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 3g0d_1_A DATA FIRST_RESID 41 DATA SEQUENCE KTYTLTDYLK NTYRLKLYSL RWISDHEYLY KXXXNILVFN 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 0.000 176.674 176.600 0.124 0.000 0.988 41 K CA 0.000 56.352 56.287 0.108 0.000 0.838 41 K CB 0.000 32.566 32.500 0.110 0.000 1.064 42 T N -1.815 112.823 114.554 0.140 0.000 2.949 42 T HA 0.371 4.726 4.350 0.008 0.000 0.287 42 T C -0.863 173.972 174.700 0.224 0.000 1.034 42 T CA -0.750 61.450 62.100 0.167 0.000 1.018 42 T CB 0.868 69.833 68.868 0.162 0.000 1.135 42 T HN 0.530 nan 8.240 nan 0.000 0.532 43 Y N 2.428 122.802 120.300 0.123 0.000 2.436 43 Y HA 0.410 4.965 4.550 0.008 0.000 0.343 43 Y C 0.840 176.903 175.900 0.272 0.000 1.008 43 Y CA -0.229 57.979 58.100 0.181 0.000 1.241 43 Y CB 0.139 38.662 38.460 0.105 0.000 1.153 43 Y HN 1.032 nan 8.280 nan 0.000 0.521 44 T N 2.643 117.192 114.554 -0.008 0.000 2.897 44 T HA 0.170 4.525 4.350 0.008 0.000 0.278 44 T C 0.864 175.477 174.700 -0.146 0.000 0.981 44 T CA -0.769 61.376 62.100 0.075 0.000 0.973 44 T CB 1.296 70.174 68.868 0.016 0.000 1.092 44 T HN 0.687 nan 8.240 nan 0.000 0.543 45 L N 0.971 121.911 121.223 -0.472 0.000 2.017 45 L HA 0.006 4.351 4.340 0.008 0.000 0.208 45 L C 2.647 179.388 176.870 -0.215 0.000 1.073 45 L CA 2.233 56.699 54.840 -0.623 0.000 0.745 45 L CB -1.571 39.983 42.059 -0.841 0.000 0.894 45 L HN 0.960 nan 8.230 nan 0.000 0.432 46 T N -0.349 114.095 114.554 -0.184 0.000 2.720 46 T HA -0.191 4.164 4.350 0.008 0.000 0.268 46 T C 1.506 176.120 174.700 -0.144 0.000 1.037 46 T CA 1.528 63.550 62.100 -0.130 0.000 1.144 46 T CB -0.433 68.376 68.868 -0.098 0.000 0.864 46 T HN 0.426 nan 8.240 nan 0.000 0.444 47 D N 0.093 120.371 120.400 -0.203 0.000 2.106 47 D HA -0.120 4.525 4.640 0.008 0.000 0.191 47 D C 1.763 177.958 176.300 -0.175 0.000 0.997 47 D CA 1.239 55.069 54.000 -0.282 0.000 0.834 47 D CB -0.475 40.010 40.800 -0.525 0.000 0.956 47 D HN 0.447 nan 8.370 nan 0.000 0.448 48 Y N 1.435 121.585 120.300 -0.250 0.000 2.114 48 Y HA -0.134 4.421 4.550 0.008 0.000 0.284 48 Y C 2.269 178.188 175.900 0.031 0.000 1.143 48 Y CA 1.278 59.407 58.100 0.049 0.000 1.135 48 Y CB -0.608 37.958 38.460 0.177 0.000 0.980 48 Y HN -0.084 nan 8.280 nan 0.000 0.499 49 L N -0.247 120.832 121.223 -0.239 0.000 2.141 49 L HA -0.162 4.183 4.340 0.008 0.000 0.209 49 L C 1.662 178.427 176.870 -0.175 0.000 1.094 49 L CA 1.545 56.212 54.840 -0.289 0.000 0.763 49 L CB -0.331 41.635 42.059 -0.156 0.000 0.908 49 L HN 0.033 nan 8.230 nan 0.000 0.437 50 K N -0.178 120.142 120.400 -0.133 0.000 2.397 50 K HA 0.108 4.433 4.320 0.008 0.000 0.202 50 K C 0.055 176.601 176.600 -0.091 0.000 1.022 50 K CA -0.121 56.107 56.287 -0.099 0.000 1.141 50 K CB -0.269 32.177 32.500 -0.090 0.000 0.857 50 K HN 0.104 nan 8.250 nan 0.000 0.514 51 N N 0.884 119.533 118.700 -0.084 0.000 2.691 51 N HA -0.254 4.491 4.740 0.008 0.000 0.277 51 N C -0.174 175.310 175.510 -0.042 0.000 1.029 51 N CA 0.369 53.410 53.050 -0.016 0.000 0.798 51 N CB -0.057 38.426 38.487 -0.006 0.000 0.922 51 N HN 0.195 nan 8.380 nan 0.000 0.562 52 T N 0.629 115.108 114.554 -0.125 0.000 2.746 52 T HA -0.153 4.202 4.350 0.008 0.000 0.267 52 T C 0.135 174.616 174.700 -0.365 0.000 1.039 52 T CA 1.319 63.227 62.100 -0.320 0.000 1.142 52 T CB -0.089 68.451 68.868 -0.548 0.000 0.866 52 T HN 0.383 nan 8.240 nan 0.000 0.444 53 Y N 1.735 122.110 120.300 0.126 0.000 2.504 53 Y HA 0.485 5.040 4.550 0.008 0.000 0.339 53 Y C 0.478 176.485 175.900 0.178 0.000 0.974 53 Y CA -1.077 57.129 58.100 0.177 0.000 1.232 53 Y CB 0.336 38.965 38.460 0.281 0.000 1.108 53 Y HN -0.105 nan 8.280 nan 0.000 0.509 54 R N 3.074 123.713 120.500 0.232 0.000 2.404 54 R HA 0.553 4.898 4.340 0.008 0.000 0.291 54 R C -1.083 175.332 176.300 0.192 0.000 1.025 54 R CA -0.683 55.524 56.100 0.177 0.000 0.991 54 R CB 0.772 31.134 30.300 0.102 0.000 1.053 54 R HN 0.677 nan 8.270 nan 0.000 0.479 55 L N 4.470 125.805 121.223 0.187 0.000 2.276 55 L HA 0.327 4.672 4.340 0.008 0.000 0.286 55 L C 0.248 177.205 176.870 0.145 0.000 1.061 55 L CA -0.249 54.705 54.840 0.190 0.000 0.807 55 L CB 1.242 43.434 42.059 0.222 0.000 1.177 55 L HN 0.438 nan 8.230 nan 0.000 0.429 56 K N 3.287 123.769 120.400 0.137 0.000 2.174 56 K HA 0.478 4.803 4.320 0.008 0.000 0.275 56 K C -0.736 175.908 176.600 0.073 0.000 1.015 56 K CA -0.729 55.614 56.287 0.092 0.000 0.933 56 K CB 1.403 33.953 32.500 0.084 0.000 1.025 56 K HN 0.227 nan 8.250 nan 0.000 0.463 57 L N 1.586 122.779 121.223 -0.049 0.000 2.347 57 L HA 0.396 4.741 4.340 0.008 0.000 0.268 57 L C -0.725 175.844 176.870 -0.502 0.000 1.019 57 L CA -0.567 54.095 54.840 -0.296 0.000 0.806 57 L CB 0.136 42.126 42.059 -0.115 0.000 1.339 57 L HN 0.453 nan 8.230 nan 0.000 0.463 58 Y N 0.067 119.753 120.300 -1.023 0.000 2.535 58 Y HA 0.455 5.010 4.550 0.008 0.000 0.341 58 Y C -0.452 175.253 175.900 -0.324 0.000 1.041 58 Y CA -0.373 57.364 58.100 -0.605 0.000 1.307 58 Y CB 1.456 39.470 38.460 -0.744 0.000 1.095 58 Y HN 0.479 nan 8.280 nan 0.000 0.534 59 S N 6.371 122.016 115.700 -0.092 0.000 2.438 59 S HA 0.722 5.197 4.470 0.008 0.000 0.293 59 S C -0.968 173.649 174.600 0.028 0.000 1.141 59 S CA -0.526 57.666 58.200 -0.013 0.000 1.080 59 S CB -0.254 62.937 63.200 -0.014 0.000 0.978 59 S HN 0.605 nan 8.310 nan 0.000 0.479 60 L N 3.247 124.433 121.223 -0.062 0.000 2.333 60 L HA 0.797 5.142 4.340 0.008 0.000 0.263 60 L C -0.539 176.261 176.870 -0.117 0.000 1.014 60 L CA -0.875 53.875 54.840 -0.151 0.000 0.820 60 L CB 1.497 43.154 42.059 -0.671 0.000 1.352 60 L HN 0.456 nan 8.230 nan 0.000 0.421 61 R N 1.143 121.618 120.500 -0.041 0.000 2.435 61 R HA 0.369 4.714 4.340 0.008 0.000 0.308 61 R C -1.631 174.718 176.300 0.083 0.000 0.975 61 R CA -0.369 55.758 56.100 0.046 0.000 0.867 61 R CB 1.119 31.480 30.300 0.103 0.000 1.171 61 R HN 0.672 nan 8.270 nan 0.000 0.470 62 W N 3.091 124.495 121.300 0.173 0.000 2.223 62 W HA 0.002 4.667 4.660 0.008 0.000 0.334 62 W C 1.102 177.705 176.519 0.140 0.000 1.334 62 W CA -0.106 57.356 57.345 0.196 0.000 1.246 62 W CB 0.290 29.859 29.460 0.182 0.000 1.184 62 W HN 0.541 nan 8.180 nan 0.000 0.563 63 I N 1.683 122.481 120.570 0.380 0.000 3.883 63 I HA -0.009 4.166 4.170 0.008 0.000 0.305 63 I C 1.114 177.325 176.117 0.158 0.000 1.247 63 I CA 0.861 62.270 61.300 0.182 0.000 1.350 63 I CB -0.081 37.948 38.000 0.048 0.000 1.194 63 I HN 0.395 nan 8.210 nan 0.000 0.441 64 S N -1.921 113.905 115.700 0.210 0.000 3.144 64 S HA 0.289 4.764 4.470 0.008 0.000 0.325 64 S C 0.361 175.056 174.600 0.158 0.000 1.161 64 S CA -0.279 57.985 58.200 0.107 0.000 0.920 64 S CB 0.589 63.750 63.200 -0.065 0.000 1.340 64 S HN -0.027 nan 8.310 nan 0.000 0.681 65 D N 0.062 120.534 120.400 0.120 0.000 2.340 65 D HA 0.132 4.777 4.640 0.008 0.000 0.220 65 D C 0.873 177.429 176.300 0.426 0.000 1.039 65 D CA 0.934 55.051 54.000 0.195 0.000 0.866 65 D CB -0.046 40.894 40.800 0.234 0.000 0.913 65 D HN 0.670 nan 8.370 nan 0.000 0.523 66 H N -2.343 116.944 119.070 0.362 0.000 3.474 66 H HA 0.386 4.947 4.556 0.008 0.000 0.259 66 H C -0.627 174.928 175.328 0.378 0.000 1.164 66 H CA -0.369 55.956 56.048 0.462 0.000 1.078 66 H CB -0.473 29.526 29.762 0.395 0.000 1.957 66 H HN -0.023 nan 8.280 nan 0.000 0.765 67 E N 1.215 121.595 120.200 0.299 0.000 2.272 67 E HA 0.469 4.824 4.350 0.008 0.000 0.269 67 E C -1.512 175.235 176.600 0.246 0.000 0.877 67 E CA -1.004 55.471 56.400 0.125 0.000 0.755 67 E CB 2.721 32.393 29.700 -0.047 0.000 1.192 67 E HN 0.322 nan 8.360 nan 0.000 0.422 68 Y N 0.163 120.465 120.300 0.004 0.000 2.615 68 Y HA 0.656 5.212 4.550 0.009 0.000 0.341 68 Y C -1.781 174.104 175.900 -0.024 0.000 1.089 68 Y CA -1.443 56.579 58.100 -0.129 0.000 1.049 68 Y CB 0.896 38.966 38.460 -0.651 0.000 1.296 68 Y HN 0.368 nan 8.280 nan 0.000 0.470 69 L N 2.924 124.312 121.223 0.275 0.000 2.322 69 L HA 0.514 4.859 4.340 0.008 0.000 0.279 69 L C -1.292 175.832 176.870 0.424 0.000 1.036 69 L CA -0.916 54.078 54.840 0.257 0.000 0.807 69 L CB 1.571 43.718 42.059 0.146 0.000 1.226 69 L HN 0.793 nan 8.230 nan 0.000 0.433 70 Y N 2.931 123.403 120.300 0.287 0.000 2.534 70 Y HA 0.388 4.943 4.550 0.008 0.000 0.345 70 Y C -0.444 175.538 175.900 0.136 0.000 1.031 70 Y CA -1.009 57.176 58.100 0.142 0.000 1.022 70 Y CB 1.846 40.291 38.460 -0.025 0.000 1.292 70 Y HN 0.469 nan 8.280 nan 0.000 0.459 76 I N 2.249 122.762 120.570 -0.096 0.000 2.468 76 I HA 0.400 4.575 4.170 0.008 0.000 0.284 76 I C -0.977 175.138 176.117 -0.003 0.000 1.038 76 I CA -0.566 60.685 61.300 -0.081 0.000 1.083 76 I CB 1.315 39.203 38.000 -0.186 0.000 1.223 76 I HN 0.225 nan 8.210 nan 0.000 0.443 77 L N 6.516 127.757 121.223 0.029 0.000 2.334 77 L HA 0.531 4.876 4.340 0.008 0.000 0.272 77 L C 0.240 177.085 176.870 -0.043 0.000 1.020 77 L CA -0.725 54.072 54.840 -0.071 0.000 0.812 77 L CB 1.643 43.527 42.059 -0.292 0.000 1.264 77 L HN 0.252 nan 8.230 nan 0.000 0.439 78 V N 1.227 121.049 119.914 -0.153 0.000 2.412 78 V HA 0.270 4.395 4.120 0.008 0.000 0.270 78 V C -0.094 175.870 176.094 -0.216 0.000 1.169 78 V CA -0.553 61.661 62.300 -0.142 0.000 1.319 78 V CB -1.428 30.322 31.823 -0.121 0.000 1.467 78 V HN 0.415 nan 8.190 nan 0.000 0.535 79 F N 1.704 121.447 119.950 -0.344 0.000 2.642 79 F HA -0.026 4.506 4.527 0.009 0.000 0.371 79 F C 1.122 176.573 175.800 -0.582 0.000 1.120 79 F CA 0.803 58.500 58.000 -0.504 0.000 1.331 79 F CB 0.048 38.569 39.000 -0.798 0.000 1.044 79 F HN 0.359 nan 8.300 nan 0.000 0.594 80 N N 0.958 119.567 118.700 -0.152 0.000 2.498 80 N HA 0.483 5.228 4.740 0.008 0.000 0.287 80 N C 0.206 175.615 175.510 -0.169 0.000 1.097 80 N CA -0.188 52.793 53.050 -0.115 0.000 0.973 80 N CB 1.192 39.698 38.487 0.031 0.000 1.153 80 N HN 0.668 nan 8.380 nan 0.000 0.472 81 A N 2.040 124.764 122.820 -0.160 0.000 2.251 81 A HA 0.052 4.377 4.320 0.008 0.000 0.209 81 A C 1.320 178.543 177.584 -0.602 0.000 1.187 81 A CA 0.518 52.375 52.037 -0.300 0.000 0.823 81 A CB -0.100 18.744 19.000 -0.260 0.000 0.846 81 A HN 0.731 nan 8.150 nan 0.000 0.486 82 E N -0.906 118.980 120.200 -0.522 0.000 2.083 82 E HA 0.001 4.356 4.350 0.008 0.000 0.193 82 E C 1.024 177.300 176.600 -0.540 0.000 0.950 82 E CA 1.140 57.118 56.400 -0.703 0.000 0.849 82 E CB -0.241 28.695 29.700 -1.272 0.000 0.827 82 E HN 0.758 nan 8.360 nan 0.000 0.465 83 Y N -0.631 119.647 120.300 -0.036 0.000 2.481 83 Y HA 0.360 4.915 4.550 0.008 0.000 0.258 83 Y C 1.638 177.529 175.900 -0.015 0.000 1.103 83 Y CA 0.339 58.426 58.100 -0.022 0.000 1.287 83 Y CB 0.407 38.859 38.460 -0.013 0.000 1.108 83 Y HN 0.236 nan 8.280 nan 0.000 0.529 84 G N 1.032 109.888 108.800 0.094 0.000 2.179 84 G HA2 -0.335 3.630 3.960 0.008 0.000 0.260 84 G HA3 -0.335 3.630 3.960 0.008 0.000 0.260 84 G C 0.135 175.125 174.900 0.149 0.000 0.977 84 G CA 0.246 45.420 45.100 0.124 0.000 0.641 84 G HN 0.508 nan 8.290 nan 0.000 0.533 85 N N 0.421 119.183 118.700 0.103 0.000 2.424 85 N HA 0.560 5.305 4.740 0.008 0.000 0.257 85 N C -0.169 175.254 175.510 -0.145 0.000 1.250 85 N CA 0.636 53.686 53.050 -0.001 0.000 0.946 85 N CB 1.382 39.877 38.487 0.012 0.000 1.175 85 N HN 1.014 nan 8.380 nan 0.000 0.477 86 S N -1.633 113.908 115.700 -0.266 0.000 2.626 86 S HA 0.363 4.838 4.470 0.008 0.000 0.275 86 S C -1.011 173.428 174.600 -0.268 0.000 1.175 86 S CA -1.032 56.915 58.200 -0.421 0.000 0.982 86 S CB 0.271 62.835 63.200 -1.061 0.000 1.093 86 S HN 0.757 nan 8.310 nan 0.000 0.472 87 S N 1.846 117.444 115.700 -0.171 0.000 2.480 87 S HA 0.645 5.120 4.470 0.008 0.000 0.286 87 S C 0.164 174.720 174.600 -0.073 0.000 1.180 87 S CA -0.829 57.310 58.200 -0.101 0.000 1.075 87 S CB 0.961 64.131 63.200 -0.050 0.000 0.996 87 S HN 0.856 nan 8.310 nan 0.000 0.487 88 V N 4.190 124.061 119.914 -0.073 0.000 2.599 88 V HA 0.024 4.149 4.120 0.008 0.000 0.300 88 V C 0.738 176.843 176.094 0.017 0.000 1.034 88 V CA 0.384 62.656 62.300 -0.046 0.000 1.115 88 V CB -0.504 31.275 31.823 -0.074 0.000 0.934 88 V HN 1.004 nan 8.190 nan 0.000 0.485 89 F N 4.322 124.199 119.950 -0.121 0.000 2.317 89 F HA 0.370 4.902 4.527 0.008 0.000 0.290 89 F C 0.604 176.326 175.800 -0.130 0.000 1.075 89 F CA 0.462 58.397 58.000 -0.108 0.000 1.380 89 F CB 0.610 39.557 39.000 -0.089 0.000 1.093 89 F HN 0.282 nan 8.300 nan 0.000 0.524 90 L N 0.792 121.994 121.223 -0.035 0.000 2.439 90 L HA 0.301 4.646 4.340 0.008 0.000 0.270 90 L C -0.775 175.999 176.870 -0.161 0.000 0.972 90 L CA -0.629 54.110 54.840 -0.169 0.000 0.836 90 L CB 1.825 43.792 42.059 -0.152 0.000 1.255 90 L HN -0.188 nan 8.230 nan 0.000 0.404 91 E N 1.426 121.509 120.200 -0.196 0.000 2.415 91 E HA 0.017 4.372 4.350 0.008 0.000 0.262 91 E C 0.910 177.419 176.600 -0.153 0.000 1.038 91 E CA 0.047 56.352 56.400 -0.160 0.000 0.921 91 E CB 0.504 30.107 29.700 -0.161 0.000 0.950 91 E HN 0.577 nan 8.360 nan 0.000 0.438 92 N N 0.638 119.273 118.700 -0.107 0.000 2.192 92 N HA -0.207 4.538 4.740 0.008 0.000 0.188 92 N C 0.449 175.916 175.510 -0.071 0.000 1.013 92 N CA 1.535 54.537 53.050 -0.080 0.000 0.863 92 N CB -0.304 38.147 38.487 -0.060 0.000 0.990 92 N HN 0.267 nan 8.380 nan 0.000 0.430 93 S N -2.626 113.017 115.700 -0.094 0.000 2.525 93 S HA 0.322 4.797 4.470 0.008 0.000 0.242 93 S C 0.532 175.038 174.600 -0.157 0.000 1.164 93 S CA -0.755 57.394 58.200 -0.085 0.000 1.154 93 S CB 0.031 63.196 63.200 -0.059 0.000 0.875 93 S HN 0.146 nan 8.310 nan 0.000 0.482 94 T N 0.930 115.309 114.554 -0.293 0.000 2.942 94 T HA 0.148 4.503 4.350 0.008 0.000 0.265 94 T C 0.038 174.352 174.700 -0.642 0.000 1.062 94 T CA 0.899 62.666 62.100 -0.556 0.000 1.139 94 T CB -0.363 67.960 68.868 -0.908 0.000 0.883 94 T HN 0.593 nan 8.240 nan 0.000 0.468 95 F N 1.558 121.436 119.950 -0.121 0.000 2.983 95 F HA 0.348 4.880 4.527 0.009 0.000 0.307 95 F C 1.202 177.010 175.800 0.013 0.000 1.218 95 F CA -1.387 56.570 58.000 -0.071 0.000 1.323 95 F CB -0.203 38.668 39.000 -0.214 0.000 0.989 95 F HN 0.011 nan 8.300 nan 0.000 0.509 96 D N 1.108 121.562 120.400 0.089 0.000 2.144 96 D HA -0.156 4.489 4.640 0.008 0.000 0.200 96 D C 0.892 177.248 176.300 0.093 0.000 0.978 96 D CA 1.396 55.437 54.000 0.069 0.000 0.833 96 D CB 0.199 41.007 40.800 0.012 0.000 0.961 96 D HN 0.417 nan 8.370 nan 0.000 0.470 97 E N -0.890 119.376 120.200 0.110 0.000 2.411 97 E HA 0.110 4.465 4.350 0.008 0.000 0.228 97 E C 0.178 176.883 176.600 0.175 0.000 1.169 97 E CA -0.408 56.050 56.400 0.096 0.000 1.421 97 E CB -0.048 29.688 29.700 0.060 0.000 1.333 97 E HN 0.379 nan 8.360 nan 0.000 0.434 98 F N 0.240 120.218 119.950 0.047 0.000 2.317 98 F HA 0.171 4.703 4.527 0.008 0.000 0.290 98 F C 1.778 177.522 175.800 -0.094 0.000 1.075 98 F CA 1.263 59.287 58.000 0.040 0.000 1.380 98 F CB 0.597 39.641 39.000 0.074 0.000 1.093 98 F HN 0.300 nan 8.300 nan 0.000 0.524 99 G N -0.407 108.283 108.800 -0.182 0.000 2.217 99 G HA2 -0.217 3.748 3.960 0.008 0.000 0.246 99 G HA3 -0.217 3.748 3.960 0.008 0.000 0.246 99 G C 0.066 174.595 174.900 -0.618 0.000 0.990 99 G CA 0.230 45.064 45.100 -0.444 0.000 0.627 99 G HN 0.497 nan 8.290 nan 0.000 0.522 100 H N -0.193 118.764 119.070 -0.190 0.000 2.797 100 H HA 0.641 5.202 4.556 0.008 0.000 0.372 100 H C -0.644 174.755 175.328 0.118 0.000 1.168 100 H CA -0.071 55.922 56.048 -0.091 0.000 1.163 100 H CB 1.748 31.258 29.762 -0.422 0.000 1.778 100 H HN 0.105 nan 8.280 nan 0.000 0.551 101 S N 1.769 117.607 115.700 0.230 0.000 2.416 101 S HA 0.227 4.702 4.470 0.008 0.000 0.287 101 S C 0.013 174.707 174.600 0.157 0.000 1.139 101 S CA -0.715 57.579 58.200 0.156 0.000 1.058 101 S CB -0.870 62.398 63.200 0.113 0.000 0.967 101 S HN 0.275 nan 8.310 nan 0.000 0.495 102 I N 5.587 126.201 120.570 0.074 0.000 2.436 102 I HA 0.184 4.359 4.170 0.008 0.000 0.289 102 I C 1.408 177.527 176.117 0.002 0.000 1.083 102 I CA -0.031 61.270 61.300 0.001 0.000 1.372 102 I CB 0.764 38.644 38.000 -0.200 0.000 1.408 102 I HN 0.606 nan 8.210 nan 0.000 0.516 103 N N 3.502 122.205 118.700 0.005 0.000 2.290 103 N HA -0.049 4.696 4.740 0.008 0.000 0.179 103 N C -0.091 175.371 175.510 -0.080 0.000 1.016 103 N CA 1.127 54.134 53.050 -0.070 0.000 0.871 103 N CB 0.349 38.758 38.487 -0.131 0.000 0.987 103 N HN 0.668 nan 8.380 nan 0.000 0.431 104 D N -2.322 118.059 120.400 -0.031 0.000 2.623 104 D HA 0.178 4.823 4.640 0.008 0.000 0.241 104 D C -1.545 174.800 176.300 0.074 0.000 1.241 104 D CA -0.559 53.434 54.000 -0.012 0.000 0.788 104 D CB 0.834 41.592 40.800 -0.070 0.000 1.413 104 D HN 0.098 nan 8.370 nan 0.000 0.429 105 Y N -0.737 119.572 120.300 0.014 0.000 2.630 105 Y HA 0.809 5.364 4.550 0.009 0.000 0.337 105 Y C -0.832 175.143 175.900 0.125 0.000 1.051 105 Y CA -1.048 57.080 58.100 0.046 0.000 1.121 105 Y CB 1.861 40.331 38.460 0.016 0.000 1.299 105 Y HN 0.152 nan 8.280 nan 0.000 0.498 106 S N 2.652 118.541 115.700 0.315 0.000 2.614 106 S HA 0.494 4.969 4.470 0.008 0.000 0.259 106 S C -1.568 173.328 174.600 0.493 0.000 1.118 106 S CA -0.746 57.648 58.200 0.324 0.000 1.065 106 S CB -0.017 63.374 63.200 0.318 0.000 1.121 106 S HN 0.637 nan 8.310 nan 0.000 0.458 107 I N 4.408 125.172 120.570 0.324 0.000 2.519 107 I HA 0.277 4.452 4.170 0.008 0.000 0.287 107 I C 1.255 177.198 176.117 -0.290 0.000 1.047 107 I CA -0.298 61.075 61.300 0.122 0.000 1.381 107 I CB 0.988 39.049 38.000 0.102 0.000 1.417 107 I HN 0.791 nan 8.210 nan 0.000 0.540 108 S N 5.936 121.175 115.700 -0.769 0.000 2.579 108 S HA 0.200 4.675 4.470 0.008 0.000 0.275 108 S C -1.784 172.537 174.600 -0.464 0.000 1.345 108 S CA -0.885 56.566 58.200 -1.248 0.000 1.031 108 S CB 0.763 63.134 63.200 -1.381 0.000 0.892 108 S HN 0.437 nan 8.310 nan 0.000 0.529 109 P HA -0.147 nan 4.420 nan 0.000 0.217 109 P C 0.875 178.119 177.300 -0.092 0.000 1.148 109 P CA 1.515 64.534 63.100 -0.135 0.000 0.828 109 P CB -0.115 31.526 31.700 -0.097 0.000 0.783 110 D N -1.974 118.371 120.400 -0.092 0.000 2.347 110 D HA 0.040 4.685 4.640 0.008 0.000 0.213 110 D C 1.438 177.731 176.300 -0.011 0.000 0.985 110 D CA 0.895 54.880 54.000 -0.026 0.000 0.879 110 D CB -1.077 39.739 40.800 0.026 0.000 0.919 110 D HN 0.213 nan 8.370 nan 0.000 0.526 111 G N 0.381 109.155 108.800 -0.042 0.000 2.148 111 G HA2 -0.372 3.593 3.960 0.008 0.000 0.254 111 G HA3 -0.372 3.593 3.960 0.008 0.000 0.254 111 G C 0.908 175.834 174.900 0.044 0.000 0.981 111 G CA 0.521 45.646 45.100 0.042 0.000 0.670 111 G HN 0.462 nan 8.290 nan 0.000 0.528 112 Q N -1.567 118.182 119.800 -0.085 0.000 2.354 112 Q HA 0.369 4.714 4.340 0.008 0.000 0.203 112 Q C 0.122 175.728 176.000 -0.657 0.000 0.933 112 Q CA 0.674 56.264 55.803 -0.356 0.000 0.901 112 Q CB 0.427 28.918 28.738 -0.411 0.000 1.007 112 Q HN 0.572 nan 8.270 nan 0.000 0.495 113 F N -0.315 119.603 119.950 -0.054 0.000 2.578 113 F HA 0.467 5.000 4.527 0.008 0.000 0.311 113 F C -0.573 175.287 175.800 0.100 0.000 1.094 113 F CA -1.088 56.940 58.000 0.047 0.000 0.923 113 F CB 1.750 40.806 39.000 0.094 0.000 1.230 113 F HN -0.180 nan 8.300 nan 0.000 0.450 114 I N 3.562 124.421 120.570 0.483 0.000 2.441 114 I HA 0.568 4.743 4.170 0.008 0.000 0.295 114 I C -1.645 174.798 176.117 0.544 0.000 0.994 114 I CA -1.099 60.483 61.300 0.470 0.000 1.144 114 I CB 1.659 39.877 38.000 0.363 0.000 1.314 114 I HN 0.610 nan 8.210 nan 0.000 0.445 115 L N 8.148 129.713 121.223 0.571 0.000 2.282 115 L HA 0.532 4.877 4.340 0.008 0.000 0.288 115 L C -1.442 175.587 176.870 0.266 0.000 1.033 115 L CA -0.151 54.927 54.840 0.397 0.000 0.807 115 L CB 1.175 43.410 42.059 0.293 0.000 1.209 115 L HN 0.510 nan 8.230 nan 0.000 0.423 116 L N 5.016 126.346 121.223 0.179 0.000 2.296 116 L HA 0.546 4.891 4.340 0.008 0.000 0.286 116 L C -0.196 176.784 176.870 0.184 0.000 1.023 116 L CA -0.406 54.457 54.840 0.039 0.000 0.812 116 L CB 1.574 43.437 42.059 -0.327 0.000 1.223 116 L HN 0.619 nan 8.230 nan 0.000 0.421 117 E N 3.706 123.972 120.200 0.111 0.000 2.151 117 E HA 0.472 4.827 4.350 0.008 0.000 0.275 117 E C -1.635 174.979 176.600 0.024 0.000 0.936 117 E CA -0.515 55.838 56.400 -0.080 0.000 0.777 117 E CB 1.276 30.971 29.700 -0.008 0.000 1.108 117 E HN 0.473 nan 8.360 nan 0.000 0.401 118 Y N 1.480 121.629 120.300 -0.252 0.000 2.829 118 Y HA 0.437 4.993 4.550 0.008 0.000 0.322 118 Y C -0.224 175.595 175.900 -0.134 0.000 1.357 118 Y CA -1.597 56.435 58.100 -0.113 0.000 1.081 118 Y CB 0.303 38.765 38.460 0.004 0.000 1.339 118 Y HN 0.505 nan 8.280 nan 0.000 0.469 119 N N -0.234 118.468 118.700 0.003 0.000 2.727 119 N HA -0.299 4.446 4.740 0.008 0.000 0.249 119 N C -1.117 174.349 175.510 -0.073 0.000 1.048 119 N CA 1.038 54.043 53.050 -0.075 0.000 0.714 119 N CB -1.510 36.836 38.487 -0.235 0.000 0.959 119 N HN 0.835 nan 8.380 nan 0.000 0.544 120 Y N 0.060 120.285 120.300 -0.126 0.000 2.496 120 Y HA 0.321 4.876 4.550 0.008 0.000 0.334 120 Y C -0.080 175.773 175.900 -0.079 0.000 1.080 120 Y CA -0.198 57.818 58.100 -0.141 0.000 1.355 120 Y CB 0.691 39.024 38.460 -0.212 0.000 1.193 120 Y HN -0.003 nan 8.280 nan 0.000 0.523 121 V N 8.250 127.810 119.914 -0.590 0.000 2.349 121 V HA 0.192 4.317 4.120 0.008 0.000 0.284 121 V C -0.179 175.513 176.094 -0.671 0.000 1.014 121 V CA -1.368 60.619 62.300 -0.521 0.000 0.826 121 V CB 1.149 32.825 31.823 -0.244 0.000 1.009 121 V HN 0.753 nan 8.190 nan 0.000 0.431 122 K N 3.884 123.835 120.400 -0.749 0.000 2.485 122 K HA 0.117 4.442 4.320 0.008 0.000 0.277 122 K C 0.463 176.889 176.600 -0.290 0.000 0.990 122 K CA 0.430 56.473 56.287 -0.408 0.000 0.994 122 K CB 0.990 33.426 32.500 -0.107 0.000 0.906 122 K HN 0.806 nan 8.250 nan 0.000 0.488 123 Q N 2.893 122.517 119.800 -0.292 0.000 2.729 123 Q HA 0.180 4.525 4.340 0.008 0.000 0.228 123 Q C -0.074 175.684 176.000 -0.405 0.000 1.021 123 Q CA -0.406 55.045 55.803 -0.586 0.000 0.561 123 Q CB 0.093 28.334 28.738 -0.829 0.000 3.921 123 Q HN 0.725 nan 8.270 nan 0.000 0.430 124 W N 0.262 121.556 121.300 -0.010 0.000 1.833 124 W HA 0.368 5.033 4.660 0.008 0.000 0.593 124 W C 1.800 178.304 176.519 -0.026 0.000 1.936 124 W CA -0.721 56.645 57.345 0.034 0.000 2.192 124 W CB -0.125 29.326 29.460 -0.015 0.000 2.633 124 W HN 0.307 nan 8.180 nan 0.000 0.783 125 R N -0.571 120.024 120.500 0.159 0.000 2.091 125 R HA -0.170 4.175 4.340 0.008 0.000 0.238 125 R C 1.712 177.841 176.300 -0.286 0.000 1.136 125 R CA 1.889 57.902 56.100 -0.144 0.000 0.959 125 R CB -0.413 29.660 30.300 -0.379 0.000 0.856 125 R HN 0.516 nan 8.270 nan 0.000 0.437 126 H N -1.444 117.700 119.070 0.124 0.000 2.927 126 H HA 0.149 4.710 4.556 0.009 0.000 0.255 126 H C 0.603 176.012 175.328 0.136 0.000 0.974 126 H CA 0.451 56.594 56.048 0.158 0.000 1.199 126 H CB 0.315 30.146 29.762 0.115 0.000 1.447 126 H HN 0.144 nan 8.280 nan 0.000 0.467 127 S N 1.324 117.010 115.700 -0.023 0.000 2.576 127 S HA 0.375 4.850 4.470 0.008 0.000 0.276 127 S C -0.286 174.188 174.600 -0.211 0.000 1.339 127 S CA -0.462 57.409 58.200 -0.548 0.000 1.039 127 S CB 0.728 63.144 63.200 -1.306 0.000 0.902 127 S HN 0.439 nan 8.310 nan 0.000 0.516 128 Y N -2.317 117.855 120.300 -0.214 0.000 2.779 128 Y HA 0.711 5.266 4.550 0.008 0.000 0.340 128 Y C -0.885 175.002 175.900 -0.022 0.000 1.252 128 Y CA -1.196 56.794 58.100 -0.182 0.000 1.072 128 Y CB 0.711 39.066 38.460 -0.174 0.000 1.343 128 Y HN 0.595 nan 8.280 nan 0.000 0.450 129 T N 1.298 115.942 114.554 0.151 0.000 2.887 129 T HA 0.922 5.277 4.350 0.008 0.000 0.288 129 T C -1.023 173.775 174.700 0.163 0.000 1.021 129 T CA 0.035 62.219 62.100 0.141 0.000 1.000 129 T CB 1.335 70.211 68.868 0.013 0.000 1.034 129 T HN 1.168 nan 8.240 nan 0.000 0.467 130 A N 1.648 124.535 122.820 0.112 0.000 2.610 130 A HA 0.779 5.104 4.320 0.008 0.000 0.291 130 A C -0.714 176.621 177.584 -0.416 0.000 1.086 130 A CA -0.737 51.192 52.037 -0.180 0.000 0.677 130 A CB 1.423 20.273 19.000 -0.251 0.000 1.278 130 A HN 0.653 nan 8.150 nan 0.000 0.414 131 S N -0.379 114.866 115.700 -0.757 0.000 2.617 131 S HA 0.758 5.233 4.470 0.008 0.000 0.283 131 S C -1.395 172.523 174.600 -1.137 0.000 1.189 131 S CA 0.021 57.676 58.200 -0.909 0.000 1.036 131 S CB 0.465 62.882 63.200 -1.307 0.000 1.014 131 S HN 0.442 nan 8.310 nan 0.000 0.522 132 Y N 0.197 120.277 120.300 -0.367 0.000 2.457 132 Y HA 0.435 4.991 4.550 0.008 0.000 0.343 132 Y C -0.318 175.629 175.900 0.078 0.000 0.994 132 Y CA -0.927 57.113 58.100 -0.100 0.000 1.031 132 Y CB 1.776 40.127 38.460 -0.182 0.000 1.246 132 Y HN 0.501 nan 8.280 nan 0.000 0.449 133 D N 2.910 123.543 120.400 0.387 0.000 2.575 133 D HA 0.548 5.194 4.640 0.008 0.000 0.236 133 D C -0.891 175.556 176.300 0.246 0.000 1.075 133 D CA -0.353 53.836 54.000 0.314 0.000 0.860 133 D CB 2.762 43.837 40.800 0.459 0.000 1.475 133 D HN 0.406 nan 8.370 nan 0.000 0.474 134 I N 1.643 122.342 120.570 0.215 0.000 2.377 134 I HA 0.260 4.435 4.170 0.008 0.000 0.293 134 I C -0.777 175.548 176.117 0.347 0.000 0.987 134 I CA -0.955 60.507 61.300 0.269 0.000 1.185 134 I CB 1.382 39.488 38.000 0.178 0.000 1.341 134 I HN 0.228 nan 8.210 nan 0.000 0.455 135 Y N 5.211 125.686 120.300 0.293 0.000 2.331 135 Y HA 0.270 4.825 4.550 0.008 0.000 0.338 135 Y C -0.071 176.021 175.900 0.320 0.000 0.976 135 Y CA -0.613 57.658 58.100 0.284 0.000 1.137 135 Y CB 1.057 39.696 38.460 0.298 0.000 1.172 135 Y HN 0.502 nan 8.280 nan 0.000 0.478 136 D N 6.177 126.581 120.400 0.008 0.000 2.339 136 D HA 0.058 4.704 4.640 0.008 0.000 0.256 136 D C 0.636 176.821 176.300 -0.192 0.000 1.214 136 D CA 0.439 54.423 54.000 -0.026 0.000 0.877 136 D CB 1.072 41.858 40.800 -0.023 0.000 1.111 136 D HN 0.867 nan 8.370 nan 0.000 0.478 137 L N 3.875 125.030 121.223 -0.114 0.000 2.179 137 L HA -0.092 4.253 4.340 0.008 0.000 0.208 137 L C 2.151 178.933 176.870 -0.146 0.000 1.096 137 L CA 0.414 55.233 54.840 -0.033 0.000 0.779 137 L CB -0.141 41.863 42.059 -0.092 0.000 0.922 137 L HN 0.399 nan 8.230 nan 0.000 0.443 138 N N 0.397 118.959 118.700 -0.230 0.000 2.135 138 N HA -0.140 4.605 4.740 0.008 0.000 0.186 138 N C 1.524 176.948 175.510 -0.145 0.000 1.027 138 N CA 1.209 54.149 53.050 -0.184 0.000 0.849 138 N CB -0.021 38.344 38.487 -0.203 0.000 1.002 138 N HN 0.368 nan 8.380 nan 0.000 0.425 139 K N 0.663 120.966 120.400 -0.160 0.000 2.400 139 K HA 0.197 4.522 4.320 0.008 0.000 0.194 139 K C -0.052 176.448 176.600 -0.166 0.000 1.033 139 K CA -0.144 56.061 56.287 -0.136 0.000 1.021 139 K CB 0.439 32.870 32.500 -0.115 0.000 0.808 139 K HN 0.056 nan 8.250 nan 0.000 0.505 140 R N 1.845 122.216 120.500 -0.215 0.000 3.322 140 R HA -0.201 4.144 4.340 0.008 0.000 0.253 140 R C -0.718 175.340 176.300 -0.403 0.000 0.987 140 R CA 0.907 56.872 56.100 -0.225 0.000 0.666 140 R CB -2.036 28.259 30.300 -0.009 0.000 1.072 140 R HN 0.553 nan 8.270 nan 0.000 0.447 141 Q N -0.927 118.468 119.800 -0.675 0.000 2.418 141 Q HA 0.482 4.827 4.340 0.008 0.000 0.282 141 Q C -0.727 175.008 176.000 -0.441 0.000 1.044 141 Q CA -1.290 54.252 55.803 -0.434 0.000 0.813 141 Q CB 1.364 30.001 28.738 -0.169 0.000 1.428 141 Q HN -0.074 nan 8.270 nan 0.000 0.402 142 L N 2.168 123.322 121.223 -0.114 0.000 2.426 142 L HA 0.274 4.619 4.340 0.008 0.000 0.271 142 L C 0.176 177.074 176.870 0.047 0.000 1.169 142 L CA -0.081 54.806 54.840 0.078 0.000 0.836 142 L CB -0.281 41.929 42.059 0.252 0.000 1.112 142 L HN 0.687 nan 8.230 nan 0.000 0.465 143 I N 2.156 122.773 120.570 0.079 0.000 2.496 143 I HA 0.059 4.234 4.170 0.008 0.000 0.285 143 I C 1.344 177.487 176.117 0.043 0.000 1.080 143 I CA 0.444 61.773 61.300 0.049 0.000 1.404 143 I CB 1.113 39.138 38.000 0.041 0.000 1.403 143 I HN 0.762 nan 8.210 nan 0.000 0.539 144 T N 0.578 115.143 114.554 0.019 0.000 3.003 144 T HA 0.180 4.535 4.350 0.008 0.000 0.261 144 T C 0.286 174.977 174.700 -0.015 0.000 1.003 144 T CA -0.398 61.708 62.100 0.009 0.000 0.917 144 T CB -0.060 68.814 68.868 0.010 0.000 1.084 144 T HN 0.567 nan 8.240 nan 0.000 0.522 145 E N 2.148 122.336 120.200 -0.021 0.000 2.175 145 E HA 0.259 4.614 4.350 0.008 0.000 0.278 145 E C -0.794 175.773 176.600 -0.054 0.000 0.969 145 E CA -0.580 55.799 56.400 -0.035 0.000 0.796 145 E CB 0.833 30.516 29.700 -0.028 0.000 1.104 145 E HN 0.151 nan 8.360 nan 0.000 0.395 146 E N 1.462 121.619 120.200 -0.072 0.000 2.230 146 E HA -0.216 4.139 4.350 0.008 0.000 0.206 146 E C -0.592 175.935 176.600 -0.121 0.000 1.309 146 E CA 0.592 56.934 56.400 -0.098 0.000 0.697 146 E CB -1.365 28.282 29.700 -0.088 0.000 1.146 146 E HN 0.591 nan 8.360 nan 0.000 0.363 147 R N -0.091 120.329 120.500 -0.133 0.000 2.582 147 R HA 0.388 4.733 4.340 0.008 0.000 0.271 147 R C 1.055 177.191 176.300 -0.274 0.000 1.078 147 R CA -0.559 55.448 56.100 -0.155 0.000 1.127 147 R CB 0.558 30.795 30.300 -0.105 0.000 1.038 147 R HN 0.163 nan 8.270 nan 0.000 0.500 148 I N 4.966 125.335 120.570 -0.336 0.000 2.587 148 I HA 0.027 4.202 4.170 0.008 0.000 0.284 148 I C -1.518 174.302 176.117 -0.496 0.000 1.134 148 I CA -1.409 59.531 61.300 -0.600 0.000 1.410 148 I CB 0.258 37.882 38.000 -0.628 0.000 1.392 148 I HN 0.345 nan 8.210 nan 0.000 0.545 149 P HA 0.010 nan 4.420 nan 0.000 0.269 149 P C -0.713 176.389 177.300 -0.331 0.000 1.217 149 P CA -0.241 62.487 63.100 -0.619 0.000 0.783 149 P CB 0.413 31.327 31.700 -1.310 0.000 0.898 150 N N 1.202 119.796 118.700 -0.177 0.000 2.415 150 N HA -0.012 4.733 4.740 0.008 0.000 0.248 150 N C 0.387 175.987 175.510 0.151 0.000 1.271 150 N CA 0.216 53.232 53.050 -0.057 0.000 0.913 150 N CB -0.685 37.775 38.487 -0.045 0.000 1.129 150 N HN 0.430 nan 8.380 nan 0.000 0.444 151 N N -1.694 117.061 118.700 0.091 0.000 2.776 151 N HA -0.163 4.583 4.740 0.008 0.000 0.249 151 N C -1.077 174.597 175.510 0.273 0.000 1.111 151 N CA 0.522 53.660 53.050 0.148 0.000 0.711 151 N CB -1.260 37.304 38.487 0.127 0.000 1.065 151 N HN 0.450 nan 8.380 nan 0.000 0.556 152 T N 0.391 115.121 114.554 0.292 0.000 2.870 152 T HA 0.064 4.419 4.350 0.008 0.000 0.300 152 T C 1.445 176.334 174.700 0.314 0.000 0.989 152 T CA 0.017 62.329 62.100 0.353 0.000 1.139 152 T CB 1.252 70.257 68.868 0.229 0.000 0.920 152 T HN 0.178 nan 8.240 nan 0.000 0.537 153 Q N 2.040 122.005 119.800 0.276 0.000 2.163 153 Q HA 0.111 4.456 4.340 0.008 0.000 0.198 153 Q C 0.238 176.419 176.000 0.302 0.000 0.954 153 Q CA 0.638 56.613 55.803 0.286 0.000 0.851 153 Q CB 0.609 29.477 28.738 0.218 0.000 0.928 153 Q HN 0.702 nan 8.270 nan 0.000 0.459 154 W N 0.549 121.831 121.300 -0.030 0.000 3.573 154 W HA 0.447 5.112 4.660 0.008 0.000 0.306 154 W C -1.968 174.475 176.519 -0.127 0.000 1.227 154 W CA -0.891 56.386 57.345 -0.114 0.000 1.212 154 W CB 1.460 30.781 29.460 -0.232 0.000 1.331 154 W HN -0.232 nan 8.180 nan 0.000 0.524 155 V N 1.921 121.195 119.914 -1.066 0.000 2.789 155 V HA 0.892 5.017 4.120 0.008 0.000 0.311 155 V C -1.041 174.420 176.094 -1.055 0.000 1.073 155 V CA -0.555 61.193 62.300 -0.919 0.000 0.921 155 V CB 1.342 32.529 31.823 -1.061 0.000 1.009 155 V HN 0.549 nan 8.190 nan 0.000 0.426 156 T N 3.781 118.028 114.554 -0.512 0.000 3.041 156 T HA 0.538 4.893 4.350 0.008 0.000 0.321 156 T C -1.182 173.515 174.700 -0.004 0.000 1.184 156 T CA -0.337 61.648 62.100 -0.193 0.000 1.050 156 T CB 0.924 69.925 68.868 0.221 0.000 1.159 156 T HN 0.777 nan 8.240 nan 0.000 0.469 157 W N 3.178 124.508 121.300 0.049 0.000 2.126 157 W HA 0.435 5.100 4.660 0.009 0.000 0.346 157 W C 1.297 177.621 176.519 -0.324 0.000 1.279 157 W CA -0.567 56.744 57.345 -0.057 0.000 1.259 157 W CB 0.503 29.932 29.460 -0.052 0.000 1.133 157 W HN 0.773 nan 8.180 nan 0.000 0.592 158 S N 1.016 116.377 115.700 -0.565 0.000 2.600 158 S HA 0.189 4.664 4.470 0.008 0.000 0.265 158 S C -1.849 172.462 174.600 -0.482 0.000 1.325 158 S CA -1.005 56.351 58.200 -1.407 0.000 1.002 158 S CB 0.982 63.230 63.200 -1.586 0.000 0.921 158 S HN 0.271 nan 8.310 nan 0.000 0.554 159 P HA 0.047 nan 4.420 nan 0.000 0.221 159 P C 0.212 177.457 177.300 -0.091 0.000 1.150 159 P CA 0.712 63.758 63.100 -0.089 0.000 0.800 159 P CB -0.193 31.499 31.700 -0.014 0.000 0.787 160 V N -6.325 113.495 119.914 -0.157 0.000 2.962 160 V HA 0.892 5.017 4.120 0.008 0.000 0.313 160 V C 0.453 176.440 176.094 -0.179 0.000 1.099 160 V CA -0.360 61.863 62.300 -0.128 0.000 0.971 160 V CB 0.986 32.754 31.823 -0.092 0.000 1.028 160 V HN 0.412 nan 8.190 nan 0.000 0.430 161 G N 2.387 111.094 108.800 -0.155 0.000 2.528 161 G HA2 -0.195 3.770 3.960 0.008 0.000 0.262 161 G HA3 -0.195 3.770 3.960 0.008 0.000 0.262 161 G C 0.224 175.029 174.900 -0.160 0.000 1.200 161 G CA 0.683 45.649 45.100 -0.222 0.000 0.951 161 G HN 2.448 nan 8.290 nan 0.000 0.566 162 H N -0.460 118.616 119.070 0.011 0.000 2.777 162 H HA 0.427 4.988 4.556 0.008 0.000 0.244 162 H C 0.465 175.950 175.328 0.262 0.000 1.185 162 H CA -0.147 55.966 56.048 0.109 0.000 0.945 162 H CB 0.033 29.915 29.762 0.200 0.000 1.994 162 H HN 0.489 nan 8.280 nan 0.000 0.638 163 K N 1.344 121.815 120.400 0.117 0.000 2.276 163 K HA 0.313 4.638 4.320 0.008 0.000 0.259 163 K C -0.841 175.870 176.600 0.185 0.000 1.001 163 K CA -0.475 55.867 56.287 0.092 0.000 0.927 163 K CB 1.139 33.539 32.500 -0.166 0.000 0.969 163 K HN 0.033 nan 8.250 nan 0.000 0.490 164 L N 1.089 122.445 121.223 0.222 0.000 2.470 164 L HA 0.459 4.804 4.340 0.008 0.000 0.268 164 L C -1.598 175.444 176.870 0.288 0.000 0.964 164 L CA -0.184 54.739 54.840 0.138 0.000 0.839 164 L CB 1.806 43.789 42.059 -0.126 0.000 1.276 164 L HN 0.750 nan 8.230 nan 0.000 0.403 165 A N 4.176 127.193 122.820 0.328 0.000 2.342 165 A HA 0.835 5.160 4.320 0.008 0.000 0.323 165 A C -1.642 175.966 177.584 0.040 0.000 1.125 165 A CA -0.374 51.737 52.037 0.122 0.000 0.785 165 A CB 0.952 19.942 19.000 -0.017 0.000 1.221 165 A HN 0.790 nan 8.150 nan 0.000 0.463 166 Y N -0.490 119.770 120.300 -0.068 0.000 2.588 166 Y HA 0.758 5.313 4.550 0.008 0.000 0.343 166 Y C -1.182 174.735 175.900 0.027 0.000 1.065 166 Y CA -1.622 56.420 58.100 -0.096 0.000 1.038 166 Y CB 1.123 39.462 38.460 -0.202 0.000 1.297 166 Y HN 0.379 nan 8.280 nan 0.000 0.467 167 V N 2.145 122.209 119.914 0.251 0.000 2.448 167 V HA 0.348 4.473 4.120 0.008 0.000 0.295 167 V C -1.430 174.898 176.094 0.391 0.000 1.025 167 V CA -0.615 61.808 62.300 0.205 0.000 0.859 167 V CB 1.178 33.032 31.823 0.052 0.000 0.988 167 V HN 0.871 nan 8.190 nan 0.000 0.431 168 W N 4.868 126.283 121.300 0.191 0.000 3.042 168 W HA 0.457 5.122 4.660 0.009 0.000 0.337 168 W C 0.344 176.923 176.519 0.100 0.000 1.086 168 W CA -0.727 56.695 57.345 0.129 0.000 1.236 168 W CB 1.264 30.766 29.460 0.069 0.000 1.381 168 W HN 0.790 nan 8.180 nan 0.000 0.472 169 N N 5.832 124.148 118.700 -0.640 0.000 2.716 169 N HA -0.364 4.381 4.740 0.008 0.000 0.250 169 N C 0.112 175.473 175.510 -0.249 0.000 1.033 169 N CA 1.027 53.729 53.050 -0.580 0.000 0.727 169 N CB -1.018 36.915 38.487 -0.924 0.000 0.950 169 N HN 0.816 nan 8.380 nan 0.000 0.541 170 N N -2.132 116.486 118.700 -0.136 0.000 2.878 170 N HA -0.161 4.584 4.740 0.008 0.000 0.247 170 N C -1.259 174.195 175.510 -0.093 0.000 1.021 170 N CA 1.095 54.088 53.050 -0.095 0.000 0.873 170 N CB -0.373 38.015 38.487 -0.165 0.000 1.128 170 N HN 0.451 nan 8.380 nan 0.000 0.571 171 D N 0.565 120.928 120.400 -0.062 0.000 2.340 171 D HA 0.509 5.154 4.640 0.008 0.000 0.240 171 D C 0.187 176.377 176.300 -0.184 0.000 1.001 171 D CA -0.358 53.544 54.000 -0.165 0.000 0.888 171 D CB 1.650 42.322 40.800 -0.213 0.000 1.310 171 D HN 0.027 nan 8.370 nan 0.000 0.474 172 I N 1.643 121.930 120.570 -0.471 0.000 2.396 172 I HA 0.249 4.424 4.170 0.008 0.000 0.292 172 I C -0.653 175.006 176.117 -0.763 0.000 0.999 172 I CA -0.423 60.566 61.300 -0.518 0.000 1.310 172 I CB 0.594 38.193 38.000 -0.668 0.000 1.404 172 I HN 0.167 nan 8.210 nan 0.000 0.496 173 Y N 4.059 123.975 120.300 -0.639 0.000 2.512 173 Y HA 0.623 5.178 4.550 0.008 0.000 0.348 173 Y C -0.471 175.090 175.900 -0.564 0.000 0.990 173 Y CA -0.974 56.703 58.100 -0.704 0.000 1.033 173 Y CB 2.188 39.947 38.460 -1.169 0.000 1.259 173 Y HN 0.098 nan 8.280 nan 0.000 0.461 174 V N 3.072 122.922 119.914 -0.108 0.000 2.531 174 V HA 0.408 4.533 4.120 0.008 0.000 0.301 174 V C -0.791 175.423 176.094 0.201 0.000 1.034 174 V CA -1.349 60.988 62.300 0.062 0.000 0.865 174 V CB 1.795 33.673 31.823 0.092 0.000 0.995 174 V HN 0.628 nan 8.190 nan 0.000 0.424 175 K N 4.627 125.145 120.400 0.196 0.000 2.339 175 K HA 0.496 4.821 4.320 0.008 0.000 0.264 175 K C 0.339 177.065 176.600 0.211 0.000 0.986 175 K CA -0.716 55.680 56.287 0.182 0.000 0.866 175 K CB 1.844 34.411 32.500 0.112 0.000 1.103 175 K HN 0.438 nan 8.250 nan 0.000 0.441 176 I N 1.079 121.795 120.570 0.242 0.000 2.233 176 I HA -0.082 4.093 4.170 0.008 0.000 0.243 176 I C 0.607 176.852 176.117 0.214 0.000 1.093 176 I CA 1.445 62.874 61.300 0.215 0.000 1.380 176 I CB -0.251 37.883 38.000 0.223 0.000 1.067 176 I HN 0.530 nan 8.210 nan 0.000 0.413 177 E N 0.543 120.835 120.200 0.155 0.000 2.195 177 E HA 0.268 4.623 4.350 0.008 0.000 0.271 177 E C -1.798 174.772 176.600 -0.052 0.000 0.923 177 E CA -2.150 54.294 56.400 0.073 0.000 0.790 177 E CB 1.517 31.255 29.700 0.063 0.000 1.155 177 E HN -0.078 nan 8.360 nan 0.000 0.402 178 P HA -0.149 nan 4.420 nan 0.000 0.218 178 P C 0.738 177.942 177.300 -0.160 0.000 1.148 178 P CA 1.414 64.351 63.100 -0.271 0.000 0.822 178 P CB 0.153 31.471 31.700 -0.635 0.000 0.784 179 N N -1.686 116.936 118.700 -0.130 0.000 2.412 179 N HA 0.040 4.785 4.740 0.008 0.000 0.184 179 N C 0.394 175.875 175.510 -0.049 0.000 1.101 179 N CA -0.063 52.948 53.050 -0.065 0.000 0.881 179 N CB -0.228 38.241 38.487 -0.030 0.000 0.969 179 N HN 0.103 nan 8.380 nan 0.000 0.459 180 L N 1.032 122.228 121.223 -0.045 0.000 2.375 180 L HA 0.486 4.832 4.340 0.008 0.000 0.268 180 L C -2.050 174.773 176.870 -0.078 0.000 1.058 180 L CA -2.499 52.314 54.840 -0.045 0.000 0.803 180 L CB 0.846 42.896 42.059 -0.015 0.000 1.212 180 L HN -0.080 nan 8.230 nan 0.000 0.451 181 P HA 0.020 nan 4.420 nan 0.000 0.268 181 P C -0.871 176.287 177.300 -0.237 0.000 1.208 181 P CA -0.252 62.751 63.100 -0.162 0.000 0.777 181 P CB 0.546 32.139 31.700 -0.179 0.000 0.875 182 S N 1.400 117.006 115.700 -0.157 0.000 2.610 182 S HA 0.416 4.891 4.470 0.008 0.000 0.273 182 S C -0.538 173.950 174.600 -0.187 0.000 1.274 182 S CA -0.548 57.594 58.200 -0.097 0.000 1.023 182 S CB 0.112 63.358 63.200 0.077 0.000 0.962 182 S HN 0.288 nan 8.310 nan 0.000 0.523 183 Y N 0.474 120.786 120.300 0.020 0.000 2.326 183 Y HA 0.424 4.979 4.550 0.008 0.000 0.337 183 Y C 0.879 176.687 175.900 -0.155 0.000 1.023 183 Y CA -0.798 57.289 58.100 -0.021 0.000 1.143 183 Y CB 0.839 39.289 38.460 -0.017 0.000 1.183 183 Y HN 0.623 nan 8.280 nan 0.000 0.485 184 R N 3.799 124.224 120.500 -0.124 0.000 2.296 184 R HA 0.179 4.524 4.340 0.008 0.000 0.323 184 R C 0.248 176.258 176.300 -0.484 0.000 1.067 184 R CA -0.064 55.637 56.100 -0.664 0.000 0.946 184 R CB 0.193 29.900 30.300 -0.987 0.000 0.991 184 R HN 0.765 nan 8.270 nan 0.000 0.448 185 I N 2.289 122.500 120.570 -0.598 0.000 2.429 185 I HA -0.046 4.130 4.170 0.008 0.000 0.247 185 I C 1.130 177.047 176.117 -0.334 0.000 1.099 185 I CA 1.084 62.158 61.300 -0.376 0.000 1.422 185 I CB -0.841 36.889 38.000 -0.450 0.000 1.112 185 I HN 0.625 nan 8.210 nan 0.000 0.430 186 T N -3.732 110.500 114.554 -0.537 0.000 2.876 186 T HA 0.385 4.740 4.350 0.008 0.000 0.289 186 T C -0.634 173.821 174.700 -0.407 0.000 1.014 186 T CA -0.551 61.345 62.100 -0.340 0.000 0.986 186 T CB 1.784 70.427 68.868 -0.374 0.000 1.021 186 T HN 0.179 nan 8.240 nan 0.000 0.458 187 W N 0.915 122.104 121.300 -0.185 0.000 2.862 187 W HA 0.231 4.896 4.660 0.008 0.000 0.376 187 W C 1.899 178.365 176.519 -0.089 0.000 1.028 187 W CA -0.133 57.141 57.345 -0.119 0.000 1.757 187 W CB 0.330 29.740 29.460 -0.084 0.000 1.128 187 W HN 0.924 nan 8.180 nan 0.000 0.566 188 T N -2.946 111.648 114.554 0.066 0.000 3.060 188 T HA 0.276 4.631 4.350 0.008 0.000 0.249 188 T C 1.236 175.928 174.700 -0.014 0.000 1.079 188 T CA 0.136 62.257 62.100 0.033 0.000 1.013 188 T CB -0.131 68.750 68.868 0.020 0.000 0.975 188 T HN -0.010 nan 8.240 nan 0.000 0.518 189 G N 1.267 110.034 108.800 -0.055 0.000 2.353 189 G HA2 0.375 4.340 3.960 0.008 0.000 0.239 189 G HA3 0.375 4.340 3.960 0.008 0.000 0.239 189 G C -0.640 174.199 174.900 -0.102 0.000 1.295 189 G CA -0.395 44.649 45.100 -0.094 0.000 0.884 189 G HN 0.538 nan 8.290 nan 0.000 0.537 190 K N 1.785 122.096 120.400 -0.148 0.000 2.589 190 K HA 0.155 4.480 4.320 0.008 0.000 0.253 190 K C -0.319 176.153 176.600 -0.214 0.000 0.974 190 K CA -0.651 55.550 56.287 -0.143 0.000 0.835 190 K CB 1.687 34.135 32.500 -0.087 0.000 1.272 190 K HN 0.619 nan 8.250 nan 0.000 0.444 191 E N 3.128 123.221 120.200 -0.178 0.000 2.694 191 E HA -0.153 4.202 4.350 0.008 0.000 0.250 191 E C -0.556 175.959 176.600 -0.141 0.000 0.963 191 E CA 1.058 57.359 56.400 -0.165 0.000 0.949 191 E CB 0.231 29.866 29.700 -0.108 0.000 0.911 191 E HN 0.640 nan 8.360 nan 0.000 0.500 192 D N 2.313 122.616 120.400 -0.160 0.000 2.978 192 D HA -0.248 4.397 4.640 0.008 0.000 0.205 192 D C 0.605 176.904 176.300 -0.003 0.000 1.093 192 D CA 1.635 55.644 54.000 0.016 0.000 1.006 192 D CB -0.898 39.955 40.800 0.089 0.000 1.116 192 D HN 0.516 nan 8.370 nan 0.000 0.419 193 I N -0.944 119.510 120.570 -0.194 0.000 3.623 193 I HA 0.073 4.249 4.170 0.008 0.000 0.253 193 I C 0.458 176.548 176.117 -0.045 0.000 1.144 193 I CA 0.030 61.307 61.300 -0.039 0.000 1.461 193 I CB 0.627 38.618 38.000 -0.015 0.000 1.575 193 I HN -0.169 nan 8.210 nan 0.000 0.445 194 I N 1.377 121.835 120.570 -0.186 0.000 2.406 194 I HA 0.267 4.442 4.170 0.008 0.000 0.290 194 I C -1.424 174.583 176.117 -0.183 0.000 0.999 194 I CA -0.471 60.796 61.300 -0.054 0.000 1.124 194 I CB 0.858 38.856 38.000 -0.002 0.000 1.289 194 I HN 0.061 nan 8.210 nan 0.000 0.441 195 Y N 4.522 124.905 120.300 0.138 0.000 2.388 195 Y HA 0.379 4.934 4.550 0.008 0.000 0.328 195 Y C 0.353 176.302 175.900 0.082 0.000 0.963 195 Y CA -0.745 57.437 58.100 0.136 0.000 1.240 195 Y CB 0.942 39.562 38.460 0.266 0.000 1.118 195 Y HN 0.414 nan 8.280 nan 0.000 0.484 196 N N 2.566 121.318 118.700 0.088 0.000 2.457 196 N HA 0.317 5.062 4.740 0.008 0.000 0.250 196 N C 0.885 176.325 175.510 -0.116 0.000 0.982 196 N CA 0.481 53.516 53.050 -0.025 0.000 0.941 196 N CB 1.733 40.117 38.487 -0.171 0.000 1.120 196 N HN 1.017 nan 8.380 nan 0.000 0.505 197 G N 1.683 110.428 108.800 -0.092 0.000 2.179 197 G HA2 -0.256 3.710 3.960 0.008 0.000 0.260 197 G HA3 -0.256 3.710 3.960 0.008 0.000 0.260 197 G C 0.123 174.846 174.900 -0.294 0.000 0.977 197 G CA 0.634 45.599 45.100 -0.226 0.000 0.641 197 G HN 0.658 nan 8.290 nan 0.000 0.533 198 I N -1.799 118.667 120.570 -0.173 0.000 2.934 198 I HA 0.830 5.005 4.170 0.008 0.000 0.306 198 I C 0.329 176.437 176.117 -0.015 0.000 1.110 198 I CA -0.683 60.412 61.300 -0.342 0.000 1.019 198 I CB 2.031 39.654 38.000 -0.629 0.000 1.227 198 I HN 0.156 nan 8.210 nan 0.000 0.434 199 T N -0.399 114.081 114.554 -0.124 0.000 2.918 199 T HA 0.391 4.746 4.350 0.008 0.000 0.283 199 T C -0.223 174.270 174.700 -0.346 0.000 1.001 199 T CA -0.663 61.267 62.100 -0.283 0.000 1.041 199 T CB 1.336 70.097 68.868 -0.178 0.000 1.028 199 T HN 0.773 nan 8.240 nan 0.000 0.511 200 D N 0.079 120.028 120.400 -0.751 0.000 2.478 200 D HA 0.052 4.697 4.640 0.008 0.000 0.274 200 D C 0.927 177.135 176.300 -0.154 0.000 1.234 200 D CA -1.118 52.462 54.000 -0.700 0.000 1.069 200 D CB 0.153 40.470 40.800 -0.806 0.000 1.113 200 D HN 0.689 nan 8.370 nan 0.000 0.571 201 W N 0.064 121.287 121.300 -0.129 0.000 2.333 201 W HA -0.206 4.459 4.660 0.009 0.000 0.316 201 W C 2.180 178.587 176.519 -0.187 0.000 1.215 201 W CA 2.271 59.527 57.345 -0.147 0.000 1.278 201 W CB -0.448 28.872 29.460 -0.232 0.000 1.154 201 W HN 0.183 nan 8.180 nan 0.000 0.486 202 V N -0.161 119.818 119.914 0.108 0.000 2.453 202 V HA -0.288 3.837 4.120 0.008 0.000 0.247 202 V C 1.903 177.839 176.094 -0.264 0.000 1.048 202 V CA 1.990 64.248 62.300 -0.071 0.000 1.049 202 V CB -0.749 31.039 31.823 -0.058 0.000 0.672 202 V HN 0.287 nan 8.190 nan 0.000 0.457 203 Y N 0.693 120.821 120.300 -0.287 0.000 2.242 203 Y HA -0.189 4.366 4.550 0.009 0.000 0.291 203 Y C 2.592 178.384 175.900 -0.180 0.000 1.137 203 Y CA 2.147 60.087 58.100 -0.268 0.000 1.181 203 Y CB -0.169 38.009 38.460 -0.469 0.000 0.989 203 Y HN 0.391 nan 8.280 nan 0.000 0.527 204 E N 0.346 120.499 120.200 -0.079 0.000 2.051 204 E HA -0.300 4.056 4.350 0.008 0.000 0.192 204 E C 1.988 178.519 176.600 -0.115 0.000 0.991 204 E CA 1.642 58.013 56.400 -0.048 0.000 0.799 204 E CB -0.013 29.664 29.700 -0.038 0.000 0.748 204 E HN 0.415 nan 8.360 nan 0.000 0.449 205 E N -0.001 119.955 120.200 -0.406 0.000 2.112 205 E HA -0.119 4.236 4.350 0.008 0.000 0.190 205 E C 1.489 177.952 176.600 -0.229 0.000 0.979 205 E CA 1.273 57.418 56.400 -0.425 0.000 0.814 205 E CB 0.268 29.355 29.700 -1.022 0.000 0.762 205 E HN 0.217 nan 8.360 nan 0.000 0.460 206 E N -0.979 119.066 120.200 -0.258 0.000 2.490 206 E HA 0.126 4.481 4.350 0.008 0.000 0.209 206 E C 1.464 177.910 176.600 -0.256 0.000 0.971 206 E CA 0.294 56.578 56.400 -0.193 0.000 0.988 206 E CB 1.241 30.824 29.700 -0.195 0.000 1.029 206 E HN 0.173 nan 8.360 nan 0.000 0.496 207 V N -0.605 119.117 119.914 -0.320 0.000 2.840 207 V HA 0.087 4.212 4.120 0.008 0.000 0.234 207 V C 1.282 177.094 176.094 -0.469 0.000 1.159 207 V CA 0.659 62.669 62.300 -0.484 0.000 1.194 207 V CB -0.128 31.271 31.823 -0.705 0.000 0.971 207 V HN 0.018 nan 8.190 nan 0.000 0.494 208 F N 0.568 120.514 119.950 -0.007 0.000 2.731 208 F HA 0.301 4.834 4.527 0.008 0.000 0.298 208 F C 1.535 177.285 175.800 -0.083 0.000 1.106 208 F CA 0.258 58.270 58.000 0.019 0.000 1.329 208 F CB -0.087 38.975 39.000 0.102 0.000 1.100 208 F HN 0.068 nan 8.300 nan 0.000 0.592 209 S N 0.445 116.135 115.700 -0.017 0.000 3.581 209 S HA -0.031 4.444 4.470 0.008 0.000 0.354 209 S C 0.100 174.219 174.600 -0.801 0.000 1.059 209 S CA 0.445 58.495 58.200 -0.251 0.000 1.060 209 S CB -1.861 61.276 63.200 -0.105 0.000 0.908 209 S HN 0.652 nan 8.310 nan 0.000 0.475 210 A N -0.845 121.726 122.820 -0.414 0.000 2.605 210 A HA 0.688 5.013 4.320 0.008 0.000 0.294 210 A C -0.297 177.243 177.584 -0.073 0.000 1.062 210 A CA -0.449 51.400 52.037 -0.314 0.000 0.682 210 A CB 0.368 19.238 19.000 -0.217 0.000 1.278 210 A HN 0.306 nan 8.150 nan 0.000 0.410 211 Y N 1.534 121.679 120.300 -0.259 0.000 2.314 211 Y HA 0.021 4.576 4.550 0.009 0.000 0.294 211 Y C 1.610 177.218 175.900 -0.487 0.000 1.119 211 Y CA 1.064 59.006 58.100 -0.263 0.000 1.179 211 Y CB 0.248 38.598 38.460 -0.183 0.000 1.025 211 Y HN 0.788 nan 8.280 nan 0.000 0.541 212 S N 0.560 115.708 115.700 -0.921 0.000 2.576 212 S HA 0.487 4.962 4.470 0.008 0.000 0.276 212 S C 0.008 174.064 174.600 -0.906 0.000 1.339 212 S CA -0.232 57.202 58.200 -1.278 0.000 1.039 212 S CB 1.649 63.605 63.200 -2.073 0.000 0.902 212 S HN 0.357 nan 8.310 nan 0.000 0.516 213 A N 3.062 125.343 122.820 -0.898 0.000 3.176 213 A HA 0.564 4.889 4.320 0.008 0.000 0.265 213 A C -0.458 176.327 177.584 -1.332 0.000 0.936 213 A CA -0.601 50.767 52.037 -1.115 0.000 1.033 213 A CB -0.137 18.663 19.000 -0.335 0.000 1.158 213 A HN 0.779 nan 8.150 nan 0.000 0.485 214 L N 0.451 120.836 121.223 -1.397 0.000 2.365 214 L HA 0.623 4.968 4.340 0.008 0.000 0.273 214 L C -1.103 175.231 176.870 -0.893 0.000 1.000 214 L CA -0.567 53.768 54.840 -0.843 0.000 0.819 214 L CB 1.902 43.702 42.059 -0.430 0.000 1.284 214 L HN 0.470 nan 8.230 nan 0.000 0.418 215 W N 2.521 123.847 121.300 0.044 0.000 2.591 215 W HA 0.221 4.886 4.660 0.008 0.000 0.311 215 W C -1.123 175.615 176.519 0.363 0.000 1.003 215 W CA -1.152 56.352 57.345 0.264 0.000 1.332 215 W CB 1.157 30.829 29.460 0.353 0.000 1.272 215 W HN 0.492 nan 8.180 nan 0.000 0.412 216 W N 2.515 124.029 121.300 0.357 0.000 2.181 216 W HA 0.197 4.862 4.660 0.008 0.000 0.335 216 W C 1.410 177.757 176.519 -0.288 0.000 1.310 216 W CA 0.434 57.846 57.345 0.111 0.000 1.226 216 W CB 0.740 30.241 29.460 0.067 0.000 1.155 216 W HN 0.199 nan 8.180 nan 0.000 0.565 217 S N 2.750 118.166 115.700 -0.475 0.000 2.589 217 S HA 0.130 4.606 4.470 0.008 0.000 0.265 217 S C -1.676 172.659 174.600 -0.442 0.000 1.342 217 S CA -0.969 56.424 58.200 -1.346 0.000 1.005 217 S CB 0.947 63.456 63.200 -1.151 0.000 0.909 217 S HN 0.306 nan 8.310 nan 0.000 0.555 218 P HA -0.127 nan 4.420 nan 0.000 0.217 218 P C 0.720 177.990 177.300 -0.051 0.000 1.148 218 P CA 1.540 64.602 63.100 -0.063 0.000 0.828 218 P CB -0.224 31.486 31.700 0.017 0.000 0.783 219 N N -2.216 116.438 118.700 -0.076 0.000 2.204 219 N HA 0.159 4.904 4.740 0.008 0.000 0.219 219 N C 1.037 176.485 175.510 -0.104 0.000 1.151 219 N CA 0.230 53.237 53.050 -0.073 0.000 0.867 219 N CB -0.632 37.826 38.487 -0.048 0.000 1.043 219 N HN 0.115 nan 8.380 nan 0.000 0.516 220 G N -0.648 108.105 108.800 -0.078 0.000 2.162 220 G HA2 -0.357 3.608 3.960 0.008 0.000 0.260 220 G HA3 -0.357 3.608 3.960 0.008 0.000 0.260 220 G C 0.957 175.906 174.900 0.082 0.000 0.976 220 G CA 0.886 45.968 45.100 -0.030 0.000 0.655 220 G HN 0.381 nan 8.290 nan 0.000 0.533 221 T N -0.127 114.387 114.554 -0.067 0.000 2.708 221 T HA 0.156 4.511 4.350 0.008 0.000 0.266 221 T C 0.823 175.331 174.700 -0.320 0.000 1.037 221 T CA 1.379 63.312 62.100 -0.279 0.000 1.146 221 T CB -0.092 68.462 68.868 -0.523 0.000 0.865 221 T HN 0.312 nan 8.240 nan 0.000 0.435 222 F N 0.375 120.368 119.950 0.072 0.000 2.450 222 F HA 0.603 5.135 4.527 0.008 0.000 0.332 222 F C -0.254 175.617 175.800 0.117 0.000 1.093 222 F CA -1.570 56.508 58.000 0.129 0.000 1.003 222 F CB 1.181 40.331 39.000 0.251 0.000 1.151 222 F HN -0.105 nan 8.300 nan 0.000 0.474 223 L N 3.285 124.637 121.223 0.215 0.000 2.318 223 L HA 0.767 5.112 4.340 0.008 0.000 0.277 223 L C -0.400 176.565 176.870 0.158 0.000 1.008 223 L CA -0.495 54.291 54.840 -0.091 0.000 0.846 223 L CB 0.504 42.200 42.059 -0.604 0.000 1.220 223 L HN 0.676 nan 8.230 nan 0.000 0.423 224 A N 4.982 127.987 122.820 0.308 0.000 2.327 224 A HA 0.696 5.021 4.320 0.008 0.000 0.283 224 A C -1.217 176.435 177.584 0.114 0.000 1.127 224 A CA -0.163 51.960 52.037 0.144 0.000 0.810 224 A CB 0.320 19.510 19.000 0.317 0.000 1.066 224 A HN 0.856 nan 8.150 nan 0.000 0.492 225 Y N -1.643 118.400 120.300 -0.428 0.000 2.609 225 Y HA 0.744 5.299 4.550 0.008 0.000 0.336 225 Y C -0.352 175.299 175.900 -0.416 0.000 1.129 225 Y CA -0.915 56.999 58.100 -0.310 0.000 1.040 225 Y CB 0.906 39.186 38.460 -0.300 0.000 1.310 225 Y HN 0.898 nan 8.280 nan 0.000 0.460 226 A N 2.060 124.876 122.820 -0.006 0.000 2.325 226 A HA 0.657 4.982 4.320 0.008 0.000 0.333 226 A C -1.189 176.253 177.584 -0.237 0.000 1.155 226 A CA -0.854 51.085 52.037 -0.163 0.000 0.814 226 A CB 1.686 20.573 19.000 -0.188 0.000 1.206 226 A HN 0.806 nan 8.150 nan 0.000 0.482 227 Q N 1.328 120.953 119.800 -0.292 0.000 2.325 227 Q HA 0.592 4.937 4.340 0.008 0.000 0.270 227 Q C -1.986 173.806 176.000 -0.346 0.000 1.020 227 Q CA -0.354 55.367 55.803 -0.135 0.000 0.785 227 Q CB 0.878 29.744 28.738 0.213 0.000 1.259 227 Q HN 0.595 nan 8.270 nan 0.000 0.452 228 F N 2.296 122.348 119.950 0.170 0.000 2.450 228 F HA 0.419 4.951 4.527 0.009 0.000 0.332 228 F C 0.471 176.441 175.800 0.283 0.000 1.093 228 F CA -0.919 57.170 58.000 0.148 0.000 1.003 228 F CB 1.272 40.267 39.000 -0.007 0.000 1.151 228 F HN 0.444 nan 8.300 nan 0.000 0.474 229 N N 1.823 120.764 118.700 0.400 0.000 2.524 229 N HA 0.209 4.954 4.740 0.008 0.000 0.261 229 N C -0.849 174.844 175.510 0.305 0.000 0.998 229 N CA -0.327 52.907 53.050 0.308 0.000 0.915 229 N CB 0.939 39.547 38.487 0.203 0.000 1.187 229 N HN 0.518 nan 8.380 nan 0.000 0.507 230 D N 1.470 122.075 120.400 0.341 0.000 2.388 230 D HA 0.113 4.759 4.640 0.008 0.000 0.221 230 D C 1.171 177.589 176.300 0.196 0.000 1.133 230 D CA 0.217 54.395 54.000 0.298 0.000 0.831 230 D CB 0.471 41.524 40.800 0.422 0.000 0.962 230 D HN 0.487 nan 8.370 nan 0.000 0.502 231 T N 0.186 114.832 114.554 0.154 0.000 2.653 231 T HA -0.204 4.151 4.350 0.008 0.000 0.268 231 T C 1.417 176.171 174.700 0.091 0.000 1.035 231 T CA 1.312 63.475 62.100 0.105 0.000 1.154 231 T CB -0.020 68.899 68.868 0.085 0.000 0.862 231 T HN 0.275 nan 8.240 nan 0.000 0.441 232 E N 0.147 120.403 120.200 0.093 0.000 2.501 232 E HA 0.186 4.541 4.350 0.008 0.000 0.201 232 E C -0.464 176.186 176.600 0.083 0.000 1.016 232 E CA -0.247 56.199 56.400 0.076 0.000 0.920 232 E CB 0.636 30.373 29.700 0.061 0.000 1.023 232 E HN 0.179 nan 8.360 nan 0.000 0.474 233 V N 3.839 123.818 119.914 0.107 0.000 2.479 233 V HA 0.074 4.199 4.120 0.008 0.000 0.281 233 V C -2.006 174.150 176.094 0.103 0.000 1.031 233 V CA -1.344 61.024 62.300 0.114 0.000 1.038 233 V CB 0.232 32.143 31.823 0.146 0.000 0.981 233 V HN 0.065 nan 8.190 nan 0.000 0.478 234 P HA 0.274 nan 4.420 nan 0.000 0.272 234 P C -0.723 176.624 177.300 0.078 0.000 1.230 234 P CA -0.324 62.820 63.100 0.074 0.000 0.788 234 P CB 0.552 32.293 31.700 0.069 0.000 0.949 235 L N 1.802 123.049 121.223 0.040 0.000 2.295 235 L HA 0.436 4.781 4.340 0.008 0.000 0.285 235 L C 0.391 177.230 176.870 -0.053 0.000 1.035 235 L CA -1.012 53.836 54.840 0.013 0.000 0.806 235 L CB 1.035 43.093 42.059 -0.001 0.000 1.214 235 L HN 0.290 nan 8.230 nan 0.000 0.426 236 I N 2.714 123.212 120.570 -0.120 0.000 2.395 236 I HA 0.198 4.373 4.170 0.008 0.000 0.289 236 I C -0.261 175.727 176.117 -0.215 0.000 1.023 236 I CA 0.342 61.473 61.300 -0.282 0.000 1.350 236 I CB 0.740 38.323 38.000 -0.696 0.000 1.409 236 I HN 0.567 nan 8.210 nan 0.000 0.507 237 E N 7.395 127.483 120.200 -0.187 0.000 2.210 237 E HA 0.515 4.870 4.350 0.008 0.000 0.266 237 E C -1.758 174.784 176.600 -0.098 0.000 0.883 237 E CA -0.592 55.694 56.400 -0.189 0.000 0.761 237 E CB 1.971 31.588 29.700 -0.139 0.000 1.156 237 E HN 0.558 nan 8.360 nan 0.000 0.412 238 Y N -1.678 118.538 120.300 -0.140 0.000 2.609 238 Y HA 0.532 5.087 4.550 0.008 0.000 0.336 238 Y C -0.663 175.163 175.900 -0.123 0.000 1.129 238 Y CA -1.298 56.723 58.100 -0.132 0.000 1.040 238 Y CB 0.791 39.178 38.460 -0.122 0.000 1.310 238 Y HN 0.204 nan 8.280 nan 0.000 0.460 239 S N 1.921 117.608 115.700 -0.023 0.000 2.565 239 S HA 0.431 4.906 4.470 0.008 0.000 0.276 239 S C -1.330 173.115 174.600 -0.258 0.000 1.326 239 S CA -0.335 57.701 58.200 -0.274 0.000 1.045 239 S CB 0.235 63.112 63.200 -0.538 0.000 0.918 239 S HN 0.543 nan 8.310 nan 0.000 0.505 240 F N 2.433 122.113 119.950 -0.450 0.000 2.477 240 F HA 0.414 4.947 4.527 0.009 0.000 0.335 240 F C -0.200 175.377 175.800 -0.371 0.000 1.130 240 F CA -0.782 57.038 58.000 -0.301 0.000 0.948 240 F CB 0.795 39.748 39.000 -0.078 0.000 1.154 240 F HN 0.672 nan 8.300 nan 0.000 0.439 241 Y N 2.804 122.869 120.300 -0.391 0.000 2.448 241 Y HA 0.100 4.655 4.550 0.008 0.000 0.289 241 Y C 1.712 177.510 175.900 -0.170 0.000 1.114 241 Y CA 1.077 59.043 58.100 -0.222 0.000 1.235 241 Y CB -0.466 37.861 38.460 -0.220 0.000 1.045 241 Y HN 0.747 nan 8.280 nan 0.000 0.554 242 S N -0.040 115.510 115.700 -0.249 0.000 3.443 242 S HA -0.319 4.156 4.470 0.008 0.000 0.635 242 S C -0.211 174.417 174.600 0.048 0.000 2.555 242 S CA 0.275 58.505 58.200 0.049 0.000 2.778 242 S CB -1.403 61.964 63.200 0.277 0.000 0.331 242 S HN 0.567 nan 8.310 nan 0.000 1.765 243 D N 1.164 121.621 120.400 0.095 0.000 2.423 243 D HA 0.215 4.860 4.640 0.008 0.000 0.238 243 D C 1.465 177.793 176.300 0.047 0.000 1.142 243 D CA 0.963 55.001 54.000 0.064 0.000 0.884 243 D CB 0.507 41.348 40.800 0.069 0.000 1.199 243 D HN 0.545 nan 8.370 nan 0.000 0.438 244 E N 1.368 121.584 120.200 0.027 0.000 2.253 244 E HA -0.313 4.042 4.350 0.008 0.000 0.202 244 E C 1.398 178.009 176.600 0.018 0.000 1.014 244 E CA 1.529 57.937 56.400 0.013 0.000 0.823 244 E CB 0.004 29.706 29.700 0.004 0.000 0.736 244 E HN 0.549 nan 8.360 nan 0.000 0.478 245 S N 0.098 115.815 115.700 0.029 0.000 2.447 245 S HA -0.081 4.394 4.470 0.008 0.000 0.233 245 S C 1.197 175.822 174.600 0.043 0.000 1.006 245 S CA 0.091 58.310 58.200 0.032 0.000 0.957 245 S CB -0.215 63.007 63.200 0.036 0.000 0.773 245 S HN 0.279 nan 8.310 nan 0.000 0.507 246 L N 2.423 123.679 121.223 0.056 0.000 2.456 246 L HA 0.136 4.481 4.340 0.008 0.000 0.277 246 L C 1.620 178.526 176.870 0.059 0.000 1.124 246 L CA -0.003 54.882 54.840 0.076 0.000 0.880 246 L CB 0.873 42.991 42.059 0.100 0.000 1.192 246 L HN 0.438 nan 8.230 nan 0.000 0.463 247 Q N 4.049 123.890 119.800 0.069 0.000 2.079 247 Q HA -0.100 4.246 4.340 0.008 0.000 0.200 247 Q C -0.576 175.357 176.000 -0.112 0.000 0.974 247 Q CA 1.376 57.175 55.803 -0.007 0.000 0.840 247 Q CB 0.224 28.992 28.738 0.050 0.000 0.898 247 Q HN 0.595 nan 8.270 nan 0.000 0.430 248 Y N 0.565 120.880 120.300 0.023 0.000 2.341 248 Y HA 0.378 4.933 4.550 0.009 0.000 0.338 248 Y C -2.031 173.881 175.900 0.020 0.000 0.965 248 Y CA -2.893 55.218 58.100 0.019 0.000 1.108 248 Y CB 1.418 39.881 38.460 0.005 0.000 1.180 248 Y HN 0.162 nan 8.280 nan 0.000 0.458 249 P HA 0.011 nan 4.420 nan 0.000 0.268 249 P C -0.708 176.609 177.300 0.028 0.000 1.208 249 P CA -0.440 62.688 63.100 0.047 0.000 0.777 249 P CB 0.751 32.424 31.700 -0.045 0.000 0.875 250 K N 0.938 121.341 120.400 0.004 0.000 2.130 250 K HA 0.317 4.642 4.320 0.008 0.000 0.268 250 K C -0.702 175.854 176.600 -0.073 0.000 0.983 250 K CA -0.314 55.970 56.287 -0.005 0.000 0.893 250 K CB 0.607 33.129 32.500 0.036 0.000 1.066 250 K HN 0.341 nan 8.250 nan 0.000 0.450 251 T N 3.090 117.586 114.554 -0.097 0.000 2.738 251 T HA 0.201 4.556 4.350 0.008 0.000 0.298 251 T C -0.387 174.185 174.700 -0.215 0.000 0.962 251 T CA -0.588 61.419 62.100 -0.156 0.000 0.972 251 T CB 0.875 69.669 68.868 -0.123 0.000 0.928 251 T HN 0.264 nan 8.240 nan 0.000 0.474 252 V N 5.720 125.409 119.914 -0.376 0.000 2.498 252 V HA 0.401 4.526 4.120 0.008 0.000 0.279 252 V C 0.474 176.289 176.094 -0.466 0.000 1.048 252 V CA -0.489 61.527 62.300 -0.472 0.000 0.967 252 V CB 0.646 32.020 31.823 -0.749 0.000 0.988 252 V HN 0.723 nan 8.190 nan 0.000 0.473 253 R N 3.637 123.997 120.500 -0.234 0.000 2.451 253 R HA 0.730 5.075 4.340 0.008 0.000 0.307 253 R C -1.667 174.618 176.300 -0.025 0.000 0.965 253 R CA -0.576 55.440 56.100 -0.141 0.000 0.865 253 R CB 2.202 32.449 30.300 -0.088 0.000 1.174 253 R HN 0.509 nan 8.270 nan 0.000 0.455 254 V N 4.008 123.915 119.914 -0.012 0.000 2.577 254 V HA 0.354 4.479 4.120 0.008 0.000 0.303 254 V C -2.380 173.769 176.094 0.092 0.000 1.042 254 V CA -2.488 59.869 62.300 0.096 0.000 0.872 254 V CB 2.275 34.131 31.823 0.054 0.000 0.998 254 V HN 0.609 nan 8.190 nan 0.000 0.423 255 P HA 0.201 nan 4.420 nan 0.000 0.271 255 P C -1.333 176.077 177.300 0.182 0.000 1.233 255 P CA 0.322 63.529 63.100 0.177 0.000 0.764 255 P CB -0.122 31.721 31.700 0.239 0.000 0.825 256 Y N 5.873 126.162 120.300 -0.019 0.000 2.298 256 Y HA 0.358 4.914 4.550 0.009 0.000 0.322 256 Y C -2.698 173.190 175.900 -0.021 0.000 1.138 256 Y CA -2.667 55.376 58.100 -0.094 0.000 1.127 256 Y CB 2.074 40.369 38.460 -0.275 0.000 1.178 256 Y HN 0.293 nan 8.280 nan 0.000 0.428 257 P HA 0.226 nan 4.420 nan 0.000 0.286 257 P C -1.088 176.248 177.300 0.060 0.000 1.321 257 P CA -0.137 62.995 63.100 0.052 0.000 0.790 257 P CB 1.188 32.904 31.700 0.028 0.000 0.897 258 K N 2.037 122.574 120.400 0.228 0.000 2.107 258 K HA 0.499 4.824 4.320 0.008 0.000 0.251 258 K C 0.574 177.281 176.600 0.178 0.000 1.012 258 K CA -0.723 55.722 56.287 0.264 0.000 0.920 258 K CB 0.582 33.263 32.500 0.302 0.000 1.033 258 K HN 0.434 nan 8.250 nan 0.000 0.478 259 A N 0.855 123.807 122.820 0.221 0.000 2.580 259 A HA 0.258 4.583 4.320 0.008 0.000 0.244 259 A C 1.203 178.843 177.584 0.094 0.000 1.045 259 A CA 1.041 53.199 52.037 0.202 0.000 0.761 259 A CB -1.203 18.012 19.000 0.359 0.000 0.962 259 A HN 0.917 nan 8.150 nan 0.000 0.512 260 G N 0.890 109.728 108.800 0.063 0.000 2.179 260 G HA2 0.114 4.079 3.960 0.008 0.000 0.260 260 G HA3 0.114 4.079 3.960 0.008 0.000 0.260 260 G C 0.658 175.574 174.900 0.027 0.000 0.977 260 G CA 0.745 45.852 45.100 0.012 0.000 0.641 260 G HN 2.176 nan 8.290 nan 0.000 0.533 261 A N -0.411 122.443 122.820 0.057 0.000 2.259 261 A HA 0.750 5.075 4.320 0.008 0.000 0.278 261 A C 0.864 178.480 177.584 0.053 0.000 1.107 261 A CA 0.289 52.362 52.037 0.060 0.000 0.828 261 A CB 0.662 19.714 19.000 0.087 0.000 1.111 261 A HN 1.167 nan 8.150 nan 0.000 0.498 262 V N 2.444 122.391 119.914 0.054 0.000 2.485 262 V HA 0.021 4.146 4.120 0.008 0.000 0.287 262 V C 0.339 176.475 176.094 0.070 0.000 1.022 262 V CA -0.083 62.248 62.300 0.052 0.000 1.067 262 V CB -0.301 31.553 31.823 0.053 0.000 0.967 262 V HN 0.779 nan 8.190 nan 0.000 0.479 263 N N 6.420 125.157 118.700 0.063 0.000 2.493 263 N HA 0.446 5.191 4.740 0.008 0.000 0.275 263 N C -2.303 173.284 175.510 0.127 0.000 1.186 263 N CA -1.495 51.612 53.050 0.095 0.000 0.978 263 N CB 1.047 39.572 38.487 0.064 0.000 1.184 263 N HN 0.399 nan 8.380 nan 0.000 0.487 264 P HA 0.077 nan 4.420 nan 0.000 0.272 264 P C -0.446 177.004 177.300 0.250 0.000 1.230 264 P CA -0.115 63.140 63.100 0.259 0.000 0.788 264 P CB 0.338 32.250 31.700 0.354 0.000 0.949 265 T N -1.878 112.809 114.554 0.222 0.000 2.945 265 T HA 0.585 4.940 4.350 0.008 0.000 0.286 265 T C -0.385 174.447 174.700 0.221 0.000 1.025 265 T CA -0.865 61.327 62.100 0.154 0.000 1.039 265 T CB 1.525 70.445 68.868 0.086 0.000 1.068 265 T HN 0.325 nan 8.240 nan 0.000 0.497 266 V N 0.811 120.835 119.914 0.184 0.000 2.789 266 V HA 0.728 4.854 4.120 0.008 0.000 0.311 266 V C -1.414 174.775 176.094 0.159 0.000 1.073 266 V CA -0.813 61.572 62.300 0.140 0.000 0.921 266 V CB 1.964 33.922 31.823 0.223 0.000 1.009 266 V HN 1.044 nan 8.190 nan 0.000 0.426 267 K N 4.727 125.151 120.400 0.039 0.000 2.385 267 K HA 0.596 4.921 4.320 0.008 0.000 0.248 267 K C -1.874 174.657 176.600 -0.115 0.000 0.955 267 K CA -0.535 55.737 56.287 -0.024 0.000 0.816 267 K CB 2.860 35.324 32.500 -0.060 0.000 1.250 267 K HN 0.554 nan 8.250 nan 0.000 0.434 268 F N 1.854 121.509 119.950 -0.491 0.000 2.540 268 F HA 0.562 5.094 4.527 0.008 0.000 0.317 268 F C -1.450 173.817 175.800 -0.889 0.000 1.104 268 F CA -0.659 57.041 58.000 -0.501 0.000 0.913 268 F CB 0.955 39.795 39.000 -0.267 0.000 1.170 268 F HN 0.388 nan 8.300 nan 0.000 0.450 269 F N 3.650 122.918 119.950 -1.137 0.000 2.613 269 F HA 0.775 5.307 4.527 0.008 0.000 0.314 269 F C -0.998 174.219 175.800 -0.971 0.000 1.075 269 F CA -1.187 56.251 58.000 -0.937 0.000 0.945 269 F CB 2.096 40.416 39.000 -1.132 0.000 1.310 269 F HN 0.118 nan 8.300 nan 0.000 0.467 270 V N 2.284 122.042 119.914 -0.260 0.000 2.638 270 V HA 0.652 4.777 4.120 0.008 0.000 0.306 270 V C -1.219 175.008 176.094 0.222 0.000 1.052 270 V CA -0.843 61.402 62.300 -0.090 0.000 0.885 270 V CB 2.005 33.624 31.823 -0.340 0.000 0.999 270 V HN 0.613 nan 8.190 nan 0.000 0.424 271 V N 3.791 123.892 119.914 0.313 0.000 2.680 271 V HA 0.592 4.717 4.120 0.008 0.000 0.309 271 V C -0.504 175.808 176.094 0.363 0.000 1.052 271 V CA -0.611 61.880 62.300 0.318 0.000 0.908 271 V CB 2.204 34.152 31.823 0.208 0.000 1.001 271 V HN 0.930 nan 8.190 nan 0.000 0.431 272 N N 3.357 122.237 118.700 0.301 0.000 2.406 272 N HA 0.146 4.891 4.740 0.008 0.000 0.251 272 N C 1.066 176.560 175.510 -0.027 0.000 1.069 272 N CA 0.565 53.666 53.050 0.086 0.000 0.947 272 N CB 1.647 40.167 38.487 0.054 0.000 1.111 272 N HN 0.903 nan 8.380 nan 0.000 0.497 273 T N -0.429 114.096 114.554 -0.049 0.000 3.085 273 T HA 0.014 4.369 4.350 0.008 0.000 0.263 273 T C 0.725 175.376 174.700 -0.080 0.000 1.127 273 T CA 0.581 62.667 62.100 -0.024 0.000 1.103 273 T CB 0.187 69.146 68.868 0.152 0.000 0.921 273 T HN 0.250 nan 8.240 nan 0.000 0.510 274 D N 2.028 122.351 120.400 -0.128 0.000 2.323 274 D HA 0.037 4.682 4.640 0.008 0.000 0.209 274 D C 1.444 177.681 176.300 -0.104 0.000 0.973 274 D CA 0.888 54.817 54.000 -0.119 0.000 0.874 274 D CB 0.117 40.824 40.800 -0.155 0.000 0.930 274 D HN 0.649 nan 8.370 nan 0.000 0.521 275 S N -0.095 115.541 115.700 -0.107 0.000 2.711 275 S HA 0.237 4.712 4.470 0.008 0.000 0.247 275 S C 0.134 174.663 174.600 -0.118 0.000 1.079 275 S CA -0.663 57.489 58.200 -0.080 0.000 1.050 275 S CB 0.202 63.383 63.200 -0.031 0.000 0.885 275 S HN -0.149 nan 8.310 nan 0.000 0.498 276 L N 2.774 123.850 121.223 -0.244 0.000 2.410 276 L HA 0.517 4.862 4.340 0.008 0.000 0.273 276 L C 0.498 177.140 176.870 -0.379 0.000 1.152 276 L CA 0.383 54.962 54.840 -0.436 0.000 0.855 276 L CB 1.045 42.551 42.059 -0.923 0.000 1.129 276 L HN 0.456 nan 8.230 nan 0.000 0.463 277 S N 0.602 116.214 115.700 -0.147 0.000 2.503 277 S HA 0.456 4.932 4.470 0.008 0.000 0.301 277 S C 0.637 175.412 174.600 0.291 0.000 1.087 277 S CA -0.215 58.031 58.200 0.077 0.000 1.042 277 S CB 1.241 64.479 63.200 0.064 0.000 1.043 277 S HN 0.650 nan 8.310 nan 0.000 0.489 278 S N 3.011 118.923 115.700 0.354 0.000 2.634 278 S HA 0.171 4.646 4.470 0.008 0.000 0.221 278 S C 0.883 175.578 174.600 0.159 0.000 0.952 278 S CA -0.161 58.203 58.200 0.274 0.000 0.930 278 S CB 0.057 63.358 63.200 0.168 0.000 0.780 278 S HN 0.477 nan 8.310 nan 0.000 0.498 279 V N 1.475 121.470 119.914 0.136 0.000 2.743 279 V HA 0.173 4.298 4.120 0.008 0.000 0.237 279 V C 1.322 177.463 176.094 0.079 0.000 1.113 279 V CA 1.227 63.581 62.300 0.090 0.000 1.141 279 V CB -0.149 31.715 31.823 0.069 0.000 0.873 279 V HN 0.730 nan 8.190 nan 0.000 0.486 280 T N -0.972 113.630 114.554 0.080 0.000 2.929 280 T HA 0.414 4.769 4.350 0.008 0.000 0.284 280 T C -0.194 174.560 174.700 0.090 0.000 1.014 280 T CA -0.638 61.498 62.100 0.060 0.000 1.051 280 T CB 1.282 70.175 68.868 0.043 0.000 1.028 280 T HN 0.099 nan 8.240 nan 0.000 0.485 281 N N 1.049 119.788 118.700 0.065 0.000 2.479 281 N HA 0.380 5.125 4.740 0.008 0.000 0.257 281 N C 0.247 175.820 175.510 0.105 0.000 1.232 281 N CA -0.112 53.005 53.050 0.112 0.000 0.920 281 N CB 0.598 39.092 38.487 0.011 0.000 1.105 281 N HN 0.986 nan 8.380 nan 0.000 0.444 282 A N 1.124 124.026 122.820 0.135 0.000 2.498 282 A HA 0.177 4.502 4.320 0.008 0.000 0.239 282 A C 0.608 178.242 177.584 0.084 0.000 1.068 282 A CA 0.042 52.128 52.037 0.083 0.000 0.766 282 A CB -0.015 19.016 19.000 0.051 0.000 1.003 282 A HN 0.541 nan 8.150 nan 0.000 0.497 283 T N 1.859 116.466 114.554 0.089 0.000 2.753 283 T HA 0.486 4.842 4.350 0.008 0.000 0.297 283 T C -0.163 174.628 174.700 0.152 0.000 0.981 283 T CA -0.340 61.825 62.100 0.109 0.000 0.956 283 T CB -0.129 68.804 68.868 0.108 0.000 0.936 283 T HN 0.511 nan 8.240 nan 0.000 0.463 284 S N 5.976 121.766 115.700 0.150 0.000 2.457 284 S HA 0.487 4.962 4.470 0.008 0.000 0.289 284 S C 0.101 174.874 174.600 0.288 0.000 1.163 284 S CA -0.839 57.486 58.200 0.207 0.000 1.078 284 S CB 0.283 63.550 63.200 0.111 0.000 0.987 284 S HN 0.652 nan 8.310 nan 0.000 0.482 285 I N 3.458 124.211 120.570 0.305 0.000 2.352 285 I HA 0.243 4.418 4.170 0.008 0.000 0.290 285 I C 0.641 176.875 176.117 0.194 0.000 1.036 285 I CA -0.238 61.236 61.300 0.290 0.000 1.336 285 I CB 0.538 38.785 38.000 0.412 0.000 1.407 285 I HN 0.671 nan 8.210 nan 0.000 0.497 286 Q N 6.111 125.983 119.800 0.119 0.000 2.327 286 Q HA 0.441 4.787 4.340 0.008 0.000 0.254 286 Q C -0.990 174.946 176.000 -0.106 0.000 0.952 286 Q CA -0.292 55.390 55.803 -0.201 0.000 0.884 286 Q CB 1.131 29.711 28.738 -0.263 0.000 1.224 286 Q HN 0.566 nan 8.270 nan 0.000 0.422 287 I N 4.152 124.634 120.570 -0.145 0.000 2.359 287 I HA 0.198 4.373 4.170 0.008 0.000 0.284 287 I C 0.172 176.254 176.117 -0.059 0.000 1.018 287 I CA -0.749 60.527 61.300 -0.041 0.000 1.173 287 I CB 1.427 39.429 38.000 0.003 0.000 1.326 287 I HN 0.681 nan 8.210 nan 0.000 0.462 288 T N 2.991 117.477 114.554 -0.113 0.000 2.913 288 T HA 0.581 4.936 4.350 0.008 0.000 0.297 288 T C 0.476 174.953 174.700 -0.371 0.000 1.029 288 T CA -0.822 61.154 62.100 -0.205 0.000 1.104 288 T CB 1.478 70.233 68.868 -0.188 0.000 0.964 288 T HN 0.591 nan 8.240 nan 0.000 0.532 289 A N 4.290 126.653 122.820 -0.762 0.000 2.466 289 A HA 0.493 4.818 4.320 0.008 0.000 0.238 289 A C -1.713 175.376 177.584 -0.824 0.000 1.074 289 A CA -1.325 49.829 52.037 -1.470 0.000 0.774 289 A CB -0.757 17.000 19.000 -2.070 0.000 1.015 289 A HN 0.813 nan 8.150 nan 0.000 0.498 290 P HA 0.102 nan 4.420 nan 0.000 0.269 290 P C 0.768 177.865 177.300 -0.338 0.000 1.217 290 P CA 0.618 63.489 63.100 -0.382 0.000 0.783 290 P CB 0.586 32.131 31.700 -0.259 0.000 0.898 291 A N 2.060 124.750 122.820 -0.217 0.000 1.978 291 A HA -0.184 4.141 4.320 0.008 0.000 0.220 291 A C 2.148 179.634 177.584 -0.163 0.000 1.170 291 A CA 2.209 54.141 52.037 -0.176 0.000 0.636 291 A CB -1.674 17.254 19.000 -0.120 0.000 0.810 291 A HN 0.663 nan 8.150 nan 0.000 0.448 292 S N -1.631 113.988 115.700 -0.136 0.000 2.515 292 S HA 0.006 4.481 4.470 0.008 0.000 0.231 292 S C 1.603 176.130 174.600 -0.121 0.000 0.987 292 S CA 1.253 59.396 58.200 -0.095 0.000 0.936 292 S CB -0.191 63.020 63.200 0.018 0.000 0.766 292 S HN 0.410 nan 8.310 nan 0.000 0.528 293 M N 0.414 119.874 119.600 -0.234 0.000 2.653 293 M HA 0.386 4.871 4.480 0.008 0.000 0.259 293 M C 1.762 177.817 176.300 -0.408 0.000 1.244 293 M CA 0.508 55.606 55.300 -0.338 0.000 1.163 293 M CB -0.838 31.407 32.600 -0.592 0.000 1.309 293 M HN 0.315 nan 8.290 nan 0.000 0.509 294 L N -0.052 120.937 121.223 -0.391 0.000 2.362 294 L HA -0.127 4.218 4.340 0.008 0.000 0.219 294 L C 2.216 179.031 176.870 -0.092 0.000 1.134 294 L CA 0.397 55.092 54.840 -0.241 0.000 0.807 294 L CB -0.593 41.331 42.059 -0.225 0.000 0.927 294 L HN 0.163 nan 8.230 nan 0.000 0.447 295 I N -0.360 120.151 120.570 -0.098 0.000 2.700 295 I HA -0.059 4.116 4.170 0.008 0.000 0.261 295 I C 1.112 177.212 176.117 -0.028 0.000 1.219 295 I CA 0.715 61.976 61.300 -0.064 0.000 1.463 295 I CB -0.169 37.781 38.000 -0.083 0.000 1.092 295 I HN 0.186 nan 8.210 nan 0.000 0.452 296 G N -1.728 107.079 108.800 0.010 0.000 2.650 296 G HA2 0.214 4.179 3.960 0.008 0.000 0.310 296 G HA3 0.214 4.179 3.960 0.008 0.000 0.310 296 G C -1.606 173.343 174.900 0.082 0.000 1.270 296 G CA -0.688 44.427 45.100 0.025 0.000 0.810 296 G HN -0.115 nan 8.290 nan 0.000 0.493 297 D N 1.372 121.768 120.400 -0.007 0.000 2.424 297 D HA 0.443 5.088 4.640 0.008 0.000 0.244 297 D C 0.427 176.654 176.300 -0.122 0.000 1.134 297 D CA 0.697 54.626 54.000 -0.118 0.000 0.881 297 D CB 0.413 41.120 40.800 -0.155 0.000 1.191 297 D HN 0.552 nan 8.370 nan 0.000 0.445 298 H N -0.643 118.291 119.070 -0.226 0.000 2.960 298 H HA 0.471 5.032 4.556 0.009 0.000 0.323 298 H C -1.389 173.815 175.328 -0.207 0.000 1.326 298 H CA -0.837 55.099 56.048 -0.186 0.000 1.124 298 H CB 0.436 30.212 29.762 0.023 0.000 1.853 298 H HN 0.295 nan 8.280 nan 0.000 0.536 299 Y N 0.043 120.597 120.300 0.422 0.000 2.512 299 Y HA 0.374 4.929 4.550 0.008 0.000 0.348 299 Y C -0.420 175.765 175.900 0.475 0.000 0.990 299 Y CA -1.086 57.254 58.100 0.400 0.000 1.033 299 Y CB 2.138 40.671 38.460 0.122 0.000 1.259 299 Y HN 0.503 nan 8.280 nan 0.000 0.461 300 L N 3.259 124.832 121.223 0.584 0.000 2.265 300 L HA 0.389 4.734 4.340 0.008 0.000 0.288 300 L C 0.461 177.387 176.870 0.094 0.000 1.058 300 L CA -0.123 54.708 54.840 -0.015 0.000 0.809 300 L CB 0.406 42.317 42.059 -0.247 0.000 1.179 300 L HN 1.003 nan 8.230 nan 0.000 0.429 301 C N 0.844 120.049 119.300 -0.159 0.000 3.403 301 C HA 0.581 5.046 4.460 0.008 0.000 0.317 301 C C 0.243 175.063 174.990 -0.283 0.000 1.346 301 C CA -0.201 58.648 59.018 -0.282 0.000 1.743 301 C CB -0.972 26.656 27.740 -0.186 0.000 2.308 301 C HN 0.870 nan 8.230 nan 0.000 0.675 302 D N -0.258 120.012 120.400 -0.217 0.000 2.886 302 D HA 0.579 5.224 4.640 0.008 0.000 0.216 302 D C -1.519 174.522 176.300 -0.432 0.000 1.256 302 D CA -0.143 53.752 54.000 -0.175 0.000 0.844 302 D CB 2.315 42.997 40.800 -0.197 0.000 1.669 302 D HN 0.028 nan 8.370 nan 0.000 0.513 303 V N 2.652 122.245 119.914 -0.535 0.000 2.525 303 V HA 0.674 4.799 4.120 0.008 0.000 0.299 303 V C -0.593 175.118 176.094 -0.639 0.000 1.034 303 V CA -0.460 61.281 62.300 -0.931 0.000 0.863 303 V CB 1.902 32.620 31.823 -1.843 0.000 0.999 303 V HN 0.718 nan 8.190 nan 0.000 0.423 304 T N 3.517 117.767 114.554 -0.507 0.000 3.031 304 T HA 0.346 4.701 4.350 0.008 0.000 0.305 304 T C -0.922 173.625 174.700 -0.256 0.000 0.985 304 T CA -0.475 61.486 62.100 -0.232 0.000 1.008 304 T CB 0.825 69.636 68.868 -0.095 0.000 1.005 304 T HN 0.523 nan 8.240 nan 0.000 0.444 305 W N 2.149 123.389 121.300 -0.100 0.000 2.216 305 W HA 0.485 5.150 4.660 0.008 0.000 0.326 305 W C 1.159 177.557 176.519 -0.202 0.000 1.319 305 W CA -0.379 56.902 57.345 -0.107 0.000 1.213 305 W CB 0.600 30.080 29.460 0.033 0.000 1.171 305 W HN 0.862 nan 8.180 nan 0.000 0.557 306 A N 2.127 124.838 122.820 -0.182 0.000 1.901 306 A HA 0.175 4.500 4.320 0.008 0.000 0.210 306 A C 0.997 178.544 177.584 -0.062 0.000 1.208 306 A CA 1.629 53.344 52.037 -0.537 0.000 0.644 306 A CB -0.405 17.835 19.000 -1.267 0.000 0.863 306 A HN 0.548 nan 8.150 nan 0.000 0.454 307 T N -5.721 108.892 114.554 0.098 0.000 2.590 307 T HA 0.331 4.686 4.350 0.008 0.000 0.282 307 T C 0.284 175.134 174.700 0.250 0.000 0.989 307 T CA -0.312 61.883 62.100 0.158 0.000 1.091 307 T CB 0.496 69.442 68.868 0.129 0.000 1.460 307 T HN -0.050 nan 8.240 nan 0.000 0.499 308 Q N 0.432 120.353 119.800 0.201 0.000 2.224 308 Q HA 0.091 4.436 4.340 0.008 0.000 0.203 308 Q C 0.903 177.135 176.000 0.387 0.000 0.970 308 Q CA 1.437 57.365 55.803 0.209 0.000 0.865 308 Q CB -0.080 28.748 28.738 0.151 0.000 0.922 308 Q HN 0.807 nan 8.270 nan 0.000 0.445 309 E N -0.252 120.177 120.200 0.381 0.000 2.810 309 E HA 0.188 4.543 4.350 0.008 0.000 0.214 309 E C -0.241 176.613 176.600 0.424 0.000 0.980 309 E CA -0.164 56.463 56.400 0.378 0.000 1.159 309 E CB 1.061 30.889 29.700 0.212 0.000 1.047 309 E HN -0.049 nan 8.360 nan 0.000 0.484 310 R N 1.606 122.380 120.500 0.456 0.000 2.532 310 R HA 0.543 4.888 4.340 0.008 0.000 0.297 310 R C -1.666 174.683 176.300 0.081 0.000 0.984 310 R CA -0.470 55.782 56.100 0.254 0.000 0.884 310 R CB 1.260 31.594 30.300 0.057 0.000 1.182 310 R HN 0.062 nan 8.270 nan 0.000 0.442 311 I N 3.062 123.511 120.570 -0.203 0.000 2.608 311 I HA 0.416 4.591 4.170 0.008 0.000 0.295 311 I C -0.937 174.865 176.117 -0.524 0.000 1.049 311 I CA -0.490 60.404 61.300 -0.677 0.000 1.063 311 I CB 2.198 39.355 38.000 -1.404 0.000 1.248 311 I HN 0.833 nan 8.210 nan 0.000 0.424 312 S N 7.467 122.841 115.700 -0.542 0.000 2.472 312 S HA 0.804 5.280 4.470 0.008 0.000 0.303 312 S C -1.178 173.104 174.600 -0.530 0.000 1.099 312 S CA -0.631 57.325 58.200 -0.405 0.000 1.077 312 S CB 1.612 64.685 63.200 -0.211 0.000 1.031 312 S HN 0.417 nan 8.310 nan 0.000 0.487 313 L N 2.515 123.441 121.223 -0.495 0.000 2.410 313 L HA 0.543 4.888 4.340 0.008 0.000 0.270 313 L C -0.196 176.374 176.870 -0.499 0.000 0.983 313 L CA -0.311 54.129 54.840 -0.667 0.000 0.822 313 L CB 1.979 43.547 42.059 -0.819 0.000 1.285 313 L HN 0.770 nan 8.230 nan 0.000 0.409 314 Q N 1.587 121.055 119.800 -0.554 0.000 2.282 314 Q HA 0.581 4.926 4.340 0.008 0.000 0.260 314 Q C -1.623 174.113 176.000 -0.440 0.000 0.964 314 Q CA -0.490 55.104 55.803 -0.349 0.000 0.880 314 Q CB 2.165 30.759 28.738 -0.241 0.000 1.286 314 Q HN 0.503 nan 8.270 nan 0.000 0.445 315 W N 2.226 123.477 121.300 -0.082 0.000 2.761 315 W HA 0.644 5.309 4.660 0.008 0.000 0.340 315 W C -0.873 175.675 176.519 0.050 0.000 1.072 315 W CA -0.510 56.836 57.345 0.002 0.000 1.215 315 W CB 1.294 30.730 29.460 -0.040 0.000 1.420 315 W HN 0.301 nan 8.180 nan 0.000 0.519 316 L N 2.904 124.362 121.223 0.391 0.000 2.410 316 L HA 0.542 4.887 4.340 0.008 0.000 0.270 316 L C 0.169 177.251 176.870 0.353 0.000 0.983 316 L CA -1.153 53.876 54.840 0.316 0.000 0.822 316 L CB 1.729 43.957 42.059 0.282 0.000 1.285 316 L HN 0.476 nan 8.230 nan 0.000 0.409 317 R N 1.784 122.451 120.500 0.278 0.000 2.679 317 R HA 0.136 4.482 4.340 0.008 0.000 0.269 317 R C 0.972 177.363 176.300 0.151 0.000 1.076 317 R CA -0.172 56.042 56.100 0.190 0.000 1.160 317 R CB 0.790 31.181 30.300 0.152 0.000 1.054 317 R HN 0.577 nan 8.270 nan 0.000 0.507 318 R N 1.150 121.649 120.500 -0.002 0.000 2.105 318 R HA -0.068 4.277 4.340 0.008 0.000 0.239 318 R C 0.398 176.764 176.300 0.111 0.000 1.135 318 R CA 1.106 57.199 56.100 -0.012 0.000 0.967 318 R CB 0.170 30.395 30.300 -0.125 0.000 0.861 318 R HN 0.374 nan 8.270 nan 0.000 0.442 319 I N 2.781 123.396 120.570 0.075 0.000 2.329 319 I HA 0.000 4.175 4.170 0.008 0.000 0.295 319 I C 0.261 176.442 176.117 0.106 0.000 1.109 319 I CA 0.504 61.847 61.300 0.073 0.000 1.297 319 I CB 0.975 39.001 38.000 0.043 0.000 1.433 319 I HN 0.264 nan 8.210 nan 0.000 0.509 320 Q N 4.424 124.284 119.800 0.100 0.000 2.292 320 Q HA -0.015 4.331 4.340 0.008 0.000 0.247 320 Q C 0.559 176.636 176.000 0.128 0.000 0.911 320 Q CA 0.019 55.893 55.803 0.118 0.000 0.948 320 Q CB -0.221 28.545 28.738 0.047 0.000 1.093 320 Q HN 0.611 nan 8.270 nan 0.000 0.428 321 N N -0.641 118.137 118.700 0.129 0.000 2.238 321 N HA -0.029 4.716 4.740 0.008 0.000 0.222 321 N C -1.071 174.546 175.510 0.178 0.000 1.133 321 N CA -0.200 52.917 53.050 0.112 0.000 0.854 321 N CB 0.241 38.767 38.487 0.065 0.000 1.041 321 N HN 0.191 nan 8.380 nan 0.000 0.510 322 Y N 0.846 121.170 120.300 0.040 0.000 2.323 322 Y HA 0.448 5.003 4.550 0.008 0.000 0.322 322 Y C -1.222 174.712 175.900 0.057 0.000 1.133 322 Y CA -0.825 57.297 58.100 0.037 0.000 1.093 322 Y CB 1.167 39.642 38.460 0.025 0.000 1.203 322 Y HN 0.166 nan 8.280 nan 0.000 0.427 323 S N 3.838 119.427 115.700 -0.184 0.000 2.599 323 S HA 0.946 5.421 4.470 0.008 0.000 0.294 323 S C -1.719 172.758 174.600 -0.204 0.000 1.094 323 S CA -0.796 57.359 58.200 -0.075 0.000 0.931 323 S CB 2.218 65.405 63.200 -0.022 0.000 1.093 323 S HN 0.423 nan 8.310 nan 0.000 0.488 324 V N 2.181 122.075 119.914 -0.032 0.000 2.686 324 V HA 0.506 4.631 4.120 0.008 0.000 0.306 324 V C -0.668 175.447 176.094 0.036 0.000 1.065 324 V CA -0.631 61.656 62.300 -0.021 0.000 0.894 324 V CB 1.890 33.732 31.823 0.032 0.000 1.004 324 V HN 1.029 nan 8.190 nan 0.000 0.424 325 M N 3.704 123.297 119.600 -0.012 0.000 2.129 325 M HA 0.487 4.972 4.480 0.008 0.000 0.348 325 M C -1.134 175.172 176.300 0.010 0.000 1.116 325 M CA -0.347 54.922 55.300 -0.051 0.000 1.022 325 M CB 0.918 33.415 32.600 -0.171 0.000 1.599 325 M HN 0.606 nan 8.290 nan 0.000 0.449 326 D N 5.010 125.413 120.400 0.005 0.000 2.177 326 D HA 0.449 5.094 4.640 0.008 0.000 0.247 326 D C -1.012 175.255 176.300 -0.055 0.000 1.063 326 D CA -0.013 53.991 54.000 0.006 0.000 0.867 326 D CB 1.384 42.209 40.800 0.042 0.000 1.168 326 D HN 0.517 nan 8.370 nan 0.000 0.445 327 I N 2.583 123.149 120.570 -0.007 0.000 2.355 327 I HA 0.241 4.416 4.170 0.008 0.000 0.288 327 I C -0.538 175.578 176.117 -0.002 0.000 0.999 327 I CA -0.313 60.974 61.300 -0.021 0.000 1.163 327 I CB 1.152 39.188 38.000 0.059 0.000 1.316 327 I HN 0.228 nan 8.210 nan 0.000 0.454 328 c N 4.033 122.620 118.600 -0.021 0.000 2.345 328 c HA 0.581 5.156 4.570 0.008 0.000 0.323 328 c C -0.428 173.817 174.090 0.259 0.000 1.276 328 c CA -0.797 55.588 56.329 0.093 0.000 1.543 328 c CB 0.709 43.249 42.510 0.051 0.000 2.211 328 c HN 0.623 nan 8.230 nan 0.000 0.493 329 D N 0.534 121.073 120.400 0.231 0.000 2.248 329 D HA 0.331 4.977 4.640 0.008 0.000 0.246 329 D C -0.617 175.612 176.300 -0.118 0.000 1.027 329 D CA -0.233 53.850 54.000 0.138 0.000 0.853 329 D CB 0.779 41.602 40.800 0.037 0.000 1.243 329 D HN 0.569 nan 8.370 nan 0.000 0.462 330 Y N 1.652 121.510 120.300 -0.737 0.000 2.442 330 Y HA 0.188 4.743 4.550 0.008 0.000 0.330 330 Y C -0.156 175.426 175.900 -0.531 0.000 1.129 330 Y CA -0.040 57.305 58.100 -1.258 0.000 1.365 330 Y CB 0.590 38.207 38.460 -1.404 0.000 1.233 330 Y HN 0.217 nan 8.280 nan 0.000 0.529 331 D N 5.207 124.972 120.400 -1.059 0.000 2.274 331 D HA 0.125 4.770 4.640 0.008 0.000 0.239 331 D C 0.532 176.315 176.300 -0.861 0.000 1.104 331 D CA -0.204 53.384 54.000 -0.686 0.000 0.840 331 D CB 1.134 41.680 40.800 -0.422 0.000 1.100 331 D HN 0.663 nan 8.370 nan 0.000 0.477 332 E N 1.658 121.605 120.200 -0.422 0.000 2.028 332 E HA -0.135 4.220 4.350 0.008 0.000 0.191 332 E C 1.747 178.259 176.600 -0.146 0.000 0.988 332 E CA 1.171 57.453 56.400 -0.196 0.000 0.799 332 E CB -0.356 29.326 29.700 -0.029 0.000 0.755 332 E HN 0.608 nan 8.360 nan 0.000 0.447 333 S N 0.361 115.985 115.700 -0.128 0.000 2.515 333 S HA -0.051 4.424 4.470 0.008 0.000 0.231 333 S C 1.969 176.517 174.600 -0.087 0.000 0.987 333 S CA 1.224 59.377 58.200 -0.078 0.000 0.936 333 S CB -0.077 63.087 63.200 -0.060 0.000 0.766 333 S HN 0.199 nan 8.310 nan 0.000 0.528 334 S N -0.333 115.276 115.700 -0.152 0.000 2.575 334 S HA 0.511 4.986 4.470 0.008 0.000 0.230 334 S C 1.646 176.170 174.600 -0.126 0.000 1.062 334 S CA 0.549 58.675 58.200 -0.124 0.000 0.913 334 S CB -0.363 62.759 63.200 -0.131 0.000 0.837 334 S HN 1.410 nan 8.310 nan 0.000 0.487 335 G N 1.730 110.372 108.800 -0.263 0.000 2.148 335 G HA2 -0.254 3.711 3.960 0.008 0.000 0.254 335 G HA3 -0.254 3.711 3.960 0.008 0.000 0.254 335 G C 0.111 174.929 174.900 -0.138 0.000 0.981 335 G CA 0.328 45.334 45.100 -0.156 0.000 0.670 335 G HN 0.634 nan 8.290 nan 0.000 0.528 336 R N -1.700 118.623 120.500 -0.294 0.000 2.700 336 R HA 0.637 4.982 4.340 0.008 0.000 0.253 336 R C -0.764 175.355 176.300 -0.302 0.000 1.091 336 R CA -0.801 55.229 56.100 -0.116 0.000 1.104 336 R CB 0.818 31.095 30.300 -0.038 0.000 1.202 336 R HN 0.156 nan 8.270 nan 0.000 0.532 337 W N 0.578 121.857 121.300 -0.035 0.000 2.475 337 W HA 0.377 5.042 4.660 0.009 0.000 0.317 337 W C -0.435 176.052 176.519 -0.053 0.000 1.046 337 W CA -0.361 56.963 57.345 -0.035 0.000 1.215 337 W CB 1.034 30.489 29.460 -0.008 0.000 1.335 337 W HN 0.405 nan 8.180 nan 0.000 0.471 338 N N 2.348 121.113 118.700 0.109 0.000 2.372 338 N HA 0.537 5.282 4.740 0.008 0.000 0.291 338 N C -1.461 174.089 175.510 0.066 0.000 1.024 338 N CA -0.728 52.354 53.050 0.053 0.000 0.873 338 N CB 1.202 39.682 38.487 -0.012 0.000 1.206 338 N HN 0.194 nan 8.380 nan 0.000 0.486 339 c N 3.075 121.698 118.600 0.038 0.000 2.301 339 c HA 0.339 4.914 4.570 0.008 0.000 0.313 339 c C -0.088 174.003 174.090 0.003 0.000 1.121 339 c CA -1.046 55.297 56.329 0.022 0.000 1.507 339 c CB -1.366 41.146 42.510 0.004 0.000 1.975 339 c HN 0.580 nan 8.230 nan 0.000 0.425 340 L N 2.771 123.999 121.223 0.009 0.000 2.540 340 L HA 0.015 4.360 4.340 0.008 0.000 0.276 340 L C 1.535 178.399 176.870 -0.010 0.000 1.212 340 L CA 0.482 55.321 54.840 -0.002 0.000 0.893 340 L CB 0.279 42.342 42.059 0.007 0.000 1.138 340 L HN 0.608 nan 8.230 nan 0.000 0.491 341 V N 3.797 123.697 119.914 -0.024 0.000 2.594 341 V HA -0.272 3.853 4.120 0.008 0.000 0.253 341 V C 2.154 178.224 176.094 -0.040 0.000 1.069 341 V CA 1.747 64.027 62.300 -0.034 0.000 1.082 341 V CB -0.876 30.924 31.823 -0.039 0.000 0.680 341 V HN 0.997 nan 8.190 nan 0.000 0.469 342 A N -0.241 122.558 122.820 -0.035 0.000 2.066 342 A HA -0.112 4.213 4.320 0.008 0.000 0.218 342 A C 2.292 179.839 177.584 -0.062 0.000 1.157 342 A CA 1.032 53.041 52.037 -0.047 0.000 0.670 342 A CB -0.369 18.612 19.000 -0.031 0.000 0.804 342 A HN 0.510 nan 8.150 nan 0.000 0.453 343 R N -0.354 120.135 120.500 -0.019 0.000 2.310 343 R HA 0.097 4.442 4.340 0.008 0.000 0.202 343 R C 0.098 176.423 176.300 0.042 0.000 0.933 343 R CA -0.096 56.028 56.100 0.040 0.000 1.054 343 R CB 0.075 30.438 30.300 0.106 0.000 0.985 343 R HN 0.619 nan 8.270 nan 0.000 0.489 344 Q N 0.455 120.230 119.800 -0.041 0.000 2.337 344 Q HA 0.011 4.356 4.340 0.008 0.000 0.270 344 Q C -0.888 175.012 176.000 -0.166 0.000 1.002 344 Q CA 0.674 56.461 55.803 -0.026 0.000 0.888 344 Q CB 0.664 29.379 28.738 -0.038 0.000 1.222 344 Q HN 0.203 nan 8.270 nan 0.000 0.400 345 H N 1.590 120.643 119.070 -0.029 0.000 2.800 345 H HA 0.351 4.912 4.556 0.008 0.000 0.322 345 H C -0.742 174.534 175.328 -0.087 0.000 0.979 345 H CA -0.363 55.666 56.048 -0.032 0.000 1.277 345 H CB 0.651 30.386 29.762 -0.045 0.000 1.484 345 H HN 0.460 nan 8.280 nan 0.000 0.512 346 I N 2.297 122.850 120.570 -0.028 0.000 2.474 346 I HA 0.125 4.300 4.170 0.008 0.000 0.287 346 I C 0.342 176.385 176.117 -0.123 0.000 1.048 346 I CA 0.187 61.391 61.300 -0.161 0.000 1.383 346 I CB 0.832 38.708 38.000 -0.207 0.000 1.412 346 I HN 0.565 nan 8.210 nan 0.000 0.531 347 E N 8.356 128.434 120.200 -0.203 0.000 2.216 347 E HA 0.518 4.873 4.350 0.008 0.000 0.260 347 E C -1.109 175.386 176.600 -0.175 0.000 0.880 347 E CA -0.700 55.628 56.400 -0.120 0.000 0.765 347 E CB 1.287 30.946 29.700 -0.068 0.000 1.174 347 E HN 0.606 nan 8.360 nan 0.000 0.417 348 M N 1.239 120.777 119.600 -0.103 0.000 2.719 348 M HA 0.672 5.157 4.480 0.008 0.000 0.291 348 M C -1.073 175.221 176.300 -0.009 0.000 1.264 348 M CA -0.923 54.347 55.300 -0.050 0.000 0.811 348 M CB 2.311 34.917 32.600 0.010 0.000 1.756 348 M HN 0.249 nan 8.290 nan 0.000 0.464 349 S N -0.490 115.211 115.700 0.002 0.000 2.575 349 S HA 0.499 4.974 4.470 0.008 0.000 0.278 349 S C 0.202 174.782 174.600 -0.034 0.000 1.139 349 S CA 0.007 58.185 58.200 -0.035 0.000 0.954 349 S CB 1.759 64.896 63.200 -0.105 0.000 1.054 349 S HN 0.923 nan 8.310 nan 0.000 0.483 350 T N 0.005 114.539 114.554 -0.035 0.000 3.051 350 T HA 0.047 4.402 4.350 0.008 0.000 0.255 350 T C 1.482 176.146 174.700 -0.060 0.000 1.085 350 T CA 1.038 63.121 62.100 -0.029 0.000 1.109 350 T CB -0.425 68.436 68.868 -0.011 0.000 0.921 350 T HN 0.678 nan 8.240 nan 0.000 0.488 351 T N -2.141 112.355 114.554 -0.097 0.000 3.022 351 T HA 0.616 4.971 4.350 0.008 0.000 0.250 351 T C 1.088 175.570 174.700 -0.364 0.000 1.060 351 T CA 0.290 62.323 62.100 -0.113 0.000 1.013 351 T CB 0.448 69.326 68.868 0.017 0.000 0.982 351 T HN 0.628 nan 8.240 nan 0.000 0.508 352 G N 0.466 108.890 108.800 -0.626 0.000 2.696 352 G HA2 0.477 4.442 3.960 0.008 0.000 0.151 352 G HA3 0.477 4.442 3.960 0.008 0.000 0.151 352 G C -1.697 172.936 174.900 -0.445 0.000 1.197 352 G CA -0.568 43.985 45.100 -0.912 0.000 1.053 352 G HN 0.485 nan 8.290 nan 0.000 0.546 353 W N -0.382 120.665 121.300 -0.421 0.000 2.367 353 W HA 0.788 5.454 4.660 0.009 0.000 0.369 353 W C -0.234 176.231 176.519 -0.089 0.000 1.276 353 W CA -1.400 55.827 57.345 -0.197 0.000 1.415 353 W CB 0.990 30.319 29.460 -0.219 0.000 1.306 353 W HN 0.447 nan 8.180 nan 0.000 0.669 354 V N 3.091 123.081 119.914 0.127 0.000 2.407 354 V HA 0.747 4.872 4.120 0.008 0.000 0.278 354 V C 0.458 176.621 176.094 0.115 0.000 1.037 354 V CA 0.614 62.942 62.300 0.046 0.000 0.900 354 V CB 0.220 32.061 31.823 0.031 0.000 0.983 354 V HN 1.642 nan 8.190 nan 0.000 0.459 355 G N 6.317 115.139 108.800 0.036 0.000 2.796 355 G HA2 -0.201 3.764 3.960 0.008 0.000 0.571 355 G HA3 -0.201 3.764 3.960 0.008 0.000 0.571 355 G C 0.274 175.239 174.900 0.108 0.000 1.370 355 G CA 0.285 45.428 45.100 0.072 0.000 0.856 355 G HN 0.857 nan 8.290 nan 0.000 0.538 356 R N -1.029 119.534 120.500 0.105 0.000 2.055 356 R HA 0.156 4.501 4.340 0.008 0.000 0.228 356 R C 2.143 178.422 176.300 -0.036 0.000 1.143 356 R CA 2.212 58.333 56.100 0.034 0.000 0.945 356 R CB -0.134 30.189 30.300 0.039 0.000 0.841 356 R HN 0.468 nan 8.270 nan 0.000 0.429 357 F N -0.852 119.223 119.950 0.208 0.000 2.778 357 F HA 0.249 4.781 4.527 0.008 0.000 0.314 357 F C 0.459 176.274 175.800 0.024 0.000 1.073 357 F CA -0.454 57.613 58.000 0.112 0.000 1.218 357 F CB 0.699 39.759 39.000 0.100 0.000 1.037 357 F HN -0.093 nan 8.300 nan 0.000 0.594 358 R N -0.843 119.781 120.500 0.206 0.000 2.716 358 R HA 0.482 4.827 4.340 0.008 0.000 0.271 358 R C -3.307 173.036 176.300 0.072 0.000 1.028 358 R CA -2.041 54.103 56.100 0.073 0.000 0.883 358 R CB 0.360 30.643 30.300 -0.028 0.000 1.250 358 R HN -0.355 nan 8.270 nan 0.000 0.465 359 P HA -0.034 nan 4.420 nan 0.000 0.264 359 P C -0.312 176.993 177.300 0.008 0.000 1.183 359 P CA 0.191 63.296 63.100 0.009 0.000 0.763 359 P CB 0.872 32.553 31.700 -0.032 0.000 0.807 360 S N 2.113 117.832 115.700 0.032 0.000 2.576 360 S HA 0.052 4.528 4.470 0.008 0.000 0.272 360 S C 0.244 174.851 174.600 0.010 0.000 1.352 360 S CA -0.571 57.665 58.200 0.059 0.000 1.021 360 S CB 0.031 63.288 63.200 0.095 0.000 0.887 360 S HN 0.461 nan 8.310 nan 0.000 0.542 361 E N 4.180 124.402 120.200 0.036 0.000 2.301 361 E HA 0.360 4.715 4.350 0.008 0.000 0.275 361 E C -2.746 173.814 176.600 -0.067 0.000 1.030 361 E CA -2.206 54.166 56.400 -0.046 0.000 0.852 361 E CB 0.510 30.185 29.700 -0.041 0.000 1.060 361 E HN 0.308 nan 8.360 nan 0.000 0.401 362 P HA 0.193 nan 4.420 nan 0.000 0.278 362 P C -0.694 176.451 177.300 -0.257 0.000 1.238 362 P CA -0.170 62.766 63.100 -0.274 0.000 0.794 362 P CB 0.606 31.825 31.700 -0.802 0.000 0.955 363 H N 2.191 121.270 119.070 0.015 0.000 2.792 363 H HA 0.288 4.849 4.556 0.008 0.000 0.298 363 H C -0.250 175.203 175.328 0.207 0.000 1.042 363 H CA -0.342 55.805 56.048 0.166 0.000 1.300 363 H CB 0.242 30.123 29.762 0.199 0.000 1.431 363 H HN 0.312 nan 8.280 nan 0.000 0.496 364 F N 1.870 122.001 119.950 0.301 0.000 2.389 364 F HA 0.055 4.587 4.527 0.008 0.000 0.337 364 F C 1.577 177.564 175.800 0.311 0.000 1.112 364 F CA -0.420 57.764 58.000 0.307 0.000 1.192 364 F CB 0.981 40.094 39.000 0.188 0.000 1.185 364 F HN 0.360 nan 8.300 nan 0.000 0.552 365 T N 0.703 115.552 114.554 0.492 0.000 2.860 365 T HA 0.092 4.447 4.350 0.008 0.000 0.299 365 T C 1.076 175.964 174.700 0.314 0.000 1.045 365 T CA -0.795 61.531 62.100 0.376 0.000 1.071 365 T CB 0.793 69.861 68.868 0.334 0.000 0.985 365 T HN 0.600 nan 8.240 nan 0.000 0.537 366 L N 1.323 122.687 121.223 0.234 0.000 2.081 366 L HA -0.108 4.237 4.340 0.008 0.000 0.212 366 L C 2.154 179.126 176.870 0.169 0.000 1.080 366 L CA 2.350 57.301 54.840 0.185 0.000 0.754 366 L CB -0.926 41.219 42.059 0.142 0.000 0.893 366 L HN 0.945 nan 8.230 nan 0.000 0.433 367 D N -1.307 119.194 120.400 0.168 0.000 2.363 367 D HA 0.025 4.671 4.640 0.008 0.000 0.220 367 D C 1.647 178.044 176.300 0.162 0.000 0.994 367 D CA 0.797 54.885 54.000 0.146 0.000 0.890 367 D CB -0.555 40.321 40.800 0.128 0.000 0.906 367 D HN 0.416 nan 8.370 nan 0.000 0.530 368 G N 0.714 109.647 108.800 0.222 0.000 2.153 368 G HA2 -0.336 3.629 3.960 0.008 0.000 0.252 368 G HA3 -0.336 3.629 3.960 0.008 0.000 0.252 368 G C 0.834 175.919 174.900 0.308 0.000 0.994 368 G CA 0.402 45.651 45.100 0.248 0.000 0.698 368 G HN 0.387 nan 8.290 nan 0.000 0.521 369 N N -0.114 118.747 118.700 0.268 0.000 2.299 369 N HA 0.209 4.954 4.740 0.008 0.000 0.187 369 N C 0.477 176.101 175.510 0.190 0.000 1.099 369 N CA 0.899 54.077 53.050 0.214 0.000 0.867 369 N CB 0.550 39.120 38.487 0.137 0.000 0.974 369 N HN 0.396 nan 8.380 nan 0.000 0.477 370 S N -0.241 115.601 115.700 0.237 0.000 2.588 370 S HA 0.710 5.185 4.470 0.008 0.000 0.275 370 S C -1.268 173.403 174.600 0.117 0.000 1.130 370 S CA -0.771 57.437 58.200 0.013 0.000 0.855 370 S CB 1.677 64.858 63.200 -0.033 0.000 1.116 370 S HN 0.211 nan 8.310 nan 0.000 0.472 371 F N -0.650 119.119 119.950 -0.301 0.000 2.668 371 F HA 0.771 5.303 4.527 0.008 0.000 0.309 371 F C -2.097 173.545 175.800 -0.263 0.000 1.117 371 F CA -1.313 56.462 58.000 -0.374 0.000 0.951 371 F CB 0.700 39.044 39.000 -1.094 0.000 1.323 371 F HN 0.492 nan 8.300 nan 0.000 0.451 372 Y N 1.322 121.748 120.300 0.210 0.000 2.377 372 Y HA 0.670 5.225 4.550 0.008 0.000 0.339 372 Y C -0.421 175.638 175.900 0.265 0.000 1.011 372 Y CA -0.831 57.393 58.100 0.206 0.000 1.093 372 Y CB 2.182 40.722 38.460 0.133 0.000 1.201 372 Y HN 0.724 nan 8.280 nan 0.000 0.455 373 K N 1.130 121.763 120.400 0.390 0.000 2.536 373 K HA 0.672 4.997 4.320 0.008 0.000 0.269 373 K C -1.780 174.961 176.600 0.236 0.000 0.965 373 K CA -0.762 55.700 56.287 0.292 0.000 0.860 373 K CB 1.758 34.362 32.500 0.173 0.000 1.423 373 K HN 0.579 nan 8.250 nan 0.000 0.438 374 I N 3.410 124.090 120.570 0.183 0.000 2.396 374 I HA 0.311 4.486 4.170 0.008 0.000 0.289 374 I C -0.011 176.196 176.117 0.151 0.000 1.056 374 I CA -0.492 60.899 61.300 0.151 0.000 1.365 374 I CB 0.283 38.354 38.000 0.118 0.000 1.407 374 I HN 0.613 nan 8.210 nan 0.000 0.509 375 I N 2.347 123.036 120.570 0.199 0.000 2.969 375 I HA 0.555 4.730 4.170 0.008 0.000 0.307 375 I C -0.123 176.121 176.117 0.213 0.000 1.149 375 I CA -0.855 60.558 61.300 0.190 0.000 1.008 375 I CB 2.235 40.366 38.000 0.219 0.000 1.232 375 I HN 0.469 nan 8.210 nan 0.000 0.435 376 S N 2.209 117.971 115.700 0.104 0.000 2.548 376 S HA 0.302 4.777 4.470 0.008 0.000 0.277 376 S C -0.047 174.596 174.600 0.071 0.000 1.315 376 S CA -0.752 57.459 58.200 0.020 0.000 1.050 376 S CB 0.404 63.541 63.200 -0.105 0.000 0.918 376 S HN 0.808 nan 8.310 nan 0.000 0.497 377 N N 1.658 120.277 118.700 -0.134 0.000 2.328 377 N HA 0.037 4.782 4.740 0.008 0.000 0.277 377 N C 1.168 176.579 175.510 -0.165 0.000 1.286 377 N CA -0.277 52.548 53.050 -0.375 0.000 0.949 377 N CB 0.007 37.917 38.487 -0.962 0.000 1.136 377 N HN 0.719 nan 8.380 nan 0.000 0.550 378 E N -0.426 119.671 120.200 -0.171 0.000 2.204 378 E HA -0.259 4.096 4.350 0.008 0.000 0.194 378 E C 0.798 177.338 176.600 -0.099 0.000 0.989 378 E CA 1.480 57.824 56.400 -0.093 0.000 0.824 378 E CB -0.649 29.008 29.700 -0.070 0.000 0.756 378 E HN 0.923 nan 8.360 nan 0.000 0.477 379 E N 0.187 120.320 120.200 -0.111 0.000 2.489 379 E HA 0.156 4.511 4.350 0.008 0.000 0.193 379 E C 1.002 177.516 176.600 -0.144 0.000 1.057 379 E CA 0.487 56.852 56.400 -0.059 0.000 0.866 379 E CB -0.021 29.700 29.700 0.035 0.000 0.916 379 E HN 0.296 nan 8.360 nan 0.000 0.500 380 G N 0.467 109.148 108.800 -0.198 0.000 2.157 380 G HA2 -0.275 3.690 3.960 0.008 0.000 0.239 380 G HA3 -0.275 3.690 3.960 0.008 0.000 0.239 380 G C -0.371 174.251 174.900 -0.463 0.000 0.982 380 G CA 0.129 45.024 45.100 -0.342 0.000 0.650 380 G HN 0.300 nan 8.290 nan 0.000 0.527 381 Y N 0.540 120.713 120.300 -0.210 0.000 2.323 381 Y HA 0.637 5.192 4.550 0.009 0.000 0.331 381 Y C 1.231 176.984 175.900 -0.245 0.000 1.092 381 Y CA -0.830 57.132 58.100 -0.231 0.000 1.150 381 Y CB 0.933 39.266 38.460 -0.212 0.000 1.200 381 Y HN 0.048 nan 8.280 nan 0.000 0.472 382 R N 3.703 124.096 120.500 -0.178 0.000 2.248 382 R HA 0.261 4.606 4.340 0.008 0.000 0.328 382 R C -0.797 175.242 176.300 -0.436 0.000 1.067 382 R CA -0.098 55.890 56.100 -0.186 0.000 0.924 382 R CB 0.104 30.336 30.300 -0.114 0.000 1.013 382 R HN 0.661 nan 8.270 nan 0.000 0.454 383 H N 1.743 120.787 119.070 -0.043 0.000 2.949 383 H HA 0.326 4.887 4.556 0.009 0.000 0.356 383 H C -0.120 175.278 175.328 0.118 0.000 1.212 383 H CA -0.961 55.040 56.048 -0.078 0.000 1.136 383 H CB 1.714 31.317 29.762 -0.264 0.000 1.869 383 H HN 0.325 nan 8.280 nan 0.000 0.556 384 I N 1.444 122.102 120.570 0.146 0.000 2.452 384 I HA 0.014 4.189 4.170 0.008 0.000 0.287 384 I C 0.397 176.567 176.117 0.087 0.000 1.079 384 I CA 0.205 61.555 61.300 0.083 0.000 1.387 384 I CB 0.209 38.162 38.000 -0.079 0.000 1.404 384 I HN 0.141 nan 8.210 nan 0.000 0.522 385 c N 7.011 125.601 118.600 -0.017 0.000 2.376 385 c HA 0.377 4.952 4.570 0.008 0.000 0.335 385 c C -0.297 173.650 174.090 -0.239 0.000 1.229 385 c CA -0.597 55.488 56.329 -0.407 0.000 1.867 385 c CB 0.777 42.766 42.510 -0.867 0.000 2.319 385 c HN 0.699 nan 8.230 nan 0.000 0.515 386 Y N 4.332 124.275 120.300 -0.596 0.000 2.335 386 Y HA 0.617 5.172 4.550 0.008 0.000 0.339 386 Y C -0.917 174.492 175.900 -0.818 0.000 0.987 386 Y CA -0.507 57.193 58.100 -0.668 0.000 1.140 386 Y CB 0.411 38.556 38.460 -0.524 0.000 1.173 386 Y HN 0.665 nan 8.280 nan 0.000 0.486 387 F N 4.031 123.213 119.950 -1.281 0.000 2.522 387 F HA 0.412 4.944 4.527 0.008 0.000 0.324 387 F C -0.311 174.742 175.800 -1.245 0.000 1.077 387 F CA -0.917 56.321 58.000 -1.271 0.000 0.944 387 F CB 1.656 39.580 39.000 -1.792 0.000 1.175 387 F HN 0.337 nan 8.300 nan 0.000 0.468 388 Q N 3.075 122.539 119.800 -0.559 0.000 2.271 388 Q HA 0.288 4.633 4.340 0.008 0.000 0.258 388 Q C 0.968 176.955 176.000 -0.021 0.000 0.936 388 Q CA -0.531 55.084 55.803 -0.314 0.000 0.909 388 Q CB 2.265 30.869 28.738 -0.224 0.000 1.253 388 Q HN 0.639 nan 8.270 nan 0.000 0.440 389 I N 1.407 122.027 120.570 0.083 0.000 2.236 389 I HA -0.280 3.895 4.170 0.008 0.000 0.249 389 I C 1.019 177.310 176.117 0.290 0.000 1.102 389 I CA 1.675 63.144 61.300 0.281 0.000 1.365 389 I CB -0.335 37.818 38.000 0.255 0.000 1.051 389 I HN 0.563 nan 8.210 nan 0.000 0.420 390 D N 0.306 120.791 120.400 0.142 0.000 2.349 390 D HA 0.075 4.720 4.640 0.008 0.000 0.214 390 D C 0.581 176.898 176.300 0.030 0.000 1.063 390 D CA 0.376 54.421 54.000 0.076 0.000 0.847 390 D CB 0.551 41.376 40.800 0.042 0.000 0.933 390 D HN 0.332 nan 8.370 nan 0.000 0.513 391 K N 0.225 120.656 120.400 0.052 0.000 2.259 391 K HA 0.263 4.588 4.320 0.008 0.000 0.252 391 K C 0.726 177.334 176.600 0.014 0.000 0.936 391 K CA -0.623 55.662 56.287 -0.003 0.000 0.810 391 K CB 2.668 35.141 32.500 -0.046 0.000 1.143 391 K HN -0.340 nan 8.250 nan 0.000 0.427 392 K N 0.801 121.170 120.400 -0.052 0.000 2.103 392 K HA -0.018 4.307 4.320 0.008 0.000 0.204 392 K C -0.210 176.387 176.600 -0.005 0.000 1.052 392 K CA 1.334 57.593 56.287 -0.048 0.000 0.945 392 K CB 0.220 32.680 32.500 -0.066 0.000 0.722 392 K HN 0.497 nan 8.250 nan 0.000 0.443 393 D N 0.592 120.944 120.400 -0.080 0.000 2.312 393 D HA 0.066 4.711 4.640 0.008 0.000 0.252 393 D C -0.255 175.842 176.300 -0.338 0.000 1.150 393 D CA -0.196 53.705 54.000 -0.166 0.000 0.870 393 D CB 0.830 41.550 40.800 -0.133 0.000 1.153 393 D HN 0.339 nan 8.370 nan 0.000 0.457 394 c N 1.000 119.244 118.600 -0.593 0.000 2.358 394 c HA 0.857 5.433 4.570 0.008 0.000 0.354 394 c C 0.518 174.226 174.090 -0.636 0.000 1.183 394 c CA -0.816 54.939 56.329 -0.958 0.000 2.150 394 c CB 1.028 42.307 42.510 -2.052 0.000 2.361 394 c HN 0.623 nan 8.230 nan 0.000 0.535 395 T N 0.117 114.364 114.554 -0.511 0.000 2.797 395 T HA 0.594 4.949 4.350 0.008 0.000 0.279 395 T C -0.796 173.712 174.700 -0.321 0.000 0.991 395 T CA -0.301 61.633 62.100 -0.277 0.000 0.979 395 T CB 0.374 69.216 68.868 -0.044 0.000 0.943 395 T HN 0.536 nan 8.240 nan 0.000 0.444 396 F N 3.789 123.631 119.950 -0.180 0.000 2.495 396 F HA 0.301 4.833 4.527 0.008 0.000 0.365 396 F C 1.595 177.243 175.800 -0.254 0.000 1.090 396 F CA -0.857 57.023 58.000 -0.200 0.000 1.235 396 F CB 0.673 39.559 39.000 -0.191 0.000 1.119 396 F HN 0.690 nan 8.300 nan 0.000 0.562 397 I N -0.686 119.774 120.570 -0.183 0.000 3.941 397 I HA 0.218 4.393 4.170 0.008 0.000 0.321 397 I C 0.294 176.245 176.117 -0.277 0.000 1.284 397 I CA 0.128 61.100 61.300 -0.546 0.000 1.226 397 I CB 0.140 37.537 38.000 -1.005 0.000 1.045 397 I HN 0.493 nan 8.210 nan 0.000 0.420 398 T N -0.885 113.568 114.554 -0.169 0.000 2.907 398 T HA 0.627 4.982 4.350 0.008 0.000 0.292 398 T C -0.587 173.771 174.700 -0.570 0.000 1.043 398 T CA -0.727 61.252 62.100 -0.201 0.000 1.003 398 T CB 2.808 71.630 68.868 -0.077 0.000 1.084 398 T HN 0.059 nan 8.240 nan 0.000 0.483 399 K N 0.077 120.002 120.400 -0.792 0.000 2.556 399 K HA 0.781 5.106 4.320 0.008 0.000 0.274 399 K C -0.357 175.632 176.600 -1.019 0.000 0.966 399 K CA -0.409 55.202 56.287 -1.126 0.000 0.865 399 K CB 2.143 34.322 32.500 -0.536 0.000 1.444 399 K HN 1.397 nan 8.250 nan 0.000 0.433 400 G N -0.337 107.864 108.800 -0.999 0.000 2.359 400 G HA2 -0.039 3.926 3.960 0.008 0.000 0.314 400 G HA3 -0.039 3.926 3.960 0.008 0.000 0.314 400 G C -0.847 173.517 174.900 -0.894 0.000 1.364 400 G CA -0.391 44.291 45.100 -0.697 0.000 0.978 400 G HN 0.452 nan 8.290 nan 0.000 0.615 401 T N -0.422 113.731 114.554 -0.668 0.000 3.855 401 T HA 0.581 4.936 4.350 0.008 0.000 0.306 401 T C 0.163 174.564 174.700 -0.498 0.000 1.575 401 T CA 0.434 61.899 62.100 -1.057 0.000 1.214 401 T CB -0.914 67.613 68.868 -0.568 0.000 1.262 401 T HN 1.525 nan 8.240 nan 0.000 0.883 402 W N -0.372 120.656 121.300 -0.453 0.000 2.881 402 W HA 0.626 5.291 4.660 0.008 0.000 0.380 402 W C -1.651 174.789 176.519 -0.132 0.000 1.170 402 W CA -0.960 56.294 57.345 -0.152 0.000 1.171 402 W CB 0.624 30.019 29.460 -0.108 0.000 1.464 402 W HN 0.189 nan 8.180 nan 0.000 0.574 403 E N 0.870 121.217 120.200 0.246 0.000 2.293 403 E HA 0.425 4.780 4.350 0.008 0.000 0.270 403 E C -1.112 175.586 176.600 0.163 0.000 0.879 403 E CA -1.131 55.233 56.400 -0.060 0.000 0.756 403 E CB 3.451 33.174 29.700 0.039 0.000 1.208 403 E HN 0.179 nan 8.360 nan 0.000 0.428 404 V N 4.413 124.293 119.914 -0.057 0.000 2.508 404 V HA -0.007 4.119 4.120 0.008 0.000 0.281 404 V C 1.242 177.428 176.094 0.155 0.000 1.041 404 V CA 0.065 62.446 62.300 0.136 0.000 1.016 404 V CB 0.445 32.257 31.823 -0.018 0.000 0.984 404 V HN 0.697 nan 8.190 nan 0.000 0.478 405 I N 3.330 124.025 120.570 0.209 0.000 2.339 405 I HA 0.233 4.409 4.170 0.008 0.000 0.245 405 I C 1.142 177.380 176.117 0.203 0.000 1.096 405 I CA 1.191 62.611 61.300 0.199 0.000 1.408 405 I CB -0.809 37.254 38.000 0.104 0.000 1.092 405 I HN 0.739 nan 8.210 nan 0.000 0.423 406 G N 0.656 109.576 108.800 0.200 0.000 2.703 406 G HA2 0.565 4.530 3.960 0.008 0.000 0.294 406 G HA3 0.565 4.530 3.960 0.008 0.000 0.294 406 G C -1.204 173.796 174.900 0.167 0.000 1.451 406 G CA -0.540 44.673 45.100 0.188 0.000 0.869 406 G HN -0.032 nan 8.290 nan 0.000 0.516 407 I N 1.623 122.229 120.570 0.060 0.000 2.371 407 I HA 0.242 4.417 4.170 0.008 0.000 0.290 407 I C 0.775 176.830 176.117 -0.102 0.000 1.028 407 I CA -0.496 60.732 61.300 -0.120 0.000 1.345 407 I CB 1.623 39.310 38.000 -0.521 0.000 1.407 407 I HN 0.490 nan 8.210 nan 0.000 0.501 408 E N 4.725 124.929 120.200 0.006 0.000 2.175 408 E HA 0.328 4.683 4.350 0.008 0.000 0.195 408 E C 0.156 176.732 176.600 -0.039 0.000 0.934 408 E CA 0.346 56.804 56.400 0.096 0.000 0.870 408 E CB 0.519 30.373 29.700 0.257 0.000 0.838 408 E HN 0.668 nan 8.360 nan 0.000 0.474 409 A N 0.699 123.381 122.820 -0.230 0.000 2.574 409 A HA 0.607 4.933 4.320 0.008 0.000 0.297 409 A C -1.828 175.676 177.584 -0.134 0.000 1.062 409 A CA -0.612 51.222 52.037 -0.338 0.000 0.686 409 A CB 1.398 19.751 19.000 -1.079 0.000 1.285 409 A HN 0.059 nan 8.150 nan 0.000 0.403 410 L N 1.853 123.046 121.223 -0.049 0.000 2.376 410 L HA 0.796 5.141 4.340 0.008 0.000 0.275 410 L C 0.337 177.232 176.870 0.042 0.000 0.987 410 L CA 0.433 55.272 54.840 -0.002 0.000 0.828 410 L CB 1.793 43.886 42.059 0.056 0.000 1.249 410 L HN 1.105 nan 8.230 nan 0.000 0.409 411 T N -0.155 114.434 114.554 0.059 0.000 2.804 411 T HA 0.328 4.683 4.350 0.008 0.000 0.272 411 T C 0.881 175.608 174.700 0.046 0.000 0.986 411 T CA 0.189 62.336 62.100 0.077 0.000 0.999 411 T CB 1.143 70.094 68.868 0.138 0.000 1.307 411 T HN 0.416 nan 8.240 nan 0.000 0.586 412 S N -0.437 115.287 115.700 0.039 0.000 2.402 412 S HA -0.077 4.398 4.470 0.008 0.000 0.229 412 S C 0.982 175.533 174.600 -0.081 0.000 1.021 412 S CA 1.579 59.783 58.200 0.007 0.000 0.974 412 S CB -0.805 62.404 63.200 0.015 0.000 0.800 412 S HN 0.697 nan 8.310 nan 0.000 0.484 413 D N -1.542 118.759 120.400 -0.165 0.000 2.454 413 D HA 0.204 4.849 4.640 0.008 0.000 0.219 413 D C -0.643 175.169 176.300 -0.813 0.000 1.081 413 D CA 0.310 54.014 54.000 -0.493 0.000 0.867 413 D CB 0.493 40.917 40.800 -0.626 0.000 1.054 413 D HN 0.407 nan 8.370 nan 0.000 0.500 414 Y N 0.433 120.663 120.300 -0.116 0.000 2.492 414 Y HA 0.389 4.944 4.550 0.008 0.000 0.346 414 Y C -0.518 175.183 175.900 -0.332 0.000 0.997 414 Y CA -1.192 56.742 58.100 -0.277 0.000 1.025 414 Y CB 2.355 40.533 38.460 -0.470 0.000 1.263 414 Y HN -0.242 nan 8.280 nan 0.000 0.454 415 L N 3.638 124.716 121.223 -0.241 0.000 2.307 415 L HA 0.532 4.877 4.340 0.008 0.000 0.284 415 L C -1.754 174.951 176.870 -0.276 0.000 1.023 415 L CA -0.972 53.708 54.840 -0.267 0.000 0.810 415 L CB 0.559 42.385 42.059 -0.387 0.000 1.231 415 L HN 0.682 nan 8.230 nan 0.000 0.423 416 Y N 5.659 125.899 120.300 -0.101 0.000 2.377 416 Y HA 0.568 5.123 4.550 0.008 0.000 0.339 416 Y C -0.296 175.637 175.900 0.055 0.000 1.011 416 Y CA -0.398 57.658 58.100 -0.073 0.000 1.093 416 Y CB 1.597 39.910 38.460 -0.245 0.000 1.201 416 Y HN 0.583 nan 8.280 nan 0.000 0.455 417 Y N -0.053 120.322 120.300 0.124 0.000 2.638 417 Y HA 0.801 5.356 4.550 0.008 0.000 0.335 417 Y C -1.911 174.083 175.900 0.156 0.000 1.155 417 Y CA -1.875 56.285 58.100 0.099 0.000 1.046 417 Y CB 1.116 39.606 38.460 0.050 0.000 1.303 417 Y HN 0.433 nan 8.280 nan 0.000 0.460 418 I N 2.989 123.707 120.570 0.247 0.000 2.441 418 I HA 0.672 4.847 4.170 0.008 0.000 0.295 418 I C -0.398 175.873 176.117 0.257 0.000 0.994 418 I CA -0.428 60.963 61.300 0.152 0.000 1.144 418 I CB 2.017 40.071 38.000 0.091 0.000 1.314 418 I HN 0.861 nan 8.210 nan 0.000 0.445 419 S N 2.977 118.788 115.700 0.184 0.000 2.638 419 S HA 0.403 4.878 4.470 0.008 0.000 0.274 419 S C -0.628 174.004 174.600 0.053 0.000 1.157 419 S CA -0.928 57.376 58.200 0.173 0.000 0.826 419 S CB 1.624 64.945 63.200 0.201 0.000 1.139 419 S HN 0.633 nan 8.310 nan 0.000 0.474 420 N N -0.160 118.573 118.700 0.054 0.000 2.376 420 N HA 0.152 4.897 4.740 0.008 0.000 0.249 420 N C 0.498 175.969 175.510 -0.065 0.000 1.140 420 N CA -0.342 52.699 53.050 -0.015 0.000 0.870 420 N CB 0.325 38.795 38.487 -0.028 0.000 1.124 420 N HN 0.815 nan 8.380 nan 0.000 0.505 421 E N 0.032 120.054 120.200 -0.296 0.000 2.072 421 E HA -0.158 4.197 4.350 0.008 0.000 0.190 421 E C -0.380 176.051 176.600 -0.282 0.000 0.982 421 E CA 0.057 56.050 56.400 -0.678 0.000 0.803 421 E CB -0.089 28.580 29.700 -1.717 0.000 0.755 421 E HN 0.510 nan 8.360 nan 0.000 0.453 422 Y N 2.199 122.384 120.300 -0.193 0.000 2.852 422 Y HA -0.185 4.370 4.550 0.008 0.000 0.343 422 Y C 0.236 176.082 175.900 -0.089 0.000 1.280 422 Y CA 0.958 59.001 58.100 -0.095 0.000 1.604 422 Y CB 0.096 38.531 38.460 -0.041 0.000 1.216 422 Y HN 0.090 nan 8.280 nan 0.000 0.541 423 K N 3.576 123.681 120.400 -0.492 0.000 3.209 423 K HA -0.232 4.093 4.320 0.008 0.000 0.289 423 K C 0.764 177.269 176.600 -0.157 0.000 1.191 423 K CA 0.687 56.743 56.287 -0.385 0.000 0.851 423 K CB -1.896 30.325 32.500 -0.465 0.000 1.242 423 K HN 1.251 nan 8.250 nan 0.000 0.480 424 G N 0.927 109.650 108.800 -0.127 0.000 2.283 424 G HA2 -0.325 3.640 3.960 0.008 0.000 0.280 424 G HA3 -0.325 3.640 3.960 0.008 0.000 0.280 424 G C 0.037 174.894 174.900 -0.072 0.000 1.029 424 G CA 0.945 46.013 45.100 -0.053 0.000 0.840 424 G HN 0.347 nan 8.290 nan 0.000 0.505 425 M N -0.030 119.463 119.600 -0.177 0.000 2.055 425 M HA 0.251 4.736 4.480 0.008 0.000 0.347 425 M C -1.409 174.638 176.300 -0.422 0.000 1.123 425 M CA -2.046 52.994 55.300 -0.434 0.000 1.035 425 M CB 1.780 34.190 32.600 -0.317 0.000 1.484 425 M HN -0.137 nan 8.290 nan 0.000 0.428 426 P HA -0.043 nan 4.420 nan 0.000 0.225 426 P C 1.100 178.249 177.300 -0.252 0.000 1.148 426 P CA 0.888 63.806 63.100 -0.304 0.000 0.779 426 P CB 0.229 31.754 31.700 -0.292 0.000 0.780 427 G N -1.135 107.456 108.800 -0.348 0.000 3.233 427 G HA2 0.318 4.283 3.960 0.008 0.000 0.234 427 G HA3 0.318 4.283 3.960 0.008 0.000 0.234 427 G C 0.610 175.498 174.900 -0.018 0.000 1.137 427 G CA 0.020 45.035 45.100 -0.140 0.000 0.763 427 G HN 0.365 nan 8.290 nan 0.000 0.549 428 G N -0.146 108.589 108.800 -0.108 0.000 2.491 428 G HA2 0.644 4.609 3.960 0.008 0.000 0.327 428 G HA3 0.644 4.609 3.960 0.008 0.000 0.327 428 G C -0.856 173.908 174.900 -0.227 0.000 1.189 428 G CA -0.725 44.336 45.100 -0.066 0.000 0.956 428 G HN 0.074 nan 8.290 nan 0.000 0.491 429 R N 0.327 120.665 120.500 -0.271 0.000 2.510 429 R HA 0.335 4.680 4.340 0.008 0.000 0.287 429 R C -1.380 174.878 176.300 -0.071 0.000 1.084 429 R CA -0.763 55.151 56.100 -0.311 0.000 0.934 429 R CB 1.671 31.528 30.300 -0.740 0.000 1.201 429 R HN 0.699 nan 8.270 nan 0.000 0.431 430 N N 0.764 119.449 118.700 -0.026 0.000 2.284 430 N HA 0.454 5.199 4.740 0.008 0.000 0.289 430 N C -1.401 173.989 175.510 -0.199 0.000 1.179 430 N CA -0.795 52.175 53.050 -0.134 0.000 0.774 430 N CB 2.230 40.544 38.487 -0.289 0.000 1.548 430 N HN 0.250 nan 8.380 nan 0.000 0.473 431 L N 2.197 123.158 121.223 -0.436 0.000 2.292 431 L HA 0.510 4.855 4.340 0.008 0.000 0.284 431 L C -1.588 174.914 176.870 -0.614 0.000 1.065 431 L CA -0.016 54.594 54.840 -0.384 0.000 0.806 431 L CB -0.004 41.828 42.059 -0.377 0.000 1.175 431 L HN 0.523 nan 8.230 nan 0.000 0.431 432 Y N 3.642 123.615 120.300 -0.546 0.000 2.536 432 Y HA 0.512 5.067 4.550 0.008 0.000 0.347 432 Y C -0.321 175.300 175.900 -0.464 0.000 1.000 432 Y CA -0.878 56.863 58.100 -0.599 0.000 1.051 432 Y CB 1.786 39.674 38.460 -0.953 0.000 1.259 432 Y HN 0.417 nan 8.280 nan 0.000 0.468 433 K N 3.559 123.848 120.400 -0.185 0.000 2.358 433 K HA 0.529 4.854 4.320 0.008 0.000 0.260 433 K C -1.735 174.815 176.600 -0.082 0.000 0.956 433 K CA -0.564 55.527 56.287 -0.327 0.000 0.834 433 K CB 1.448 33.691 32.500 -0.428 0.000 1.102 433 K HN 0.826 nan 8.250 nan 0.000 0.431 434 I N 3.555 124.117 120.570 -0.013 0.000 2.378 434 I HA 0.173 4.348 4.170 0.008 0.000 0.291 434 I C -0.319 175.877 176.117 0.131 0.000 0.992 434 I CA -0.611 60.757 61.300 0.114 0.000 1.154 434 I CB 1.571 39.666 38.000 0.159 0.000 1.315 434 I HN 0.673 nan 8.210 nan 0.000 0.448 435 Q N 5.655 125.557 119.800 0.170 0.000 2.281 435 Q HA 0.070 4.415 4.340 0.008 0.000 0.267 435 Q C 0.252 176.252 176.000 -0.000 0.000 1.053 435 Q CA -0.430 55.414 55.803 0.068 0.000 0.905 435 Q CB 1.082 29.870 28.738 0.084 0.000 1.195 435 Q HN 0.757 nan 8.270 nan 0.000 0.398 436 L N 3.166 124.314 121.223 -0.125 0.000 2.275 436 L HA -0.154 4.191 4.340 0.008 0.000 0.215 436 L C 2.205 179.005 176.870 -0.117 0.000 1.119 436 L CA 1.737 56.550 54.840 -0.045 0.000 0.790 436 L CB -0.691 41.302 42.059 -0.110 0.000 0.919 436 L HN 0.721 nan 8.230 nan 0.000 0.443 437 S N -2.655 112.940 115.700 -0.176 0.000 2.558 437 S HA 0.036 4.511 4.470 0.008 0.000 0.217 437 S C 0.491 174.948 174.600 -0.239 0.000 0.975 437 S CA 0.098 58.179 58.200 -0.199 0.000 0.912 437 S CB 0.058 63.165 63.200 -0.155 0.000 0.776 437 S HN 0.378 nan 8.310 nan 0.000 0.526 438 D N -0.261 120.013 120.400 -0.209 0.000 2.318 438 D HA 0.220 4.865 4.640 0.008 0.000 0.233 438 D C -0.356 175.923 176.300 -0.035 0.000 1.348 438 D CA -0.574 53.314 54.000 -0.186 0.000 0.983 438 D CB 0.114 40.858 40.800 -0.093 0.000 1.416 438 D HN -0.062 nan 8.370 nan 0.000 0.558 439 Y N 1.312 121.596 120.300 -0.027 0.000 2.384 439 Y HA -0.085 4.471 4.550 0.009 0.000 0.289 439 Y C 2.415 178.323 175.900 0.013 0.000 1.152 439 Y CA 0.925 59.019 58.100 -0.011 0.000 1.258 439 Y CB -0.791 37.660 38.460 -0.016 0.000 0.979 439 Y HN 0.339 nan 8.280 nan 0.000 0.549 440 T N -0.071 114.566 114.554 0.138 0.000 2.962 440 T HA -0.061 4.295 4.350 0.008 0.000 0.270 440 T C 0.785 175.535 174.700 0.084 0.000 1.088 440 T CA 0.744 62.899 62.100 0.091 0.000 1.127 440 T CB -0.129 68.766 68.868 0.046 0.000 0.883 440 T HN 0.006 nan 8.240 nan 0.000 0.493 441 K N 2.831 123.282 120.400 0.085 0.000 2.184 441 K HA 0.395 4.720 4.320 0.008 0.000 0.259 441 K C -0.983 175.680 176.600 0.104 0.000 1.119 441 K CA -0.130 56.205 56.287 0.079 0.000 0.991 441 K CB 0.660 33.200 32.500 0.067 0.000 1.522 441 K HN 0.053 nan 8.250 nan 0.000 0.405 442 V N 2.347 122.323 119.914 0.103 0.000 2.409 442 V HA 0.316 4.441 4.120 0.008 0.000 0.291 442 V C -0.021 176.130 176.094 0.094 0.000 1.020 442 V CA -0.745 61.631 62.300 0.126 0.000 0.848 442 V CB 1.853 33.779 31.823 0.171 0.000 0.990 442 V HN 0.526 nan 8.190 nan 0.000 0.430 443 T N 3.341 117.922 114.554 0.044 0.000 2.779 443 T HA 0.240 4.596 4.350 0.008 0.000 0.280 443 T C -0.290 174.329 174.700 -0.134 0.000 0.987 443 T CA -0.270 61.806 62.100 -0.040 0.000 0.966 443 T CB 1.235 70.047 68.868 -0.094 0.000 0.933 443 T HN 0.753 nan 8.240 nan 0.000 0.442 444 C N 5.320 124.474 119.300 -0.244 0.000 2.464 444 C HA 0.373 4.838 4.460 0.008 0.000 0.370 444 C C 1.710 176.387 174.990 -0.521 0.000 1.267 444 C CA -0.549 58.070 59.018 -0.664 0.000 1.781 444 C CB -1.940 25.345 27.740 -0.759 0.000 2.431 444 C HN 0.984 nan 8.230 nan 0.000 0.556 445 L N 4.553 125.439 121.223 -0.563 0.000 2.446 445 L HA 0.062 4.407 4.340 0.008 0.000 0.219 445 L C 2.175 178.739 176.870 -0.511 0.000 1.116 445 L CA 1.037 55.623 54.840 -0.423 0.000 0.844 445 L CB -0.198 41.651 42.059 -0.350 0.000 0.970 445 L HN 0.882 nan 8.230 nan 0.000 0.457 446 S N -3.411 111.876 115.700 -0.689 0.000 2.589 446 S HA -0.017 4.458 4.470 0.008 0.000 0.235 446 S C 1.816 176.018 174.600 -0.664 0.000 1.051 446 S CA -0.108 57.570 58.200 -0.870 0.000 0.978 446 S CB -0.336 61.977 63.200 -1.477 0.000 0.929 446 S HN 0.282 nan 8.310 nan 0.000 0.523 447 C N 1.914 120.817 119.300 -0.662 0.000 2.396 447 C HA -0.011 4.454 4.460 0.008 0.000 0.277 447 C C 2.418 177.104 174.990 -0.507 0.000 1.231 447 C CA 1.685 60.247 59.018 -0.760 0.000 1.775 447 C CB -1.028 26.114 27.740 -0.997 0.000 2.036 447 C HN 0.708 nan 8.230 nan 0.000 0.484 448 E N -0.657 119.344 120.200 -0.331 0.000 2.526 448 E HA 0.220 4.575 4.350 0.008 0.000 0.208 448 E C 1.758 178.297 176.600 -0.102 0.000 0.997 448 E CA -0.139 56.157 56.400 -0.174 0.000 0.961 448 E CB 0.002 29.619 29.700 -0.138 0.000 1.030 448 E HN 0.522 nan 8.360 nan 0.000 0.483 449 L N 0.342 121.501 121.223 -0.106 0.000 2.083 449 L HA -0.031 4.314 4.340 0.008 0.000 0.209 449 L C 0.893 177.767 176.870 0.006 0.000 1.083 449 L CA 0.851 55.668 54.840 -0.038 0.000 0.752 449 L CB 0.069 42.114 42.059 -0.023 0.000 0.899 449 L HN 0.107 nan 8.230 nan 0.000 0.433 450 N N -1.506 117.209 118.700 0.025 0.000 3.029 450 N HA 0.074 4.819 4.740 0.008 0.000 0.198 450 N C -2.180 173.341 175.510 0.017 0.000 1.444 450 N CA -0.659 52.401 53.050 0.017 0.000 0.784 450 N CB 0.786 39.282 38.487 0.014 0.000 1.539 450 N HN -0.187 nan 8.380 nan 0.000 0.582 451 P HA -0.115 nan 4.420 nan 0.000 0.219 451 P C 0.601 177.928 177.300 0.045 0.000 1.146 451 P CA 1.284 64.409 63.100 0.040 0.000 0.808 451 P CB 0.717 32.456 31.700 0.065 0.000 0.779 452 E N -0.024 120.188 120.200 0.020 0.000 2.060 452 E HA -0.102 4.253 4.350 0.008 0.000 0.189 452 E C 2.185 178.776 176.600 -0.015 0.000 0.974 452 E CA 0.787 57.193 56.400 0.009 0.000 0.808 452 E CB -0.269 29.432 29.700 0.001 0.000 0.768 452 E HN 0.277 nan 8.360 nan 0.000 0.453 453 R N -0.507 119.971 120.500 -0.037 0.000 2.290 453 R HA 0.223 4.568 4.340 0.008 0.000 0.197 453 R C -0.279 175.957 176.300 -0.105 0.000 0.913 453 R CA 0.225 56.281 56.100 -0.073 0.000 1.040 453 R CB 0.248 30.493 30.300 -0.091 0.000 0.992 453 R HN -0.030 nan 8.270 nan 0.000 0.500 454 c N 0.987 119.528 118.600 -0.098 0.000 2.383 454 c HA 0.440 5.015 4.570 0.008 0.000 0.330 454 c C -0.267 173.735 174.090 -0.147 0.000 1.168 454 c CA -0.515 55.685 56.329 -0.215 0.000 1.374 454 c CB 1.369 43.728 42.510 -0.252 0.000 2.014 454 c HN 0.629 nan 8.230 nan 0.000 0.439 455 Q N 0.635 120.336 119.800 -0.165 0.000 1.988 455 Q HA 0.198 4.543 4.340 0.008 0.000 0.199 455 Q C -1.125 174.888 176.000 0.022 0.000 0.767 455 Q CA 0.048 55.847 55.803 -0.007 0.000 0.966 455 Q CB 1.258 30.031 28.738 0.060 0.000 1.219 455 Q HN 0.787 nan 8.270 nan 0.000 0.432 456 Y N 0.405 120.546 120.300 -0.264 0.000 2.400 456 Y HA 0.372 4.927 4.550 0.009 0.000 0.335 456 Y C -1.715 174.030 175.900 -0.260 0.000 1.066 456 Y CA -0.906 57.093 58.100 -0.169 0.000 1.285 456 Y CB 0.670 39.054 38.460 -0.126 0.000 1.103 456 Y HN -0.066 nan 8.280 nan 0.000 0.490 457 Y N 2.275 122.517 120.300 -0.096 0.000 2.420 457 Y HA 0.634 5.189 4.550 0.009 0.000 0.334 457 Y C 0.430 176.292 175.900 -0.063 0.000 1.094 457 Y CA -0.492 57.567 58.100 -0.070 0.000 1.126 457 Y CB 2.058 40.440 38.460 -0.130 0.000 1.217 457 Y HN 0.510 nan 8.280 nan 0.000 0.462 458 S N 1.087 116.891 115.700 0.173 0.000 2.677 458 S HA 0.871 5.346 4.470 0.008 0.000 0.304 458 S C -1.381 173.294 174.600 0.126 0.000 1.108 458 S CA -0.778 57.504 58.200 0.137 0.000 0.944 458 S CB 1.886 65.182 63.200 0.161 0.000 1.127 458 S HN 0.601 nan 8.310 nan 0.000 0.511 459 V N 0.191 120.168 119.914 0.106 0.000 3.078 459 V HA 0.872 4.997 4.120 0.008 0.000 0.311 459 V C -1.234 174.927 176.094 0.112 0.000 1.138 459 V CA -0.272 62.053 62.300 0.042 0.000 1.007 459 V CB 2.303 34.041 31.823 -0.142 0.000 1.045 459 V HN 1.216 nan 8.190 nan 0.000 0.432 460 S N 4.667 120.429 115.700 0.103 0.000 2.746 460 S HA 0.617 5.092 4.470 0.008 0.000 0.273 460 S C -1.123 173.640 174.600 0.270 0.000 1.172 460 S CA -0.416 57.944 58.200 0.267 0.000 1.116 460 S CB 0.269 63.679 63.200 0.350 0.000 1.057 460 S HN 0.516 nan 8.310 nan 0.000 0.483 461 F N 3.118 123.137 119.950 0.115 0.000 2.382 461 F HA 0.423 4.955 4.527 0.008 0.000 0.331 461 F C 1.511 176.913 175.800 -0.663 0.000 1.121 461 F CA -0.110 57.802 58.000 -0.146 0.000 1.183 461 F CB 1.167 40.048 39.000 -0.199 0.000 1.207 461 F HN 0.638 nan 8.300 nan 0.000 0.555 462 S N 1.480 116.630 115.700 -0.916 0.000 2.608 462 S HA 0.136 4.611 4.470 0.008 0.000 0.261 462 S C 1.276 175.619 174.600 -0.428 0.000 1.314 462 S CA -0.719 56.651 58.200 -1.384 0.000 0.992 462 S CB 0.888 63.356 63.200 -1.220 0.000 0.935 462 S HN 0.787 nan 8.310 nan 0.000 0.564 463 K N 0.362 120.638 120.400 -0.207 0.000 2.077 463 K HA -0.205 4.120 4.320 0.008 0.000 0.213 463 K C 0.832 177.428 176.600 -0.007 0.000 1.051 463 K CA 2.137 58.416 56.287 -0.014 0.000 0.929 463 K CB -0.198 32.340 32.500 0.063 0.000 0.715 463 K HN 0.698 nan 8.250 nan 0.000 0.451 464 E N -1.484 118.704 120.200 -0.020 0.000 2.499 464 E HA 0.270 4.625 4.350 0.008 0.000 0.199 464 E C -0.480 176.094 176.600 -0.043 0.000 1.016 464 E CA 0.549 56.946 56.400 -0.005 0.000 0.933 464 E CB 1.148 30.865 29.700 0.027 0.000 1.050 464 E HN 0.383 nan 8.360 nan 0.000 0.462 465 A N 0.594 123.364 122.820 -0.083 0.000 2.872 465 A HA -0.306 4.019 4.320 0.008 0.000 0.273 465 A C 1.624 179.187 177.584 -0.036 0.000 1.442 465 A CA 1.244 53.246 52.037 -0.058 0.000 0.801 465 A CB -1.575 17.273 19.000 -0.253 0.000 1.031 465 A HN 0.163 nan 8.150 nan 0.000 0.582 466 K N -1.566 118.747 120.400 -0.145 0.000 2.167 466 K HA 0.080 4.405 4.320 0.008 0.000 0.203 466 K C 0.127 176.379 176.600 -0.580 0.000 1.052 466 K CA 1.467 57.540 56.287 -0.356 0.000 0.956 466 K CB 0.014 32.245 32.500 -0.448 0.000 0.735 466 K HN 0.737 nan 8.250 nan 0.000 0.451 467 Y N -0.877 119.408 120.300 -0.025 0.000 2.605 467 Y HA 0.302 4.857 4.550 0.008 0.000 0.343 467 Y C -0.594 175.295 175.900 -0.019 0.000 1.036 467 Y CA -1.540 56.551 58.100 -0.013 0.000 1.065 467 Y CB 1.669 40.183 38.460 0.090 0.000 1.288 467 Y HN -0.057 nan 8.280 nan 0.000 0.481 468 Y N -1.184 119.166 120.300 0.084 0.000 2.513 468 Y HA 0.475 5.030 4.550 0.008 0.000 0.340 468 Y C -1.245 174.709 175.900 0.090 0.000 1.055 468 Y CA -1.505 56.508 58.100 -0.146 0.000 1.020 468 Y CB 1.387 39.265 38.460 -0.970 0.000 1.301 468 Y HN 0.585 nan 8.280 nan 0.000 0.453 469 Q N 3.655 123.606 119.800 0.251 0.000 2.274 469 Q HA 0.509 4.855 4.340 0.008 0.000 0.256 469 Q C -1.562 174.543 176.000 0.175 0.000 0.927 469 Q CA -0.643 55.251 55.803 0.151 0.000 0.939 469 Q CB 1.156 29.946 28.738 0.087 0.000 1.201 469 Q HN 0.949 nan 8.270 nan 0.000 0.426 470 L N 4.122 125.465 121.223 0.200 0.000 2.307 470 L HA 0.498 4.843 4.340 0.008 0.000 0.282 470 L C 0.028 176.975 176.870 0.128 0.000 1.051 470 L CA -0.419 54.531 54.840 0.184 0.000 0.804 470 L CB 1.343 43.520 42.059 0.198 0.000 1.197 470 L HN 0.558 nan 8.230 nan 0.000 0.431 471 R N 3.259 123.821 120.500 0.103 0.000 2.310 471 R HA 0.320 4.665 4.340 0.008 0.000 0.316 471 R C -1.043 175.161 176.300 -0.160 0.000 1.004 471 R CA -0.472 55.550 56.100 -0.129 0.000 0.900 471 R CB 1.173 31.498 30.300 0.041 0.000 1.152 471 R HN 0.724 nan 8.270 nan 0.000 0.513 472 c N 3.258 121.630 118.600 -0.379 0.000 2.347 472 c HA 0.437 5.012 4.570 0.008 0.000 0.353 472 c C 0.743 174.618 174.090 -0.358 0.000 1.273 472 c CA -0.283 55.731 56.329 -0.526 0.000 1.861 472 c CB 0.849 42.971 42.510 -0.646 0.000 2.420 472 c HN 0.947 nan 8.230 nan 0.000 0.542 473 S N 3.224 118.802 115.700 -0.202 0.000 2.578 473 S HA 0.557 5.032 4.470 0.008 0.000 0.231 473 S C 0.471 175.025 174.600 -0.077 0.000 0.994 473 S CA 0.395 58.532 58.200 -0.105 0.000 0.956 473 S CB 0.190 63.350 63.200 -0.067 0.000 0.870 473 S HN 1.473 nan 8.310 nan 0.000 0.494 474 G N 1.921 110.657 108.800 -0.107 0.000 2.356 474 G HA2 0.195 4.160 3.960 0.008 0.000 0.300 474 G HA3 0.195 4.160 3.960 0.008 0.000 0.300 474 G C -3.008 171.852 174.900 -0.067 0.000 1.331 474 G CA -0.663 44.408 45.100 -0.048 0.000 0.905 474 G HN -0.167 nan 8.290 nan 0.000 0.587 475 P HA 0.142 nan 4.420 nan 0.000 0.229 475 P C 1.306 178.604 177.300 -0.003 0.000 1.160 475 P CA 1.435 64.546 63.100 0.018 0.000 0.777 475 P CB 0.298 32.010 31.700 0.019 0.000 0.814 476 G N 0.554 109.291 108.800 -0.104 0.000 2.535 476 G HA2 0.355 4.320 3.960 0.008 0.000 0.282 476 G HA3 0.355 4.320 3.960 0.008 0.000 0.282 476 G C -0.565 174.103 174.900 -0.386 0.000 1.350 476 G CA -0.492 44.469 45.100 -0.232 0.000 1.039 476 G HN -0.038 nan 8.290 nan 0.000 0.509 477 L N 1.388 122.303 121.223 -0.513 0.000 2.525 477 L HA 0.175 4.520 4.340 0.008 0.000 0.278 477 L C -1.629 175.106 176.870 -0.226 0.000 1.218 477 L CA -1.082 53.469 54.840 -0.481 0.000 0.878 477 L CB 0.067 41.913 42.059 -0.356 0.000 1.127 477 L HN 0.224 nan 8.230 nan 0.000 0.492 478 P HA 0.042 nan 4.420 nan 0.000 0.264 478 P C -0.922 176.302 177.300 -0.128 0.000 1.179 478 P CA 0.042 63.072 63.100 -0.116 0.000 0.763 478 P CB 0.480 32.212 31.700 0.054 0.000 0.806 479 L N 4.975 126.017 121.223 -0.302 0.000 2.410 479 L HA 0.487 4.832 4.340 0.008 0.000 0.270 479 L C -1.709 174.941 176.870 -0.368 0.000 0.983 479 L CA -0.662 54.061 54.840 -0.194 0.000 0.822 479 L CB 1.204 43.184 42.059 -0.132 0.000 1.285 479 L HN 0.246 nan 8.230 nan 0.000 0.409 480 Y N 2.709 122.972 120.300 -0.061 0.000 2.328 480 Y HA 0.704 5.259 4.550 0.008 0.000 0.336 480 Y C 0.266 176.051 175.900 -0.191 0.000 0.960 480 Y CA -0.562 57.478 58.100 -0.100 0.000 1.134 480 Y CB 2.152 40.538 38.460 -0.124 0.000 1.166 480 Y HN 0.651 nan 8.280 nan 0.000 0.464 481 T N 0.931 115.462 114.554 -0.039 0.000 2.906 481 T HA 0.691 5.046 4.350 0.008 0.000 0.295 481 T C -1.478 173.069 174.700 -0.255 0.000 1.061 481 T CA -0.877 61.118 62.100 -0.175 0.000 1.000 481 T CB 1.994 70.788 68.868 -0.123 0.000 1.103 481 T HN 0.378 nan 8.240 nan 0.000 0.486 482 L N 2.170 123.124 121.223 -0.448 0.000 2.329 482 L HA 0.612 4.958 4.340 0.008 0.000 0.279 482 L C -0.736 175.727 176.870 -0.679 0.000 1.014 482 L CA -0.300 54.305 54.840 -0.392 0.000 0.814 482 L CB 1.057 42.962 42.059 -0.256 0.000 1.257 482 L HN 0.808 nan 8.230 nan 0.000 0.424 483 H N 1.786 120.628 119.070 -0.381 0.000 2.895 483 H HA 0.325 4.886 4.556 0.008 0.000 0.373 483 H C -1.099 174.056 175.328 -0.289 0.000 1.174 483 H CA -0.817 54.929 56.048 -0.504 0.000 1.144 483 H CB 2.235 31.351 29.762 -1.078 0.000 1.793 483 H HN 0.486 nan 8.280 nan 0.000 0.551 484 S N 0.822 116.547 115.700 0.041 0.000 2.438 484 S HA 0.081 4.556 4.470 0.008 0.000 0.293 484 S C 1.128 175.758 174.600 0.049 0.000 1.141 484 S CA -0.403 57.904 58.200 0.177 0.000 1.080 484 S CB 0.433 63.764 63.200 0.219 0.000 0.978 484 S HN 0.700 nan 8.310 nan 0.000 0.479 485 S N 4.210 119.940 115.700 0.050 0.000 2.561 485 S HA -0.038 4.437 4.470 0.008 0.000 0.225 485 S C 1.666 176.316 174.600 0.084 0.000 0.977 485 S CA 0.552 58.881 58.200 0.215 0.000 0.926 485 S CB -0.118 63.259 63.200 0.295 0.000 0.769 485 S HN 0.592 nan 8.310 nan 0.000 0.533 486 V N 3.347 123.256 119.914 -0.008 0.000 2.427 486 V HA -0.139 3.986 4.120 0.008 0.000 0.248 486 V C 1.680 177.785 176.094 0.017 0.000 1.051 486 V CA 2.186 64.486 62.300 -0.001 0.000 1.048 486 V CB -0.566 31.236 31.823 -0.035 0.000 0.666 486 V HN 0.881 nan 8.190 nan 0.000 0.456 487 N N -2.750 115.965 118.700 0.024 0.000 2.143 487 N HA 0.065 4.810 4.740 0.008 0.000 0.222 487 N C 0.253 175.779 175.510 0.027 0.000 1.264 487 N CA 0.567 53.629 53.050 0.020 0.000 0.897 487 N CB 0.199 38.699 38.487 0.021 0.000 1.092 487 N HN 0.411 nan 8.380 nan 0.000 0.516 488 D N -0.568 119.870 120.400 0.063 0.000 2.945 488 D HA -0.181 4.464 4.640 0.008 0.000 0.225 488 D C -0.461 175.881 176.300 0.070 0.000 1.158 488 D CA 1.004 55.062 54.000 0.097 0.000 0.805 488 D CB -0.832 40.004 40.800 0.060 0.000 1.098 488 D HN 0.343 nan 8.370 nan 0.000 0.426 489 K N 0.612 121.047 120.400 0.057 0.000 2.154 489 K HA 0.487 4.812 4.320 0.008 0.000 0.264 489 K C 0.629 177.264 176.600 0.058 0.000 1.008 489 K CA -0.012 56.304 56.287 0.048 0.000 0.937 489 K CB 1.101 33.613 32.500 0.021 0.000 1.002 489 K HN 0.083 nan 8.250 nan 0.000 0.469 490 G N 3.388 112.203 108.800 0.025 0.000 2.351 490 G HA2 0.212 4.178 3.960 0.008 0.000 0.287 490 G HA3 0.212 4.178 3.960 0.008 0.000 0.287 490 G C 0.567 175.347 174.900 -0.200 0.000 1.159 490 G CA -0.353 44.643 45.100 -0.172 0.000 0.929 490 G HN 0.626 nan 8.290 nan 0.000 0.435 491 L N 1.796 122.854 121.223 -0.275 0.000 2.007 491 L HA 0.211 4.556 4.340 0.008 0.000 0.205 491 L C 1.696 178.456 176.870 -0.183 0.000 1.073 491 L CA 1.205 55.932 54.840 -0.187 0.000 0.744 491 L CB -0.148 41.799 42.059 -0.186 0.000 0.898 491 L HN 0.740 nan 8.230 nan 0.000 0.435 492 R N -2.429 117.923 120.500 -0.247 0.000 2.709 492 R HA 0.386 4.731 4.340 0.008 0.000 0.270 492 R C -1.524 174.632 176.300 -0.240 0.000 1.038 492 R CA -0.939 55.041 56.100 -0.199 0.000 0.872 492 R CB 1.140 31.349 30.300 -0.151 0.000 1.259 492 R HN -0.283 nan 8.270 nan 0.000 0.473 493 V N 3.294 123.098 119.914 -0.183 0.000 2.508 493 V HA 0.088 4.213 4.120 0.008 0.000 0.281 493 V C 1.392 177.345 176.094 -0.236 0.000 1.041 493 V CA -0.078 62.117 62.300 -0.175 0.000 1.016 493 V CB 0.862 32.621 31.823 -0.106 0.000 0.984 493 V HN 0.646 nan 8.190 nan 0.000 0.478 494 L N 2.651 123.668 121.223 -0.342 0.000 2.145 494 L HA 0.281 4.626 4.340 0.008 0.000 0.201 494 L C 0.791 177.436 176.870 -0.374 0.000 1.075 494 L CA 0.704 55.160 54.840 -0.641 0.000 0.773 494 L CB 0.168 41.439 42.059 -1.313 0.000 0.936 494 L HN 0.661 nan 8.230 nan 0.000 0.451 495 E N -0.083 120.038 120.200 -0.132 0.000 2.287 495 E HA 0.101 4.456 4.350 0.008 0.000 0.274 495 E C -0.967 175.698 176.600 0.109 0.000 0.896 495 E CA -0.380 56.050 56.400 0.051 0.000 0.788 495 E CB 1.178 30.951 29.700 0.120 0.000 1.244 495 E HN 0.176 nan 8.360 nan 0.000 0.408 496 D N 2.916 123.349 120.400 0.055 0.000 2.407 496 D HA 0.101 4.747 4.640 0.008 0.000 0.208 496 D C -0.179 176.140 176.300 0.031 0.000 1.083 496 D CA -0.140 53.878 54.000 0.030 0.000 0.844 496 D CB 0.040 40.837 40.800 -0.004 0.000 0.967 496 D HN 0.430 nan 8.370 nan 0.000 0.506 497 N N 0.065 118.801 118.700 0.060 0.000 2.747 497 N HA -0.200 4.545 4.740 0.008 0.000 0.249 497 N C 0.943 176.469 175.510 0.026 0.000 1.107 497 N CA 0.913 53.996 53.050 0.055 0.000 0.707 497 N CB -1.505 37.012 38.487 0.050 0.000 1.054 497 N HN 0.470 nan 8.380 nan 0.000 0.555 498 S N -1.083 114.632 115.700 0.024 0.000 2.383 498 S HA 0.004 4.479 4.470 0.008 0.000 0.227 498 S C 2.139 176.759 174.600 0.033 0.000 1.026 498 S CA 0.989 59.199 58.200 0.016 0.000 0.981 498 S CB -0.192 63.016 63.200 0.013 0.000 0.818 498 S HN 0.494 nan 8.310 nan 0.000 0.472 499 A N 2.146 124.995 122.820 0.048 0.000 1.892 499 A HA -0.052 4.273 4.320 0.008 0.000 0.218 499 A C 2.267 179.901 177.584 0.083 0.000 1.188 499 A CA 1.863 53.938 52.037 0.063 0.000 0.631 499 A CB -1.026 18.015 19.000 0.067 0.000 0.822 499 A HN 0.547 nan 8.150 nan 0.000 0.447 500 L N 0.036 121.312 121.223 0.089 0.000 2.093 500 L HA -0.116 4.229 4.340 0.008 0.000 0.208 500 L C 1.909 178.822 176.870 0.072 0.000 1.085 500 L CA 2.697 57.607 54.840 0.117 0.000 0.755 500 L CB -0.690 41.443 42.059 0.122 0.000 0.904 500 L HN 0.492 nan 8.230 nan 0.000 0.435 501 D N -0.685 119.730 120.400 0.025 0.000 2.123 501 D HA -0.218 4.427 4.640 0.008 0.000 0.196 501 D C 2.106 178.412 176.300 0.011 0.000 0.992 501 D CA 1.413 55.407 54.000 -0.010 0.000 0.833 501 D CB 0.065 40.847 40.800 -0.030 0.000 0.954 501 D HN 0.272 nan 8.370 nan 0.000 0.455 502 K N -0.551 119.869 120.400 0.033 0.000 2.148 502 K HA -0.081 4.244 4.320 0.008 0.000 0.204 502 K C 2.248 178.889 176.600 0.069 0.000 1.050 502 K CA 0.752 57.065 56.287 0.043 0.000 0.942 502 K CB -0.104 32.423 32.500 0.045 0.000 0.724 502 K HN 0.328 nan 8.250 nan 0.000 0.446 503 M N 0.266 119.930 119.600 0.106 0.000 2.099 503 M HA -0.160 4.325 4.480 0.008 0.000 0.262 503 M C 1.733 178.099 176.300 0.110 0.000 1.067 503 M CA 1.255 56.664 55.300 0.182 0.000 1.124 503 M CB -0.214 32.579 32.600 0.322 0.000 1.353 503 M HN 0.044 nan 8.290 nan 0.000 0.410 504 L N 0.443 121.675 121.223 0.015 0.000 2.456 504 L HA -0.129 4.216 4.340 0.008 0.000 0.224 504 L C 2.416 179.262 176.870 -0.040 0.000 1.148 504 L CA 1.340 56.127 54.840 -0.089 0.000 0.825 504 L CB -1.060 40.950 42.059 -0.082 0.000 0.937 504 L HN 0.316 nan 8.230 nan 0.000 0.450 505 Q N -0.775 119.026 119.800 0.001 0.000 2.170 505 Q HA -0.180 4.166 4.340 0.008 0.000 0.203 505 Q C 1.767 177.781 176.000 0.023 0.000 0.976 505 Q CA 1.051 56.860 55.803 0.009 0.000 0.858 505 Q CB -0.254 28.496 28.738 0.020 0.000 0.907 505 Q HN 0.612 nan 8.270 nan 0.000 0.433 506 N N 0.220 118.944 118.700 0.040 0.000 2.336 506 N HA 0.001 4.746 4.740 0.008 0.000 0.189 506 N C -0.381 175.165 175.510 0.060 0.000 1.113 506 N CA -0.084 53.001 53.050 0.058 0.000 0.858 506 N CB 0.853 39.389 38.487 0.082 0.000 0.970 506 N HN -0.038 nan 8.380 nan 0.000 0.471 507 V N 1.638 121.567 119.914 0.026 0.000 2.483 507 V HA 0.227 4.352 4.120 0.008 0.000 0.295 507 V C -0.440 175.665 176.094 0.019 0.000 1.035 507 V CA -0.632 61.684 62.300 0.028 0.000 0.896 507 V CB 1.682 33.487 31.823 -0.030 0.000 0.986 507 V HN 0.081 nan 8.190 nan 0.000 0.447 508 Q N 6.681 126.511 119.800 0.051 0.000 2.337 508 Q HA 0.207 4.552 4.340 0.008 0.000 0.255 508 Q C -0.441 175.554 176.000 -0.008 0.000 1.205 508 Q CA 0.167 55.983 55.803 0.021 0.000 0.902 508 Q CB 0.316 29.104 28.738 0.084 0.000 1.433 508 Q HN 0.585 nan 8.270 nan 0.000 0.471 509 M N 4.117 123.684 119.600 -0.055 0.000 2.314 509 M HA 0.417 4.903 4.480 0.008 0.000 0.342 509 M C -2.050 174.192 176.300 -0.097 0.000 1.171 509 M CA -2.709 52.550 55.300 -0.068 0.000 1.098 509 M CB 0.507 33.071 32.600 -0.061 0.000 1.559 509 M HN 0.322 nan 8.290 nan 0.000 0.459 510 P HA 0.279 nan 4.420 nan 0.000 0.276 510 P C -0.833 176.397 177.300 -0.117 0.000 1.252 510 P CA -0.352 62.672 63.100 -0.127 0.000 0.802 510 P CB 0.557 32.168 31.700 -0.149 0.000 1.035 511 S N -0.565 115.049 115.700 -0.143 0.000 2.664 511 S HA 0.565 5.040 4.470 0.008 0.000 0.304 511 S C -0.501 174.013 174.600 -0.143 0.000 1.099 511 S CA -0.861 57.265 58.200 -0.124 0.000 1.003 511 S CB 1.754 64.875 63.200 -0.130 0.000 1.092 511 S HN 0.471 nan 8.310 nan 0.000 0.525 512 K N 0.727 121.068 120.400 -0.099 0.000 2.358 512 K HA 0.352 4.677 4.320 0.008 0.000 0.260 512 K C -1.166 175.380 176.600 -0.089 0.000 0.956 512 K CA -0.470 55.763 56.287 -0.092 0.000 0.834 512 K CB 1.169 33.643 32.500 -0.045 0.000 1.102 512 K HN 0.711 nan 8.250 nan 0.000 0.431 513 K N 5.608 125.941 120.400 -0.112 0.000 2.240 513 K HA 0.289 4.614 4.320 0.008 0.000 0.271 513 K C -1.161 175.393 176.600 -0.078 0.000 1.018 513 K CA -0.595 55.637 56.287 -0.091 0.000 0.874 513 K CB 0.852 33.287 32.500 -0.107 0.000 1.098 513 K HN 0.529 nan 8.250 nan 0.000 0.458 514 L N 4.565 125.758 121.223 -0.051 0.000 2.319 514 L HA 0.442 4.787 4.340 0.008 0.000 0.281 514 L C -1.191 175.675 176.870 -0.006 0.000 1.005 514 L CA -0.202 54.632 54.840 -0.010 0.000 0.828 514 L CB 1.346 43.466 42.059 0.101 0.000 1.227 514 L HN 0.864 nan 8.230 nan 0.000 0.415 515 D N 2.971 123.202 120.400 -0.282 0.000 2.768 515 D HA 0.452 5.097 4.640 0.008 0.000 0.327 515 D C -1.513 174.459 176.300 -0.547 0.000 1.302 515 D CA -0.056 53.731 54.000 -0.355 0.000 0.897 515 D CB 2.041 42.605 40.800 -0.393 0.000 1.420 515 D HN 0.217 nan 8.370 nan 0.000 0.494 516 F N 0.043 119.610 119.950 -0.640 0.000 2.593 516 F HA 0.742 5.274 4.527 0.008 0.000 0.320 516 F C -0.506 175.319 175.800 0.042 0.000 1.060 516 F CA -1.078 56.616 58.000 -0.510 0.000 0.940 516 F CB 0.949 39.140 39.000 -1.348 0.000 1.268 516 F HN 0.296 nan 8.300 nan 0.000 0.475 517 I N 0.643 121.409 120.570 0.328 0.000 2.797 517 I HA 0.628 4.803 4.170 0.008 0.000 0.307 517 I C -1.196 175.128 176.117 0.344 0.000 1.033 517 I CA -1.143 60.299 61.300 0.237 0.000 1.071 517 I CB 2.115 40.249 38.000 0.222 0.000 1.255 517 I HN 0.485 nan 8.210 nan 0.000 0.445 518 I N 4.689 125.402 120.570 0.239 0.000 2.336 518 I HA 0.424 4.599 4.170 0.008 0.000 0.292 518 I C -0.739 175.519 176.117 0.234 0.000 0.991 518 I CA -0.463 60.982 61.300 0.242 0.000 1.227 518 I CB 1.387 39.489 38.000 0.170 0.000 1.366 518 I HN 0.431 nan 8.210 nan 0.000 0.466 519 L N 6.904 128.328 121.223 0.335 0.000 2.406 519 L HA 0.440 4.785 4.340 0.008 0.000 0.272 519 L C 0.119 177.143 176.870 0.257 0.000 0.980 519 L CA -0.287 54.726 54.840 0.288 0.000 0.831 519 L CB 0.980 43.239 42.059 0.332 0.000 1.253 519 L HN 0.479 nan 8.230 nan 0.000 0.406 520 N N 2.846 121.628 118.700 0.136 0.000 2.721 520 N HA -0.245 4.500 4.740 0.008 0.000 0.249 520 N C 0.078 175.635 175.510 0.078 0.000 1.072 520 N CA 1.329 54.434 53.050 0.092 0.000 0.710 520 N CB -0.865 37.671 38.487 0.081 0.000 0.993 520 N HN 0.839 nan 8.380 nan 0.000 0.547 521 E N -3.905 116.340 120.200 0.075 0.000 3.181 521 E HA -0.223 4.132 4.350 0.008 0.000 0.293 521 E C -0.759 175.851 176.600 0.018 0.000 0.936 521 E CA 1.272 57.700 56.400 0.046 0.000 0.975 521 E CB -1.640 28.076 29.700 0.027 0.000 1.496 521 E HN 0.469 nan 8.360 nan 0.000 0.429 522 T N 0.532 115.100 114.554 0.023 0.000 2.841 522 T HA 0.394 4.749 4.350 0.008 0.000 0.283 522 T C -0.193 174.379 174.700 -0.214 0.000 1.000 522 T CA -0.847 61.170 62.100 -0.139 0.000 0.977 522 T CB 1.640 70.372 68.868 -0.226 0.000 0.979 522 T HN -0.010 nan 8.240 nan 0.000 0.446 523 K N 2.015 122.231 120.400 -0.308 0.000 2.322 523 K HA 0.457 4.782 4.320 0.008 0.000 0.283 523 K C -1.053 175.277 176.600 -0.450 0.000 1.042 523 K CA -0.028 56.104 56.287 -0.258 0.000 0.958 523 K CB 0.374 32.612 32.500 -0.437 0.000 0.984 523 K HN 0.393 nan 8.250 nan 0.000 0.473 524 F N 2.043 122.073 119.950 0.133 0.000 2.518 524 F HA 0.320 4.852 4.527 0.009 0.000 0.323 524 F C -0.619 175.285 175.800 0.173 0.000 1.129 524 F CA -0.788 57.298 58.000 0.144 0.000 0.920 524 F CB 0.974 40.090 39.000 0.193 0.000 1.160 524 F HN 0.413 nan 8.300 nan 0.000 0.440 525 W N 3.908 125.357 121.300 0.248 0.000 2.316 525 W HA 0.511 5.176 4.660 0.008 0.000 0.321 525 W C -0.587 176.122 176.519 0.317 0.000 1.203 525 W CA -0.546 56.958 57.345 0.265 0.000 1.214 525 W CB 0.740 30.282 29.460 0.137 0.000 1.169 525 W HN 0.452 nan 8.180 nan 0.000 0.561 526 Y N 0.078 120.708 120.300 0.550 0.000 2.581 526 Y HA 0.651 5.206 4.550 0.009 0.000 0.345 526 Y C -0.867 175.265 175.900 0.385 0.000 1.036 526 Y CA -1.820 56.602 58.100 0.537 0.000 1.042 526 Y CB 1.189 40.111 38.460 0.770 0.000 1.289 526 Y HN 0.564 nan 8.280 nan 0.000 0.471 527 Q N 2.783 122.819 119.800 0.392 0.000 2.413 527 Q HA 0.746 5.091 4.340 0.008 0.000 0.276 527 Q C -1.765 174.356 176.000 0.202 0.000 1.099 527 Q CA -1.173 54.741 55.803 0.185 0.000 0.814 527 Q CB 3.224 32.038 28.738 0.127 0.000 1.379 527 Q HN 0.890 nan 8.270 nan 0.000 0.436 528 M N 2.583 122.223 119.600 0.067 0.000 2.263 528 M HA 0.404 4.889 4.480 0.008 0.000 0.295 528 M C -1.252 174.976 176.300 -0.119 0.000 1.028 528 M CA -0.935 54.338 55.300 -0.044 0.000 0.921 528 M CB 2.121 34.651 32.600 -0.116 0.000 1.601 528 M HN 0.607 nan 8.290 nan 0.000 0.440 529 I N 5.389 125.888 120.570 -0.119 0.000 2.308 529 I HA 0.296 4.471 4.170 0.008 0.000 0.293 529 I C -0.383 175.592 176.117 -0.235 0.000 1.078 529 I CA -0.201 61.005 61.300 -0.157 0.000 1.292 529 I CB -0.177 37.750 38.000 -0.122 0.000 1.423 529 I HN 0.628 nan 8.210 nan 0.000 0.493 530 L N 8.527 129.559 121.223 -0.319 0.000 2.289 530 L HA 0.433 4.778 4.340 0.008 0.000 0.285 530 L C -2.104 174.599 176.870 -0.279 0.000 1.049 530 L CA -1.824 52.736 54.840 -0.466 0.000 0.804 530 L CB 0.926 42.502 42.059 -0.806 0.000 1.195 530 L HN 0.269 nan 8.230 nan 0.000 0.428 531 P HA 0.013 nan 4.420 nan 0.000 0.267 531 P C -2.450 174.837 177.300 -0.022 0.000 1.201 531 P CA -0.669 62.396 63.100 -0.057 0.000 0.775 531 P CB -0.261 31.467 31.700 0.046 0.000 0.854 532 P HA -0.030 nan 4.420 nan 0.000 0.269 532 P C -0.183 177.086 177.300 -0.052 0.000 1.215 532 P CA 0.616 63.627 63.100 -0.149 0.000 0.780 532 P CB -0.137 31.453 31.700 -0.183 0.000 0.898 533 H N -1.331 117.778 119.070 0.065 0.000 2.713 533 H HA -0.217 4.344 4.556 0.008 0.000 0.311 533 H C 0.029 175.412 175.328 0.091 0.000 1.175 533 H CA 0.028 56.115 56.048 0.065 0.000 1.143 533 H CB -2.195 27.595 29.762 0.047 0.000 1.434 533 H HN 0.393 nan 8.280 nan 0.000 0.418 534 F N 2.483 122.427 119.950 -0.010 0.000 2.602 534 F HA 0.107 4.639 4.527 0.008 0.000 0.385 534 F C 0.626 176.429 175.800 0.005 0.000 1.063 534 F CA 0.006 57.959 58.000 -0.079 0.000 1.233 534 F CB 0.480 39.315 39.000 -0.275 0.000 1.067 534 F HN 0.152 nan 8.300 nan 0.000 0.564 535 D N 6.226 126.271 120.400 -0.591 0.000 2.440 535 D HA 0.188 4.833 4.640 0.008 0.000 0.239 535 D C 0.603 176.550 176.300 -0.589 0.000 1.084 535 D CA -0.414 53.352 54.000 -0.389 0.000 0.843 535 D CB 1.281 41.997 40.800 -0.141 0.000 1.097 535 D HN 0.607 nan 8.370 nan 0.000 0.531 536 K N 1.129 121.298 120.400 -0.385 0.000 2.211 536 K HA -0.109 4.216 4.320 0.008 0.000 0.204 536 K C 1.595 178.215 176.600 0.033 0.000 1.047 536 K CA 1.287 57.504 56.287 -0.116 0.000 0.935 536 K CB 0.093 32.642 32.500 0.083 0.000 0.728 536 K HN 0.453 nan 8.250 nan 0.000 0.452 537 S N 0.450 116.134 115.700 -0.027 0.000 2.522 537 S HA 0.009 4.484 4.470 0.008 0.000 0.227 537 S C 0.837 175.418 174.600 -0.032 0.000 0.986 537 S CA 0.275 58.470 58.200 -0.008 0.000 0.929 537 S CB 0.123 63.309 63.200 -0.024 0.000 0.769 537 S HN 0.098 nan 8.310 nan 0.000 0.529 538 K N 1.612 121.967 120.400 -0.074 0.000 2.098 538 K HA 0.284 4.609 4.320 0.008 0.000 0.261 538 K C -0.715 175.821 176.600 -0.108 0.000 0.987 538 K CA -0.543 55.634 56.287 -0.183 0.000 0.916 538 K CB 0.610 32.864 32.500 -0.411 0.000 1.039 538 K HN -0.003 nan 8.250 nan 0.000 0.455 539 K N 3.572 123.872 120.400 -0.167 0.000 2.264 539 K HA 0.198 4.523 4.320 0.008 0.000 0.277 539 K C -0.818 175.700 176.600 -0.137 0.000 1.067 539 K CA -0.279 55.983 56.287 -0.042 0.000 0.900 539 K CB 0.575 33.042 32.500 -0.054 0.000 1.124 539 K HN 0.435 nan 8.250 nan 0.000 0.469 540 Y N 3.139 123.458 120.300 0.032 0.000 2.387 540 Y HA 0.257 4.812 4.550 0.008 0.000 0.330 540 Y C -1.673 174.167 175.900 -0.101 0.000 1.133 540 Y CA -2.310 55.784 58.100 -0.009 0.000 1.152 540 Y CB 0.949 39.464 38.460 0.091 0.000 1.215 540 Y HN 0.451 nan 8.280 nan 0.000 0.466 541 P HA 0.112 nan 4.420 nan 0.000 0.272 541 P C -1.103 176.059 177.300 -0.230 0.000 1.223 541 P CA -0.103 62.711 63.100 -0.477 0.000 0.784 541 P CB 1.374 32.399 31.700 -1.126 0.000 0.923 542 L N 2.721 123.849 121.223 -0.158 0.000 2.386 542 L HA 0.578 4.923 4.340 0.008 0.000 0.271 542 L C -1.396 175.667 176.870 0.323 0.000 0.993 542 L CA -1.159 53.741 54.840 0.099 0.000 0.819 542 L CB 1.895 44.024 42.059 0.117 0.000 1.294 542 L HN 0.142 nan 8.230 nan 0.000 0.414 543 L N 5.117 126.540 121.223 0.334 0.000 2.325 543 L HA 0.521 4.866 4.340 0.008 0.000 0.281 543 L C -1.321 175.789 176.870 0.400 0.000 1.004 543 L CA -0.354 54.736 54.840 0.416 0.000 0.823 543 L CB 1.588 43.846 42.059 0.332 0.000 1.236 543 L HN 0.640 nan 8.230 nan 0.000 0.415 544 L N 5.065 126.573 121.223 0.476 0.000 2.283 544 L HA 0.400 4.745 4.340 0.008 0.000 0.287 544 L C -0.600 176.524 176.870 0.423 0.000 1.073 544 L CA 0.176 55.290 54.840 0.456 0.000 0.822 544 L CB 0.599 42.963 42.059 0.509 0.000 1.186 544 L HN 0.637 nan 8.230 nan 0.000 0.436 545 D N 4.456 125.085 120.400 0.380 0.000 2.313 545 D HA 0.349 4.994 4.640 0.008 0.000 0.239 545 D C -1.047 175.351 176.300 0.163 0.000 1.142 545 D CA -0.099 54.058 54.000 0.262 0.000 0.847 545 D CB 1.069 42.087 40.800 0.365 0.000 1.082 545 D HN 0.243 nan 8.370 nan 0.000 0.480 546 V N 5.528 125.451 119.914 0.015 0.000 2.604 546 V HA 0.261 4.387 4.120 0.008 0.000 0.305 546 V C -0.187 176.013 176.094 0.176 0.000 1.043 546 V CA -0.779 61.602 62.300 0.135 0.000 0.888 546 V CB 1.392 33.296 31.823 0.135 0.000 0.995 546 V HN 0.572 nan 8.190 nan 0.000 0.429 547 Y N 3.680 124.058 120.300 0.131 0.000 3.127 547 Y HA 0.544 5.099 4.550 0.008 0.000 0.196 547 Y C 1.658 177.704 175.900 0.244 0.000 0.920 547 Y CA 0.729 58.933 58.100 0.174 0.000 1.664 547 Y CB -0.210 38.335 38.460 0.143 0.000 1.399 547 Y HN 0.815 nan 8.280 nan 0.000 0.435 548 A N 0.656 123.622 122.820 0.242 0.000 2.979 548 A HA -0.153 4.172 4.320 0.008 0.000 0.260 548 A C 1.077 178.571 177.584 -0.149 0.000 1.282 548 A CA 1.095 53.190 52.037 0.097 0.000 0.971 548 A CB -2.493 16.674 19.000 0.279 0.000 1.124 548 A HN 0.997 nan 8.150 nan 0.000 0.826 549 G N -0.853 107.629 108.800 -0.530 0.000 2.634 549 G HA2 0.475 4.440 3.960 0.008 0.000 0.255 549 G HA3 0.475 4.440 3.960 0.008 0.000 0.255 549 G C -2.215 172.258 174.900 -0.711 0.000 1.205 549 G CA -0.700 43.690 45.100 -1.183 0.000 0.884 549 G HN 0.306 nan 8.290 nan 0.000 0.549 550 P HA 0.089 nan 4.420 nan 0.000 0.265 550 P C 0.624 177.680 177.300 -0.407 0.000 1.193 550 P CA -0.007 62.752 63.100 -0.569 0.000 0.765 550 P CB 0.786 31.787 31.700 -1.166 0.000 0.823 551 C N 2.152 121.282 119.300 -0.283 0.000 4.358 551 C HA -0.157 4.308 4.460 0.008 0.000 0.287 551 C C 1.011 175.896 174.990 -0.174 0.000 1.414 551 C CA 1.173 60.002 59.018 -0.315 0.000 1.949 551 C CB -2.774 24.648 27.740 -0.531 0.000 1.274 551 C HN 0.807 nan 8.230 nan 0.000 0.793 552 S N -0.006 115.515 115.700 -0.299 0.000 2.614 552 S HA 0.536 5.012 4.470 0.008 0.000 0.265 552 S C -0.571 173.996 174.600 -0.055 0.000 1.303 552 S CA 0.246 58.200 58.200 -0.411 0.000 1.000 552 S CB 1.600 64.063 63.200 -1.228 0.000 0.935 552 S HN 0.868 nan 8.310 nan 0.000 0.551 553 Q N 0.085 119.940 119.800 0.092 0.000 2.406 553 Q HA 0.342 4.687 4.340 0.008 0.000 0.244 553 Q C -0.786 175.323 176.000 0.183 0.000 0.884 553 Q CA -0.588 55.324 55.803 0.182 0.000 0.813 553 Q CB 0.986 29.909 28.738 0.308 0.000 1.368 553 Q HN 0.698 nan 8.270 nan 0.000 0.439 554 K N 1.211 121.713 120.400 0.171 0.000 2.355 554 K HA 0.330 4.655 4.320 0.008 0.000 0.198 554 K C -0.321 176.389 176.600 0.184 0.000 1.039 554 K CA 0.326 56.733 56.287 0.199 0.000 1.075 554 K CB 1.538 34.179 32.500 0.237 0.000 0.870 554 K HN 0.498 nan 8.250 nan 0.000 0.540 555 A N 2.859 125.788 122.820 0.181 0.000 2.322 555 A HA 0.404 4.729 4.320 0.008 0.000 0.327 555 A C -0.786 176.866 177.584 0.113 0.000 1.394 555 A CA -0.514 51.633 52.037 0.183 0.000 0.921 555 A CB 0.057 19.222 19.000 0.276 0.000 1.153 555 A HN 0.243 nan 8.150 nan 0.000 0.523 556 D N -0.153 120.294 120.400 0.078 0.000 2.752 556 D HA 0.417 5.062 4.640 0.008 0.000 0.313 556 D C 0.357 176.674 176.300 0.028 0.000 1.225 556 D CA 0.238 54.272 54.000 0.057 0.000 0.976 556 D CB 0.339 41.186 40.800 0.079 0.000 1.443 556 D HN 0.148 nan 8.370 nan 0.000 0.515 557 T N -2.170 112.423 114.554 0.064 0.000 3.244 557 T HA 0.339 4.694 4.350 0.008 0.000 0.254 557 T C 0.284 174.953 174.700 -0.051 0.000 1.024 557 T CA -0.410 61.716 62.100 0.045 0.000 0.920 557 T CB -0.801 68.133 68.868 0.111 0.000 1.042 557 T HN 0.263 nan 8.240 nan 0.000 0.572 558 V N 2.443 122.234 119.914 -0.204 0.000 2.583 558 V HA 0.382 4.507 4.120 0.008 0.000 0.287 558 V C -0.010 176.037 176.094 -0.077 0.000 1.051 558 V CA -1.144 60.998 62.300 -0.263 0.000 1.010 558 V CB 0.382 31.925 31.823 -0.468 0.000 0.988 558 V HN 0.571 nan 8.190 nan 0.000 0.478 559 F N 6.405 126.269 119.950 -0.144 0.000 2.445 559 F HA 0.530 5.062 4.527 0.009 0.000 0.359 559 F C 0.504 176.259 175.800 -0.074 0.000 1.101 559 F CA -0.169 57.772 58.000 -0.099 0.000 1.177 559 F CB 0.211 39.160 39.000 -0.085 0.000 1.110 559 F HN 0.432 nan 8.300 nan 0.000 0.522 560 R N 6.334 126.378 120.500 -0.760 0.000 2.740 560 R HA 0.600 4.945 4.340 0.008 0.000 0.282 560 R C -1.483 174.377 176.300 -0.734 0.000 0.969 560 R CA -1.073 54.693 56.100 -0.557 0.000 0.918 560 R CB 2.070 32.220 30.300 -0.250 0.000 1.175 560 R HN 0.660 nan 8.270 nan 0.000 0.464 561 L N 3.994 124.985 121.223 -0.387 0.000 2.324 561 L HA 0.411 4.756 4.340 0.008 0.000 0.274 561 L C -0.645 176.241 176.870 0.026 0.000 1.012 561 L CA -0.654 54.041 54.840 -0.243 0.000 0.859 561 L CB 0.553 42.599 42.059 -0.021 0.000 1.224 561 L HN 0.784 nan 8.230 nan 0.000 0.429 562 N N 0.349 118.997 118.700 -0.087 0.000 3.506 562 N HA 0.166 4.911 4.740 0.008 0.000 0.331 562 N C 0.164 175.374 175.510 -0.500 0.000 1.631 562 N CA -0.864 52.069 53.050 -0.195 0.000 0.786 562 N CB 0.191 38.647 38.487 -0.051 0.000 2.023 562 N HN 0.295 nan 8.380 nan 0.000 0.621 563 W N 0.613 121.346 121.300 -0.945 0.000 2.358 563 W HA 0.216 4.881 4.660 0.008 0.000 0.303 563 W C 2.080 178.529 176.519 -0.117 0.000 1.208 563 W CA 2.823 59.800 57.345 -0.614 0.000 1.274 563 W CB -0.995 28.245 29.460 -0.366 0.000 1.138 563 W HN 0.698 nan 8.180 nan 0.000 0.515 564 A N -0.336 122.433 122.820 -0.086 0.000 1.940 564 A HA -0.230 4.095 4.320 0.008 0.000 0.219 564 A C 1.929 179.392 177.584 -0.203 0.000 1.176 564 A CA 2.608 54.540 52.037 -0.175 0.000 0.631 564 A CB -1.310 17.679 19.000 -0.018 0.000 0.814 564 A HN 0.319 nan 8.150 nan 0.000 0.446 565 T N -1.312 113.131 114.554 -0.184 0.000 2.708 565 T HA -0.213 4.142 4.350 0.008 0.000 0.266 565 T C 1.793 176.462 174.700 -0.051 0.000 1.037 565 T CA 1.690 63.644 62.100 -0.244 0.000 1.146 565 T CB -0.518 68.024 68.868 -0.543 0.000 0.865 565 T HN 0.729 nan 8.240 nan 0.000 0.435 566 Y N 1.828 122.172 120.300 0.073 0.000 2.200 566 Y HA 0.003 4.558 4.550 0.008 0.000 0.290 566 Y C 2.006 177.904 175.900 -0.003 0.000 1.137 566 Y CA 0.929 59.149 58.100 0.201 0.000 1.163 566 Y CB -0.549 38.047 38.460 0.226 0.000 0.988 566 Y HN 0.076 nan 8.280 nan 0.000 0.518 567 L N 0.493 121.242 121.223 -0.789 0.000 2.042 567 L HA -0.228 4.117 4.340 0.008 0.000 0.210 567 L C 2.892 179.505 176.870 -0.428 0.000 1.076 567 L CA 1.335 55.674 54.840 -0.836 0.000 0.749 567 L CB -0.958 40.665 42.059 -0.726 0.000 0.893 567 L HN 0.451 nan 8.230 nan 0.000 0.432 568 A N -1.217 121.435 122.820 -0.281 0.000 1.872 568 A HA -0.194 4.131 4.320 0.008 0.000 0.214 568 A C 2.526 180.049 177.584 -0.102 0.000 1.187 568 A CA 1.869 53.807 52.037 -0.165 0.000 0.614 568 A CB -0.645 18.258 19.000 -0.162 0.000 0.826 568 A HN 0.344 nan 8.150 nan 0.000 0.442 569 S N -1.361 114.295 115.700 -0.073 0.000 2.368 569 S HA -0.103 4.373 4.470 0.008 0.000 0.224 569 S C 1.930 176.559 174.600 0.049 0.000 1.029 569 S CA 2.196 60.408 58.200 0.020 0.000 0.988 569 S CB -0.308 62.962 63.200 0.117 0.000 0.838 569 S HN 0.584 nan 8.310 nan 0.000 0.462 570 T N 0.882 115.439 114.554 0.005 0.000 3.042 570 T HA 0.211 4.566 4.350 0.008 0.000 0.245 570 T C 1.263 175.952 174.700 -0.019 0.000 1.029 570 T CA 0.350 62.480 62.100 0.050 0.000 1.120 570 T CB 0.006 69.003 68.868 0.215 0.000 0.917 570 T HN 0.280 nan 8.240 nan 0.000 0.467 571 E N 1.308 121.411 120.200 -0.162 0.000 2.481 571 E HA 0.176 4.531 4.350 0.008 0.000 0.198 571 E C -0.112 176.479 176.600 -0.015 0.000 1.027 571 E CA -0.079 56.262 56.400 -0.098 0.000 0.900 571 E CB -0.257 29.324 29.700 -0.199 0.000 0.993 571 E HN 0.493 nan 8.360 nan 0.000 0.482 572 N N 0.816 119.518 118.700 0.003 0.000 2.725 572 N HA -0.202 4.543 4.740 0.008 0.000 0.251 572 N C -0.866 174.726 175.510 0.136 0.000 1.031 572 N CA 0.349 53.463 53.050 0.108 0.000 0.720 572 N CB -1.339 37.263 38.487 0.193 0.000 0.930 572 N HN 0.228 nan 8.380 nan 0.000 0.543 573 I N 0.731 121.314 120.570 0.022 0.000 2.359 573 I HA 0.325 4.500 4.170 0.008 0.000 0.294 573 I C 0.666 176.772 176.117 -0.019 0.000 0.987 573 I CA -0.864 60.455 61.300 0.031 0.000 1.225 573 I CB 1.150 39.179 38.000 0.047 0.000 1.366 573 I HN 0.054 nan 8.210 nan 0.000 0.466 574 I N 6.531 127.100 120.570 -0.003 0.000 2.471 574 I HA 0.112 4.287 4.170 0.008 0.000 0.286 574 I C -0.349 175.761 176.117 -0.011 0.000 1.079 574 I CA -0.228 61.032 61.300 -0.067 0.000 1.398 574 I CB 0.723 38.683 38.000 -0.066 0.000 1.403 574 I HN 0.205 nan 8.210 nan 0.000 0.530 575 V N 6.765 126.657 119.914 -0.037 0.000 2.334 575 V HA 0.601 4.726 4.120 0.008 0.000 0.281 575 V C 0.340 176.468 176.094 0.058 0.000 1.016 575 V CA -0.486 61.839 62.300 0.043 0.000 0.832 575 V CB 1.058 32.893 31.823 0.020 0.000 0.999 575 V HN 0.841 nan 8.190 nan 0.000 0.439 576 A N 3.925 126.814 122.820 0.115 0.000 2.320 576 A HA 0.940 5.265 4.320 0.008 0.000 0.334 576 A C -0.065 177.701 177.584 0.303 0.000 1.147 576 A CA -0.473 51.638 52.037 0.125 0.000 0.820 576 A CB 1.561 20.497 19.000 -0.107 0.000 1.218 576 A HN 0.677 nan 8.150 nan 0.000 0.482 577 S N -0.248 115.674 115.700 0.370 0.000 2.549 577 S HA 0.747 5.222 4.470 0.008 0.000 0.280 577 S C -1.492 173.473 174.600 0.609 0.000 1.109 577 S CA -0.289 58.171 58.200 0.433 0.000 0.905 577 S CB 1.315 64.706 63.200 0.319 0.000 1.081 577 S HN 0.730 nan 8.310 nan 0.000 0.477 578 F N 1.858 122.041 119.950 0.389 0.000 2.561 578 F HA 0.465 4.997 4.527 0.008 0.000 0.313 578 F C -1.512 174.472 175.800 0.307 0.000 1.126 578 F CA -0.750 57.489 58.000 0.399 0.000 0.918 578 F CB 1.475 40.674 39.000 0.333 0.000 1.199 578 F HN 0.385 nan 8.300 nan 0.000 0.444 579 D N 4.772 124.941 120.400 -0.385 0.000 2.467 579 D HA 0.360 5.005 4.640 0.008 0.000 0.220 579 D C 0.387 176.399 176.300 -0.481 0.000 1.103 579 D CA 0.139 53.991 54.000 -0.248 0.000 0.886 579 D CB 1.401 42.210 40.800 0.015 0.000 1.025 579 D HN 0.755 nan 8.370 nan 0.000 0.514 580 G N 1.162 109.754 108.800 -0.346 0.000 2.641 580 G HA2 0.288 4.253 3.960 0.008 0.000 0.239 580 G HA3 0.288 4.253 3.960 0.008 0.000 0.239 580 G C 0.154 175.081 174.900 0.044 0.000 1.402 580 G CA -0.734 44.233 45.100 -0.221 0.000 1.046 580 G HN 0.281 nan 8.290 nan 0.000 0.565 581 R N -0.696 119.813 120.500 0.014 0.000 2.585 581 R HA 0.349 4.694 4.340 0.008 0.000 0.275 581 R C 1.290 177.663 176.300 0.121 0.000 1.018 581 R CA 1.500 57.682 56.100 0.137 0.000 1.072 581 R CB 0.400 30.756 30.300 0.092 0.000 0.953 581 R HN 1.059 nan 8.270 nan 0.000 0.419 582 G N 1.169 110.030 108.800 0.101 0.000 2.258 582 G HA2 -0.337 3.629 3.960 0.008 0.000 0.233 582 G HA3 -0.337 3.629 3.960 0.008 0.000 0.233 582 G C 0.166 175.046 174.900 -0.034 0.000 1.006 582 G CA 0.176 45.306 45.100 0.050 0.000 0.620 582 G HN 0.735 nan 8.290 nan 0.000 0.511 583 S N 0.490 116.177 115.700 -0.020 0.000 2.589 583 S HA 0.633 5.108 4.470 0.008 0.000 0.265 583 S C 0.874 175.418 174.600 -0.093 0.000 1.342 583 S CA 0.520 58.683 58.200 -0.061 0.000 1.005 583 S CB 1.705 64.905 63.200 0.001 0.000 0.909 583 S HN 1.689 nan 8.310 nan 0.000 0.555 584 G N -0.839 107.875 108.800 -0.143 0.000 2.552 584 G HA2 0.501 4.466 3.960 0.008 0.000 0.318 584 G HA3 0.501 4.466 3.960 0.008 0.000 0.318 584 G C -0.850 173.935 174.900 -0.192 0.000 1.240 584 G CA -1.091 43.783 45.100 -0.377 0.000 1.002 584 G HN 1.034 nan 8.290 nan 0.000 0.493 585 Y N -2.421 117.864 120.300 -0.024 0.000 4.490 585 Y HA -0.229 4.326 4.550 0.008 0.000 0.233 585 Y C 1.381 177.285 175.900 0.006 0.000 1.101 585 Y CA 1.027 59.126 58.100 -0.003 0.000 2.010 585 Y CB -1.886 36.586 38.460 0.021 0.000 1.622 585 Y HN 0.514 nan 8.280 nan 0.000 0.675 586 Q N 0.034 119.857 119.800 0.038 0.000 2.093 586 Q HA 0.477 4.822 4.340 0.008 0.000 0.217 586 Q C 0.909 176.855 176.000 -0.090 0.000 0.785 586 Q CA 0.212 56.052 55.803 0.062 0.000 1.038 586 Q CB 1.777 30.535 28.738 0.033 0.000 1.190 586 Q HN 0.572 nan 8.270 nan 0.000 0.468 587 G N 0.741 109.379 108.800 -0.271 0.000 2.662 587 G HA2 -0.185 3.780 3.960 0.008 0.000 0.686 587 G HA3 -0.185 3.780 3.960 0.008 0.000 0.686 587 G C -0.508 174.047 174.900 -0.576 0.000 1.271 587 G CA -0.493 44.196 45.100 -0.686 0.000 0.816 587 G HN 0.115 nan 8.290 nan 0.000 0.608 588 D N -0.130 119.878 120.400 -0.654 0.000 2.277 588 D HA -0.012 4.633 4.640 0.008 0.000 0.208 588 D C 2.234 178.235 176.300 -0.497 0.000 0.962 588 D CA 1.244 54.798 54.000 -0.742 0.000 0.865 588 D CB 0.070 40.410 40.800 -0.767 0.000 0.939 588 D HN 0.488 nan 8.370 nan 0.000 0.510 589 K N 0.792 120.965 120.400 -0.378 0.000 2.063 589 K HA -0.069 4.256 4.320 0.008 0.000 0.208 589 K C 1.891 178.404 176.600 -0.145 0.000 1.048 589 K CA 0.984 57.139 56.287 -0.219 0.000 0.928 589 K CB -0.239 32.139 32.500 -0.203 0.000 0.713 589 K HN 0.113 nan 8.250 nan 0.000 0.442 590 I N -0.277 120.195 120.570 -0.164 0.000 2.277 590 I HA -0.144 4.031 4.170 0.008 0.000 0.243 590 I C 2.528 178.618 176.117 -0.046 0.000 1.094 590 I CA 0.963 62.236 61.300 -0.044 0.000 1.393 590 I CB -0.134 37.856 38.000 -0.016 0.000 1.078 590 I HN 0.270 nan 8.210 nan 0.000 0.417 591 M N 0.065 119.559 119.600 -0.177 0.000 2.132 591 M HA -0.202 4.283 4.480 0.008 0.000 0.263 591 M C 2.004 178.299 176.300 -0.008 0.000 1.065 591 M CA 1.798 57.005 55.300 -0.154 0.000 1.122 591 M CB -0.192 32.203 32.600 -0.342 0.000 1.365 591 M HN 0.245 nan 8.290 nan 0.000 0.411 592 H N -0.134 118.822 119.070 -0.190 0.000 2.547 592 H HA 0.229 4.790 4.556 0.008 0.000 0.266 592 H C 1.899 177.243 175.328 0.026 0.000 0.988 592 H CA 0.736 56.688 56.048 -0.160 0.000 1.147 592 H CB -0.594 28.993 29.762 -0.291 0.000 1.365 592 H HN 0.482 nan 8.280 nan 0.000 0.589 593 A N 1.355 124.268 122.820 0.154 0.000 1.986 593 A HA -0.167 4.159 4.320 0.008 0.000 0.220 593 A C 1.899 179.674 177.584 0.319 0.000 1.171 593 A CA 1.779 53.919 52.037 0.172 0.000 0.640 593 A CB -0.566 18.495 19.000 0.103 0.000 0.811 593 A HN 0.378 nan 8.150 nan 0.000 0.451 594 I N -2.329 118.416 120.570 0.291 0.000 3.875 594 I HA 0.168 4.343 4.170 0.008 0.000 0.329 594 I C 0.337 176.562 176.117 0.179 0.000 1.295 594 I CA -1.065 60.381 61.300 0.243 0.000 1.129 594 I CB -1.312 36.800 38.000 0.186 0.000 1.008 594 I HN 0.244 nan 8.210 nan 0.000 0.413 595 N N 3.011 121.861 118.700 0.250 0.000 2.294 595 N HA -0.107 4.638 4.740 0.008 0.000 0.263 595 N C 0.266 175.827 175.510 0.084 0.000 1.281 595 N CA 0.369 53.560 53.050 0.235 0.000 0.846 595 N CB 0.244 38.835 38.487 0.173 0.000 1.061 595 N HN 0.358 nan 8.380 nan 0.000 0.478 596 R N 0.653 121.181 120.500 0.047 0.000 4.016 596 R HA -0.161 4.185 4.340 0.008 0.000 0.385 596 R C -0.272 175.942 176.300 -0.144 0.000 1.158 596 R CA 0.894 56.979 56.100 -0.024 0.000 1.117 596 R CB -0.730 29.565 30.300 -0.008 0.000 1.635 596 R HN 0.661 nan 8.270 nan 0.000 0.560 597 R N 0.343 120.747 120.500 -0.160 0.000 2.688 597 R HA 0.188 4.533 4.340 0.008 0.000 0.396 597 R C -0.743 175.547 176.300 -0.016 0.000 1.081 597 R CA -0.629 55.242 56.100 -0.382 0.000 1.093 597 R CB 0.422 30.498 30.300 -0.374 0.000 1.338 597 R HN -0.101 nan 8.270 nan 0.000 0.613 598 L N 0.473 121.766 121.223 0.117 0.000 2.525 598 L HA 0.159 4.504 4.340 0.008 0.000 0.278 598 L C 1.503 178.635 176.870 0.437 0.000 1.218 598 L CA 1.616 56.561 54.840 0.175 0.000 0.878 598 L CB 0.299 42.215 42.059 -0.238 0.000 1.127 598 L HN 0.755 nan 8.230 nan 0.000 0.492 599 G N 1.054 110.144 108.800 0.482 0.000 2.137 599 G HA2 -0.293 3.672 3.960 0.008 0.000 0.237 599 G HA3 -0.293 3.672 3.960 0.008 0.000 0.237 599 G C 0.538 175.540 174.900 0.171 0.000 1.002 599 G CA 0.887 46.218 45.100 0.385 0.000 0.702 599 G HN 0.916 nan 8.290 nan 0.000 0.515 600 T N -3.635 110.977 114.554 0.096 0.000 3.257 600 T HA 0.466 4.821 4.350 0.008 0.000 0.176 600 T C 1.643 176.325 174.700 -0.030 0.000 0.892 600 T CA 0.921 62.965 62.100 -0.092 0.000 1.147 600 T CB -0.021 68.603 68.868 -0.407 0.000 1.840 600 T HN 0.153 nan 8.240 nan 0.000 0.375 601 F N 3.446 123.446 119.950 0.084 0.000 2.216 601 F HA 0.094 4.626 4.527 0.009 0.000 0.300 601 F C 2.786 178.626 175.800 0.068 0.000 1.085 601 F CA 1.173 59.208 58.000 0.058 0.000 1.326 601 F CB -0.600 38.428 39.000 0.047 0.000 1.027 601 F HN 0.522 nan 8.300 nan 0.000 0.497 602 E N 0.614 120.979 120.200 0.276 0.000 2.208 602 E HA -0.098 4.257 4.350 0.008 0.000 0.193 602 E C 2.086 178.811 176.600 0.207 0.000 0.988 602 E CA 1.260 57.800 56.400 0.234 0.000 0.828 602 E CB -0.996 28.854 29.700 0.250 0.000 0.763 602 E HN 0.294 nan 8.360 nan 0.000 0.478 603 V N 1.810 121.823 119.914 0.166 0.000 2.283 603 V HA -0.210 3.915 4.120 0.008 0.000 0.243 603 V C 2.338 178.479 176.094 0.079 0.000 1.039 603 V CA 2.146 64.499 62.300 0.087 0.000 1.016 603 V CB -0.620 31.213 31.823 0.016 0.000 0.650 603 V HN 0.207 nan 8.190 nan 0.000 0.449 604 E N 0.195 120.452 120.200 0.096 0.000 2.118 604 E HA -0.241 4.114 4.350 0.008 0.000 0.195 604 E C 1.845 178.476 176.600 0.052 0.000 0.992 604 E CA 1.506 57.956 56.400 0.083 0.000 0.804 604 E CB -0.183 29.597 29.700 0.134 0.000 0.741 604 E HN 0.593 nan 8.360 nan 0.000 0.458 605 D N 0.174 120.623 120.400 0.081 0.000 2.224 605 D HA -0.104 4.541 4.640 0.008 0.000 0.205 605 D C 1.906 178.203 176.300 -0.005 0.000 0.965 605 D CA 0.639 54.663 54.000 0.040 0.000 0.852 605 D CB -0.033 40.840 40.800 0.122 0.000 0.947 605 D HN 0.096 nan 8.370 nan 0.000 0.494 606 Q N 0.142 120.000 119.800 0.096 0.000 2.123 606 Q HA 0.009 4.354 4.340 0.008 0.000 0.199 606 Q C 2.516 178.553 176.000 0.062 0.000 0.966 606 Q CA 0.467 56.331 55.803 0.103 0.000 0.845 606 Q CB -0.004 28.830 28.738 0.160 0.000 0.907 606 Q HN 0.415 nan 8.270 nan 0.000 0.439 607 I N 0.757 121.380 120.570 0.088 0.000 2.179 607 I HA -0.263 3.912 4.170 0.008 0.000 0.242 607 I C 2.399 178.466 176.117 -0.083 0.000 1.088 607 I CA 1.300 62.681 61.300 0.136 0.000 1.357 607 I CB -0.229 37.842 38.000 0.119 0.000 1.051 607 I HN 0.150 nan 8.210 nan 0.000 0.409 608 E N 1.535 121.634 120.200 -0.169 0.000 2.106 608 E HA -0.172 4.183 4.350 0.008 0.000 0.192 608 E C 2.093 178.394 176.600 -0.498 0.000 0.984 608 E CA 1.538 57.776 56.400 -0.270 0.000 0.806 608 E CB -0.161 29.407 29.700 -0.220 0.000 0.750 608 E HN 0.399 nan 8.360 nan 0.000 0.458 609 A N 1.018 123.381 122.820 -0.762 0.000 1.883 609 A HA -0.122 4.203 4.320 0.008 0.000 0.217 609 A C 2.498 179.323 177.584 -1.264 0.000 1.186 609 A CA 2.398 53.658 52.037 -1.296 0.000 0.624 609 A CB -1.234 16.743 19.000 -1.705 0.000 0.822 609 A HN 0.407 nan 8.150 nan 0.000 0.444 610 A N -0.614 121.808 122.820 -0.664 0.000 1.933 610 A HA -0.179 4.146 4.320 0.008 0.000 0.218 610 A C 2.240 179.608 177.584 -0.360 0.000 1.175 610 A CA 1.564 53.378 52.037 -0.372 0.000 0.628 610 A CB -0.493 18.383 19.000 -0.206 0.000 0.814 610 A HN 0.550 nan 8.150 nan 0.000 0.444 611 R N -0.737 119.548 120.500 -0.358 0.000 2.091 611 R HA -0.139 4.206 4.340 0.008 0.000 0.238 611 R C 2.385 178.518 176.300 -0.279 0.000 1.136 611 R CA 1.538 57.473 56.100 -0.276 0.000 0.959 611 R CB -0.238 29.927 30.300 -0.226 0.000 0.856 611 R HN 0.623 nan 8.270 nan 0.000 0.437 612 Q N -0.433 119.128 119.800 -0.398 0.000 2.123 612 Q HA -0.106 4.239 4.340 0.008 0.000 0.199 612 Q C 1.991 177.850 176.000 -0.235 0.000 0.966 612 Q CA 1.140 56.736 55.803 -0.344 0.000 0.845 612 Q CB -0.122 28.352 28.738 -0.440 0.000 0.907 612 Q HN 0.292 nan 8.270 nan 0.000 0.439 613 F N 1.375 121.157 119.950 -0.280 0.000 2.216 613 F HA -0.099 4.433 4.527 0.008 0.000 0.300 613 F C 2.509 178.137 175.800 -0.287 0.000 1.085 613 F CA 0.676 58.507 58.000 -0.282 0.000 1.326 613 F CB -0.967 37.914 39.000 -0.198 0.000 1.027 613 F HN -0.051 nan 8.300 nan 0.000 0.497 614 S N -0.176 115.480 115.700 -0.074 0.000 2.382 614 S HA -0.159 4.316 4.470 0.008 0.000 0.228 614 S C 1.740 176.248 174.600 -0.155 0.000 1.027 614 S CA 1.015 59.141 58.200 -0.124 0.000 0.991 614 S CB -0.307 62.812 63.200 -0.134 0.000 0.823 614 S HN 0.394 nan 8.310 nan 0.000 0.469 615 K N 0.569 120.876 120.400 -0.156 0.000 2.525 615 K HA 0.228 4.553 4.320 0.008 0.000 0.192 615 K C 1.320 177.814 176.600 -0.178 0.000 1.029 615 K CA 0.239 56.439 56.287 -0.145 0.000 1.029 615 K CB -0.118 32.309 32.500 -0.122 0.000 0.814 615 K HN 0.393 nan 8.250 nan 0.000 0.503 616 M N -0.730 118.701 119.600 -0.281 0.000 2.558 616 M HA 0.017 4.502 4.480 0.008 0.000 0.255 616 M C 1.218 177.198 176.300 -0.533 0.000 1.113 616 M CA 0.778 55.815 55.300 -0.439 0.000 1.097 616 M CB 0.404 32.603 32.600 -0.668 0.000 1.426 616 M HN 0.467 nan 8.290 nan 0.000 0.488 617 G N 1.021 109.592 108.800 -0.381 0.000 2.268 617 G HA2 -0.313 3.652 3.960 0.008 0.000 0.240 617 G HA3 -0.313 3.652 3.960 0.008 0.000 0.240 617 G C 0.528 175.384 174.900 -0.073 0.000 1.010 617 G CA 0.437 45.430 45.100 -0.179 0.000 0.618 617 G HN 0.622 nan 8.290 nan 0.000 0.516 618 F N 0.439 120.446 119.950 0.096 0.000 2.641 618 F HA 0.767 5.299 4.527 0.008 0.000 0.302 618 F C 0.223 176.140 175.800 0.194 0.000 1.098 618 F CA -0.844 57.250 58.000 0.157 0.000 1.318 618 F CB 0.374 39.528 39.000 0.255 0.000 1.035 618 F HN 0.073 nan 8.300 nan 0.000 0.551 619 V N 1.386 121.346 119.914 0.075 0.000 2.459 619 V HA 0.189 4.314 4.120 0.008 0.000 0.295 619 V C -0.746 175.355 176.094 0.011 0.000 1.029 619 V CA -0.785 61.567 62.300 0.087 0.000 0.874 619 V CB 1.580 33.396 31.823 -0.011 0.000 0.985 619 V HN 0.075 nan 8.190 nan 0.000 0.438 620 D N 3.608 124.008 120.400 -0.001 0.000 2.352 620 D HA 0.065 4.710 4.640 0.008 0.000 0.245 620 D C 1.135 177.395 176.300 -0.067 0.000 1.224 620 D CA -0.242 53.725 54.000 -0.055 0.000 0.879 620 D CB 0.779 41.522 40.800 -0.095 0.000 1.057 620 D HN 0.648 nan 8.370 nan 0.000 0.491 621 N N 3.375 122.036 118.700 -0.065 0.000 2.550 621 N HA -0.136 4.610 4.740 0.008 0.000 0.186 621 N C 0.735 176.209 175.510 -0.061 0.000 1.110 621 N CA 0.807 53.812 53.050 -0.075 0.000 0.912 621 N CB -0.029 38.409 38.487 -0.083 0.000 0.968 621 N HN 0.339 nan 8.380 nan 0.000 0.448 622 K N -0.296 120.076 120.400 -0.046 0.000 2.393 622 K HA 0.187 4.513 4.320 0.008 0.000 0.193 622 K C 0.111 176.718 176.600 0.012 0.000 1.026 622 K CA 0.116 56.392 56.287 -0.018 0.000 1.064 622 K CB 0.477 32.966 32.500 -0.017 0.000 0.833 622 K HN 0.177 nan 8.250 nan 0.000 0.521 623 R N 1.252 121.734 120.500 -0.030 0.000 2.681 623 R HA 0.357 4.702 4.340 0.008 0.000 0.277 623 R C -0.941 175.343 176.300 -0.026 0.000 1.563 623 R CA -0.125 55.952 56.100 -0.039 0.000 1.673 623 R CB 0.583 30.693 30.300 -0.318 0.000 1.258 623 R HN -0.015 nan 8.270 nan 0.000 0.650 624 I N 0.996 121.668 120.570 0.170 0.000 2.406 624 I HA 0.596 4.771 4.170 0.008 0.000 0.290 624 I C -0.033 176.384 176.117 0.501 0.000 0.999 624 I CA -0.770 60.671 61.300 0.236 0.000 1.124 624 I CB 1.949 39.926 38.000 -0.038 0.000 1.289 624 I HN 0.269 nan 8.210 nan 0.000 0.441 625 A N 6.920 130.135 122.820 0.659 0.000 2.485 625 A HA 0.923 5.248 4.320 0.008 0.000 0.292 625 A C -1.266 176.674 177.584 0.592 0.000 1.147 625 A CA -0.638 51.762 52.037 0.604 0.000 0.750 625 A CB 2.173 21.395 19.000 0.371 0.000 1.331 625 A HN 0.728 nan 8.150 nan 0.000 0.419 626 I N 0.749 121.561 120.570 0.404 0.000 2.656 626 I HA 0.706 4.881 4.170 0.008 0.000 0.292 626 I C -1.854 174.499 176.117 0.393 0.000 1.144 626 I CA -0.517 60.949 61.300 0.277 0.000 1.038 626 I CB 1.582 39.439 38.000 -0.240 0.000 1.244 626 I HN 0.931 nan 8.210 nan 0.000 0.420 627 W N 7.129 128.549 121.300 0.200 0.000 3.118 627 W HA 0.866 5.530 4.660 0.008 0.000 0.328 627 W C -1.491 175.165 176.519 0.228 0.000 1.239 627 W CA -1.050 56.422 57.345 0.212 0.000 1.176 627 W CB 1.136 30.770 29.460 0.289 0.000 1.433 627 W HN 0.828 nan 8.180 nan 0.000 0.562 628 G N 0.733 109.419 108.800 -0.190 0.000 2.579 628 G HA2 0.414 4.379 3.960 0.008 0.000 0.292 628 G HA3 0.414 4.379 3.960 0.008 0.000 0.292 628 G C -2.691 172.092 174.900 -0.195 0.000 1.484 628 G CA -0.781 44.053 45.100 -0.443 0.000 0.813 628 G HN 0.612 nan 8.290 nan 0.000 0.515 629 W N 1.160 122.246 121.300 -0.358 0.000 2.627 629 W HA 0.559 5.226 4.660 0.010 0.000 0.339 629 W C 0.932 177.380 176.519 -0.118 0.000 1.058 629 W CA 0.653 57.876 57.345 -0.205 0.000 1.223 629 W CB 1.644 30.968 29.460 -0.226 0.000 1.389 629 W HN 1.097 nan 8.180 nan 0.000 0.541 630 S N 1.683 117.537 115.700 0.257 0.000 4.139 630 S HA -0.433 4.043 4.470 0.008 0.000 0.603 630 S C 0.864 175.558 174.600 0.156 0.000 1.897 630 S CA 1.656 60.013 58.200 0.261 0.000 4.241 630 S CB -1.585 61.824 63.200 0.348 0.000 0.221 630 S HN 0.754 nan 8.310 nan 0.000 0.488 631 Y N 2.998 123.360 120.300 0.103 0.000 2.207 631 Y HA -0.042 4.514 4.550 0.009 0.000 0.287 631 Y C 2.506 178.577 175.900 0.285 0.000 1.156 631 Y CA 2.090 60.345 58.100 0.257 0.000 1.182 631 Y CB -0.928 37.779 38.460 0.412 0.000 0.979 631 Y HN 0.565 nan 8.280 nan 0.000 0.521 632 G N -0.934 108.092 108.800 0.378 0.000 2.422 632 G HA2 -0.243 3.722 3.960 0.008 0.000 0.218 632 G HA3 -0.243 3.722 3.960 0.008 0.000 0.218 632 G C 1.864 176.830 174.900 0.111 0.000 1.146 632 G CA 0.766 46.004 45.100 0.231 0.000 0.769 632 G HN 0.563 nan 8.290 nan 0.000 0.547 633 G N -0.181 108.666 108.800 0.078 0.000 2.402 633 G HA2 -0.226 3.739 3.960 0.008 0.000 0.216 633 G HA3 -0.226 3.739 3.960 0.008 0.000 0.216 633 G C 1.563 176.495 174.900 0.052 0.000 1.162 633 G CA 1.002 46.124 45.100 0.037 0.000 0.777 633 G HN 0.467 nan 8.290 nan 0.000 0.539 634 Y N 1.050 121.282 120.300 -0.114 0.000 2.097 634 Y HA -0.197 4.358 4.550 0.008 0.000 0.282 634 Y C 2.828 178.663 175.900 -0.108 0.000 1.152 634 Y CA 1.989 59.968 58.100 -0.202 0.000 1.136 634 Y CB -0.202 37.990 38.460 -0.445 0.000 0.975 634 Y HN 0.040 nan 8.280 nan 0.000 0.498 635 V N -0.321 119.507 119.914 -0.144 0.000 2.358 635 V HA -0.294 3.831 4.120 0.008 0.000 0.246 635 V C 2.262 178.274 176.094 -0.137 0.000 1.047 635 V CA 2.301 64.512 62.300 -0.147 0.000 1.035 635 V CB -1.040 30.864 31.823 0.136 0.000 0.658 635 V HN 0.507 nan 8.190 nan 0.000 0.452 636 T N 0.038 114.560 114.554 -0.054 0.000 2.684 636 T HA -0.205 4.150 4.350 0.008 0.000 0.267 636 T C 2.141 176.787 174.700 -0.091 0.000 1.036 636 T CA 2.054 64.121 62.100 -0.056 0.000 1.148 636 T CB -0.274 68.637 68.868 0.071 0.000 0.863 636 T HN 0.524 nan 8.240 nan 0.000 0.436 637 S N 1.152 116.830 115.700 -0.037 0.000 2.355 637 S HA -0.020 4.455 4.470 0.008 0.000 0.222 637 S C 2.168 176.678 174.600 -0.149 0.000 1.031 637 S CA 0.941 59.136 58.200 -0.009 0.000 0.993 637 S CB -0.306 62.939 63.200 0.075 0.000 0.859 637 S HN 0.319 nan 8.310 nan 0.000 0.453 638 M N 1.018 120.448 119.600 -0.284 0.000 2.108 638 M HA -0.059 4.426 4.480 0.008 0.000 0.261 638 M C 2.216 178.360 176.300 -0.259 0.000 1.066 638 M CA 1.147 56.260 55.300 -0.312 0.000 1.107 638 M CB -1.427 30.885 32.600 -0.481 0.000 1.356 638 M HN 0.184 nan 8.290 nan 0.000 0.406 639 V N 0.542 120.298 119.914 -0.264 0.000 2.307 639 V HA -0.227 3.898 4.120 0.008 0.000 0.245 639 V C 2.505 178.412 176.094 -0.312 0.000 1.045 639 V CA 1.323 63.469 62.300 -0.258 0.000 1.024 639 V CB -0.585 31.028 31.823 -0.350 0.000 0.651 639 V HN 0.404 nan 8.190 nan 0.000 0.449 640 L N 0.426 121.387 121.223 -0.437 0.000 2.191 640 L HA -0.056 4.289 4.340 0.008 0.000 0.212 640 L C 2.286 178.611 176.870 -0.909 0.000 1.103 640 L CA 1.519 55.995 54.840 -0.606 0.000 0.769 640 L CB -0.773 40.867 42.059 -0.699 0.000 0.908 640 L HN 0.482 nan 8.230 nan 0.000 0.438 641 G N -1.230 107.055 108.800 -0.859 0.000 2.985 641 G HA2 -0.078 3.887 3.960 0.008 0.000 0.209 641 G HA3 -0.078 3.887 3.960 0.008 0.000 0.209 641 G C 1.563 176.310 174.900 -0.255 0.000 1.165 641 G CA 0.605 45.347 45.100 -0.597 0.000 0.776 641 G HN 0.444 nan 8.290 nan 0.000 0.541 642 S N -0.419 115.150 115.700 -0.218 0.000 2.496 642 S HA 0.276 4.751 4.470 0.008 0.000 0.224 642 S C 1.929 176.484 174.600 -0.076 0.000 0.996 642 S CA 0.979 59.113 58.200 -0.110 0.000 0.927 642 S CB -0.220 62.935 63.200 -0.076 0.000 0.774 642 S HN 1.348 nan 8.310 nan 0.000 0.524 643 G N 1.585 110.327 108.800 -0.096 0.000 2.249 643 G HA2 -0.330 3.635 3.960 0.008 0.000 0.273 643 G HA3 -0.330 3.635 3.960 0.008 0.000 0.273 643 G C 0.870 175.757 174.900 -0.022 0.000 1.036 643 G CA 0.877 45.944 45.100 -0.054 0.000 0.824 643 G HN 1.255 nan 8.290 nan 0.000 0.504 644 S N -1.147 114.552 115.700 -0.003 0.000 2.428 644 S HA 0.302 4.777 4.470 0.008 0.000 0.230 644 S C 2.478 177.080 174.600 0.003 0.000 1.014 644 S CA 1.512 59.720 58.200 0.012 0.000 0.957 644 S CB -0.148 63.082 63.200 0.050 0.000 0.784 644 S HN 2.394 nan 8.310 nan 0.000 0.499 645 G N 0.043 108.853 108.800 0.016 0.000 2.179 645 G HA2 -0.280 3.685 3.960 0.008 0.000 0.260 645 G HA3 -0.280 3.685 3.960 0.008 0.000 0.260 645 G C 0.716 175.602 174.900 -0.024 0.000 0.977 645 G CA 0.368 45.469 45.100 0.003 0.000 0.641 645 G HN 0.667 nan 8.290 nan 0.000 0.533 646 V N -0.650 119.234 119.914 -0.050 0.000 2.488 646 V HA 0.279 4.404 4.120 0.008 0.000 0.246 646 V C 1.138 177.006 176.094 -0.377 0.000 1.046 646 V CA 1.452 63.590 62.300 -0.269 0.000 1.053 646 V CB -0.324 31.240 31.823 -0.432 0.000 0.679 646 V HN 0.302 nan 8.190 nan 0.000 0.458 647 F N -0.131 119.833 119.950 0.025 0.000 2.436 647 F HA 0.414 4.946 4.527 0.008 0.000 0.340 647 F C 1.078 176.923 175.800 0.075 0.000 1.113 647 F CA -0.634 57.408 58.000 0.070 0.000 1.022 647 F CB 1.511 40.555 39.000 0.072 0.000 1.128 647 F HN -0.262 nan 8.300 nan 0.000 0.466 648 K N 1.649 122.214 120.400 0.274 0.000 2.116 648 K HA 0.048 4.373 4.320 0.008 0.000 0.203 648 K C -0.021 176.711 176.600 0.220 0.000 1.052 648 K CA 1.064 57.475 56.287 0.206 0.000 0.952 648 K CB 0.214 32.834 32.500 0.200 0.000 0.729 648 K HN 0.801 nan 8.250 nan 0.000 0.446 649 c N -3.054 115.715 118.600 0.282 0.000 3.311 649 c HA 0.874 5.449 4.570 0.008 0.000 0.325 649 c C -0.264 174.048 174.090 0.370 0.000 1.352 649 c CA -0.557 55.958 56.329 0.310 0.000 1.308 649 c CB 1.152 43.775 42.510 0.190 0.000 1.619 649 c HN 0.364 nan 8.230 nan 0.000 0.469 650 G N 0.079 109.165 108.800 0.477 0.000 2.623 650 G HA2 0.754 4.719 3.960 0.008 0.000 0.290 650 G HA3 0.754 4.719 3.960 0.008 0.000 0.290 650 G C -2.051 173.079 174.900 0.383 0.000 1.437 650 G CA -0.747 44.605 45.100 0.420 0.000 0.798 650 G HN 1.071 nan 8.290 nan 0.000 0.488 651 I N 0.491 121.250 120.570 0.315 0.000 2.499 651 I HA 0.605 4.780 4.170 0.008 0.000 0.288 651 I C 0.087 176.323 176.117 0.197 0.000 1.048 651 I CA -0.967 60.402 61.300 0.115 0.000 1.062 651 I CB 2.312 40.361 38.000 0.083 0.000 1.238 651 I HN 0.660 nan 8.210 nan 0.000 0.426 652 A N 6.404 129.245 122.820 0.036 0.000 2.287 652 A HA 0.775 5.100 4.320 0.008 0.000 0.317 652 A C -0.690 176.793 177.584 -0.169 0.000 1.220 652 A CA -0.515 51.538 52.037 0.026 0.000 0.835 652 A CB 1.024 20.113 19.000 0.149 0.000 1.180 652 A HN 0.448 nan 8.150 nan 0.000 0.500 653 V N 2.310 122.058 119.914 -0.276 0.000 2.370 653 V HA 0.546 4.671 4.120 0.008 0.000 0.283 653 V C 0.965 176.599 176.094 -0.767 0.000 1.023 653 V CA 0.354 62.251 62.300 -0.672 0.000 0.857 653 V CB 0.744 31.847 31.823 -1.199 0.000 0.985 653 V HN 2.038 nan 8.190 nan 0.000 0.443 654 A N 5.871 128.227 122.820 -0.772 0.000 2.511 654 A HA -0.105 4.220 4.320 0.008 0.000 0.297 654 A C -1.812 175.579 177.584 -0.320 0.000 1.476 654 A CA 0.286 51.783 52.037 -0.901 0.000 0.757 654 A CB -1.571 17.046 19.000 -0.639 0.000 1.072 654 A HN 0.613 nan 8.150 nan 0.000 0.413 655 P HA 0.374 nan 4.420 nan 0.000 0.278 655 P C 0.322 177.581 177.300 -0.068 0.000 1.238 655 P CA -0.114 62.948 63.100 -0.064 0.000 0.794 655 P CB 1.116 32.810 31.700 -0.010 0.000 0.955 656 V N 2.692 122.479 119.914 -0.212 0.000 2.655 656 V HA -0.015 4.110 4.120 0.008 0.000 0.300 656 V C 1.839 177.770 176.094 -0.272 0.000 1.044 656 V CA 1.253 63.290 62.300 -0.439 0.000 1.095 656 V CB 0.459 31.618 31.823 -1.106 0.000 0.952 656 V HN 0.822 nan 8.190 nan 0.000 0.485 657 S N 4.288 119.857 115.700 -0.217 0.000 2.564 657 S HA 0.229 4.704 4.470 0.008 0.000 0.231 657 S C 0.528 174.987 174.600 -0.235 0.000 1.067 657 S CA -0.291 57.847 58.200 -0.104 0.000 0.908 657 S CB 0.304 63.504 63.200 0.000 0.000 0.809 657 S HN 0.846 nan 8.310 nan 0.000 0.491 658 R N -1.328 118.913 120.500 -0.431 0.000 2.643 658 R HA 0.400 4.745 4.340 0.008 0.000 0.269 658 R C -0.957 175.010 176.300 -0.555 0.000 1.037 658 R CA -0.911 54.854 56.100 -0.559 0.000 0.894 658 R CB -0.011 29.997 30.300 -0.488 0.000 1.238 658 R HN 0.173 nan 8.270 nan 0.000 0.459 659 W N 1.241 122.449 121.300 -0.154 0.000 2.425 659 W HA 0.004 4.670 4.660 0.010 0.000 0.277 659 W C 1.240 177.891 176.519 0.220 0.000 1.231 659 W CA 0.725 58.064 57.345 -0.010 0.000 1.248 659 W CB 0.220 29.566 29.460 -0.191 0.000 1.117 659 W HN 0.741 nan 8.180 nan 0.000 0.568 660 E N -0.877 119.526 120.200 0.338 0.000 2.333 660 E HA -0.198 4.157 4.350 0.008 0.000 0.198 660 E C 1.302 178.062 176.600 0.267 0.000 1.007 660 E CA 1.030 57.569 56.400 0.231 0.000 0.845 660 E CB -0.390 29.335 29.700 0.042 0.000 0.766 660 E HN 0.364 nan 8.360 nan 0.000 0.507 661 Y N -1.550 118.856 120.300 0.176 0.000 2.517 661 Y HA 0.096 4.651 4.550 0.008 0.000 0.281 661 Y C 0.614 176.635 175.900 0.201 0.000 1.125 661 Y CA -0.382 57.795 58.100 0.127 0.000 1.283 661 Y CB -0.405 38.071 38.460 0.026 0.000 1.042 661 Y HN 0.022 nan 8.280 nan 0.000 0.547 662 Y N 1.920 122.385 120.300 0.275 0.000 2.432 662 Y HA 0.300 4.855 4.550 0.008 0.000 0.322 662 Y C 0.358 176.475 175.900 0.363 0.000 1.246 662 Y CA -2.220 56.047 58.100 0.278 0.000 1.268 662 Y CB 0.395 39.035 38.460 0.300 0.000 1.276 662 Y HN 0.198 nan 8.280 nan 0.000 0.499 663 D N -0.430 119.725 120.400 -0.408 0.000 2.362 663 D HA 0.049 4.694 4.640 0.008 0.000 0.238 663 D C 0.916 177.180 176.300 -0.060 0.000 1.212 663 D CA 0.492 54.289 54.000 -0.337 0.000 0.902 663 D CB 0.727 41.137 40.800 -0.650 0.000 1.180 663 D HN 0.466 nan 8.370 nan 0.000 0.445 664 S N 0.475 116.148 115.700 -0.044 0.000 2.371 664 S HA -0.156 4.319 4.470 0.008 0.000 0.224 664 S C 1.888 176.506 174.600 0.030 0.000 1.029 664 S CA 0.858 59.092 58.200 0.057 0.000 0.978 664 S CB -0.788 62.459 63.200 0.079 0.000 0.833 664 S HN 0.413 nan 8.310 nan 0.000 0.466 665 V N 0.760 120.629 119.914 -0.074 0.000 2.295 665 V HA -0.140 3.985 4.120 0.008 0.000 0.246 665 V C 2.280 178.271 176.094 -0.173 0.000 1.049 665 V CA 2.114 64.275 62.300 -0.232 0.000 1.024 665 V CB -0.988 30.558 31.823 -0.463 0.000 0.648 665 V HN 0.608 nan 8.190 nan 0.000 0.447 666 Y N 1.221 121.443 120.300 -0.131 0.000 2.153 666 Y HA -0.211 4.345 4.550 0.008 0.000 0.289 666 Y C 2.728 178.623 175.900 -0.009 0.000 1.127 666 Y CA 2.275 60.378 58.100 0.005 0.000 1.131 666 Y CB -0.446 38.191 38.460 0.296 0.000 0.995 666 Y HN 0.216 nan 8.280 nan 0.000 0.505 667 T N 0.336 115.087 114.554 0.328 0.000 2.674 667 T HA -0.202 4.153 4.350 0.008 0.000 0.265 667 T C 1.546 176.226 174.700 -0.033 0.000 1.039 667 T CA 1.963 64.205 62.100 0.236 0.000 1.150 667 T CB -0.324 68.819 68.868 0.457 0.000 0.864 667 T HN 0.430 nan 8.240 nan 0.000 0.427 668 E N 0.517 120.713 120.200 -0.006 0.000 2.204 668 E HA -0.065 4.290 4.350 0.008 0.000 0.194 668 E C 2.361 178.837 176.600 -0.206 0.000 0.989 668 E CA 0.333 56.720 56.400 -0.020 0.000 0.824 668 E CB -0.109 29.627 29.700 0.060 0.000 0.756 668 E HN 0.320 nan 8.360 nan 0.000 0.477 669 R N 0.104 120.314 120.500 -0.483 0.000 2.103 669 R HA -0.208 4.137 4.340 0.008 0.000 0.242 669 R C 1.238 177.008 176.300 -0.883 0.000 1.142 669 R CA 1.711 57.316 56.100 -0.825 0.000 0.960 669 R CB -0.006 29.407 30.300 -1.477 0.000 0.858 669 R HN 0.266 nan 8.270 nan 0.000 0.439 670 Y N -2.536 117.475 120.300 -0.480 0.000 2.498 670 Y HA 0.206 4.761 4.550 0.008 0.000 0.259 670 Y C 1.796 177.536 175.900 -0.266 0.000 1.086 670 Y CA -0.036 57.788 58.100 -0.460 0.000 1.287 670 Y CB 0.356 38.413 38.460 -0.672 0.000 1.146 670 Y HN -0.054 nan 8.280 nan 0.000 0.523 671 M N -0.498 119.020 119.600 -0.137 0.000 2.421 671 M HA 0.362 4.847 4.480 0.008 0.000 0.258 671 M C 1.172 177.516 176.300 0.073 0.000 1.122 671 M CA 0.863 56.083 55.300 -0.133 0.000 1.078 671 M CB -0.337 32.008 32.600 -0.426 0.000 1.380 671 M HN 0.363 nan 8.290 nan 0.000 0.499 672 G N 1.716 110.563 108.800 0.079 0.000 2.562 672 G HA2 -0.214 3.751 3.960 0.008 0.000 0.250 672 G HA3 -0.214 3.751 3.960 0.008 0.000 0.250 672 G C -0.747 174.291 174.900 0.229 0.000 1.269 672 G CA -0.755 44.422 45.100 0.130 0.000 0.919 672 G HN 0.239 nan 8.290 nan 0.000 0.574 673 L N 2.621 123.941 121.223 0.162 0.000 2.325 673 L HA 0.529 4.874 4.340 0.008 0.000 0.279 673 L C -1.337 175.504 176.870 -0.050 0.000 1.054 673 L CA -2.031 52.850 54.840 0.068 0.000 0.804 673 L CB 1.204 43.275 42.059 0.020 0.000 1.200 673 L HN 0.420 nan 8.230 nan 0.000 0.436 674 P HA 0.085 nan 4.420 nan 0.000 0.228 674 P C -0.536 176.600 177.300 -0.272 0.000 1.748 674 P CA -0.120 62.536 63.100 -0.739 0.000 0.909 674 P CB -0.518 30.495 31.700 -1.145 0.000 1.882 675 T N -3.559 110.925 114.554 -0.116 0.000 2.908 675 T HA 0.476 4.831 4.350 0.008 0.000 0.290 675 T C -2.221 172.472 174.700 -0.011 0.000 1.034 675 T CA -2.530 59.538 62.100 -0.054 0.000 1.010 675 T CB 1.883 70.732 68.868 -0.032 0.000 1.068 675 T HN -0.306 nan 8.240 nan 0.000 0.481 676 P HA -0.145 nan 4.420 nan 0.000 0.217 676 P C 1.384 178.695 177.300 0.019 0.000 1.148 676 P CA 1.039 64.147 63.100 0.012 0.000 0.828 676 P CB 0.104 31.808 31.700 0.007 0.000 0.783 677 E N -1.527 118.681 120.200 0.013 0.000 2.481 677 E HA -0.055 4.301 4.350 0.008 0.000 0.195 677 E C 0.902 177.517 176.600 0.025 0.000 1.047 677 E CA 0.719 57.129 56.400 0.016 0.000 0.867 677 E CB -0.281 29.424 29.700 0.008 0.000 0.858 677 E HN 0.255 nan 8.360 nan 0.000 0.513 678 D N 1.025 121.445 120.400 0.034 0.000 3.066 678 D HA 0.036 4.681 4.640 0.008 0.000 0.225 678 D C 0.269 176.622 176.300 0.088 0.000 1.397 678 D CA -0.020 54.013 54.000 0.054 0.000 1.344 678 D CB -0.033 40.800 40.800 0.055 0.000 0.934 678 D HN 0.003 nan 8.370 nan 0.000 0.202 679 N N 0.004 118.787 118.700 0.137 0.000 2.365 679 N HA 0.105 4.850 4.740 0.008 0.000 0.257 679 N C 0.933 176.631 175.510 0.314 0.000 1.287 679 N CA -0.090 53.097 53.050 0.228 0.000 0.882 679 N CB 0.257 38.918 38.487 0.290 0.000 1.250 679 N HN 0.105 nan 8.380 nan 0.000 0.507 680 L N 0.376 121.694 121.223 0.160 0.000 2.043 680 L HA -0.102 4.243 4.340 0.008 0.000 0.212 680 L C 1.143 178.119 176.870 0.176 0.000 1.075 680 L CA 1.984 56.891 54.840 0.111 0.000 0.752 680 L CB -0.382 41.686 42.059 0.015 0.000 0.891 680 L HN 0.103 nan 8.230 nan 0.000 0.432 681 D N -1.540 118.952 120.400 0.153 0.000 2.123 681 D HA -0.237 4.408 4.640 0.008 0.000 0.196 681 D C 2.090 178.494 176.300 0.174 0.000 0.992 681 D CA 1.681 55.763 54.000 0.136 0.000 0.833 681 D CB -0.144 40.724 40.800 0.112 0.000 0.954 681 D HN 0.577 nan 8.370 nan 0.000 0.455 682 H N -1.121 118.025 119.070 0.127 0.000 2.436 682 H HA -0.025 4.537 4.556 0.009 0.000 0.294 682 H C 1.614 177.017 175.328 0.125 0.000 1.048 682 H CA 1.173 57.276 56.048 0.091 0.000 1.353 682 H CB -0.262 29.520 29.762 0.034 0.000 1.414 682 H HN 0.183 nan 8.280 nan 0.000 0.536 683 Y N 0.297 120.592 120.300 -0.007 0.000 2.165 683 Y HA -0.195 4.359 4.550 0.008 0.000 0.286 683 Y C 2.367 178.235 175.900 -0.053 0.000 1.155 683 Y CA 1.399 59.495 58.100 -0.007 0.000 1.164 683 Y CB 0.131 38.618 38.460 0.046 0.000 0.978 683 Y HN 0.132 nan 8.280 nan 0.000 0.513 684 R N -0.211 120.366 120.500 0.127 0.000 2.148 684 R HA -0.075 4.270 4.340 0.008 0.000 0.223 684 R C 1.416 177.717 176.300 0.001 0.000 1.088 684 R CA 0.762 56.892 56.100 0.050 0.000 0.985 684 R CB -0.738 29.592 30.300 0.051 0.000 0.880 684 R HN 0.500 nan 8.270 nan 0.000 0.451 685 N N 0.690 119.370 118.700 -0.035 0.000 2.422 685 N HA -0.042 4.703 4.740 0.008 0.000 0.181 685 N C 0.201 175.653 175.510 -0.097 0.000 1.080 685 N CA 0.618 53.640 53.050 -0.047 0.000 0.893 685 N CB 0.351 38.848 38.487 0.016 0.000 0.973 685 N HN 0.128 nan 8.380 nan 0.000 0.456 686 S N -0.176 115.422 115.700 -0.169 0.000 2.561 686 S HA 0.070 4.545 4.470 0.008 0.000 0.245 686 S C 0.495 175.142 174.600 0.078 0.000 1.001 686 S CA -0.780 57.379 58.200 -0.069 0.000 1.002 686 S CB -0.038 63.050 63.200 -0.186 0.000 0.805 686 S HN 0.125 nan 8.310 nan 0.000 0.458 687 T N -1.652 112.906 114.554 0.007 0.000 2.922 687 T HA 0.514 4.870 4.350 0.008 0.000 0.285 687 T C 1.310 176.008 174.700 -0.004 0.000 1.005 687 T CA -0.649 61.445 62.100 -0.010 0.000 1.061 687 T CB 1.349 70.181 68.868 -0.059 0.000 1.007 687 T HN -0.046 nan 8.240 nan 0.000 0.502 688 V N 2.034 121.941 119.914 -0.011 0.000 2.358 688 V HA -0.130 3.995 4.120 0.008 0.000 0.246 688 V C 2.654 178.721 176.094 -0.045 0.000 1.047 688 V CA 1.695 63.975 62.300 -0.034 0.000 1.035 688 V CB -0.954 30.841 31.823 -0.047 0.000 0.658 688 V HN 0.831 nan 8.190 nan 0.000 0.452 689 M N 1.258 120.819 119.600 -0.064 0.000 2.144 689 M HA -0.186 4.299 4.480 0.008 0.000 0.260 689 M C 2.309 178.585 176.300 -0.041 0.000 1.067 689 M CA 2.285 57.542 55.300 -0.072 0.000 1.095 689 M CB -1.038 31.531 32.600 -0.050 0.000 1.365 689 M HN 0.541 nan 8.290 nan 0.000 0.406 690 S N -0.550 115.137 115.700 -0.022 0.000 2.507 690 S HA -0.046 4.429 4.470 0.008 0.000 0.235 690 S C 1.728 176.334 174.600 0.009 0.000 0.988 690 S CA 0.605 58.801 58.200 -0.007 0.000 0.944 690 S CB -0.415 62.782 63.200 -0.006 0.000 0.762 690 S HN 0.540 nan 8.310 nan 0.000 0.526 691 R N 0.302 120.819 120.500 0.028 0.000 2.393 691 R HA 0.445 4.790 4.340 0.008 0.000 0.244 691 R C 2.178 178.578 176.300 0.166 0.000 0.920 691 R CA 0.426 56.568 56.100 0.070 0.000 1.076 691 R CB -0.198 30.137 30.300 0.058 0.000 1.119 691 R HN 0.461 nan 8.270 nan 0.000 0.524 692 A N 1.744 124.617 122.820 0.088 0.000 1.903 692 A HA -0.307 4.018 4.320 0.008 0.000 0.219 692 A C 2.035 179.701 177.584 0.137 0.000 1.191 692 A CA 2.051 54.110 52.037 0.038 0.000 0.638 692 A CB -0.325 18.627 19.000 -0.080 0.000 0.823 692 A HN 0.282 nan 8.150 nan 0.000 0.451 693 E N 0.385 120.638 120.200 0.089 0.000 2.160 693 E HA -0.179 4.176 4.350 0.008 0.000 0.195 693 E C 1.567 178.223 176.600 0.093 0.000 0.991 693 E CA 1.579 58.026 56.400 0.078 0.000 0.810 693 E CB -0.226 29.502 29.700 0.046 0.000 0.742 693 E HN 0.608 nan 8.360 nan 0.000 0.466 694 N N -0.532 118.220 118.700 0.087 0.000 2.512 694 N HA -0.083 4.662 4.740 0.008 0.000 0.183 694 N C 0.712 176.201 175.510 -0.036 0.000 1.073 694 N CA 0.440 53.492 53.050 0.004 0.000 0.911 694 N CB -0.182 38.263 38.487 -0.070 0.000 0.964 694 N HN 0.224 nan 8.380 nan 0.000 0.447 695 F N 1.549 121.455 119.950 -0.074 0.000 2.641 695 F HA 0.030 4.562 4.527 0.008 0.000 0.298 695 F C 1.904 177.709 175.800 0.007 0.000 1.146 695 F CA 0.625 58.579 58.000 -0.078 0.000 1.464 695 F CB 0.023 38.928 39.000 -0.157 0.000 1.101 695 F HN -0.044 nan 8.300 nan 0.000 0.585 696 K N -0.098 120.398 120.400 0.160 0.000 2.280 696 K HA -0.173 4.152 4.320 0.008 0.000 0.202 696 K C 1.591 178.247 176.600 0.095 0.000 1.047 696 K CA 1.023 57.385 56.287 0.125 0.000 0.942 696 K CB -0.209 32.346 32.500 0.092 0.000 0.739 696 K HN 0.429 nan 8.250 nan 0.000 0.457 697 Q N 0.435 120.270 119.800 0.058 0.000 2.425 697 Q HA 0.013 4.358 4.340 0.008 0.000 0.204 697 Q C 0.546 176.583 176.000 0.062 0.000 0.933 697 Q CA 0.201 56.030 55.803 0.043 0.000 0.939 697 Q CB 0.563 29.307 28.738 0.010 0.000 1.044 697 Q HN 0.150 nan 8.270 nan 0.000 0.513 698 V N -2.920 117.045 119.914 0.085 0.000 3.141 698 V HA 0.504 4.629 4.120 0.008 0.000 0.312 698 V C -1.277 174.954 176.094 0.229 0.000 1.157 698 V CA -1.272 61.104 62.300 0.126 0.000 1.041 698 V CB 2.317 34.172 31.823 0.054 0.000 1.071 698 V HN -0.064 nan 8.190 nan 0.000 0.441 699 E N 1.338 121.706 120.200 0.281 0.000 2.156 699 E HA 0.528 4.883 4.350 0.008 0.000 0.279 699 E C -1.840 175.135 176.600 0.625 0.000 0.965 699 E CA -0.334 56.306 56.400 0.400 0.000 0.789 699 E CB 1.822 31.686 29.700 0.272 0.000 1.098 699 E HN 0.687 nan 8.360 nan 0.000 0.397 700 Y N 3.178 123.747 120.300 0.449 0.000 2.391 700 Y HA 0.485 5.039 4.550 0.007 0.000 0.341 700 Y C -1.748 174.221 175.900 0.115 0.000 0.965 700 Y CA -1.548 56.750 58.100 0.329 0.000 1.067 700 Y CB 1.096 39.784 38.460 0.380 0.000 1.199 700 Y HN 0.434 nan 8.280 nan 0.000 0.450 701 L N 7.537 128.443 121.223 -0.528 0.000 2.325 701 L HA 0.604 4.949 4.340 0.008 0.000 0.281 701 L C -2.055 174.340 176.870 -0.791 0.000 1.004 701 L CA -0.789 53.594 54.840 -0.761 0.000 0.823 701 L CB 1.262 42.574 42.059 -1.246 0.000 1.236 701 L HN 0.646 nan 8.230 nan 0.000 0.415 702 L N 6.696 127.557 121.223 -0.604 0.000 2.305 702 L HA 0.679 5.024 4.340 0.008 0.000 0.284 702 L C -1.124 175.619 176.870 -0.212 0.000 1.013 702 L CA 0.006 54.552 54.840 -0.490 0.000 0.819 702 L CB 1.131 42.936 42.059 -0.423 0.000 1.227 702 L HN 0.572 nan 8.230 nan 0.000 0.417 703 I N 4.431 124.885 120.570 -0.194 0.000 2.608 703 I HA 0.483 4.658 4.170 0.008 0.000 0.295 703 I C -1.083 175.004 176.117 -0.049 0.000 1.049 703 I CA -0.722 60.522 61.300 -0.094 0.000 1.063 703 I CB 2.023 39.931 38.000 -0.154 0.000 1.248 703 I HN 0.677 nan 8.210 nan 0.000 0.424 704 H N 2.045 121.163 119.070 0.081 0.000 3.085 704 H HA 0.468 5.029 4.556 0.008 0.000 0.356 704 H C -0.394 175.156 175.328 0.370 0.000 1.178 704 H CA -0.604 55.539 56.048 0.158 0.000 1.214 704 H CB 1.996 31.811 29.762 0.088 0.000 1.881 704 H HN 0.749 nan 8.280 nan 0.000 0.538 705 G N 0.744 109.891 108.800 0.579 0.000 2.390 705 G HA2 0.233 4.198 3.960 0.008 0.000 0.270 705 G HA3 0.233 4.198 3.960 0.008 0.000 0.270 705 G C 1.113 176.285 174.900 0.452 0.000 1.211 705 G CA 0.128 45.520 45.100 0.487 0.000 0.842 705 G HN 0.733 nan 8.290 nan 0.000 0.519 706 T N -0.889 113.800 114.554 0.226 0.000 3.055 706 T HA 0.146 4.501 4.350 0.008 0.000 0.265 706 T C 1.615 176.292 174.700 -0.038 0.000 1.111 706 T CA 1.211 63.270 62.100 -0.068 0.000 1.118 706 T CB 0.212 68.958 68.868 -0.203 0.000 0.909 706 T HN 0.689 nan 8.240 nan 0.000 0.501 707 A N 0.989 123.853 122.820 0.074 0.000 2.630 707 A HA 0.337 4.662 4.320 0.008 0.000 0.290 707 A C 0.321 177.854 177.584 -0.085 0.000 1.267 707 A CA -0.511 51.529 52.037 0.005 0.000 0.950 707 A CB -0.237 19.044 19.000 0.469 0.000 1.144 707 A HN 0.371 nan 8.150 nan 0.000 0.527 708 D N 1.578 121.960 120.400 -0.030 0.000 2.346 708 D HA -0.004 4.642 4.640 0.008 0.000 0.260 708 D C 0.457 176.731 176.300 -0.042 0.000 1.252 708 D CA 0.155 54.240 54.000 0.143 0.000 0.895 708 D CB 0.703 41.740 40.800 0.395 0.000 1.097 708 D HN 0.559 nan 8.370 nan 0.000 0.489 709 D N 2.191 122.631 120.400 0.067 0.000 2.323 709 D HA -0.108 4.537 4.640 0.008 0.000 0.209 709 D C 1.019 177.280 176.300 -0.064 0.000 0.973 709 D CA 0.164 54.148 54.000 -0.026 0.000 0.874 709 D CB 0.244 40.989 40.800 -0.092 0.000 0.930 709 D HN 0.432 nan 8.370 nan 0.000 0.521 710 N N 0.113 118.881 118.700 0.112 0.000 2.349 710 N HA -0.026 4.719 4.740 0.008 0.000 0.202 710 N C -0.175 175.287 175.510 -0.079 0.000 1.041 710 N CA 0.212 53.358 53.050 0.159 0.000 0.970 710 N CB 0.672 39.237 38.487 0.131 0.000 1.173 710 N HN -0.180 nan 8.380 nan 0.000 0.493 711 V N 2.337 122.214 119.914 -0.063 0.000 2.334 711 V HA 0.184 4.310 4.120 0.008 0.000 0.267 711 V C -0.779 175.377 176.094 0.105 0.000 1.040 711 V CA -0.287 62.014 62.300 0.001 0.000 0.866 711 V CB -0.024 31.844 31.823 0.075 0.000 1.019 711 V HN 0.344 nan 8.190 nan 0.000 0.468 712 H N 3.326 122.372 119.070 -0.041 0.000 2.897 712 H HA 0.006 4.567 4.556 0.008 0.000 0.347 712 H C 0.805 175.963 175.328 -0.284 0.000 1.068 712 H CA -0.124 55.813 56.048 -0.185 0.000 1.426 712 H CB 0.763 30.341 29.762 -0.307 0.000 1.410 712 H HN 0.637 nan 8.280 nan 0.000 0.597 713 F N 2.087 121.808 119.950 -0.382 0.000 2.147 713 F HA -0.348 4.183 4.527 0.007 0.000 0.301 713 F C 2.624 178.146 175.800 -0.463 0.000 1.084 713 F CA 1.972 59.566 58.000 -0.678 0.000 1.268 713 F CB -0.221 38.562 39.000 -0.362 0.000 1.009 713 F HN 0.681 nan 8.300 nan 0.000 0.486 714 Q N 0.081 119.735 119.800 -0.243 0.000 2.207 714 Q HA -0.352 3.994 4.340 0.008 0.000 0.215 714 Q C 2.083 177.834 176.000 -0.414 0.000 1.006 714 Q CA 2.518 58.127 55.803 -0.323 0.000 0.903 714 Q CB -0.365 28.157 28.738 -0.359 0.000 0.947 714 Q HN 0.630 nan 8.270 nan 0.000 0.414 715 Q N -0.561 119.034 119.800 -0.342 0.000 2.046 715 Q HA -0.094 4.251 4.340 0.008 0.000 0.200 715 Q C 2.251 178.152 176.000 -0.165 0.000 0.975 715 Q CA 1.655 57.373 55.803 -0.141 0.000 0.836 715 Q CB -0.018 28.725 28.738 0.008 0.000 0.896 715 Q HN 0.338 nan 8.270 nan 0.000 0.428 716 S N 0.875 116.385 115.700 -0.317 0.000 2.428 716 S HA -0.016 4.459 4.470 0.008 0.000 0.230 716 S C 2.035 176.400 174.600 -0.392 0.000 1.014 716 S CA 0.702 58.719 58.200 -0.304 0.000 0.957 716 S CB -0.075 62.968 63.200 -0.260 0.000 0.784 716 S HN 0.444 nan 8.310 nan 0.000 0.499 717 A N 1.573 124.061 122.820 -0.553 0.000 1.933 717 A HA -0.136 4.189 4.320 0.008 0.000 0.218 717 A C 2.152 179.635 177.584 -0.169 0.000 1.175 717 A CA 1.128 52.964 52.037 -0.334 0.000 0.628 717 A CB -0.394 18.455 19.000 -0.252 0.000 0.814 717 A HN 0.370 nan 8.150 nan 0.000 0.444 718 Q N -0.432 119.276 119.800 -0.153 0.000 2.172 718 Q HA -0.006 4.339 4.340 0.008 0.000 0.200 718 Q C 2.136 178.087 176.000 -0.083 0.000 0.964 718 Q CA 1.022 56.789 55.803 -0.060 0.000 0.855 718 Q CB -0.346 28.428 28.738 0.060 0.000 0.918 718 Q HN 0.782 nan 8.270 nan 0.000 0.444 719 I N 1.269 121.764 120.570 -0.125 0.000 2.142 719 I HA -0.295 3.880 4.170 0.008 0.000 0.240 719 I C 2.644 178.598 176.117 -0.273 0.000 1.078 719 I CA 1.546 62.727 61.300 -0.200 0.000 1.343 719 I CB -0.556 37.329 38.000 -0.191 0.000 1.046 719 I HN 0.190 nan 8.210 nan 0.000 0.405 720 S N 1.032 116.602 115.700 -0.218 0.000 2.370 720 S HA -0.301 4.174 4.470 0.008 0.000 0.226 720 S C 2.063 176.635 174.600 -0.046 0.000 1.033 720 S CA 1.666 59.776 58.200 -0.151 0.000 1.011 720 S CB -0.496 62.775 63.200 0.119 0.000 0.852 720 S HN 0.373 nan 8.310 nan 0.000 0.457 721 K N 1.641 122.019 120.400 -0.037 0.000 2.063 721 K HA -0.009 4.316 4.320 0.008 0.000 0.208 721 K C 2.304 178.883 176.600 -0.035 0.000 1.048 721 K CA 1.261 57.542 56.287 -0.010 0.000 0.928 721 K CB -0.733 31.759 32.500 -0.013 0.000 0.713 721 K HN 0.475 nan 8.250 nan 0.000 0.442 722 A N 0.919 123.687 122.820 -0.087 0.000 1.933 722 A HA -0.104 4.221 4.320 0.008 0.000 0.218 722 A C 2.077 179.590 177.584 -0.119 0.000 1.175 722 A CA 1.309 53.288 52.037 -0.097 0.000 0.628 722 A CB -0.565 18.361 19.000 -0.123 0.000 0.814 722 A HN 0.322 nan 8.150 nan 0.000 0.444 723 L N -0.687 120.409 121.223 -0.212 0.000 2.093 723 L HA -0.125 4.220 4.340 0.008 0.000 0.208 723 L C 2.470 179.355 176.870 0.025 0.000 1.085 723 L CA 0.828 55.547 54.840 -0.200 0.000 0.755 723 L CB -0.585 41.138 42.059 -0.560 0.000 0.904 723 L HN 0.228 nan 8.230 nan 0.000 0.435 724 V N -0.228 119.740 119.914 0.090 0.000 2.358 724 V HA -0.269 3.856 4.120 0.008 0.000 0.246 724 V C 2.064 178.198 176.094 0.068 0.000 1.047 724 V CA 1.801 64.179 62.300 0.131 0.000 1.035 724 V CB -0.487 31.416 31.823 0.133 0.000 0.658 724 V HN 0.417 nan 8.190 nan 0.000 0.452 725 D N 0.404 120.824 120.400 0.033 0.000 2.218 725 D HA -0.110 4.535 4.640 0.008 0.000 0.204 725 D C 1.784 178.098 176.300 0.024 0.000 0.976 725 D CA 1.746 55.759 54.000 0.022 0.000 0.853 725 D CB -0.067 40.738 40.800 0.008 0.000 0.939 725 D HN 0.561 nan 8.370 nan 0.000 0.481 726 V N -3.577 116.351 119.914 0.024 0.000 3.542 726 V HA 0.487 4.612 4.120 0.008 0.000 0.296 726 V C 1.157 177.281 176.094 0.051 0.000 1.364 726 V CA 0.229 62.549 62.300 0.032 0.000 1.118 726 V CB -0.117 31.721 31.823 0.026 0.000 0.972 726 V HN 0.130 nan 8.190 nan 0.000 0.430 727 G N 0.613 109.452 108.800 0.065 0.000 2.298 727 G HA2 -0.177 3.788 3.960 0.008 0.000 0.287 727 G HA3 -0.177 3.788 3.960 0.008 0.000 0.287 727 G C -0.143 174.822 174.900 0.108 0.000 1.075 727 G CA 0.272 45.420 45.100 0.081 0.000 0.960 727 G HN 0.840 nan 8.290 nan 0.000 0.502 728 V N 0.395 120.394 119.914 0.143 0.000 2.394 728 V HA 0.448 4.573 4.120 0.008 0.000 0.282 728 V C 0.373 176.660 176.094 0.321 0.000 1.031 728 V CA -0.637 61.780 62.300 0.195 0.000 0.881 728 V CB 1.789 33.709 31.823 0.161 0.000 0.982 728 V HN 0.449 nan 8.190 nan 0.000 0.451 729 D N 4.096 124.658 120.400 0.270 0.000 2.304 729 D HA 0.595 5.240 4.640 0.008 0.000 0.250 729 D C -0.531 176.005 176.300 0.393 0.000 1.107 729 D CA 0.211 54.360 54.000 0.247 0.000 0.885 729 D CB 0.716 41.592 40.800 0.127 0.000 1.192 729 D HN 0.376 nan 8.370 nan 0.000 0.436 730 F N -0.182 119.845 119.950 0.129 0.000 2.831 730 F HA 0.498 5.029 4.527 0.006 0.000 0.318 730 F C -1.531 174.322 175.800 0.089 0.000 1.174 730 F CA -1.118 56.980 58.000 0.162 0.000 0.918 730 F CB 0.911 40.041 39.000 0.216 0.000 1.364 730 F HN 0.086 nan 8.300 nan 0.000 0.475 731 Q N 1.317 121.165 119.800 0.079 0.000 2.345 731 Q HA 0.808 5.153 4.340 0.008 0.000 0.268 731 Q C -1.049 174.918 176.000 -0.054 0.000 1.054 731 Q CA -1.055 54.704 55.803 -0.073 0.000 0.835 731 Q CB 2.447 31.188 28.738 0.005 0.000 1.339 731 Q HN 1.028 nan 8.270 nan 0.000 0.447 732 A N 1.686 124.450 122.820 -0.094 0.000 2.479 732 A HA 0.882 5.207 4.320 0.008 0.000 0.296 732 A C -1.287 176.231 177.584 -0.111 0.000 1.121 732 A CA -0.613 51.403 52.037 -0.034 0.000 0.743 732 A CB 2.033 21.071 19.000 0.065 0.000 1.323 732 A HN 0.640 nan 8.150 nan 0.000 0.415 733 M N 1.082 120.606 119.600 -0.127 0.000 2.274 733 M HA 0.529 5.014 4.480 0.008 0.000 0.272 733 M C -1.894 174.299 176.300 -0.179 0.000 1.053 733 M CA -0.541 54.544 55.300 -0.358 0.000 0.978 733 M CB 1.095 33.389 32.600 -0.510 0.000 1.836 733 M HN 0.914 nan 8.290 nan 0.000 0.484 734 W N 4.409 125.579 121.300 -0.217 0.000 2.375 734 W HA 0.752 5.416 4.660 0.006 0.000 0.336 734 W C -1.913 174.373 176.519 -0.389 0.000 1.160 734 W CA -0.729 56.562 57.345 -0.089 0.000 1.266 734 W CB 0.277 29.716 29.460 -0.035 0.000 1.195 734 W HN 0.616 nan 8.180 nan 0.000 0.599 735 Y N 2.360 122.799 120.300 0.231 0.000 2.464 735 Y HA 0.284 4.840 4.550 0.009 0.000 0.326 735 Y C 0.463 176.481 175.900 0.197 0.000 0.969 735 Y CA -1.089 57.072 58.100 0.102 0.000 1.270 735 Y CB 1.257 39.746 38.460 0.048 0.000 1.103 735 Y HN 0.420 nan 8.280 nan 0.000 0.491 736 T N 4.649 119.380 114.554 0.295 0.000 2.831 736 T HA -0.023 4.332 4.350 0.008 0.000 0.291 736 T C 0.194 174.972 174.700 0.130 0.000 0.981 736 T CA 0.739 62.951 62.100 0.187 0.000 1.174 736 T CB -0.146 68.772 68.868 0.084 0.000 0.929 736 T HN 0.716 nan 8.240 nan 0.000 0.532 737 D N 0.688 121.147 120.400 0.098 0.000 2.946 737 D HA -0.123 4.522 4.640 0.008 0.000 0.202 737 D C 0.294 176.723 176.300 0.215 0.000 1.068 737 D CA 1.155 55.162 54.000 0.011 0.000 1.011 737 D CB -0.396 40.221 40.800 -0.304 0.000 1.105 737 D HN 0.560 nan 8.370 nan 0.000 0.425 738 E N 1.081 121.424 120.200 0.239 0.000 2.343 738 E HA 0.307 4.662 4.350 0.008 0.000 0.269 738 E C 0.781 177.559 176.600 0.296 0.000 1.047 738 E CA -0.168 56.390 56.400 0.262 0.000 0.874 738 E CB 1.086 30.932 29.700 0.243 0.000 1.033 738 E HN 0.376 nan 8.360 nan 0.000 0.409 739 D N -0.206 120.379 120.400 0.308 0.000 2.541 739 D HA -0.008 4.637 4.640 0.008 0.000 0.276 739 D C 1.078 177.603 176.300 0.375 0.000 1.190 739 D CA -0.205 54.002 54.000 0.344 0.000 1.095 739 D CB -0.192 40.837 40.800 0.382 0.000 1.173 739 D HN 0.422 nan 8.370 nan 0.000 0.604 740 H N -1.462 117.789 119.070 0.302 0.000 2.456 740 H HA 0.084 4.644 4.556 0.008 0.000 0.296 740 H C 1.928 177.500 175.328 0.407 0.000 1.079 740 H CA 2.214 58.462 56.048 0.333 0.000 1.322 740 H CB -0.424 29.516 29.762 0.297 0.000 1.388 740 H HN 0.491 nan 8.280 nan 0.000 0.538 741 G N -0.084 108.873 108.800 0.261 0.000 2.464 741 G HA2 -0.040 3.925 3.960 0.008 0.000 0.217 741 G HA3 -0.040 3.925 3.960 0.008 0.000 0.217 741 G C 0.639 175.684 174.900 0.241 0.000 1.138 741 G CA 0.362 45.526 45.100 0.106 0.000 0.793 741 G HN 0.528 nan 8.290 nan 0.000 0.539 742 I N 0.051 120.799 120.570 0.296 0.000 6.347 742 I HA -0.309 3.866 4.170 0.008 0.000 0.126 742 I C 1.421 177.648 176.117 0.183 0.000 1.576 742 I CA 0.113 61.541 61.300 0.213 0.000 2.463 742 I CB -1.136 36.953 38.000 0.150 0.000 2.990 742 I HN 0.253 nan 8.210 nan 0.000 0.281 743 A N 0.924 123.831 122.820 0.146 0.000 2.390 743 A HA 0.323 4.648 4.320 0.008 0.000 0.232 743 A C 1.053 178.686 177.584 0.081 0.000 1.233 743 A CA 0.091 52.185 52.037 0.096 0.000 0.907 743 A CB 0.295 19.326 19.000 0.052 0.000 0.967 743 A HN 0.421 nan 8.150 nan 0.000 0.512 744 S N 0.504 116.267 115.700 0.106 0.000 2.552 744 S HA 0.085 4.561 4.470 0.008 0.000 0.289 744 S C 1.559 176.218 174.600 0.099 0.000 1.304 744 S CA 0.496 58.753 58.200 0.096 0.000 1.063 744 S CB 1.169 64.431 63.200 0.103 0.000 0.848 744 S HN 0.591 nan 8.310 nan 0.000 0.499 745 S N 3.021 118.765 115.700 0.072 0.000 2.378 745 S HA -0.231 4.244 4.470 0.008 0.000 0.229 745 S C 2.302 176.968 174.600 0.110 0.000 1.052 745 S CA 2.436 60.680 58.200 0.074 0.000 1.084 745 S CB -0.914 62.311 63.200 0.042 0.000 0.950 745 S HN 0.973 nan 8.310 nan 0.000 0.440 746 T N -0.275 114.334 114.554 0.092 0.000 2.777 746 T HA 0.130 4.485 4.350 0.008 0.000 0.266 746 T C 1.959 176.733 174.700 0.122 0.000 1.040 746 T CA 1.464 63.623 62.100 0.098 0.000 1.141 746 T CB -0.951 67.964 68.868 0.079 0.000 0.868 746 T HN 0.499 nan 8.240 nan 0.000 0.444 747 A N 1.280 124.158 122.820 0.097 0.000 1.930 747 A HA -0.042 4.283 4.320 0.008 0.000 0.217 747 A C 2.184 179.748 177.584 -0.033 0.000 1.175 747 A CA 1.886 53.931 52.037 0.014 0.000 0.627 747 A CB -1.172 17.802 19.000 -0.043 0.000 0.815 747 A HN 0.782 nan 8.150 nan 0.000 0.443 748 H N -0.099 118.972 119.070 0.001 0.000 2.321 748 H HA -0.125 4.436 4.556 0.009 0.000 0.300 748 H C 2.064 177.477 175.328 0.142 0.000 1.087 748 H CA 2.313 58.413 56.048 0.087 0.000 1.319 748 H CB -0.189 29.621 29.762 0.079 0.000 1.379 748 H HN 0.564 nan 8.280 nan 0.000 0.501 749 Q N -1.012 118.796 119.800 0.015 0.000 2.119 749 Q HA -0.167 4.178 4.340 0.008 0.000 0.201 749 Q C 2.163 178.159 176.000 -0.006 0.000 0.972 749 Q CA 1.233 57.011 55.803 -0.041 0.000 0.847 749 Q CB -0.133 28.620 28.738 0.026 0.000 0.903 749 Q HN 0.635 nan 8.270 nan 0.000 0.433 750 H N 0.770 119.828 119.070 -0.019 0.000 2.326 750 H HA -0.065 4.495 4.556 0.008 0.000 0.301 750 H C 2.067 177.410 175.328 0.025 0.000 1.081 750 H CA 1.314 57.388 56.048 0.042 0.000 1.334 750 H CB -0.021 29.831 29.762 0.149 0.000 1.385 750 H HN 0.264 nan 8.280 nan 0.000 0.504 751 I N 0.205 120.764 120.570 -0.019 0.000 2.179 751 I HA -0.344 3.831 4.170 0.008 0.000 0.242 751 I C 1.898 177.800 176.117 -0.358 0.000 1.088 751 I CA 1.360 62.547 61.300 -0.188 0.000 1.357 751 I CB -0.301 37.390 38.000 -0.514 0.000 1.051 751 I HN 0.188 nan 8.210 nan 0.000 0.409 752 Y N 0.918 121.011 120.300 -0.345 0.000 2.224 752 Y HA -0.253 4.303 4.550 0.009 0.000 0.289 752 Y C 2.715 178.425 175.900 -0.317 0.000 1.146 752 Y CA 2.027 59.828 58.100 -0.499 0.000 1.182 752 Y CB -0.744 37.426 38.460 -0.484 0.000 0.983 752 Y HN 0.187 nan 8.280 nan 0.000 0.524 753 T N -1.579 112.909 114.554 -0.109 0.000 2.708 753 T HA -0.273 4.082 4.350 0.008 0.000 0.266 753 T C 1.529 176.107 174.700 -0.203 0.000 1.037 753 T CA 1.948 63.936 62.100 -0.187 0.000 1.146 753 T CB -0.586 68.168 68.868 -0.191 0.000 0.865 753 T HN 0.426 nan 8.240 nan 0.000 0.435 754 H N 1.044 119.986 119.070 -0.214 0.000 2.319 754 H HA 0.045 4.606 4.556 0.008 0.000 0.299 754 H C 2.212 177.525 175.328 -0.026 0.000 1.092 754 H CA 1.674 57.668 56.048 -0.090 0.000 1.302 754 H CB -0.311 29.394 29.762 -0.094 0.000 1.373 754 H HN 0.251 nan 8.280 nan 0.000 0.497 755 M N -0.792 118.755 119.600 -0.088 0.000 2.159 755 M HA -0.173 4.312 4.480 0.008 0.000 0.263 755 M C 2.426 178.833 176.300 0.179 0.000 1.063 755 M CA 1.505 56.752 55.300 -0.088 0.000 1.110 755 M CB -0.099 32.205 32.600 -0.494 0.000 1.374 755 M HN 0.215 nan 8.290 nan 0.000 0.411 756 S N -0.539 115.282 115.700 0.201 0.000 2.356 756 S HA -0.163 4.312 4.470 0.008 0.000 0.223 756 S C 1.582 176.278 174.600 0.160 0.000 1.032 756 S CA 1.274 59.672 58.200 0.330 0.000 1.005 756 S CB -0.587 62.797 63.200 0.308 0.000 0.867 756 S HN 0.560 nan 8.310 nan 0.000 0.449 757 H N -0.614 118.514 119.070 0.097 0.000 2.352 757 H HA -0.084 4.477 4.556 0.009 0.000 0.299 757 H C 1.950 177.279 175.328 0.002 0.000 1.097 757 H CA 1.669 57.729 56.048 0.020 0.000 1.311 757 H CB -0.205 29.522 29.762 -0.057 0.000 1.377 757 H HN 0.372 nan 8.280 nan 0.000 0.504 758 F N 1.134 121.070 119.950 -0.024 0.000 2.075 758 F HA -0.235 4.297 4.527 0.007 0.000 0.297 758 F C 2.104 177.861 175.800 -0.073 0.000 1.113 758 F CA 1.128 59.084 58.000 -0.073 0.000 1.218 758 F CB -0.226 38.708 39.000 -0.110 0.000 0.984 758 F HN 0.039 nan 8.300 nan 0.000 0.472 759 I N 0.710 121.300 120.570 0.033 0.000 2.163 759 I HA -0.295 3.880 4.170 0.008 0.000 0.243 759 I C 2.262 178.196 176.117 -0.305 0.000 1.085 759 I CA 1.607 62.761 61.300 -0.243 0.000 1.347 759 I CB -1.340 36.593 38.000 -0.111 0.000 1.044 759 I HN 0.239 nan 8.210 nan 0.000 0.408 760 K N 0.146 120.509 120.400 -0.061 0.000 2.057 760 K HA -0.223 4.102 4.320 0.008 0.000 0.207 760 K C 2.126 178.718 176.600 -0.014 0.000 1.049 760 K CA 1.230 57.532 56.287 0.024 0.000 0.931 760 K CB -0.182 32.384 32.500 0.110 0.000 0.714 760 K HN 0.349 nan 8.250 nan 0.000 0.440 761 Q N 0.462 120.212 119.800 -0.083 0.000 2.050 761 Q HA -0.211 4.134 4.340 0.008 0.000 0.202 761 Q C 2.352 178.253 176.000 -0.165 0.000 0.980 761 Q CA 1.599 57.334 55.803 -0.113 0.000 0.840 761 Q CB -0.193 28.460 28.738 -0.141 0.000 0.898 761 Q HN 0.446 nan 8.270 nan 0.000 0.424 762 c N 0.052 118.444 118.600 -0.346 0.000 2.413 762 c HA -0.146 4.429 4.570 0.008 0.000 0.276 762 c C 2.039 176.136 174.090 0.011 0.000 1.248 762 c CA 0.603 56.744 56.329 -0.314 0.000 1.742 762 c CB -1.188 40.965 42.510 -0.596 0.000 2.017 762 c HN 0.581 nan 8.230 nan 0.000 0.481 763 F N 1.636 121.548 119.950 -0.064 0.000 2.773 763 F HA 0.230 4.762 4.527 0.009 0.000 0.304 763 F C 1.674 177.461 175.800 -0.022 0.000 1.129 763 F CA 0.549 58.534 58.000 -0.025 0.000 1.378 763 F CB -1.318 37.677 39.000 -0.008 0.000 1.095 763 F HN 0.224 nan 8.300 nan 0.000 0.565 764 S N 0.915 116.696 115.700 0.136 0.000 3.682 764 S HA -0.199 4.276 4.470 0.008 0.000 0.354 764 S C -0.028 174.615 174.600 0.072 0.000 1.034 764 S CA 0.099 58.342 58.200 0.071 0.000 1.084 764 S CB -1.924 61.307 63.200 0.051 0.000 0.903 764 S HN 0.239 nan 8.310 nan 0.000 0.470 765 L N 2.055 123.332 121.223 0.090 0.000 2.265 765 L HA 0.441 4.786 4.340 0.008 0.000 0.289 765 L C -1.068 175.844 176.870 0.071 0.000 1.033 765 L CA -1.872 53.018 54.840 0.085 0.000 0.814 765 L CB 0.663 42.791 42.059 0.115 0.000 1.203 765 L HN 0.097 nan 8.230 nan 0.000 0.423 766 P HA 0.000 nan 4.420 nan 0.000 0.216 766 P CA 0.000 63.132 63.100 0.053 0.000 0.800 766 P CB 0.000 31.724 31.700 0.039 0.000 0.726