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 2xg6_1_D DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVEGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQHGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP FLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.697 177.584 0.188 0.000 1.274 1 A CA 0.000 52.158 52.037 0.202 0.000 0.836 1 A CB 0.000 19.177 19.000 0.294 0.000 0.831 2 E N 2.728 123.001 120.200 0.122 0.000 2.341 2 E HA 0.190 4.540 4.350 -0.000 0.000 0.256 2 E C 0.633 177.306 176.600 0.123 0.000 1.125 2 E CA 0.353 56.822 56.400 0.116 0.000 0.939 2 E CB 0.075 29.818 29.700 0.071 0.000 0.991 2 E HN 0.695 nan 8.360 nan 0.000 0.458 3 I N 2.380 123.045 120.570 0.158 0.000 4.018 3 I HA 0.285 4.455 4.170 -0.000 0.000 0.337 3 I C -0.556 175.679 176.117 0.198 0.000 1.327 3 I CA -0.461 60.930 61.300 0.152 0.000 1.100 3 I CB 0.275 38.369 38.000 0.157 0.000 1.025 3 I HN 0.296 nan 8.210 nan 0.000 0.396 4 Y N 1.758 122.081 120.300 0.037 0.000 2.399 4 Y HA 0.567 5.117 4.550 -0.000 0.000 0.327 4 Y C -1.658 174.253 175.900 0.019 0.000 1.111 4 Y CA -0.986 57.127 58.100 0.020 0.000 1.047 4 Y CB 1.269 39.734 38.460 0.008 0.000 1.259 4 Y HN 0.108 nan 8.280 nan 0.000 0.434 5 N N 5.797 124.271 118.700 -0.376 0.000 2.599 5 N HA 0.321 5.061 4.740 -0.000 0.000 0.283 5 N C -2.168 173.133 175.510 -0.347 0.000 1.160 5 N CA -0.435 52.483 53.050 -0.219 0.000 0.869 5 N CB 1.474 39.912 38.487 -0.081 0.000 1.448 5 N HN 0.788 nan 8.380 nan 0.000 0.535 6 K N 2.332 122.554 120.400 -0.298 0.000 2.580 6 K HA 0.179 4.499 4.320 -0.000 0.000 0.258 6 K C -1.298 175.271 176.600 -0.053 0.000 0.936 6 K CA -0.361 55.779 56.287 -0.245 0.000 0.852 6 K CB 0.748 32.965 32.500 -0.473 0.000 1.329 6 K HN 0.373 nan 8.250 nan 0.000 0.430 7 D N 3.149 123.533 120.400 -0.028 0.000 2.692 7 D HA -0.228 4.412 4.640 -0.000 0.000 0.233 7 D C 0.761 177.084 176.300 0.039 0.000 1.172 7 D CA 2.126 56.134 54.000 0.014 0.000 0.636 7 D CB -0.971 39.848 40.800 0.032 0.000 1.028 7 D HN 1.078 nan 8.370 nan 0.000 0.419 8 G N -0.048 108.770 108.800 0.030 0.000 2.377 8 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.250 8 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.250 8 G C 0.348 175.293 174.900 0.074 0.000 1.039 8 G CA 0.534 45.660 45.100 0.044 0.000 0.625 8 G HN 0.625 nan 8.290 nan 0.000 0.526 9 N N 1.348 120.115 118.700 0.112 0.000 2.514 9 N HA 0.511 5.251 4.740 -0.000 0.000 0.277 9 N C -0.029 175.607 175.510 0.210 0.000 1.126 9 N CA 0.279 53.422 53.050 0.154 0.000 0.978 9 N CB 0.370 38.959 38.487 0.170 0.000 1.106 9 N HN 0.727 nan 8.380 nan 0.000 0.461 10 K N 1.976 122.484 120.400 0.181 0.000 2.464 10 K HA 0.601 4.921 4.320 -0.000 0.000 0.253 10 K C -1.628 175.082 176.600 0.183 0.000 0.933 10 K CA -1.031 55.379 56.287 0.205 0.000 0.801 10 K CB 1.881 34.447 32.500 0.110 0.000 1.271 10 K HN 0.376 nan 8.250 nan 0.000 0.430 11 L N 1.769 123.121 121.223 0.215 0.000 2.406 11 L HA 0.421 4.761 4.340 -0.000 0.000 0.272 11 L C -1.730 175.244 176.870 0.174 0.000 0.980 11 L CA -0.263 54.665 54.840 0.147 0.000 0.831 11 L CB 1.812 43.897 42.059 0.043 0.000 1.253 11 L HN 0.801 nan 8.230 nan 0.000 0.406 12 D N 4.807 125.318 120.400 0.184 0.000 2.349 12 D HA 0.310 4.950 4.640 -0.000 0.000 0.232 12 D C -1.373 175.125 176.300 0.330 0.000 1.071 12 D CA -0.217 53.901 54.000 0.196 0.000 0.832 12 D CB 1.723 42.581 40.800 0.097 0.000 1.086 12 D HN 0.468 nan 8.370 nan 0.000 0.504 13 L N 6.481 127.916 121.223 0.353 0.000 2.280 13 L HA 0.483 4.823 4.340 -0.000 0.000 0.287 13 L C -1.578 175.569 176.870 0.461 0.000 1.023 13 L CA -0.566 54.541 54.840 0.444 0.000 0.819 13 L CB 0.466 42.748 42.059 0.373 0.000 1.212 13 L HN 0.341 nan 8.230 nan 0.000 0.420 14 Y N 3.080 123.396 120.300 0.027 0.000 2.581 14 Y HA 1.015 5.565 4.550 -0.000 0.000 0.345 14 Y C -0.217 175.241 175.900 -0.737 0.000 1.036 14 Y CA -0.964 56.845 58.100 -0.484 0.000 1.042 14 Y CB 1.451 39.731 38.460 -0.301 0.000 1.289 14 Y HN 0.779 nan 8.280 nan 0.000 0.471 15 G N 1.283 109.233 108.800 -1.415 0.000 2.342 15 G HA2 0.557 4.517 3.960 -0.000 0.000 0.297 15 G HA3 0.557 4.517 3.960 -0.000 0.000 0.297 15 G C -2.239 172.328 174.900 -0.555 0.000 1.313 15 G CA -0.956 43.635 45.100 -0.848 0.000 0.830 15 G HN 1.074 nan 8.290 nan 0.000 0.506 16 K N -1.707 118.581 120.400 -0.187 0.000 2.568 16 K HA 0.717 5.037 4.320 -0.000 0.000 0.273 16 K C -1.747 174.829 176.600 -0.040 0.000 0.951 16 K CA -0.989 55.267 56.287 -0.051 0.000 0.854 16 K CB 2.221 34.648 32.500 -0.121 0.000 1.424 16 K HN 0.519 nan 8.250 nan 0.000 0.427 17 V N 1.394 121.330 119.914 0.037 0.000 2.357 17 V HA 0.289 4.409 4.120 -0.000 0.000 0.284 17 V C -0.729 175.294 176.094 -0.118 0.000 1.018 17 V CA -0.473 61.794 62.300 -0.054 0.000 0.841 17 V CB 1.017 32.863 31.823 0.038 0.000 0.991 17 V HN 0.877 nan 8.190 nan 0.000 0.437 18 E N 3.752 123.758 120.200 -0.323 0.000 2.063 18 E HA 0.484 4.834 4.350 -0.000 0.000 0.265 18 E C 0.564 177.065 176.600 -0.165 0.000 0.919 18 E CA -0.403 55.830 56.400 -0.280 0.000 0.756 18 E CB 0.971 30.333 29.700 -0.564 0.000 1.120 18 E HN 0.830 nan 8.360 nan 0.000 0.414 19 G N 4.722 113.479 108.800 -0.072 0.000 2.588 19 G HA2 0.297 4.257 3.960 -0.000 0.000 0.297 19 G HA3 0.297 4.257 3.960 -0.000 0.000 0.297 19 G C -0.776 174.106 174.900 -0.030 0.000 0.874 19 G CA -0.198 44.879 45.100 -0.039 0.000 1.607 19 G HN 0.378 nan 8.290 nan 0.000 0.486 20 L N 2.181 123.405 121.223 0.002 0.000 2.346 20 L HA 0.725 5.065 4.340 -0.000 0.000 0.274 20 L C -0.796 176.100 176.870 0.043 0.000 1.007 20 L CA -1.322 53.536 54.840 0.029 0.000 0.818 20 L CB 2.242 44.369 42.059 0.114 0.000 1.284 20 L HN 0.580 nan 8.230 nan 0.000 0.424 21 H N 2.793 121.816 119.070 -0.079 0.000 2.934 21 H HA 0.462 5.018 4.556 -0.000 0.000 0.340 21 H C -1.627 173.568 175.328 -0.222 0.000 1.008 21 H CA -0.452 55.478 56.048 -0.197 0.000 1.317 21 H CB 0.862 30.425 29.762 -0.332 0.000 1.670 21 H HN 0.479 nan 8.280 nan 0.000 0.516 22 Y N 4.218 124.188 120.300 -0.549 0.000 2.304 22 Y HA 0.262 4.812 4.550 -0.000 0.000 0.328 22 Y C -0.637 175.007 175.900 -0.427 0.000 1.123 22 Y CA -0.473 57.434 58.100 -0.322 0.000 1.218 22 Y CB 0.311 38.678 38.460 -0.155 0.000 1.207 22 Y HN 0.481 nan 8.280 nan 0.000 0.495 23 F N 1.139 121.199 119.950 0.184 0.000 2.495 23 F HA 0.627 5.154 4.527 -0.000 0.000 0.327 23 F C 0.193 175.998 175.800 0.007 0.000 1.103 23 F CA -0.712 57.356 58.000 0.113 0.000 0.949 23 F CB 2.123 41.169 39.000 0.077 0.000 1.142 23 F HN 0.308 nan 8.300 nan 0.000 0.457 24 S N 1.037 116.859 115.700 0.203 0.000 2.578 24 S HA 0.261 4.731 4.470 -0.000 0.000 0.272 24 S C -0.278 174.362 174.600 0.066 0.000 1.145 24 S CA -0.632 57.613 58.200 0.074 0.000 0.835 24 S CB 1.223 64.451 63.200 0.047 0.000 1.104 24 S HN 0.556 nan 8.310 nan 0.000 0.458 25 D N 1.433 121.850 120.400 0.028 0.000 2.183 25 D HA 0.058 4.698 4.640 -0.000 0.000 0.203 25 D C 0.571 176.885 176.300 0.023 0.000 0.969 25 D CA 0.862 54.877 54.000 0.026 0.000 0.842 25 D CB -0.095 40.713 40.800 0.014 0.000 0.957 25 D HN 0.446 nan 8.370 nan 0.000 0.484 26 N N 1.462 120.170 118.700 0.015 0.000 2.452 26 N HA -0.065 4.675 4.740 -0.000 0.000 0.266 26 N C 0.297 175.821 175.510 0.024 0.000 1.209 26 N CA 0.203 53.260 53.050 0.011 0.000 0.929 26 N CB 0.836 39.322 38.487 -0.002 0.000 1.063 26 N HN -0.032 nan 8.380 nan 0.000 0.472 27 D N 1.235 121.646 120.400 0.018 0.000 2.178 27 D HA -0.144 4.496 4.640 -0.000 0.000 0.202 27 D C 1.548 177.852 176.300 0.007 0.000 0.974 27 D CA 1.114 55.125 54.000 0.018 0.000 0.841 27 D CB 0.051 40.858 40.800 0.013 0.000 0.953 27 D HN 0.682 nan 8.370 nan 0.000 0.478 28 S N 0.091 115.790 115.700 -0.001 0.000 2.453 28 S HA -0.044 4.426 4.470 -0.000 0.000 0.231 28 S C 1.311 175.908 174.600 -0.006 0.000 1.005 28 S CA 0.574 58.766 58.200 -0.014 0.000 0.949 28 S CB 0.103 63.289 63.200 -0.023 0.000 0.774 28 S HN -0.049 nan 8.310 nan 0.000 0.510 29 K N 1.966 122.383 120.400 0.029 0.000 2.981 29 K HA 0.357 4.677 4.320 -0.000 0.000 0.213 29 K C -0.934 175.755 176.600 0.148 0.000 1.154 29 K CA -0.007 56.343 56.287 0.104 0.000 1.111 29 K CB 0.117 32.690 32.500 0.121 0.000 0.975 29 K HN 0.409 nan 8.250 nan 0.000 0.462 30 D N -0.155 120.276 120.400 0.053 0.000 2.964 30 D HA 0.522 5.162 4.640 -0.000 0.000 0.234 30 D C -0.151 176.095 176.300 -0.091 0.000 1.223 30 D CA 0.057 54.074 54.000 0.028 0.000 0.889 30 D CB 2.075 42.917 40.800 0.069 0.000 1.609 30 D HN 0.337 nan 8.370 nan 0.000 0.523 31 G N 2.735 111.361 108.800 -0.289 0.000 2.325 31 G HA2 0.038 3.998 3.960 -0.000 0.000 0.285 31 G HA3 0.038 3.998 3.960 -0.000 0.000 0.285 31 G C -1.182 173.280 174.900 -0.731 0.000 1.303 31 G CA -0.714 44.132 45.100 -0.424 0.000 0.970 31 G HN 0.494 nan 8.290 nan 0.000 0.490 32 D N 0.410 120.568 120.400 -0.405 0.000 2.417 32 D HA 0.422 5.062 4.640 -0.000 0.000 0.250 32 D C 0.671 176.830 176.300 -0.235 0.000 1.166 32 D CA 0.154 54.004 54.000 -0.249 0.000 0.881 32 D CB 0.733 41.496 40.800 -0.061 0.000 1.164 32 D HN 0.329 nan 8.370 nan 0.000 0.467 33 K N 2.762 123.028 120.400 -0.223 0.000 2.758 33 K HA 0.132 4.452 4.320 -0.000 0.000 0.208 33 K C -0.198 176.392 176.600 -0.016 0.000 1.091 33 K CA -0.377 55.782 56.287 -0.212 0.000 1.059 33 K CB 0.433 32.651 32.500 -0.471 0.000 0.801 33 K HN 0.364 nan 8.250 nan 0.000 0.470 34 T N 2.372 116.928 114.554 0.004 0.000 2.902 34 T HA 0.134 4.484 4.350 -0.000 0.000 0.301 34 T C -0.218 174.548 174.700 0.111 0.000 1.012 34 T CA 0.547 62.673 62.100 0.043 0.000 1.151 34 T CB -0.110 68.759 68.868 0.001 0.000 0.946 34 T HN 0.285 nan 8.240 nan 0.000 0.542 35 Y N 1.550 121.814 120.300 -0.060 0.000 2.689 35 Y HA 0.824 5.374 4.550 -0.000 0.000 0.333 35 Y C -1.076 174.777 175.900 -0.078 0.000 1.190 35 Y CA -1.856 56.193 58.100 -0.087 0.000 1.063 35 Y CB 1.600 39.991 38.460 -0.115 0.000 1.294 35 Y HN 0.475 nan 8.280 nan 0.000 0.466 36 M N 2.494 122.033 119.600 -0.102 0.000 2.470 36 M HA 0.574 5.054 4.480 -0.000 0.000 0.285 36 M C -2.262 173.969 176.300 -0.116 0.000 1.213 36 M CA -0.432 54.761 55.300 -0.178 0.000 0.901 36 M CB 2.738 35.287 32.600 -0.084 0.000 1.718 36 M HN 1.057 nan 8.290 nan 0.000 0.469 37 R N 2.498 122.902 120.500 -0.160 0.000 2.854 37 R HA 0.882 5.222 4.340 -0.000 0.000 0.271 37 R C -1.651 174.485 176.300 -0.273 0.000 0.994 37 R CA -1.040 54.922 56.100 -0.229 0.000 0.945 37 R CB 2.755 32.924 30.300 -0.217 0.000 1.194 37 R HN 0.703 nan 8.270 nan 0.000 0.476 38 L N -0.149 120.834 121.223 -0.399 0.000 2.526 38 L HA 0.709 5.048 4.340 -0.000 0.000 0.263 38 L C -1.167 175.266 176.870 -0.728 0.000 0.943 38 L CA 0.010 54.608 54.840 -0.403 0.000 0.859 38 L CB 2.351 44.345 42.059 -0.109 0.000 1.313 38 L HN 0.800 nan 8.230 nan 0.000 0.406 39 G N 2.637 110.925 108.800 -0.853 0.000 2.687 39 G HA2 0.712 4.672 3.960 -0.000 0.000 0.291 39 G HA3 0.712 4.672 3.960 -0.000 0.000 0.291 39 G C -1.910 172.915 174.900 -0.126 0.000 1.420 39 G CA -0.455 44.165 45.100 -0.801 0.000 0.796 39 G HN 0.797 nan 8.290 nan 0.000 0.485 40 F N -1.134 119.028 119.950 0.355 0.000 2.569 40 F HA 0.793 5.319 4.527 -0.000 0.000 0.312 40 F C -0.586 175.429 175.800 0.359 0.000 1.109 40 F CA -1.353 56.909 58.000 0.437 0.000 0.919 40 F CB 1.970 41.141 39.000 0.285 0.000 1.211 40 F HN 0.248 nan 8.300 nan 0.000 0.446 41 K N 2.267 122.930 120.400 0.438 0.000 2.183 41 K HA 0.698 5.018 4.320 -0.000 0.000 0.274 41 K C -0.050 176.725 176.600 0.291 0.000 1.009 41 K CA -0.704 55.718 56.287 0.225 0.000 0.888 41 K CB 1.957 34.451 32.500 -0.011 0.000 1.078 41 K HN 0.968 nan 8.250 nan 0.000 0.459 42 G N 1.453 110.430 108.800 0.296 0.000 2.537 42 G HA2 0.561 4.521 3.960 -0.000 0.000 0.308 42 G HA3 0.561 4.521 3.960 -0.000 0.000 0.308 42 G C -1.408 173.611 174.900 0.199 0.000 1.237 42 G CA -0.325 44.904 45.100 0.215 0.000 0.968 42 G HN 0.585 nan 8.290 nan 0.000 0.481 43 E N -1.072 119.222 120.200 0.157 0.000 2.422 43 E HA 0.487 4.837 4.350 -0.000 0.000 0.289 43 E C -1.813 174.862 176.600 0.125 0.000 0.985 43 E CA -0.619 55.880 56.400 0.165 0.000 0.812 43 E CB 2.255 32.036 29.700 0.135 0.000 1.226 43 E HN 0.545 nan 8.360 nan 0.000 0.419 44 T N 2.645 117.271 114.554 0.120 0.000 2.916 44 T HA 0.262 4.612 4.350 -0.000 0.000 0.298 44 T C -1.334 173.416 174.700 0.084 0.000 1.031 44 T CA -0.679 61.475 62.100 0.091 0.000 0.993 44 T CB 1.417 70.328 68.868 0.071 0.000 1.045 44 T HN 0.328 nan 8.240 nan 0.000 0.454 45 Q N 3.470 123.310 119.800 0.067 0.000 2.296 45 Q HA 0.262 4.602 4.340 -0.000 0.000 0.262 45 Q C 0.953 176.984 176.000 0.052 0.000 0.981 45 Q CA 0.023 55.858 55.803 0.053 0.000 0.905 45 Q CB 1.617 30.377 28.738 0.037 0.000 1.186 45 Q HN 0.624 nan 8.270 nan 0.000 0.399 46 V N 1.404 121.352 119.914 0.056 0.000 2.690 46 V HA 0.065 4.185 4.120 -0.000 0.000 0.240 46 V C 1.025 177.150 176.094 0.051 0.000 1.078 46 V CA 1.460 63.794 62.300 0.058 0.000 1.102 46 V CB 0.293 32.161 31.823 0.075 0.000 0.800 46 V HN 0.881 nan 8.190 nan 0.000 0.479 47 T N -3.998 110.582 114.554 0.044 0.000 2.696 47 T HA 0.306 4.656 4.350 -0.000 0.000 0.291 47 T C 0.250 174.945 174.700 -0.009 0.000 1.095 47 T CA -0.144 61.973 62.100 0.029 0.000 1.026 47 T CB 1.595 70.496 68.868 0.056 0.000 1.390 47 T HN -0.027 nan 8.240 nan 0.000 0.513 48 D N 0.352 120.739 120.400 -0.022 0.000 2.133 48 D HA -0.137 4.503 4.640 -0.000 0.000 0.192 48 D C 2.042 178.265 176.300 -0.128 0.000 1.001 48 D CA 1.811 55.778 54.000 -0.056 0.000 0.844 48 D CB 0.055 40.825 40.800 -0.050 0.000 0.944 48 D HN 0.504 nan 8.370 nan 0.000 0.447 49 Q N -0.780 118.889 119.800 -0.219 0.000 2.274 49 Q HA 0.097 4.437 4.340 -0.000 0.000 0.198 49 Q C 0.808 176.550 176.000 -0.429 0.000 0.955 49 Q CA -0.132 55.348 55.803 -0.538 0.000 0.859 49 Q CB -0.224 27.853 28.738 -1.102 0.000 0.956 49 Q HN 0.234 nan 8.270 nan 0.000 0.516 50 L N 2.600 123.726 121.223 -0.161 0.000 2.331 50 L HA 0.261 4.601 4.340 -0.000 0.000 0.278 50 L C -0.320 176.588 176.870 0.064 0.000 1.106 50 L CA 0.422 55.307 54.840 0.075 0.000 0.824 50 L CB 1.119 43.322 42.059 0.240 0.000 1.142 50 L HN 0.167 nan 8.230 nan 0.000 0.443 51 T N 1.769 116.385 114.554 0.104 0.000 2.916 51 T HA 0.819 5.168 4.350 -0.000 0.000 0.298 51 T C -0.269 174.534 174.700 0.172 0.000 1.031 51 T CA -0.261 61.912 62.100 0.121 0.000 0.993 51 T CB 1.374 70.307 68.868 0.109 0.000 1.045 51 T HN 0.862 nan 8.240 nan 0.000 0.454 52 G N 2.287 111.168 108.800 0.135 0.000 2.420 52 G HA2 0.715 4.675 3.960 -0.000 0.000 0.331 52 G HA3 0.715 4.675 3.960 -0.000 0.000 0.331 52 G C -1.393 173.591 174.900 0.140 0.000 1.168 52 G CA -1.091 44.047 45.100 0.063 0.000 0.936 52 G HN 1.014 nan 8.290 nan 0.000 0.479 53 Y N -1.040 119.327 120.300 0.112 0.000 2.562 53 Y HA 0.818 5.368 4.550 -0.000 0.000 0.345 53 Y C 0.096 176.075 175.900 0.132 0.000 1.045 53 Y CA -1.432 56.740 58.100 0.119 0.000 1.028 53 Y CB 1.404 39.945 38.460 0.134 0.000 1.297 53 Y HN 0.811 nan 8.280 nan 0.000 0.463 54 G N 0.675 109.668 108.800 0.321 0.000 2.569 54 G HA2 0.598 4.558 3.960 -0.000 0.000 0.300 54 G HA3 0.598 4.558 3.960 -0.000 0.000 0.300 54 G C -2.117 172.886 174.900 0.171 0.000 1.269 54 G CA -1.081 44.162 45.100 0.238 0.000 0.959 54 G HN 0.874 nan 8.290 nan 0.000 0.478 55 Q N -0.750 118.972 119.800 -0.130 0.000 2.403 55 Q HA 0.446 4.786 4.340 -0.000 0.000 0.267 55 Q C -2.430 173.322 176.000 -0.412 0.000 0.991 55 Q CA -0.813 54.798 55.803 -0.321 0.000 0.906 55 Q CB 2.522 30.890 28.738 -0.617 0.000 1.422 55 Q HN 0.634 nan 8.270 nan 0.000 0.400 56 W N 2.719 123.605 121.300 -0.689 0.000 3.033 56 W HA 0.681 5.341 4.660 -0.000 0.000 0.336 56 W C -1.718 174.535 176.519 -0.443 0.000 1.173 56 W CA -0.419 56.517 57.345 -0.681 0.000 1.185 56 W CB 1.869 30.622 29.460 -1.178 0.000 1.425 56 W HN 0.717 nan 8.180 nan 0.000 0.536 57 E N 4.224 123.746 120.200 -1.130 0.000 2.406 57 E HA 0.212 4.562 4.350 -0.000 0.000 0.297 57 E C -2.322 173.626 176.600 -1.086 0.000 0.917 57 E CA -0.610 55.154 56.400 -1.060 0.000 0.795 57 E CB 1.253 30.672 29.700 -0.469 0.000 1.285 57 E HN 0.396 nan 8.360 nan 0.000 0.400 58 Y N 2.318 121.804 120.300 -1.357 0.000 2.496 58 Y HA 0.451 5.001 4.550 -0.000 0.000 0.331 58 Y C -0.790 174.683 175.900 -0.711 0.000 1.140 58 Y CA -0.450 57.106 58.100 -0.907 0.000 1.166 58 Y CB 1.989 40.002 38.460 -0.745 0.000 1.249 58 Y HN 0.591 nan 8.280 nan 0.000 0.479 59 Q N 4.479 123.614 119.800 -1.109 0.000 2.323 59 Q HA 0.640 4.980 4.340 -0.000 0.000 0.271 59 Q C -2.011 173.370 176.000 -1.032 0.000 1.048 59 Q CA -0.546 54.654 55.803 -1.005 0.000 0.792 59 Q CB 1.338 29.287 28.738 -1.315 0.000 1.280 59 Q HN 0.723 nan 8.270 nan 0.000 0.441 60 I N 3.617 123.892 120.570 -0.493 0.000 2.439 60 I HA 0.249 4.419 4.170 -0.000 0.000 0.285 60 I C -0.436 175.601 176.117 -0.133 0.000 1.021 60 I CA -1.092 60.046 61.300 -0.270 0.000 1.091 60 I CB 1.847 39.816 38.000 -0.052 0.000 1.242 60 I HN 0.507 nan 8.210 nan 0.000 0.439 61 Q N 4.020 123.767 119.800 -0.089 0.000 2.337 61 Q HA 0.198 4.538 4.340 -0.000 0.000 0.270 61 Q C 0.830 176.839 176.000 0.015 0.000 1.002 61 Q CA 0.113 55.920 55.803 0.007 0.000 0.888 61 Q CB 1.358 30.120 28.738 0.040 0.000 1.222 61 Q HN 0.926 nan 8.270 nan 0.000 0.400 62 G N 1.757 110.574 108.800 0.027 0.000 3.899 62 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.293 62 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.293 62 G C 0.370 175.273 174.900 0.005 0.000 1.054 62 G CA -0.358 44.748 45.100 0.010 0.000 0.846 62 G HN 0.584 nan 8.290 nan 0.000 0.525 63 N N -0.461 118.241 118.700 0.003 0.000 2.205 63 N HA 0.121 4.861 4.740 -0.000 0.000 0.201 63 N C 0.115 175.618 175.510 -0.012 0.000 1.128 63 N CA -0.254 52.788 53.050 -0.014 0.000 0.867 63 N CB 0.613 39.075 38.487 -0.040 0.000 0.996 63 N HN 0.326 nan 8.380 nan 0.000 0.503 64 E N 0.705 120.904 120.200 -0.001 0.000 2.244 64 E HA 0.461 4.811 4.350 -0.000 0.000 0.266 64 E C -2.335 174.268 176.600 0.005 0.000 0.914 64 E CA -1.956 54.445 56.400 0.001 0.000 0.794 64 E CB 1.963 31.668 29.700 0.009 0.000 1.210 64 E HN 0.151 nan 8.360 nan 0.000 0.414 65 P HA 0.150 nan 4.420 nan 0.000 0.284 65 P C -0.095 177.211 177.300 0.009 0.000 1.292 65 P CA -0.285 62.818 63.100 0.006 0.000 0.800 65 P CB 0.820 32.523 31.700 0.004 0.000 1.188 66 E N -0.394 119.811 120.200 0.008 0.000 2.267 66 E HA -0.119 4.231 4.350 -0.000 0.000 0.197 66 E C 1.708 178.315 176.600 0.012 0.000 0.998 66 E CA 1.429 57.835 56.400 0.010 0.000 0.830 66 E CB 0.021 29.726 29.700 0.008 0.000 0.751 66 E HN 0.483 nan 8.360 nan 0.000 0.491 67 S N 1.144 116.850 115.700 0.011 0.000 2.315 67 S HA -0.133 4.337 4.470 -0.000 0.000 0.196 67 S C 0.904 175.514 174.600 0.017 0.000 1.045 67 S CA 0.342 58.549 58.200 0.013 0.000 1.055 67 S CB -0.464 62.742 63.200 0.010 0.000 0.963 67 S HN 0.132 nan 8.310 nan 0.000 0.439 68 D N 1.837 122.247 120.400 0.016 0.000 2.389 68 D HA 0.231 4.871 4.640 -0.000 0.000 0.247 68 D C -0.696 175.619 176.300 0.026 0.000 1.128 68 D CA 0.008 54.020 54.000 0.021 0.000 0.884 68 D CB 0.104 40.914 40.800 0.016 0.000 1.194 68 D HN 0.392 nan 8.370 nan 0.000 0.441 69 N N 2.632 121.354 118.700 0.038 0.000 2.685 69 N HA 0.059 4.799 4.740 -0.000 0.000 0.252 69 N C -1.283 174.267 175.510 0.066 0.000 1.261 69 N CA -0.410 52.667 53.050 0.045 0.000 0.768 69 N CB 0.799 39.311 38.487 0.042 0.000 1.304 69 N HN 0.459 nan 8.380 nan 0.000 0.536 70 S N 1.191 116.936 115.700 0.076 0.000 2.562 70 S HA 0.554 5.024 4.470 -0.000 0.000 0.281 70 S C 0.244 174.939 174.600 0.158 0.000 1.333 70 S CA -0.287 57.989 58.200 0.126 0.000 1.052 70 S CB 1.035 64.309 63.200 0.124 0.000 0.884 70 S HN 0.552 nan 8.310 nan 0.000 0.506 71 S N 1.161 116.980 115.700 0.199 0.000 2.565 71 S HA 0.739 5.209 4.470 -0.000 0.000 0.274 71 S C -1.347 173.191 174.600 -0.104 0.000 1.144 71 S CA -1.189 56.951 58.200 -0.100 0.000 0.849 71 S CB 0.074 63.218 63.200 -0.094 0.000 1.103 71 S HN 1.568 nan 8.310 nan 0.000 0.455 72 W N -0.536 120.233 121.300 -0.885 0.000 3.146 72 W HA 0.708 5.368 4.660 -0.000 0.000 0.319 72 W C -1.308 174.708 176.519 -0.839 0.000 1.258 72 W CA -0.919 56.019 57.345 -0.678 0.000 1.189 72 W CB 0.307 29.562 29.460 -0.341 0.000 1.412 72 W HN 0.589 nan 8.180 nan 0.000 0.567 73 T N 2.554 117.121 114.554 0.022 0.000 2.901 73 T HA 0.222 4.572 4.350 -0.000 0.000 0.301 73 T C 0.820 175.502 174.700 -0.030 0.000 1.012 73 T CA -0.133 62.032 62.100 0.109 0.000 1.135 73 T CB 1.294 70.352 68.868 0.316 0.000 0.936 73 T HN 0.536 nan 8.240 nan 0.000 0.539 74 R N 1.292 121.650 120.500 -0.237 0.000 2.102 74 R HA 0.293 4.633 4.340 -0.000 0.000 0.208 74 R C 0.384 176.501 176.300 -0.305 0.000 1.131 74 R CA 0.277 56.157 56.100 -0.367 0.000 1.054 74 R CB 0.438 30.475 30.300 -0.439 0.000 0.954 74 R HN 0.587 nan 8.270 nan 0.000 0.465 75 V N -2.443 117.371 119.914 -0.166 0.000 2.760 75 V HA 0.887 5.007 4.120 -0.000 0.000 0.309 75 V C -1.461 174.643 176.094 0.016 0.000 1.077 75 V CA -1.109 61.202 62.300 0.019 0.000 0.910 75 V CB 1.870 33.787 31.823 0.157 0.000 1.008 75 V HN 0.116 nan 8.190 nan 0.000 0.424 76 A N 5.272 128.170 122.820 0.130 0.000 2.547 76 A HA 0.922 5.242 4.320 -0.000 0.000 0.279 76 A C -1.085 176.592 177.584 0.154 0.000 1.088 76 A CA -0.396 51.706 52.037 0.108 0.000 0.796 76 A CB 0.768 19.898 19.000 0.218 0.000 1.308 76 A HN 2.107 nan 8.150 nan 0.000 0.415 77 F N -0.025 119.987 119.950 0.104 0.000 2.654 77 F HA 0.913 5.440 4.527 -0.000 0.000 0.308 77 F C -0.305 175.564 175.800 0.115 0.000 1.108 77 F CA -0.944 57.102 58.000 0.077 0.000 0.957 77 F CB 1.124 40.168 39.000 0.074 0.000 1.309 77 F HN 0.788 nan 8.300 nan 0.000 0.446 78 A N 1.001 123.999 122.820 0.298 0.000 2.384 78 A HA 1.053 5.373 4.320 -0.000 0.000 0.312 78 A C -0.302 177.274 177.584 -0.013 0.000 1.113 78 A CA -0.482 51.636 52.037 0.135 0.000 0.779 78 A CB 1.352 20.392 19.000 0.066 0.000 1.307 78 A HN 2.143 nan 8.150 nan 0.000 0.436 79 G N -0.568 107.995 108.800 -0.395 0.000 2.368 79 G HA2 0.519 4.479 3.960 -0.000 0.000 0.293 79 G HA3 0.519 4.479 3.960 -0.000 0.000 0.293 79 G C -1.509 172.852 174.900 -0.898 0.000 1.467 79 G CA -0.757 43.979 45.100 -0.606 0.000 0.804 79 G HN 0.753 nan 8.290 nan 0.000 0.535 80 L N -0.248 120.788 121.223 -0.312 0.000 2.331 80 L HA 0.841 5.181 4.340 -0.000 0.000 0.268 80 L C 0.029 177.027 176.870 0.212 0.000 1.015 80 L CA -1.054 53.760 54.840 -0.042 0.000 0.807 80 L CB 2.262 44.385 42.059 0.106 0.000 1.293 80 L HN 0.598 nan 8.230 nan 0.000 0.451 81 K N 1.196 121.763 120.400 0.278 0.000 2.588 81 K HA 0.390 4.710 4.320 -0.000 0.000 0.250 81 K C -2.066 174.692 176.600 0.263 0.000 0.972 81 K CA -0.450 56.016 56.287 0.299 0.000 0.821 81 K CB 1.808 34.501 32.500 0.321 0.000 1.249 81 K HN 0.388 nan 8.250 nan 0.000 0.442 82 F N 3.128 123.146 119.950 0.114 0.000 2.458 82 F HA 0.320 4.847 4.527 -0.000 0.000 0.336 82 F C 0.141 175.988 175.800 0.079 0.000 1.114 82 F CA -0.472 57.584 58.000 0.094 0.000 0.987 82 F CB 1.778 40.838 39.000 0.100 0.000 1.130 82 F HN 0.584 nan 8.300 nan 0.000 0.458 83 Q N 4.247 123.809 119.800 -0.396 0.000 2.283 83 Q HA 0.041 4.381 4.340 -0.000 0.000 0.301 83 Q C 0.134 176.165 176.000 0.051 0.000 1.063 83 Q CA 1.211 56.897 55.803 -0.195 0.000 0.952 83 Q CB 0.131 28.679 28.738 -0.318 0.000 1.166 83 Q HN 0.751 nan 8.270 nan 0.000 0.381 84 D N 1.578 122.036 120.400 0.097 0.000 3.070 84 D HA -0.204 4.436 4.640 -0.000 0.000 0.220 84 D C 0.091 176.596 176.300 0.341 0.000 1.176 84 D CA 1.079 55.188 54.000 0.182 0.000 0.924 84 D CB -1.252 39.647 40.800 0.165 0.000 1.124 84 D HN 0.330 nan 8.370 nan 0.000 0.411 85 V N -1.677 118.463 119.914 0.377 0.000 2.950 85 V HA 0.617 4.737 4.120 -0.000 0.000 0.231 85 V C 1.451 177.767 176.094 0.370 0.000 1.205 85 V CA 1.362 63.943 62.300 0.468 0.000 1.239 85 V CB 1.057 33.139 31.823 0.431 0.000 1.050 85 V HN 0.514 nan 8.190 nan 0.000 0.498 86 G N 0.031 108.952 108.800 0.202 0.000 2.368 86 G HA2 0.422 4.382 3.960 -0.000 0.000 0.269 86 G HA3 0.422 4.382 3.960 -0.000 0.000 0.269 86 G C -1.071 173.820 174.900 -0.016 0.000 1.291 86 G CA 0.257 45.303 45.100 -0.089 0.000 0.903 86 G HN 0.985 nan 8.290 nan 0.000 0.483 87 S N -1.437 114.170 115.700 -0.154 0.000 2.537 87 S HA 0.782 5.252 4.470 -0.000 0.000 0.270 87 S C -1.657 173.052 174.600 0.182 0.000 1.142 87 S CA -0.602 57.653 58.200 0.091 0.000 0.870 87 S CB 2.308 65.562 63.200 0.090 0.000 1.112 87 S HN 2.069 nan 8.310 nan 0.000 0.466 88 F N 2.447 122.485 119.950 0.146 0.000 2.585 88 F HA 0.614 5.141 4.527 -0.000 0.000 0.319 88 F C -2.027 173.874 175.800 0.168 0.000 1.165 88 F CA -0.872 57.225 58.000 0.162 0.000 0.949 88 F CB 1.660 40.772 39.000 0.186 0.000 1.218 88 F HN 0.776 nan 8.300 nan 0.000 0.453 89 D N 5.054 125.184 120.400 -0.450 0.000 2.686 89 D HA 0.188 4.828 4.640 -0.000 0.000 0.249 89 D C -1.811 174.303 176.300 -0.309 0.000 1.260 89 D CA -0.273 53.510 54.000 -0.361 0.000 0.910 89 D CB 1.730 42.542 40.800 0.021 0.000 1.323 89 D HN 0.499 nan 8.370 nan 0.000 0.561 90 Y N 1.707 121.776 120.300 -0.386 0.000 2.330 90 Y HA 0.561 5.111 4.550 -0.000 0.000 0.336 90 Y C 0.366 176.314 175.900 0.079 0.000 1.036 90 Y CA 0.690 58.720 58.100 -0.117 0.000 1.125 90 Y CB 1.332 39.740 38.460 -0.088 0.000 1.194 90 Y HN 0.838 nan 8.280 nan 0.000 0.469 91 G N 4.671 113.109 108.800 -0.604 0.000 2.362 91 G HA2 0.041 4.001 3.960 -0.000 0.000 0.288 91 G HA3 0.041 4.001 3.960 -0.000 0.000 0.288 91 G C -1.676 173.139 174.900 -0.142 0.000 1.305 91 G CA -1.336 43.542 45.100 -0.370 0.000 0.910 91 G HN 0.779 nan 8.290 nan 0.000 0.518 92 R N 0.697 121.185 120.500 -0.020 0.000 2.421 92 R HA 0.430 4.770 4.340 -0.000 0.000 0.305 92 R C -0.061 176.388 176.300 0.250 0.000 1.039 92 R CA 0.315 56.446 56.100 0.052 0.000 1.003 92 R CB 0.017 30.334 30.300 0.029 0.000 0.959 92 R HN 0.619 nan 8.270 nan 0.000 0.427 93 N N 2.483 121.376 118.700 0.323 0.000 3.418 93 N HA 0.220 4.960 4.740 -0.000 0.000 0.316 93 N C -1.794 173.821 175.510 0.175 0.000 1.601 93 N CA -0.701 52.509 53.050 0.267 0.000 0.805 93 N CB 0.588 39.105 38.487 0.049 0.000 1.873 93 N HN 0.346 nan 8.380 nan 0.000 0.615 94 Y N 0.393 120.700 120.300 0.010 0.000 2.304 94 Y HA 0.452 5.002 4.550 -0.000 0.000 0.328 94 Y C 1.474 176.987 175.900 -0.646 0.000 1.123 94 Y CA -0.169 57.805 58.100 -0.210 0.000 1.218 94 Y CB 0.942 39.293 38.460 -0.182 0.000 1.207 94 Y HN 0.504 nan 8.280 nan 0.000 0.495 95 G N 1.251 109.686 108.800 -0.609 0.000 2.614 95 G HA2 0.105 4.065 3.960 -0.000 0.000 0.239 95 G HA3 0.105 4.065 3.960 -0.000 0.000 0.239 95 G C 0.894 175.547 174.900 -0.411 0.000 1.240 95 G CA -0.427 44.131 45.100 -0.904 0.000 0.842 95 G HN 0.684 nan 8.290 nan 0.000 0.584 96 V N 2.023 121.729 119.914 -0.346 0.000 2.626 96 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 96 V C 2.858 178.868 176.094 -0.141 0.000 1.067 96 V CA 1.689 63.877 62.300 -0.186 0.000 1.081 96 V CB -0.300 31.457 31.823 -0.109 0.000 0.686 96 V HN 0.496 nan 8.190 nan 0.000 0.468 97 V N -0.361 119.475 119.914 -0.130 0.000 2.324 97 V HA -0.308 3.812 4.120 -0.000 0.000 0.250 97 V C 2.229 178.222 176.094 -0.168 0.000 1.060 97 V CA 2.719 64.939 62.300 -0.133 0.000 1.042 97 V CB -0.885 30.876 31.823 -0.103 0.000 0.650 97 V HN 0.750 nan 8.190 nan 0.000 0.450 98 Y N 1.578 121.682 120.300 -0.327 0.000 2.228 98 Y HA -0.312 4.238 4.550 -0.000 0.000 0.285 98 Y C 2.161 177.832 175.900 -0.382 0.000 1.178 98 Y CA 1.757 59.618 58.100 -0.398 0.000 1.202 98 Y CB -0.762 37.470 38.460 -0.379 0.000 0.974 98 Y HN 0.453 nan 8.280 nan 0.000 0.527 99 D N -0.920 119.305 120.400 -0.292 0.000 2.191 99 D HA -0.238 4.402 4.640 -0.000 0.000 0.190 99 D C 2.252 178.167 176.300 -0.641 0.000 1.007 99 D CA 2.200 55.991 54.000 -0.349 0.000 0.865 99 D CB -0.463 40.209 40.800 -0.213 0.000 0.929 99 D HN 0.295 nan 8.370 nan 0.000 0.447 100 V N 0.030 119.533 119.914 -0.685 0.000 2.403 100 V HA -0.121 3.999 4.120 -0.000 0.000 0.239 100 V C 2.568 178.144 176.094 -0.863 0.000 1.041 100 V CA 1.754 63.426 62.300 -1.046 0.000 1.051 100 V CB -0.924 30.516 31.823 -0.639 0.000 0.704 100 V HN 0.341 nan 8.190 nan 0.000 0.472 101 T N -0.130 114.136 114.554 -0.481 0.000 2.897 101 T HA -0.190 4.160 4.350 -0.000 0.000 0.271 101 T C 1.860 176.417 174.700 -0.239 0.000 1.084 101 T CA 1.633 63.586 62.100 -0.244 0.000 1.123 101 T CB -0.656 68.134 68.868 -0.130 0.000 0.865 101 T HN 0.585 nan 8.240 nan 0.000 0.496 102 S N -0.112 115.201 115.700 -0.643 0.000 2.474 102 S HA -0.081 4.389 4.470 -0.000 0.000 0.235 102 S C 1.519 176.038 174.600 -0.136 0.000 0.997 102 S CA 0.247 57.989 58.200 -0.764 0.000 0.949 102 S CB -0.918 61.349 63.200 -1.555 0.000 0.766 102 S HN 0.661 nan 8.310 nan 0.000 0.517 103 W N 3.128 124.314 121.300 -0.190 0.000 2.468 103 W HA 0.083 4.743 4.660 -0.000 0.000 0.262 103 W C 2.320 178.882 176.519 0.072 0.000 1.241 103 W CA 1.099 58.435 57.345 -0.015 0.000 1.232 103 W CB -1.561 27.897 29.460 -0.003 0.000 1.124 103 W HN 0.612 nan 8.180 nan 0.000 0.597 104 T N -4.094 110.586 114.554 0.209 0.000 3.069 104 T HA 0.019 4.369 4.350 -0.000 0.000 0.252 104 T C 0.635 175.391 174.700 0.093 0.000 1.053 104 T CA 0.086 62.263 62.100 0.128 0.000 0.964 104 T CB 0.068 68.951 68.868 0.025 0.000 1.005 104 T HN -0.199 nan 8.240 nan 0.000 0.532 105 D N 2.543 123.002 120.400 0.098 0.000 3.057 105 D HA 0.160 4.800 4.640 -0.000 0.000 0.246 105 D C 1.137 177.444 176.300 0.012 0.000 1.238 105 D CA -0.185 53.874 54.000 0.100 0.000 0.949 105 D CB 0.389 41.317 40.800 0.213 0.000 1.086 105 D HN 0.412 nan 8.370 nan 0.000 0.487 106 V N -1.110 118.782 119.914 -0.037 0.000 3.380 106 V HA 0.360 4.480 4.120 -0.000 0.000 0.307 106 V C 0.576 176.540 176.094 -0.217 0.000 1.434 106 V CA -0.405 61.811 62.300 -0.140 0.000 1.075 106 V CB -0.501 31.209 31.823 -0.188 0.000 0.954 106 V HN 0.009 nan 8.190 nan 0.000 0.444 107 L N 1.329 122.412 121.223 -0.233 0.000 2.421 107 L HA 0.470 4.810 4.340 -0.000 0.000 0.263 107 L C -0.790 175.834 176.870 -0.410 0.000 1.122 107 L CA -1.620 52.943 54.840 -0.461 0.000 0.804 107 L CB 0.999 42.850 42.059 -0.347 0.000 1.150 107 L HN -0.000 nan 8.230 nan 0.000 0.457 108 P HA -0.079 nan 4.420 nan 0.000 0.229 108 P C 0.436 177.415 177.300 -0.535 0.000 1.160 108 P CA 1.092 63.783 63.100 -0.682 0.000 0.777 108 P CB 0.710 31.688 31.700 -1.203 0.000 0.814 109 E N -1.954 118.021 120.200 -0.374 0.000 3.566 109 E HA 0.162 4.512 4.350 -0.000 0.000 0.241 109 E C 0.423 176.840 176.600 -0.305 0.000 1.208 109 E CA 0.119 56.326 56.400 -0.322 0.000 1.773 109 E CB -0.378 29.066 29.700 -0.426 0.000 1.818 109 E HN -0.108 nan 8.360 nan 0.000 0.865 110 F N 1.006 120.988 119.950 0.053 0.000 2.181 110 F HA 0.634 5.161 4.527 -0.000 0.000 0.285 110 F C 1.496 177.349 175.800 0.088 0.000 1.134 110 F CA 0.413 58.458 58.000 0.076 0.000 1.139 110 F CB -0.253 38.787 39.000 0.067 0.000 1.614 110 F HN 0.238 nan 8.300 nan 0.000 0.519 111 G N -1.044 108.007 108.800 0.419 0.000 2.814 111 G HA2 0.362 4.322 3.960 -0.000 0.000 0.677 111 G HA3 0.362 4.322 3.960 -0.000 0.000 0.677 111 G C 0.389 175.350 174.900 0.101 0.000 1.429 111 G CA -0.193 45.035 45.100 0.214 0.000 0.868 111 G HN 1.883 nan 8.290 nan 0.000 0.553 112 G N -0.426 108.374 108.800 0.000 0.000 2.395 112 G HA2 0.127 4.087 3.960 -0.000 0.000 0.300 112 G HA3 0.127 4.087 3.960 -0.000 0.000 0.300 112 G C 0.438 175.119 174.900 -0.364 0.000 0.998 112 G CA 1.353 46.402 45.100 -0.086 0.000 1.046 112 G HN 2.359 nan 8.290 nan 0.000 0.513 113 D N -1.450 118.730 120.400 -0.366 0.000 2.740 113 D HA 0.135 4.775 4.640 -0.000 0.000 0.301 113 D C 1.438 177.552 176.300 -0.310 0.000 1.408 113 D CA 0.454 54.281 54.000 -0.287 0.000 0.808 113 D CB -0.476 40.314 40.800 -0.017 0.000 1.128 113 D HN 0.406 nan 8.370 nan 0.000 0.465 114 T N -2.354 111.881 114.554 -0.532 0.000 3.129 114 T HA 0.175 4.525 4.350 -0.000 0.000 0.251 114 T C 0.119 174.741 174.700 -0.131 0.000 1.117 114 T CA -0.050 61.890 62.100 -0.267 0.000 1.034 114 T CB -0.739 68.030 68.868 -0.165 0.000 0.968 114 T HN 0.284 nan 8.240 nan 0.000 0.526 115 Y N -0.946 119.394 120.300 0.066 0.000 2.581 115 Y HA 0.834 5.384 4.550 -0.000 0.000 0.345 115 Y C -0.895 175.034 175.900 0.047 0.000 1.036 115 Y CA -1.925 56.220 58.100 0.075 0.000 1.042 115 Y CB 0.995 39.508 38.460 0.088 0.000 1.289 115 Y HN -0.151 nan 8.280 nan 0.000 0.471 116 D N -0.165 120.362 120.400 0.211 0.000 2.506 116 D HA 0.417 5.057 4.640 -0.000 0.000 0.254 116 D C -0.855 175.513 176.300 0.113 0.000 1.089 116 D CA -0.874 53.187 54.000 0.100 0.000 1.050 116 D CB 1.738 42.540 40.800 0.004 0.000 1.221 116 D HN 0.507 nan 8.370 nan 0.000 0.589 117 S N 0.332 116.061 115.700 0.048 0.000 2.565 117 S HA 0.139 4.609 4.470 -0.000 0.000 0.274 117 S C -0.207 174.387 174.600 -0.009 0.000 1.309 117 S CA -0.339 57.889 58.200 0.046 0.000 1.043 117 S CB 0.297 63.498 63.200 0.000 0.000 0.939 117 S HN 0.385 nan 8.310 nan 0.000 0.504 118 D N 1.408 121.812 120.400 0.007 0.000 2.772 118 D HA -0.164 4.476 4.640 -0.000 0.000 0.233 118 D C -0.425 175.823 176.300 -0.087 0.000 1.143 118 D CA 0.459 54.428 54.000 -0.050 0.000 0.700 118 D CB -1.061 39.681 40.800 -0.096 0.000 1.076 118 D HN 0.457 nan 8.370 nan 0.000 0.430 119 N N -0.042 118.650 118.700 -0.014 0.000 3.170 119 N HA 0.283 5.023 4.740 -0.000 0.000 0.305 119 N C 0.127 175.683 175.510 0.076 0.000 1.499 119 N CA -0.187 52.845 53.050 -0.031 0.000 1.110 119 N CB -0.133 38.435 38.487 0.136 0.000 1.390 119 N HN 0.126 nan 8.380 nan 0.000 0.508 120 F N -1.015 119.010 119.950 0.124 0.000 2.183 120 F HA -0.392 4.135 4.527 -0.000 0.000 0.318 120 F C 1.213 177.115 175.800 0.169 0.000 0.276 120 F CA 0.677 58.735 58.000 0.097 0.000 0.912 120 F CB -0.855 38.187 39.000 0.070 0.000 4.135 120 F HN 0.139 nan 8.300 nan 0.000 0.137 121 M N 0.591 120.429 119.600 0.398 0.000 2.631 121 M HA 0.112 4.592 4.480 -0.000 0.000 0.241 121 M C 1.106 177.492 176.300 0.143 0.000 1.255 121 M CA 0.409 55.905 55.300 0.326 0.000 0.983 121 M CB 0.033 32.757 32.600 0.206 0.000 1.580 121 M HN 0.414 nan 8.290 nan 0.000 0.464 122 Q N 0.003 119.899 119.800 0.161 0.000 2.302 122 Q HA 0.058 4.398 4.340 -0.000 0.000 0.202 122 Q C 1.327 177.249 176.000 -0.129 0.000 0.936 122 Q CA 0.878 56.703 55.803 0.037 0.000 0.886 122 Q CB 0.800 29.628 28.738 0.150 0.000 0.986 122 Q HN 0.596 nan 8.270 nan 0.000 0.487 123 Q N -1.614 118.150 119.800 -0.060 0.000 2.555 123 Q HA 0.125 4.465 4.340 -0.000 0.000 0.409 123 Q C -0.700 175.244 176.000 -0.094 0.000 0.669 123 Q CA -0.508 55.152 55.803 -0.237 0.000 0.911 123 Q CB 0.656 29.241 28.738 -0.254 0.000 1.845 123 Q HN 0.245 nan 8.270 nan 0.000 0.292 124 H N -0.933 118.081 119.070 -0.092 0.000 2.913 124 H HA 0.425 4.981 4.556 -0.000 0.000 0.365 124 H C -0.031 175.351 175.328 0.091 0.000 1.155 124 H CA 1.279 57.254 56.048 -0.122 0.000 1.417 124 H CB 0.713 30.361 29.762 -0.191 0.000 1.386 124 H HN 0.600 nan 8.280 nan 0.000 0.614 125 G N 1.031 109.992 108.800 0.267 0.000 2.442 125 G HA2 0.127 4.087 3.960 -0.000 0.000 0.296 125 G HA3 0.127 4.087 3.960 -0.000 0.000 0.296 125 G C -1.535 173.123 174.900 -0.404 0.000 1.564 125 G CA -1.156 43.883 45.100 -0.101 0.000 0.828 125 G HN 0.629 nan 8.290 nan 0.000 0.571 126 N N -0.215 118.232 118.700 -0.422 0.000 2.529 126 N HA 0.484 5.224 4.740 -0.000 0.000 0.278 126 N C 0.957 176.166 175.510 -0.503 0.000 1.146 126 N CA 0.839 53.678 53.050 -0.353 0.000 0.980 126 N CB 1.374 39.739 38.487 -0.203 0.000 1.124 126 N HN 1.662 nan 8.380 nan 0.000 0.458 127 G N 0.894 109.446 108.800 -0.413 0.000 2.272 127 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.280 127 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.280 127 G C -0.721 174.067 174.900 -0.187 0.000 1.067 127 G CA -0.362 44.533 45.100 -0.342 0.000 0.902 127 G HN 0.387 nan 8.290 nan 0.000 0.500 128 F N 0.764 120.658 119.950 -0.093 0.000 2.424 128 F HA 0.603 5.130 4.527 -0.000 0.000 0.356 128 F C 0.834 176.745 175.800 0.185 0.000 1.110 128 F CA -0.634 57.394 58.000 0.047 0.000 1.161 128 F CB 1.475 40.469 39.000 -0.010 0.000 1.115 128 F HN 0.413 nan 8.300 nan 0.000 0.507 129 A N 2.735 125.932 122.820 0.628 0.000 2.276 129 A HA 0.633 4.953 4.320 -0.000 0.000 0.300 129 A C -0.105 177.794 177.584 0.526 0.000 1.235 129 A CA -0.416 52.020 52.037 0.666 0.000 0.867 129 A CB -0.073 19.398 19.000 0.786 0.000 1.137 129 A HN 0.733 nan 8.150 nan 0.000 0.527 130 T N 0.454 115.257 114.554 0.414 0.000 2.906 130 T HA 0.478 4.828 4.350 -0.000 0.000 0.302 130 T C -0.836 174.094 174.700 0.382 0.000 1.002 130 T CA -0.379 61.894 62.100 0.288 0.000 0.988 130 T CB 0.443 69.344 68.868 0.055 0.000 0.972 130 T HN 0.536 nan 8.240 nan 0.000 0.447 131 Y N 3.445 123.906 120.300 0.269 0.000 2.304 131 Y HA 0.677 5.227 4.550 -0.000 0.000 0.328 131 Y C 0.102 176.040 175.900 0.064 0.000 1.123 131 Y CA -0.765 57.455 58.100 0.200 0.000 1.218 131 Y CB 0.928 39.484 38.460 0.159 0.000 1.207 131 Y HN 0.715 nan 8.280 nan 0.000 0.495 132 R N 3.588 123.606 120.500 -0.803 0.000 2.771 132 R HA 0.376 4.715 4.340 -0.000 0.000 0.274 132 R C -1.746 173.891 176.300 -1.105 0.000 0.987 132 R CA -1.274 54.392 56.100 -0.723 0.000 0.908 132 R CB 1.715 31.792 30.300 -0.370 0.000 1.213 132 R HN 0.643 nan 8.270 nan 0.000 0.468 133 N N 0.694 118.804 118.700 -0.984 0.000 2.571 133 N HA 0.117 4.857 4.740 -0.000 0.000 0.286 133 N C -1.616 173.511 175.510 -0.638 0.000 1.138 133 N CA -0.401 52.079 53.050 -0.951 0.000 0.859 133 N CB 1.619 39.244 38.487 -1.437 0.000 1.414 133 N HN 0.617 nan 8.380 nan 0.000 0.529 134 T N 0.308 114.641 114.554 -0.368 0.000 2.889 134 T HA 0.328 4.678 4.350 -0.000 0.000 0.291 134 T C -0.154 174.479 174.700 -0.112 0.000 0.995 134 T CA -0.345 61.639 62.100 -0.193 0.000 1.092 134 T CB 0.686 69.474 68.868 -0.133 0.000 0.954 134 T HN 0.456 nan 8.240 nan 0.000 0.506 135 D N 0.221 120.613 120.400 -0.012 0.000 2.837 135 D HA -0.227 4.413 4.640 -0.000 0.000 0.230 135 D C 0.065 176.472 176.300 0.177 0.000 1.152 135 D CA 1.039 55.086 54.000 0.078 0.000 0.736 135 D CB -2.056 38.775 40.800 0.051 0.000 1.084 135 D HN 0.857 nan 8.370 nan 0.000 0.429 136 F N -0.209 119.715 119.950 -0.044 0.000 2.489 136 F HA -0.334 4.193 4.527 -0.000 0.000 0.203 136 F C 0.180 176.010 175.800 0.049 0.000 1.030 136 F CA 0.782 58.760 58.000 -0.037 0.000 0.877 136 F CB -1.453 37.650 39.000 0.172 0.000 0.855 136 F HN 0.125 nan 8.300 nan 0.000 0.832 137 F N 0.730 120.657 119.950 -0.039 0.000 3.093 137 F HA -0.186 4.341 4.527 -0.000 0.000 0.287 137 F C 1.490 177.329 175.800 0.065 0.000 0.882 137 F CA 1.356 59.342 58.000 -0.023 0.000 1.063 137 F CB -1.637 37.296 39.000 -0.111 0.000 1.097 137 F HN 1.111 nan 8.300 nan 0.000 0.604 138 G N -0.922 107.985 108.800 0.178 0.000 2.168 138 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.257 138 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.257 138 G C 0.826 175.833 174.900 0.177 0.000 0.997 138 G CA 0.543 45.732 45.100 0.148 0.000 0.708 138 G HN 0.587 nan 8.290 nan 0.000 0.520 139 L N -1.181 120.197 121.223 0.258 0.000 2.347 139 L HA 0.277 4.617 4.340 -0.000 0.000 0.196 139 L C 1.209 178.208 176.870 0.214 0.000 1.072 139 L CA 0.420 55.413 54.840 0.255 0.000 0.817 139 L CB 0.185 42.463 42.059 0.366 0.000 1.029 139 L HN 0.074 nan 8.230 nan 0.000 0.478 140 V N 1.275 121.347 119.914 0.264 0.000 2.304 140 V HA 0.111 4.231 4.120 -0.000 0.000 0.269 140 V C -0.746 175.442 176.094 0.157 0.000 1.036 140 V CA -0.674 61.736 62.300 0.183 0.000 0.840 140 V CB 0.643 32.559 31.823 0.155 0.000 1.036 140 V HN 0.161 nan 8.190 nan 0.000 0.466 141 D N 5.081 125.541 120.400 0.100 0.000 2.385 141 D HA 0.343 4.983 4.640 -0.000 0.000 0.260 141 D C 1.098 177.402 176.300 0.006 0.000 1.326 141 D CA 1.197 55.231 54.000 0.057 0.000 1.023 141 D CB 1.130 41.957 40.800 0.045 0.000 1.083 141 D HN 0.872 nan 8.370 nan 0.000 0.517 142 G N 1.639 110.435 108.800 -0.007 0.000 3.382 142 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.214 142 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.214 142 G C -0.009 174.870 174.900 -0.035 0.000 1.025 142 G CA -0.646 44.365 45.100 -0.148 0.000 0.869 142 G HN 0.410 nan 8.290 nan 0.000 0.458 143 L N 3.373 124.700 121.223 0.173 0.000 2.295 143 L HA 0.696 5.036 4.340 -0.000 0.000 0.288 143 L C -1.146 175.888 176.870 0.273 0.000 1.079 143 L CA -0.866 54.160 54.840 0.308 0.000 0.830 143 L CB 0.420 42.673 42.059 0.323 0.000 1.200 143 L HN 0.091 nan 8.230 nan 0.000 0.438 144 D N 5.025 125.555 120.400 0.217 0.000 2.228 144 D HA 0.667 5.307 4.640 -0.000 0.000 0.247 144 D C -0.581 175.864 176.300 0.241 0.000 0.995 144 D CA 0.264 54.338 54.000 0.122 0.000 0.903 144 D CB 1.542 42.360 40.800 0.030 0.000 1.205 144 D HN 0.376 nan 8.370 nan 0.000 0.459 145 F N -1.066 118.910 119.950 0.043 0.000 2.745 145 F HA 0.872 5.399 4.527 -0.000 0.000 0.316 145 F C -1.806 174.015 175.800 0.036 0.000 1.155 145 F CA -1.190 56.846 58.000 0.060 0.000 0.937 145 F CB 1.090 40.164 39.000 0.122 0.000 1.361 145 F HN 0.409 nan 8.300 nan 0.000 0.472 146 A N 0.613 123.643 122.820 0.350 0.000 2.594 146 A HA 0.755 5.075 4.320 -0.000 0.000 0.295 146 A C -2.237 175.560 177.584 0.354 0.000 1.071 146 A CA -0.775 51.402 52.037 0.233 0.000 0.685 146 A CB 1.781 20.814 19.000 0.055 0.000 1.285 146 A HN 1.220 nan 8.150 nan 0.000 0.405 147 V N 1.837 121.977 119.914 0.377 0.000 2.419 147 V HA 0.501 4.621 4.120 -0.000 0.000 0.287 147 V C -0.255 175.999 176.094 0.267 0.000 1.017 147 V CA -0.298 62.181 62.300 0.298 0.000 0.844 147 V CB 1.150 33.148 31.823 0.290 0.000 1.011 147 V HN 0.917 nan 8.190 nan 0.000 0.429 148 Q N 3.110 123.034 119.800 0.207 0.000 2.309 148 Q HA 0.621 4.961 4.340 -0.000 0.000 0.264 148 Q C -1.984 174.196 176.000 0.302 0.000 1.008 148 Q CA -0.744 55.194 55.803 0.226 0.000 0.853 148 Q CB 2.769 31.561 28.738 0.090 0.000 1.314 148 Q HN 0.747 nan 8.270 nan 0.000 0.448 149 Y N 1.760 122.204 120.300 0.240 0.000 2.462 149 Y HA 0.382 4.932 4.550 -0.000 0.000 0.346 149 Y C -1.489 174.602 175.900 0.319 0.000 0.976 149 Y CA -0.570 57.671 58.100 0.235 0.000 1.044 149 Y CB 1.997 40.575 38.460 0.197 0.000 1.230 149 Y HN 0.603 nan 8.280 nan 0.000 0.455 150 Q N 4.122 123.629 119.800 -0.487 0.000 2.292 150 Q HA 0.513 4.853 4.340 -0.000 0.000 0.270 150 Q C -0.578 175.022 176.000 -0.666 0.000 1.024 150 Q CA -0.875 54.725 55.803 -0.340 0.000 0.768 150 Q CB 1.603 30.303 28.738 -0.063 0.000 1.250 150 Q HN 1.065 nan 8.270 nan 0.000 0.447 151 G N 2.699 111.283 108.800 -0.360 0.000 2.594 151 G HA2 0.056 4.016 3.960 -0.000 0.000 0.243 151 G HA3 0.056 4.016 3.960 -0.000 0.000 0.243 151 G C -0.529 174.321 174.900 -0.082 0.000 1.229 151 G CA -0.397 44.623 45.100 -0.134 0.000 0.843 151 G HN 0.673 nan 8.290 nan 0.000 0.578 152 K N 0.431 120.827 120.400 -0.007 0.000 2.489 152 K HA 0.017 4.337 4.320 -0.000 0.000 0.278 152 K C -0.593 176.008 176.600 0.003 0.000 1.000 152 K CA 0.156 56.449 56.287 0.009 0.000 1.012 152 K CB 0.144 32.669 32.500 0.042 0.000 0.903 152 K HN 0.380 nan 8.250 nan 0.000 0.485 153 N N 2.868 121.563 118.700 -0.008 0.000 2.762 153 N HA 0.229 4.969 4.740 -0.000 0.000 0.252 153 N C -0.314 175.188 175.510 -0.012 0.000 1.269 153 N CA -0.333 52.703 53.050 -0.024 0.000 0.799 153 N CB 1.704 40.151 38.487 -0.066 0.000 1.173 153 N HN 0.746 nan 8.380 nan 0.000 0.516 154 G N -0.067 108.735 108.800 0.003 0.000 2.975 154 G HA2 0.396 4.356 3.960 -0.000 0.000 0.159 154 G HA3 0.396 4.356 3.960 -0.000 0.000 0.159 154 G C 0.124 175.016 174.900 -0.012 0.000 1.525 154 G CA -0.195 44.913 45.100 0.013 0.000 1.075 154 G HN 0.382 nan 8.290 nan 0.000 0.574 155 S N -1.749 113.944 115.700 -0.012 0.000 2.745 155 S HA 0.610 5.080 4.470 -0.000 0.000 0.292 155 S C 0.960 175.505 174.600 -0.092 0.000 1.133 155 S CA 0.243 58.404 58.200 -0.066 0.000 0.998 155 S CB 1.680 64.849 63.200 -0.051 0.000 1.087 155 S HN 1.148 nan 8.310 nan 0.000 0.551 156 A N -0.383 122.312 122.820 -0.208 0.000 2.178 156 A HA 0.223 4.543 4.320 -0.000 0.000 0.211 156 A C 0.263 177.831 177.584 -0.026 0.000 1.157 156 A CA 0.240 52.180 52.037 -0.162 0.000 0.780 156 A CB -0.511 18.357 19.000 -0.219 0.000 0.828 156 A HN 0.797 nan 8.150 nan 0.000 0.476 157 H N -0.479 118.593 119.070 0.003 0.000 2.690 157 H HA 0.439 4.995 4.556 -0.000 0.000 0.280 157 H C 1.541 176.854 175.328 -0.025 0.000 1.138 157 H CA -0.379 55.665 56.048 -0.006 0.000 1.241 157 H CB 0.157 29.920 29.762 0.002 0.000 1.394 157 H HN 0.362 nan 8.280 nan 0.000 0.489 158 G N 4.059 112.908 108.800 0.082 0.000 4.637 158 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.359 158 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.359 158 G C 0.352 175.227 174.900 -0.041 0.000 1.577 158 G CA 0.672 45.775 45.100 0.005 0.000 1.463 158 G HN 0.586 nan 8.290 nan 0.000 0.849 159 E N 1.948 122.094 120.200 -0.090 0.000 2.217 159 E HA 0.439 4.789 4.350 -0.000 0.000 0.279 159 E C 0.847 177.386 176.600 -0.103 0.000 1.068 159 E CA 0.402 56.683 56.400 -0.199 0.000 0.882 159 E CB 0.424 29.854 29.700 -0.450 0.000 1.039 159 E HN 1.702 nan 8.360 nan 0.000 0.418 160 G N 3.822 112.582 108.800 -0.067 0.000 2.256 160 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.272 160 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.272 160 G C -0.092 174.821 174.900 0.023 0.000 1.076 160 G CA 0.253 45.365 45.100 0.020 0.000 0.882 160 G HN 0.505 nan 8.290 nan 0.000 0.497 161 M N 1.222 120.825 119.600 0.005 0.000 2.367 161 M HA 0.727 5.207 4.480 -0.000 0.000 0.339 161 M C 0.682 176.989 176.300 0.012 0.000 1.177 161 M CA 0.191 55.495 55.300 0.006 0.000 1.068 161 M CB 1.407 34.010 32.600 0.005 0.000 1.602 161 M HN 0.603 nan 8.290 nan 0.000 0.457 162 T N -0.651 113.908 114.554 0.009 0.000 2.887 162 T HA 0.298 4.648 4.350 -0.000 0.000 0.292 162 T C 0.512 175.219 174.700 0.012 0.000 1.087 162 T CA -0.471 61.638 62.100 0.015 0.000 1.009 162 T CB 1.463 70.341 68.868 0.016 0.000 1.203 162 T HN 0.697 nan 8.240 nan 0.000 0.518 163 T N 0.745 115.311 114.554 0.020 0.000 2.881 163 T HA -0.094 4.256 4.350 -0.000 0.000 0.270 163 T C 1.337 176.046 174.700 0.014 0.000 1.068 163 T CA 1.753 63.865 62.100 0.020 0.000 1.131 163 T CB -0.784 68.102 68.868 0.029 0.000 0.871 163 T HN 0.764 nan 8.240 nan 0.000 0.479 164 N N 0.468 119.174 118.700 0.011 0.000 2.251 164 N HA 0.199 4.939 4.740 -0.000 0.000 0.217 164 N C 0.719 176.218 175.510 -0.018 0.000 1.124 164 N CA -0.168 52.882 53.050 0.000 0.000 0.843 164 N CB -0.471 38.017 38.487 0.001 0.000 1.024 164 N HN 0.323 nan 8.380 nan 0.000 0.501 165 G N 1.324 110.111 108.800 -0.022 0.000 2.484 165 G HA2 0.161 4.121 3.960 -0.000 0.000 0.235 165 G HA3 0.161 4.121 3.960 -0.000 0.000 0.235 165 G C 0.097 174.958 174.900 -0.065 0.000 1.282 165 G CA -0.542 44.533 45.100 -0.042 0.000 0.857 165 G HN 0.516 nan 8.290 nan 0.000 0.571 166 R N 1.539 121.994 120.500 -0.074 0.000 2.562 166 R HA 0.349 4.689 4.340 -0.000 0.000 0.298 166 R C -1.099 175.136 176.300 -0.108 0.000 0.961 166 R CA -0.857 55.192 56.100 -0.084 0.000 0.881 166 R CB 1.905 32.162 30.300 -0.070 0.000 1.159 166 R HN 0.297 nan 8.270 nan 0.000 0.450 167 D N 0.509 120.833 120.400 -0.127 0.000 2.347 167 D HA -0.055 4.585 4.640 -0.000 0.000 0.215 167 D C -0.176 176.076 176.300 -0.081 0.000 0.976 167 D CA 0.972 54.889 54.000 -0.139 0.000 0.884 167 D CB 0.093 40.805 40.800 -0.147 0.000 0.915 167 D HN 0.514 nan 8.370 nan 0.000 0.526 168 D N -0.089 120.271 120.400 -0.068 0.000 2.382 168 D HA 0.003 4.643 4.640 -0.000 0.000 0.245 168 D C 1.243 177.492 176.300 -0.086 0.000 1.120 168 D CA -0.147 53.818 54.000 -0.058 0.000 0.890 168 D CB 1.896 42.681 40.800 -0.025 0.000 1.201 168 D HN -0.210 nan 8.370 nan 0.000 0.433 169 V N 3.450 123.254 119.914 -0.183 0.000 2.825 169 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 169 V C 1.782 177.787 176.094 -0.148 0.000 1.068 169 V CA 0.674 62.846 62.300 -0.213 0.000 1.088 169 V CB -0.551 31.065 31.823 -0.345 0.000 0.733 169 V HN 0.488 nan 8.190 nan 0.000 0.468 170 F N 0.971 120.934 119.950 0.022 0.000 2.325 170 F HA -0.016 4.511 4.527 -0.000 0.000 0.299 170 F C 2.308 178.055 175.800 -0.088 0.000 1.090 170 F CA 1.012 59.022 58.000 0.017 0.000 1.392 170 F CB -0.484 38.434 39.000 -0.137 0.000 1.053 170 F HN 0.197 nan 8.300 nan 0.000 0.521 171 E N -0.145 120.085 120.200 0.049 0.000 2.358 171 E HA -0.079 4.271 4.350 -0.000 0.000 0.195 171 E C 0.704 177.236 176.600 -0.114 0.000 1.010 171 E CA 0.146 56.511 56.400 -0.059 0.000 0.856 171 E CB -0.073 29.591 29.700 -0.061 0.000 0.795 171 E HN 0.499 nan 8.360 nan 0.000 0.504 172 Q N 1.161 120.909 119.800 -0.086 0.000 2.492 172 Q HA 0.137 4.477 4.340 -0.000 0.000 0.238 172 Q C -0.261 175.663 176.000 -0.126 0.000 1.045 172 Q CA 0.177 55.936 55.803 -0.073 0.000 0.934 172 Q CB 0.597 29.329 28.738 -0.010 0.000 1.276 172 Q HN 0.148 nan 8.270 nan 0.000 0.521 173 N N -1.809 116.879 118.700 -0.019 0.000 3.046 173 N HA 0.547 5.287 4.740 -0.000 0.000 0.243 173 N C -1.144 174.431 175.510 0.108 0.000 1.452 173 N CA -0.640 52.483 53.050 0.123 0.000 0.882 173 N CB 0.822 39.385 38.487 0.127 0.000 1.425 173 N HN 0.525 nan 8.380 nan 0.000 0.517 174 G N -0.873 108.011 108.800 0.140 0.000 2.938 174 G HA2 0.430 4.390 3.960 -0.000 0.000 0.258 174 G HA3 0.430 4.390 3.960 -0.000 0.000 0.258 174 G C -1.208 173.701 174.900 0.014 0.000 1.356 174 G CA -0.696 44.442 45.100 0.064 0.000 1.052 174 G HN 0.656 nan 8.290 nan 0.000 0.550 175 D N -0.426 119.975 120.400 0.001 0.000 2.417 175 D HA 0.475 5.115 4.640 -0.000 0.000 0.250 175 D C 0.486 176.760 176.300 -0.043 0.000 1.166 175 D CA 0.975 54.943 54.000 -0.054 0.000 0.881 175 D CB 1.291 42.135 40.800 0.072 0.000 1.164 175 D HN 0.572 nan 8.370 nan 0.000 0.467 176 G N 0.328 109.058 108.800 -0.117 0.000 2.667 176 G HA2 0.561 4.521 3.960 -0.000 0.000 0.298 176 G HA3 0.561 4.521 3.960 -0.000 0.000 0.298 176 G C -1.319 173.596 174.900 0.025 0.000 1.377 176 G CA -0.510 44.575 45.100 -0.025 0.000 0.964 176 G HN 0.389 nan 8.290 nan 0.000 0.493 177 V N -0.015 119.945 119.914 0.075 0.000 2.715 177 V HA 0.955 5.075 4.120 -0.000 0.000 0.310 177 V C 0.573 176.701 176.094 0.057 0.000 1.054 177 V CA 0.079 62.451 62.300 0.120 0.000 0.928 177 V CB 1.956 33.862 31.823 0.139 0.000 1.007 177 V HN 1.227 nan 8.190 nan 0.000 0.437 178 G N 1.462 110.303 108.800 0.068 0.000 2.690 178 G HA2 0.769 4.729 3.960 -0.000 0.000 0.293 178 G HA3 0.769 4.729 3.960 -0.000 0.000 0.293 178 G C -0.764 174.159 174.900 0.038 0.000 1.399 178 G CA -0.153 44.957 45.100 0.016 0.000 0.890 178 G HN 1.090 nan 8.290 nan 0.000 0.485 179 G N -0.917 107.888 108.800 0.010 0.000 2.680 179 G HA2 0.848 4.808 3.960 -0.000 0.000 0.290 179 G HA3 0.848 4.808 3.960 -0.000 0.000 0.290 179 G C -0.678 174.235 174.900 0.022 0.000 1.355 179 G CA 0.026 45.155 45.100 0.048 0.000 0.903 179 G HN 1.672 nan 8.290 nan 0.000 0.474 180 S N -0.981 114.762 115.700 0.072 0.000 2.533 180 S HA 0.731 5.201 4.470 -0.000 0.000 0.271 180 S C -1.279 173.398 174.600 0.128 0.000 1.143 180 S CA -0.741 57.486 58.200 0.044 0.000 0.891 180 S CB 1.672 64.869 63.200 -0.005 0.000 1.105 180 S HN 0.680 nan 8.310 nan 0.000 0.468 181 I N 2.639 123.268 120.570 0.098 0.000 2.534 181 I HA 0.417 4.587 4.170 -0.000 0.000 0.286 181 I C -0.577 175.633 176.117 0.154 0.000 1.094 181 I CA -0.413 60.986 61.300 0.165 0.000 1.055 181 I CB 2.405 40.478 38.000 0.122 0.000 1.225 181 I HN 0.956 nan 8.210 nan 0.000 0.435 182 T N 2.292 116.973 114.554 0.212 0.000 2.885 182 T HA 0.607 4.957 4.350 -0.000 0.000 0.285 182 T C -1.101 173.803 174.700 0.339 0.000 1.019 182 T CA -0.825 61.448 62.100 0.290 0.000 1.010 182 T CB 2.299 71.369 68.868 0.335 0.000 1.022 182 T HN 0.411 nan 8.240 nan 0.000 0.466 183 Y N 1.894 122.325 120.300 0.220 0.000 2.354 183 Y HA 0.513 5.063 4.550 -0.000 0.000 0.330 183 Y C -1.081 174.918 175.900 0.166 0.000 1.011 183 Y CA -0.877 57.320 58.100 0.161 0.000 1.099 183 Y CB 1.590 40.122 38.460 0.120 0.000 1.179 183 Y HN 0.797 nan 8.280 nan 0.000 0.442 184 N N 4.790 123.275 118.700 -0.359 0.000 2.314 184 N HA 0.364 5.104 4.740 -0.000 0.000 0.304 184 N C -2.274 173.032 175.510 -0.340 0.000 1.073 184 N CA -0.633 52.265 53.050 -0.254 0.000 0.822 184 N CB 2.601 40.991 38.487 -0.161 0.000 1.280 184 N HN 0.672 nan 8.380 nan 0.000 0.489 185 Y N 1.220 121.381 120.300 -0.231 0.000 2.282 185 Y HA 0.055 4.605 4.550 -0.000 0.000 0.317 185 Y C -0.786 175.154 175.900 0.066 0.000 1.236 185 Y CA -0.612 57.417 58.100 -0.118 0.000 1.134 185 Y CB 0.289 38.706 38.460 -0.072 0.000 1.267 185 Y HN 0.596 nan 8.280 nan 0.000 0.410 186 E N 4.079 124.094 120.200 -0.309 0.000 2.586 186 E HA -0.265 4.085 4.350 -0.000 0.000 0.259 186 E C 1.099 177.669 176.600 -0.050 0.000 1.107 186 E CA 1.658 57.906 56.400 -0.254 0.000 0.754 186 E CB -1.463 27.976 29.700 -0.435 0.000 1.335 186 E HN 1.633 nan 8.360 nan 0.000 0.411 187 G N -0.761 107.966 108.800 -0.122 0.000 2.527 187 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.218 187 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.218 187 G C 0.287 175.058 174.900 -0.216 0.000 1.177 187 G CA 0.017 44.949 45.100 -0.281 0.000 0.695 187 G HN 0.199 nan 8.290 nan 0.000 0.517 188 F N 2.048 122.011 119.950 0.021 0.000 2.553 188 F HA 0.455 4.982 4.527 -0.000 0.000 0.356 188 F C 1.262 177.065 175.800 0.006 0.000 1.142 188 F CA 1.314 59.359 58.000 0.075 0.000 1.322 188 F CB 1.189 40.264 39.000 0.125 0.000 1.126 188 F HN 0.473 nan 8.300 nan 0.000 0.599 189 G N 4.191 113.086 108.800 0.159 0.000 2.618 189 G HA2 0.518 4.478 3.960 -0.000 0.000 0.280 189 G HA3 0.518 4.478 3.960 -0.000 0.000 0.280 189 G C -1.108 173.968 174.900 0.293 0.000 1.458 189 G CA -0.559 44.593 45.100 0.086 0.000 1.224 189 G HN 0.548 nan 8.290 nan 0.000 0.576 190 I N 1.307 122.118 120.570 0.402 0.000 2.581 190 I HA 0.602 4.772 4.170 -0.000 0.000 0.288 190 I C 0.815 177.216 176.117 0.473 0.000 1.047 190 I CA -0.129 61.407 61.300 0.394 0.000 1.374 190 I CB 1.816 39.978 38.000 0.271 0.000 1.423 190 I HN 0.538 nan 8.210 nan 0.000 0.549 191 G N 4.485 113.470 108.800 0.309 0.000 2.608 191 G HA2 0.632 4.592 3.960 -0.000 0.000 0.285 191 G HA3 0.632 4.592 3.960 -0.000 0.000 0.285 191 G C -1.430 173.451 174.900 -0.032 0.000 1.407 191 G CA -0.287 44.854 45.100 0.069 0.000 1.276 191 G HN 0.785 nan 8.290 nan 0.000 0.587 192 A N 1.042 123.859 122.820 -0.006 0.000 2.340 192 A HA 1.057 5.377 4.320 -0.000 0.000 0.331 192 A C 0.059 177.617 177.584 -0.043 0.000 1.140 192 A CA -0.232 51.799 52.037 -0.010 0.000 0.801 192 A CB 1.850 20.865 19.000 0.026 0.000 1.234 192 A HN 2.358 nan 8.150 nan 0.000 0.469 193 A N 1.035 123.826 122.820 -0.048 0.000 2.512 193 A HA 0.594 4.914 4.320 -0.000 0.000 0.294 193 A C -1.475 176.053 177.584 -0.094 0.000 1.054 193 A CA -0.293 51.699 52.037 -0.075 0.000 0.756 193 A CB 1.014 19.939 19.000 -0.126 0.000 1.293 193 A HN 1.414 nan 8.150 nan 0.000 0.395 194 V N 2.276 122.117 119.914 -0.121 0.000 2.483 194 V HA 0.764 4.884 4.120 -0.000 0.000 0.297 194 V C 0.313 176.279 176.094 -0.214 0.000 1.027 194 V CA -0.087 62.064 62.300 -0.249 0.000 0.855 194 V CB 1.624 33.292 31.823 -0.258 0.000 0.995 194 V HN 1.271 nan 8.190 nan 0.000 0.424 195 S N 3.120 118.666 115.700 -0.256 0.000 2.648 195 S HA 0.886 5.356 4.470 -0.000 0.000 0.305 195 S C -0.509 173.965 174.600 -0.210 0.000 1.094 195 S CA -0.541 57.560 58.200 -0.165 0.000 0.983 195 S CB 2.162 65.305 63.200 -0.094 0.000 1.101 195 S HN 0.944 nan 8.310 nan 0.000 0.514 196 S N 1.102 116.726 115.700 -0.128 0.000 2.653 196 S HA 0.565 5.035 4.470 -0.000 0.000 0.268 196 S C -1.471 173.077 174.600 -0.087 0.000 1.153 196 S CA -0.520 57.605 58.200 -0.126 0.000 1.036 196 S CB 0.680 63.821 63.200 -0.099 0.000 1.103 196 S HN 0.782 nan 8.310 nan 0.000 0.466 197 S N 3.623 119.238 115.700 -0.142 0.000 2.503 197 S HA 0.505 4.975 4.470 -0.000 0.000 0.301 197 S C -0.375 174.142 174.600 -0.139 0.000 1.087 197 S CA -0.872 57.258 58.200 -0.117 0.000 1.042 197 S CB 1.693 64.828 63.200 -0.108 0.000 1.043 197 S HN 0.790 nan 8.310 nan 0.000 0.489 198 K N 1.388 121.753 120.400 -0.058 0.000 2.230 198 K HA 0.264 4.584 4.320 -0.000 0.000 0.253 198 K C -0.324 176.252 176.600 -0.039 0.000 1.008 198 K CA -0.047 56.216 56.287 -0.040 0.000 0.910 198 K CB 0.471 32.976 32.500 0.010 0.000 0.994 198 K HN 0.527 nan 8.250 nan 0.000 0.495 199 R N 0.481 120.960 120.500 -0.035 0.000 2.854 199 R HA 0.295 4.634 4.340 -0.000 0.000 0.271 199 R C -0.677 175.646 176.300 0.038 0.000 0.996 199 R CA -0.849 55.245 56.100 -0.010 0.000 0.961 199 R CB 2.023 32.248 30.300 -0.124 0.000 1.182 199 R HN 0.607 nan 8.270 nan 0.000 0.479 200 T N 0.197 114.791 114.554 0.067 0.000 2.882 200 T HA -0.006 4.344 4.350 -0.000 0.000 0.287 200 T C 0.607 175.386 174.700 0.131 0.000 1.014 200 T CA -0.478 61.689 62.100 0.111 0.000 1.049 200 T CB 0.730 69.666 68.868 0.114 0.000 1.001 200 T HN 0.653 nan 8.240 nan 0.000 0.525 201 W N 1.548 122.853 121.300 0.010 0.000 2.338 201 W HA -0.168 4.492 4.660 -0.000 0.000 0.304 201 W C 1.466 177.996 176.519 0.019 0.000 1.212 201 W CA 1.544 58.897 57.345 0.013 0.000 1.264 201 W CB -0.178 29.292 29.460 0.016 0.000 1.142 201 W HN 0.722 nan 8.180 nan 0.000 0.512 202 D N -0.351 120.240 120.400 0.318 0.000 2.117 202 D HA -0.240 4.400 4.640 -0.000 0.000 0.197 202 D C 2.089 178.399 176.300 0.017 0.000 0.987 202 D CA 1.729 55.832 54.000 0.172 0.000 0.829 202 D CB -0.771 40.140 40.800 0.185 0.000 0.961 202 D HN 0.389 nan 8.370 nan 0.000 0.460 203 Q N -0.038 119.784 119.800 0.037 0.000 2.135 203 Q HA -0.122 4.217 4.340 -0.000 0.000 0.204 203 Q C 1.597 177.600 176.000 0.005 0.000 0.981 203 Q CA 1.003 56.843 55.803 0.062 0.000 0.856 203 Q CB -0.030 28.672 28.738 -0.059 0.000 0.902 203 Q HN 0.292 nan 8.270 nan 0.000 0.425 204 N N 0.314 118.938 118.700 -0.127 0.000 2.333 204 N HA -0.043 4.697 4.740 -0.000 0.000 0.178 204 N C 0.474 175.858 175.510 -0.211 0.000 1.018 204 N CA 0.751 53.705 53.050 -0.159 0.000 0.882 204 N CB 0.073 38.431 38.487 -0.215 0.000 0.984 204 N HN 0.212 nan 8.380 nan 0.000 0.434 205 N N 0.107 118.578 118.700 -0.381 0.000 2.389 205 N HA 0.076 4.816 4.740 -0.000 0.000 0.260 205 N C 0.381 175.729 175.510 -0.271 0.000 1.191 205 N CA 0.167 52.921 53.050 -0.494 0.000 0.885 205 N CB 0.497 38.255 38.487 -1.214 0.000 1.162 205 N HN 0.267 nan 8.380 nan 0.000 0.512 206 T N -3.931 110.553 114.554 -0.116 0.000 3.069 206 T HA 0.253 4.603 4.350 -0.000 0.000 0.252 206 T C 1.333 176.023 174.700 -0.016 0.000 1.053 206 T CA 0.288 62.365 62.100 -0.039 0.000 0.964 206 T CB 0.326 69.179 68.868 -0.025 0.000 1.005 206 T HN 0.230 nan 8.240 nan 0.000 0.532 207 G N 1.488 110.277 108.800 -0.018 0.000 2.147 207 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.244 207 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.244 207 G C -0.090 174.844 174.900 0.055 0.000 1.005 207 G CA 0.156 45.264 45.100 0.013 0.000 0.713 207 G HN 0.620 nan 8.290 nan 0.000 0.515 208 L N 0.493 121.770 121.223 0.090 0.000 2.421 208 L HA 0.641 4.981 4.340 -0.000 0.000 0.263 208 L C 1.717 178.707 176.870 0.201 0.000 1.122 208 L CA -1.181 53.738 54.840 0.131 0.000 0.804 208 L CB 0.708 42.833 42.059 0.109 0.000 1.150 208 L HN 0.356 nan 8.230 nan 0.000 0.457 209 I N -1.242 119.453 120.570 0.208 0.000 3.004 209 I HA 0.446 4.616 4.170 -0.000 0.000 0.287 209 I C 1.032 177.352 176.117 0.339 0.000 1.144 209 I CA -0.241 61.199 61.300 0.233 0.000 1.353 209 I CB 0.250 38.380 38.000 0.217 0.000 1.417 209 I HN 0.760 nan 8.210 nan 0.000 0.602 210 G N 2.541 111.502 108.800 0.268 0.000 2.314 210 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.292 210 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.292 210 G C 0.068 175.105 174.900 0.229 0.000 1.059 210 G CA 0.325 45.590 45.100 0.275 0.000 0.982 210 G HN 1.269 nan 8.290 nan 0.000 0.505 211 T N -1.831 112.804 114.554 0.134 0.000 2.907 211 T HA 0.909 5.259 4.350 -0.000 0.000 0.284 211 T C 0.631 175.311 174.700 -0.034 0.000 1.004 211 T CA 0.215 62.326 62.100 0.019 0.000 1.063 211 T CB 2.991 71.876 68.868 0.027 0.000 0.992 211 T HN 1.772 nan 8.240 nan 0.000 0.483 212 G N 0.578 109.320 108.800 -0.097 0.000 2.554 212 G HA2 0.402 4.362 3.960 -0.000 0.000 0.306 212 G HA3 0.402 4.362 3.960 -0.000 0.000 0.306 212 G C -0.252 174.589 174.900 -0.098 0.000 1.320 212 G CA -0.193 44.860 45.100 -0.079 0.000 0.800 212 G HN 0.610 nan 8.290 nan 0.000 0.481 213 D N -0.725 119.634 120.400 -0.068 0.000 2.137 213 D HA 0.052 4.692 4.640 -0.000 0.000 0.202 213 D C 0.839 177.087 176.300 -0.086 0.000 0.970 213 D CA 0.989 54.954 54.000 -0.058 0.000 0.837 213 D CB 0.204 40.988 40.800 -0.027 0.000 0.981 213 D HN 0.343 nan 8.370 nan 0.000 0.475 214 R N -0.383 120.058 120.500 -0.097 0.000 2.628 214 R HA 0.724 5.064 4.340 -0.000 0.000 0.288 214 R C -1.006 175.171 176.300 -0.206 0.000 0.980 214 R CA -0.895 55.123 56.100 -0.136 0.000 0.891 214 R CB 2.308 32.568 30.300 -0.067 0.000 1.188 214 R HN -0.017 nan 8.270 nan 0.000 0.450 215 A N 2.658 125.243 122.820 -0.391 0.000 2.289 215 A HA 0.403 4.723 4.320 -0.000 0.000 0.298 215 A C -0.530 176.859 177.584 -0.325 0.000 1.208 215 A CA -0.375 51.366 52.037 -0.493 0.000 0.845 215 A CB 0.551 18.844 19.000 -1.178 0.000 1.125 215 A HN 0.747 nan 8.150 nan 0.000 0.517 216 E N 0.636 120.722 120.200 -0.189 0.000 2.317 216 E HA 0.602 4.952 4.350 -0.000 0.000 0.270 216 E C -0.871 175.590 176.600 -0.232 0.000 0.885 216 E CA -0.773 55.507 56.400 -0.201 0.000 0.760 216 E CB 2.382 32.012 29.700 -0.117 0.000 1.227 216 E HN 0.713 nan 8.360 nan 0.000 0.434 217 T N -0.739 113.626 114.554 -0.315 0.000 2.893 217 T HA 0.591 4.941 4.350 -0.000 0.000 0.293 217 T C -1.276 173.159 174.700 -0.442 0.000 1.027 217 T CA -0.613 61.350 62.100 -0.228 0.000 0.988 217 T CB 0.607 69.409 68.868 -0.111 0.000 1.043 217 T HN 0.359 nan 8.240 nan 0.000 0.461 218 Y N 0.673 120.910 120.300 -0.105 0.000 2.409 218 Y HA 0.650 5.200 4.550 -0.000 0.000 0.343 218 Y C 0.274 176.180 175.900 0.010 0.000 0.973 218 Y CA -0.746 57.319 58.100 -0.059 0.000 1.064 218 Y CB 2.996 41.409 38.460 -0.079 0.000 1.207 218 Y HN 0.818 nan 8.280 nan 0.000 0.452 219 T N 1.948 116.578 114.554 0.127 0.000 3.143 219 T HA 0.528 4.878 4.350 -0.000 0.000 0.312 219 T C -0.219 174.520 174.700 0.065 0.000 0.986 219 T CA -0.911 61.243 62.100 0.091 0.000 1.024 219 T CB 1.257 70.120 68.868 -0.007 0.000 1.030 219 T HN 0.898 nan 8.240 nan 0.000 0.448 220 G N 0.781 109.652 108.800 0.118 0.000 2.417 220 G HA2 0.775 4.735 3.960 -0.000 0.000 0.334 220 G HA3 0.775 4.735 3.960 -0.000 0.000 0.334 220 G C -0.437 174.520 174.900 0.094 0.000 1.150 220 G CA -0.916 44.241 45.100 0.095 0.000 0.923 220 G HN 0.946 nan 8.290 nan 0.000 0.485 221 G N -0.369 108.478 108.800 0.078 0.000 2.766 221 G HA2 0.568 4.528 3.960 -0.000 0.000 0.297 221 G HA3 0.568 4.528 3.960 -0.000 0.000 0.297 221 G C -1.367 173.750 174.900 0.362 0.000 1.431 221 G CA -0.629 44.550 45.100 0.131 0.000 1.042 221 G HN 0.666 nan 8.290 nan 0.000 0.542 222 L N 1.133 122.601 121.223 0.408 0.000 2.401 222 L HA 0.777 5.117 4.340 -0.000 0.000 0.266 222 L C -0.234 176.777 176.870 0.234 0.000 0.991 222 L CA -0.982 54.078 54.840 0.367 0.000 0.818 222 L CB 2.780 44.988 42.059 0.249 0.000 1.321 222 L HN 0.801 nan 8.230 nan 0.000 0.413 223 K N 1.394 121.798 120.400 0.006 0.000 2.532 223 K HA 0.586 4.906 4.320 -0.000 0.000 0.265 223 K C -1.943 174.476 176.600 -0.303 0.000 0.948 223 K CA -0.957 55.150 56.287 -0.299 0.000 0.842 223 K CB 2.468 34.575 32.500 -0.654 0.000 1.392 223 K HN 0.400 nan 8.250 nan 0.000 0.436 224 Y N 1.475 121.433 120.300 -0.570 0.000 2.346 224 Y HA 0.379 4.929 4.550 -0.000 0.000 0.332 224 Y C -1.707 173.877 175.900 -0.527 0.000 0.985 224 Y CA -0.855 56.865 58.100 -0.633 0.000 1.112 224 Y CB 2.023 40.044 38.460 -0.733 0.000 1.170 224 Y HN 0.843 nan 8.280 nan 0.000 0.447 225 D N 5.435 125.240 120.400 -0.992 0.000 2.400 225 D HA 0.651 5.291 4.640 -0.000 0.000 0.272 225 D C -1.467 174.396 176.300 -0.728 0.000 1.220 225 D CA 0.169 53.789 54.000 -0.633 0.000 0.897 225 D CB 0.492 41.111 40.800 -0.301 0.000 1.134 225 D HN 0.805 nan 8.370 nan 0.000 0.507 226 A N 2.128 124.409 122.820 -0.899 0.000 2.597 226 A HA 0.561 4.881 4.320 -0.000 0.000 0.292 226 A C -0.386 177.006 177.584 -0.321 0.000 1.057 226 A CA -0.831 50.864 52.037 -0.571 0.000 0.674 226 A CB 0.589 19.258 19.000 -0.552 0.000 1.278 226 A HN 0.227 nan 8.150 nan 0.000 0.416 227 N N 1.720 120.319 118.700 -0.167 0.000 2.738 227 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 227 N C 0.238 175.700 175.510 -0.080 0.000 1.047 227 N CA 1.353 54.365 53.050 -0.063 0.000 0.707 227 N CB -1.168 37.346 38.487 0.046 0.000 0.937 227 N HN 0.793 nan 8.380 nan 0.000 0.545 228 N N -2.491 116.084 118.700 -0.208 0.000 2.863 228 N HA -0.225 4.515 4.740 -0.000 0.000 0.245 228 N C -0.552 174.758 175.510 -0.333 0.000 1.001 228 N CA 1.472 54.287 53.050 -0.391 0.000 0.901 228 N CB -0.900 37.164 38.487 -0.704 0.000 1.124 228 N HN 0.647 nan 8.380 nan 0.000 0.582 229 I N 0.472 120.969 120.570 -0.123 0.000 2.441 229 I HA 0.244 4.414 4.170 -0.000 0.000 0.295 229 I C -0.477 175.623 176.117 -0.027 0.000 0.994 229 I CA -0.805 60.511 61.300 0.026 0.000 1.144 229 I CB 1.525 39.638 38.000 0.189 0.000 1.314 229 I HN -0.062 nan 8.210 nan 0.000 0.445 230 Y N 7.333 127.580 120.300 -0.088 0.000 2.426 230 Y HA 0.544 5.094 4.550 -0.000 0.000 0.325 230 Y C -1.349 174.541 175.900 -0.017 0.000 0.989 230 Y CA -0.580 57.450 58.100 -0.116 0.000 1.284 230 Y CB 0.861 39.241 38.460 -0.133 0.000 1.104 230 Y HN 0.340 nan 8.280 nan 0.000 0.481 231 L N 5.646 126.675 121.223 -0.324 0.000 2.307 231 L HA 0.945 5.285 4.340 -0.000 0.000 0.284 231 L C -0.559 176.045 176.870 -0.444 0.000 1.023 231 L CA -0.937 53.766 54.840 -0.227 0.000 0.810 231 L CB 1.567 43.596 42.059 -0.049 0.000 1.231 231 L HN 0.735 nan 8.230 nan 0.000 0.423 232 A N 2.785 125.431 122.820 -0.290 0.000 2.555 232 A HA 0.892 5.212 4.320 -0.000 0.000 0.297 232 A C -1.290 176.280 177.584 -0.024 0.000 1.060 232 A CA -0.135 51.786 52.037 -0.194 0.000 0.710 232 A CB 1.751 20.552 19.000 -0.332 0.000 1.282 232 A HN 0.802 nan 8.150 nan 0.000 0.399 233 A N 1.171 124.015 122.820 0.041 0.000 2.564 233 A HA 1.017 5.337 4.320 -0.000 0.000 0.288 233 A C -0.980 176.634 177.584 0.050 0.000 1.164 233 A CA -0.236 51.782 52.037 -0.032 0.000 0.712 233 A CB 1.721 20.744 19.000 0.040 0.000 1.303 233 A HN 2.191 nan 8.150 nan 0.000 0.418 234 Q N -1.036 118.731 119.800 -0.055 0.000 2.479 234 Q HA 0.574 4.914 4.340 -0.000 0.000 0.276 234 Q C -1.999 174.114 176.000 0.187 0.000 0.989 234 Q CA -0.447 55.411 55.803 0.092 0.000 0.864 234 Q CB 0.948 29.703 28.738 0.028 0.000 1.444 234 Q HN 0.791 nan 8.270 nan 0.000 0.388 235 Y N 1.009 121.415 120.300 0.178 0.000 2.335 235 Y HA 0.721 5.271 4.550 -0.000 0.000 0.338 235 Y C -0.965 175.011 175.900 0.125 0.000 0.977 235 Y CA -0.390 57.836 58.100 0.210 0.000 1.114 235 Y CB 2.258 40.835 38.460 0.195 0.000 1.182 235 Y HN 0.788 nan 8.280 nan 0.000 0.463 236 T N 5.971 120.633 114.554 0.179 0.000 2.906 236 T HA 0.200 4.549 4.350 -0.000 0.000 0.302 236 T C -1.096 173.723 174.700 0.199 0.000 1.002 236 T CA -0.631 61.589 62.100 0.200 0.000 0.988 236 T CB 1.045 69.991 68.868 0.130 0.000 0.972 236 T HN 0.613 nan 8.240 nan 0.000 0.447 237 Q N 2.472 122.456 119.800 0.307 0.000 2.256 237 Q HA 0.662 5.001 4.340 -0.000 0.000 0.257 237 Q C -0.499 175.586 176.000 0.142 0.000 0.936 237 Q CA -0.622 55.335 55.803 0.257 0.000 0.903 237 Q CB 1.004 29.922 28.738 0.301 0.000 1.263 237 Q HN 0.749 nan 8.270 nan 0.000 0.440 238 T N 0.451 115.080 114.554 0.125 0.000 2.893 238 T HA 0.481 4.831 4.350 -0.000 0.000 0.293 238 T C -1.071 173.749 174.700 0.201 0.000 1.027 238 T CA -0.588 61.556 62.100 0.073 0.000 0.988 238 T CB 0.618 69.565 68.868 0.132 0.000 1.043 238 T HN 0.499 nan 8.240 nan 0.000 0.461 239 Y N 1.930 122.297 120.300 0.112 0.000 2.342 239 Y HA 0.393 4.943 4.550 -0.000 0.000 0.338 239 Y C 0.926 176.833 175.900 0.010 0.000 0.965 239 Y CA -1.349 56.792 58.100 0.068 0.000 1.159 239 Y CB 1.022 39.518 38.460 0.059 0.000 1.157 239 Y HN 0.764 nan 8.280 nan 0.000 0.486 240 N N 1.393 120.210 118.700 0.194 0.000 2.725 240 N HA -0.247 4.493 4.740 -0.000 0.000 0.249 240 N C 0.323 175.811 175.510 -0.035 0.000 1.103 240 N CA 0.927 54.026 53.050 0.081 0.000 0.707 240 N CB -0.798 37.669 38.487 -0.035 0.000 1.043 240 N HN 0.834 nan 8.380 nan 0.000 0.553 241 A N -1.037 121.862 122.820 0.132 0.000 2.009 241 A HA 0.165 4.485 4.320 -0.000 0.000 0.197 241 A C 0.873 178.770 177.584 0.521 0.000 1.471 241 A CA 0.564 52.710 52.037 0.182 0.000 0.973 241 A CB 0.262 19.287 19.000 0.042 0.000 1.020 241 A HN 0.189 nan 8.150 nan 0.000 0.476 242 T N 1.832 116.632 114.554 0.410 0.000 2.870 242 T HA 0.312 4.662 4.350 -0.000 0.000 0.300 242 T C 0.274 175.210 174.700 0.395 0.000 0.989 242 T CA -0.147 62.168 62.100 0.358 0.000 1.139 242 T CB 0.564 69.571 68.868 0.232 0.000 0.920 242 T HN 0.451 nan 8.240 nan 0.000 0.537 243 R N 2.251 122.890 120.500 0.232 0.000 2.543 243 R HA 0.344 4.684 4.340 -0.000 0.000 0.277 243 R C -1.164 175.072 176.300 -0.108 0.000 1.074 243 R CA -0.240 55.820 56.100 -0.067 0.000 1.076 243 R CB 0.349 30.485 30.300 -0.273 0.000 0.993 243 R HN 0.431 nan 8.270 nan 0.000 0.459 244 V N 5.609 125.404 119.914 -0.199 0.000 2.320 244 V HA 0.331 4.451 4.120 -0.000 0.000 0.268 244 V C 0.842 176.749 176.094 -0.311 0.000 1.021 244 V CA 0.215 62.412 62.300 -0.172 0.000 0.813 244 V CB 0.328 32.139 31.823 -0.019 0.000 1.054 244 V HN 1.209 nan 8.190 nan 0.000 0.444 245 G N 4.599 113.183 108.800 -0.361 0.000 2.574 245 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.286 245 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.286 245 G C 1.035 175.683 174.900 -0.419 0.000 1.212 245 G CA 0.752 45.630 45.100 -0.369 0.000 0.979 245 G HN 1.396 nan 8.290 nan 0.000 0.557 246 S N -0.284 115.252 115.700 -0.273 0.000 2.535 246 S HA 0.364 4.834 4.470 -0.000 0.000 0.214 246 S C 2.345 176.941 174.600 -0.007 0.000 0.980 246 S CA 1.016 59.135 58.200 -0.134 0.000 0.907 246 S CB 0.229 63.391 63.200 -0.063 0.000 0.790 246 S HN 0.645 nan 8.310 nan 0.000 0.510 247 L N 1.247 122.414 121.223 -0.092 0.000 2.083 247 L HA 0.228 4.568 4.340 -0.000 0.000 0.209 247 L C 1.790 178.663 176.870 0.005 0.000 1.083 247 L CA 1.152 55.972 54.840 -0.033 0.000 0.752 247 L CB -0.742 41.267 42.059 -0.084 0.000 0.899 247 L HN 0.694 nan 8.230 nan 0.000 0.433 248 G N -2.807 105.960 108.800 -0.055 0.000 2.384 248 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.113 248 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.113 248 G C -1.716 173.023 174.900 -0.267 0.000 1.224 248 G CA -0.691 44.319 45.100 -0.151 0.000 1.126 248 G HN -0.048 nan 8.290 nan 0.000 0.461 249 W N 0.428 121.861 121.300 0.221 0.000 2.804 249 W HA 0.725 5.385 4.660 -0.000 0.000 0.352 249 W C 0.154 176.766 176.519 0.154 0.000 1.153 249 W CA -0.222 57.241 57.345 0.197 0.000 1.119 249 W CB 1.967 31.563 29.460 0.227 0.000 1.448 249 W HN 0.900 nan 8.180 nan 0.000 0.600 250 A N 1.778 124.837 122.820 0.398 0.000 2.252 250 A HA 0.206 4.526 4.320 -0.000 0.000 0.309 250 A C 0.914 178.648 177.584 0.251 0.000 1.285 250 A CA -0.429 51.771 52.037 0.271 0.000 0.900 250 A CB 0.192 19.325 19.000 0.223 0.000 1.157 250 A HN 0.658 nan 8.150 nan 0.000 0.536 251 N N 1.099 119.919 118.700 0.199 0.000 2.096 251 N HA -0.155 4.585 4.740 -0.000 0.000 0.195 251 N C 0.425 176.029 175.510 0.158 0.000 1.017 251 N CA 1.583 54.722 53.050 0.148 0.000 0.870 251 N CB 0.004 38.549 38.487 0.097 0.000 1.024 251 N HN 0.762 nan 8.380 nan 0.000 0.434 252 K N -0.641 119.859 120.400 0.166 0.000 2.525 252 K HA 0.560 4.879 4.320 -0.000 0.000 0.254 252 K C -1.982 174.729 176.600 0.184 0.000 0.934 252 K CA -0.510 55.904 56.287 0.213 0.000 0.802 252 K CB 2.129 34.726 32.500 0.162 0.000 1.295 252 K HN -0.038 nan 8.250 nan 0.000 0.433 253 A N 3.581 126.521 122.820 0.201 0.000 2.398 253 A HA 0.416 4.736 4.320 -0.000 0.000 0.301 253 A C -1.442 176.223 177.584 0.135 0.000 1.041 253 A CA -0.684 51.443 52.037 0.151 0.000 0.711 253 A CB 1.546 20.638 19.000 0.153 0.000 1.240 253 A HN 0.694 nan 8.150 nan 0.000 0.420 254 Q N 2.229 122.080 119.800 0.086 0.000 2.431 254 Q HA 0.301 4.641 4.340 -0.000 0.000 0.249 254 Q C -0.991 174.942 176.000 -0.112 0.000 1.025 254 Q CA -0.629 55.187 55.803 0.021 0.000 0.835 254 Q CB 1.146 29.928 28.738 0.073 0.000 1.207 254 Q HN 0.687 nan 8.270 nan 0.000 0.490 255 N N 2.477 121.075 118.700 -0.170 0.000 2.399 255 N HA 0.512 5.252 4.740 -0.000 0.000 0.295 255 N C -1.336 174.041 175.510 -0.221 0.000 1.048 255 N CA -0.284 52.679 53.050 -0.145 0.000 0.886 255 N CB 1.432 39.891 38.487 -0.046 0.000 1.185 255 N HN 0.443 nan 8.380 nan 0.000 0.487 256 F N 0.554 120.305 119.950 -0.331 0.000 2.588 256 F HA 0.363 4.890 4.527 -0.000 0.000 0.318 256 F C -1.139 174.500 175.800 -0.268 0.000 1.155 256 F CA -0.602 57.220 58.000 -0.296 0.000 0.967 256 F CB 1.491 40.311 39.000 -0.300 0.000 1.236 256 F HN 0.358 nan 8.300 nan 0.000 0.455 257 E N 4.484 124.093 120.200 -0.985 0.000 2.266 257 E HA 0.824 5.174 4.350 -0.000 0.000 0.268 257 E C -1.447 174.575 176.600 -0.963 0.000 0.879 257 E CA -1.417 54.501 56.400 -0.804 0.000 0.762 257 E CB 2.263 31.731 29.700 -0.386 0.000 1.199 257 E HN 0.732 nan 8.360 nan 0.000 0.422 258 A N 1.791 124.276 122.820 -0.558 0.000 2.455 258 A HA 0.684 5.004 4.320 -0.000 0.000 0.300 258 A C -1.254 176.323 177.584 -0.013 0.000 1.040 258 A CA -0.616 51.280 52.037 -0.236 0.000 0.697 258 A CB 1.370 20.355 19.000 -0.026 0.000 1.265 258 A HN 0.303 nan 8.150 nan 0.000 0.407 259 V N 0.209 120.146 119.914 0.040 0.000 2.841 259 V HA 0.876 4.996 4.120 -0.000 0.000 0.310 259 V C -0.004 176.169 176.094 0.131 0.000 1.090 259 V CA -0.282 62.088 62.300 0.117 0.000 0.930 259 V CB 1.798 33.709 31.823 0.148 0.000 1.014 259 V HN 1.680 nan 8.190 nan 0.000 0.425 260 A N 3.648 126.574 122.820 0.176 0.000 2.385 260 A HA 0.833 5.153 4.320 -0.000 0.000 0.290 260 A C -0.847 176.870 177.584 0.221 0.000 1.094 260 A CA -0.538 51.597 52.037 0.164 0.000 0.729 260 A CB 1.402 20.477 19.000 0.126 0.000 1.194 260 A HN 0.810 nan 8.150 nan 0.000 0.442 261 Q N 0.681 120.618 119.800 0.229 0.000 2.375 261 Q HA 0.546 4.886 4.340 -0.000 0.000 0.271 261 Q C -1.909 174.206 176.000 0.192 0.000 1.074 261 Q CA -0.651 55.293 55.803 0.235 0.000 0.808 261 Q CB 3.045 31.916 28.738 0.221 0.000 1.327 261 Q HN 0.730 nan 8.270 nan 0.000 0.441 262 Y N 1.180 121.476 120.300 -0.007 0.000 2.391 262 Y HA 0.318 4.868 4.550 -0.000 0.000 0.341 262 Y C -1.099 174.655 175.900 -0.244 0.000 0.965 262 Y CA -0.801 57.195 58.100 -0.173 0.000 1.067 262 Y CB 1.972 40.247 38.460 -0.309 0.000 1.199 262 Y HN 0.516 nan 8.280 nan 0.000 0.450 263 Q N 5.399 124.648 119.800 -0.917 0.000 2.398 263 Q HA 0.374 4.714 4.340 -0.000 0.000 0.251 263 Q C -1.843 173.642 176.000 -0.859 0.000 0.999 263 Q CA -0.195 55.220 55.803 -0.646 0.000 0.874 263 Q CB 0.041 28.501 28.738 -0.463 0.000 1.215 263 Q HN 0.553 nan 8.270 nan 0.000 0.470 264 F N 1.964 121.672 119.950 -0.402 0.000 2.418 264 F HA 0.116 4.643 4.527 -0.000 0.000 0.341 264 F C 1.259 176.764 175.800 -0.490 0.000 1.120 264 F CA -0.080 57.680 58.000 -0.401 0.000 1.232 264 F CB 0.793 39.428 39.000 -0.609 0.000 1.175 264 F HN 0.593 nan 8.300 nan 0.000 0.569 265 D N 1.320 121.669 120.400 -0.084 0.000 2.144 265 D HA -0.181 4.459 4.640 -0.000 0.000 0.200 265 D C 2.026 178.308 176.300 -0.030 0.000 0.978 265 D CA 1.546 55.519 54.000 -0.046 0.000 0.833 265 D CB -0.325 40.524 40.800 0.081 0.000 0.961 265 D HN 0.516 nan 8.370 nan 0.000 0.470 266 F N -1.511 118.510 119.950 0.119 0.000 2.293 266 F HA 0.229 4.756 4.527 -0.000 0.000 0.300 266 F C 1.735 177.551 175.800 0.027 0.000 1.086 266 F CA 1.073 59.131 58.000 0.097 0.000 1.375 266 F CB -0.334 38.744 39.000 0.131 0.000 1.045 266 F HN 0.006 nan 8.300 nan 0.000 0.516 267 G N 0.030 108.603 108.800 -0.379 0.000 3.655 267 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.219 267 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.219 267 G C -0.516 174.177 174.900 -0.346 0.000 0.933 267 G CA -0.157 44.663 45.100 -0.467 0.000 0.856 267 G HN 0.291 nan 8.290 nan 0.000 0.523 268 L N 2.034 123.101 121.223 -0.260 0.000 2.380 268 L HA 0.757 5.097 4.340 -0.000 0.000 0.273 268 L C 0.541 177.512 176.870 0.169 0.000 1.138 268 L CA -0.184 54.719 54.840 0.105 0.000 0.832 268 L CB 0.837 43.062 42.059 0.277 0.000 1.124 268 L HN 0.212 nan 8.230 nan 0.000 0.454 269 R N 5.762 126.394 120.500 0.221 0.000 2.629 269 R HA 0.437 4.777 4.340 -0.000 0.000 0.275 269 R C -2.672 173.807 176.300 0.299 0.000 1.719 269 R CA -1.607 54.635 56.100 0.236 0.000 1.472 269 R CB 0.880 31.346 30.300 0.277 0.000 1.237 269 R HN 0.464 nan 8.270 nan 0.000 0.589 270 P HA 0.177 nan 4.420 nan 0.000 0.272 270 P C -1.022 176.427 177.300 0.248 0.000 1.230 270 P CA 0.001 63.217 63.100 0.193 0.000 0.788 270 P CB 0.400 32.222 31.700 0.203 0.000 0.949 271 F N 0.080 120.120 119.950 0.151 0.000 2.626 271 F HA 0.776 5.303 4.527 -0.000 0.000 0.311 271 F C -1.571 174.308 175.800 0.131 0.000 1.088 271 F CA -1.508 56.573 58.000 0.135 0.000 0.949 271 F CB 1.265 40.338 39.000 0.122 0.000 1.322 271 F HN 0.082 nan 8.300 nan 0.000 0.461 272 L N 2.575 123.998 121.223 0.335 0.000 2.563 272 L HA 0.843 5.183 4.340 -0.000 0.000 0.259 272 L C -1.159 175.871 176.870 0.267 0.000 1.034 272 L CA -0.734 54.243 54.840 0.228 0.000 0.899 272 L CB 0.578 42.709 42.059 0.121 0.000 1.159 272 L HN 1.091 nan 8.230 nan 0.000 0.456 273 A N 3.341 126.358 122.820 0.327 0.000 2.281 273 A HA 0.851 5.171 4.320 -0.000 0.000 0.329 273 A C -1.782 175.942 177.584 0.233 0.000 1.122 273 A CA -0.424 51.755 52.037 0.238 0.000 0.850 273 A CB 1.106 20.227 19.000 0.201 0.000 1.207 273 A HN 0.777 nan 8.150 nan 0.000 0.495 274 Y N 0.037 120.321 120.300 -0.026 0.000 2.441 274 Y HA 0.628 5.178 4.550 -0.000 0.000 0.334 274 Y C -1.966 173.818 175.900 -0.194 0.000 1.061 274 Y CA -1.180 56.875 58.100 -0.075 0.000 1.032 274 Y CB 1.135 39.617 38.460 0.038 0.000 1.266 274 Y HN 0.609 nan 8.280 nan 0.000 0.441 275 L N 4.815 125.535 121.223 -0.838 0.000 2.309 275 L HA 0.736 5.076 4.340 -0.000 0.000 0.261 275 L C -1.024 175.351 176.870 -0.825 0.000 1.021 275 L CA -0.665 53.666 54.840 -0.848 0.000 0.823 275 L CB 2.410 43.957 42.059 -0.853 0.000 1.366 275 L HN 0.717 nan 8.230 nan 0.000 0.423 276 Q N 0.224 119.736 119.800 -0.480 0.000 2.403 276 Q HA 0.497 4.837 4.340 -0.000 0.000 0.267 276 Q C -1.768 174.154 176.000 -0.130 0.000 0.991 276 Q CA -0.292 55.361 55.803 -0.250 0.000 0.906 276 Q CB 1.974 30.594 28.738 -0.197 0.000 1.422 276 Q HN 0.496 nan 8.270 nan 0.000 0.400 277 S N 3.537 119.206 115.700 -0.051 0.000 2.293 277 S HA 0.328 4.798 4.470 -0.000 0.000 0.154 277 S C -1.286 173.333 174.600 0.032 0.000 1.602 277 S CA -0.541 57.652 58.200 -0.012 0.000 1.260 277 S CB 0.284 63.485 63.200 0.002 0.000 1.270 277 S HN 0.455 nan 8.310 nan 0.000 0.416 278 K N 2.010 122.424 120.400 0.022 0.000 2.378 278 K HA 0.276 4.596 4.320 -0.000 0.000 0.288 278 K C 0.585 177.216 176.600 0.051 0.000 1.057 278 K CA -0.132 56.178 56.287 0.038 0.000 0.971 278 K CB 0.823 33.342 32.500 0.031 0.000 0.975 278 K HN 0.564 nan 8.250 nan 0.000 0.475 279 G N 4.050 112.879 108.800 0.048 0.000 2.356 279 G HA2 0.134 4.094 3.960 -0.000 0.000 0.312 279 G HA3 0.134 4.094 3.960 -0.000 0.000 0.312 279 G C -0.218 174.690 174.900 0.013 0.000 1.096 279 G CA -0.587 44.545 45.100 0.054 0.000 0.950 279 G HN 0.326 nan 8.290 nan 0.000 0.428 280 K N 1.903 122.330 120.400 0.045 0.000 2.118 280 K HA 0.171 4.491 4.320 -0.000 0.000 0.264 280 K C 0.555 177.172 176.600 0.028 0.000 1.000 280 K CA -1.099 55.206 56.287 0.031 0.000 0.929 280 K CB 0.724 33.254 32.500 0.050 0.000 1.021 280 K HN 0.507 nan 8.250 nan 0.000 0.463 281 N N 2.225 120.932 118.700 0.013 0.000 3.044 281 N HA -0.207 4.533 4.740 -0.000 0.000 0.308 281 N C 0.556 176.091 175.510 0.042 0.000 1.097 281 N CA 0.245 53.305 53.050 0.017 0.000 0.828 281 N CB -0.295 38.200 38.487 0.013 0.000 0.968 281 N HN 0.462 nan 8.380 nan 0.000 0.623 282 L N 1.210 122.464 121.223 0.051 0.000 2.240 282 L HA 0.108 4.448 4.340 -0.000 0.000 0.211 282 L C 1.632 178.584 176.870 0.137 0.000 1.106 282 L CA 0.654 55.555 54.840 0.101 0.000 0.793 282 L CB -0.700 41.418 42.059 0.098 0.000 0.927 282 L HN 0.706 nan 8.230 nan 0.000 0.446 283 G N 0.115 108.991 108.800 0.127 0.000 2.756 283 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.678 283 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.678 283 G C 0.240 175.248 174.900 0.180 0.000 1.349 283 G CA -0.080 45.091 45.100 0.118 0.000 0.847 283 G HN 0.371 nan 8.290 nan 0.000 0.548 284 R N -1.011 119.552 120.500 0.104 0.000 3.532 284 R HA -0.018 4.322 4.340 -0.000 0.000 0.284 284 R C 1.211 177.450 176.300 -0.102 0.000 1.140 284 R CA 2.033 58.177 56.100 0.074 0.000 0.768 284 R CB -1.586 28.830 30.300 0.192 0.000 1.252 284 R HN 2.949 nan 8.270 nan 0.000 0.454 285 G N -1.121 107.601 108.800 -0.129 0.000 2.289 285 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.280 285 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.280 285 G C -0.232 174.374 174.900 -0.490 0.000 1.089 285 G CA 0.478 45.414 45.100 -0.273 0.000 0.939 285 G HN 0.509 nan 8.290 nan 0.000 0.499 286 Y N -1.001 119.297 120.300 -0.003 0.000 3.087 286 Y HA 0.217 4.767 4.550 -0.000 0.000 0.227 286 Y C 1.497 177.315 175.900 -0.136 0.000 1.015 286 Y CA 0.521 58.582 58.100 -0.066 0.000 1.399 286 Y CB 0.114 38.528 38.460 -0.076 0.000 1.483 286 Y HN 0.357 nan 8.280 nan 0.000 0.420 287 D N 0.137 120.572 120.400 0.059 0.000 3.455 287 D HA -0.213 4.427 4.640 -0.000 0.000 0.216 287 D C -1.079 175.169 176.300 -0.087 0.000 1.510 287 D CA 1.254 55.247 54.000 -0.011 0.000 1.128 287 D CB -1.028 39.764 40.800 -0.013 0.000 0.680 287 D HN 0.177 nan 8.370 nan 0.000 0.828 288 D N 2.428 122.785 120.400 -0.071 0.000 2.398 288 D HA 0.255 4.895 4.640 -0.000 0.000 0.250 288 D C 0.150 176.368 176.300 -0.137 0.000 1.287 288 D CA 0.733 54.684 54.000 -0.082 0.000 0.992 288 D CB 0.164 40.944 40.800 -0.033 0.000 1.071 288 D HN 0.098 nan 8.370 nan 0.000 0.514 289 E N 1.250 121.289 120.200 -0.269 0.000 2.299 289 E HA 0.297 4.647 4.350 -0.000 0.000 0.265 289 E C -0.723 175.790 176.600 -0.144 0.000 0.911 289 E CA -0.855 55.344 56.400 -0.334 0.000 0.789 289 E CB 1.574 30.692 29.700 -0.971 0.000 1.246 289 E HN 0.166 nan 8.360 nan 0.000 0.427 290 D N 1.302 121.720 120.400 0.030 0.000 2.277 290 D HA 0.209 4.849 4.640 -0.000 0.000 0.249 290 D C 1.079 177.545 176.300 0.276 0.000 1.134 290 D CA -0.106 53.969 54.000 0.124 0.000 0.863 290 D CB 0.980 41.847 40.800 0.111 0.000 1.143 290 D HN 0.309 nan 8.370 nan 0.000 0.458 291 I N 1.308 122.015 120.570 0.229 0.000 2.584 291 I HA -0.001 4.169 4.170 -0.000 0.000 0.255 291 I C 0.287 176.461 176.117 0.094 0.000 1.145 291 I CA 0.619 62.042 61.300 0.205 0.000 1.462 291 I CB 0.134 38.222 38.000 0.147 0.000 1.102 291 I HN 0.191 nan 8.210 nan 0.000 0.433 292 L N 0.164 121.438 121.223 0.086 0.000 2.612 292 L HA 0.471 4.811 4.340 -0.000 0.000 0.256 292 L C -1.267 175.648 176.870 0.074 0.000 0.949 292 L CA -0.493 54.398 54.840 0.085 0.000 0.867 292 L CB 1.818 43.922 42.059 0.074 0.000 1.417 292 L HN -0.051 nan 8.230 nan 0.000 0.414 293 K N 3.635 124.117 120.400 0.137 0.000 2.592 293 K HA 0.550 4.870 4.320 -0.000 0.000 0.265 293 K C -2.301 174.449 176.600 0.250 0.000 1.006 293 K CA -0.540 55.812 56.287 0.109 0.000 0.907 293 K CB 1.174 33.754 32.500 0.134 0.000 1.309 293 K HN 0.616 nan 8.250 nan 0.000 0.452 294 Y N -0.325 120.025 120.300 0.083 0.000 2.558 294 Y HA 0.561 5.111 4.550 -0.000 0.000 0.333 294 Y C -1.590 174.447 175.900 0.229 0.000 1.125 294 Y CA -1.267 56.906 58.100 0.122 0.000 1.039 294 Y CB 0.951 39.430 38.460 0.032 0.000 1.331 294 Y HN 0.008 nan 8.280 nan 0.000 0.456 295 V N 2.500 122.628 119.914 0.356 0.000 2.567 295 V HA 0.372 4.492 4.120 -0.000 0.000 0.289 295 V C -0.946 175.361 176.094 0.355 0.000 1.049 295 V CA -0.021 62.460 62.300 0.301 0.000 0.969 295 V CB 1.512 33.440 31.823 0.175 0.000 0.995 295 V HN 0.833 nan 8.190 nan 0.000 0.471 296 D N 3.007 123.614 120.400 0.345 0.000 2.620 296 D HA 0.599 5.239 4.640 -0.000 0.000 0.252 296 D C -1.311 175.240 176.300 0.417 0.000 1.207 296 D CA -0.098 54.170 54.000 0.446 0.000 0.884 296 D CB 1.755 42.891 40.800 0.560 0.000 1.262 296 D HN 0.259 nan 8.370 nan 0.000 0.552 297 V N 3.066 123.147 119.914 0.279 0.000 2.686 297 V HA 0.980 5.100 4.120 -0.000 0.000 0.306 297 V C 0.703 176.660 176.094 -0.229 0.000 1.065 297 V CA -0.262 62.013 62.300 -0.043 0.000 0.894 297 V CB 1.317 33.092 31.823 -0.079 0.000 1.004 297 V HN 0.698 nan 8.190 nan 0.000 0.424 298 G N 2.492 110.645 108.800 -1.077 0.000 2.726 298 G HA2 0.941 4.901 3.960 -0.000 0.000 0.198 298 G HA3 0.941 4.901 3.960 -0.000 0.000 0.198 298 G C -1.137 173.301 174.900 -0.770 0.000 1.195 298 G CA 0.087 44.800 45.100 -0.645 0.000 0.951 298 G HN 1.592 nan 8.290 nan 0.000 0.532 299 A N -0.929 121.814 122.820 -0.129 0.000 2.572 299 A HA 0.658 4.978 4.320 -0.000 0.000 0.303 299 A C -0.678 177.108 177.584 0.337 0.000 1.059 299 A CA -0.101 52.028 52.037 0.152 0.000 0.788 299 A CB 0.729 19.788 19.000 0.099 0.000 1.282 299 A HN 1.130 nan 8.150 nan 0.000 0.397 300 T N 1.867 116.596 114.554 0.291 0.000 2.845 300 T HA 0.519 4.869 4.350 -0.000 0.000 0.288 300 T C -0.638 174.005 174.700 -0.094 0.000 0.980 300 T CA 0.128 62.253 62.100 0.042 0.000 1.071 300 T CB 0.674 69.374 68.868 -0.278 0.000 0.941 300 T HN 0.613 nan 8.240 nan 0.000 0.487 301 Y N 2.545 122.702 120.300 -0.238 0.000 2.341 301 Y HA 0.481 5.031 4.550 -0.000 0.000 0.337 301 Y C -1.436 174.201 175.900 -0.439 0.000 1.014 301 Y CA -1.457 56.478 58.100 -0.275 0.000 1.111 301 Y CB 0.841 39.162 38.460 -0.232 0.000 1.194 301 Y HN 0.604 nan 8.280 nan 0.000 0.462 302 Y N 7.429 127.272 120.300 -0.763 0.000 2.478 302 Y HA 0.251 4.801 4.550 -0.000 0.000 0.329 302 Y C 0.208 175.714 175.900 -0.657 0.000 0.967 302 Y CA -0.831 56.992 58.100 -0.461 0.000 1.255 302 Y CB 0.242 38.534 38.460 -0.281 0.000 1.103 302 Y HN 0.688 nan 8.280 nan 0.000 0.497 303 F N 1.269 121.185 119.950 -0.056 0.000 2.069 303 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 303 F C 0.892 176.729 175.800 0.061 0.000 1.113 303 F CA 1.521 59.588 58.000 0.111 0.000 1.214 303 F CB -0.180 38.953 39.000 0.222 0.000 0.978 303 F HN 0.569 nan 8.300 nan 0.000 0.474 304 N N -2.588 116.285 118.700 0.288 0.000 3.517 304 N HA 0.169 4.909 4.740 -0.000 0.000 0.329 304 N C -0.450 175.131 175.510 0.118 0.000 1.569 304 N CA -0.860 52.278 53.050 0.147 0.000 0.852 304 N CB 0.393 38.959 38.487 0.133 0.000 1.955 304 N HN -0.242 nan 8.380 nan 0.000 0.555 305 K N -0.827 119.598 120.400 0.040 0.000 2.525 305 K HA 0.197 4.517 4.320 -0.000 0.000 0.192 305 K C 0.173 176.773 176.600 -0.000 0.000 1.029 305 K CA 0.829 57.115 56.287 -0.001 0.000 1.029 305 K CB -0.368 32.106 32.500 -0.044 0.000 0.814 305 K HN 0.396 nan 8.250 nan 0.000 0.503 306 N N -0.747 117.963 118.700 0.017 0.000 2.463 306 N HA 0.070 4.810 4.740 -0.000 0.000 0.183 306 N C -0.285 175.179 175.510 -0.078 0.000 1.064 306 N CA 0.004 53.000 53.050 -0.091 0.000 0.879 306 N CB 0.431 38.880 38.487 -0.064 0.000 1.148 306 N HN -0.041 nan 8.380 nan 0.000 0.451 307 M N 0.774 120.437 119.600 0.104 0.000 2.456 307 M HA 0.484 4.964 4.480 -0.000 0.000 0.324 307 M C -1.312 175.217 176.300 0.381 0.000 1.124 307 M CA -0.790 54.614 55.300 0.172 0.000 0.959 307 M CB 1.674 34.305 32.600 0.051 0.000 1.692 307 M HN 0.083 nan 8.290 nan 0.000 0.444 308 S N 1.714 117.649 115.700 0.392 0.000 2.596 308 S HA 0.898 5.368 4.470 -0.000 0.000 0.270 308 S C -0.951 173.916 174.600 0.445 0.000 1.155 308 S CA -0.710 57.760 58.200 0.449 0.000 0.827 308 S CB 1.940 65.271 63.200 0.219 0.000 1.130 308 S HN 0.835 nan 8.310 nan 0.000 0.467 309 T N 1.045 115.841 114.554 0.403 0.000 2.894 309 T HA 0.750 5.100 4.350 -0.000 0.000 0.309 309 T C -2.183 172.670 174.700 0.255 0.000 1.208 309 T CA -0.551 61.728 62.100 0.299 0.000 1.016 309 T CB 1.195 70.292 68.868 0.382 0.000 1.192 309 T HN 1.311 nan 8.240 nan 0.000 0.491 310 Y N 0.183 120.557 120.300 0.122 0.000 2.624 310 Y HA 0.809 5.359 4.550 -0.000 0.000 0.334 310 Y C -2.000 173.994 175.900 0.157 0.000 1.155 310 Y CA -1.191 56.983 58.100 0.125 0.000 1.046 310 Y CB 0.565 39.091 38.460 0.110 0.000 1.316 310 Y HN 0.423 nan 8.280 nan 0.000 0.457 311 V N 2.201 122.355 119.914 0.400 0.000 2.628 311 V HA 0.542 4.662 4.120 -0.000 0.000 0.306 311 V C -1.360 175.061 176.094 0.545 0.000 1.045 311 V CA -0.389 62.129 62.300 0.363 0.000 0.905 311 V CB 1.773 33.743 31.823 0.244 0.000 0.997 311 V HN 0.830 nan 8.190 nan 0.000 0.436 312 D N 2.416 123.141 120.400 0.541 0.000 2.736 312 D HA 0.259 4.899 4.640 -0.000 0.000 0.243 312 D C -1.800 174.856 176.300 0.594 0.000 1.304 312 D CA -0.315 54.080 54.000 0.660 0.000 0.934 312 D CB 1.391 42.540 40.800 0.581 0.000 1.382 312 D HN 0.381 nan 8.370 nan 0.000 0.571 313 Y N 3.339 123.872 120.300 0.390 0.000 2.478 313 Y HA 0.295 4.845 4.550 -0.000 0.000 0.329 313 Y C -0.109 175.869 175.900 0.131 0.000 0.967 313 Y CA -0.909 57.319 58.100 0.213 0.000 1.255 313 Y CB 0.825 39.364 38.460 0.130 0.000 1.103 313 Y HN 0.205 nan 8.280 nan 0.000 0.497 314 K N 7.104 127.531 120.400 0.045 0.000 2.310 314 K HA 0.321 4.641 4.320 -0.000 0.000 0.290 314 K C -0.873 175.766 176.600 0.065 0.000 1.077 314 K CA -0.114 56.059 56.287 -0.189 0.000 0.922 314 K CB 0.108 31.994 32.500 -1.023 0.000 1.057 314 K HN 0.738 nan 8.250 nan 0.000 0.479 315 I N 4.660 125.370 120.570 0.235 0.000 2.276 315 I HA 0.034 4.203 4.170 -0.000 0.000 0.290 315 I C 0.027 176.247 176.117 0.172 0.000 1.109 315 I CA -0.694 60.738 61.300 0.220 0.000 1.229 315 I CB 0.385 38.485 38.000 0.168 0.000 1.452 315 I HN 0.533 nan 8.210 nan 0.000 0.497 316 N N 6.326 125.071 118.700 0.075 0.000 2.405 316 N HA 0.138 4.878 4.740 -0.000 0.000 0.260 316 N C 0.689 176.262 175.510 0.106 0.000 1.152 316 N CA 0.125 53.219 53.050 0.073 0.000 0.948 316 N CB 0.927 39.389 38.487 -0.041 0.000 1.111 316 N HN 0.547 nan 8.380 nan 0.000 0.485 317 L N 2.936 124.253 121.223 0.156 0.000 2.599 317 L HA 0.129 4.469 4.340 -0.000 0.000 0.230 317 L C 0.585 177.519 176.870 0.107 0.000 1.141 317 L CA 0.056 54.974 54.840 0.129 0.000 0.877 317 L CB -0.150 42.003 42.059 0.156 0.000 1.009 317 L HN 0.372 nan 8.230 nan 0.000 0.447 318 L N 0.745 122.029 121.223 0.102 0.000 2.453 318 L HA 0.024 4.364 4.340 -0.000 0.000 0.272 318 L C -0.099 176.812 176.870 0.068 0.000 1.182 318 L CA -0.007 54.886 54.840 0.087 0.000 0.858 318 L CB 0.244 42.348 42.059 0.074 0.000 1.120 318 L HN 0.027 nan 8.230 nan 0.000 0.474 319 D N 1.290 121.734 120.400 0.074 0.000 2.283 319 D HA 0.142 4.782 4.640 -0.000 0.000 0.248 319 D C -0.500 175.837 176.300 0.061 0.000 1.072 319 D CA -0.289 53.748 54.000 0.063 0.000 0.929 319 D CB 0.983 41.822 40.800 0.065 0.000 1.182 319 D HN 0.382 nan 8.370 nan 0.000 0.433 320 D N -0.006 120.423 120.400 0.048 0.000 2.317 320 D HA 0.351 4.991 4.640 -0.000 0.000 0.252 320 D C -0.621 175.713 176.300 0.058 0.000 1.174 320 D CA -0.167 53.858 54.000 0.043 0.000 0.866 320 D CB 0.127 40.944 40.800 0.029 0.000 1.127 320 D HN 0.470 nan 8.370 nan 0.000 0.467 321 N N 0.445 119.189 118.700 0.073 0.000 3.106 321 N HA 0.206 4.946 4.740 -0.000 0.000 0.253 321 N C 0.432 176.014 175.510 0.120 0.000 1.506 321 N CA -0.961 52.148 53.050 0.098 0.000 0.876 321 N CB 0.908 39.470 38.487 0.124 0.000 1.452 321 N HN 0.042 nan 8.380 nan 0.000 0.542 322 R N -0.717 119.874 120.500 0.152 0.000 2.096 322 R HA -0.147 4.193 4.340 -0.000 0.000 0.240 322 R C 1.347 177.804 176.300 0.263 0.000 1.139 322 R CA 1.788 57.998 56.100 0.185 0.000 0.952 322 R CB -0.614 29.801 30.300 0.192 0.000 0.854 322 R HN 0.653 nan 8.270 nan 0.000 0.436 323 F N 1.470 121.527 119.950 0.179 0.000 2.134 323 F HA -0.180 4.347 4.527 -0.000 0.000 0.299 323 F C 2.240 178.019 175.800 -0.035 0.000 1.097 323 F CA 2.091 60.130 58.000 0.065 0.000 1.264 323 F CB -0.540 38.492 39.000 0.053 0.000 1.001 323 F HN 0.112 nan 8.300 nan 0.000 0.479 324 T N -2.317 112.216 114.554 -0.035 0.000 3.194 324 T HA 0.162 4.512 4.350 -0.000 0.000 0.251 324 T C 1.746 176.379 174.700 -0.111 0.000 1.132 324 T CA 0.219 62.234 62.100 -0.142 0.000 1.028 324 T CB -0.161 68.704 68.868 -0.005 0.000 0.976 324 T HN 0.345 nan 8.240 nan 0.000 0.535 325 R N -0.030 120.427 120.500 -0.071 0.000 2.197 325 R HA 0.190 4.530 4.340 -0.000 0.000 0.188 325 R C 1.639 177.904 176.300 -0.058 0.000 1.015 325 R CA 0.463 56.536 56.100 -0.046 0.000 1.132 325 R CB 0.037 30.340 30.300 0.005 0.000 1.134 325 R HN 0.221 nan 8.270 nan 0.000 0.560 326 D N 1.476 121.864 120.400 -0.020 0.000 2.116 326 D HA -0.155 4.485 4.640 -0.000 0.000 0.193 326 D C 1.661 177.896 176.300 -0.108 0.000 0.998 326 D CA 1.789 55.787 54.000 -0.003 0.000 0.836 326 D CB -0.160 40.722 40.800 0.137 0.000 0.951 326 D HN 0.263 nan 8.370 nan 0.000 0.449 327 A N -0.276 122.387 122.820 -0.263 0.000 1.968 327 A HA 0.267 4.587 4.320 -0.000 0.000 0.217 327 A C 1.766 179.193 177.584 -0.261 0.000 1.169 327 A CA 1.565 53.391 52.037 -0.352 0.000 0.638 327 A CB -0.465 18.140 19.000 -0.658 0.000 0.812 327 A HN 0.354 nan 8.150 nan 0.000 0.446 328 G N -0.828 107.845 108.800 -0.212 0.000 2.248 328 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.263 328 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.263 328 G C -0.127 174.672 174.900 -0.168 0.000 1.082 328 G CA 0.167 45.174 45.100 -0.155 0.000 0.863 328 G HN 0.494 nan 8.290 nan 0.000 0.495 329 I N 0.600 121.055 120.570 -0.192 0.000 2.304 329 I HA 0.126 4.296 4.170 -0.000 0.000 0.291 329 I C 0.786 176.836 176.117 -0.112 0.000 1.018 329 I CA -0.974 60.224 61.300 -0.169 0.000 1.260 329 I CB 0.964 38.840 38.000 -0.208 0.000 1.390 329 I HN 0.207 nan 8.210 nan 0.000 0.475 330 N N 4.550 123.192 118.700 -0.097 0.000 2.332 330 N HA -0.114 4.626 4.740 -0.000 0.000 0.274 330 N C 1.128 176.597 175.510 -0.069 0.000 1.351 330 N CA 0.524 53.527 53.050 -0.078 0.000 0.875 330 N CB 0.629 39.065 38.487 -0.084 0.000 1.140 330 N HN 0.711 nan 8.380 nan 0.000 0.489 331 T N -1.097 113.429 114.554 -0.046 0.000 3.086 331 T HA 0.133 4.483 4.350 -0.000 0.000 0.250 331 T C 0.111 174.796 174.700 -0.025 0.000 1.074 331 T CA -0.228 61.858 62.100 -0.023 0.000 0.988 331 T CB 0.025 68.892 68.868 -0.002 0.000 0.988 331 T HN 0.324 nan 8.240 nan 0.000 0.530 332 D N 2.045 122.418 120.400 -0.045 0.000 2.340 332 D HA 0.351 4.991 4.640 -0.000 0.000 0.251 332 D C -0.583 175.666 176.300 -0.085 0.000 1.080 332 D CA -0.419 53.554 54.000 -0.044 0.000 0.971 332 D CB 1.041 41.821 40.800 -0.035 0.000 1.137 332 D HN 0.189 nan 8.370 nan 0.000 0.475 333 D N -0.068 120.291 120.400 -0.070 0.000 2.344 333 D HA 0.419 5.059 4.640 -0.000 0.000 0.244 333 D C -0.044 176.142 176.300 -0.190 0.000 1.134 333 D CA 0.080 54.010 54.000 -0.117 0.000 0.930 333 D CB 0.959 41.736 40.800 -0.039 0.000 1.175 333 D HN 0.194 nan 8.370 nan 0.000 0.437 334 I N 0.111 120.484 120.570 -0.327 0.000 2.686 334 I HA 0.362 4.532 4.170 -0.000 0.000 0.295 334 I C -1.002 174.908 176.117 -0.346 0.000 1.114 334 I CA -1.064 60.030 61.300 -0.343 0.000 1.038 334 I CB 2.272 39.977 38.000 -0.491 0.000 1.238 334 I HN -0.089 nan 8.210 nan 0.000 0.420 335 V N 4.037 123.848 119.914 -0.171 0.000 2.483 335 V HA 0.707 4.827 4.120 -0.000 0.000 0.297 335 V C -0.078 176.079 176.094 0.105 0.000 1.027 335 V CA -0.429 61.844 62.300 -0.045 0.000 0.855 335 V CB 1.811 33.538 31.823 -0.161 0.000 0.995 335 V HN 0.851 nan 8.190 nan 0.000 0.424 336 A N 5.160 128.086 122.820 0.176 0.000 2.317 336 A HA 0.866 5.186 4.320 -0.000 0.000 0.327 336 A C -0.952 176.713 177.584 0.135 0.000 1.178 336 A CA -0.466 51.625 52.037 0.090 0.000 0.817 336 A CB 1.102 20.076 19.000 -0.043 0.000 1.189 336 A HN 0.910 nan 8.150 nan 0.000 0.489 337 L N 3.156 124.405 121.223 0.044 0.000 2.324 337 L HA 0.681 5.021 4.340 -0.000 0.000 0.274 337 L C 0.317 177.035 176.870 -0.253 0.000 1.012 337 L CA 0.145 54.961 54.840 -0.041 0.000 0.859 337 L CB 1.066 43.198 42.059 0.123 0.000 1.224 337 L HN 0.711 nan 8.230 nan 0.000 0.429 338 G N 4.099 112.437 108.800 -0.771 0.000 2.389 338 G HA2 0.578 4.538 3.960 -0.000 0.000 0.328 338 G HA3 0.578 4.538 3.960 -0.000 0.000 0.328 338 G C -1.735 172.900 174.900 -0.441 0.000 1.133 338 G CA -0.481 44.105 45.100 -0.855 0.000 0.891 338 G HN 0.537 nan 8.290 nan 0.000 0.485 339 L N 2.336 123.462 121.223 -0.161 0.000 2.491 339 L HA 0.631 4.971 4.340 -0.000 0.000 0.267 339 L C -1.124 175.766 176.870 0.033 0.000 0.971 339 L CA -0.782 54.053 54.840 -0.008 0.000 0.857 339 L CB 2.068 44.131 42.059 0.006 0.000 1.226 339 L HN 0.321 nan 8.230 nan 0.000 0.408 340 V N 5.351 125.326 119.914 0.103 0.000 2.447 340 V HA 0.349 4.469 4.120 -0.000 0.000 0.292 340 V C -0.763 175.412 176.094 0.135 0.000 1.021 340 V CA -0.689 61.672 62.300 0.101 0.000 0.850 340 V CB 1.154 33.052 31.823 0.126 0.000 1.005 340 V HN 0.694 nan 8.190 nan 0.000 0.426 341 Y N 5.298 125.611 120.300 0.023 0.000 2.301 341 Y HA 0.666 5.216 4.550 -0.000 0.000 0.325 341 Y C 0.241 176.189 175.900 0.081 0.000 1.203 341 Y CA 0.046 58.175 58.100 0.048 0.000 1.255 341 Y CB 1.131 39.609 38.460 0.030 0.000 1.232 341 Y HN 0.783 nan 8.280 nan 0.000 0.501 342 Q N 5.034 124.344 119.800 -0.816 0.000 2.648 342 Q HA 0.567 4.907 4.340 -0.000 0.000 0.300 342 Q C -1.990 173.684 176.000 -0.544 0.000 0.954 342 Q CA -0.913 54.595 55.803 -0.491 0.000 0.757 342 Q CB 2.802 31.398 28.738 -0.237 0.000 1.482 342 Q HN 0.750 nan 8.270 nan 0.000 0.437 343 F N 0.000 119.785 119.950 -0.275 0.000 2.286 343 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 343 F CA 0.000 57.929 58.000 -0.117 0.000 1.383 343 F CB 0.000 39.013 39.000 0.022 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574