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 3h1h_1_O DATA FIRST_RESID 18 DATA SEQUENCE CPGAEDLEIT KLPNGLIIAS LENFSPASRI GVFIKAGSRY ETTANLGTAH DATA SEQUENCE LLRLASPLTT KGASSFRITR GIEAVGGSLS VYSTREKMTY CVECLRDHVD DATA SEQUENCE TVMEYLLNVT TAPEFRPWEV TDLQPQLKVD KAVAFQSPQV GVLENLHAAA DATA SEQUENCE YKTALANPLY CPDYRIGKIT SEQLHHFVQN NFTSARMALV GIGVKHSDLK DATA SEQUENCE QVAEQFLNIR SGAGTSSAKA TYWGGEIREQ NGHSLVHAAV VTEGAAVGSA DATA SEQUENCE EANAFSVLQH VLGAGPLIKR GSSVTSKLYQ GVAKATTQPF DASAFNVNYS DATA SEQUENCE DSGLFGFYTI SQAAHAGEVI RAAMNQLKAA AQGGVTEEDV TKAKNQLKAT DATA SEQUENCE YLMSVETAQG LLNEIGSEAL LSGTHTAPSV VAQKIDSVTS ADVVNAAKKF DATA SEQUENCE VSGKKSMAAS GDLGSTPFLD EL 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 18 C HA 0.000 nan 4.460 nan 0.000 0.325 18 C C 0.000 174.836 174.990 -0.256 0.000 1.270 18 C CA 0.000 58.936 59.018 -0.136 0.000 1.963 18 C CB 0.000 27.677 27.740 -0.104 0.000 2.134 19 P HA 0.233 nan 4.420 nan 0.000 0.262 19 P C 0.316 177.237 177.300 -0.633 0.000 1.110 19 P CA 1.619 64.098 63.100 -1.035 0.000 0.752 19 P CB -0.011 31.020 31.700 -1.114 0.000 0.695 20 G N 0.257 108.720 108.800 -0.561 0.000 3.321 20 G HA2 0.619 4.580 3.960 0.000 0.000 0.169 20 G HA3 0.619 4.580 3.960 0.000 0.000 0.169 20 G C -1.338 173.540 174.900 -0.037 0.000 1.153 20 G CA -0.013 44.964 45.100 -0.205 0.000 1.007 20 G HN 0.683 nan 8.290 nan 0.000 0.668 21 A N 0.231 123.057 122.820 0.009 0.000 2.260 21 A HA 0.711 5.031 4.320 0.000 0.000 0.312 21 A C -0.289 177.344 177.584 0.082 0.000 1.321 21 A CA -0.067 52.001 52.037 0.052 0.000 0.928 21 A CB 0.863 19.878 19.000 0.024 0.000 1.158 21 A HN 0.440 nan 8.150 nan 0.000 0.542 22 E N 1.729 122.002 120.200 0.122 0.000 2.239 22 E HA 0.480 4.830 4.350 0.000 0.000 0.261 22 E C -1.018 175.603 176.600 0.034 0.000 1.016 22 E CA -0.484 55.975 56.400 0.100 0.000 0.882 22 E CB 1.031 30.810 29.700 0.131 0.000 1.190 22 E HN 0.671 nan 8.360 nan 0.000 0.415 23 D N 3.079 123.480 120.400 0.002 0.000 2.549 23 D HA 0.130 4.770 4.640 0.000 0.000 0.251 23 D C -0.417 175.838 176.300 -0.075 0.000 1.153 23 D CA -0.819 53.160 54.000 -0.034 0.000 0.861 23 D CB 0.955 41.737 40.800 -0.029 0.000 1.207 23 D HN 0.418 nan 8.370 nan 0.000 0.543 24 L N 1.966 123.123 121.223 -0.110 0.000 2.919 24 L HA -0.068 4.272 4.340 0.000 0.000 0.289 24 L C 0.205 176.976 176.870 -0.165 0.000 1.050 24 L CA 0.769 55.517 54.840 -0.154 0.000 1.071 24 L CB -0.560 41.334 42.059 -0.276 0.000 1.499 24 L HN 0.303 nan 8.230 nan 0.000 0.443 25 E N 5.330 125.410 120.200 -0.200 0.000 2.351 25 E HA 0.484 4.834 4.350 0.000 0.000 0.255 25 E C -0.210 176.179 176.600 -0.352 0.000 1.188 25 E CA -0.527 55.651 56.400 -0.369 0.000 0.940 25 E CB 1.599 30.896 29.700 -0.671 0.000 1.094 25 E HN 0.677 nan 8.360 nan 0.000 0.474 26 I N 1.215 121.566 120.570 -0.366 0.000 2.537 26 I HA 0.048 4.218 4.170 0.000 0.000 0.258 26 I C -0.876 175.244 176.117 0.005 0.000 1.317 26 I CA -0.002 61.257 61.300 -0.068 0.000 1.123 26 I CB 0.511 38.496 38.000 -0.024 0.000 1.459 26 I HN 0.438 nan 8.210 nan 0.000 0.473 27 T N 4.635 119.277 114.554 0.146 0.000 2.729 27 T HA 0.324 4.675 4.350 0.000 0.000 0.298 27 T C -0.325 174.426 174.700 0.085 0.000 1.013 27 T CA -0.424 61.754 62.100 0.130 0.000 0.957 27 T CB 0.800 69.801 68.868 0.222 0.000 1.130 27 T HN 0.549 nan 8.240 nan 0.000 0.526 28 K N 0.779 121.215 120.400 0.059 0.000 2.606 28 K HA 0.337 4.657 4.320 0.000 0.000 0.259 28 K C -1.462 175.157 176.600 0.031 0.000 1.001 28 K CA -0.423 55.889 56.287 0.040 0.000 0.881 28 K CB 0.787 33.306 32.500 0.031 0.000 1.288 28 K HN 0.446 nan 8.250 nan 0.000 0.452 29 L N 4.880 126.120 121.223 0.027 0.000 2.468 29 L HA 0.335 4.675 4.340 0.000 0.000 0.254 29 L C -1.440 175.441 176.870 0.017 0.000 1.171 29 L CA -2.052 52.800 54.840 0.020 0.000 0.809 29 L CB 0.464 42.533 42.059 0.016 0.000 1.155 29 L HN 0.565 nan 8.230 nan 0.000 0.473 30 P HA -0.208 nan 4.420 nan 0.000 0.215 30 P C 0.679 177.987 177.300 0.014 0.000 1.163 30 P CA 1.721 64.828 63.100 0.012 0.000 0.894 30 P CB -0.193 31.512 31.700 0.009 0.000 0.791 31 N N -1.770 116.939 118.700 0.014 0.000 2.609 31 N HA -0.029 4.711 4.740 0.000 0.000 0.190 31 N C 1.058 176.580 175.510 0.019 0.000 1.157 31 N CA 0.747 53.806 53.050 0.016 0.000 0.918 31 N CB -0.540 37.958 38.487 0.017 0.000 0.978 31 N HN 0.189 nan 8.380 nan 0.000 0.448 32 G N 0.478 109.290 108.800 0.020 0.000 2.157 32 G HA2 -0.258 3.702 3.960 0.000 0.000 0.239 32 G HA3 -0.258 3.702 3.960 0.000 0.000 0.239 32 G C -0.189 174.726 174.900 0.025 0.000 0.982 32 G CA 0.014 45.127 45.100 0.023 0.000 0.650 32 G HN 0.365 nan 8.290 nan 0.000 0.527 33 L N 2.332 123.570 121.223 0.025 0.000 2.407 33 L HA 0.602 4.942 4.340 0.000 0.000 0.282 33 L C 0.662 177.550 176.870 0.030 0.000 1.110 33 L CA -0.661 54.196 54.840 0.028 0.000 0.863 33 L CB -0.022 42.053 42.059 0.026 0.000 1.207 33 L HN 0.201 nan 8.230 nan 0.000 0.454 34 I N 6.127 126.716 120.570 0.032 0.000 2.529 34 I HA 0.153 4.323 4.170 0.000 0.000 0.284 34 I C -0.003 176.136 176.117 0.038 0.000 1.082 34 I CA 0.140 61.460 61.300 0.034 0.000 1.406 34 I CB 0.630 38.645 38.000 0.025 0.000 1.405 34 I HN 0.519 nan 8.210 nan 0.000 0.548 35 I N 6.246 126.851 120.570 0.057 0.000 2.466 35 I HA 0.406 4.576 4.170 0.000 0.000 0.279 35 I C 0.087 176.296 176.117 0.153 0.000 1.033 35 I CA -0.302 61.033 61.300 0.057 0.000 1.123 35 I CB 1.376 39.374 38.000 -0.003 0.000 1.237 35 I HN 0.591 nan 8.210 nan 0.000 0.460 36 A N 4.509 127.385 122.820 0.093 0.000 2.295 36 A HA 0.877 5.197 4.320 0.000 0.000 0.318 36 A C -0.186 177.479 177.584 0.135 0.000 1.134 36 A CA -0.361 51.740 52.037 0.107 0.000 0.827 36 A CB 1.581 20.581 19.000 0.001 0.000 1.136 36 A HN 0.604 nan 8.150 nan 0.000 0.493 37 S N -0.041 115.757 115.700 0.163 0.000 2.547 37 S HA 0.631 5.101 4.470 0.000 0.000 0.270 37 S C -2.116 172.515 174.600 0.051 0.000 1.150 37 S CA -0.425 57.868 58.200 0.156 0.000 0.850 37 S CB 1.409 64.847 63.200 0.397 0.000 1.118 37 S HN 2.087 nan 8.310 nan 0.000 0.461 38 L N 2.784 124.013 121.223 0.010 0.000 2.849 38 L HA 0.628 4.968 4.340 0.000 0.000 0.256 38 L C -1.209 175.626 176.870 -0.058 0.000 0.951 38 L CA -0.127 54.694 54.840 -0.033 0.000 1.003 38 L CB 1.620 43.650 42.059 -0.049 0.000 1.408 38 L HN 0.839 nan 8.230 nan 0.000 0.463 39 E N 3.092 123.233 120.200 -0.099 0.000 2.105 39 E HA 0.361 4.711 4.350 0.000 0.000 0.285 39 E C 0.023 176.522 176.600 -0.168 0.000 1.055 39 E CA 0.130 56.392 56.400 -0.230 0.000 0.843 39 E CB 0.605 30.070 29.700 -0.391 0.000 1.067 39 E HN 0.586 nan 8.360 nan 0.000 0.398 40 N N 4.563 123.205 118.700 -0.097 0.000 2.275 40 N HA 0.031 4.771 4.740 0.000 0.000 0.236 40 N C -0.514 175.110 175.510 0.190 0.000 1.154 40 N CA -0.576 52.524 53.050 0.082 0.000 0.866 40 N CB -0.625 37.895 38.487 0.056 0.000 1.093 40 N HN 0.495 nan 8.380 nan 0.000 0.515 41 F N -0.442 119.512 119.950 0.007 0.000 3.099 41 F HA -0.285 4.242 4.527 0.000 0.000 0.276 41 F C 0.841 176.645 175.800 0.007 0.000 0.914 41 F CA 0.676 58.680 58.000 0.006 0.000 0.948 41 F CB -2.319 36.683 39.000 0.004 0.000 0.983 41 F HN 0.169 nan 8.300 nan 0.000 0.638 42 S N 1.678 117.435 115.700 0.095 0.000 2.564 42 S HA 0.227 4.697 4.470 0.000 0.000 0.278 42 S C -0.317 174.316 174.600 0.055 0.000 1.333 42 S CA -0.876 57.367 58.200 0.072 0.000 1.048 42 S CB 0.982 64.208 63.200 0.043 0.000 0.900 42 S HN 0.098 nan 8.310 nan 0.000 0.505 43 P HA 0.088 nan 4.420 nan 0.000 0.236 43 P C -0.184 177.134 177.300 0.030 0.000 1.172 43 P CA 0.482 63.607 63.100 0.043 0.000 0.759 43 P CB -0.141 31.584 31.700 0.041 0.000 0.843 44 A N -1.060 121.778 122.820 0.029 0.000 2.475 44 A HA 0.624 4.944 4.320 0.000 0.000 0.301 44 A C -0.017 177.581 177.584 0.023 0.000 1.059 44 A CA -0.388 51.666 52.037 0.029 0.000 0.710 44 A CB 1.426 20.448 19.000 0.036 0.000 1.288 44 A HN -0.034 nan 8.150 nan 0.000 0.408 45 S N -0.263 115.453 115.700 0.027 0.000 2.745 45 S HA 0.848 5.318 4.470 0.000 0.000 0.292 45 S C 0.079 174.705 174.600 0.044 0.000 1.127 45 S CA -0.610 57.605 58.200 0.026 0.000 1.007 45 S CB 1.009 64.222 63.200 0.022 0.000 1.165 45 S HN 0.911 nan 8.310 nan 0.000 0.544 46 R N 0.739 121.270 120.500 0.052 0.000 2.937 46 R HA 0.271 4.611 4.340 0.000 0.000 0.195 46 R C -1.672 174.683 176.300 0.091 0.000 1.522 46 R CA 0.101 56.244 56.100 0.072 0.000 0.947 46 R CB -1.030 29.311 30.300 0.069 0.000 1.503 46 R HN 0.601 nan 8.270 nan 0.000 0.491 47 I N 1.194 121.819 120.570 0.092 0.000 3.079 47 I HA 0.678 4.848 4.170 0.000 0.000 0.295 47 I C 0.766 176.967 176.117 0.140 0.000 1.094 47 I CA -0.030 61.336 61.300 0.109 0.000 1.295 47 I CB 1.473 39.526 38.000 0.088 0.000 1.443 47 I HN 0.697 nan 8.210 nan 0.000 0.607 48 G N 2.299 111.209 108.800 0.184 0.000 2.682 48 G HA2 0.435 4.395 3.960 0.000 0.000 0.300 48 G HA3 0.435 4.395 3.960 0.000 0.000 0.300 48 G C -1.583 173.451 174.900 0.224 0.000 1.396 48 G CA -0.487 44.715 45.100 0.169 0.000 1.104 48 G HN 0.318 nan 8.290 nan 0.000 0.587 49 V N 2.645 122.620 119.914 0.103 0.000 2.408 49 V HA 0.474 4.594 4.120 0.000 0.000 0.267 49 V C -0.416 175.697 176.094 0.031 0.000 1.047 49 V CA -0.273 62.100 62.300 0.121 0.000 0.937 49 V CB 0.286 32.126 31.823 0.028 0.000 0.999 49 V HN 0.496 nan 8.190 nan 0.000 0.472 50 F N 5.540 125.507 119.950 0.029 0.000 2.422 50 F HA 0.704 5.232 4.527 0.000 0.000 0.333 50 F C 0.268 176.040 175.800 -0.048 0.000 1.095 50 F CA -0.760 57.251 58.000 0.018 0.000 1.038 50 F CB 1.296 40.313 39.000 0.027 0.000 1.156 50 F HN 0.230 nan 8.300 nan 0.000 0.483 51 I N 1.942 122.542 120.570 0.050 0.000 2.802 51 I HA 0.257 4.427 4.170 0.000 0.000 0.298 51 I C -0.761 175.321 176.117 -0.058 0.000 1.176 51 I CA -1.061 60.180 61.300 -0.098 0.000 1.025 51 I CB 2.584 40.329 38.000 -0.424 0.000 1.243 51 I HN 0.383 nan 8.210 nan 0.000 0.424 52 K N 4.635 124.997 120.400 -0.063 0.000 2.150 52 K HA 0.678 4.998 4.320 0.000 0.000 0.261 52 K C -0.632 175.828 176.600 -0.232 0.000 1.127 52 K CA -0.117 56.150 56.287 -0.033 0.000 0.989 52 K CB 0.779 33.309 32.500 0.049 0.000 1.475 52 K HN 0.656 nan 8.250 nan 0.000 0.391 53 A N 1.225 123.904 122.820 -0.234 0.000 2.581 53 A HA 0.909 5.229 4.320 0.000 0.000 0.290 53 A C -0.619 176.935 177.584 -0.049 0.000 1.119 53 A CA -0.328 51.498 52.037 -0.353 0.000 0.670 53 A CB 1.916 20.979 19.000 0.105 0.000 1.280 53 A HN 0.598 nan 8.150 nan 0.000 0.425 54 G N -1.276 107.633 108.800 0.181 0.000 2.361 54 G HA2 0.520 4.481 3.960 0.000 0.000 0.305 54 G HA3 0.520 4.481 3.960 0.000 0.000 0.305 54 G C 0.571 175.657 174.900 0.311 0.000 1.367 54 G CA 0.572 45.808 45.100 0.227 0.000 0.951 54 G HN 2.065 nan 8.290 nan 0.000 0.615 55 S N -0.449 115.329 115.700 0.129 0.000 2.488 55 S HA -0.197 4.273 4.470 0.000 0.000 0.246 55 S C 1.994 176.683 174.600 0.149 0.000 0.992 55 S CA 1.710 59.965 58.200 0.092 0.000 0.963 55 S CB -0.210 62.973 63.200 -0.029 0.000 0.754 55 S HN 0.841 nan 8.310 nan 0.000 0.519 56 R N 0.015 120.642 120.500 0.210 0.000 2.115 56 R HA -0.074 4.266 4.340 0.000 0.000 0.230 56 R C 1.008 177.397 176.300 0.150 0.000 1.111 56 R CA 1.346 57.521 56.100 0.126 0.000 0.976 56 R CB -0.264 30.095 30.300 0.098 0.000 0.870 56 R HN 0.568 nan 8.270 nan 0.000 0.445 57 Y N 0.800 121.165 120.300 0.108 0.000 2.466 57 Y HA 0.236 4.786 4.550 0.000 0.000 0.272 57 Y C 0.174 176.174 175.900 0.167 0.000 1.169 57 Y CA -0.272 57.892 58.100 0.106 0.000 1.285 57 Y CB -0.019 38.471 38.460 0.050 0.000 1.078 57 Y HN 0.018 nan 8.280 nan 0.000 0.523 58 E N 0.223 120.627 120.200 0.341 0.000 2.390 58 E HA 0.231 4.581 4.350 0.000 0.000 0.261 58 E C -0.169 176.519 176.600 0.147 0.000 1.076 58 E CA 0.109 56.660 56.400 0.251 0.000 0.905 58 E CB 0.749 30.545 29.700 0.160 0.000 0.984 58 E HN 0.038 nan 8.360 nan 0.000 0.427 59 T N 0.397 115.027 114.554 0.126 0.000 2.932 59 T HA 0.064 4.414 4.350 0.000 0.000 0.289 59 T C 1.119 175.867 174.700 0.080 0.000 1.039 59 T CA -0.746 61.406 62.100 0.088 0.000 1.024 59 T CB 1.607 70.525 68.868 0.083 0.000 1.090 59 T HN 0.493 nan 8.240 nan 0.000 0.496 60 T N 1.131 115.728 114.554 0.071 0.000 2.792 60 T HA -0.219 4.131 4.350 0.000 0.000 0.268 60 T C 1.885 176.645 174.700 0.101 0.000 1.059 60 T CA 1.867 64.019 62.100 0.087 0.000 1.136 60 T CB -0.555 68.353 68.868 0.067 0.000 0.846 60 T HN 0.697 nan 8.240 nan 0.000 0.489 61 A N 1.468 124.336 122.820 0.080 0.000 2.123 61 A HA 0.073 4.394 4.320 0.000 0.000 0.214 61 A C 1.654 179.275 177.584 0.061 0.000 1.152 61 A CA 1.232 53.313 52.037 0.074 0.000 0.728 61 A CB -0.098 18.939 19.000 0.061 0.000 0.814 61 A HN 0.739 nan 8.150 nan 0.000 0.464 62 N N -0.623 118.113 118.700 0.059 0.000 2.240 62 N HA 0.177 4.917 4.740 0.000 0.000 0.240 62 N C -0.296 175.209 175.510 -0.009 0.000 1.277 62 N CA -0.390 52.677 53.050 0.028 0.000 0.873 62 N CB -0.854 37.674 38.487 0.068 0.000 1.222 62 N HN 0.282 nan 8.380 nan 0.000 0.507 63 L N 0.582 121.803 121.223 -0.003 0.000 2.640 63 L HA 0.026 4.367 4.340 0.000 0.000 0.300 63 L C 1.681 178.487 176.870 -0.108 0.000 1.259 63 L CA 1.663 56.479 54.840 -0.041 0.000 0.879 63 L CB -0.117 41.912 42.059 -0.050 0.000 1.125 63 L HN 0.555 nan 8.230 nan 0.000 0.507 64 G N 0.870 109.613 108.800 -0.096 0.000 2.320 64 G HA2 -0.404 3.556 3.960 0.000 0.000 0.242 64 G HA3 -0.404 3.556 3.960 0.000 0.000 0.242 64 G C 1.000 175.796 174.900 -0.173 0.000 1.033 64 G CA 0.837 45.876 45.100 -0.102 0.000 0.620 64 G HN 0.725 nan 8.290 nan 0.000 0.517 65 T N 0.638 115.055 114.554 -0.229 0.000 2.778 65 T HA 0.077 4.427 4.350 0.000 0.000 0.269 65 T C 2.611 176.979 174.700 -0.554 0.000 1.050 65 T CA 2.980 64.868 62.100 -0.354 0.000 1.137 65 T CB -0.482 68.201 68.868 -0.308 0.000 0.860 65 T HN 1.448 nan 8.240 nan 0.000 0.468 66 A N 0.059 122.517 122.820 -0.603 0.000 1.873 66 A HA -0.050 4.270 4.320 0.000 0.000 0.215 66 A C 2.109 179.542 177.584 -0.252 0.000 1.186 66 A CA 1.986 53.637 52.037 -0.644 0.000 0.616 66 A CB -1.245 17.515 19.000 -0.399 0.000 0.823 66 A HN 0.856 nan 8.150 nan 0.000 0.442 67 H N -0.899 118.014 119.070 -0.262 0.000 2.251 67 H HA -0.193 4.363 4.556 0.000 0.000 0.294 67 H C 2.078 177.304 175.328 -0.170 0.000 1.078 67 H CA 1.694 57.639 56.048 -0.173 0.000 1.246 67 H CB -0.174 29.522 29.762 -0.111 0.000 1.358 67 H HN 0.329 nan 8.280 nan 0.000 0.488 68 L N 0.787 121.872 121.223 -0.230 0.000 2.043 68 L HA -0.187 4.153 4.340 0.000 0.000 0.212 68 L C 2.450 179.169 176.870 -0.252 0.000 1.075 68 L CA 1.452 56.096 54.840 -0.325 0.000 0.752 68 L CB -0.901 40.947 42.059 -0.352 0.000 0.891 68 L HN 0.413 nan 8.230 nan 0.000 0.432 69 L N -0.024 121.037 121.223 -0.270 0.000 2.043 69 L HA -0.244 4.096 4.340 0.000 0.000 0.212 69 L C 2.772 179.617 176.870 -0.043 0.000 1.075 69 L CA 2.244 56.959 54.840 -0.210 0.000 0.752 69 L CB -0.808 41.123 42.059 -0.214 0.000 0.891 69 L HN 0.444 nan 8.230 nan 0.000 0.432 70 R N -0.807 119.670 120.500 -0.039 0.000 2.091 70 R HA -0.151 4.189 4.340 0.000 0.000 0.238 70 R C 2.174 178.445 176.300 -0.047 0.000 1.136 70 R CA 1.823 57.895 56.100 -0.046 0.000 0.959 70 R CB -0.316 29.966 30.300 -0.030 0.000 0.856 70 R HN 0.479 nan 8.270 nan 0.000 0.437 71 L N -0.043 121.158 121.223 -0.037 0.000 2.313 71 L HA 0.075 4.415 4.340 0.000 0.000 0.214 71 L C 2.261 179.100 176.870 -0.053 0.000 1.119 71 L CA 0.659 55.470 54.840 -0.050 0.000 0.809 71 L CB -0.279 41.731 42.059 -0.082 0.000 0.933 71 L HN 0.278 nan 8.230 nan 0.000 0.449 72 A N 0.065 122.849 122.820 -0.060 0.000 2.235 72 A HA -0.057 4.263 4.320 0.000 0.000 0.208 72 A C 2.318 179.950 177.584 0.081 0.000 1.172 72 A CA 0.926 52.945 52.037 -0.030 0.000 0.786 72 A CB -0.427 18.491 19.000 -0.137 0.000 0.804 72 A HN 0.482 nan 8.150 nan 0.000 0.479 73 S N 1.202 116.961 115.700 0.098 0.000 2.420 73 S HA -0.117 4.353 4.470 0.000 0.000 0.237 73 S C -0.352 174.314 174.600 0.110 0.000 1.023 73 S CA 1.449 59.747 58.200 0.163 0.000 0.991 73 S CB -1.235 62.040 63.200 0.125 0.000 0.792 73 S HN 0.642 nan 8.310 nan 0.000 0.488 74 P HA 0.346 nan 4.420 nan 0.000 0.268 74 P C 0.161 177.489 177.300 0.046 0.000 1.329 74 P CA -0.136 62.985 63.100 0.036 0.000 0.899 74 P CB 0.007 31.708 31.700 0.003 0.000 1.378 75 L N 0.746 122.007 121.223 0.064 0.000 2.472 75 L HA 0.176 4.516 4.340 0.000 0.000 0.260 75 L C 1.174 178.079 176.870 0.058 0.000 1.209 75 L CA -0.342 54.535 54.840 0.061 0.000 0.817 75 L CB -0.089 42.017 42.059 0.079 0.000 1.106 75 L HN -0.030 nan 8.230 nan 0.000 0.479 76 T N -1.405 113.175 114.554 0.043 0.000 2.937 76 T HA 0.245 4.595 4.350 0.000 0.000 0.316 76 T C 0.165 174.860 174.700 -0.009 0.000 1.079 76 T CA -0.611 61.511 62.100 0.037 0.000 1.131 76 T CB 0.633 69.529 68.868 0.047 0.000 1.000 76 T HN 0.800 nan 8.240 nan 0.000 0.549 77 T N -0.841 113.711 114.554 -0.005 0.000 2.883 77 T HA 0.487 4.837 4.350 0.000 0.000 0.284 77 T C 0.784 175.461 174.700 -0.038 0.000 1.041 77 T CA -1.269 60.801 62.100 -0.050 0.000 1.007 77 T CB 1.628 70.473 68.868 -0.038 0.000 1.220 77 T HN 0.522 nan 8.240 nan 0.000 0.552 78 K N -0.318 120.045 120.400 -0.060 0.000 2.365 78 K HA 0.151 4.471 4.320 0.000 0.000 0.199 78 K C 1.761 178.338 176.600 -0.039 0.000 1.045 78 K CA 0.876 57.136 56.287 -0.045 0.000 0.962 78 K CB -0.141 32.325 32.500 -0.056 0.000 0.759 78 K HN 0.766 nan 8.250 nan 0.000 0.469 79 G N -0.241 108.528 108.800 -0.052 0.000 3.079 79 G HA2 0.382 4.342 3.960 0.000 0.000 0.233 79 G HA3 0.382 4.342 3.960 0.000 0.000 0.233 79 G C -0.294 174.584 174.900 -0.037 0.000 1.062 79 G CA 0.093 45.155 45.100 -0.063 0.000 0.809 79 G HN 0.214 nan 8.290 nan 0.000 0.535 80 A N 0.411 123.237 122.820 0.010 0.000 2.517 80 A HA 0.686 5.006 4.320 0.000 0.000 0.297 80 A C -0.142 177.510 177.584 0.114 0.000 1.050 80 A CA -0.155 51.939 52.037 0.094 0.000 0.694 80 A CB 1.064 20.169 19.000 0.175 0.000 1.277 80 A HN 0.752 nan 8.150 nan 0.000 0.400 81 S N 1.139 116.925 115.700 0.144 0.000 2.610 81 S HA 0.423 4.893 4.470 0.000 0.000 0.273 81 S C 1.310 176.001 174.600 0.152 0.000 1.274 81 S CA 0.308 58.596 58.200 0.147 0.000 1.023 81 S CB 1.499 64.805 63.200 0.176 0.000 0.962 81 S HN 1.610 nan 8.310 nan 0.000 0.523 82 S N 1.312 117.093 115.700 0.135 0.000 2.400 82 S HA -0.213 4.257 4.470 0.000 0.000 0.234 82 S C 1.362 176.031 174.600 0.116 0.000 1.049 82 S CA 1.798 60.063 58.200 0.108 0.000 1.039 82 S CB -0.902 62.365 63.200 0.111 0.000 0.856 82 S HN 0.740 nan 8.310 nan 0.000 0.465 83 F N 1.956 121.918 119.950 0.021 0.000 2.051 83 F HA 0.059 4.586 4.527 0.000 0.000 0.296 83 F C 2.541 178.330 175.800 -0.017 0.000 1.122 83 F CA 1.963 59.965 58.000 0.004 0.000 1.201 83 F CB -0.633 38.378 39.000 0.017 0.000 0.978 83 F HN 0.100 nan 8.300 nan 0.000 0.472 84 R N 0.357 120.897 120.500 0.067 0.000 2.096 84 R HA -0.140 4.201 4.340 0.000 0.000 0.235 84 R C 2.327 178.490 176.300 -0.229 0.000 1.127 84 R CA 1.854 57.923 56.100 -0.050 0.000 0.968 84 R CB -0.464 29.951 30.300 0.192 0.000 0.861 84 R HN 0.416 nan 8.270 nan 0.000 0.440 85 I N -0.365 120.120 120.570 -0.142 0.000 2.163 85 I HA -0.299 3.871 4.170 0.000 0.000 0.243 85 I C 2.046 177.880 176.117 -0.472 0.000 1.085 85 I CA 1.613 62.709 61.300 -0.340 0.000 1.347 85 I CB -0.389 37.587 38.000 -0.041 0.000 1.044 85 I HN 0.212 nan 8.210 nan 0.000 0.408 86 T N 0.183 114.551 114.554 -0.311 0.000 2.732 86 T HA -0.056 4.294 4.350 0.000 0.000 0.261 86 T C 2.071 176.556 174.700 -0.359 0.000 1.040 86 T CA 0.782 62.710 62.100 -0.288 0.000 1.145 86 T CB -0.121 68.629 68.868 -0.196 0.000 0.866 86 T HN 0.146 nan 8.240 nan 0.000 0.427 87 R N 0.996 121.214 120.500 -0.469 0.000 2.091 87 R HA 0.006 4.346 4.340 0.000 0.000 0.238 87 R C 2.762 178.840 176.300 -0.370 0.000 1.136 87 R CA 1.497 57.319 56.100 -0.463 0.000 0.959 87 R CB -1.408 28.454 30.300 -0.730 0.000 0.856 87 R HN 0.508 nan 8.270 nan 0.000 0.437 88 G N 1.207 109.740 108.800 -0.445 0.000 2.459 88 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 88 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 88 G C 1.650 176.317 174.900 -0.389 0.000 1.183 88 G CA 0.693 45.542 45.100 -0.417 0.000 0.776 88 G HN 0.248 nan 8.290 nan 0.000 0.552 89 I N 0.477 120.737 120.570 -0.517 0.000 2.226 89 I HA -0.135 4.036 4.170 0.000 0.000 0.245 89 I C 2.758 178.762 176.117 -0.189 0.000 1.100 89 I CA 1.182 62.307 61.300 -0.292 0.000 1.374 89 I CB -0.279 37.562 38.000 -0.266 0.000 1.057 89 I HN 0.263 nan 8.210 nan 0.000 0.413 90 E N 0.924 121.003 120.200 -0.201 0.000 2.153 90 E HA -0.191 4.159 4.350 0.000 0.000 0.194 90 E C 2.259 178.778 176.600 -0.136 0.000 0.988 90 E CA 1.073 57.385 56.400 -0.148 0.000 0.811 90 E CB -0.145 29.467 29.700 -0.147 0.000 0.746 90 E HN 0.503 nan 8.360 nan 0.000 0.466 91 A N 1.125 123.850 122.820 -0.157 0.000 2.131 91 A HA -0.113 4.207 4.320 0.000 0.000 0.220 91 A C 1.959 179.440 177.584 -0.172 0.000 1.158 91 A CA 1.357 53.309 52.037 -0.141 0.000 0.665 91 A CB -0.204 18.718 19.000 -0.130 0.000 0.795 91 A HN 0.204 nan 8.150 nan 0.000 0.460 92 V N -5.031 114.762 119.914 -0.200 0.000 2.909 92 V HA 0.614 4.734 4.120 0.000 0.000 0.362 92 V C 0.880 176.897 176.094 -0.128 0.000 1.356 92 V CA 0.049 62.171 62.300 -0.297 0.000 1.195 92 V CB -0.814 30.703 31.823 -0.510 0.000 1.256 92 V HN 1.263 nan 8.190 nan 0.000 0.567 93 G N 0.358 109.109 108.800 -0.082 0.000 2.321 93 G HA2 -0.167 3.793 3.960 0.000 0.000 0.287 93 G HA3 -0.167 3.793 3.960 0.000 0.000 0.287 93 G C 0.624 175.514 174.900 -0.017 0.000 1.018 93 G CA 0.534 45.613 45.100 -0.034 0.000 0.855 93 G HN 1.424 nan 8.290 nan 0.000 0.507 94 G N -0.914 107.864 108.800 -0.036 0.000 2.563 94 G HA2 0.786 4.746 3.960 0.000 0.000 0.283 94 G HA3 0.786 4.746 3.960 0.000 0.000 0.283 94 G C 0.254 175.143 174.900 -0.019 0.000 1.309 94 G CA 0.672 45.765 45.100 -0.011 0.000 1.022 94 G HN 1.819 nan 8.290 nan 0.000 0.501 95 S N -1.623 114.075 115.700 -0.004 0.000 2.550 95 S HA 0.622 5.092 4.470 0.000 0.000 0.270 95 S C -1.662 172.936 174.600 -0.003 0.000 1.145 95 S CA -0.762 57.432 58.200 -0.009 0.000 0.852 95 S CB 2.006 65.212 63.200 0.010 0.000 1.119 95 S HN 1.209 nan 8.310 nan 0.000 0.465 96 L N 2.226 123.434 121.223 -0.025 0.000 2.470 96 L HA 0.867 5.207 4.340 0.000 0.000 0.268 96 L C -1.022 175.799 176.870 -0.081 0.000 0.964 96 L CA 0.158 54.984 54.840 -0.024 0.000 0.839 96 L CB 1.733 43.784 42.059 -0.014 0.000 1.276 96 L HN 1.106 nan 8.230 nan 0.000 0.403 97 S N 3.086 118.704 115.700 -0.137 0.000 2.588 97 S HA 0.898 5.368 4.470 0.000 0.000 0.275 97 S C -1.251 173.040 174.600 -0.516 0.000 1.130 97 S CA -0.849 57.142 58.200 -0.347 0.000 0.855 97 S CB 2.000 64.921 63.200 -0.464 0.000 1.116 97 S HN 0.403 nan 8.310 nan 0.000 0.472 98 V N 2.347 121.854 119.914 -0.678 0.000 2.409 98 V HA 0.453 4.573 4.120 0.000 0.000 0.290 98 V C -1.767 173.927 176.094 -0.667 0.000 1.017 98 V CA -0.532 61.345 62.300 -0.705 0.000 0.841 98 V CB 0.486 31.895 31.823 -0.691 0.000 1.003 98 V HN 0.885 nan 8.190 nan 0.000 0.426 99 Y N 2.475 122.625 120.300 -0.249 0.000 2.360 99 Y HA 0.763 5.313 4.550 0.000 0.000 0.337 99 Y C 0.531 176.329 175.900 -0.170 0.000 1.039 99 Y CA -0.710 57.290 58.100 -0.167 0.000 1.109 99 Y CB 2.199 40.585 38.460 -0.124 0.000 1.201 99 Y HN 0.643 nan 8.280 nan 0.000 0.458 100 S N 0.202 115.906 115.700 0.006 0.000 2.533 100 S HA 0.672 5.142 4.470 0.000 0.000 0.271 100 S C -0.555 174.026 174.600 -0.032 0.000 1.143 100 S CA -0.670 57.516 58.200 -0.023 0.000 0.891 100 S CB 1.399 64.563 63.200 -0.060 0.000 1.105 100 S HN 0.803 nan 8.310 nan 0.000 0.468 101 T N 0.237 114.795 114.554 0.006 0.000 2.892 101 T HA 0.516 4.866 4.350 0.000 0.000 0.280 101 T C 1.030 175.724 174.700 -0.011 0.000 1.004 101 T CA -0.913 61.195 62.100 0.014 0.000 0.950 101 T CB 0.656 69.586 68.868 0.105 0.000 1.309 101 T HN 0.647 nan 8.240 nan 0.000 0.592 102 R N 0.655 121.139 120.500 -0.026 0.000 2.237 102 R HA 0.011 4.351 4.340 0.000 0.000 0.219 102 R C 1.516 177.822 176.300 0.010 0.000 1.080 102 R CA 1.522 57.575 56.100 -0.078 0.000 0.995 102 R CB -0.084 30.084 30.300 -0.219 0.000 0.875 102 R HN 0.874 nan 8.270 nan 0.000 0.462 103 E N -0.015 120.224 120.200 0.065 0.000 2.846 103 E HA 0.065 4.415 4.350 0.000 0.000 0.211 103 E C -0.946 175.742 176.600 0.147 0.000 0.975 103 E CA -0.466 56.032 56.400 0.163 0.000 1.211 103 E CB 0.495 30.285 29.700 0.151 0.000 1.052 103 E HN -0.017 nan 8.360 nan 0.000 0.487 104 K N 0.492 120.953 120.400 0.101 0.000 2.543 104 K HA 0.499 4.819 4.320 0.000 0.000 0.255 104 K C -1.385 175.241 176.600 0.045 0.000 0.934 104 K CA -0.565 55.771 56.287 0.083 0.000 0.810 104 K CB 1.836 34.410 32.500 0.124 0.000 1.315 104 K HN 0.037 nan 8.250 nan 0.000 0.433 105 M N 2.546 122.153 119.600 0.012 0.000 2.197 105 M HA 0.373 4.853 4.480 0.000 0.000 0.301 105 M C -1.142 175.119 176.300 -0.064 0.000 0.987 105 M CA -0.589 54.700 55.300 -0.018 0.000 0.921 105 M CB 2.757 35.393 32.600 0.059 0.000 1.569 105 M HN 0.801 nan 8.290 nan 0.000 0.431 106 T N 2.584 117.050 114.554 -0.147 0.000 2.779 106 T HA 0.522 4.872 4.350 0.000 0.000 0.280 106 T C -1.287 173.285 174.700 -0.214 0.000 0.987 106 T CA -0.381 61.550 62.100 -0.281 0.000 0.966 106 T CB 0.644 69.199 68.868 -0.521 0.000 0.933 106 T HN 0.302 nan 8.240 nan 0.000 0.442 107 Y N 2.563 122.732 120.300 -0.217 0.000 2.402 107 Y HA 0.492 5.043 4.550 0.000 0.000 0.332 107 Y C 0.707 176.552 175.900 -0.091 0.000 0.960 107 Y CA -1.087 56.945 58.100 -0.114 0.000 1.228 107 Y CB 0.603 39.029 38.460 -0.057 0.000 1.120 107 Y HN 0.855 nan 8.280 nan 0.000 0.491 108 C N 1.976 121.310 119.300 0.058 0.000 2.779 108 C HA 1.001 5.462 4.460 0.000 0.000 0.314 108 C C -0.222 174.821 174.990 0.088 0.000 1.231 108 C CA -1.199 57.870 59.018 0.085 0.000 1.652 108 C CB 0.805 28.603 27.740 0.097 0.000 2.198 108 C HN 0.716 nan 8.230 nan 0.000 0.483 109 V N -1.262 118.708 119.914 0.093 0.000 3.040 109 V HA 0.832 4.953 4.120 0.000 0.000 0.312 109 V C -0.966 175.176 176.094 0.081 0.000 1.115 109 V CA -0.386 61.962 62.300 0.079 0.000 0.998 109 V CB 1.882 33.755 31.823 0.084 0.000 1.042 109 V HN 1.061 nan 8.190 nan 0.000 0.433 110 E N 0.915 121.156 120.200 0.068 0.000 2.369 110 E HA 0.839 5.189 4.350 0.000 0.000 0.270 110 E C -1.132 175.506 176.600 0.063 0.000 0.909 110 E CA -0.340 56.099 56.400 0.066 0.000 0.775 110 E CB 2.428 32.165 29.700 0.061 0.000 1.270 110 E HN 1.361 nan 8.360 nan 0.000 0.445 111 C N -1.254 118.087 119.300 0.068 0.000 3.056 111 C HA 0.379 4.839 4.460 0.000 0.000 0.336 111 C C -1.577 173.464 174.990 0.084 0.000 1.356 111 C CA -1.126 57.943 59.018 0.084 0.000 1.216 111 C CB -0.448 27.359 27.740 0.112 0.000 1.391 111 C HN 0.732 nan 8.230 nan 0.000 0.445 112 L N 2.054 123.345 121.223 0.113 0.000 2.371 112 L HA 0.457 4.797 4.340 0.000 0.000 0.272 112 L C 1.870 178.753 176.870 0.021 0.000 1.124 112 L CA -0.497 54.385 54.840 0.070 0.000 0.816 112 L CB 0.504 42.615 42.059 0.087 0.000 1.129 112 L HN 0.846 nan 8.230 nan 0.000 0.448 113 R N 0.857 121.352 120.500 -0.008 0.000 2.190 113 R HA -0.246 4.094 4.340 0.000 0.000 0.255 113 R C 1.123 177.376 176.300 -0.079 0.000 1.143 113 R CA 2.090 58.171 56.100 -0.033 0.000 0.965 113 R CB -0.461 29.819 30.300 -0.034 0.000 0.889 113 R HN 0.697 nan 8.270 nan 0.000 0.448 114 D N -0.529 119.765 120.400 -0.176 0.000 2.265 114 D HA -0.114 4.526 4.640 0.000 0.000 0.208 114 D C 1.202 177.248 176.300 -0.422 0.000 0.977 114 D CA 1.183 54.978 54.000 -0.341 0.000 0.871 114 D CB -0.091 40.390 40.800 -0.531 0.000 0.925 114 D HN 0.474 nan 8.370 nan 0.000 0.485 115 H N -0.855 118.232 119.070 0.029 0.000 2.592 115 H HA 0.198 4.754 4.556 0.000 0.000 0.279 115 H C 2.010 177.364 175.328 0.044 0.000 1.089 115 H CA -0.152 55.918 56.048 0.037 0.000 1.150 115 H CB 0.464 30.248 29.762 0.037 0.000 1.575 115 H HN -0.050 nan 8.280 nan 0.000 0.547 116 V N 2.138 122.113 119.914 0.101 0.000 2.231 116 V HA -0.326 3.794 4.120 0.000 0.000 0.248 116 V C 2.441 178.587 176.094 0.086 0.000 1.054 116 V CA 2.474 64.824 62.300 0.083 0.000 1.015 116 V CB -0.342 31.507 31.823 0.043 0.000 0.638 116 V HN 0.566 nan 8.190 nan 0.000 0.444 117 D N -0.691 119.753 120.400 0.073 0.000 2.239 117 D HA -0.219 4.421 4.640 0.000 0.000 0.202 117 D C 1.835 178.177 176.300 0.071 0.000 0.993 117 D CA 2.065 56.108 54.000 0.071 0.000 0.874 117 D CB -0.595 40.244 40.800 0.064 0.000 0.922 117 D HN 0.495 nan 8.370 nan 0.000 0.464 118 T N 0.700 115.318 114.554 0.107 0.000 2.770 118 T HA -0.028 4.323 4.350 0.000 0.000 0.258 118 T C 2.315 177.107 174.700 0.153 0.000 1.039 118 T CA 1.051 63.222 62.100 0.118 0.000 1.143 118 T CB -0.377 68.592 68.868 0.169 0.000 0.866 118 T HN 0.039 nan 8.240 nan 0.000 0.428 119 V N 1.661 121.685 119.914 0.184 0.000 2.594 119 V HA -0.159 3.961 4.120 0.000 0.000 0.253 119 V C 2.441 178.635 176.094 0.167 0.000 1.069 119 V CA 1.344 63.778 62.300 0.222 0.000 1.082 119 V CB -0.731 31.180 31.823 0.147 0.000 0.680 119 V HN 0.336 nan 8.190 nan 0.000 0.469 120 M N 0.638 120.289 119.600 0.085 0.000 2.086 120 M HA -0.165 4.315 4.480 0.000 0.000 0.261 120 M C 2.106 178.376 176.300 -0.050 0.000 1.067 120 M CA 2.126 57.449 55.300 0.038 0.000 1.116 120 M CB -0.665 31.963 32.600 0.047 0.000 1.348 120 M HN 0.509 nan 8.290 nan 0.000 0.407 121 E N -0.959 119.139 120.200 -0.170 0.000 2.048 121 E HA -0.290 4.060 4.350 0.000 0.000 0.202 121 E C 1.942 178.328 176.600 -0.356 0.000 1.021 121 E CA 2.372 58.548 56.400 -0.374 0.000 0.825 121 E CB -0.602 28.759 29.700 -0.565 0.000 0.756 121 E HN 0.671 nan 8.360 nan 0.000 0.454 122 Y N 0.364 120.631 120.300 -0.055 0.000 2.114 122 Y HA -0.238 4.312 4.550 0.000 0.000 0.282 122 Y C 2.476 178.358 175.900 -0.032 0.000 1.165 122 Y CA 1.079 59.154 58.100 -0.042 0.000 1.148 122 Y CB -0.672 37.772 38.460 -0.026 0.000 0.972 122 Y HN 0.223 nan 8.280 nan 0.000 0.504 123 L N 0.557 121.853 121.223 0.121 0.000 1.990 123 L HA -0.239 4.101 4.340 0.000 0.000 0.213 123 L C 2.253 179.124 176.870 0.002 0.000 1.072 123 L CA 1.631 56.517 54.840 0.077 0.000 0.755 123 L CB -1.151 40.954 42.059 0.078 0.000 0.889 123 L HN 0.413 nan 8.230 nan 0.000 0.432 124 L N -0.547 120.647 121.223 -0.048 0.000 1.989 124 L HA -0.267 4.073 4.340 0.000 0.000 0.211 124 L C 2.439 179.245 176.870 -0.107 0.000 1.071 124 L CA 1.943 56.728 54.840 -0.093 0.000 0.749 124 L CB -0.645 41.310 42.059 -0.173 0.000 0.890 124 L HN 0.443 nan 8.230 nan 0.000 0.431 125 N N -0.169 118.457 118.700 -0.123 0.000 2.061 125 N HA -0.199 4.541 4.740 0.000 0.000 0.193 125 N C 1.827 177.296 175.510 -0.067 0.000 1.030 125 N CA 1.986 54.974 53.050 -0.104 0.000 0.856 125 N CB -0.423 38.008 38.487 -0.093 0.000 1.023 125 N HN 0.279 nan 8.380 nan 0.000 0.424 126 V N 1.244 121.144 119.914 -0.023 0.000 2.287 126 V HA -0.243 3.877 4.120 0.000 0.000 0.248 126 V C 2.498 178.536 176.094 -0.093 0.000 1.053 126 V CA 2.356 64.650 62.300 -0.009 0.000 1.027 126 V CB -1.254 30.615 31.823 0.075 0.000 0.646 126 V HN 0.539 nan 8.190 nan 0.000 0.447 127 T N -2.159 112.290 114.554 -0.176 0.000 3.023 127 T HA -0.086 4.264 4.350 0.000 0.000 0.266 127 T C 1.427 176.107 174.700 -0.034 0.000 1.093 127 T CA 1.436 63.408 62.100 -0.214 0.000 1.129 127 T CB -0.275 68.404 68.868 -0.315 0.000 0.899 127 T HN 0.627 nan 8.240 nan 0.000 0.491 128 T N -2.160 112.357 114.554 -0.061 0.000 3.170 128 T HA 0.710 5.060 4.350 0.000 0.000 0.288 128 T C 0.639 175.292 174.700 -0.079 0.000 0.992 128 T CA -0.024 62.052 62.100 -0.041 0.000 0.909 128 T CB 0.298 69.149 68.868 -0.029 0.000 1.133 128 T HN 0.428 nan 8.240 nan 0.000 0.530 129 A N 2.131 124.881 122.820 -0.116 0.000 2.758 129 A HA 0.508 4.828 4.320 0.000 0.000 0.223 129 A C -2.995 174.472 177.584 -0.195 0.000 0.877 129 A CA -0.825 51.132 52.037 -0.132 0.000 1.152 129 A CB 0.516 19.452 19.000 -0.108 0.000 1.239 129 A HN 0.396 nan 8.150 nan 0.000 0.470 130 P HA 0.180 nan 4.420 nan 0.000 0.276 130 P C 0.050 176.970 177.300 -0.633 0.000 1.235 130 P CA 0.369 63.118 63.100 -0.585 0.000 0.772 130 P CB 1.385 32.450 31.700 -1.059 0.000 0.871 131 E N 2.154 122.111 120.200 -0.405 0.000 2.340 131 E HA 0.074 4.424 4.350 0.000 0.000 0.194 131 E C 0.062 176.558 176.600 -0.174 0.000 0.996 131 E CA -0.206 56.079 56.400 -0.192 0.000 0.869 131 E CB -0.254 29.385 29.700 -0.102 0.000 0.835 131 E HN 0.495 nan 8.360 nan 0.000 0.493 132 F N 2.024 121.836 119.950 -0.231 0.000 2.738 132 F HA -0.280 4.247 4.527 0.000 0.000 0.232 132 F C 0.053 175.651 175.800 -0.337 0.000 1.025 132 F CA -0.318 57.476 58.000 -0.343 0.000 0.895 132 F CB -1.254 37.395 39.000 -0.585 0.000 0.839 132 F HN -0.009 nan 8.300 nan 0.000 0.850 133 R N 1.290 121.619 120.500 -0.284 0.000 2.489 133 R HA 0.026 4.366 4.340 0.000 0.000 0.287 133 R C -1.452 174.444 176.300 -0.673 0.000 1.053 133 R CA -1.317 54.362 56.100 -0.702 0.000 1.036 133 R CB 0.120 29.639 30.300 -1.302 0.000 0.966 133 R HN 0.016 nan 8.270 nan 0.000 0.432 134 P HA -0.243 nan 4.420 nan 0.000 0.217 134 P C 0.730 177.986 177.300 -0.074 0.000 1.158 134 P CA 1.646 64.648 63.100 -0.162 0.000 0.887 134 P CB -0.029 31.686 31.700 0.026 0.000 0.792 135 W N 0.108 121.416 121.300 0.013 0.000 2.413 135 W HA 0.023 4.683 4.660 0.000 0.000 0.315 135 W C 1.980 178.498 176.519 -0.002 0.000 1.186 135 W CA 0.809 58.155 57.345 0.002 0.000 1.326 135 W CB -1.649 27.813 29.460 0.005 0.000 1.153 135 W HN -0.106 nan 8.180 nan 0.000 0.489 136 E N 0.928 120.967 120.200 -0.269 0.000 2.108 136 E HA -0.292 4.058 4.350 0.000 0.000 0.203 136 E C 2.159 178.705 176.600 -0.090 0.000 1.022 136 E CA 2.620 58.956 56.400 -0.107 0.000 0.823 136 E CB -0.592 28.982 29.700 -0.211 0.000 0.744 136 E HN 0.214 nan 8.360 nan 0.000 0.456 137 V N 0.872 120.689 119.914 -0.161 0.000 2.233 137 V HA -0.293 3.827 4.120 0.000 0.000 0.247 137 V C 2.394 178.428 176.094 -0.100 0.000 1.050 137 V CA 2.346 64.554 62.300 -0.153 0.000 1.010 137 V CB -0.937 30.768 31.823 -0.195 0.000 0.637 137 V HN 0.352 nan 8.190 nan 0.000 0.444 138 T N -0.367 114.152 114.554 -0.058 0.000 2.680 138 T HA -0.257 4.093 4.350 0.000 0.000 0.268 138 T C 1.516 176.209 174.700 -0.012 0.000 1.033 138 T CA 1.927 64.014 62.100 -0.021 0.000 1.152 138 T CB -0.400 68.489 68.868 0.035 0.000 0.859 138 T HN 0.493 nan 8.240 nan 0.000 0.452 139 D N 0.072 120.480 120.400 0.013 0.000 2.355 139 D HA 0.087 4.728 4.640 0.000 0.000 0.218 139 D C 1.726 178.015 176.300 -0.017 0.000 1.004 139 D CA 0.181 54.190 54.000 0.014 0.000 0.880 139 D CB 0.162 40.995 40.800 0.055 0.000 0.911 139 D HN 0.263 nan 8.370 nan 0.000 0.528 140 L N 0.449 121.644 121.223 -0.047 0.000 2.357 140 L HA 0.052 4.392 4.340 0.000 0.000 0.211 140 L C 2.063 178.872 176.870 -0.101 0.000 1.075 140 L CA 1.072 55.870 54.840 -0.071 0.000 0.830 140 L CB -0.150 41.854 42.059 -0.090 0.000 0.996 140 L HN -0.192 nan 8.230 nan 0.000 0.467 141 Q N 0.855 120.586 119.800 -0.115 0.000 2.133 141 Q HA -0.174 4.166 4.340 0.000 0.000 0.208 141 Q C -0.608 175.318 176.000 -0.123 0.000 0.991 141 Q CA 2.257 57.976 55.803 -0.140 0.000 0.867 141 Q CB -1.429 27.230 28.738 -0.132 0.000 0.911 141 Q HN 0.483 nan 8.270 nan 0.000 0.417 142 P HA -0.210 nan 4.420 nan 0.000 0.222 142 P C 1.015 178.265 177.300 -0.083 0.000 1.142 142 P CA 1.323 64.377 63.100 -0.077 0.000 0.788 142 P CB 0.129 31.797 31.700 -0.053 0.000 0.767 143 Q N 0.548 120.294 119.800 -0.090 0.000 2.084 143 Q HA -0.122 4.218 4.340 0.000 0.000 0.202 143 Q C 2.337 178.275 176.000 -0.103 0.000 0.978 143 Q CA 1.355 57.107 55.803 -0.085 0.000 0.844 143 Q CB -1.215 27.474 28.738 -0.082 0.000 0.898 143 Q HN 0.203 nan 8.270 nan 0.000 0.426 144 L N 0.217 121.342 121.223 -0.163 0.000 2.051 144 L HA -0.281 4.059 4.340 0.000 0.000 0.214 144 L C 2.533 179.338 176.870 -0.109 0.000 1.076 144 L CA 1.898 56.616 54.840 -0.203 0.000 0.758 144 L CB -0.616 41.252 42.059 -0.318 0.000 0.890 144 L HN 0.247 nan 8.230 nan 0.000 0.433 145 K N -0.248 120.085 120.400 -0.112 0.000 2.074 145 K HA -0.197 4.123 4.320 0.000 0.000 0.209 145 K C 1.955 178.496 176.600 -0.099 0.000 1.048 145 K CA 1.604 57.828 56.287 -0.106 0.000 0.926 145 K CB -0.048 32.399 32.500 -0.089 0.000 0.713 145 K HN 0.092 nan 8.250 nan 0.000 0.444 146 V N 0.810 120.678 119.914 -0.077 0.000 2.231 146 V HA -0.224 3.896 4.120 0.000 0.000 0.240 146 V C 1.927 177.985 176.094 -0.060 0.000 1.039 146 V CA 2.189 64.451 62.300 -0.063 0.000 0.998 146 V CB -0.554 31.241 31.823 -0.047 0.000 0.639 146 V HN 0.442 nan 8.190 nan 0.000 0.451 147 D N 0.060 120.439 120.400 -0.035 0.000 2.172 147 D HA -0.289 4.351 4.640 0.000 0.000 0.196 147 D C 2.135 178.387 176.300 -0.081 0.000 0.999 147 D CA 1.975 55.972 54.000 -0.005 0.000 0.856 147 D CB -0.153 40.704 40.800 0.094 0.000 0.934 147 D HN 0.418 nan 8.370 nan 0.000 0.453 148 K N -0.742 119.594 120.400 -0.107 0.000 2.155 148 K HA 0.040 4.360 4.320 0.000 0.000 0.203 148 K C 1.918 178.345 176.600 -0.288 0.000 1.052 148 K CA 0.963 57.072 56.287 -0.298 0.000 0.948 148 K CB -0.094 32.268 32.500 -0.231 0.000 0.728 148 K HN 0.142 nan 8.250 nan 0.000 0.448 149 A N 0.793 123.503 122.820 -0.184 0.000 2.014 149 A HA -0.055 4.265 4.320 0.000 0.000 0.218 149 A C 2.107 179.662 177.584 -0.048 0.000 1.163 149 A CA 1.311 53.272 52.037 -0.126 0.000 0.652 149 A CB -0.495 18.446 19.000 -0.098 0.000 0.808 149 A HN 0.281 nan 8.150 nan 0.000 0.449 150 V N -2.890 116.993 119.914 -0.053 0.000 2.591 150 V HA 0.129 4.249 4.120 0.000 0.000 0.249 150 V C 2.344 178.430 176.094 -0.014 0.000 1.053 150 V CA 1.581 63.868 62.300 -0.023 0.000 1.068 150 V CB -0.921 30.889 31.823 -0.022 0.000 0.689 150 V HN 0.428 nan 8.190 nan 0.000 0.462 151 A N 0.133 122.921 122.820 -0.054 0.000 1.873 151 A HA 0.013 4.333 4.320 0.000 0.000 0.215 151 A C 1.796 179.384 177.584 0.006 0.000 1.186 151 A CA 1.695 53.692 52.037 -0.066 0.000 0.616 151 A CB -0.957 17.853 19.000 -0.317 0.000 0.823 151 A HN 0.555 nan 8.150 nan 0.000 0.442 152 F N 1.005 120.832 119.950 -0.205 0.000 2.773 152 F HA -0.022 4.505 4.527 0.000 0.000 0.299 152 F C 2.263 178.011 175.800 -0.087 0.000 1.204 152 F CA 0.600 58.520 58.000 -0.133 0.000 1.454 152 F CB -0.354 38.566 39.000 -0.132 0.000 1.117 152 F HN 0.378 nan 8.300 nan 0.000 0.590 153 Q N -0.854 118.987 119.800 0.069 0.000 2.297 153 Q HA -0.006 4.334 4.340 0.000 0.000 0.204 153 Q C 0.451 176.455 176.000 0.008 0.000 0.962 153 Q CA 0.611 56.440 55.803 0.043 0.000 0.879 153 Q CB 0.002 28.760 28.738 0.032 0.000 0.947 153 Q HN 0.169 nan 8.270 nan 0.000 0.462 154 S N 2.015 117.694 115.700 -0.034 0.000 2.410 154 S HA 0.166 4.636 4.470 0.000 0.000 0.304 154 S C -2.010 172.499 174.600 -0.152 0.000 1.095 154 S CA -1.152 57.013 58.200 -0.059 0.000 1.089 154 S CB 1.315 64.489 63.200 -0.045 0.000 0.968 154 S HN 0.034 nan 8.310 nan 0.000 0.480 155 P HA -0.213 nan 4.420 nan 0.000 0.218 155 P C 1.726 178.809 177.300 -0.361 0.000 1.146 155 P CA 0.770 63.623 63.100 -0.411 0.000 0.813 155 P CB 0.145 31.398 31.700 -0.745 0.000 0.778 156 Q N 0.039 119.728 119.800 -0.185 0.000 2.082 156 Q HA -0.226 4.114 4.340 0.000 0.000 0.211 156 Q C 1.976 177.913 176.000 -0.106 0.000 1.002 156 Q CA 2.147 57.938 55.803 -0.019 0.000 0.868 156 Q CB -0.903 27.823 28.738 -0.021 0.000 0.931 156 Q HN 0.143 nan 8.270 nan 0.000 0.414 157 V N 0.361 120.158 119.914 -0.195 0.000 2.548 157 V HA -0.084 4.036 4.120 0.000 0.000 0.249 157 V C 2.122 177.950 176.094 -0.443 0.000 1.055 157 V CA 2.111 64.245 62.300 -0.276 0.000 1.065 157 V CB -0.648 30.990 31.823 -0.309 0.000 0.681 157 V HN 0.580 nan 8.190 nan 0.000 0.462 158 G N 0.085 108.571 108.800 -0.523 0.000 2.421 158 G HA2 -0.229 3.731 3.960 0.000 0.000 0.216 158 G HA3 -0.229 3.731 3.960 0.000 0.000 0.216 158 G C 1.720 176.505 174.900 -0.193 0.000 1.171 158 G CA 1.674 46.496 45.100 -0.463 0.000 0.775 158 G HN 0.734 nan 8.290 nan 0.000 0.543 159 V N -0.626 119.211 119.914 -0.127 0.000 2.358 159 V HA 0.005 4.126 4.120 0.000 0.000 0.246 159 V C 2.717 178.808 176.094 -0.005 0.000 1.047 159 V CA 1.309 63.579 62.300 -0.049 0.000 1.035 159 V CB -0.677 31.135 31.823 -0.018 0.000 0.658 159 V HN 0.307 nan 8.190 nan 0.000 0.452 160 L N -0.259 120.967 121.223 0.005 0.000 2.079 160 L HA -0.122 4.218 4.340 0.000 0.000 0.210 160 L C 3.099 180.040 176.870 0.117 0.000 1.081 160 L CA 1.922 56.805 54.840 0.071 0.000 0.752 160 L CB -0.792 41.294 42.059 0.045 0.000 0.896 160 L HN 0.389 nan 8.230 nan 0.000 0.433 161 E N 0.286 120.494 120.200 0.013 0.000 2.031 161 E HA -0.175 4.175 4.350 0.000 0.000 0.193 161 E C 1.896 178.567 176.600 0.119 0.000 0.994 161 E CA 1.028 57.456 56.400 0.046 0.000 0.800 161 E CB -0.347 29.396 29.700 0.072 0.000 0.752 161 E HN 0.501 nan 8.360 nan 0.000 0.447 162 N N 0.978 119.731 118.700 0.088 0.000 2.381 162 N HA -0.121 4.619 4.740 0.000 0.000 0.182 162 N C 1.886 177.451 175.510 0.092 0.000 1.025 162 N CA 0.288 53.393 53.050 0.091 0.000 0.888 162 N CB -0.156 38.359 38.487 0.046 0.000 0.965 162 N HN 0.078 nan 8.380 nan 0.000 0.438 163 L N 1.149 122.437 121.223 0.109 0.000 1.961 163 L HA -0.130 4.210 4.340 0.000 0.000 0.209 163 L C 1.801 178.769 176.870 0.164 0.000 1.075 163 L CA 1.916 56.806 54.840 0.084 0.000 0.749 163 L CB -1.059 41.047 42.059 0.079 0.000 0.890 163 L HN 0.107 nan 8.230 nan 0.000 0.433 164 H N -0.358 118.805 119.070 0.156 0.000 2.431 164 H HA -0.159 4.397 4.556 0.000 0.000 0.297 164 H C 2.083 177.562 175.328 0.252 0.000 1.115 164 H CA 1.539 57.734 56.048 0.246 0.000 1.277 164 H CB -0.619 29.226 29.762 0.139 0.000 1.372 164 H HN 0.539 nan 8.280 nan 0.000 0.516 165 A N 0.266 123.264 122.820 0.295 0.000 1.930 165 A HA 0.037 4.357 4.320 0.000 0.000 0.217 165 A C 2.435 180.212 177.584 0.321 0.000 1.175 165 A CA 1.423 53.626 52.037 0.277 0.000 0.627 165 A CB -0.679 18.453 19.000 0.220 0.000 0.815 165 A HN 0.461 nan 8.150 nan 0.000 0.443 166 A N -0.971 121.926 122.820 0.128 0.000 2.132 166 A HA 0.500 4.820 4.320 0.000 0.000 0.213 166 A C 2.145 179.570 177.584 -0.265 0.000 1.154 166 A CA 1.197 53.138 52.037 -0.160 0.000 0.753 166 A CB -0.426 18.408 19.000 -0.277 0.000 0.826 166 A HN 0.846 nan 8.150 nan 0.000 0.469 167 A N -1.626 121.117 122.820 -0.128 0.000 2.081 167 A HA 0.457 4.777 4.320 0.000 0.000 0.214 167 A C 0.550 177.681 177.584 -0.756 0.000 1.158 167 A CA 0.518 52.250 52.037 -0.508 0.000 0.724 167 A CB -0.079 18.748 19.000 -0.289 0.000 0.826 167 A HN 0.432 nan 8.150 nan 0.000 0.463 168 Y N -1.966 118.319 120.300 -0.024 0.000 2.665 168 Y HA 0.503 5.053 4.550 0.000 0.000 0.336 168 Y C 0.833 176.829 175.900 0.159 0.000 1.085 168 Y CA -0.997 57.129 58.100 0.043 0.000 1.096 168 Y CB 1.459 39.938 38.460 0.031 0.000 1.301 168 Y HN -0.137 nan 8.280 nan 0.000 0.493 169 K N -0.330 120.204 120.400 0.224 0.000 2.402 169 K HA 0.288 4.608 4.320 0.000 0.000 0.203 169 K C -0.487 176.142 176.600 0.049 0.000 1.077 169 K CA 0.524 56.830 56.287 0.031 0.000 1.051 169 K CB 0.947 33.404 32.500 -0.071 0.000 0.907 169 K HN 0.860 nan 8.250 nan 0.000 0.554 170 T N -3.839 110.787 114.554 0.119 0.000 2.647 170 T HA 0.497 4.847 4.350 0.000 0.000 0.302 170 T C 0.815 175.528 174.700 0.022 0.000 1.389 170 T CA -0.353 61.782 62.100 0.059 0.000 1.037 170 T CB 0.600 69.487 68.868 0.033 0.000 1.755 170 T HN -0.090 nan 8.240 nan 0.000 0.467 171 A N 0.554 123.357 122.820 -0.028 0.000 1.833 171 A HA -0.291 4.029 4.320 0.000 0.000 0.360 171 A C 1.951 179.432 177.584 -0.171 0.000 5.277 171 A CA 3.024 54.999 52.037 -0.102 0.000 1.033 171 A CB -2.256 16.662 19.000 -0.136 0.000 0.922 171 A HN 0.967 nan 8.150 nan 0.000 0.549 172 L N -1.272 119.746 121.223 -0.343 0.000 2.156 172 L HA 0.018 4.358 4.340 0.000 0.000 0.208 172 L C 2.985 179.696 176.870 -0.265 0.000 1.095 172 L CA 1.053 55.571 54.840 -0.536 0.000 0.770 172 L CB -0.586 40.724 42.059 -1.248 0.000 0.914 172 L HN 0.692 nan 8.230 nan 0.000 0.439 173 A N -0.390 122.376 122.820 -0.090 0.000 2.178 173 A HA -0.119 4.201 4.320 0.000 0.000 0.218 173 A C 0.790 178.427 177.584 0.089 0.000 1.157 173 A CA 0.703 52.825 52.037 0.141 0.000 0.689 173 A CB -0.701 18.439 19.000 0.233 0.000 0.787 173 A HN 0.357 nan 8.150 nan 0.000 0.465 174 N N 1.568 120.277 118.700 0.015 0.000 2.431 174 N HA 0.202 4.942 4.740 0.000 0.000 0.265 174 N C -2.629 172.871 175.510 -0.016 0.000 1.184 174 N CA -1.570 51.489 53.050 0.015 0.000 0.943 174 N CB 0.437 38.929 38.487 0.009 0.000 1.080 174 N HN 0.304 nan 8.380 nan 0.000 0.477 175 P HA -0.124 nan 4.420 nan 0.000 0.266 175 P C 0.792 178.041 177.300 -0.085 0.000 1.186 175 P CA -0.333 62.764 63.100 -0.004 0.000 0.767 175 P CB 0.932 32.674 31.700 0.070 0.000 0.820 176 L N 2.438 123.554 121.223 -0.179 0.000 2.341 176 L HA 0.144 4.484 4.340 0.000 0.000 0.214 176 L C 0.314 176.838 176.870 -0.578 0.000 1.115 176 L CA 0.637 55.246 54.840 -0.385 0.000 0.820 176 L CB -0.973 40.773 42.059 -0.522 0.000 0.944 176 L HN 0.274 nan 8.230 nan 0.000 0.452 177 Y N -1.454 118.780 120.300 -0.110 0.000 2.341 177 Y HA 0.287 4.837 4.550 0.000 0.000 0.338 177 Y C 0.530 176.465 175.900 0.058 0.000 0.965 177 Y CA -1.034 56.962 58.100 -0.175 0.000 1.108 177 Y CB 1.082 39.529 38.460 -0.021 0.000 1.180 177 Y HN -0.153 nan 8.280 nan 0.000 0.458 178 C N 7.980 127.574 119.300 0.490 0.000 2.298 178 C HA 0.019 4.479 4.460 0.000 0.000 0.395 178 C C -1.736 173.270 174.990 0.027 0.000 1.526 178 C CA -1.366 57.757 59.018 0.175 0.000 1.458 178 C CB -0.746 27.030 27.740 0.060 0.000 2.506 178 C HN 0.514 nan 8.230 nan 0.000 0.604 179 P HA 0.087 nan 4.420 nan 0.000 0.267 179 P C 0.539 177.713 177.300 -0.209 0.000 1.200 179 P CA 0.359 63.376 63.100 -0.137 0.000 0.772 179 P CB 0.577 32.158 31.700 -0.197 0.000 0.855 180 D N 1.817 122.146 120.400 -0.119 0.000 2.127 180 D HA -0.234 4.406 4.640 0.000 0.000 0.190 180 D C 1.825 178.080 176.300 -0.075 0.000 1.000 180 D CA 1.919 55.864 54.000 -0.092 0.000 0.839 180 D CB -1.177 39.598 40.800 -0.043 0.000 0.955 180 D HN 0.616 nan 8.370 nan 0.000 0.446 181 Y N 0.635 120.917 120.300 -0.030 0.000 2.365 181 Y HA -0.084 4.466 4.550 0.000 0.000 0.287 181 Y C 1.808 177.690 175.900 -0.030 0.000 1.162 181 Y CA 1.156 59.240 58.100 -0.026 0.000 1.260 181 Y CB -0.533 37.917 38.460 -0.016 0.000 0.976 181 Y HN -0.138 nan 8.280 nan 0.000 0.548 182 R N 0.506 120.664 120.500 -0.570 0.000 2.317 182 R HA 0.157 4.497 4.340 0.000 0.000 0.208 182 R C -0.093 176.081 176.300 -0.210 0.000 0.914 182 R CA -0.215 55.641 56.100 -0.407 0.000 1.060 182 R CB 0.127 30.076 30.300 -0.585 0.000 1.015 182 R HN 0.235 nan 8.270 nan 0.000 0.498 183 I N 1.254 121.723 120.570 -0.168 0.000 2.598 183 I HA -0.008 4.162 4.170 0.000 0.000 0.284 183 I C 1.386 177.444 176.117 -0.099 0.000 1.140 183 I CA 1.038 62.256 61.300 -0.138 0.000 1.420 183 I CB 0.201 38.130 38.000 -0.118 0.000 1.387 183 I HN 0.469 nan 8.210 nan 0.000 0.553 184 G N 5.862 114.596 108.800 -0.110 0.000 2.143 184 G HA2 -0.302 3.658 3.960 0.000 0.000 0.248 184 G HA3 -0.302 3.658 3.960 0.000 0.000 0.248 184 G C 0.853 175.713 174.900 -0.067 0.000 0.991 184 G CA 0.178 45.228 45.100 -0.083 0.000 0.689 184 G HN 0.663 nan 8.290 nan 0.000 0.522 185 K N -0.792 119.562 120.400 -0.077 0.000 2.438 185 K HA 0.373 4.693 4.320 0.000 0.000 0.206 185 K C 0.978 177.535 176.600 -0.072 0.000 1.081 185 K CA -0.331 55.925 56.287 -0.052 0.000 1.053 185 K CB 0.654 33.145 32.500 -0.015 0.000 0.908 185 K HN 0.463 nan 8.250 nan 0.000 0.556 186 I N 1.970 122.472 120.570 -0.112 0.000 2.638 186 I HA 0.019 4.189 4.170 0.000 0.000 0.286 186 I C 0.747 176.783 176.117 -0.135 0.000 1.088 186 I CA -0.061 61.156 61.300 -0.137 0.000 1.397 186 I CB 1.210 39.095 38.000 -0.192 0.000 1.414 186 I HN 0.038 nan 8.210 nan 0.000 0.566 187 T N 0.110 114.582 114.554 -0.136 0.000 2.924 187 T HA 0.274 4.624 4.350 0.000 0.000 0.291 187 T C 0.719 175.328 174.700 -0.151 0.000 1.045 187 T CA -0.752 61.274 62.100 -0.123 0.000 1.015 187 T CB 1.752 70.569 68.868 -0.086 0.000 1.103 187 T HN 0.461 nan 8.240 nan 0.000 0.496 188 S N 0.617 116.249 115.700 -0.113 0.000 2.387 188 S HA -0.133 4.337 4.470 0.000 0.000 0.230 188 S C 1.821 176.432 174.600 0.020 0.000 1.035 188 S CA 1.717 59.865 58.200 -0.087 0.000 1.014 188 S CB -0.536 62.668 63.200 0.008 0.000 0.836 188 S HN 0.836 nan 8.310 nan 0.000 0.466 189 E N 1.476 121.679 120.200 0.004 0.000 2.023 189 E HA -0.147 4.203 4.350 0.000 0.000 0.196 189 E C 2.305 178.770 176.600 -0.224 0.000 1.003 189 E CA 1.259 57.609 56.400 -0.082 0.000 0.809 189 E CB -0.410 29.150 29.700 -0.233 0.000 0.755 189 E HN 0.526 nan 8.360 nan 0.000 0.449 190 Q N -0.114 119.552 119.800 -0.222 0.000 2.173 190 Q HA -0.197 4.143 4.340 0.000 0.000 0.208 190 Q C 2.302 178.282 176.000 -0.033 0.000 0.989 190 Q CA 1.235 56.959 55.803 -0.132 0.000 0.872 190 Q CB -0.263 28.409 28.738 -0.110 0.000 0.909 190 Q HN 0.306 nan 8.270 nan 0.000 0.420 191 L N -0.903 120.235 121.223 -0.141 0.000 2.027 191 L HA -0.206 4.134 4.340 0.000 0.000 0.206 191 L C 2.205 179.177 176.870 0.171 0.000 1.074 191 L CA 1.445 56.141 54.840 -0.241 0.000 0.745 191 L CB -0.568 40.934 42.059 -0.928 0.000 0.898 191 L HN 0.327 nan 8.230 nan 0.000 0.433 192 H N -1.417 117.854 119.070 0.336 0.000 2.267 192 H HA -0.203 4.353 4.556 0.000 0.000 0.297 192 H C 2.440 177.947 175.328 0.297 0.000 1.080 192 H CA 1.898 58.150 56.048 0.340 0.000 1.278 192 H CB 0.035 29.962 29.762 0.275 0.000 1.365 192 H HN 0.302 nan 8.280 nan 0.000 0.489 193 H N -0.578 118.626 119.070 0.223 0.000 2.265 193 H HA -0.171 4.385 4.556 0.000 0.000 0.295 193 H C 2.084 177.465 175.328 0.089 0.000 1.084 193 H CA 1.543 57.664 56.048 0.122 0.000 1.261 193 H CB -1.029 28.796 29.762 0.104 0.000 1.360 193 H HN 0.300 nan 8.280 nan 0.000 0.487 194 F N 0.773 120.803 119.950 0.133 0.000 2.115 194 F HA -0.286 4.241 4.527 0.000 0.000 0.300 194 F C 2.271 178.025 175.800 -0.077 0.000 1.092 194 F CA 1.304 59.319 58.000 0.026 0.000 1.245 194 F CB -0.380 38.600 39.000 -0.033 0.000 0.995 194 F HN -0.051 nan 8.300 nan 0.000 0.481 195 V N 0.265 120.198 119.914 0.033 0.000 2.239 195 V HA -0.312 3.808 4.120 0.000 0.000 0.242 195 V C 2.237 178.246 176.094 -0.141 0.000 1.038 195 V CA 2.249 64.357 62.300 -0.320 0.000 1.002 195 V CB -0.912 30.733 31.823 -0.297 0.000 0.641 195 V HN 0.347 nan 8.190 nan 0.000 0.449 196 Q N 0.413 120.198 119.800 -0.025 0.000 2.217 196 Q HA -0.236 4.104 4.340 0.000 0.000 0.209 196 Q C 1.750 177.735 176.000 -0.026 0.000 0.988 196 Q CA 1.672 57.467 55.803 -0.014 0.000 0.878 196 Q CB -0.343 28.383 28.738 -0.020 0.000 0.909 196 Q HN 0.624 nan 8.270 nan 0.000 0.424 197 N N -0.432 118.233 118.700 -0.059 0.000 2.373 197 N HA 0.032 4.772 4.740 0.000 0.000 0.181 197 N C 0.724 176.184 175.510 -0.083 0.000 1.082 197 N CA 0.442 53.450 53.050 -0.068 0.000 0.885 197 N CB 0.325 38.766 38.487 -0.077 0.000 0.977 197 N HN 0.334 nan 8.380 nan 0.000 0.462 198 N N -0.311 118.331 118.700 -0.097 0.000 2.474 198 N HA 0.072 4.812 4.740 0.000 0.000 0.224 198 N C -0.310 175.321 175.510 0.202 0.000 1.092 198 N CA 0.030 53.049 53.050 -0.052 0.000 0.844 198 N CB 0.118 38.406 38.487 -0.332 0.000 1.381 198 N HN -0.024 nan 8.380 nan 0.000 0.458 199 F N 3.272 123.169 119.950 -0.089 0.000 2.666 199 F HA 0.170 4.697 4.527 0.000 0.000 0.362 199 F C 0.955 176.736 175.800 -0.031 0.000 1.190 199 F CA -0.635 57.342 58.000 -0.039 0.000 1.328 199 F CB -1.144 37.846 39.000 -0.017 0.000 1.682 199 F HN -0.182 nan 8.300 nan 0.000 0.623 200 T N -3.398 111.226 114.554 0.118 0.000 2.824 200 T HA 0.266 4.616 4.350 0.000 0.000 0.280 200 T C 1.316 176.042 174.700 0.043 0.000 0.995 200 T CA -0.173 61.967 62.100 0.067 0.000 1.009 200 T CB 1.688 70.583 68.868 0.046 0.000 0.955 200 T HN 0.312 nan 8.240 nan 0.000 0.452 201 S N 2.368 118.091 115.700 0.037 0.000 2.434 201 S HA -0.254 4.216 4.470 0.000 0.000 0.243 201 S C 1.922 176.539 174.600 0.027 0.000 1.045 201 S CA 1.127 59.344 58.200 0.029 0.000 1.019 201 S CB -0.973 62.244 63.200 0.027 0.000 0.811 201 S HN 1.207 nan 8.310 nan 0.000 0.485 202 A N 0.678 123.515 122.820 0.029 0.000 2.307 202 A HA 0.377 4.697 4.320 0.000 0.000 0.218 202 A C 1.894 179.498 177.584 0.033 0.000 1.228 202 A CA -0.160 51.895 52.037 0.030 0.000 0.857 202 A CB -0.081 18.937 19.000 0.030 0.000 0.897 202 A HN 0.639 nan 8.150 nan 0.000 0.495 203 R N -1.377 119.140 120.500 0.028 0.000 2.509 203 R HA 0.403 4.743 4.340 0.000 0.000 0.297 203 R C -0.447 175.857 176.300 0.008 0.000 0.951 203 R CA 0.024 56.138 56.100 0.024 0.000 1.103 203 R CB 0.411 30.720 30.300 0.015 0.000 1.283 203 R HN 0.399 nan 8.270 nan 0.000 0.534 204 M N 0.506 120.113 119.600 0.012 0.000 2.528 204 M HA 0.600 5.080 4.480 0.000 0.000 0.321 204 M C -0.910 175.419 176.300 0.048 0.000 1.153 204 M CA -0.809 54.500 55.300 0.016 0.000 0.951 204 M CB 2.485 35.079 32.600 -0.010 0.000 1.705 204 M HN -0.031 nan 8.290 nan 0.000 0.451 205 A N 2.199 125.074 122.820 0.092 0.000 2.422 205 A HA 0.736 5.056 4.320 0.000 0.000 0.302 205 A C -1.446 176.228 177.584 0.150 0.000 1.041 205 A CA -0.589 51.503 52.037 0.090 0.000 0.708 205 A CB 1.310 20.337 19.000 0.045 0.000 1.257 205 A HN 0.779 nan 8.150 nan 0.000 0.414 206 L N 3.993 125.276 121.223 0.099 0.000 2.657 206 L HA 0.425 4.765 4.340 0.000 0.000 0.239 206 L C -0.487 176.445 176.870 0.104 0.000 1.215 206 L CA -0.132 54.776 54.840 0.113 0.000 1.161 206 L CB 0.002 42.096 42.059 0.057 0.000 1.436 206 L HN 0.425 nan 8.230 nan 0.000 0.414 207 V N 1.451 121.458 119.914 0.156 0.000 2.843 207 V HA 0.603 4.723 4.120 0.000 0.000 0.305 207 V C 1.017 177.193 176.094 0.136 0.000 1.065 207 V CA 0.183 62.534 62.300 0.084 0.000 1.116 207 V CB 0.783 32.568 31.823 -0.064 0.000 0.968 207 V HN 0.763 nan 8.190 nan 0.000 0.487 208 G N 4.263 113.110 108.800 0.078 0.000 2.354 208 G HA2 0.539 4.499 3.960 0.000 0.000 0.285 208 G HA3 0.539 4.499 3.960 0.000 0.000 0.285 208 G C -0.995 173.929 174.900 0.040 0.000 1.390 208 G CA -0.589 44.553 45.100 0.070 0.000 1.231 208 G HN 0.570 nan 8.290 nan 0.000 0.603 209 I N 1.408 122.005 120.570 0.044 0.000 2.519 209 I HA 0.429 4.599 4.170 0.000 0.000 0.287 209 I C 1.406 177.522 176.117 -0.002 0.000 1.047 209 I CA 0.867 62.178 61.300 0.018 0.000 1.381 209 I CB 1.509 39.527 38.000 0.029 0.000 1.417 209 I HN 0.903 nan 8.210 nan 0.000 0.540 210 G N 4.474 113.252 108.800 -0.038 0.000 2.137 210 G HA2 -0.140 3.820 3.960 0.000 0.000 0.237 210 G HA3 -0.140 3.820 3.960 0.000 0.000 0.237 210 G C -0.243 174.602 174.900 -0.092 0.000 1.002 210 G CA 0.073 45.132 45.100 -0.068 0.000 0.702 210 G HN 0.820 nan 8.290 nan 0.000 0.515 211 V N -4.097 115.763 119.914 -0.090 0.000 3.188 211 V HA 0.802 4.922 4.120 0.000 0.000 0.305 211 V C 0.102 176.146 176.094 -0.084 0.000 1.232 211 V CA -1.438 60.811 62.300 -0.085 0.000 1.043 211 V CB 1.909 33.706 31.823 -0.043 0.000 1.068 211 V HN 0.406 nan 8.190 nan 0.000 0.439 212 K N 0.475 120.830 120.400 -0.074 0.000 2.312 212 K HA 0.236 4.556 4.320 0.000 0.000 0.287 212 K C 1.002 177.604 176.600 0.004 0.000 1.062 212 K CA -0.123 56.141 56.287 -0.038 0.000 0.934 212 K CB 0.410 32.889 32.500 -0.036 0.000 1.027 212 K HN 0.971 nan 8.250 nan 0.000 0.478 213 H N 2.421 121.463 119.070 -0.048 0.000 2.357 213 H HA -0.228 4.328 4.556 0.000 0.000 0.296 213 H C 1.863 177.176 175.328 -0.025 0.000 1.108 213 H CA 2.845 58.873 56.048 -0.033 0.000 1.273 213 H CB 0.246 29.989 29.762 -0.031 0.000 1.367 213 H HN 0.777 nan 8.280 nan 0.000 0.498 214 S N -0.391 115.332 115.700 0.039 0.000 2.368 214 S HA -0.190 4.280 4.470 0.000 0.000 0.225 214 S C 1.844 176.403 174.600 -0.070 0.000 1.030 214 S CA 1.390 59.584 58.200 -0.010 0.000 0.999 214 S CB -0.162 63.047 63.200 0.015 0.000 0.844 214 S HN 0.488 nan 8.310 nan 0.000 0.459 215 D N 1.598 121.962 120.400 -0.060 0.000 2.084 215 D HA -0.053 4.588 4.640 0.000 0.000 0.194 215 D C 1.961 178.214 176.300 -0.078 0.000 0.990 215 D CA 1.120 55.085 54.000 -0.059 0.000 0.826 215 D CB -0.514 40.263 40.800 -0.039 0.000 0.971 215 D HN 0.366 nan 8.370 nan 0.000 0.453 216 L N 1.352 122.508 121.223 -0.113 0.000 2.191 216 L HA -0.129 4.211 4.340 0.000 0.000 0.212 216 L C 2.070 178.847 176.870 -0.155 0.000 1.103 216 L CA 1.628 56.396 54.840 -0.120 0.000 0.769 216 L CB -0.418 41.550 42.059 -0.150 0.000 0.908 216 L HN -0.116 nan 8.230 nan 0.000 0.438 217 K N -0.895 119.368 120.400 -0.229 0.000 2.007 217 K HA -0.230 4.090 4.320 0.000 0.000 0.206 217 K C 2.177 178.711 176.600 -0.110 0.000 1.047 217 K CA 1.496 57.670 56.287 -0.188 0.000 0.937 217 K CB -0.294 32.093 32.500 -0.189 0.000 0.718 217 K HN 0.473 nan 8.250 nan 0.000 0.438 218 Q N 0.546 120.279 119.800 -0.111 0.000 2.248 218 Q HA -0.167 4.173 4.340 0.000 0.000 0.208 218 Q C 1.731 177.624 176.000 -0.178 0.000 0.984 218 Q CA 1.596 57.318 55.803 -0.136 0.000 0.875 218 Q CB 0.088 28.747 28.738 -0.132 0.000 0.910 218 Q HN 0.242 nan 8.270 nan 0.000 0.433 219 V N 0.599 120.462 119.914 -0.085 0.000 2.239 219 V HA -0.222 3.898 4.120 0.000 0.000 0.242 219 V C 2.380 178.532 176.094 0.096 0.000 1.038 219 V CA 1.591 63.920 62.300 0.048 0.000 1.002 219 V CB -1.336 30.567 31.823 0.134 0.000 0.641 219 V HN 0.532 nan 8.190 nan 0.000 0.449 220 A N 1.153 124.001 122.820 0.047 0.000 1.859 220 A HA -0.362 3.958 4.320 0.000 0.000 0.218 220 A C 2.103 179.714 177.584 0.045 0.000 1.242 220 A CA 2.907 54.973 52.037 0.049 0.000 0.661 220 A CB -1.006 17.999 19.000 0.008 0.000 0.842 220 A HN 0.805 nan 8.150 nan 0.000 0.455 221 E N -0.640 119.557 120.200 -0.005 0.000 2.002 221 E HA -0.326 4.025 4.350 0.000 0.000 0.213 221 E C 1.889 178.479 176.600 -0.017 0.000 1.024 221 E CA 1.387 57.779 56.400 -0.014 0.000 0.876 221 E CB -0.667 29.009 29.700 -0.039 0.000 0.799 221 E HN 0.660 nan 8.360 nan 0.000 0.497 222 Q N -0.550 119.189 119.800 -0.101 0.000 2.594 222 Q HA -0.039 4.301 4.340 0.000 0.000 0.215 222 Q C 0.167 176.085 176.000 -0.135 0.000 0.962 222 Q CA 0.617 56.318 55.803 -0.170 0.000 1.003 222 Q CB -0.167 28.383 28.738 -0.314 0.000 1.000 222 Q HN 0.482 nan 8.270 nan 0.000 0.571 223 F N -2.227 117.709 119.950 -0.023 0.000 2.300 223 F HA 0.150 4.677 4.527 0.000 0.000 0.307 223 F C 0.058 175.843 175.800 -0.025 0.000 0.847 223 F CA -0.711 57.273 58.000 -0.027 0.000 1.076 223 F CB 0.757 39.738 39.000 -0.032 0.000 1.075 223 F HN -0.118 nan 8.300 nan 0.000 0.702 224 L N 2.595 123.924 121.223 0.177 0.000 2.360 224 L HA 0.160 4.500 4.340 0.000 0.000 0.276 224 L C 0.254 177.159 176.870 0.057 0.000 1.121 224 L CA 0.133 55.022 54.840 0.082 0.000 0.845 224 L CB 0.352 42.447 42.059 0.060 0.000 1.143 224 L HN 0.286 nan 8.230 nan 0.000 0.452 225 N N 2.432 121.153 118.700 0.034 0.000 2.325 225 N HA 0.257 4.997 4.740 0.000 0.000 0.220 225 N C 0.341 175.859 175.510 0.014 0.000 1.176 225 N CA -0.014 53.050 53.050 0.024 0.000 0.861 225 N CB 0.954 39.453 38.487 0.020 0.000 1.230 225 N HN 0.415 nan 8.380 nan 0.000 0.479 226 I N 2.619 123.196 120.570 0.012 0.000 2.587 226 I HA 0.012 4.182 4.170 0.000 0.000 0.284 226 I C 0.634 176.766 176.117 0.025 0.000 1.134 226 I CA 0.606 61.914 61.300 0.014 0.000 1.410 226 I CB 0.384 38.399 38.000 0.024 0.000 1.392 226 I HN -0.041 nan 8.210 nan 0.000 0.545 227 R N 3.193 123.704 120.500 0.019 0.000 3.176 227 R HA 0.451 4.791 4.340 0.000 0.000 0.247 227 R C -0.442 175.869 176.300 0.019 0.000 1.382 227 R CA -0.662 55.450 56.100 0.021 0.000 1.040 227 R CB 0.954 31.264 30.300 0.017 0.000 1.426 227 R HN 0.730 nan 8.270 nan 0.000 0.485 228 S N -0.450 115.261 115.700 0.018 0.000 4.095 228 S HA -0.001 4.469 4.470 0.000 0.000 0.686 228 S C 0.377 174.987 174.600 0.017 0.000 1.195 228 S CA 0.289 58.499 58.200 0.016 0.000 0.913 228 S CB -0.906 62.301 63.200 0.012 0.000 1.471 228 S HN 1.311 nan 8.310 nan 0.000 0.343 229 G N 1.556 110.368 108.800 0.019 0.000 2.592 229 G HA2 0.477 4.437 3.960 0.000 0.000 0.684 229 G HA3 0.477 4.437 3.960 0.000 0.000 0.684 229 G C 0.217 175.133 174.900 0.028 0.000 1.291 229 G CA 0.368 45.480 45.100 0.020 0.000 0.891 229 G HN 2.152 nan 8.290 nan 0.000 0.544 230 A N -0.668 122.171 122.820 0.031 0.000 2.259 230 A HA 0.757 5.077 4.320 0.000 0.000 0.213 230 A C 2.301 179.913 177.584 0.048 0.000 1.209 230 A CA 1.757 53.820 52.037 0.044 0.000 0.910 230 A CB -0.449 18.579 19.000 0.046 0.000 0.946 230 A HN 2.989 nan 8.150 nan 0.000 0.497 231 G N -0.303 108.516 108.800 0.031 0.000 2.622 231 G HA2 -0.226 3.734 3.960 0.000 0.000 0.272 231 G HA3 -0.226 3.734 3.960 0.000 0.000 0.272 231 G C 0.260 175.185 174.900 0.041 0.000 1.308 231 G CA -0.082 45.032 45.100 0.024 0.000 0.919 231 G HN 0.854 nan 8.290 nan 0.000 0.565 232 T N 0.713 115.289 114.554 0.037 0.000 2.897 232 T HA 0.345 4.695 4.350 0.000 0.000 0.304 232 T C 0.647 175.409 174.700 0.102 0.000 1.051 232 T CA 1.218 63.354 62.100 0.060 0.000 1.132 232 T CB 0.084 68.990 68.868 0.064 0.000 1.066 232 T HN 0.978 nan 8.240 nan 0.000 0.518 233 S N 2.284 118.012 115.700 0.047 0.000 2.478 233 S HA 0.413 4.883 4.470 0.000 0.000 0.312 233 S C 0.149 174.683 174.600 -0.110 0.000 1.094 233 S CA -0.768 57.434 58.200 0.004 0.000 1.081 233 S CB 1.668 64.868 63.200 0.002 0.000 1.007 233 S HN 0.776 nan 8.310 nan 0.000 0.475 234 S N 3.004 118.511 115.700 -0.322 0.000 2.537 234 S HA 0.415 4.885 4.470 0.000 0.000 0.286 234 S C 0.609 175.078 174.600 -0.218 0.000 1.299 234 S CA -0.635 57.286 58.200 -0.465 0.000 1.067 234 S CB 0.055 62.747 63.200 -0.848 0.000 0.864 234 S HN 0.872 nan 8.310 nan 0.000 0.494 235 A N 5.874 128.605 122.820 -0.149 0.000 2.466 235 A HA 0.294 4.614 4.320 0.000 0.000 0.238 235 A C 0.520 178.068 177.584 -0.060 0.000 1.074 235 A CA -0.243 51.751 52.037 -0.073 0.000 0.774 235 A CB 0.125 19.100 19.000 -0.041 0.000 1.015 235 A HN 0.834 nan 8.150 nan 0.000 0.498 236 K N 0.651 121.041 120.400 -0.017 0.000 2.485 236 K HA 0.194 4.514 4.320 0.000 0.000 0.277 236 K C 0.425 177.055 176.600 0.050 0.000 0.990 236 K CA 0.592 56.888 56.287 0.016 0.000 0.994 236 K CB 0.453 32.974 32.500 0.036 0.000 0.906 236 K HN 0.747 nan 8.250 nan 0.000 0.488 237 A N 3.462 126.336 122.820 0.089 0.000 2.410 237 A HA 0.161 4.481 4.320 0.000 0.000 0.292 237 A C -0.039 177.702 177.584 0.263 0.000 1.232 237 A CA -0.044 52.110 52.037 0.196 0.000 0.893 237 A CB -0.277 18.871 19.000 0.246 0.000 1.131 237 A HN 0.528 nan 8.150 nan 0.000 0.530 238 T N 3.200 117.897 114.554 0.239 0.000 2.767 238 T HA 0.314 4.664 4.350 0.000 0.000 0.288 238 T C -0.271 174.537 174.700 0.180 0.000 0.963 238 T CA 0.160 62.371 62.100 0.185 0.000 1.019 238 T CB 0.225 69.163 68.868 0.117 0.000 0.923 238 T HN 0.485 nan 8.240 nan 0.000 0.468 239 Y N 2.495 122.804 120.300 0.015 0.000 2.411 239 Y HA 0.253 4.803 4.550 0.000 0.000 0.333 239 Y C 0.327 176.268 175.900 0.069 0.000 1.186 239 Y CA -0.120 57.920 58.100 -0.099 0.000 1.381 239 Y CB 0.600 38.988 38.460 -0.120 0.000 1.273 239 Y HN 0.833 nan 8.280 nan 0.000 0.546 240 W N 3.716 124.736 121.300 -0.466 0.000 3.330 240 W HA 0.299 4.960 4.660 0.000 0.000 0.243 240 W C 0.665 177.153 176.519 -0.052 0.000 0.954 240 W CA 0.992 58.233 57.345 -0.174 0.000 2.074 240 W CB -0.257 29.090 29.460 -0.189 0.000 1.096 240 W HN 0.805 nan 8.180 nan 0.000 0.643 241 G N 1.749 110.305 108.800 -0.406 0.000 2.638 241 G HA2 0.192 4.152 3.960 0.000 0.000 0.269 241 G HA3 0.192 4.152 3.960 0.000 0.000 0.269 241 G C -0.001 174.476 174.900 -0.705 0.000 1.141 241 G CA 0.081 45.048 45.100 -0.220 0.000 1.081 241 G HN 0.721 nan 8.290 nan 0.000 0.527 242 G N -0.892 107.219 108.800 -1.148 0.000 2.667 242 G HA2 0.811 4.771 3.960 0.000 0.000 0.310 242 G HA3 0.811 4.771 3.960 0.000 0.000 0.310 242 G C -0.527 173.984 174.900 -0.649 0.000 1.259 242 G CA 0.008 44.297 45.100 -1.351 0.000 1.019 242 G HN 0.733 nan 8.290 nan 0.000 0.496 243 E N -0.354 119.571 120.200 -0.459 0.000 2.265 243 E HA 0.454 4.804 4.350 0.000 0.000 0.262 243 E C -1.298 175.221 176.600 -0.135 0.000 0.889 243 E CA -0.552 55.713 56.400 -0.225 0.000 0.789 243 E CB 1.382 31.016 29.700 -0.110 0.000 1.221 243 E HN 0.333 nan 8.360 nan 0.000 0.414 244 I N 4.111 124.614 120.570 -0.112 0.000 2.404 244 I HA 0.476 4.646 4.170 0.000 0.000 0.293 244 I C -0.175 175.906 176.117 -0.061 0.000 0.992 244 I CA -0.778 60.495 61.300 -0.045 0.000 1.149 244 I CB 1.679 39.673 38.000 -0.011 0.000 1.315 244 I HN 0.394 nan 8.210 nan 0.000 0.446 245 R N 4.508 124.982 120.500 -0.043 0.000 2.476 245 R HA 0.333 4.673 4.340 0.000 0.000 0.305 245 R C -0.870 175.403 176.300 -0.045 0.000 0.965 245 R CA -0.689 55.364 56.100 -0.078 0.000 0.867 245 R CB 2.183 32.405 30.300 -0.129 0.000 1.176 245 R HN 0.533 nan 8.270 nan 0.000 0.447 246 E N 2.940 123.108 120.200 -0.054 0.000 2.063 246 E HA 0.057 4.407 4.350 0.000 0.000 0.265 246 E C -0.993 175.582 176.600 -0.041 0.000 0.919 246 E CA -0.746 55.633 56.400 -0.035 0.000 0.756 246 E CB 1.007 30.687 29.700 -0.033 0.000 1.120 246 E HN 0.247 nan 8.360 nan 0.000 0.414 247 Q N 3.695 123.482 119.800 -0.022 0.000 2.323 247 Q HA 0.099 4.439 4.340 0.000 0.000 0.257 247 Q C -0.252 175.752 176.000 0.006 0.000 1.022 247 Q CA 0.549 56.344 55.803 -0.012 0.000 0.919 247 Q CB 0.310 29.047 28.738 -0.001 0.000 1.220 247 Q HN 0.779 nan 8.270 nan 0.000 0.427 248 N N 2.253 120.962 118.700 0.015 0.000 2.168 248 N HA 0.195 4.935 4.740 0.000 0.000 0.216 248 N C 0.838 176.425 175.510 0.129 0.000 1.259 248 N CA 0.130 53.215 53.050 0.057 0.000 0.902 248 N CB 0.718 39.214 38.487 0.015 0.000 1.079 248 N HN 0.632 nan 8.380 nan 0.000 0.507 249 G N 0.842 109.709 108.800 0.112 0.000 2.213 249 G HA2 -0.246 3.714 3.960 0.000 0.000 0.226 249 G HA3 -0.246 3.714 3.960 0.000 0.000 0.226 249 G C -0.372 174.606 174.900 0.131 0.000 0.992 249 G CA -0.041 45.121 45.100 0.104 0.000 0.632 249 G HN 0.502 nan 8.290 nan 0.000 0.511 250 H N 1.468 120.540 119.070 0.004 0.000 3.001 250 H HA 0.368 4.924 4.556 0.000 0.000 0.334 250 H C 2.061 177.399 175.328 0.016 0.000 1.034 250 H CA 0.901 56.957 56.048 0.014 0.000 1.420 250 H CB 1.251 31.025 29.762 0.020 0.000 1.405 250 H HN 0.340 nan 8.280 nan 0.000 0.593 251 S N 2.786 118.537 115.700 0.084 0.000 2.500 251 S HA -0.014 4.456 4.470 0.000 0.000 0.239 251 S C 0.587 175.234 174.600 0.078 0.000 0.989 251 S CA 0.408 58.641 58.200 0.055 0.000 0.951 251 S CB 0.001 63.216 63.200 0.025 0.000 0.759 251 S HN 0.361 nan 8.310 nan 0.000 0.523 252 L N 2.003 123.307 121.223 0.136 0.000 2.322 252 L HA 0.561 4.901 4.340 0.000 0.000 0.281 252 L C -0.905 176.060 176.870 0.159 0.000 1.014 252 L CA -0.909 54.014 54.840 0.138 0.000 0.815 252 L CB 2.006 44.171 42.059 0.176 0.000 1.247 252 L HN -0.017 nan 8.230 nan 0.000 0.421 253 V N 2.531 122.498 119.914 0.088 0.000 2.394 253 V HA 0.335 4.455 4.120 0.000 0.000 0.282 253 V C -0.098 176.019 176.094 0.038 0.000 1.031 253 V CA -0.549 61.785 62.300 0.057 0.000 0.881 253 V CB 1.235 33.050 31.823 -0.015 0.000 0.982 253 V HN 0.608 nan 8.190 nan 0.000 0.451 254 H N 2.994 121.990 119.070 -0.123 0.000 2.458 254 H HA 0.783 5.339 4.556 0.000 0.000 0.330 254 H C -0.145 174.984 175.328 -0.332 0.000 1.111 254 H CA -0.349 55.564 56.048 -0.226 0.000 1.245 254 H CB 2.204 31.871 29.762 -0.159 0.000 1.456 254 H HN 0.780 nan 8.280 nan 0.000 0.488 255 A N 1.762 124.328 122.820 -0.423 0.000 2.549 255 A HA 0.711 5.031 4.320 0.000 0.000 0.297 255 A C -1.452 175.767 177.584 -0.608 0.000 1.061 255 A CA -0.407 51.393 52.037 -0.394 0.000 0.690 255 A CB 1.710 20.572 19.000 -0.230 0.000 1.287 255 A HN 0.732 nan 8.150 nan 0.000 0.402 256 A N 1.052 123.574 122.820 -0.496 0.000 2.408 256 A HA 0.684 5.005 4.320 0.000 0.000 0.295 256 A C -1.334 175.963 177.584 -0.478 0.000 1.040 256 A CA -0.413 51.301 52.037 -0.537 0.000 0.707 256 A CB 1.384 20.119 19.000 -0.441 0.000 1.235 256 A HN 1.437 nan 8.150 nan 0.000 0.418 257 V N 3.612 123.092 119.914 -0.723 0.000 2.444 257 V HA 0.666 4.786 4.120 0.000 0.000 0.294 257 V C 0.136 176.105 176.094 -0.208 0.000 1.022 257 V CA -0.277 61.735 62.300 -0.479 0.000 0.850 257 V CB 1.175 32.703 31.823 -0.491 0.000 0.992 257 V HN 1.258 nan 8.190 nan 0.000 0.426 258 V N 2.297 122.216 119.914 0.009 0.000 3.119 258 V HA 0.920 5.040 4.120 0.000 0.000 0.311 258 V C -0.415 175.762 176.094 0.138 0.000 1.259 258 V CA -0.552 61.886 62.300 0.230 0.000 1.067 258 V CB 2.446 34.412 31.823 0.239 0.000 1.123 258 V HN 0.687 nan 8.190 nan 0.000 0.463 259 T N 0.246 114.928 114.554 0.214 0.000 2.894 259 T HA 0.411 4.761 4.350 0.000 0.000 0.309 259 T C -0.820 173.953 174.700 0.123 0.000 1.208 259 T CA -0.406 61.732 62.100 0.064 0.000 1.016 259 T CB 1.862 70.686 68.868 -0.072 0.000 1.192 259 T HN 1.105 nan 8.240 nan 0.000 0.491 260 E N 0.620 120.792 120.200 -0.048 0.000 2.568 260 E HA 0.315 4.665 4.350 0.000 0.000 0.262 260 E C 0.585 177.163 176.600 -0.037 0.000 0.961 260 E CA 0.288 56.684 56.400 -0.006 0.000 0.945 260 E CB 0.202 29.724 29.700 -0.297 0.000 0.924 260 E HN 0.728 nan 8.360 nan 0.000 0.467 261 G N 2.558 111.315 108.800 -0.072 0.000 3.099 261 G HA2 0.654 4.614 3.960 0.000 0.000 0.151 261 G HA3 0.654 4.614 3.960 0.000 0.000 0.151 261 G C -0.927 173.785 174.900 -0.314 0.000 1.265 261 G CA -0.098 44.772 45.100 -0.383 0.000 0.981 261 G HN 0.732 nan 8.290 nan 0.000 0.601 262 A N -1.128 121.427 122.820 -0.442 0.000 2.282 262 A HA 0.824 5.144 4.320 0.000 0.000 0.319 262 A C 0.405 177.961 177.584 -0.047 0.000 1.121 262 A CA 0.322 52.284 52.037 -0.125 0.000 0.836 262 A CB 0.904 19.911 19.000 0.012 0.000 1.146 262 A HN 1.582 nan 8.150 nan 0.000 0.494 263 A N 0.408 123.242 122.820 0.024 0.000 2.242 263 A HA 0.645 4.965 4.320 0.000 0.000 0.304 263 A C 0.176 177.786 177.584 0.043 0.000 1.100 263 A CA -0.413 51.656 52.037 0.053 0.000 0.860 263 A CB 0.088 19.133 19.000 0.076 0.000 1.168 263 A HN 1.028 nan 8.150 nan 0.000 0.503 264 V N -0.136 119.813 119.914 0.059 0.000 3.003 264 V HA 0.476 4.597 4.120 0.000 0.000 0.305 264 V C 1.738 177.860 176.094 0.047 0.000 1.078 264 V CA 1.045 63.375 62.300 0.049 0.000 1.083 264 V CB 0.664 32.527 31.823 0.068 0.000 1.039 264 V HN 1.930 nan 8.190 nan 0.000 0.481 265 G N 2.400 111.220 108.800 0.035 0.000 2.205 265 G HA2 -0.299 3.661 3.960 0.000 0.000 0.269 265 G HA3 -0.299 3.661 3.960 0.000 0.000 0.269 265 G C 0.535 175.450 174.900 0.026 0.000 0.977 265 G CA 0.727 45.843 45.100 0.027 0.000 0.652 265 G HN 1.035 nan 8.290 nan 0.000 0.539 266 S N -0.578 115.142 115.700 0.034 0.000 2.632 266 S HA 0.734 5.204 4.470 0.000 0.000 0.271 266 S C 1.598 176.217 174.600 0.032 0.000 1.260 266 S CA 0.532 58.754 58.200 0.037 0.000 1.010 266 S CB 1.458 64.688 63.200 0.050 0.000 0.965 266 S HN 1.427 nan 8.310 nan 0.000 0.534 267 A N 1.962 124.799 122.820 0.028 0.000 2.021 267 A HA 0.156 4.476 4.320 0.000 0.000 0.216 267 A C 1.774 179.374 177.584 0.027 0.000 1.163 267 A CA 0.925 52.972 52.037 0.017 0.000 0.676 267 A CB -0.628 18.376 19.000 0.007 0.000 0.818 267 A HN 0.946 nan 8.150 nan 0.000 0.453 268 E N 0.125 120.356 120.200 0.052 0.000 2.516 268 E HA 0.084 4.434 4.350 0.000 0.000 0.199 268 E C 1.702 178.403 176.600 0.168 0.000 1.069 268 E CA 0.473 56.922 56.400 0.082 0.000 0.876 268 E CB -0.145 29.629 29.700 0.123 0.000 0.843 268 E HN 0.577 nan 8.360 nan 0.000 0.530 269 A N 1.678 124.570 122.820 0.120 0.000 1.825 269 A HA -0.208 4.112 4.320 0.000 0.000 0.214 269 A C 1.913 179.572 177.584 0.125 0.000 1.206 269 A CA 1.389 53.504 52.037 0.130 0.000 0.609 269 A CB -0.622 18.416 19.000 0.064 0.000 0.851 269 A HN 0.308 nan 8.150 nan 0.000 0.445 270 N N 0.668 119.403 118.700 0.058 0.000 2.132 270 N HA -0.244 4.496 4.740 0.000 0.000 0.191 270 N C 1.875 177.398 175.510 0.022 0.000 1.015 270 N CA 1.631 54.700 53.050 0.032 0.000 0.864 270 N CB -0.546 37.938 38.487 -0.005 0.000 1.006 270 N HN 0.524 nan 8.380 nan 0.000 0.430 271 A N 0.966 123.776 122.820 -0.016 0.000 1.865 271 A HA -0.134 4.186 4.320 0.000 0.000 0.217 271 A C 2.104 179.577 177.584 -0.186 0.000 1.191 271 A CA 1.264 53.220 52.037 -0.134 0.000 0.623 271 A CB -1.057 17.798 19.000 -0.241 0.000 0.826 271 A HN 0.207 nan 8.150 nan 0.000 0.444 272 F N 0.830 120.697 119.950 -0.139 0.000 2.134 272 F HA -0.167 4.360 4.527 0.000 0.000 0.299 272 F C 2.884 178.679 175.800 -0.008 0.000 1.097 272 F CA 1.637 59.498 58.000 -0.233 0.000 1.264 272 F CB -0.392 38.414 39.000 -0.324 0.000 1.001 272 F HN 0.149 nan 8.300 nan 0.000 0.479 273 S N 0.008 115.846 115.700 0.230 0.000 2.365 273 S HA -0.194 4.276 4.470 0.000 0.000 0.225 273 S C 2.249 176.998 174.600 0.247 0.000 1.039 273 S CA 1.530 59.866 58.200 0.226 0.000 1.033 273 S CB -0.764 62.544 63.200 0.181 0.000 0.887 273 S HN 0.150 nan 8.310 nan 0.000 0.447 274 V N 1.842 121.850 119.914 0.158 0.000 2.407 274 V HA -0.116 4.004 4.120 0.000 0.000 0.248 274 V C 2.213 178.381 176.094 0.122 0.000 1.055 274 V CA 1.497 63.877 62.300 0.133 0.000 1.049 274 V CB -0.663 31.185 31.823 0.041 0.000 0.662 274 V HN 0.389 nan 8.190 nan 0.000 0.455 275 L N 0.036 121.301 121.223 0.070 0.000 2.141 275 L HA -0.149 4.191 4.340 0.000 0.000 0.209 275 L C 2.370 179.369 176.870 0.216 0.000 1.094 275 L CA 2.043 56.929 54.840 0.078 0.000 0.763 275 L CB -0.879 41.144 42.059 -0.059 0.000 0.908 275 L HN 0.402 nan 8.230 nan 0.000 0.437 276 Q N -1.068 118.907 119.800 0.291 0.000 1.985 276 Q HA -0.278 4.062 4.340 0.000 0.000 0.207 276 Q C 2.209 178.234 176.000 0.042 0.000 0.996 276 Q CA 2.148 58.082 55.803 0.218 0.000 0.851 276 Q CB -0.329 28.483 28.738 0.123 0.000 0.921 276 Q HN 0.642 nan 8.270 nan 0.000 0.418 277 H N -0.747 118.398 119.070 0.126 0.000 2.456 277 H HA -0.084 4.472 4.556 0.000 0.000 0.296 277 H C 2.159 177.530 175.328 0.072 0.000 1.079 277 H CA 1.416 57.516 56.048 0.086 0.000 1.322 277 H CB 0.167 29.969 29.762 0.067 0.000 1.388 277 H HN 0.179 nan 8.280 nan 0.000 0.538 278 V N 0.826 120.840 119.914 0.167 0.000 2.548 278 V HA -0.183 3.937 4.120 0.000 0.000 0.249 278 V C 2.598 178.746 176.094 0.089 0.000 1.055 278 V CA 1.048 63.413 62.300 0.108 0.000 1.065 278 V CB -0.351 31.518 31.823 0.077 0.000 0.681 278 V HN 0.232 nan 8.190 nan 0.000 0.462 279 L N -0.060 121.219 121.223 0.094 0.000 2.209 279 L HA 0.362 4.702 4.340 0.000 0.000 0.207 279 L C 1.075 177.992 176.870 0.078 0.000 1.094 279 L CA 1.105 55.989 54.840 0.073 0.000 0.790 279 L CB -0.162 41.940 42.059 0.072 0.000 0.932 279 L HN 0.518 nan 8.230 nan 0.000 0.447 280 G N 0.060 108.906 108.800 0.077 0.000 3.220 280 G HA2 0.215 4.175 3.960 0.000 0.000 0.636 280 G HA3 0.215 4.175 3.960 0.000 0.000 0.636 280 G C -0.668 174.264 174.900 0.052 0.000 1.226 280 G CA -0.505 44.648 45.100 0.090 0.000 1.177 280 G HN 0.234 nan 8.290 nan 0.000 0.527 281 A N 1.723 124.544 122.820 0.001 0.000 2.938 281 A HA 1.028 5.348 4.320 0.000 0.000 0.344 281 A C 1.112 178.713 177.584 0.029 0.000 1.142 281 A CA 0.708 52.715 52.037 -0.049 0.000 0.841 281 A CB 0.261 19.087 19.000 -0.289 0.000 1.083 281 A HN 2.827 nan 8.150 nan 0.000 0.479 282 G N 2.214 111.058 108.800 0.072 0.000 2.705 282 G HA2 0.010 3.970 3.960 0.000 0.000 0.686 282 G HA3 0.010 3.970 3.960 0.000 0.000 0.686 282 G C -2.591 172.352 174.900 0.072 0.000 1.285 282 G CA -0.448 44.698 45.100 0.077 0.000 0.800 282 G HN 0.739 nan 8.290 nan 0.000 0.611 283 P HA 0.543 nan 4.420 nan 0.000 0.284 283 P C 0.722 178.028 177.300 0.010 0.000 1.258 283 P CA -0.691 62.415 63.100 0.009 0.000 0.824 283 P CB 1.218 32.915 31.700 -0.006 0.000 1.038 284 L N 0.705 121.924 121.223 -0.006 0.000 2.817 284 L HA 0.372 4.712 4.340 0.000 0.000 0.248 284 L C 0.724 177.587 176.870 -0.012 0.000 1.133 284 L CA 0.092 54.933 54.840 0.001 0.000 0.935 284 L CB 0.143 42.206 42.059 0.008 0.000 1.266 284 L HN 0.249 nan 8.230 nan 0.000 0.535 285 I N 0.858 121.411 120.570 -0.028 0.000 2.389 285 I HA 0.198 4.368 4.170 0.000 0.000 0.288 285 I C 0.213 176.311 176.117 -0.032 0.000 0.999 285 I CA -0.589 60.692 61.300 -0.032 0.000 1.129 285 I CB 1.898 39.870 38.000 -0.046 0.000 1.288 285 I HN -0.015 nan 8.210 nan 0.000 0.444 286 K N 6.721 127.108 120.400 -0.021 0.000 2.466 286 K HA 0.045 4.365 4.320 0.000 0.000 0.278 286 K C 0.504 177.089 176.600 -0.023 0.000 1.048 286 K CA 0.436 56.713 56.287 -0.016 0.000 1.088 286 K CB 0.238 32.732 32.500 -0.010 0.000 0.884 286 K HN 0.603 nan 8.250 nan 0.000 0.478 287 R N 0.647 121.133 120.500 -0.023 0.000 4.016 287 R HA -0.181 4.159 4.340 0.000 0.000 0.385 287 R C 0.480 176.751 176.300 -0.047 0.000 1.158 287 R CA 0.878 56.962 56.100 -0.027 0.000 1.117 287 R CB -2.086 28.201 30.300 -0.020 0.000 1.635 287 R HN 0.841 nan 8.270 nan 0.000 0.560 288 G N 0.289 109.051 108.800 -0.063 0.000 2.507 288 G HA2 0.367 4.328 3.960 0.000 0.000 0.271 288 G HA3 0.367 4.328 3.960 0.000 0.000 0.271 288 G C -0.153 174.642 174.900 -0.176 0.000 1.189 288 G CA 0.107 45.149 45.100 -0.095 0.000 0.859 288 G HN 0.086 nan 8.290 nan 0.000 0.542 289 S N -0.754 114.821 115.700 -0.209 0.000 2.632 289 S HA 0.508 4.978 4.470 0.000 0.000 0.271 289 S C 0.328 174.674 174.600 -0.423 0.000 1.260 289 S CA -0.492 57.483 58.200 -0.374 0.000 1.010 289 S CB 0.850 63.920 63.200 -0.217 0.000 0.965 289 S HN 0.461 nan 8.310 nan 0.000 0.534 290 S N 2.766 118.051 115.700 -0.692 0.000 2.532 290 S HA 0.287 4.758 4.470 0.000 0.000 0.318 290 S C 0.891 175.364 174.600 -0.211 0.000 1.083 290 S CA -0.812 57.145 58.200 -0.405 0.000 1.131 290 S CB 1.196 64.149 63.200 -0.411 0.000 0.973 290 S HN 0.575 nan 8.310 nan 0.000 0.468 291 V N 2.793 122.639 119.914 -0.113 0.000 2.535 291 V HA -0.082 4.038 4.120 0.000 0.000 0.246 291 V C 2.231 178.319 176.094 -0.010 0.000 1.045 291 V CA 1.476 63.750 62.300 -0.044 0.000 1.058 291 V CB -0.862 30.940 31.823 -0.035 0.000 0.689 291 V HN 0.724 nan 8.190 nan 0.000 0.461 292 T N -0.436 114.112 114.554 -0.011 0.000 3.051 292 T HA -0.078 4.272 4.350 0.000 0.000 0.269 292 T C 1.147 175.871 174.700 0.041 0.000 1.127 292 T CA 1.104 63.214 62.100 0.016 0.000 1.107 292 T CB -0.138 68.741 68.868 0.019 0.000 0.898 292 T HN 0.369 nan 8.240 nan 0.000 0.517 293 S N 1.179 116.906 115.700 0.044 0.000 2.409 293 S HA 0.209 4.680 4.470 0.000 0.000 0.308 293 S C 1.299 175.965 174.600 0.110 0.000 1.080 293 S CA -0.742 57.514 58.200 0.094 0.000 1.081 293 S CB 0.245 63.528 63.200 0.140 0.000 1.009 293 S HN 0.246 nan 8.310 nan 0.000 0.502 294 K N 3.118 123.565 120.400 0.079 0.000 2.032 294 K HA -0.133 4.187 4.320 0.000 0.000 0.209 294 K C 1.781 178.418 176.600 0.063 0.000 1.048 294 K CA 1.145 57.467 56.287 0.059 0.000 0.927 294 K CB -0.339 32.182 32.500 0.034 0.000 0.712 294 K HN 0.540 nan 8.250 nan 0.000 0.441 295 L N 0.646 121.903 121.223 0.058 0.000 1.989 295 L HA -0.233 4.107 4.340 0.000 0.000 0.211 295 L C 2.303 179.226 176.870 0.088 0.000 1.071 295 L CA 1.735 56.586 54.840 0.018 0.000 0.749 295 L CB -0.801 41.261 42.059 0.005 0.000 0.890 295 L HN 0.149 nan 8.230 nan 0.000 0.431 296 Y N -0.118 120.224 120.300 0.069 0.000 2.114 296 Y HA -0.276 4.274 4.550 0.000 0.000 0.284 296 Y C 2.671 178.667 175.900 0.161 0.000 1.143 296 Y CA 2.007 60.209 58.100 0.170 0.000 1.135 296 Y CB -0.375 38.166 38.460 0.134 0.000 0.980 296 Y HN 0.310 nan 8.280 nan 0.000 0.499 297 Q N -0.322 119.705 119.800 0.379 0.000 2.096 297 Q HA -0.144 4.196 4.340 0.000 0.000 0.204 297 Q C 2.555 178.637 176.000 0.136 0.000 0.982 297 Q CA 1.506 57.454 55.803 0.242 0.000 0.850 297 Q CB -1.196 27.618 28.738 0.126 0.000 0.901 297 Q HN 0.640 nan 8.270 nan 0.000 0.422 298 G N 0.111 108.949 108.800 0.063 0.000 2.418 298 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 298 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 298 G C 1.625 176.481 174.900 -0.073 0.000 1.158 298 G CA 1.002 46.094 45.100 -0.014 0.000 0.771 298 G HN 0.282 nan 8.290 nan 0.000 0.545 299 V N 1.585 121.418 119.914 -0.135 0.000 2.358 299 V HA -0.109 4.011 4.120 0.000 0.000 0.246 299 V C 3.324 179.230 176.094 -0.315 0.000 1.047 299 V CA 1.839 63.921 62.300 -0.363 0.000 1.035 299 V CB -0.850 30.551 31.823 -0.703 0.000 0.658 299 V HN 0.469 nan 8.190 nan 0.000 0.452 300 A N -0.050 122.781 122.820 0.019 0.000 1.986 300 A HA -0.255 4.065 4.320 0.000 0.000 0.220 300 A C 2.203 179.840 177.584 0.088 0.000 1.171 300 A CA 1.920 54.103 52.037 0.243 0.000 0.640 300 A CB -0.420 18.820 19.000 0.401 0.000 0.811 300 A HN 0.585 nan 8.150 nan 0.000 0.451 301 K N -0.718 119.698 120.400 0.027 0.000 2.459 301 K HA 0.219 4.539 4.320 0.000 0.000 0.193 301 K C 1.820 178.397 176.600 -0.038 0.000 1.030 301 K CA 0.575 56.864 56.287 0.003 0.000 1.026 301 K CB -0.018 32.483 32.500 0.002 0.000 0.809 301 K HN 0.470 nan 8.250 nan 0.000 0.504 302 A N 0.770 123.538 122.820 -0.086 0.000 1.909 302 A HA 0.029 4.349 4.320 0.000 0.000 0.209 302 A C 1.343 178.852 177.584 -0.125 0.000 1.247 302 A CA 0.684 52.655 52.037 -0.110 0.000 0.660 302 A CB 0.119 19.030 19.000 -0.149 0.000 0.910 302 A HN 0.173 nan 8.150 nan 0.000 0.465 303 T N -1.614 112.836 114.554 -0.174 0.000 2.944 303 T HA 0.459 4.809 4.350 0.000 0.000 0.284 303 T C 0.901 175.530 174.700 -0.118 0.000 1.010 303 T CA 0.396 62.380 62.100 -0.194 0.000 1.025 303 T CB 1.361 70.086 68.868 -0.237 0.000 1.079 303 T HN 0.194 nan 8.240 nan 0.000 0.516 304 T N 1.670 116.112 114.554 -0.187 0.000 3.018 304 T HA 0.202 4.552 4.350 0.000 0.000 0.246 304 T C 0.559 175.237 174.700 -0.037 0.000 1.026 304 T CA -0.064 61.980 62.100 -0.093 0.000 1.081 304 T CB 0.225 69.023 68.868 -0.117 0.000 0.970 304 T HN 0.433 nan 8.240 nan 0.000 0.475 305 Q N 1.648 121.397 119.800 -0.085 0.000 2.312 305 Q HA 0.371 4.711 4.340 0.000 0.000 0.236 305 Q C -2.507 173.576 176.000 0.138 0.000 0.965 305 Q CA -2.333 53.490 55.803 0.035 0.000 0.894 305 Q CB -0.092 28.702 28.738 0.093 0.000 1.225 305 Q HN 0.143 nan 8.270 nan 0.000 0.478 306 P HA 0.058 nan 4.420 nan 0.000 0.268 306 P C -0.862 176.503 177.300 0.107 0.000 1.208 306 P CA 0.309 63.421 63.100 0.021 0.000 0.777 306 P CB 0.341 32.034 31.700 -0.012 0.000 0.875 307 F N -1.295 118.621 119.950 -0.057 0.000 3.559 307 F HA 0.750 5.277 4.527 0.000 0.000 0.329 307 F C -2.021 173.687 175.800 -0.152 0.000 1.128 307 F CA -0.973 56.965 58.000 -0.104 0.000 0.859 307 F CB 0.911 39.827 39.000 -0.141 0.000 1.590 307 F HN 0.196 nan 8.300 nan 0.000 0.504 308 D N 0.368 120.878 120.400 0.183 0.000 2.812 308 D HA 0.635 5.275 4.640 0.000 0.000 0.210 308 D C -1.818 174.591 176.300 0.182 0.000 1.260 308 D CA 0.116 54.126 54.000 0.015 0.000 0.817 308 D CB 2.062 42.859 40.800 -0.005 0.000 1.694 308 D HN 1.133 nan 8.370 nan 0.000 0.530 309 A N 1.734 124.622 122.820 0.114 0.000 2.486 309 A HA 0.845 5.165 4.320 0.000 0.000 0.300 309 A C -0.978 176.695 177.584 0.148 0.000 1.048 309 A CA -0.469 51.639 52.037 0.118 0.000 0.696 309 A CB 1.787 20.795 19.000 0.013 0.000 1.278 309 A HN 0.388 nan 8.150 nan 0.000 0.405 310 S N -0.385 115.425 115.700 0.184 0.000 2.638 310 S HA 0.772 5.242 4.470 0.000 0.000 0.274 310 S C -0.427 174.259 174.600 0.143 0.000 1.157 310 S CA -0.072 58.221 58.200 0.156 0.000 0.826 310 S CB 1.848 65.132 63.200 0.139 0.000 1.139 310 S HN 1.778 nan 8.310 nan 0.000 0.474 311 A N 1.416 124.272 122.820 0.061 0.000 2.310 311 A HA 0.628 4.948 4.320 0.000 0.000 0.300 311 A C -0.788 176.764 177.584 -0.053 0.000 1.269 311 A CA -0.212 51.798 52.037 -0.044 0.000 0.909 311 A CB -0.550 18.418 19.000 -0.054 0.000 1.144 311 A HN 0.610 nan 8.150 nan 0.000 0.540 312 F N 3.530 123.321 119.950 -0.265 0.000 2.420 312 F HA 0.519 5.046 4.527 0.000 0.000 0.352 312 F C 0.019 175.648 175.800 -0.284 0.000 1.108 312 F CA -0.560 57.315 58.000 -0.209 0.000 1.162 312 F CB 0.787 39.714 39.000 -0.122 0.000 1.118 312 F HN 0.591 nan 8.300 nan 0.000 0.510 313 N N 4.992 123.244 118.700 -0.747 0.000 2.519 313 N HA 0.507 5.247 4.740 0.000 0.000 0.291 313 N C -2.202 172.968 175.510 -0.567 0.000 1.107 313 N CA -0.437 52.320 53.050 -0.488 0.000 0.904 313 N CB 1.626 40.114 38.487 0.002 0.000 1.500 313 N HN 0.291 nan 8.380 nan 0.000 0.510 314 V N 2.933 122.491 119.914 -0.593 0.000 2.540 314 V HA 0.592 4.712 4.120 0.000 0.000 0.302 314 V C -0.727 175.095 176.094 -0.454 0.000 1.035 314 V CA -0.946 61.024 62.300 -0.550 0.000 0.873 314 V CB 1.834 33.278 31.823 -0.631 0.000 0.992 314 V HN 0.639 nan 8.190 nan 0.000 0.428 315 N N 3.517 121.963 118.700 -0.424 0.000 2.442 315 N HA 0.521 5.261 4.740 0.000 0.000 0.274 315 N C -1.264 174.102 175.510 -0.241 0.000 1.002 315 N CA -0.285 52.614 53.050 -0.253 0.000 0.910 315 N CB 1.862 40.284 38.487 -0.108 0.000 1.244 315 N HN 0.633 nan 8.380 nan 0.000 0.492 316 Y N -0.143 120.185 120.300 0.048 0.000 2.568 316 Y HA 0.137 4.687 4.550 0.000 0.000 0.327 316 Y C 2.074 178.009 175.900 0.059 0.000 1.163 316 Y CA -0.866 57.270 58.100 0.060 0.000 1.219 316 Y CB 1.232 39.730 38.460 0.065 0.000 1.308 316 Y HN 0.500 nan 8.280 nan 0.000 0.503 317 S N 0.082 115.940 115.700 0.264 0.000 2.369 317 S HA -0.254 4.216 4.470 0.000 0.000 0.225 317 S C 0.806 175.484 174.600 0.130 0.000 1.043 317 S CA 2.049 60.343 58.200 0.157 0.000 1.074 317 S CB -0.437 62.840 63.200 0.128 0.000 0.962 317 S HN 0.844 nan 8.310 nan 0.000 0.433 318 D N 0.097 120.577 120.400 0.133 0.000 2.593 318 D HA 0.517 5.157 4.640 0.000 0.000 0.241 318 D C 0.176 176.573 176.300 0.161 0.000 1.257 318 D CA 0.010 54.080 54.000 0.117 0.000 0.828 318 D CB 0.317 41.164 40.800 0.079 0.000 1.049 318 D HN 0.374 nan 8.370 nan 0.000 0.490 319 S N -1.917 113.908 115.700 0.208 0.000 2.653 319 S HA 0.601 5.071 4.470 0.000 0.000 0.264 319 S C -1.412 173.348 174.600 0.267 0.000 1.070 319 S CA -0.223 58.127 58.200 0.250 0.000 0.885 319 S CB 0.847 64.271 63.200 0.373 0.000 1.157 319 S HN 0.630 nan 8.310 nan 0.000 0.479 320 G N 0.028 108.972 108.800 0.242 0.000 2.550 320 G HA2 0.632 4.592 3.960 0.000 0.000 0.293 320 G HA3 0.632 4.592 3.960 0.000 0.000 0.293 320 G C -2.364 172.604 174.900 0.113 0.000 1.402 320 G CA -0.560 44.602 45.100 0.102 0.000 0.784 320 G HN 0.814 nan 8.290 nan 0.000 0.482 321 L N -0.306 120.910 121.223 -0.012 0.000 2.409 321 L HA 0.802 5.142 4.340 0.000 0.000 0.262 321 L C -1.459 175.417 176.870 0.011 0.000 0.992 321 L CA -0.802 54.079 54.840 0.068 0.000 0.817 321 L CB 2.624 44.784 42.059 0.168 0.000 1.350 321 L HN 0.592 nan 8.230 nan 0.000 0.411 322 F N 0.753 120.692 119.950 -0.017 0.000 2.641 322 F HA 0.833 5.360 4.527 0.000 0.000 0.308 322 F C -0.023 175.972 175.800 0.324 0.000 1.105 322 F CA 0.263 58.281 58.000 0.030 0.000 0.964 322 F CB 2.274 41.188 39.000 -0.144 0.000 1.294 322 F HN 0.560 nan 8.300 nan 0.000 0.442 323 G N 2.536 111.034 108.800 -0.504 0.000 2.368 323 G HA2 0.314 4.274 3.960 0.000 0.000 0.269 323 G HA3 0.314 4.274 3.960 0.000 0.000 0.269 323 G C -1.936 172.806 174.900 -0.264 0.000 1.291 323 G CA -0.225 44.771 45.100 -0.173 0.000 0.903 323 G HN 1.069 nan 8.290 nan 0.000 0.483 324 F N -1.470 118.402 119.950 -0.129 0.000 2.639 324 F HA 0.916 5.443 4.527 0.000 0.000 0.339 324 F C -0.886 174.927 175.800 0.022 0.000 1.071 324 F CA -1.835 56.119 58.000 -0.076 0.000 0.994 324 F CB 1.877 40.798 39.000 -0.131 0.000 1.341 324 F HN 0.654 nan 8.300 nan 0.000 0.498 325 Y N 0.679 121.018 120.300 0.064 0.000 2.421 325 Y HA 0.572 5.122 4.550 0.000 0.000 0.339 325 Y C -0.988 174.944 175.900 0.054 0.000 0.996 325 Y CA -0.545 57.520 58.100 -0.059 0.000 1.046 325 Y CB 2.056 40.453 38.460 -0.104 0.000 1.226 325 Y HN 0.954 nan 8.280 nan 0.000 0.445 326 T N 5.355 119.745 114.554 -0.272 0.000 2.937 326 T HA 0.613 4.963 4.350 0.000 0.000 0.297 326 T C -1.087 173.468 174.700 -0.241 0.000 0.991 326 T CA -0.608 61.431 62.100 -0.102 0.000 0.990 326 T CB 0.470 69.332 68.868 -0.012 0.000 0.991 326 T HN 0.517 nan 8.240 nan 0.000 0.440 327 I N 3.965 124.442 120.570 -0.155 0.000 2.321 327 I HA 0.605 4.775 4.170 0.000 0.000 0.291 327 I C 0.389 176.459 176.117 -0.078 0.000 0.998 327 I CA -0.473 60.648 61.300 -0.298 0.000 1.227 327 I CB 1.465 39.252 38.000 -0.355 0.000 1.368 327 I HN 0.962 nan 8.210 nan 0.000 0.466 328 S N 4.186 119.853 115.700 -0.056 0.000 2.625 328 S HA 0.455 4.925 4.470 0.000 0.000 0.271 328 S C -0.948 173.683 174.600 0.051 0.000 1.161 328 S CA -1.188 57.037 58.200 0.041 0.000 0.820 328 S CB 1.546 64.756 63.200 0.016 0.000 1.137 328 S HN 0.547 nan 8.310 nan 0.000 0.470 329 Q N 0.209 120.070 119.800 0.100 0.000 2.454 329 Q HA 0.409 4.749 4.340 0.000 0.000 0.247 329 Q C 1.542 177.545 176.000 0.006 0.000 1.028 329 Q CA 0.115 55.963 55.803 0.076 0.000 0.910 329 Q CB 0.672 29.500 28.738 0.149 0.000 1.276 329 Q HN 0.865 nan 8.270 nan 0.000 0.489 330 A N 2.125 124.926 122.820 -0.032 0.000 1.836 330 A HA -0.262 4.058 4.320 0.000 0.000 0.215 330 A C 2.108 179.618 177.584 -0.124 0.000 1.214 330 A CA 2.271 54.272 52.037 -0.060 0.000 0.636 330 A CB -1.421 17.549 19.000 -0.050 0.000 0.847 330 A HN 0.918 nan 8.150 nan 0.000 0.451 331 A N -1.500 121.181 122.820 -0.231 0.000 1.997 331 A HA -0.237 4.083 4.320 0.000 0.000 0.221 331 A C 1.703 179.099 177.584 -0.314 0.000 1.172 331 A CA 1.928 53.774 52.037 -0.318 0.000 0.645 331 A CB -0.934 17.793 19.000 -0.456 0.000 0.813 331 A HN 0.720 nan 8.150 nan 0.000 0.454 332 H N -1.217 117.844 119.070 -0.016 0.000 2.519 332 H HA 0.472 5.028 4.556 0.000 0.000 0.289 332 H C 1.909 177.204 175.328 -0.056 0.000 1.040 332 H CA 0.409 56.437 56.048 -0.034 0.000 1.165 332 H CB -0.422 29.324 29.762 -0.027 0.000 1.462 332 H HN 0.543 nan 8.280 nan 0.000 0.555 333 A N 0.728 123.551 122.820 0.006 0.000 1.968 333 A HA -0.005 4.315 4.320 0.000 0.000 0.217 333 A C 2.656 180.223 177.584 -0.028 0.000 1.169 333 A CA 1.210 53.233 52.037 -0.023 0.000 0.638 333 A CB -0.761 18.213 19.000 -0.044 0.000 0.812 333 A HN 0.440 nan 8.150 nan 0.000 0.446 334 G N 0.407 109.197 108.800 -0.017 0.000 2.484 334 G HA2 -0.246 3.714 3.960 0.000 0.000 0.215 334 G HA3 -0.246 3.714 3.960 0.000 0.000 0.215 334 G C 1.348 176.236 174.900 -0.020 0.000 1.219 334 G CA 1.004 46.097 45.100 -0.011 0.000 0.791 334 G HN 0.673 nan 8.290 nan 0.000 0.550 335 E N 0.236 120.429 120.200 -0.012 0.000 2.097 335 E HA -0.137 4.213 4.350 0.000 0.000 0.196 335 E C 2.630 179.164 176.600 -0.111 0.000 1.000 335 E CA 1.253 57.626 56.400 -0.045 0.000 0.804 335 E CB -0.384 29.300 29.700 -0.027 0.000 0.740 335 E HN 0.322 nan 8.360 nan 0.000 0.454 336 V N 1.698 121.533 119.914 -0.132 0.000 2.358 336 V HA -0.233 3.887 4.120 0.000 0.000 0.246 336 V C 2.289 178.266 176.094 -0.195 0.000 1.047 336 V CA 1.533 63.692 62.300 -0.235 0.000 1.035 336 V CB -0.452 31.225 31.823 -0.243 0.000 0.658 336 V HN 0.250 nan 8.190 nan 0.000 0.452 337 I N -0.869 119.645 120.570 -0.094 0.000 2.163 337 I HA -0.157 4.013 4.170 0.000 0.000 0.240 337 I C 2.812 178.880 176.117 -0.082 0.000 1.081 337 I CA 1.124 62.413 61.300 -0.018 0.000 1.353 337 I CB -0.572 37.471 38.000 0.071 0.000 1.054 337 I HN 0.193 nan 8.210 nan 0.000 0.407 338 R N 1.330 121.795 120.500 -0.059 0.000 2.143 338 R HA -0.251 4.089 4.340 0.000 0.000 0.239 338 R C 2.395 178.621 176.300 -0.123 0.000 1.126 338 R CA 1.996 58.062 56.100 -0.056 0.000 0.927 338 R CB -1.279 28.995 30.300 -0.043 0.000 0.860 338 R HN 0.434 nan 8.270 nan 0.000 0.433 339 A N 1.403 124.126 122.820 -0.160 0.000 1.869 339 A HA -0.214 4.106 4.320 0.000 0.000 0.218 339 A C 2.483 179.900 177.584 -0.280 0.000 1.203 339 A CA 2.686 54.606 52.037 -0.196 0.000 0.638 339 A CB -1.034 17.832 19.000 -0.224 0.000 0.831 339 A HN 0.474 nan 8.150 nan 0.000 0.450 340 A N -1.569 121.001 122.820 -0.417 0.000 2.042 340 A HA -0.216 4.104 4.320 0.000 0.000 0.222 340 A C 2.217 179.340 177.584 -0.768 0.000 1.167 340 A CA 2.189 53.810 52.037 -0.694 0.000 0.649 340 A CB -0.501 17.842 19.000 -1.095 0.000 0.809 340 A HN 0.525 nan 8.150 nan 0.000 0.457 341 M N -0.687 118.609 119.600 -0.507 0.000 2.102 341 M HA -0.075 4.405 4.480 0.000 0.000 0.259 341 M C 1.856 178.094 176.300 -0.104 0.000 1.083 341 M CA 1.194 56.368 55.300 -0.210 0.000 1.141 341 M CB -1.349 31.253 32.600 0.003 0.000 1.318 341 M HN 0.423 nan 8.290 nan 0.000 0.421 342 N N 0.647 119.293 118.700 -0.089 0.000 2.096 342 N HA -0.215 4.525 4.740 0.000 0.000 0.195 342 N C 1.592 177.066 175.510 -0.060 0.000 1.017 342 N CA 1.268 54.287 53.050 -0.052 0.000 0.870 342 N CB -0.475 37.978 38.487 -0.056 0.000 1.024 342 N HN 0.400 nan 8.380 nan 0.000 0.434 343 Q N 0.249 119.982 119.800 -0.111 0.000 2.364 343 Q HA 0.040 4.380 4.340 0.000 0.000 0.207 343 Q C 2.150 178.102 176.000 -0.080 0.000 0.970 343 Q CA 0.405 56.150 55.803 -0.096 0.000 0.888 343 Q CB -0.015 28.646 28.738 -0.128 0.000 0.951 343 Q HN 0.474 nan 8.270 nan 0.000 0.469 344 L N -0.316 120.849 121.223 -0.096 0.000 2.202 344 L HA -0.074 4.267 4.340 0.000 0.000 0.205 344 L C 2.185 179.081 176.870 0.044 0.000 1.083 344 L CA 0.655 55.462 54.840 -0.056 0.000 0.790 344 L CB 0.018 41.984 42.059 -0.155 0.000 0.942 344 L HN 0.079 nan 8.230 nan 0.000 0.452 345 K N 0.043 120.481 120.400 0.063 0.000 2.025 345 K HA -0.086 4.234 4.320 0.000 0.000 0.207 345 K C 2.113 178.738 176.600 0.042 0.000 1.049 345 K CA 1.254 57.590 56.287 0.082 0.000 0.933 345 K CB -0.263 32.283 32.500 0.076 0.000 0.714 345 K HN 0.224 nan 8.250 nan 0.000 0.438 346 A N 1.565 124.395 122.820 0.017 0.000 2.032 346 A HA -0.182 4.139 4.320 0.000 0.000 0.221 346 A C 2.283 179.872 177.584 0.008 0.000 1.165 346 A CA 1.978 54.020 52.037 0.007 0.000 0.645 346 A CB -0.591 18.405 19.000 -0.007 0.000 0.807 346 A HN 0.372 nan 8.150 nan 0.000 0.453 347 A N -0.571 122.256 122.820 0.012 0.000 1.930 347 A HA 0.351 4.671 4.320 0.000 0.000 0.215 347 A C 2.423 180.015 177.584 0.014 0.000 1.176 347 A CA 1.477 53.520 52.037 0.011 0.000 0.632 347 A CB -0.797 18.212 19.000 0.014 0.000 0.819 347 A HN 0.995 nan 8.150 nan 0.000 0.445 348 A N -0.453 122.386 122.820 0.032 0.000 2.015 348 A HA -0.103 4.217 4.320 0.000 0.000 0.219 348 A C 1.686 179.281 177.584 0.019 0.000 1.163 348 A CA 1.090 53.147 52.037 0.032 0.000 0.646 348 A CB -0.400 18.641 19.000 0.069 0.000 0.806 348 A HN 0.616 nan 8.150 nan 0.000 0.448 349 Q N -0.668 119.144 119.800 0.019 0.000 2.292 349 Q HA 0.318 4.658 4.340 0.000 0.000 0.247 349 Q C 0.809 176.811 176.000 0.004 0.000 0.911 349 Q CA 0.176 55.986 55.803 0.012 0.000 0.948 349 Q CB -0.381 28.365 28.738 0.013 0.000 1.093 349 Q HN 0.775 nan 8.270 nan 0.000 0.428 350 G N 0.347 109.147 108.800 0.000 0.000 2.153 350 G HA2 -0.288 3.672 3.960 0.000 0.000 0.252 350 G HA3 -0.288 3.672 3.960 0.000 0.000 0.252 350 G C 0.457 175.355 174.900 -0.004 0.000 0.994 350 G CA -0.018 45.079 45.100 -0.005 0.000 0.698 350 G HN 0.572 nan 8.290 nan 0.000 0.521 351 G N -0.490 108.310 108.800 -0.001 0.000 3.455 351 G HA2 0.520 4.480 3.960 0.000 0.000 0.250 351 G HA3 0.520 4.480 3.960 0.000 0.000 0.250 351 G C -0.049 174.851 174.900 -0.000 0.000 1.071 351 G CA 0.425 45.525 45.100 -0.000 0.000 1.812 351 G HN 0.985 nan 8.290 nan 0.000 0.643 352 V N -0.046 119.866 119.914 -0.003 0.000 2.638 352 V HA 0.438 4.558 4.120 0.000 0.000 0.306 352 V C 0.021 176.112 176.094 -0.004 0.000 1.052 352 V CA -0.714 61.585 62.300 -0.002 0.000 0.885 352 V CB 2.082 33.900 31.823 -0.008 0.000 0.999 352 V HN 0.194 nan 8.190 nan 0.000 0.424 353 T N 2.385 116.939 114.554 -0.001 0.000 2.875 353 T HA 0.203 4.553 4.350 0.000 0.000 0.284 353 T C 0.996 175.694 174.700 -0.004 0.000 0.995 353 T CA -0.173 61.926 62.100 -0.002 0.000 1.060 353 T CB 1.655 70.523 68.868 0.001 0.000 0.967 353 T HN 0.863 nan 8.240 nan 0.000 0.476 354 E N 1.658 121.854 120.200 -0.006 0.000 2.273 354 E HA -0.167 4.183 4.350 0.000 0.000 0.198 354 E C 1.850 178.446 176.600 -0.006 0.000 1.002 354 E CA 1.358 57.753 56.400 -0.008 0.000 0.828 354 E CB 0.111 29.806 29.700 -0.009 0.000 0.747 354 E HN 0.767 nan 8.360 nan 0.000 0.491 355 E N -0.244 119.955 120.200 -0.003 0.000 2.042 355 E HA -0.153 4.197 4.350 0.000 0.000 0.189 355 E C 1.238 177.839 176.600 0.002 0.000 0.974 355 E CA 1.073 57.472 56.400 -0.002 0.000 0.806 355 E CB -0.050 29.650 29.700 -0.001 0.000 0.769 355 E HN 0.184 nan 8.360 nan 0.000 0.451 356 D N 0.409 120.812 120.400 0.006 0.000 2.170 356 D HA -0.201 4.439 4.640 0.000 0.000 0.193 356 D C 1.962 178.271 176.300 0.015 0.000 1.004 356 D CA 1.474 55.482 54.000 0.014 0.000 0.860 356 D CB -0.206 40.603 40.800 0.015 0.000 0.931 356 D HN 0.102 nan 8.370 nan 0.000 0.448 357 V N 0.226 120.144 119.914 0.006 0.000 2.427 357 V HA -0.198 3.922 4.120 0.000 0.000 0.248 357 V C 2.359 178.452 176.094 -0.001 0.000 1.051 357 V CA 1.900 64.201 62.300 0.003 0.000 1.048 357 V CB -0.656 31.162 31.823 -0.009 0.000 0.666 357 V HN 0.256 nan 8.190 nan 0.000 0.456 358 T N -0.519 114.032 114.554 -0.005 0.000 2.857 358 T HA -0.134 4.216 4.350 0.000 0.000 0.266 358 T C 1.938 176.632 174.700 -0.010 0.000 1.048 358 T CA 1.154 63.248 62.100 -0.010 0.000 1.139 358 T CB -0.129 68.733 68.868 -0.010 0.000 0.874 358 T HN 0.456 nan 8.240 nan 0.000 0.455 359 K N 1.261 121.659 120.400 -0.003 0.000 2.002 359 K HA -0.024 4.296 4.320 0.000 0.000 0.209 359 K C 2.701 179.296 176.600 -0.008 0.000 1.048 359 K CA 1.244 57.530 56.287 -0.002 0.000 0.930 359 K CB -0.405 32.100 32.500 0.009 0.000 0.714 359 K HN 0.269 nan 8.250 nan 0.000 0.438 360 A N 2.270 125.097 122.820 0.012 0.000 1.848 360 A HA -0.286 4.034 4.320 0.000 0.000 0.217 360 A C 1.936 179.489 177.584 -0.053 0.000 1.220 360 A CA 2.208 54.257 52.037 0.020 0.000 0.645 360 A CB -0.728 18.318 19.000 0.077 0.000 0.842 360 A HN 0.264 nan 8.150 nan 0.000 0.451 361 K N -0.555 119.827 120.400 -0.031 0.000 2.184 361 K HA -0.255 4.065 4.320 0.000 0.000 0.210 361 K C 1.776 178.333 176.600 -0.071 0.000 1.048 361 K CA 1.824 58.082 56.287 -0.048 0.000 0.931 361 K CB -0.390 32.091 32.500 -0.033 0.000 0.718 361 K HN 0.522 nan 8.250 nan 0.000 0.465 362 N N 0.725 119.387 118.700 -0.062 0.000 2.207 362 N HA -0.104 4.636 4.740 0.000 0.000 0.182 362 N C 1.802 177.259 175.510 -0.088 0.000 1.020 362 N CA 1.026 54.042 53.050 -0.057 0.000 0.858 362 N CB -0.117 38.349 38.487 -0.035 0.000 0.991 362 N HN 0.344 nan 8.380 nan 0.000 0.427 363 Q N 0.390 120.113 119.800 -0.128 0.000 2.135 363 Q HA -0.122 4.218 4.340 0.000 0.000 0.204 363 Q C 1.933 177.744 176.000 -0.315 0.000 0.981 363 Q CA 0.881 56.575 55.803 -0.182 0.000 0.856 363 Q CB -0.151 28.478 28.738 -0.182 0.000 0.902 363 Q HN 0.183 nan 8.270 nan 0.000 0.425 364 L N 1.377 122.338 121.223 -0.436 0.000 2.005 364 L HA -0.170 4.170 4.340 0.000 0.000 0.207 364 L C 1.920 178.742 176.870 -0.080 0.000 1.072 364 L CA 1.865 56.490 54.840 -0.359 0.000 0.744 364 L CB -0.423 41.498 42.059 -0.231 0.000 0.895 364 L HN 0.006 nan 8.230 nan 0.000 0.433 365 K N -0.502 119.864 120.400 -0.057 0.000 2.020 365 K HA -0.207 4.113 4.320 0.000 0.000 0.212 365 K C 2.026 178.676 176.600 0.084 0.000 1.050 365 K CA 1.644 57.941 56.287 0.015 0.000 0.929 365 K CB -0.542 31.951 32.500 -0.011 0.000 0.714 365 K HN 0.486 nan 8.250 nan 0.000 0.443 366 A N 1.140 123.974 122.820 0.023 0.000 1.829 366 A HA -0.214 4.106 4.320 0.000 0.000 0.216 366 A C 2.331 179.939 177.584 0.040 0.000 1.207 366 A CA 2.423 54.476 52.037 0.028 0.000 0.622 366 A CB -1.415 17.583 19.000 -0.002 0.000 0.846 366 A HN 0.305 nan 8.150 nan 0.000 0.447 367 T N -1.309 113.256 114.554 0.019 0.000 2.653 367 T HA -0.313 4.037 4.350 0.000 0.000 0.267 367 T C 1.705 176.437 174.700 0.053 0.000 1.037 367 T CA 2.391 64.515 62.100 0.039 0.000 1.159 367 T CB -0.635 68.271 68.868 0.064 0.000 0.859 367 T HN 0.578 nan 8.240 nan 0.000 0.449 368 Y N 1.327 121.623 120.300 -0.006 0.000 2.097 368 Y HA -0.139 4.411 4.550 0.000 0.000 0.282 368 Y C 2.109 178.011 175.900 0.003 0.000 1.152 368 Y CA 1.387 59.489 58.100 0.003 0.000 1.136 368 Y CB -0.591 37.865 38.460 -0.006 0.000 0.975 368 Y HN 0.169 nan 8.280 nan 0.000 0.498 369 L N -0.363 120.863 121.223 0.005 0.000 2.191 369 L HA -0.244 4.096 4.340 0.000 0.000 0.212 369 L C 2.454 179.262 176.870 -0.104 0.000 1.103 369 L CA 1.350 56.153 54.840 -0.062 0.000 0.769 369 L CB -0.364 41.749 42.059 0.090 0.000 0.908 369 L HN 0.408 nan 8.230 nan 0.000 0.438 370 M N -1.678 117.880 119.600 -0.071 0.000 2.193 370 M HA -0.064 4.416 4.480 0.000 0.000 0.265 370 M C 1.347 177.597 176.300 -0.083 0.000 1.071 370 M CA 0.900 56.167 55.300 -0.054 0.000 1.140 370 M CB -0.030 32.556 32.600 -0.023 0.000 1.369 370 M HN -0.016 nan 8.290 nan 0.000 0.423 371 S N 0.780 116.413 115.700 -0.112 0.000 3.544 371 S HA 0.180 4.650 4.470 0.000 0.000 0.227 371 S C 0.617 175.108 174.600 -0.182 0.000 1.387 371 S CA -0.047 58.083 58.200 -0.117 0.000 1.182 371 S CB -0.343 62.803 63.200 -0.091 0.000 1.243 371 S HN 0.227 nan 8.310 nan 0.000 0.467 372 V N -0.444 119.375 119.914 -0.159 0.000 3.968 372 V HA 0.057 4.178 4.120 0.000 0.000 0.298 372 V C 1.270 177.315 176.094 -0.081 0.000 1.699 372 V CA -0.222 61.986 62.300 -0.153 0.000 1.282 372 V CB 0.058 31.731 31.823 -0.250 0.000 0.994 372 V HN 0.376 nan 8.190 nan 0.000 0.402 373 E N 0.747 120.910 120.200 -0.062 0.000 2.072 373 E HA -0.032 4.318 4.350 0.000 0.000 0.190 373 E C 0.636 177.223 176.600 -0.022 0.000 0.982 373 E CA 1.089 57.470 56.400 -0.032 0.000 0.803 373 E CB -0.024 29.661 29.700 -0.024 0.000 0.755 373 E HN 0.471 nan 8.360 nan 0.000 0.453 374 T N 1.601 116.138 114.554 -0.028 0.000 2.829 374 T HA 0.089 4.439 4.350 0.000 0.000 0.293 374 T C 1.143 175.835 174.700 -0.015 0.000 0.970 374 T CA 0.206 62.294 62.100 -0.020 0.000 1.168 374 T CB 1.222 70.072 68.868 -0.030 0.000 0.911 374 T HN 0.202 nan 8.240 nan 0.000 0.535 375 A N 3.443 126.263 122.820 -0.000 0.000 1.958 375 A HA -0.225 4.095 4.320 0.000 0.000 0.221 375 A C 2.280 179.871 177.584 0.011 0.000 1.178 375 A CA 1.894 53.938 52.037 0.011 0.000 0.642 375 A CB -0.602 18.410 19.000 0.021 0.000 0.816 375 A HN 0.891 nan 8.150 nan 0.000 0.453 376 Q N -0.692 119.105 119.800 -0.005 0.000 2.079 376 Q HA -0.102 4.238 4.340 0.000 0.000 0.200 376 Q C 2.095 178.073 176.000 -0.037 0.000 0.974 376 Q CA 1.651 57.436 55.803 -0.029 0.000 0.840 376 Q CB -0.546 28.145 28.738 -0.078 0.000 0.898 376 Q HN 0.559 nan 8.270 nan 0.000 0.430 377 G N 1.394 110.167 108.800 -0.044 0.000 2.432 377 G HA2 -0.245 3.716 3.960 0.000 0.000 0.219 377 G HA3 -0.245 3.716 3.960 0.000 0.000 0.219 377 G C 1.344 176.224 174.900 -0.033 0.000 1.135 377 G CA 0.872 45.941 45.100 -0.051 0.000 0.767 377 G HN 0.374 nan 8.290 nan 0.000 0.550 378 L N 0.068 121.281 121.223 -0.017 0.000 2.007 378 L HA 0.219 4.559 4.340 0.000 0.000 0.205 378 L C 2.518 179.407 176.870 0.032 0.000 1.073 378 L CA 1.420 56.260 54.840 -0.000 0.000 0.744 378 L CB -0.728 41.334 42.059 0.004 0.000 0.898 378 L HN 0.157 nan 8.230 nan 0.000 0.435 379 L N 0.211 121.470 121.223 0.060 0.000 2.129 379 L HA -0.259 4.081 4.340 0.000 0.000 0.212 379 L C 2.145 179.129 176.870 0.190 0.000 1.087 379 L CA 2.202 57.116 54.840 0.122 0.000 0.757 379 L CB -0.875 41.290 42.059 0.177 0.000 0.896 379 L HN 0.571 nan 8.230 nan 0.000 0.434 380 N N -0.866 117.934 118.700 0.167 0.000 2.173 380 N HA -0.211 4.529 4.740 0.000 0.000 0.184 380 N C 1.857 177.421 175.510 0.090 0.000 1.025 380 N CA 1.189 54.371 53.050 0.220 0.000 0.852 380 N CB -0.106 38.441 38.487 0.101 0.000 0.998 380 N HN 0.395 nan 8.380 nan 0.000 0.427 381 E N 0.667 120.890 120.200 0.039 0.000 2.031 381 E HA -0.100 4.250 4.350 0.000 0.000 0.193 381 E C 1.894 178.502 176.600 0.013 0.000 0.994 381 E CA 1.351 57.771 56.400 0.032 0.000 0.800 381 E CB -0.447 29.266 29.700 0.022 0.000 0.752 381 E HN 0.480 nan 8.360 nan 0.000 0.447 382 I N 0.042 120.617 120.570 0.009 0.000 2.118 382 I HA -0.270 3.900 4.170 0.000 0.000 0.241 382 I C 2.394 178.409 176.117 -0.170 0.000 1.070 382 I CA 1.527 62.826 61.300 -0.001 0.000 1.327 382 I CB -0.764 37.224 38.000 -0.019 0.000 1.034 382 I HN 0.303 nan 8.210 nan 0.000 0.405 383 G N -0.267 108.258 108.800 -0.457 0.000 2.402 383 G HA2 -0.215 3.745 3.960 0.000 0.000 0.216 383 G HA3 -0.215 3.745 3.960 0.000 0.000 0.216 383 G C 1.742 176.300 174.900 -0.571 0.000 1.162 383 G CA 0.870 45.376 45.100 -0.991 0.000 0.777 383 G HN 0.355 nan 8.290 nan 0.000 0.539 384 S N 0.587 116.125 115.700 -0.270 0.000 2.374 384 S HA -0.148 4.322 4.470 0.000 0.000 0.227 384 S C 2.168 176.745 174.600 -0.037 0.000 1.037 384 S CA 1.643 59.816 58.200 -0.044 0.000 1.024 384 S CB -0.225 63.000 63.200 0.041 0.000 0.861 384 S HN 0.616 nan 8.310 nan 0.000 0.456 385 E N 1.254 121.424 120.200 -0.050 0.000 2.006 385 E HA -0.038 4.312 4.350 0.000 0.000 0.192 385 E C 2.382 178.965 176.600 -0.029 0.000 0.993 385 E CA 0.891 57.276 56.400 -0.024 0.000 0.808 385 E CB -0.353 29.336 29.700 -0.018 0.000 0.764 385 E HN 0.478 nan 8.360 nan 0.000 0.449 386 A N 0.809 123.596 122.820 -0.055 0.000 2.266 386 A HA -0.198 4.122 4.320 0.000 0.000 0.219 386 A C 1.970 179.531 177.584 -0.038 0.000 1.178 386 A CA 1.162 53.170 52.037 -0.049 0.000 0.678 386 A CB -0.355 18.594 19.000 -0.086 0.000 0.789 386 A HN 0.194 nan 8.150 nan 0.000 0.486 387 L N -2.068 119.134 121.223 -0.035 0.000 2.356 387 L HA 0.363 4.703 4.340 0.000 0.000 0.193 387 L C 1.173 178.062 176.870 0.032 0.000 1.087 387 L CA 0.939 55.786 54.840 0.011 0.000 0.817 387 L CB 0.075 42.159 42.059 0.042 0.000 1.035 387 L HN 0.240 nan 8.230 nan 0.000 0.482 388 L N -0.576 120.668 121.223 0.035 0.000 3.035 388 L HA 0.264 4.604 4.340 0.000 0.000 0.232 388 L C 0.705 177.594 176.870 0.031 0.000 1.341 388 L CA 0.427 55.294 54.840 0.045 0.000 1.177 388 L CB -0.051 42.044 42.059 0.059 0.000 1.555 388 L HN 0.385 nan 8.230 nan 0.000 0.473 389 S N -1.007 114.706 115.700 0.023 0.000 6.814 389 S HA 0.159 4.629 4.470 0.000 0.000 0.074 389 S C 0.894 175.503 174.600 0.016 0.000 1.323 389 S CA 0.681 58.891 58.200 0.017 0.000 1.268 389 S CB -0.306 62.899 63.200 0.009 0.000 1.647 389 S HN 0.400 nan 8.310 nan 0.000 0.540 390 G N 1.152 109.959 108.800 0.013 0.000 2.154 390 G HA2 -0.058 3.902 3.960 0.000 0.000 0.186 390 G HA3 -0.058 3.902 3.960 0.000 0.000 0.186 390 G C 0.200 175.112 174.900 0.020 0.000 1.000 390 G CA 0.838 45.948 45.100 0.015 0.000 0.664 390 G HN 1.667 nan 8.290 nan 0.000 0.513 391 T N -2.918 111.649 114.554 0.022 0.000 2.864 391 T HA 0.695 5.045 4.350 0.000 0.000 0.289 391 T C -0.942 173.799 174.700 0.069 0.000 1.082 391 T CA -0.403 61.720 62.100 0.038 0.000 1.009 391 T CB 2.521 71.401 68.868 0.020 0.000 1.234 391 T HN 0.660 nan 8.240 nan 0.000 0.526 392 H N 0.829 119.891 119.070 -0.013 0.000 2.866 392 H HA 0.332 4.888 4.556 0.000 0.000 0.287 392 H C -0.790 174.537 175.328 -0.001 0.000 1.106 392 H CA -0.357 55.687 56.048 -0.008 0.000 1.396 392 H CB 0.611 30.367 29.762 -0.011 0.000 1.469 392 H HN 0.744 nan 8.280 nan 0.000 0.500 393 T N 3.694 118.043 114.554 -0.342 0.000 2.831 393 T HA 0.181 4.531 4.350 0.000 0.000 0.291 393 T C 0.721 175.210 174.700 -0.352 0.000 0.981 393 T CA 0.219 62.165 62.100 -0.256 0.000 1.174 393 T CB 0.181 68.933 68.868 -0.195 0.000 0.929 393 T HN 0.655 nan 8.240 nan 0.000 0.532 394 A N 6.944 129.693 122.820 -0.117 0.000 2.445 394 A HA 0.332 4.652 4.320 0.000 0.000 0.242 394 A C -0.356 177.204 177.584 -0.040 0.000 1.075 394 A CA -1.289 50.742 52.037 -0.009 0.000 0.777 394 A CB 0.059 19.081 19.000 0.037 0.000 1.013 394 A HN 0.582 nan 8.150 nan 0.000 0.493 395 P HA -0.188 nan 4.420 nan 0.000 0.218 395 P C 1.374 178.661 177.300 -0.021 0.000 1.148 395 P CA 1.986 65.106 63.100 0.033 0.000 0.822 395 P CB -0.026 31.749 31.700 0.126 0.000 0.784 396 S N -0.997 114.699 115.700 -0.007 0.000 2.436 396 S HA -0.039 4.431 4.470 0.000 0.000 0.228 396 S C 2.021 176.594 174.600 -0.044 0.000 1.014 396 S CA 0.785 58.973 58.200 -0.019 0.000 0.950 396 S CB -1.481 61.717 63.200 -0.003 0.000 0.784 396 S HN -0.023 nan 8.310 nan 0.000 0.504 397 V N 1.506 121.388 119.914 -0.053 0.000 2.323 397 V HA -0.053 4.067 4.120 0.000 0.000 0.244 397 V C 2.591 178.625 176.094 -0.100 0.000 1.041 397 V CA 1.426 63.687 62.300 -0.065 0.000 1.025 397 V CB -0.823 30.963 31.823 -0.061 0.000 0.656 397 V HN 0.500 nan 8.190 nan 0.000 0.451 398 V N 0.271 120.095 119.914 -0.149 0.000 2.568 398 V HA -0.221 3.899 4.120 0.000 0.000 0.253 398 V C 2.410 178.377 176.094 -0.211 0.000 1.072 398 V CA 2.223 64.389 62.300 -0.223 0.000 1.084 398 V CB -0.296 31.294 31.823 -0.389 0.000 0.676 398 V HN 0.494 nan 8.190 nan 0.000 0.469 399 A N -0.841 121.881 122.820 -0.163 0.000 1.843 399 A HA -0.198 4.122 4.320 0.000 0.000 0.213 399 A C 2.215 179.749 177.584 -0.084 0.000 1.202 399 A CA 1.501 53.467 52.037 -0.119 0.000 0.607 399 A CB -0.789 18.165 19.000 -0.077 0.000 0.847 399 A HN 0.625 nan 8.150 nan 0.000 0.445 400 Q N -0.742 119.017 119.800 -0.068 0.000 2.325 400 Q HA -0.232 4.108 4.340 0.000 0.000 0.211 400 Q C 1.466 177.434 176.000 -0.054 0.000 0.988 400 Q CA 1.616 57.389 55.803 -0.051 0.000 0.887 400 Q CB 0.013 28.726 28.738 -0.042 0.000 0.915 400 Q HN 0.399 nan 8.270 nan 0.000 0.440 401 K N 0.164 120.522 120.400 -0.070 0.000 2.211 401 K HA 0.005 4.325 4.320 0.000 0.000 0.201 401 K C 1.963 178.524 176.600 -0.065 0.000 1.052 401 K CA 0.168 56.415 56.287 -0.066 0.000 0.973 401 K CB -0.125 32.329 32.500 -0.077 0.000 0.766 401 K HN 0.281 nan 8.250 nan 0.000 0.466 402 I N 3.087 123.609 120.570 -0.080 0.000 2.162 402 I HA -0.257 3.913 4.170 0.000 0.000 0.238 402 I C 1.104 177.192 176.117 -0.050 0.000 1.076 402 I CA 1.959 63.217 61.300 -0.069 0.000 1.353 402 I CB -0.800 37.145 38.000 -0.091 0.000 1.063 402 I HN 0.136 nan 8.210 nan 0.000 0.408 403 D N 0.719 121.090 120.400 -0.049 0.000 2.182 403 D HA -0.160 4.480 4.640 0.000 0.000 0.201 403 D C 1.516 177.795 176.300 -0.034 0.000 0.986 403 D CA 1.059 55.036 54.000 -0.038 0.000 0.847 403 D CB -0.975 39.804 40.800 -0.035 0.000 0.942 403 D HN 0.400 nan 8.370 nan 0.000 0.467 404 S N 0.179 115.858 115.700 -0.036 0.000 3.988 404 S HA 0.259 4.730 4.470 0.000 0.000 0.180 404 S C -0.076 174.503 174.600 -0.034 0.000 1.242 404 S CA -0.744 57.436 58.200 -0.033 0.000 0.947 404 S CB -0.805 62.376 63.200 -0.032 0.000 1.519 404 S HN 0.097 nan 8.310 nan 0.000 0.439 405 V N 2.592 122.485 119.914 -0.035 0.000 2.462 405 V HA 0.340 4.460 4.120 0.000 0.000 0.288 405 V C 0.692 176.762 176.094 -0.040 0.000 1.020 405 V CA -0.563 61.713 62.300 -0.040 0.000 0.857 405 V CB 1.275 33.073 31.823 -0.042 0.000 1.013 405 V HN 0.825 nan 8.190 nan 0.000 0.431 406 T N 1.182 115.711 114.554 -0.041 0.000 2.855 406 T HA 0.019 4.369 4.350 0.000 0.000 0.322 406 T C 1.578 176.252 174.700 -0.043 0.000 1.088 406 T CA 0.808 62.885 62.100 -0.038 0.000 1.104 406 T CB 1.180 70.026 68.868 -0.037 0.000 0.996 406 T HN 0.693 nan 8.240 nan 0.000 0.549 407 S N 1.601 117.279 115.700 -0.035 0.000 2.383 407 S HA -0.110 4.361 4.470 0.000 0.000 0.229 407 S C 2.334 176.907 174.600 -0.045 0.000 1.030 407 S CA 1.385 59.564 58.200 -0.035 0.000 1.002 407 S CB -1.194 61.990 63.200 -0.025 0.000 0.829 407 S HN 0.977 nan 8.310 nan 0.000 0.467 408 A N 1.848 124.641 122.820 -0.045 0.000 1.845 408 A HA -0.141 4.179 4.320 0.000 0.000 0.215 408 A C 1.954 179.493 177.584 -0.075 0.000 1.195 408 A CA 1.878 53.885 52.037 -0.051 0.000 0.616 408 A CB -1.295 17.680 19.000 -0.042 0.000 0.832 408 A HN 0.596 nan 8.150 nan 0.000 0.443 409 D N -0.319 120.033 120.400 -0.081 0.000 2.191 409 D HA -0.190 4.450 4.640 0.000 0.000 0.190 409 D C 2.056 178.252 176.300 -0.172 0.000 1.007 409 D CA 1.957 55.887 54.000 -0.116 0.000 0.865 409 D CB -0.502 40.237 40.800 -0.102 0.000 0.929 409 D HN 0.214 nan 8.370 nan 0.000 0.447 410 V N 0.916 120.743 119.914 -0.144 0.000 2.261 410 V HA -0.230 3.890 4.120 0.000 0.000 0.246 410 V C 2.713 178.712 176.094 -0.158 0.000 1.047 410 V CA 1.346 63.548 62.300 -0.164 0.000 1.015 410 V CB -0.489 31.279 31.823 -0.092 0.000 0.642 410 V HN 0.068 nan 8.190 nan 0.000 0.446 411 V N 0.539 120.392 119.914 -0.101 0.000 2.594 411 V HA -0.219 3.901 4.120 0.000 0.000 0.253 411 V C 2.227 178.269 176.094 -0.087 0.000 1.069 411 V CA 1.826 64.082 62.300 -0.073 0.000 1.082 411 V CB -0.979 30.817 31.823 -0.045 0.000 0.680 411 V HN 0.554 nan 8.190 nan 0.000 0.469 412 N N 0.757 119.385 118.700 -0.120 0.000 2.135 412 N HA -0.071 4.669 4.740 0.000 0.000 0.186 412 N C 2.043 177.444 175.510 -0.183 0.000 1.027 412 N CA 1.648 54.626 53.050 -0.120 0.000 0.849 412 N CB -0.426 37.990 38.487 -0.119 0.000 1.002 412 N HN 0.474 nan 8.380 nan 0.000 0.425 413 A N 1.470 124.070 122.820 -0.368 0.000 1.873 413 A HA -0.133 4.187 4.320 0.000 0.000 0.218 413 A C 2.416 179.821 177.584 -0.299 0.000 1.193 413 A CA 2.416 54.033 52.037 -0.699 0.000 0.629 413 A CB -1.109 17.109 19.000 -1.303 0.000 0.826 413 A HN 0.336 nan 8.150 nan 0.000 0.447 414 A N -0.321 122.391 122.820 -0.179 0.000 1.884 414 A HA -0.279 4.041 4.320 0.000 0.000 0.219 414 A C 2.117 179.773 177.584 0.121 0.000 1.197 414 A CA 2.239 54.289 52.037 0.022 0.000 0.637 414 A CB -0.616 18.388 19.000 0.007 0.000 0.827 414 A HN 0.596 nan 8.150 nan 0.000 0.450 415 K N -0.642 119.787 120.400 0.048 0.000 2.001 415 K HA -0.230 4.090 4.320 0.000 0.000 0.214 415 K C 2.255 178.918 176.600 0.105 0.000 1.050 415 K CA 1.868 58.196 56.287 0.068 0.000 0.934 415 K CB -0.251 32.260 32.500 0.019 0.000 0.718 415 K HN 0.518 nan 8.250 nan 0.000 0.443 416 K N 0.431 120.884 120.400 0.089 0.000 2.077 416 K HA -0.246 4.074 4.320 0.000 0.000 0.213 416 K C 2.043 178.744 176.600 0.169 0.000 1.051 416 K CA 1.890 58.248 56.287 0.117 0.000 0.929 416 K CB -0.274 32.323 32.500 0.161 0.000 0.715 416 K HN 0.116 nan 8.250 nan 0.000 0.451 417 F N 0.808 120.857 119.950 0.165 0.000 2.102 417 F HA -0.189 4.338 4.527 0.000 0.000 0.298 417 F C 1.677 177.567 175.800 0.151 0.000 1.105 417 F CA 1.473 59.606 58.000 0.223 0.000 1.239 417 F CB -0.126 39.096 39.000 0.370 0.000 0.991 417 F HN -0.167 nan 8.300 nan 0.000 0.474 418 V N 0.232 120.330 119.914 0.307 0.000 2.759 418 V HA -0.217 3.903 4.120 0.000 0.000 0.256 418 V C 2.361 178.463 176.094 0.012 0.000 1.080 418 V CA 1.637 64.042 62.300 0.175 0.000 1.101 418 V CB -1.260 30.691 31.823 0.213 0.000 0.698 418 V HN 0.567 nan 8.190 nan 0.000 0.477 419 S N 0.571 116.271 115.700 -0.000 0.000 2.412 419 S HA 0.200 4.670 4.470 0.000 0.000 0.223 419 S C 1.510 176.063 174.600 -0.079 0.000 1.048 419 S CA 0.453 58.636 58.200 -0.028 0.000 0.954 419 S CB -0.732 62.465 63.200 -0.006 0.000 0.840 419 S HN 0.577 nan 8.310 nan 0.000 0.503 420 G N 1.670 110.406 108.800 -0.106 0.000 2.771 420 G HA2 0.208 4.168 3.960 0.000 0.000 0.242 420 G HA3 0.208 4.168 3.960 0.000 0.000 0.242 420 G C -0.477 174.302 174.900 -0.201 0.000 1.233 420 G CA -0.506 44.497 45.100 -0.162 0.000 0.858 420 G HN 0.540 nan 8.290 nan 0.000 0.591 421 K N 0.318 120.585 120.400 -0.222 0.000 2.339 421 K HA 0.179 4.499 4.320 0.000 0.000 0.286 421 K C 0.081 176.594 176.600 -0.146 0.000 1.050 421 K CA -0.009 56.184 56.287 -0.156 0.000 0.956 421 K CB 0.296 32.737 32.500 -0.099 0.000 0.990 421 K HN 0.357 nan 8.250 nan 0.000 0.475 422 K N 1.580 121.905 120.400 -0.125 0.000 2.110 422 K HA 0.213 4.534 4.320 0.000 0.000 0.263 422 K C -0.781 175.785 176.600 -0.057 0.000 0.975 422 K CA -0.653 55.561 56.287 -0.122 0.000 0.895 422 K CB 1.658 34.039 32.500 -0.198 0.000 1.060 422 K HN 0.607 nan 8.250 nan 0.000 0.448 423 S N 2.691 118.361 115.700 -0.050 0.000 2.561 423 S HA 0.513 4.983 4.470 0.000 0.000 0.303 423 S C -0.604 173.908 174.600 -0.146 0.000 1.110 423 S CA -0.997 57.114 58.200 -0.148 0.000 1.034 423 S CB 1.096 64.155 63.200 -0.236 0.000 1.010 423 S HN 0.660 nan 8.310 nan 0.000 0.482 424 M N 3.120 122.620 119.600 -0.166 0.000 2.598 424 M HA 0.800 5.281 4.480 0.000 0.000 0.317 424 M C -1.650 174.548 176.300 -0.170 0.000 1.179 424 M CA -0.720 54.479 55.300 -0.168 0.000 0.936 424 M CB 2.062 34.577 32.600 -0.141 0.000 1.713 424 M HN 0.981 nan 8.290 nan 0.000 0.460 425 A N 2.734 125.447 122.820 -0.177 0.000 2.402 425 A HA 0.866 5.186 4.320 0.000 0.000 0.291 425 A C -1.581 175.902 177.584 -0.170 0.000 1.051 425 A CA -0.409 51.540 52.037 -0.147 0.000 0.716 425 A CB 1.182 20.116 19.000 -0.108 0.000 1.223 425 A HN 1.069 nan 8.150 nan 0.000 0.425 426 A N 1.375 124.104 122.820 -0.151 0.000 2.515 426 A HA 0.978 5.298 4.320 0.000 0.000 0.296 426 A C -0.259 177.253 177.584 -0.119 0.000 1.094 426 A CA 0.003 51.948 52.037 -0.153 0.000 0.718 426 A CB 1.549 20.446 19.000 -0.172 0.000 1.307 426 A HN 2.308 nan 8.150 nan 0.000 0.408 427 S N 0.047 115.685 115.700 -0.104 0.000 2.546 427 S HA 0.910 5.380 4.470 0.000 0.000 0.272 427 S C -0.142 174.407 174.600 -0.084 0.000 1.140 427 S CA 0.313 58.451 58.200 -0.104 0.000 0.920 427 S CB 1.180 64.297 63.200 -0.138 0.000 1.083 427 S HN 2.825 nan 8.310 nan 0.000 0.476 428 G N 1.520 110.277 108.800 -0.073 0.000 2.278 428 G HA2 0.106 4.067 3.960 0.000 0.000 0.265 428 G HA3 0.106 4.067 3.960 0.000 0.000 0.265 428 G C -1.769 173.133 174.900 0.005 0.000 1.329 428 G CA -0.383 44.708 45.100 -0.015 0.000 1.017 428 G HN 0.816 nan 8.290 nan 0.000 0.472 429 D N 1.500 121.918 120.400 0.029 0.000 2.508 429 D HA 0.271 4.911 4.640 0.000 0.000 0.224 429 D C 1.762 178.049 176.300 -0.022 0.000 1.171 429 D CA -0.247 53.759 54.000 0.010 0.000 1.006 429 D CB 0.034 40.845 40.800 0.018 0.000 1.073 429 D HN 0.365 nan 8.370 nan 0.000 0.513 430 L N 2.131 123.327 121.223 -0.045 0.000 2.622 430 L HA 0.038 4.378 4.340 0.000 0.000 0.233 430 L C 2.535 179.358 176.870 -0.077 0.000 1.156 430 L CA 0.263 55.053 54.840 -0.084 0.000 0.866 430 L CB -0.288 41.691 42.059 -0.133 0.000 0.980 430 L HN 0.356 nan 8.230 nan 0.000 0.448 431 G N 0.193 108.968 108.800 -0.041 0.000 2.596 431 G HA2 -0.323 3.637 3.960 0.000 0.000 0.223 431 G HA3 -0.323 3.637 3.960 0.000 0.000 0.223 431 G C 1.590 176.480 174.900 -0.017 0.000 1.120 431 G CA 1.462 46.550 45.100 -0.019 0.000 0.752 431 G HN 0.453 nan 8.290 nan 0.000 0.596 432 S N -0.572 115.106 115.700 -0.036 0.000 2.539 432 S HA 0.188 4.658 4.470 0.000 0.000 0.221 432 S C 0.774 175.350 174.600 -0.040 0.000 0.987 432 S CA -0.176 58.006 58.200 -0.030 0.000 0.929 432 S CB 0.603 63.776 63.200 -0.045 0.000 0.832 432 S HN 0.319 nan 8.310 nan 0.000 0.492 433 T N 5.169 119.678 114.554 -0.075 0.000 2.907 433 T HA 0.285 4.635 4.350 0.000 0.000 0.298 433 T C -2.278 172.345 174.700 -0.128 0.000 1.017 433 T CA -0.847 61.191 62.100 -0.103 0.000 1.118 433 T CB 0.887 69.668 68.868 -0.146 0.000 0.948 433 T HN 0.159 nan 8.240 nan 0.000 0.531 434 P HA 0.453 nan 4.420 nan 0.000 0.281 434 P C -0.935 176.306 177.300 -0.098 0.000 1.264 434 P CA -0.702 62.389 63.100 -0.016 0.000 0.824 434 P CB 0.779 32.507 31.700 0.046 0.000 1.092 435 F N 0.083 120.026 119.950 -0.011 0.000 2.378 435 F HA 0.147 4.674 4.527 0.000 0.000 0.325 435 F C 1.955 177.745 175.800 -0.018 0.000 1.097 435 F CA -0.507 57.481 58.000 -0.020 0.000 1.079 435 F CB 0.108 39.096 39.000 -0.019 0.000 1.240 435 F HN 0.102 nan 8.300 nan 0.000 0.519 436 L N 1.734 123.054 121.223 0.161 0.000 2.129 436 L HA -0.219 4.121 4.340 0.000 0.000 0.212 436 L C 1.715 178.631 176.870 0.076 0.000 1.087 436 L CA 1.874 56.758 54.840 0.073 0.000 0.757 436 L CB -1.029 41.038 42.059 0.014 0.000 0.896 436 L HN 0.722 nan 8.230 nan 0.000 0.434 437 D N -1.976 118.480 120.400 0.093 0.000 2.323 437 D HA -0.080 4.560 4.640 0.000 0.000 0.239 437 D C 0.944 177.277 176.300 0.054 0.000 1.129 437 D CA 0.368 54.396 54.000 0.048 0.000 0.865 437 D CB -0.336 40.471 40.800 0.012 0.000 0.913 437 D HN 0.519 nan 8.370 nan 0.000 0.517 438 E N -0.146 120.107 120.200 0.089 0.000 2.603 438 E HA 0.251 4.601 4.350 0.000 0.000 0.211 438 E C 0.198 176.840 176.600 0.070 0.000 0.995 438 E CA -0.128 56.320 56.400 0.080 0.000 0.990 438 E CB 0.838 30.607 29.700 0.116 0.000 1.036 438 E HN 0.347 nan 8.360 nan 0.000 0.475 439 L N 0.000 121.267 121.223 0.073 0.000 2.949 439 L HA 0.000 4.340 4.340 0.000 0.000 0.249 439 L CA 0.000 54.888 54.840 0.080 0.000 0.813 439 L CB 0.000 42.130 42.059 0.118 0.000 0.961 439 L HN 0.000 nan 8.230 nan 0.000 0.502