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 3bl8_1_A DATA FIRST_RESID 40 DATA SEQUENCE QKPVVNTAYG RVRGVRRELN NEILGPVVQF LGVPYATPPL GARRFQPPEA DATA SEQUENCE PASWPGVRNA TTLPPAcPQN LHGALPAIML PVWFTDNLEA AATYVQNQSE DATA SEQUENCE DcLYLNLYVP TEDGPLTKKX XXXXXXXXXX XXXDSGKKPV MLFLHGGSYM DATA SEQUENCE EGTGNMFDGS VLAAYGNVIV VTLNYRLGVL GFLSTGDQAA KGNYGLLDQI DATA SEQUENCE QALRWLSENI AHFGGDPERI TIFGSGAGAS CVNLLILSHH SEGLFQKAIA DATA SEQUENCE QSGTAISSWS VNYQPLKYTR LLAAKVGcDR EDSTEAVEcL RRKSSRELVD DATA SEQUENCE QDVQPARYHI AFGPVVDGDV VPDDPEILMQ QGEFLNYDML IGVNQGEGLK DATA SEQUENCE FVEDSAESED GVSASAFDFT VSNFVDNLYG YPEGKDVLRE TIKFMYTDWA DATA SEQUENCE DRDNGEMRRK TLLALFTDHQ WVAPAVATAK LHADYQSPVY FYTFYHHcQA DATA SEQUENCE EGRPEWADAA HGDELPYVFG VPMVGATDLF PcNFSKNDVM LSAVVMTYWT DATA SEQUENCE NFAKTGDPNQ PVPQDTKFIH TKPNRFEEVV WSKFNSKEKQ YLHIGLKPRV DATA SEQUENCE RDNYRANKVA FWLELVPHLH 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 40 Q HA 0.000 nan 4.340 nan 0.000 0.214 40 Q C 0.000 175.988 176.000 -0.021 0.000 1.003 40 Q CA 0.000 55.797 55.803 -0.009 0.000 1.022 40 Q CB 0.000 28.735 28.738 -0.006 0.000 1.108 41 K N 3.025 123.420 120.400 -0.008 0.000 2.675 41 K HA 0.483 4.802 4.320 -0.001 0.000 0.224 41 K C -2.763 173.859 176.600 0.036 0.000 1.003 41 K CA -1.574 54.706 56.287 -0.011 0.000 1.034 41 K CB 2.079 34.575 32.500 -0.008 0.000 1.218 41 K HN 0.515 nan 8.250 nan 0.000 0.507 42 P HA -0.055 nan 4.420 nan 0.000 0.271 42 P C -0.437 176.999 177.300 0.227 0.000 1.238 42 P CA -0.424 62.761 63.100 0.141 0.000 0.794 42 P CB 0.534 32.355 31.700 0.202 0.000 0.959 43 V N -1.739 118.285 119.914 0.182 0.000 2.546 43 V HA 0.232 4.351 4.120 -0.001 0.000 0.260 43 V C 0.003 176.100 176.094 0.005 0.000 0.933 43 V CA -0.977 61.406 62.300 0.139 0.000 0.994 43 V CB 0.504 32.380 31.823 0.089 0.000 1.160 43 V HN 0.435 nan 8.190 nan 0.000 0.523 44 V N 2.810 122.656 119.914 -0.115 0.000 2.681 44 V HA 0.084 4.203 4.120 -0.001 0.000 0.306 44 V C 0.684 176.574 176.094 -0.339 0.000 1.077 44 V CA 0.923 62.980 62.300 -0.405 0.000 1.224 44 V CB 0.926 32.095 31.823 -1.091 0.000 0.879 44 V HN 1.039 nan 8.190 nan 0.000 0.494 45 N N 4.860 123.370 118.700 -0.317 0.000 2.439 45 N HA 0.282 5.022 4.740 -0.001 0.000 0.249 45 N C -0.027 175.211 175.510 -0.453 0.000 1.003 45 N CA -0.038 52.838 53.050 -0.290 0.000 0.942 45 N CB 1.303 39.642 38.487 -0.247 0.000 1.115 45 N HN 0.963 nan 8.380 nan 0.000 0.505 46 T N 0.400 114.784 114.554 -0.284 0.000 2.867 46 T HA 0.431 4.780 4.350 -0.001 0.000 0.286 46 T C 1.201 175.699 174.700 -0.337 0.000 1.022 46 T CA -0.503 61.474 62.100 -0.205 0.000 0.933 46 T CB 1.008 70.004 68.868 0.214 0.000 1.280 46 T HN 0.394 nan 8.240 nan 0.000 0.566 47 A N -0.861 121.784 122.820 -0.291 0.000 2.278 47 A HA 0.345 4.664 4.320 -0.001 0.000 0.212 47 A C 0.828 177.954 177.584 -0.764 0.000 1.213 47 A CA -0.106 51.637 52.037 -0.490 0.000 0.840 47 A CB -0.901 17.798 19.000 -0.502 0.000 0.866 47 A HN 0.855 nan 8.150 nan 0.000 0.489 48 Y N -2.301 117.826 120.300 -0.288 0.000 2.441 48 Y HA 0.432 4.981 4.550 -0.001 0.000 0.266 48 Y C 1.361 176.503 175.900 -1.263 0.000 1.093 48 Y CA 0.172 57.960 58.100 -0.521 0.000 1.246 48 Y CB 0.952 39.272 38.460 -0.233 0.000 1.262 48 Y HN 0.388 nan 8.280 nan 0.000 0.518 49 G N 0.175 108.375 108.800 -0.999 0.000 2.393 49 G HA2 0.422 4.381 3.960 -0.001 0.000 0.264 49 G HA3 0.422 4.381 3.960 -0.001 0.000 0.264 49 G C -1.656 173.108 174.900 -0.226 0.000 1.221 49 G CA -1.181 43.311 45.100 -1.014 0.000 0.912 49 G HN -0.113 nan 8.290 nan 0.000 0.483 50 R N -0.212 120.384 120.500 0.159 0.000 2.494 50 R HA 0.626 4.965 4.340 -0.001 0.000 0.305 50 R C -0.498 176.035 176.300 0.389 0.000 0.959 50 R CA -0.706 55.513 56.100 0.198 0.000 0.864 50 R CB 2.290 32.654 30.300 0.106 0.000 1.159 50 R HN 0.729 nan 8.270 nan 0.000 0.446 51 V N -0.080 119.998 119.914 0.273 0.000 2.581 51 V HA 0.624 4.744 4.120 -0.001 0.000 0.303 51 V C -0.325 175.956 176.094 0.312 0.000 1.041 51 V CA -0.984 61.498 62.300 0.303 0.000 0.907 51 V CB 1.813 33.849 31.823 0.354 0.000 0.994 51 V HN 0.767 nan 8.190 nan 0.000 0.442 52 R N 2.741 123.430 120.500 0.315 0.000 2.360 52 R HA 0.716 5.055 4.340 -0.001 0.000 0.318 52 R C -0.193 176.252 176.300 0.242 0.000 0.950 52 R CA -0.092 56.178 56.100 0.283 0.000 0.837 52 R CB 1.528 31.913 30.300 0.142 0.000 1.165 52 R HN 1.164 nan 8.270 nan 0.000 0.458 53 G N 2.747 111.631 108.800 0.139 0.000 2.495 53 G HA2 0.405 4.364 3.960 -0.001 0.000 0.318 53 G HA3 0.405 4.364 3.960 -0.001 0.000 0.318 53 G C -0.343 174.384 174.900 -0.288 0.000 1.257 53 G CA -0.646 44.288 45.100 -0.278 0.000 0.962 53 G HN 0.522 nan 8.290 nan 0.000 0.483 54 V N 0.222 120.003 119.914 -0.222 0.000 2.740 54 V HA 0.510 4.629 4.120 -0.001 0.000 0.303 54 V C 0.588 176.569 176.094 -0.188 0.000 1.054 54 V CA -0.848 61.357 62.300 -0.159 0.000 1.106 54 V CB 0.818 32.576 31.823 -0.109 0.000 0.957 54 V HN 0.804 nan 8.190 nan 0.000 0.486 55 R N 3.848 124.276 120.500 -0.121 0.000 2.404 55 R HA 0.548 4.887 4.340 -0.001 0.000 0.291 55 R C -0.648 175.617 176.300 -0.058 0.000 1.025 55 R CA -0.748 55.298 56.100 -0.090 0.000 0.991 55 R CB 0.739 31.007 30.300 -0.054 0.000 1.053 55 R HN 0.860 nan 8.270 nan 0.000 0.479 56 R N 2.839 123.316 120.500 -0.038 0.000 2.575 56 R HA 0.218 4.557 4.340 -0.001 0.000 0.293 56 R C -1.004 175.297 176.300 0.001 0.000 0.983 56 R CA -0.856 55.235 56.100 -0.016 0.000 0.887 56 R CB 1.946 32.243 30.300 -0.005 0.000 1.184 56 R HN 0.650 nan 8.270 nan 0.000 0.445 57 E N 2.601 122.802 120.200 0.001 0.000 2.259 57 E HA 0.167 4.516 4.350 -0.001 0.000 0.281 57 E C -0.049 176.557 176.600 0.010 0.000 1.037 57 E CA -0.744 55.659 56.400 0.005 0.000 0.854 57 E CB 1.369 31.070 29.700 0.001 0.000 1.051 57 E HN 0.144 nan 8.360 nan 0.000 0.409 58 L N 2.885 124.116 121.223 0.013 0.000 2.418 58 L HA 0.083 4.422 4.340 -0.001 0.000 0.265 58 L C 0.946 177.819 176.870 0.005 0.000 1.143 58 L CA -0.101 54.746 54.840 0.013 0.000 0.809 58 L CB 0.287 42.356 42.059 0.016 0.000 1.124 58 L HN 0.369 nan 8.230 nan 0.000 0.456 59 N N 2.812 121.514 118.700 0.003 0.000 3.210 59 N HA 0.031 4.770 4.740 -0.001 0.000 0.314 59 N C -1.017 174.493 175.510 -0.001 0.000 1.291 59 N CA 0.337 53.387 53.050 0.001 0.000 1.202 59 N CB -0.503 37.984 38.487 0.001 0.000 1.475 59 N HN 0.514 nan 8.380 nan 0.000 0.554 60 N N -0.007 118.694 118.700 0.000 0.000 2.636 60 N HA 0.037 4.776 4.740 -0.001 0.000 0.261 60 N C 0.092 175.604 175.510 0.003 0.000 1.195 60 N CA -0.324 52.727 53.050 0.002 0.000 0.902 60 N CB 1.132 39.615 38.487 -0.008 0.000 1.627 60 N HN 0.121 nan 8.380 nan 0.000 0.491 61 E N 1.062 121.268 120.200 0.011 0.000 2.031 61 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 61 E C 1.583 178.181 176.600 -0.004 0.000 0.994 61 E CA 1.847 58.253 56.400 0.010 0.000 0.800 61 E CB 0.037 29.752 29.700 0.023 0.000 0.752 61 E HN 0.684 nan 8.360 nan 0.000 0.447 62 I N -1.155 119.405 120.570 -0.017 0.000 3.111 62 I HA 0.030 4.199 4.170 -0.001 0.000 0.272 62 I C 0.553 176.630 176.117 -0.066 0.000 1.268 62 I CA 0.362 61.627 61.300 -0.058 0.000 1.467 62 I CB 0.061 37.983 38.000 -0.130 0.000 1.087 62 I HN -0.148 nan 8.210 nan 0.000 0.467 63 L N 2.477 123.676 121.223 -0.040 0.000 2.275 63 L HA 0.568 4.907 4.340 -0.001 0.000 0.288 63 L C 0.899 177.763 176.870 -0.009 0.000 1.046 63 L CA -0.595 54.232 54.840 -0.021 0.000 0.805 63 L CB 1.127 43.181 42.059 -0.008 0.000 1.193 63 L HN 0.203 nan 8.230 nan 0.000 0.426 64 G N 3.318 112.114 108.800 -0.006 0.000 2.616 64 G HA2 0.433 4.392 3.960 -0.001 0.000 0.268 64 G HA3 0.433 4.392 3.960 -0.001 0.000 0.268 64 G C -2.456 172.452 174.900 0.014 0.000 1.213 64 G CA -0.916 44.185 45.100 0.001 0.000 0.926 64 G HN 0.362 nan 8.290 nan 0.000 0.523 65 P HA 0.258 nan 4.420 nan 0.000 0.271 65 P C -0.422 176.898 177.300 0.033 0.000 1.244 65 P CA -0.066 63.045 63.100 0.019 0.000 0.793 65 P CB 1.345 33.052 31.700 0.011 0.000 0.984 66 V N -0.031 119.904 119.914 0.035 0.000 2.733 66 V HA 0.332 4.452 4.120 -0.001 0.000 0.306 66 V C -0.747 175.348 176.094 0.000 0.000 1.084 66 V CA -0.933 61.399 62.300 0.052 0.000 0.905 66 V CB 1.926 33.815 31.823 0.111 0.000 1.010 66 V HN 0.212 nan 8.190 nan 0.000 0.424 67 V N 5.930 125.834 119.914 -0.016 0.000 2.508 67 V HA 0.353 4.472 4.120 -0.001 0.000 0.281 67 V C 0.366 176.296 176.094 -0.274 0.000 1.041 67 V CA 0.084 62.289 62.300 -0.159 0.000 1.016 67 V CB 0.850 32.601 31.823 -0.120 0.000 0.984 67 V HN 1.010 nan 8.190 nan 0.000 0.478 68 Q N 3.510 123.046 119.800 -0.440 0.000 2.322 68 Q HA 0.512 4.851 4.340 -0.001 0.000 0.265 68 Q C -1.377 174.242 176.000 -0.634 0.000 0.985 68 Q CA -0.322 55.196 55.803 -0.475 0.000 0.849 68 Q CB 1.897 30.413 28.738 -0.369 0.000 1.274 68 Q HN 0.711 nan 8.270 nan 0.000 0.449 69 F N 3.599 123.494 119.950 -0.092 0.000 2.307 69 F HA 0.334 4.860 4.527 -0.001 0.000 0.369 69 F C -0.397 175.357 175.800 -0.076 0.000 1.076 69 F CA -0.544 57.459 58.000 0.005 0.000 1.149 69 F CB 0.561 39.683 39.000 0.202 0.000 1.410 69 F HN 0.224 nan 8.300 nan 0.000 0.481 70 L N 2.538 123.771 121.223 0.017 0.000 2.292 70 L HA 0.528 4.867 4.340 -0.001 0.000 0.284 70 L C 1.031 177.887 176.870 -0.025 0.000 1.065 70 L CA -0.562 54.260 54.840 -0.030 0.000 0.806 70 L CB 1.205 43.222 42.059 -0.069 0.000 1.175 70 L HN 0.846 nan 8.230 nan 0.000 0.431 71 G N 2.813 111.602 108.800 -0.018 0.000 2.246 71 G HA2 -0.236 3.724 3.960 -0.001 0.000 0.273 71 G HA3 -0.236 3.724 3.960 -0.001 0.000 0.273 71 G C -0.146 174.622 174.900 -0.219 0.000 1.055 71 G CA 0.301 45.335 45.100 -0.110 0.000 0.851 71 G HN 0.522 nan 8.290 nan 0.000 0.500 72 V N 1.327 121.196 119.914 -0.075 0.000 2.555 72 V HA 0.612 4.731 4.120 -0.001 0.000 0.286 72 V C -1.493 174.561 176.094 -0.066 0.000 1.044 72 V CA -1.630 60.618 62.300 -0.087 0.000 1.026 72 V CB 1.233 33.076 31.823 0.034 0.000 0.981 72 V HN 0.257 nan 8.190 nan 0.000 0.480 73 P HA 0.173 nan 4.420 nan 0.000 0.281 73 P C -0.897 176.341 177.300 -0.103 0.000 1.252 73 P CA 0.105 63.308 63.100 0.172 0.000 0.778 73 P CB 0.498 32.277 31.700 0.131 0.000 0.895 74 Y N 1.708 121.890 120.300 -0.197 0.000 2.481 74 Y HA 0.726 5.275 4.550 -0.001 0.000 0.247 74 Y C 0.090 175.977 175.900 -0.022 0.000 1.151 74 Y CA -0.796 57.143 58.100 -0.268 0.000 1.238 74 Y CB 0.170 38.473 38.460 -0.262 0.000 1.179 74 Y HN 0.460 nan 8.280 nan 0.000 0.524 75 A N -0.041 122.570 122.820 -0.349 0.000 2.602 75 A HA 0.625 4.944 4.320 -0.001 0.000 0.290 75 A C -0.553 176.924 177.584 -0.179 0.000 1.114 75 A CA -0.753 51.151 52.037 -0.223 0.000 0.683 75 A CB 0.311 19.130 19.000 -0.303 0.000 1.281 75 A HN 0.127 nan 8.150 nan 0.000 0.416 76 T N 2.950 117.445 114.554 -0.099 0.000 2.916 76 T HA 0.428 4.777 4.350 -0.001 0.000 0.303 76 T C -2.477 172.145 174.700 -0.131 0.000 1.025 76 T CA -0.153 61.903 62.100 -0.074 0.000 1.142 76 T CB 0.080 68.930 68.868 -0.031 0.000 0.947 76 T HN 0.397 nan 8.240 nan 0.000 0.544 77 P HA 0.144 nan 4.420 nan 0.000 0.267 77 P C -2.198 175.010 177.300 -0.153 0.000 1.209 77 P CA -1.297 61.704 63.100 -0.164 0.000 0.763 77 P CB -0.141 31.496 31.700 -0.105 0.000 0.816 78 P HA 0.106 nan 4.420 nan 0.000 0.226 78 P C 0.176 177.355 177.300 -0.201 0.000 1.783 78 P CA 0.297 63.281 63.100 -0.194 0.000 0.980 78 P CB -0.076 31.486 31.700 -0.230 0.000 1.967 79 L N -0.350 120.783 121.223 -0.151 0.000 2.269 79 L HA 0.190 4.529 4.340 -0.001 0.000 0.200 79 L C 2.041 178.841 176.870 -0.118 0.000 1.069 79 L CA 1.044 55.804 54.840 -0.133 0.000 0.804 79 L CB -0.704 41.297 42.059 -0.096 0.000 0.987 79 L HN 0.222 nan 8.230 nan 0.000 0.468 80 G N -0.576 108.169 108.800 -0.091 0.000 3.311 80 G HA2 0.181 4.140 3.960 -0.001 0.000 0.169 80 G HA3 0.181 4.140 3.960 -0.001 0.000 0.169 80 G C 0.843 175.704 174.900 -0.065 0.000 1.852 80 G CA 0.367 45.428 45.100 -0.065 0.000 1.010 80 G HN 0.257 nan 8.290 nan 0.000 0.530 81 A N -0.509 122.288 122.820 -0.038 0.000 2.223 81 A HA 0.238 4.557 4.320 -0.001 0.000 0.222 81 A C 1.963 179.520 177.584 -0.045 0.000 1.317 81 A CA 0.224 52.247 52.037 -0.023 0.000 0.985 81 A CB -0.369 18.631 19.000 -0.000 0.000 0.858 81 A HN 0.433 nan 8.150 nan 0.000 0.496 82 R N -0.780 119.667 120.500 -0.087 0.000 2.308 82 R HA 0.106 4.445 4.340 -0.001 0.000 0.202 82 R C 0.980 177.147 176.300 -0.222 0.000 0.898 82 R CA -0.227 55.801 56.100 -0.120 0.000 1.046 82 R CB 0.184 30.421 30.300 -0.105 0.000 1.026 82 R HN 0.516 nan 8.270 nan 0.000 0.512 83 R N 0.873 121.208 120.500 -0.276 0.000 2.590 83 R HA -0.065 4.274 4.340 -0.001 0.000 0.274 83 R C -0.626 175.355 176.300 -0.532 0.000 1.061 83 R CA 0.178 55.964 56.100 -0.525 0.000 1.081 83 R CB 0.187 30.127 30.300 -0.601 0.000 0.984 83 R HN 0.004 nan 8.270 nan 0.000 0.448 84 F N 0.840 120.463 119.950 -0.545 0.000 2.969 84 F HA -0.270 4.256 4.527 -0.001 0.000 0.273 84 F C -0.275 174.984 175.800 -0.902 0.000 0.986 84 F CA 0.871 58.299 58.000 -0.953 0.000 0.926 84 F CB -1.457 37.406 39.000 -0.229 0.000 0.887 84 F HN 0.556 nan 8.300 nan 0.000 0.816 85 Q N -0.887 118.419 119.800 -0.823 0.000 2.462 85 Q HA 0.516 4.855 4.340 -0.001 0.000 0.285 85 Q C -2.587 173.352 176.000 -0.102 0.000 1.035 85 Q CA -1.890 53.764 55.803 -0.249 0.000 0.799 85 Q CB 2.736 31.402 28.738 -0.120 0.000 1.452 85 Q HN -0.158 nan 8.270 nan 0.000 0.404 86 P HA 0.218 nan 4.420 nan 0.000 0.274 86 P C -2.427 174.935 177.300 0.105 0.000 1.237 86 P CA -1.051 62.176 63.100 0.211 0.000 0.793 86 P CB -0.218 31.622 31.700 0.233 0.000 0.977 87 P HA 0.146 nan 4.420 nan 0.000 0.278 87 P C -0.652 176.700 177.300 0.088 0.000 1.238 87 P CA -0.109 63.029 63.100 0.063 0.000 0.794 87 P CB 0.856 32.608 31.700 0.086 0.000 0.955 88 E N 0.988 121.219 120.200 0.051 0.000 2.235 88 E HA 0.644 4.993 4.350 -0.001 0.000 0.265 88 E C -0.424 176.222 176.600 0.077 0.000 0.940 88 E CA -1.449 54.996 56.400 0.076 0.000 0.819 88 E CB 1.197 30.933 29.700 0.060 0.000 1.206 88 E HN 0.411 nan 8.360 nan 0.000 0.409 89 A N 2.281 125.172 122.820 0.119 0.000 2.555 89 A HA 0.218 4.537 4.320 -0.001 0.000 0.233 89 A C -2.003 175.595 177.584 0.023 0.000 1.060 89 A CA -0.714 51.404 52.037 0.133 0.000 0.759 89 A CB -0.651 18.495 19.000 0.244 0.000 0.995 89 A HN 0.487 nan 8.150 nan 0.000 0.506 90 P HA 0.377 nan 4.420 nan 0.000 0.276 90 P C -0.439 176.823 177.300 -0.063 0.000 1.252 90 P CA -0.174 62.829 63.100 -0.162 0.000 0.802 90 P CB 0.694 32.257 31.700 -0.228 0.000 1.035 91 A N 1.219 124.093 122.820 0.091 0.000 2.409 91 A HA 0.266 4.585 4.320 -0.001 0.000 0.262 91 A C 0.621 178.402 177.584 0.329 0.000 1.113 91 A CA -0.045 52.106 52.037 0.190 0.000 0.790 91 A CB -0.506 18.593 19.000 0.164 0.000 1.046 91 A HN 0.431 nan 8.150 nan 0.000 0.496 92 S N 2.930 118.802 115.700 0.285 0.000 2.430 92 S HA 0.382 4.851 4.470 -0.001 0.000 0.282 92 S C -0.168 174.521 174.600 0.148 0.000 1.186 92 S CA -0.420 57.889 58.200 0.181 0.000 1.060 92 S CB -0.406 62.850 63.200 0.092 0.000 0.966 92 S HN 0.657 nan 8.310 nan 0.000 0.501 93 W N 6.192 127.573 121.300 0.135 0.000 2.303 93 W HA 0.578 5.237 4.660 -0.001 0.000 0.334 93 W C -2.165 174.395 176.519 0.067 0.000 1.197 93 W CA -2.050 55.346 57.345 0.084 0.000 1.262 93 W CB -0.318 29.186 29.460 0.072 0.000 1.153 93 W HN 0.370 nan 8.180 nan 0.000 0.596 94 P HA 0.152 nan 4.420 nan 0.000 0.228 94 P C 0.868 178.255 177.300 0.145 0.000 1.166 94 P CA 0.871 64.025 63.100 0.090 0.000 0.812 94 P CB 0.276 32.028 31.700 0.085 0.000 0.857 95 G N 0.318 109.299 108.800 0.302 0.000 2.504 95 G HA2 0.349 4.309 3.960 -0.001 0.000 0.257 95 G HA3 0.349 4.309 3.960 -0.001 0.000 0.257 95 G C -0.765 174.349 174.900 0.357 0.000 1.451 95 G CA -0.249 45.007 45.100 0.260 0.000 1.059 95 G HN 0.129 nan 8.290 nan 0.000 0.550 96 V N 0.182 120.247 119.914 0.252 0.000 2.384 96 V HA 0.601 4.720 4.120 -0.001 0.000 0.287 96 V C 0.134 176.327 176.094 0.166 0.000 1.020 96 V CA -0.964 61.487 62.300 0.251 0.000 0.850 96 V CB 1.141 33.050 31.823 0.143 0.000 0.987 96 V HN 0.648 nan 8.190 nan 0.000 0.436 97 R N 4.494 125.109 120.500 0.191 0.000 2.457 97 R HA 0.399 4.738 4.340 -0.001 0.000 0.284 97 R C -0.471 175.813 176.300 -0.026 0.000 1.024 97 R CA -0.606 55.422 56.100 -0.120 0.000 1.025 97 R CB 0.849 30.869 30.300 -0.467 0.000 1.063 97 R HN 0.740 nan 8.270 nan 0.000 0.493 98 N N 1.747 120.390 118.700 -0.096 0.000 2.918 98 N HA 0.148 4.887 4.740 -0.001 0.000 0.247 98 N C -0.926 174.561 175.510 -0.038 0.000 1.117 98 N CA -0.038 52.988 53.050 -0.040 0.000 1.005 98 N CB 1.490 39.943 38.487 -0.057 0.000 1.297 98 N HN 0.534 nan 8.380 nan 0.000 0.513 99 A N 1.467 124.324 122.820 0.061 0.000 3.026 99 A HA 0.154 4.473 4.320 -0.001 0.000 0.272 99 A C 1.357 178.962 177.584 0.035 0.000 1.782 99 A CA 0.036 52.131 52.037 0.097 0.000 1.451 99 A CB -0.315 18.905 19.000 0.366 0.000 1.081 99 A HN 0.472 nan 8.150 nan 0.000 0.611 100 T N -0.323 114.212 114.554 -0.031 0.000 3.125 100 T HA 0.152 4.501 4.350 -0.001 0.000 0.252 100 T C 0.977 175.637 174.700 -0.066 0.000 0.981 100 T CA 1.319 63.386 62.100 -0.054 0.000 1.069 100 T CB -0.032 68.808 68.868 -0.047 0.000 1.091 100 T HN 0.635 nan 8.240 nan 0.000 0.460 101 T N 0.846 115.359 114.554 -0.069 0.000 2.945 101 T HA 0.722 5.072 4.350 -0.001 0.000 0.286 101 T C -0.030 174.633 174.700 -0.062 0.000 1.025 101 T CA -0.815 61.246 62.100 -0.066 0.000 1.039 101 T CB 1.236 70.063 68.868 -0.069 0.000 1.068 101 T HN 0.235 nan 8.240 nan 0.000 0.497 102 L N 2.783 123.981 121.223 -0.041 0.000 2.461 102 L HA 0.308 4.647 4.340 -0.001 0.000 0.272 102 L C -1.501 175.358 176.870 -0.017 0.000 1.197 102 L CA -1.696 53.135 54.840 -0.014 0.000 0.836 102 L CB 0.440 42.504 42.059 0.008 0.000 1.105 102 L HN 0.580 nan 8.230 nan 0.000 0.477 103 P HA 0.266 nan 4.420 nan 0.000 0.276 103 P C -2.657 174.698 177.300 0.092 0.000 1.261 103 P CA -1.447 61.697 63.100 0.072 0.000 0.800 103 P CB -0.194 31.665 31.700 0.264 0.000 1.066 104 P HA 0.171 nan 4.420 nan 0.000 0.273 104 P C -0.764 176.577 177.300 0.068 0.000 1.250 104 P CA -0.085 63.059 63.100 0.074 0.000 0.793 104 P CB 0.295 32.037 31.700 0.070 0.000 1.011 105 A N 0.603 123.443 122.820 0.034 0.000 2.324 105 A HA 0.447 4.766 4.320 -0.001 0.000 0.330 105 A C 0.082 177.654 177.584 -0.019 0.000 1.165 105 A CA -0.550 51.499 52.037 0.020 0.000 0.813 105 A CB 0.194 19.219 19.000 0.041 0.000 1.197 105 A HN 0.618 nan 8.150 nan 0.000 0.484 106 c N 2.530 121.099 118.600 -0.053 0.000 2.679 106 c HA 0.315 4.884 4.570 -0.001 0.000 0.417 106 c C -2.084 171.961 174.090 -0.076 0.000 1.302 106 c CA -0.346 55.926 56.329 -0.096 0.000 1.973 106 c CB -0.452 41.968 42.510 -0.151 0.000 2.715 106 c HN 0.625 nan 8.230 nan 0.000 0.628 107 P HA 0.147 nan 4.420 nan 0.000 0.267 107 P C -0.529 176.739 177.300 -0.053 0.000 1.209 107 P CA 0.538 63.602 63.100 -0.061 0.000 0.763 107 P CB 0.250 31.904 31.700 -0.076 0.000 0.816 108 Q N 1.989 121.776 119.800 -0.021 0.000 2.553 108 Q HA 0.509 4.848 4.340 -0.001 0.000 0.293 108 Q C -1.420 174.591 176.000 0.019 0.000 1.038 108 Q CA -1.087 54.713 55.803 -0.005 0.000 0.777 108 Q CB 1.643 30.387 28.738 0.010 0.000 1.487 108 Q HN 0.157 nan 8.270 nan 0.000 0.426 109 N N 1.006 119.724 118.700 0.030 0.000 2.623 109 N HA 0.193 4.932 4.740 -0.001 0.000 0.256 109 N C -0.223 175.318 175.510 0.052 0.000 1.045 109 N CA -0.384 52.696 53.050 0.050 0.000 0.863 109 N CB 0.813 39.328 38.487 0.047 0.000 1.182 109 N HN 0.734 nan 8.380 nan 0.000 0.523 110 L N 1.615 122.865 121.223 0.045 0.000 2.622 110 L HA 0.030 4.369 4.340 -0.001 0.000 0.233 110 L C 0.013 176.710 176.870 -0.288 0.000 1.156 110 L CA 0.904 55.703 54.840 -0.069 0.000 0.866 110 L CB -0.565 41.435 42.059 -0.099 0.000 0.980 110 L HN 0.687 nan 8.230 nan 0.000 0.448 111 H N -1.263 117.822 119.070 0.025 0.000 2.386 111 H HA 0.398 4.953 4.556 -0.001 0.000 0.232 111 H C 0.639 175.979 175.328 0.019 0.000 1.416 111 H CA 0.603 56.659 56.048 0.013 0.000 1.285 111 H CB 0.851 30.614 29.762 0.000 0.000 1.625 111 H HN 0.237 nan 8.280 nan 0.000 0.521 112 G N 0.292 109.136 108.800 0.072 0.000 3.249 112 G HA2 0.125 4.084 3.960 -0.001 0.000 0.124 112 G HA3 0.125 4.084 3.960 -0.001 0.000 0.124 112 G C -0.410 174.518 174.900 0.046 0.000 1.128 112 G CA 0.064 45.202 45.100 0.063 0.000 1.461 112 G HN 0.400 nan 8.290 nan 0.000 0.683 113 A N 0.386 123.235 122.820 0.048 0.000 2.540 113 A HA 0.462 4.781 4.320 -0.001 0.000 0.264 113 A C -0.065 177.540 177.584 0.035 0.000 1.080 113 A CA 0.658 52.722 52.037 0.046 0.000 0.776 113 A CB -0.058 18.976 19.000 0.056 0.000 1.011 113 A HN 1.197 nan 8.150 nan 0.000 0.514 114 L N 6.044 127.285 121.223 0.030 0.000 2.637 114 L HA 0.417 4.756 4.340 -0.001 0.000 0.241 114 L C -2.103 174.778 176.870 0.019 0.000 1.398 114 L CA -1.271 53.584 54.840 0.026 0.000 0.895 114 L CB 1.195 43.269 42.059 0.026 0.000 1.183 114 L HN 0.390 nan 8.230 nan 0.000 0.497 115 P HA 0.179 nan 4.420 nan 0.000 0.261 115 P C 1.241 178.528 177.300 -0.021 0.000 1.650 115 P CA 0.222 63.316 63.100 -0.011 0.000 0.846 115 P CB 0.291 31.965 31.700 -0.044 0.000 1.758 116 A N 0.666 123.495 122.820 0.015 0.000 2.009 116 A HA -0.272 4.047 4.320 -0.001 0.000 0.222 116 A C 1.771 179.388 177.584 0.054 0.000 1.175 116 A CA 1.861 53.917 52.037 0.033 0.000 0.651 116 A CB -1.215 17.812 19.000 0.045 0.000 0.815 116 A HN 0.310 nan 8.150 nan 0.000 0.459 117 I N -0.231 120.397 120.570 0.098 0.000 2.264 117 I HA -0.279 3.890 4.170 -0.001 0.000 0.248 117 I C 2.517 178.709 176.117 0.125 0.000 1.111 117 I CA 2.036 63.469 61.300 0.222 0.000 1.382 117 I CB -0.591 37.660 38.000 0.418 0.000 1.060 117 I HN 0.628 nan 8.210 nan 0.000 0.418 118 M N -0.762 118.724 119.600 -0.190 0.000 2.441 118 M HA 0.301 4.780 4.480 -0.001 0.000 0.244 118 M C 0.391 176.520 176.300 -0.287 0.000 1.122 118 M CA 0.507 55.459 55.300 -0.580 0.000 1.041 118 M CB 0.074 31.932 32.600 -1.237 0.000 1.438 118 M HN -0.043 nan 8.290 nan 0.000 0.484 119 L N 3.656 124.791 121.223 -0.147 0.000 2.417 119 L HA 0.387 4.727 4.340 -0.001 0.000 0.268 119 L C -2.042 174.823 176.870 -0.007 0.000 1.158 119 L CA -2.056 52.699 54.840 -0.142 0.000 0.819 119 L CB 0.140 42.121 42.059 -0.130 0.000 1.112 119 L HN 0.006 nan 8.230 nan 0.000 0.458 120 P HA 0.016 nan 4.420 nan 0.000 0.271 120 P C 0.853 178.021 177.300 -0.220 0.000 1.216 120 P CA -0.258 62.758 63.100 -0.141 0.000 0.776 120 P CB 1.222 32.664 31.700 -0.430 0.000 0.881 121 V N 3.385 123.294 119.914 -0.009 0.000 2.469 121 V HA -0.205 3.914 4.120 -0.001 0.000 0.251 121 V C 2.269 178.399 176.094 0.060 0.000 1.064 121 V CA 1.961 64.288 62.300 0.045 0.000 1.066 121 V CB -1.403 30.480 31.823 0.100 0.000 0.667 121 V HN 0.735 nan 8.190 nan 0.000 0.461 122 W N -0.832 120.555 121.300 0.146 0.000 2.402 122 W HA -0.192 4.467 4.660 -0.001 0.000 0.286 122 W C 2.264 178.805 176.519 0.036 0.000 1.221 122 W CA 0.884 58.289 57.345 0.100 0.000 1.257 122 W CB -1.167 28.406 29.460 0.187 0.000 1.120 122 W HN 0.328 nan 8.180 nan 0.000 0.551 123 F N 3.765 123.248 119.950 -0.778 0.000 2.039 123 F HA -0.209 4.317 4.527 -0.001 0.000 0.294 123 F C 2.999 178.622 175.800 -0.295 0.000 1.130 123 F CA 3.787 61.357 58.000 -0.717 0.000 1.189 123 F CB -0.781 37.615 39.000 -1.006 0.000 0.983 123 F HN -0.120 nan 8.300 nan 0.000 0.471 124 T N -2.259 112.249 114.554 -0.076 0.000 2.759 124 T HA -0.222 4.127 4.350 -0.001 0.000 0.269 124 T C 1.665 176.297 174.700 -0.114 0.000 1.042 124 T CA 1.618 63.664 62.100 -0.090 0.000 1.140 124 T CB -0.753 68.120 68.868 0.007 0.000 0.864 124 T HN 0.215 nan 8.240 nan 0.000 0.455 125 D N 1.918 122.279 120.400 -0.066 0.000 2.218 125 D HA -0.024 4.615 4.640 -0.001 0.000 0.204 125 D C 0.933 177.193 176.300 -0.066 0.000 0.976 125 D CA 0.821 54.800 54.000 -0.035 0.000 0.853 125 D CB -0.162 40.653 40.800 0.025 0.000 0.939 125 D HN 0.450 nan 8.370 nan 0.000 0.481 126 N N 0.090 118.716 118.700 -0.123 0.000 2.553 126 N HA 0.127 4.866 4.740 -0.001 0.000 0.298 126 N C 1.348 176.694 175.510 -0.274 0.000 1.596 126 N CA -0.074 52.890 53.050 -0.143 0.000 0.910 126 N CB 0.886 39.323 38.487 -0.084 0.000 1.336 126 N HN 0.126 nan 8.380 nan 0.000 0.497 127 L N 0.563 121.584 121.223 -0.337 0.000 2.034 127 L HA -0.265 4.074 4.340 -0.001 0.000 0.217 127 L C 2.208 178.919 176.870 -0.265 0.000 1.077 127 L CA 1.542 56.118 54.840 -0.439 0.000 0.769 127 L CB -0.033 41.828 42.059 -0.331 0.000 0.890 127 L HN 0.201 nan 8.230 nan 0.000 0.435 128 E N -0.128 119.997 120.200 -0.125 0.000 2.035 128 E HA -0.300 4.049 4.350 -0.001 0.000 0.204 128 E C 2.205 178.782 176.600 -0.038 0.000 1.025 128 E CA 1.788 58.166 56.400 -0.037 0.000 0.835 128 E CB -0.485 29.200 29.700 -0.024 0.000 0.764 128 E HN 0.569 nan 8.360 nan 0.000 0.457 129 A N 1.300 124.089 122.820 -0.050 0.000 1.930 129 A HA 0.012 4.331 4.320 -0.001 0.000 0.217 129 A C 2.403 180.029 177.584 0.069 0.000 1.175 129 A CA 1.939 53.979 52.037 0.005 0.000 0.627 129 A CB -0.506 18.491 19.000 -0.005 0.000 0.815 129 A HN 0.275 nan 8.150 nan 0.000 0.443 130 A N -0.065 122.705 122.820 -0.082 0.000 1.933 130 A HA 0.188 4.508 4.320 -0.001 0.000 0.218 130 A C 2.441 180.039 177.584 0.024 0.000 1.175 130 A CA 1.846 53.815 52.037 -0.113 0.000 0.628 130 A CB -0.873 17.810 19.000 -0.528 0.000 0.814 130 A HN 1.012 nan 8.150 nan 0.000 0.444 131 A N -1.457 121.338 122.820 -0.042 0.000 1.972 131 A HA -0.120 4.199 4.320 -0.001 0.000 0.219 131 A C 2.264 179.896 177.584 0.081 0.000 1.169 131 A CA 2.207 54.262 52.037 0.029 0.000 0.635 131 A CB -1.276 17.761 19.000 0.062 0.000 0.810 131 A HN 0.412 nan 8.150 nan 0.000 0.446 132 T N -1.868 112.729 114.554 0.073 0.000 2.946 132 T HA -0.150 4.199 4.350 -0.001 0.000 0.271 132 T C 1.327 175.968 174.700 -0.098 0.000 1.104 132 T CA 1.555 63.639 62.100 -0.028 0.000 1.114 132 T CB -0.439 68.369 68.868 -0.100 0.000 0.867 132 T HN 0.608 nan 8.240 nan 0.000 0.513 133 Y N 0.160 120.437 120.300 -0.039 0.000 2.517 133 Y HA 0.194 4.743 4.550 -0.001 0.000 0.281 133 Y C 1.803 177.696 175.900 -0.011 0.000 1.125 133 Y CA 0.047 58.125 58.100 -0.037 0.000 1.283 133 Y CB 0.514 38.940 38.460 -0.056 0.000 1.042 133 Y HN 0.178 nan 8.280 nan 0.000 0.547 134 V N -2.865 117.129 119.914 0.134 0.000 3.006 134 V HA 0.214 4.333 4.120 -0.001 0.000 0.357 134 V C 1.096 177.219 176.094 0.048 0.000 1.377 134 V CA -0.153 62.200 62.300 0.089 0.000 1.198 134 V CB 0.224 32.109 31.823 0.103 0.000 1.216 134 V HN 0.182 nan 8.190 nan 0.000 0.520 135 Q N 1.255 121.067 119.800 0.021 0.000 2.230 135 Q HA 0.070 4.409 4.340 -0.001 0.000 0.202 135 Q C 0.145 176.143 176.000 -0.004 0.000 0.963 135 Q CA 0.938 56.742 55.803 0.002 0.000 0.866 135 Q CB 0.294 29.015 28.738 -0.028 0.000 0.931 135 Q HN 0.711 nan 8.270 nan 0.000 0.452 136 N N 1.339 120.036 118.700 -0.005 0.000 2.564 136 N HA 0.182 4.921 4.740 -0.001 0.000 0.248 136 N C -1.340 174.171 175.510 0.001 0.000 0.986 136 N CA -0.017 53.029 53.050 -0.007 0.000 0.921 136 N CB 1.518 39.996 38.487 -0.016 0.000 1.136 136 N HN 0.176 nan 8.380 nan 0.000 0.509 137 Q N 0.314 120.113 119.800 -0.002 0.000 2.204 137 Q HA 0.686 5.026 4.340 -0.001 0.000 0.254 137 Q C -0.476 175.514 176.000 -0.017 0.000 0.981 137 Q CA -0.668 55.131 55.803 -0.007 0.000 0.897 137 Q CB 1.932 30.664 28.738 -0.010 0.000 1.273 137 Q HN 0.432 nan 8.270 nan 0.000 0.464 138 S N -0.763 114.919 115.700 -0.031 0.000 2.543 138 S HA 0.066 4.535 4.470 -0.001 0.000 0.274 138 S C -0.119 174.433 174.600 -0.080 0.000 1.149 138 S CA -0.589 57.585 58.200 -0.044 0.000 0.866 138 S CB 1.586 64.773 63.200 -0.022 0.000 1.111 138 S HN 0.802 nan 8.310 nan 0.000 0.457 139 E N 1.443 121.585 120.200 -0.095 0.000 2.153 139 E HA -0.133 4.216 4.350 -0.001 0.000 0.194 139 E C 0.016 176.520 176.600 -0.160 0.000 0.988 139 E CA 1.030 57.348 56.400 -0.136 0.000 0.811 139 E CB 0.074 29.689 29.700 -0.142 0.000 0.746 139 E HN 0.584 nan 8.360 nan 0.000 0.466 140 D N -0.569 119.754 120.400 -0.127 0.000 2.402 140 D HA -0.010 4.629 4.640 -0.001 0.000 0.235 140 D C -0.060 176.134 176.300 -0.175 0.000 1.226 140 D CA -0.188 53.727 54.000 -0.141 0.000 0.918 140 D CB 0.339 41.108 40.800 -0.051 0.000 1.043 140 D HN 0.212 nan 8.370 nan 0.000 0.506 141 c N 2.441 120.798 118.600 -0.406 0.000 4.095 141 c HA 0.297 4.866 4.570 -0.001 0.000 0.327 141 c C 0.838 174.388 174.090 -0.900 0.000 1.811 141 c CA -0.626 55.421 56.329 -0.470 0.000 1.785 141 c CB -1.186 41.199 42.510 -0.208 0.000 3.120 141 c HN 0.490 nan 8.230 nan 0.000 0.621 142 L N 2.733 123.306 121.223 -1.084 0.000 2.388 142 L HA 0.273 4.612 4.340 -0.001 0.000 0.252 142 L C -0.960 175.238 176.870 -1.121 0.000 1.357 142 L CA 0.779 55.038 54.840 -0.967 0.000 1.214 142 L CB -0.945 40.559 42.059 -0.924 0.000 1.392 142 L HN 0.477 nan 8.230 nan 0.000 0.432 143 Y N 0.892 121.213 120.300 0.034 0.000 2.477 143 Y HA 0.556 5.105 4.550 -0.001 0.000 0.347 143 Y C 0.020 176.087 175.900 0.279 0.000 0.981 143 Y CA -1.566 56.619 58.100 0.141 0.000 1.033 143 Y CB 1.511 39.965 38.460 -0.010 0.000 1.245 143 Y HN 0.118 nan 8.280 nan 0.000 0.455 144 L N 0.290 121.704 121.223 0.318 0.000 2.400 144 L HA 0.714 5.053 4.340 -0.001 0.000 0.264 144 L C -0.736 176.189 176.870 0.091 0.000 1.061 144 L CA -0.921 53.987 54.840 0.114 0.000 0.799 144 L CB 0.772 42.793 42.059 -0.064 0.000 1.240 144 L HN 0.484 nan 8.230 nan 0.000 0.461 145 N N 0.868 119.639 118.700 0.118 0.000 2.238 145 N HA 0.685 5.424 4.740 -0.001 0.000 0.302 145 N C -1.350 174.228 175.510 0.113 0.000 1.072 145 N CA -0.322 52.784 53.050 0.094 0.000 0.792 145 N CB 2.354 40.926 38.487 0.142 0.000 1.425 145 N HN 0.444 nan 8.380 nan 0.000 0.478 146 L N 1.443 122.676 121.223 0.017 0.000 2.334 146 L HA 0.471 4.810 4.340 -0.001 0.000 0.273 146 L C -0.947 175.848 176.870 -0.125 0.000 1.013 146 L CA -0.490 54.400 54.840 0.084 0.000 0.816 146 L CB 0.925 43.049 42.059 0.109 0.000 1.278 146 L HN 0.479 nan 8.230 nan 0.000 0.431 147 Y N 1.852 122.257 120.300 0.175 0.000 2.681 147 Y HA 0.443 4.993 4.550 -0.001 0.000 0.347 147 Y C -0.580 175.414 175.900 0.156 0.000 1.029 147 Y CA -0.754 57.432 58.100 0.144 0.000 1.279 147 Y CB 1.407 39.948 38.460 0.134 0.000 1.096 147 Y HN 0.141 nan 8.280 nan 0.000 0.580 148 V N 5.959 126.025 119.914 0.254 0.000 2.406 148 V HA 0.319 4.438 4.120 -0.001 0.000 0.272 148 V C -1.869 174.334 176.094 0.182 0.000 1.043 148 V CA -1.877 60.577 62.300 0.257 0.000 0.915 148 V CB 1.094 33.144 31.823 0.379 0.000 0.988 148 V HN 0.422 nan 8.190 nan 0.000 0.466 149 P HA 0.289 nan 4.420 nan 0.000 0.286 149 P C 0.126 177.478 177.300 0.088 0.000 1.293 149 P CA -0.068 63.095 63.100 0.105 0.000 0.770 149 P CB 1.013 32.762 31.700 0.081 0.000 1.206 150 T N -3.375 111.214 114.554 0.058 0.000 3.009 150 T HA 0.176 4.525 4.350 -0.001 0.000 0.267 150 T C 0.324 175.041 174.700 0.028 0.000 0.942 150 T CA 0.085 62.213 62.100 0.047 0.000 0.883 150 T CB 0.371 69.261 68.868 0.038 0.000 1.192 150 T HN 0.314 nan 8.240 nan 0.000 0.524 151 E N 1.304 121.513 120.200 0.016 0.000 2.493 151 E HA 0.389 4.738 4.350 -0.001 0.000 0.243 151 E C -0.389 176.201 176.600 -0.017 0.000 0.875 151 E CA -0.499 55.898 56.400 -0.004 0.000 0.872 151 E CB 0.673 30.363 29.700 -0.017 0.000 1.476 151 E HN -0.047 nan 8.360 nan 0.000 0.394 152 D N -0.840 119.538 120.400 -0.037 0.000 2.427 152 D HA 0.304 4.943 4.640 -0.001 0.000 0.224 152 D C 0.337 176.577 176.300 -0.101 0.000 1.157 152 D CA 0.704 54.671 54.000 -0.055 0.000 0.828 152 D CB 0.050 40.821 40.800 -0.049 0.000 0.974 152 D HN 0.615 nan 8.370 nan 0.000 0.498 153 G N -0.019 108.715 108.800 -0.111 0.000 2.378 153 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.198 153 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.198 153 G C -2.393 172.404 174.900 -0.171 0.000 1.223 153 G CA -0.851 44.134 45.100 -0.192 0.000 1.088 153 G HN 0.105 nan 8.290 nan 0.000 0.530 154 P HA 0.461 nan 4.420 nan 0.000 0.269 154 P C -0.015 177.202 177.300 -0.138 0.000 1.211 154 P CA 0.111 63.088 63.100 -0.205 0.000 0.781 154 P CB 0.304 31.811 31.700 -0.321 0.000 0.877 155 L N 0.160 121.321 121.223 -0.103 0.000 2.323 155 L HA 0.423 4.762 4.340 -0.001 0.000 0.265 155 L C 0.335 177.184 176.870 -0.035 0.000 1.012 155 L CA -0.784 54.021 54.840 -0.059 0.000 0.820 155 L CB 1.694 43.730 42.059 -0.039 0.000 1.334 155 L HN 0.208 nan 8.230 nan 0.000 0.427 156 T N 0.131 114.674 114.554 -0.018 0.000 2.901 156 T HA 0.073 4.423 4.350 -0.001 0.000 0.301 156 T C 1.081 175.782 174.700 0.001 0.000 1.012 156 T CA -0.407 61.693 62.100 0.000 0.000 1.135 156 T CB 0.953 69.822 68.868 0.002 0.000 0.936 156 T HN 0.503 nan 8.240 nan 0.000 0.539 157 K N 1.904 122.311 120.400 0.011 0.000 2.144 157 K HA -0.149 4.171 4.320 -0.001 0.000 0.209 157 K C 1.750 178.354 176.600 0.007 0.000 1.047 157 K CA 1.653 57.947 56.287 0.011 0.000 0.927 157 K CB -0.503 32.008 32.500 0.019 0.000 0.716 157 K HN 0.736 nan 8.250 nan 0.000 0.454 174 S N 1.257 116.967 115.700 0.016 0.000 2.506 174 S HA 0.432 4.901 4.470 -0.001 0.000 0.291 174 S C 0.785 175.398 174.600 0.022 0.000 1.230 174 S CA 0.254 58.467 58.200 0.022 0.000 1.107 174 S CB 0.115 63.333 63.200 0.030 0.000 0.942 174 S HN 0.228 nan 8.310 nan 0.000 0.502 175 G N 4.445 113.256 108.800 0.019 0.000 2.636 175 G HA2 0.284 4.243 3.960 -0.001 0.000 0.246 175 G HA3 0.284 4.243 3.960 -0.001 0.000 0.246 175 G C -0.605 174.311 174.900 0.027 0.000 1.216 175 G CA -0.601 44.510 45.100 0.017 0.000 0.854 175 G HN 0.734 nan 8.290 nan 0.000 0.572 176 K N 0.568 120.982 120.400 0.022 0.000 2.172 176 K HA 0.285 4.604 4.320 -0.001 0.000 0.276 176 K C 0.041 176.658 176.600 0.029 0.000 1.013 176 K CA -0.255 56.050 56.287 0.030 0.000 0.913 176 K CB 1.399 33.912 32.500 0.021 0.000 1.055 176 K HN 0.360 nan 8.250 nan 0.000 0.461 177 K N 3.433 123.860 120.400 0.045 0.000 2.138 177 K HA 0.325 4.644 4.320 -0.001 0.000 0.263 177 K C -2.522 174.101 176.600 0.038 0.000 0.965 177 K CA -2.200 54.112 56.287 0.042 0.000 0.868 177 K CB 1.161 33.700 32.500 0.065 0.000 1.083 177 K HN 0.269 nan 8.250 nan 0.000 0.443 178 P HA -0.068 nan 4.420 nan 0.000 0.266 178 P C -0.869 176.459 177.300 0.047 0.000 1.193 178 P CA -0.095 63.015 63.100 0.017 0.000 0.770 178 P CB 0.460 32.156 31.700 -0.007 0.000 0.836 179 V N 4.063 124.011 119.914 0.058 0.000 2.459 179 V HA 0.409 4.528 4.120 -0.001 0.000 0.295 179 V C 0.238 176.396 176.094 0.107 0.000 1.029 179 V CA -0.333 62.022 62.300 0.092 0.000 0.874 179 V CB 1.331 33.212 31.823 0.097 0.000 0.985 179 V HN 0.466 nan 8.190 nan 0.000 0.438 180 M N 5.646 125.335 119.600 0.148 0.000 2.036 180 M HA 0.403 4.883 4.480 -0.001 0.000 0.337 180 M C -0.951 175.590 176.300 0.400 0.000 1.012 180 M CA -0.486 54.949 55.300 0.225 0.000 0.962 180 M CB 1.393 34.038 32.600 0.076 0.000 1.423 180 M HN 0.421 nan 8.290 nan 0.000 0.405 181 L N 4.285 125.702 121.223 0.324 0.000 2.319 181 L HA 0.395 4.734 4.340 -0.001 0.000 0.280 181 L C -1.425 175.571 176.870 0.209 0.000 1.099 181 L CA 0.203 55.185 54.840 0.237 0.000 0.828 181 L CB 0.589 42.695 42.059 0.077 0.000 1.150 181 L HN 0.618 nan 8.230 nan 0.000 0.442 182 F N 6.072 125.974 119.950 -0.080 0.000 2.361 182 F HA 0.324 4.850 4.527 -0.001 0.000 0.364 182 F C -0.502 175.168 175.800 -0.218 0.000 1.117 182 F CA -0.850 56.853 58.000 -0.494 0.000 1.071 182 F CB 0.929 39.645 39.000 -0.474 0.000 1.188 182 F HN 0.308 nan 8.300 nan 0.000 0.464 183 L N 7.372 128.102 121.223 -0.822 0.000 2.363 183 L HA 0.189 4.528 4.340 -0.001 0.000 0.286 183 L C 0.104 176.457 176.870 -0.862 0.000 1.106 183 L CA -0.064 54.419 54.840 -0.593 0.000 0.859 183 L CB -0.487 41.292 42.059 -0.467 0.000 1.223 183 L HN 0.665 nan 8.230 nan 0.000 0.446 184 H N 1.264 120.031 119.070 -0.505 0.000 2.509 184 H HA 0.864 5.419 4.556 -0.001 0.000 0.359 184 H C 0.236 175.585 175.328 0.035 0.000 1.253 184 H CA -0.627 55.295 56.048 -0.211 0.000 1.373 184 H CB 1.219 31.195 29.762 0.357 0.000 1.555 184 H HN 0.649 nan 8.280 nan 0.000 0.586 185 G N -0.940 107.805 108.800 -0.093 0.000 2.760 185 G HA2 0.231 4.190 3.960 -0.001 0.000 0.540 185 G HA3 0.231 4.190 3.960 -0.001 0.000 0.540 185 G C 0.282 175.038 174.900 -0.240 0.000 1.476 185 G CA -0.259 44.716 45.100 -0.208 0.000 0.949 185 G HN 1.032 nan 8.290 nan 0.000 0.633 186 G N 0.067 108.673 108.800 -0.323 0.000 2.559 186 G HA2 0.398 4.357 3.960 -0.001 0.000 0.209 186 G HA3 0.398 4.357 3.960 -0.001 0.000 0.209 186 G C 1.431 176.081 174.900 -0.416 0.000 1.151 186 G CA 1.548 46.430 45.100 -0.364 0.000 0.824 186 G HN 1.983 nan 8.290 nan 0.000 0.543 187 S N -2.211 113.254 115.700 -0.393 0.000 2.847 187 S HA 0.258 4.727 4.470 -0.001 0.000 0.254 187 S C 0.581 175.089 174.600 -0.153 0.000 1.039 187 S CA 0.022 58.020 58.200 -0.335 0.000 1.113 187 S CB 0.163 63.251 63.200 -0.187 0.000 1.092 187 S HN 0.479 nan 8.310 nan 0.000 0.620 188 Y N 0.496 120.799 120.300 0.004 0.000 4.879 188 Y HA -0.219 4.330 4.550 -0.001 0.000 0.247 188 Y C 1.193 177.205 175.900 0.186 0.000 0.985 188 Y CA 0.897 59.117 58.100 0.200 0.000 2.000 188 Y CB -2.428 36.158 38.460 0.210 0.000 1.519 188 Y HN 0.382 nan 8.280 nan 0.000 0.613 189 M N -0.969 118.714 119.600 0.138 0.000 2.329 189 M HA 0.230 4.709 4.480 -0.001 0.000 0.281 189 M C 0.396 176.698 176.300 0.002 0.000 1.088 189 M CA 0.738 56.092 55.300 0.090 0.000 1.108 189 M CB 0.582 33.232 32.600 0.084 0.000 1.657 189 M HN 0.204 nan 8.290 nan 0.000 0.579 190 E N 0.211 120.376 120.200 -0.059 0.000 2.431 190 E HA 0.803 5.152 4.350 -0.001 0.000 0.268 190 E C 0.226 176.792 176.600 -0.057 0.000 0.953 190 E CA -0.703 55.662 56.400 -0.059 0.000 0.810 190 E CB 0.097 29.726 29.700 -0.118 0.000 1.369 190 E HN 0.171 nan 8.360 nan 0.000 0.440 191 G N -1.049 107.785 108.800 0.057 0.000 2.712 191 G HA2 0.311 4.271 3.960 -0.001 0.000 0.683 191 G HA3 0.311 4.271 3.960 -0.001 0.000 0.683 191 G C -0.599 174.479 174.900 0.296 0.000 1.320 191 G CA -0.308 44.916 45.100 0.205 0.000 0.847 191 G HN 1.190 nan 8.290 nan 0.000 0.553 192 T N -1.235 113.481 114.554 0.270 0.000 3.291 192 T HA 0.626 4.975 4.350 -0.001 0.000 0.344 192 T C 1.459 175.963 174.700 -0.326 0.000 1.293 192 T CA 0.836 62.897 62.100 -0.065 0.000 1.108 192 T CB 0.790 69.678 68.868 0.035 0.000 1.231 192 T HN 2.214 nan 8.240 nan 0.000 0.474 193 G N 3.194 111.547 108.800 -0.746 0.000 2.532 193 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.222 193 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.222 193 G C 1.198 176.134 174.900 0.059 0.000 1.102 193 G CA 0.863 45.861 45.100 -0.170 0.000 0.742 193 G HN 0.747 nan 8.290 nan 0.000 0.577 194 N N 0.050 118.754 118.700 0.007 0.000 2.443 194 N HA -0.018 4.721 4.740 -0.001 0.000 0.184 194 N C 1.983 177.498 175.510 0.007 0.000 1.037 194 N CA 0.571 53.665 53.050 0.073 0.000 0.896 194 N CB -0.246 38.307 38.487 0.110 0.000 0.959 194 N HN 0.361 nan 8.380 nan 0.000 0.442 195 M N -0.734 118.700 119.600 -0.278 0.000 2.476 195 M HA 0.023 4.502 4.480 -0.001 0.000 0.262 195 M C -0.537 175.113 176.300 -1.083 0.000 1.079 195 M CA 0.849 55.622 55.300 -0.878 0.000 1.104 195 M CB 0.115 31.997 32.600 -1.198 0.000 1.409 195 M HN -0.092 nan 8.290 nan 0.000 0.467 196 F N -0.074 119.646 119.950 -0.383 0.000 2.347 196 F HA 0.223 4.749 4.527 -0.001 0.000 0.366 196 F C 0.023 175.484 175.800 -0.564 0.000 1.107 196 F CA -1.659 55.902 58.000 -0.731 0.000 1.058 196 F CB 0.301 38.481 39.000 -1.366 0.000 1.236 196 F HN -0.210 nan 8.300 nan 0.000 0.456 197 D N 3.037 123.244 120.400 -0.323 0.000 2.470 197 D HA 0.126 4.765 4.640 -0.001 0.000 0.226 197 D C 1.220 177.269 176.300 -0.419 0.000 1.196 197 D CA -0.030 53.823 54.000 -0.245 0.000 0.979 197 D CB 0.784 41.554 40.800 -0.051 0.000 1.059 197 D HN 0.740 nan 8.370 nan 0.000 0.515 198 G N 2.033 110.292 108.800 -0.902 0.000 3.262 198 G HA2 -0.094 3.865 3.960 -0.001 0.000 0.222 198 G HA3 -0.094 3.865 3.960 -0.001 0.000 0.222 198 G C 1.350 176.041 174.900 -0.348 0.000 1.269 198 G CA 0.420 45.237 45.100 -0.472 0.000 1.032 198 G HN 0.439 nan 8.290 nan 0.000 0.502 199 S N -0.072 115.521 115.700 -0.179 0.000 2.335 199 S HA -0.136 4.333 4.470 -0.001 0.000 0.217 199 S C 2.254 176.898 174.600 0.074 0.000 1.032 199 S CA 0.974 59.258 58.200 0.141 0.000 0.985 199 S CB -0.559 62.775 63.200 0.223 0.000 0.896 199 S HN 0.092 nan 8.310 nan 0.000 0.445 200 V N 2.955 122.885 119.914 0.026 0.000 2.222 200 V HA -0.274 3.846 4.120 -0.001 0.000 0.252 200 V C 2.479 178.587 176.094 0.024 0.000 1.060 200 V CA 2.352 64.654 62.300 0.004 0.000 1.027 200 V CB -1.042 30.747 31.823 -0.056 0.000 0.644 200 V HN 0.483 nan 8.190 nan 0.000 0.448 201 L N -0.354 120.866 121.223 -0.005 0.000 1.991 201 L HA -0.315 4.024 4.340 -0.001 0.000 0.221 201 L C 2.604 179.498 176.870 0.039 0.000 1.079 201 L CA 2.306 57.133 54.840 -0.023 0.000 0.778 201 L CB -0.670 41.308 42.059 -0.134 0.000 0.893 201 L HN 0.422 nan 8.230 nan 0.000 0.437 202 A N -0.577 122.278 122.820 0.058 0.000 1.892 202 A HA -0.276 4.043 4.320 -0.001 0.000 0.218 202 A C 2.339 179.967 177.584 0.074 0.000 1.188 202 A CA 2.260 54.351 52.037 0.090 0.000 0.631 202 A CB -0.986 18.111 19.000 0.162 0.000 0.822 202 A HN 0.626 nan 8.150 nan 0.000 0.447 203 A N -2.414 120.453 122.820 0.079 0.000 1.970 203 A HA 0.070 4.389 4.320 -0.001 0.000 0.216 203 A C 2.100 179.710 177.584 0.043 0.000 1.170 203 A CA 1.483 53.554 52.037 0.057 0.000 0.645 203 A CB -0.565 18.468 19.000 0.056 0.000 0.816 203 A HN 0.732 nan 8.150 nan 0.000 0.447 204 Y N 0.182 120.438 120.300 -0.072 0.000 2.231 204 Y HA 0.172 4.722 4.550 -0.001 0.000 0.294 204 Y C 2.267 178.112 175.900 -0.092 0.000 1.120 204 Y CA 1.406 59.440 58.100 -0.111 0.000 1.141 204 Y CB -0.465 37.914 38.460 -0.135 0.000 1.022 204 Y HN 0.200 nan 8.280 nan 0.000 0.523 205 G N -0.572 108.204 108.800 -0.039 0.000 2.777 205 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.211 205 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.211 205 G C 0.215 175.058 174.900 -0.096 0.000 1.149 205 G CA 0.484 45.518 45.100 -0.110 0.000 0.785 205 G HN 0.450 nan 8.290 nan 0.000 0.536 206 N N -0.979 117.684 118.700 -0.060 0.000 2.738 206 N HA -0.178 4.561 4.740 -0.001 0.000 0.249 206 N C -0.215 175.296 175.510 0.002 0.000 1.047 206 N CA 0.917 53.950 53.050 -0.027 0.000 0.707 206 N CB -1.467 36.989 38.487 -0.051 0.000 0.937 206 N HN 0.758 nan 8.380 nan 0.000 0.545 207 V N -1.906 118.023 119.914 0.024 0.000 2.962 207 V HA 0.692 4.811 4.120 -0.001 0.000 0.313 207 V C 0.660 176.806 176.094 0.088 0.000 1.099 207 V CA -1.169 61.157 62.300 0.043 0.000 0.971 207 V CB 2.050 33.885 31.823 0.020 0.000 1.028 207 V HN 0.104 nan 8.190 nan 0.000 0.430 208 I N 3.206 123.842 120.570 0.111 0.000 2.363 208 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 208 I C -0.103 176.122 176.117 0.181 0.000 1.075 208 I CA -0.303 61.093 61.300 0.160 0.000 1.333 208 I CB 1.250 39.345 38.000 0.158 0.000 1.415 208 I HN 0.440 nan 8.210 nan 0.000 0.502 209 V N 7.722 127.774 119.914 0.229 0.000 2.461 209 V HA 0.483 4.602 4.120 -0.001 0.000 0.275 209 V C 0.478 176.789 176.094 0.361 0.000 1.047 209 V CA -0.431 62.024 62.300 0.259 0.000 0.955 209 V CB 1.317 33.253 31.823 0.189 0.000 0.988 209 V HN 0.515 nan 8.190 nan 0.000 0.471 210 V N 4.048 124.166 119.914 0.341 0.000 2.588 210 V HA 0.887 5.006 4.120 -0.001 0.000 0.304 210 V C 0.074 176.364 176.094 0.326 0.000 1.042 210 V CA -0.439 62.060 62.300 0.332 0.000 0.877 210 V CB 2.280 34.227 31.823 0.206 0.000 0.996 210 V HN 0.841 nan 8.190 nan 0.000 0.425 211 T N 2.767 117.528 114.554 0.344 0.000 2.912 211 T HA 0.897 5.246 4.350 -0.001 0.000 0.288 211 T C -0.390 174.441 174.700 0.218 0.000 1.030 211 T CA -0.146 62.141 62.100 0.310 0.000 1.020 211 T CB 1.665 70.730 68.868 0.328 0.000 1.056 211 T HN 1.942 nan 8.240 nan 0.000 0.480 212 L N 0.023 121.360 121.223 0.191 0.000 2.322 212 L HA 0.773 5.113 4.340 -0.001 0.000 0.252 212 L C -1.467 175.523 176.870 0.199 0.000 1.055 212 L CA -1.356 53.585 54.840 0.168 0.000 0.849 212 L CB 2.126 44.221 42.059 0.061 0.000 1.446 212 L HN 0.746 nan 8.230 nan 0.000 0.416 213 N N 0.103 118.959 118.700 0.260 0.000 2.314 213 N HA 0.617 5.356 4.740 -0.001 0.000 0.294 213 N C -1.930 173.770 175.510 0.318 0.000 1.029 213 N CA -0.552 52.639 53.050 0.235 0.000 0.845 213 N CB 1.896 40.429 38.487 0.077 0.000 1.321 213 N HN 0.631 nan 8.380 nan 0.000 0.481 214 Y N -1.149 119.290 120.300 0.231 0.000 2.545 214 Y HA 0.518 5.067 4.550 -0.001 0.000 0.348 214 Y C -0.239 175.666 175.900 0.008 0.000 1.002 214 Y CA -1.452 56.729 58.100 0.135 0.000 1.039 214 Y CB 0.785 39.321 38.460 0.125 0.000 1.271 214 Y HN 0.215 nan 8.280 nan 0.000 0.467 215 R N 2.514 122.987 120.500 -0.044 0.000 2.502 215 R HA 0.142 4.481 4.340 -0.001 0.000 0.292 215 R C -0.711 175.389 176.300 -0.334 0.000 0.998 215 R CA -0.087 55.890 56.100 -0.205 0.000 1.056 215 R CB 0.139 30.331 30.300 -0.181 0.000 0.939 215 R HN 0.479 nan 8.270 nan 0.000 0.411 216 L N 2.002 123.039 121.223 -0.310 0.000 2.400 216 L HA 0.416 4.756 4.340 -0.001 0.000 0.264 216 L C 1.683 178.473 176.870 -0.133 0.000 1.061 216 L CA 0.608 55.327 54.840 -0.202 0.000 0.799 216 L CB 0.321 42.299 42.059 -0.135 0.000 1.240 216 L HN 0.919 nan 8.230 nan 0.000 0.461 217 G N 0.571 109.426 108.800 0.092 0.000 2.614 217 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.303 217 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.303 217 G C 1.129 175.985 174.900 -0.074 0.000 1.270 217 G CA 0.409 45.563 45.100 0.090 0.000 0.988 217 G HN 0.431 nan 8.290 nan 0.000 0.551 218 V N 0.921 120.575 119.914 -0.432 0.000 2.252 218 V HA -0.218 3.901 4.120 -0.001 0.000 0.249 218 V C 2.983 179.048 176.094 -0.049 0.000 1.056 218 V CA 2.792 64.718 62.300 -0.622 0.000 1.022 218 V CB -0.810 30.672 31.823 -0.567 0.000 0.641 218 V HN 0.502 nan 8.190 nan 0.000 0.445 219 L N 0.113 121.275 121.223 -0.102 0.000 2.201 219 L HA -0.043 4.296 4.340 -0.001 0.000 0.212 219 L C 2.394 179.193 176.870 -0.119 0.000 1.105 219 L CA 1.486 56.225 54.840 -0.169 0.000 0.775 219 L CB -0.843 41.064 42.059 -0.254 0.000 0.913 219 L HN 0.503 nan 8.230 nan 0.000 0.440 220 G N -1.648 107.054 108.800 -0.163 0.000 2.662 220 G HA2 -0.048 3.911 3.960 -0.001 0.000 0.212 220 G HA3 -0.048 3.911 3.960 -0.001 0.000 0.212 220 G C 0.909 175.584 174.900 -0.374 0.000 1.141 220 G CA 0.088 44.949 45.100 -0.399 0.000 0.797 220 G HN 0.262 nan 8.290 nan 0.000 0.531 221 F N -0.806 119.319 119.950 0.291 0.000 2.925 221 F HA 0.400 4.926 4.527 -0.001 0.000 0.355 221 F C 0.530 176.505 175.800 0.292 0.000 1.073 221 F CA -1.580 56.541 58.000 0.202 0.000 1.127 221 F CB -0.074 38.993 39.000 0.112 0.000 1.123 221 F HN -0.072 nan 8.300 nan 0.000 0.551 222 L N 1.614 123.189 121.223 0.587 0.000 2.628 222 L HA 0.221 4.561 4.340 -0.001 0.000 0.274 222 L C 0.303 177.335 176.870 0.271 0.000 1.209 222 L CA 0.641 55.785 54.840 0.508 0.000 0.930 222 L CB 0.319 42.563 42.059 0.308 0.000 1.183 222 L HN 0.139 nan 8.230 nan 0.000 0.492 223 S N 2.178 117.976 115.700 0.164 0.000 2.548 223 S HA 0.544 5.013 4.470 -0.001 0.000 0.286 223 S C 0.512 175.117 174.600 0.009 0.000 1.098 223 S CA -0.265 57.964 58.200 0.049 0.000 0.930 223 S CB 1.954 65.151 63.200 -0.005 0.000 1.070 223 S HN 0.742 nan 8.310 nan 0.000 0.480 224 T N 1.660 116.208 114.554 -0.011 0.000 3.040 224 T HA 0.311 4.660 4.350 -0.001 0.000 0.250 224 T C 1.445 176.132 174.700 -0.022 0.000 1.058 224 T CA 0.316 62.403 62.100 -0.021 0.000 0.988 224 T CB -0.016 68.837 68.868 -0.025 0.000 0.993 224 T HN 1.412 nan 8.240 nan 0.000 0.519 225 G N 1.986 110.773 108.800 -0.022 0.000 2.196 225 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.268 225 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.268 225 G C -0.154 174.741 174.900 -0.009 0.000 0.975 225 G CA 0.476 45.563 45.100 -0.021 0.000 0.648 225 G HN 0.508 nan 8.290 nan 0.000 0.538 226 D N -1.273 119.126 120.400 -0.002 0.000 2.549 226 D HA 0.422 5.061 4.640 -0.001 0.000 0.270 226 D C 1.266 177.580 176.300 0.023 0.000 1.181 226 D CA -0.602 53.403 54.000 0.008 0.000 1.070 226 D CB 0.737 41.541 40.800 0.006 0.000 1.154 226 D HN 0.010 nan 8.370 nan 0.000 0.602 227 Q N 0.342 120.160 119.800 0.030 0.000 2.369 227 Q HA -0.003 4.336 4.340 -0.001 0.000 0.206 227 Q C 1.612 177.647 176.000 0.060 0.000 0.963 227 Q CA 1.006 56.838 55.803 0.047 0.000 0.894 227 Q CB -0.317 28.447 28.738 0.044 0.000 0.965 227 Q HN 0.526 nan 8.270 nan 0.000 0.475 228 A N -0.219 122.627 122.820 0.043 0.000 1.940 228 A HA 0.174 4.494 4.320 -0.001 0.000 0.219 228 A C 0.916 178.538 177.584 0.063 0.000 1.176 228 A CA 1.425 53.485 52.037 0.040 0.000 0.631 228 A CB -0.244 18.762 19.000 0.010 0.000 0.814 228 A HN 0.397 nan 8.150 nan 0.000 0.446 229 A N -1.511 121.353 122.820 0.073 0.000 2.480 229 A HA 0.484 4.803 4.320 -0.001 0.000 0.302 229 A C 0.458 178.097 177.584 0.092 0.000 1.151 229 A CA -0.430 51.694 52.037 0.144 0.000 0.907 229 A CB 0.438 19.457 19.000 0.032 0.000 1.487 229 A HN 0.075 nan 8.150 nan 0.000 0.396 230 K N 1.040 121.491 120.400 0.086 0.000 2.211 230 K HA 0.167 4.486 4.320 -0.001 0.000 0.203 230 K C 1.385 177.896 176.600 -0.149 0.000 1.050 230 K CA 1.359 57.635 56.287 -0.020 0.000 0.945 230 K CB -0.159 32.338 32.500 -0.005 0.000 0.732 230 K HN 1.816 nan 8.250 nan 0.000 0.451 231 G N 1.468 110.056 108.800 -0.354 0.000 2.527 231 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.227 231 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.227 231 G C -0.118 174.263 174.900 -0.865 0.000 1.291 231 G CA -0.073 44.625 45.100 -0.670 0.000 0.904 231 G HN 0.196 nan 8.290 nan 0.000 0.577 232 N N -1.572 116.934 118.700 -0.323 0.000 2.741 232 N HA -0.217 4.522 4.740 -0.001 0.000 0.251 232 N C 1.059 176.543 175.510 -0.044 0.000 1.112 232 N CA 1.825 54.827 53.050 -0.080 0.000 0.750 232 N CB -1.229 37.151 38.487 -0.179 0.000 1.119 232 N HN 0.626 nan 8.380 nan 0.000 0.561 233 Y N 0.270 120.678 120.300 0.179 0.000 2.089 233 Y HA -0.103 4.447 4.550 -0.001 0.000 0.282 233 Y C 2.711 178.625 175.900 0.023 0.000 1.139 233 Y CA 1.662 59.795 58.100 0.055 0.000 1.123 233 Y CB -1.009 37.454 38.460 0.005 0.000 0.980 233 Y HN 0.194 nan 8.280 nan 0.000 0.493 234 G N 0.706 109.492 108.800 -0.023 0.000 2.679 234 G HA2 -0.328 3.631 3.960 -0.001 0.000 0.222 234 G HA3 -0.328 3.631 3.960 -0.001 0.000 0.222 234 G C 1.747 176.738 174.900 0.152 0.000 1.164 234 G CA 1.794 46.939 45.100 0.074 0.000 0.769 234 G HN 0.392 nan 8.290 nan 0.000 0.610 235 L N -0.281 121.080 121.223 0.230 0.000 2.046 235 L HA -0.032 4.307 4.340 -0.001 0.000 0.208 235 L C 2.994 179.906 176.870 0.070 0.000 1.077 235 L CA 0.669 55.557 54.840 0.079 0.000 0.747 235 L CB -0.407 41.683 42.059 0.052 0.000 0.896 235 L HN 0.229 nan 8.230 nan 0.000 0.432 236 L N -0.634 120.654 121.223 0.108 0.000 2.083 236 L HA -0.223 4.116 4.340 -0.001 0.000 0.209 236 L C 2.241 179.228 176.870 0.195 0.000 1.083 236 L CA 0.971 55.895 54.840 0.141 0.000 0.752 236 L CB -0.624 41.536 42.059 0.169 0.000 0.899 236 L HN 0.265 nan 8.230 nan 0.000 0.433 237 D N 0.078 120.608 120.400 0.217 0.000 2.103 237 D HA -0.235 4.404 4.640 -0.001 0.000 0.190 237 D C 2.241 178.680 176.300 0.232 0.000 0.997 237 D CA 1.321 55.513 54.000 0.319 0.000 0.833 237 D CB -0.370 40.646 40.800 0.360 0.000 0.961 237 D HN 0.341 nan 8.370 nan 0.000 0.447 238 Q N -0.092 119.752 119.800 0.073 0.000 2.173 238 Q HA -0.163 4.176 4.340 -0.001 0.000 0.208 238 Q C 2.419 178.425 176.000 0.011 0.000 0.989 238 Q CA 1.041 56.809 55.803 -0.058 0.000 0.872 238 Q CB -0.203 28.428 28.738 -0.177 0.000 0.909 238 Q HN 0.391 nan 8.270 nan 0.000 0.420 239 I N -0.041 120.589 120.570 0.101 0.000 2.439 239 I HA -0.241 3.928 4.170 -0.001 0.000 0.251 239 I C 2.461 178.700 176.117 0.203 0.000 1.139 239 I CA 0.802 62.206 61.300 0.173 0.000 1.438 239 I CB -0.083 38.047 38.000 0.217 0.000 1.085 239 I HN 0.185 nan 8.210 nan 0.000 0.427 240 Q N 1.415 121.356 119.800 0.235 0.000 2.119 240 Q HA -0.104 4.235 4.340 -0.001 0.000 0.201 240 Q C 2.141 178.335 176.000 0.323 0.000 0.972 240 Q CA 2.034 58.028 55.803 0.318 0.000 0.847 240 Q CB -0.269 28.708 28.738 0.398 0.000 0.903 240 Q HN 0.471 nan 8.270 nan 0.000 0.433 241 A N 0.198 123.038 122.820 0.033 0.000 1.858 241 A HA -0.133 4.186 4.320 -0.001 0.000 0.216 241 A C 1.892 179.536 177.584 0.099 0.000 1.190 241 A CA 1.417 53.316 52.037 -0.231 0.000 0.617 241 A CB -0.828 17.742 19.000 -0.717 0.000 0.827 241 A HN 0.416 nan 8.150 nan 0.000 0.443 242 L N -0.172 121.108 121.223 0.095 0.000 1.997 242 L HA -0.196 4.143 4.340 -0.001 0.000 0.216 242 L C 2.561 179.560 176.870 0.214 0.000 1.074 242 L CA 2.043 56.984 54.840 0.168 0.000 0.763 242 L CB -1.228 40.958 42.059 0.212 0.000 0.890 242 L HN 0.406 nan 8.230 nan 0.000 0.434 243 R N -2.219 118.420 120.500 0.232 0.000 2.103 243 R HA -0.266 4.073 4.340 -0.001 0.000 0.242 243 R C 2.245 178.701 176.300 0.260 0.000 1.142 243 R CA 2.062 58.298 56.100 0.226 0.000 0.960 243 R CB -0.515 29.924 30.300 0.231 0.000 0.858 243 R HN 0.469 nan 8.270 nan 0.000 0.439 244 W N 0.710 122.114 121.300 0.173 0.000 2.378 244 W HA -0.185 4.474 4.660 -0.001 0.000 0.313 244 W C 1.677 178.293 176.519 0.162 0.000 1.197 244 W CA 1.022 58.498 57.345 0.219 0.000 1.304 244 W CB -0.349 29.265 29.460 0.257 0.000 1.148 244 W HN -0.021 nan 8.180 nan 0.000 0.494 245 L N 0.141 121.674 121.223 0.517 0.000 1.990 245 L HA -0.291 4.048 4.340 -0.001 0.000 0.213 245 L C 2.743 179.668 176.870 0.091 0.000 1.072 245 L CA 2.391 57.420 54.840 0.315 0.000 0.755 245 L CB -1.692 40.517 42.059 0.249 0.000 0.889 245 L HN -0.063 nan 8.230 nan 0.000 0.432 246 S N -1.286 114.471 115.700 0.095 0.000 2.420 246 S HA -0.219 4.250 4.470 -0.001 0.000 0.237 246 S C 1.866 176.439 174.600 -0.045 0.000 1.023 246 S CA 1.623 59.845 58.200 0.036 0.000 0.991 246 S CB -0.136 63.103 63.200 0.065 0.000 0.792 246 S HN 0.516 nan 8.310 nan 0.000 0.488 247 E N -0.404 119.739 120.200 -0.095 0.000 2.216 247 E HA 0.101 4.450 4.350 -0.001 0.000 0.192 247 E C 1.222 177.625 176.600 -0.328 0.000 0.973 247 E CA 0.597 56.890 56.400 -0.177 0.000 0.851 247 E CB 0.115 29.727 29.700 -0.147 0.000 0.804 247 E HN 0.436 nan 8.360 nan 0.000 0.477 248 N N -0.186 118.253 118.700 -0.436 0.000 2.257 248 N HA 0.070 4.809 4.740 -0.001 0.000 0.200 248 N C 1.239 176.617 175.510 -0.219 0.000 1.163 248 N CA -0.018 52.737 53.050 -0.492 0.000 0.891 248 N CB 0.440 38.379 38.487 -0.912 0.000 1.067 248 N HN -0.021 nan 8.380 nan 0.000 0.497 249 I N 1.250 121.756 120.570 -0.107 0.000 2.454 249 I HA -0.101 4.068 4.170 -0.001 0.000 0.254 249 I C 1.881 178.090 176.117 0.152 0.000 1.156 249 I CA 0.642 62.001 61.300 0.099 0.000 1.433 249 I CB -0.136 37.898 38.000 0.056 0.000 1.082 249 I HN 0.149 nan 8.210 nan 0.000 0.432 250 A N -0.429 122.350 122.820 -0.068 0.000 2.019 250 A HA -0.244 4.075 4.320 -0.001 0.000 0.219 250 A C 2.062 179.635 177.584 -0.017 0.000 1.164 250 A CA 1.681 53.675 52.037 -0.072 0.000 0.644 250 A CB -0.993 17.910 19.000 -0.162 0.000 0.805 250 A HN 0.580 nan 8.150 nan 0.000 0.449 251 H N -1.289 117.818 119.070 0.062 0.000 2.456 251 H HA -0.099 4.456 4.556 -0.001 0.000 0.296 251 H C 1.029 176.273 175.328 -0.141 0.000 1.079 251 H CA 1.226 57.222 56.048 -0.086 0.000 1.322 251 H CB -0.413 29.214 29.762 -0.225 0.000 1.388 251 H HN 0.628 nan 8.280 nan 0.000 0.538 252 F N -0.299 119.697 119.950 0.077 0.000 2.732 252 F HA 0.297 4.823 4.527 -0.001 0.000 0.303 252 F C 1.675 177.529 175.800 0.089 0.000 1.110 252 F CA 0.488 58.533 58.000 0.076 0.000 1.355 252 F CB 0.122 39.173 39.000 0.086 0.000 1.081 252 F HN 0.202 nan 8.300 nan 0.000 0.565 253 G N 0.517 109.446 108.800 0.214 0.000 2.149 253 G HA2 -0.153 3.806 3.960 -0.001 0.000 0.235 253 G HA3 -0.153 3.806 3.960 -0.001 0.000 0.235 253 G C 0.557 175.537 174.900 0.133 0.000 1.018 253 G CA -0.204 44.981 45.100 0.141 0.000 0.728 253 G HN 0.756 nan 8.290 nan 0.000 0.508 254 G N -0.678 108.208 108.800 0.143 0.000 2.448 254 G HA2 0.493 4.452 3.960 -0.001 0.000 0.285 254 G HA3 0.493 4.452 3.960 -0.001 0.000 0.285 254 G C -0.576 174.355 174.900 0.051 0.000 1.176 254 G CA 0.109 45.268 45.100 0.099 0.000 0.852 254 G HN 0.259 nan 8.290 nan 0.000 0.530 255 D N 1.469 121.892 120.400 0.038 0.000 2.396 255 D HA 0.334 4.974 4.640 -0.001 0.000 0.225 255 D C -1.497 174.813 176.300 0.016 0.000 1.121 255 D CA -2.326 51.685 54.000 0.017 0.000 0.853 255 D CB 1.881 42.688 40.800 0.011 0.000 1.043 255 D HN -0.017 nan 8.370 nan 0.000 0.500 256 P HA -0.035 nan 4.420 nan 0.000 0.226 256 P C 0.614 177.922 177.300 0.013 0.000 1.153 256 P CA 0.557 63.662 63.100 0.009 0.000 0.777 256 P CB 0.412 32.102 31.700 -0.016 0.000 0.794 257 E N -0.575 119.627 120.200 0.003 0.000 2.502 257 E HA 0.025 4.374 4.350 -0.001 0.000 0.194 257 E C 0.841 177.440 176.600 -0.002 0.000 1.062 257 E CA 0.430 56.830 56.400 0.001 0.000 0.867 257 E CB -0.018 29.679 29.700 -0.005 0.000 0.888 257 E HN 0.352 nan 8.360 nan 0.000 0.510 258 R N 0.483 120.984 120.500 0.001 0.000 2.734 258 R HA 0.339 4.678 4.340 -0.001 0.000 0.395 258 R C -0.201 176.104 176.300 0.009 0.000 1.096 258 R CA -0.214 55.878 56.100 -0.014 0.000 1.071 258 R CB 0.447 30.727 30.300 -0.034 0.000 1.348 258 R HN -0.005 nan 8.270 nan 0.000 0.600 259 I N 1.158 121.754 120.570 0.044 0.000 2.533 259 I HA 0.058 4.227 4.170 -0.001 0.000 0.284 259 I C 0.258 176.426 176.117 0.085 0.000 1.109 259 I CA 0.776 62.124 61.300 0.080 0.000 1.412 259 I CB 1.287 39.359 38.000 0.120 0.000 1.396 259 I HN -0.023 nan 8.210 nan 0.000 0.543 260 T N 7.312 121.910 114.554 0.074 0.000 2.841 260 T HA 0.542 4.891 4.350 -0.001 0.000 0.285 260 T C -0.197 174.552 174.700 0.081 0.000 0.991 260 T CA -0.478 61.665 62.100 0.071 0.000 0.966 260 T CB 1.014 69.925 68.868 0.071 0.000 0.962 260 T HN 0.409 nan 8.240 nan 0.000 0.438 261 I N 1.394 121.923 120.570 -0.069 0.000 2.385 261 I HA 0.867 5.036 4.170 -0.001 0.000 0.294 261 I C -0.833 175.350 176.117 0.110 0.000 0.988 261 I CA -1.001 60.246 61.300 -0.088 0.000 1.265 261 I CB 0.833 38.551 38.000 -0.471 0.000 1.388 261 I HN 0.541 nan 8.210 nan 0.000 0.480 262 F N 3.318 123.219 119.950 -0.081 0.000 2.573 262 F HA 0.949 5.475 4.527 -0.001 0.000 0.316 262 F C -0.319 175.417 175.800 -0.108 0.000 1.148 262 F CA -0.827 57.158 58.000 -0.025 0.000 0.940 262 F CB 1.095 40.160 39.000 0.108 0.000 1.214 262 F HN 0.729 nan 8.300 nan 0.000 0.448 263 G N 1.053 109.750 108.800 -0.173 0.000 3.042 263 G HA2 0.761 4.720 3.960 -0.001 0.000 0.278 263 G HA3 0.761 4.720 3.960 -0.001 0.000 0.278 263 G C -1.671 173.170 174.900 -0.098 0.000 1.371 263 G CA -0.895 43.974 45.100 -0.385 0.000 1.009 263 G HN 1.251 nan 8.290 nan 0.000 0.523 264 S N -1.691 113.942 115.700 -0.112 0.000 2.533 264 S HA 0.727 5.196 4.470 -0.001 0.000 0.271 264 S C 0.569 175.179 174.600 0.017 0.000 1.143 264 S CA 0.340 58.564 58.200 0.041 0.000 0.891 264 S CB 1.259 64.539 63.200 0.133 0.000 1.105 264 S HN 2.549 nan 8.310 nan 0.000 0.468 265 G N 2.464 111.338 108.800 0.122 0.000 2.652 265 G HA2 -0.092 3.868 3.960 -0.001 0.000 0.318 265 G HA3 -0.092 3.868 3.960 -0.001 0.000 0.318 265 G C 1.238 176.143 174.900 0.009 0.000 1.295 265 G CA 1.211 46.462 45.100 0.251 0.000 0.999 265 G HN 2.025 nan 8.290 nan 0.000 0.548 266 A N -0.605 122.112 122.820 -0.171 0.000 1.884 266 A HA 0.028 4.348 4.320 -0.001 0.000 0.219 266 A C 3.171 180.586 177.584 -0.282 0.000 1.197 266 A CA 3.676 55.463 52.037 -0.418 0.000 0.637 266 A CB -1.468 17.070 19.000 -0.770 0.000 0.827 266 A HN 2.345 nan 8.150 nan 0.000 0.450 267 G N -0.781 107.873 108.800 -0.243 0.000 2.469 267 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.220 267 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.220 267 G C 1.683 176.455 174.900 -0.213 0.000 1.136 267 G CA 1.623 46.568 45.100 -0.259 0.000 0.759 267 G HN 1.022 nan 8.290 nan 0.000 0.562 268 A N 0.370 123.107 122.820 -0.139 0.000 2.067 268 A HA 0.120 4.439 4.320 -0.001 0.000 0.219 268 A C 2.659 180.217 177.584 -0.044 0.000 1.158 268 A CA 2.014 54.009 52.037 -0.071 0.000 0.661 268 A CB -0.325 18.679 19.000 0.008 0.000 0.801 268 A HN 0.320 nan 8.150 nan 0.000 0.452 269 S N -0.531 115.148 115.700 -0.034 0.000 2.345 269 S HA -0.189 4.281 4.470 -0.001 0.000 0.220 269 S C 1.986 176.583 174.600 -0.006 0.000 1.031 269 S CA 1.406 59.612 58.200 0.009 0.000 0.996 269 S CB -0.742 62.502 63.200 0.074 0.000 0.882 269 S HN 0.765 nan 8.310 nan 0.000 0.445 270 C N 1.523 120.810 119.300 -0.022 0.000 2.385 270 C HA -0.079 4.380 4.460 -0.001 0.000 0.275 270 C C 2.623 177.559 174.990 -0.090 0.000 1.207 270 C CA 0.453 59.433 59.018 -0.063 0.000 1.760 270 C CB -1.595 26.065 27.740 -0.134 0.000 2.051 270 C HN 0.397 nan 8.230 nan 0.000 0.467 271 V N 2.013 121.851 119.914 -0.126 0.000 2.250 271 V HA -0.308 3.811 4.120 -0.001 0.000 0.250 271 V C 2.336 178.405 176.094 -0.041 0.000 1.060 271 V CA 2.427 64.648 62.300 -0.132 0.000 1.030 271 V CB -0.667 31.084 31.823 -0.120 0.000 0.643 271 V HN 0.577 nan 8.190 nan 0.000 0.445 272 N N -0.329 118.359 118.700 -0.020 0.000 2.188 272 N HA -0.044 4.695 4.740 -0.001 0.000 0.184 272 N C 1.821 177.363 175.510 0.052 0.000 1.018 272 N CA 1.229 54.289 53.050 0.016 0.000 0.858 272 N CB -0.229 38.260 38.487 0.002 0.000 0.989 272 N HN 0.411 nan 8.380 nan 0.000 0.426 273 L N 0.349 121.587 121.223 0.024 0.000 2.056 273 L HA -0.140 4.199 4.340 -0.001 0.000 0.207 273 L C 2.020 178.941 176.870 0.084 0.000 1.078 273 L CA 0.654 55.507 54.840 0.021 0.000 0.749 273 L CB -0.330 41.710 42.059 -0.031 0.000 0.901 273 L HN 0.084 nan 8.230 nan 0.000 0.433 274 L N -0.224 121.065 121.223 0.111 0.000 2.046 274 L HA -0.201 4.138 4.340 -0.001 0.000 0.208 274 L C 2.357 179.522 176.870 0.493 0.000 1.077 274 L CA 1.690 56.680 54.840 0.251 0.000 0.747 274 L CB -0.601 41.550 42.059 0.153 0.000 0.896 274 L HN 0.135 nan 8.230 nan 0.000 0.432 275 I N -0.999 119.873 120.570 0.504 0.000 2.248 275 I HA -0.341 3.828 4.170 -0.001 0.000 0.248 275 I C 1.983 178.326 176.117 0.376 0.000 1.107 275 I CA 1.383 63.062 61.300 0.633 0.000 1.373 275 I CB -0.265 37.998 38.000 0.439 0.000 1.055 275 I HN 0.227 nan 8.210 nan 0.000 0.418 276 L N -0.721 120.644 121.223 0.236 0.000 2.529 276 L HA 0.076 4.415 4.340 -0.001 0.000 0.223 276 L C 1.248 178.188 176.870 0.116 0.000 1.113 276 L CA -0.100 54.830 54.840 0.151 0.000 0.861 276 L CB -0.129 41.965 42.059 0.059 0.000 1.012 276 L HN 0.064 nan 8.230 nan 0.000 0.461 277 S N -1.070 114.722 115.700 0.153 0.000 2.513 277 S HA 0.111 4.580 4.470 -0.001 0.000 0.276 277 S C 1.247 175.992 174.600 0.242 0.000 1.254 277 S CA -0.573 57.699 58.200 0.120 0.000 1.053 277 S CB 0.502 63.775 63.200 0.121 0.000 0.958 277 S HN 0.230 nan 8.310 nan 0.000 0.491 278 H N 4.066 123.246 119.070 0.184 0.000 2.492 278 H HA -0.071 4.484 4.556 -0.002 0.000 0.296 278 H C 1.687 177.145 175.328 0.217 0.000 1.095 278 H CA 2.018 58.177 56.048 0.185 0.000 1.281 278 H CB -0.190 29.684 29.762 0.188 0.000 1.374 278 H HN 0.753 nan 8.280 nan 0.000 0.545 279 H N 0.065 119.258 119.070 0.206 0.000 2.343 279 H HA 0.059 4.615 4.556 -0.001 0.000 0.303 279 H C 0.604 176.021 175.328 0.149 0.000 1.068 279 H CA 0.631 56.775 56.048 0.159 0.000 1.359 279 H CB 0.328 30.179 29.762 0.149 0.000 1.402 279 H HN 0.150 nan 8.280 nan 0.000 0.515 280 S N 1.961 117.849 115.700 0.312 0.000 2.509 280 S HA 0.006 4.476 4.470 -0.001 0.000 0.287 280 S C 0.595 175.261 174.600 0.111 0.000 1.248 280 S CA 0.009 58.344 58.200 0.226 0.000 1.089 280 S CB 1.398 64.804 63.200 0.343 0.000 0.900 280 S HN 0.405 nan 8.310 nan 0.000 0.496 281 E N 2.910 123.134 120.200 0.040 0.000 3.762 281 E HA 0.162 4.512 4.350 -0.001 0.000 0.198 281 E C 1.737 178.322 176.600 -0.024 0.000 1.298 281 E CA 0.300 56.710 56.400 0.017 0.000 1.439 281 E CB -0.631 29.083 29.700 0.022 0.000 2.030 281 E HN 0.622 nan 8.360 nan 0.000 0.547 282 G N 1.537 110.332 108.800 -0.009 0.000 3.042 282 G HA2 0.066 4.025 3.960 -0.001 0.000 0.212 282 G HA3 0.066 4.025 3.960 -0.001 0.000 0.212 282 G C 1.243 176.136 174.900 -0.013 0.000 1.166 282 G CA 0.075 45.168 45.100 -0.011 0.000 0.767 282 G HN -0.031 nan 8.290 nan 0.000 0.546 283 L N 0.231 121.445 121.223 -0.014 0.000 1.982 283 L HA 0.264 4.603 4.340 -0.001 0.000 0.206 283 L C 1.326 178.242 176.870 0.076 0.000 1.078 283 L CA 1.037 55.914 54.840 0.063 0.000 0.749 283 L CB -1.743 40.417 42.059 0.168 0.000 0.894 283 L HN 0.392 nan 8.230 nan 0.000 0.436 284 F N -0.623 119.306 119.950 -0.036 0.000 2.613 284 F HA 0.574 5.100 4.527 -0.001 0.000 0.342 284 F C 0.534 176.178 175.800 -0.260 0.000 1.066 284 F CA -0.801 57.124 58.000 -0.125 0.000 1.002 284 F CB 1.079 39.990 39.000 -0.149 0.000 1.319 284 F HN 0.122 nan 8.300 nan 0.000 0.495 285 Q N 0.145 119.921 119.800 -0.040 0.000 1.932 285 Q HA 0.363 4.703 4.340 -0.001 0.000 0.191 285 Q C -1.270 174.722 176.000 -0.013 0.000 0.777 285 Q CA -0.277 55.425 55.803 -0.168 0.000 0.953 285 Q CB 0.632 29.367 28.738 -0.006 0.000 1.231 285 Q HN 0.885 nan 8.270 nan 0.000 0.418 286 K N 0.586 121.031 120.400 0.075 0.000 2.523 286 K HA 0.829 5.148 4.320 -0.001 0.000 0.257 286 K C -1.695 175.010 176.600 0.175 0.000 0.932 286 K CA -0.267 56.093 56.287 0.122 0.000 0.812 286 K CB 2.486 34.946 32.500 -0.066 0.000 1.326 286 K HN 0.191 nan 8.250 nan 0.000 0.433 287 A N 3.026 125.998 122.820 0.253 0.000 2.374 287 A HA 0.719 5.038 4.320 -0.001 0.000 0.305 287 A C -1.103 176.518 177.584 0.063 0.000 1.053 287 A CA -0.673 51.428 52.037 0.107 0.000 0.726 287 A CB 0.610 19.662 19.000 0.087 0.000 1.229 287 A HN 0.665 nan 8.150 nan 0.000 0.431 288 I N 2.148 122.722 120.570 0.006 0.000 2.382 288 I HA 0.509 4.678 4.170 -0.001 0.000 0.286 288 I C 0.408 176.516 176.117 -0.015 0.000 1.002 288 I CA -0.358 60.869 61.300 -0.122 0.000 1.135 288 I CB 1.952 39.841 38.000 -0.184 0.000 1.288 288 I HN 0.712 nan 8.210 nan 0.000 0.448 289 A N 6.710 129.490 122.820 -0.066 0.000 2.322 289 A HA 0.560 4.879 4.320 -0.001 0.000 0.327 289 A C -0.446 177.148 177.584 0.016 0.000 1.394 289 A CA -0.496 51.523 52.037 -0.030 0.000 0.921 289 A CB 0.223 19.177 19.000 -0.078 0.000 1.153 289 A HN 0.726 nan 8.150 nan 0.000 0.523 290 Q N 1.716 121.598 119.800 0.136 0.000 2.368 290 Q HA 0.487 4.827 4.340 -0.001 0.000 0.256 290 Q C 0.057 176.155 176.000 0.163 0.000 0.980 290 Q CA -0.512 55.432 55.803 0.235 0.000 0.887 290 Q CB 1.171 30.143 28.738 0.390 0.000 1.221 290 Q HN 0.767 nan 8.270 nan 0.000 0.458 291 S N 0.825 116.608 115.700 0.139 0.000 3.641 291 S HA -0.166 4.303 4.470 -0.001 0.000 0.346 291 S C 0.072 174.928 174.600 0.427 0.000 1.074 291 S CA 0.571 58.943 58.200 0.288 0.000 1.026 291 S CB -1.179 62.156 63.200 0.226 0.000 0.908 291 S HN 0.953 nan 8.310 nan 0.000 0.479 292 G N -1.023 107.921 108.800 0.239 0.000 2.698 292 G HA2 0.726 4.685 3.960 -0.001 0.000 0.293 292 G HA3 0.726 4.685 3.960 -0.001 0.000 0.293 292 G C -1.037 173.910 174.900 0.078 0.000 1.437 292 G CA 0.229 45.431 45.100 0.170 0.000 0.852 292 G HN 0.611 nan 8.290 nan 0.000 0.499 293 T N -1.620 112.965 114.554 0.052 0.000 3.003 293 T HA 0.519 4.868 4.350 -0.001 0.000 0.354 293 T C 0.185 174.894 174.700 0.015 0.000 1.651 293 T CA 0.664 62.774 62.100 0.017 0.000 1.103 293 T CB 1.185 70.052 68.868 -0.003 0.000 1.450 293 T HN 1.625 nan 8.240 nan 0.000 0.484 294 A N 2.957 125.779 122.820 0.004 0.000 2.337 294 A HA 0.427 4.746 4.320 -0.001 0.000 0.227 294 A C 1.423 179.001 177.584 -0.011 0.000 1.259 294 A CA 0.357 52.394 52.037 0.001 0.000 0.870 294 A CB -0.810 18.188 19.000 -0.002 0.000 0.927 294 A HN 0.918 nan 8.150 nan 0.000 0.497 295 I N -3.922 116.626 120.570 -0.036 0.000 4.541 295 I HA 0.206 4.375 4.170 -0.001 0.000 0.337 295 I C 0.330 176.351 176.117 -0.160 0.000 1.338 295 I CA -0.093 61.167 61.300 -0.066 0.000 1.244 295 I CB -0.100 37.863 38.000 -0.062 0.000 1.417 295 I HN 0.103 nan 8.210 nan 0.000 0.501 296 S N 1.631 117.213 115.700 -0.197 0.000 2.589 296 S HA 0.077 4.546 4.470 -0.001 0.000 0.265 296 S C 1.467 175.801 174.600 -0.445 0.000 1.342 296 S CA 0.144 58.090 58.200 -0.423 0.000 1.005 296 S CB 1.315 64.268 63.200 -0.411 0.000 0.909 296 S HN 0.488 nan 8.310 nan 0.000 0.555 297 S N -0.065 115.166 115.700 -0.781 0.000 2.528 297 S HA -0.110 4.359 4.470 -0.001 0.000 0.244 297 S C 0.667 175.051 174.600 -0.360 0.000 0.982 297 S CA 0.856 58.676 58.200 -0.633 0.000 0.953 297 S CB -0.811 61.852 63.200 -0.896 0.000 0.754 297 S HN 1.030 nan 8.310 nan 0.000 0.529 298 W N 0.548 121.733 121.300 -0.193 0.000 2.036 298 W HA 0.541 5.200 4.660 -0.001 0.000 0.298 298 W C 1.250 177.765 176.519 -0.008 0.000 0.885 298 W CA -0.590 56.702 57.345 -0.088 0.000 1.488 298 W CB -1.007 28.383 29.460 -0.116 0.000 1.079 298 W HN 0.218 nan 8.180 nan 0.000 0.506 299 S N 0.275 116.142 115.700 0.279 0.000 2.395 299 S HA 0.136 4.605 4.470 -0.001 0.000 0.225 299 S C 0.650 175.286 174.600 0.060 0.000 1.027 299 S CA 1.004 59.333 58.200 0.215 0.000 0.965 299 S CB -0.209 63.058 63.200 0.112 0.000 0.812 299 S HN 0.229 nan 8.310 nan 0.000 0.482 300 V N 1.987 121.874 119.914 -0.046 0.000 2.789 300 V HA 0.510 4.629 4.120 -0.001 0.000 0.311 300 V C -1.500 174.412 176.094 -0.304 0.000 1.073 300 V CA -1.206 60.922 62.300 -0.288 0.000 0.921 300 V CB 1.942 33.504 31.823 -0.436 0.000 1.009 300 V HN 0.526 nan 8.190 nan 0.000 0.426 301 N N 4.649 123.119 118.700 -0.383 0.000 2.437 301 N HA 0.303 5.043 4.740 -0.001 0.000 0.259 301 N C -0.928 174.387 175.510 -0.324 0.000 0.983 301 N CA -0.337 52.577 53.050 -0.227 0.000 0.937 301 N CB 1.064 39.465 38.487 -0.144 0.000 1.122 301 N HN 0.791 nan 8.380 nan 0.000 0.499 302 Y N 1.498 121.769 120.300 -0.048 0.000 2.532 302 Y HA 0.239 4.788 4.550 -0.001 0.000 0.283 302 Y C 0.336 176.186 175.900 -0.084 0.000 1.181 302 Y CA -0.220 57.837 58.100 -0.071 0.000 1.256 302 Y CB 0.576 38.990 38.460 -0.076 0.000 1.112 302 Y HN 0.446 nan 8.280 nan 0.000 0.521 303 Q N -0.192 119.621 119.800 0.022 0.000 2.805 303 Q HA 0.241 4.580 4.340 -0.001 0.000 0.360 303 Q C -2.279 173.668 176.000 -0.088 0.000 0.832 303 Q CA -1.482 54.279 55.803 -0.070 0.000 1.020 303 Q CB 1.155 29.801 28.738 -0.153 0.000 1.444 303 Q HN 0.276 nan 8.270 nan 0.000 0.391 304 P HA -0.109 nan 4.420 nan 0.000 0.213 304 P C 1.539 178.791 177.300 -0.079 0.000 1.170 304 P CA 0.422 63.488 63.100 -0.057 0.000 0.889 304 P CB 0.367 32.036 31.700 -0.052 0.000 0.782 305 L N 0.216 121.390 121.223 -0.081 0.000 2.043 305 L HA -0.222 4.118 4.340 -0.001 0.000 0.212 305 L C 2.432 179.228 176.870 -0.124 0.000 1.075 305 L CA 2.047 56.840 54.840 -0.078 0.000 0.752 305 L CB -0.800 41.218 42.059 -0.069 0.000 0.891 305 L HN -0.185 nan 8.230 nan 0.000 0.432 306 K N -0.971 119.297 120.400 -0.221 0.000 2.059 306 K HA -0.270 4.050 4.320 -0.001 0.000 0.212 306 K C 2.022 178.398 176.600 -0.372 0.000 1.050 306 K CA 2.539 58.613 56.287 -0.356 0.000 0.927 306 K CB -0.447 31.709 32.500 -0.573 0.000 0.714 306 K HN 0.527 nan 8.250 nan 0.000 0.447 307 Y N -0.153 120.042 120.300 -0.175 0.000 2.448 307 Y HA -0.037 4.512 4.550 -0.001 0.000 0.289 307 Y C 2.542 178.340 175.900 -0.170 0.000 1.114 307 Y CA 0.795 58.742 58.100 -0.256 0.000 1.235 307 Y CB 0.062 38.200 38.460 -0.535 0.000 1.045 307 Y HN 0.074 nan 8.280 nan 0.000 0.554 308 T N 0.030 114.597 114.554 0.020 0.000 2.746 308 T HA -0.140 4.210 4.350 -0.001 0.000 0.267 308 T C 1.949 176.709 174.700 0.101 0.000 1.039 308 T CA 1.126 63.308 62.100 0.137 0.000 1.142 308 T CB -0.120 68.795 68.868 0.078 0.000 0.866 308 T HN 0.264 nan 8.240 nan 0.000 0.444 309 R N 0.212 120.731 120.500 0.031 0.000 2.075 309 R HA 0.034 4.373 4.340 -0.001 0.000 0.232 309 R C 2.252 178.580 176.300 0.046 0.000 1.126 309 R CA 0.911 57.023 56.100 0.020 0.000 0.963 309 R CB -0.548 29.740 30.300 -0.020 0.000 0.858 309 R HN 0.284 nan 8.270 nan 0.000 0.435 310 L N 0.834 122.093 121.223 0.060 0.000 2.093 310 L HA -0.125 4.214 4.340 -0.001 0.000 0.208 310 L C 2.278 179.227 176.870 0.133 0.000 1.085 310 L CA 1.219 56.113 54.840 0.089 0.000 0.755 310 L CB -0.642 41.483 42.059 0.111 0.000 0.904 310 L HN 0.191 nan 8.230 nan 0.000 0.435 311 L N -0.643 120.697 121.223 0.196 0.000 2.005 311 L HA -0.145 4.195 4.340 -0.001 0.000 0.207 311 L C 2.494 179.448 176.870 0.140 0.000 1.072 311 L CA 1.993 56.968 54.840 0.226 0.000 0.744 311 L CB -0.847 41.457 42.059 0.408 0.000 0.895 311 L HN 0.293 nan 8.230 nan 0.000 0.433 312 A N 0.174 123.064 122.820 0.116 0.000 1.908 312 A HA -0.215 4.105 4.320 -0.001 0.000 0.218 312 A C 2.487 180.107 177.584 0.059 0.000 1.181 312 A CA 2.054 54.135 52.037 0.073 0.000 0.627 312 A CB -0.946 18.083 19.000 0.048 0.000 0.818 312 A HN 0.604 nan 8.150 nan 0.000 0.445 313 A N -0.419 122.435 122.820 0.057 0.000 1.948 313 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 313 A C 2.125 179.738 177.584 0.050 0.000 1.177 313 A CA 1.977 54.042 52.037 0.046 0.000 0.636 313 A CB -0.420 18.606 19.000 0.043 0.000 0.815 313 A HN 0.554 nan 8.150 nan 0.000 0.449 314 K N -0.610 119.828 120.400 0.064 0.000 2.167 314 K HA -0.014 4.305 4.320 -0.001 0.000 0.203 314 K C 1.547 178.177 176.600 0.051 0.000 1.052 314 K CA 1.432 57.755 56.287 0.060 0.000 0.956 314 K CB -0.090 32.455 32.500 0.075 0.000 0.735 314 K HN 0.562 nan 8.250 nan 0.000 0.451 315 V N -2.843 117.103 119.914 0.053 0.000 3.542 315 V HA 0.351 4.471 4.120 -0.001 0.000 0.296 315 V C 0.726 176.842 176.094 0.037 0.000 1.364 315 V CA 0.271 62.598 62.300 0.044 0.000 1.118 315 V CB -0.234 31.617 31.823 0.047 0.000 0.972 315 V HN 0.343 nan 8.190 nan 0.000 0.430 316 G N -0.482 108.340 108.800 0.036 0.000 2.225 316 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.264 316 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.264 316 G C 0.286 175.203 174.900 0.029 0.000 1.060 316 G CA 0.237 45.354 45.100 0.029 0.000 0.833 316 G HN 0.640 nan 8.290 nan 0.000 0.498 317 c N -0.439 118.181 118.600 0.033 0.000 3.336 317 c HA 0.300 4.869 4.570 -0.001 0.000 0.291 317 c C 0.948 175.052 174.090 0.024 0.000 1.363 317 c CA -0.322 56.025 56.329 0.030 0.000 1.737 317 c CB -0.284 42.249 42.510 0.038 0.000 2.274 317 c HN 0.656 nan 8.230 nan 0.000 0.663 318 D N 2.217 122.632 120.400 0.024 0.000 2.348 318 D HA 0.116 4.755 4.640 -0.001 0.000 0.259 318 D C 0.527 176.834 176.300 0.012 0.000 1.296 318 D CA 0.639 54.650 54.000 0.018 0.000 0.931 318 D CB 0.421 41.233 40.800 0.020 0.000 1.067 318 D HN 0.253 nan 8.370 nan 0.000 0.503 319 R N 2.626 123.131 120.500 0.008 0.000 2.700 319 R HA 0.260 4.599 4.340 -0.001 0.000 0.253 319 R C 1.085 177.386 176.300 0.001 0.000 1.091 319 R CA -0.587 55.517 56.100 0.005 0.000 1.104 319 R CB 0.366 30.670 30.300 0.006 0.000 1.202 319 R HN 0.477 nan 8.270 nan 0.000 0.532 320 E N 0.477 120.677 120.200 0.001 0.000 2.051 320 E HA -0.110 4.239 4.350 -0.001 0.000 0.189 320 E C -0.100 176.498 176.600 -0.003 0.000 0.979 320 E CA 0.509 56.908 56.400 -0.002 0.000 0.803 320 E CB 0.119 29.818 29.700 -0.002 0.000 0.761 320 E HN 0.415 nan 8.360 nan 0.000 0.451 321 D N 0.072 120.472 120.400 -0.000 0.000 2.425 321 D HA -0.051 4.588 4.640 -0.001 0.000 0.247 321 D C 0.740 177.040 176.300 -0.001 0.000 1.147 321 D CA 0.387 54.387 54.000 0.001 0.000 0.879 321 D CB 1.432 42.234 40.800 0.004 0.000 1.179 321 D HN 0.164 nan 8.370 nan 0.000 0.456 322 S N 2.059 117.757 115.700 -0.003 0.000 2.446 322 S HA -0.102 4.367 4.470 -0.001 0.000 0.225 322 S C 1.824 176.419 174.600 -0.007 0.000 1.016 322 S CA 0.571 58.766 58.200 -0.008 0.000 0.943 322 S CB -0.046 63.148 63.200 -0.010 0.000 0.786 322 S HN 0.518 nan 8.310 nan 0.000 0.508 323 T N 2.272 116.828 114.554 0.003 0.000 2.737 323 T HA -0.030 4.319 4.350 -0.001 0.000 0.265 323 T C 1.715 176.421 174.700 0.010 0.000 1.038 323 T CA 1.533 63.639 62.100 0.010 0.000 1.144 323 T CB -0.374 68.504 68.868 0.017 0.000 0.866 323 T HN 0.582 nan 8.240 nan 0.000 0.434 324 E N 0.386 120.591 120.200 0.009 0.000 2.160 324 E HA -0.135 4.214 4.350 -0.001 0.000 0.195 324 E C 2.243 178.849 176.600 0.010 0.000 0.991 324 E CA 0.983 57.390 56.400 0.011 0.000 0.810 324 E CB -0.115 29.591 29.700 0.010 0.000 0.742 324 E HN 0.479 nan 8.360 nan 0.000 0.466 325 A N -0.038 122.783 122.820 0.002 0.000 1.897 325 A HA -0.083 4.236 4.320 -0.001 0.000 0.215 325 A C 2.332 179.909 177.584 -0.011 0.000 1.181 325 A CA 0.981 53.017 52.037 -0.002 0.000 0.620 325 A CB -0.366 18.629 19.000 -0.008 0.000 0.821 325 A HN 0.174 nan 8.150 nan 0.000 0.443 326 V N 0.155 120.050 119.914 -0.032 0.000 2.270 326 V HA -0.192 3.927 4.120 -0.001 0.000 0.245 326 V C 2.548 178.659 176.094 0.028 0.000 1.043 326 V CA 2.234 64.494 62.300 -0.066 0.000 1.014 326 V CB -0.716 31.040 31.823 -0.112 0.000 0.645 326 V HN 0.663 nan 8.190 nan 0.000 0.447 327 E N -0.360 119.864 120.200 0.040 0.000 2.333 327 E HA -0.243 4.106 4.350 -0.001 0.000 0.200 327 E C 2.036 178.669 176.600 0.055 0.000 1.010 327 E CA 1.569 58.003 56.400 0.057 0.000 0.841 327 E CB -0.807 28.918 29.700 0.041 0.000 0.757 327 E HN 0.648 nan 8.360 nan 0.000 0.508 328 c N -0.769 117.858 118.600 0.045 0.000 2.518 328 c HA 0.048 4.617 4.570 -0.001 0.000 0.279 328 c C 2.470 176.600 174.090 0.065 0.000 1.279 328 c CA 0.527 56.882 56.329 0.044 0.000 1.703 328 c CB -1.190 41.339 42.510 0.032 0.000 2.072 328 c HN 0.536 nan 8.230 nan 0.000 0.487 329 L N 1.313 122.589 121.223 0.087 0.000 2.187 329 L HA -0.129 4.210 4.340 -0.001 0.000 0.213 329 L C 2.858 179.837 176.870 0.181 0.000 1.100 329 L CA 1.250 56.174 54.840 0.141 0.000 0.765 329 L CB -0.649 41.511 42.059 0.169 0.000 0.904 329 L HN 0.364 nan 8.230 nan 0.000 0.437 330 R N 0.150 120.758 120.500 0.180 0.000 2.127 330 R HA -0.178 4.161 4.340 -0.001 0.000 0.238 330 R C 2.103 178.428 176.300 0.041 0.000 1.134 330 R CA 1.086 57.249 56.100 0.105 0.000 0.975 330 R CB -0.671 29.680 30.300 0.085 0.000 0.865 330 R HN 0.334 nan 8.270 nan 0.000 0.447 331 R N 0.965 121.492 120.500 0.045 0.000 2.323 331 R HA 0.014 4.354 4.340 -0.001 0.000 0.198 331 R C -0.146 176.165 176.300 0.018 0.000 0.988 331 R CA 0.507 56.622 56.100 0.024 0.000 1.041 331 R CB 0.282 30.597 30.300 0.025 0.000 0.926 331 R HN -0.110 nan 8.270 nan 0.000 0.476 332 K N 0.545 120.960 120.400 0.025 0.000 2.123 332 K HA 0.160 4.479 4.320 -0.001 0.000 0.259 332 K C -0.258 176.339 176.600 -0.005 0.000 0.960 332 K CA -0.380 55.917 56.287 0.017 0.000 0.872 332 K CB 1.820 34.340 32.500 0.034 0.000 1.079 332 K HN 0.077 nan 8.250 nan 0.000 0.440 333 S N -0.028 115.665 115.700 -0.012 0.000 2.572 333 S HA -0.031 4.439 4.470 -0.001 0.000 0.279 333 S C 1.380 175.957 174.600 -0.038 0.000 1.341 333 S CA 0.077 58.261 58.200 -0.027 0.000 1.043 333 S CB 0.743 63.930 63.200 -0.022 0.000 0.887 333 S HN 0.597 nan 8.310 nan 0.000 0.516 334 S N 2.064 117.728 115.700 -0.060 0.000 2.419 334 S HA -0.226 4.243 4.470 -0.001 0.000 0.235 334 S C 1.773 176.340 174.600 -0.055 0.000 1.019 334 S CA 1.035 59.188 58.200 -0.077 0.000 0.982 334 S CB -0.514 62.629 63.200 -0.096 0.000 0.789 334 S HN 0.782 nan 8.310 nan 0.000 0.490 335 R N 1.657 122.134 120.500 -0.038 0.000 2.062 335 R HA 0.078 4.417 4.340 -0.001 0.000 0.229 335 R C 2.380 178.671 176.300 -0.015 0.000 1.128 335 R CA 1.791 57.876 56.100 -0.025 0.000 0.960 335 R CB -0.666 29.623 30.300 -0.018 0.000 0.855 335 R HN 0.706 nan 8.270 nan 0.000 0.432 336 E N -0.577 119.618 120.200 -0.009 0.000 2.265 336 E HA -0.175 4.174 4.350 -0.001 0.000 0.196 336 E C 1.374 177.976 176.600 0.004 0.000 0.996 336 E CA 0.875 57.276 56.400 0.002 0.000 0.832 336 E CB 0.037 29.741 29.700 0.006 0.000 0.756 336 E HN 0.232 nan 8.360 nan 0.000 0.491 337 L N -0.190 121.029 121.223 -0.008 0.000 2.307 337 L HA -0.039 4.300 4.340 -0.001 0.000 0.211 337 L C 2.206 179.050 176.870 -0.043 0.000 1.099 337 L CA 0.798 55.633 54.840 -0.009 0.000 0.816 337 L CB 0.435 42.492 42.059 -0.003 0.000 0.952 337 L HN 0.247 nan 8.230 nan 0.000 0.455 338 V N -3.361 116.524 119.914 -0.048 0.000 2.672 338 V HA 0.083 4.202 4.120 -0.001 0.000 0.242 338 V C 0.572 176.651 176.094 -0.025 0.000 1.059 338 V CA 0.608 62.869 62.300 -0.065 0.000 1.081 338 V CB -0.769 31.013 31.823 -0.069 0.000 0.752 338 V HN 0.479 nan 8.190 nan 0.000 0.472 339 D N 0.690 121.088 120.400 -0.003 0.000 2.801 339 D HA 0.213 4.852 4.640 -0.001 0.000 0.232 339 D C 0.921 177.239 176.300 0.029 0.000 1.128 339 D CA 0.052 54.063 54.000 0.019 0.000 1.003 339 D CB 0.938 41.752 40.800 0.023 0.000 1.110 339 D HN 0.504 nan 8.370 nan 0.000 0.477 340 Q N 0.692 120.514 119.800 0.037 0.000 2.245 340 Q HA 0.072 4.411 4.340 -0.001 0.000 0.236 340 Q C -0.707 175.337 176.000 0.073 0.000 0.842 340 Q CA -0.018 55.817 55.803 0.053 0.000 0.945 340 Q CB 0.256 29.028 28.738 0.058 0.000 1.122 340 Q HN 0.247 nan 8.270 nan 0.000 0.506 341 D N -0.217 120.231 120.400 0.079 0.000 3.620 341 D HA -0.156 4.483 4.640 -0.001 0.000 0.237 341 D C -1.227 175.138 176.300 0.108 0.000 1.111 341 D CA 0.950 55.000 54.000 0.083 0.000 1.070 341 D CB -0.963 39.876 40.800 0.065 0.000 0.891 341 D HN 0.170 nan 8.370 nan 0.000 0.412 342 V N 1.808 121.806 119.914 0.141 0.000 2.385 342 V HA 0.546 4.665 4.120 -0.001 0.000 0.277 342 V C -0.010 176.119 176.094 0.059 0.000 1.012 342 V CA -0.623 61.764 62.300 0.145 0.000 0.832 342 V CB 1.294 33.259 31.823 0.237 0.000 1.028 342 V HN 0.299 nan 8.190 nan 0.000 0.436 343 Q N 6.289 126.109 119.800 0.033 0.000 2.259 343 Q HA 0.550 4.890 4.340 -0.001 0.000 0.249 343 Q C -2.322 173.618 176.000 -0.100 0.000 0.914 343 Q CA -1.597 54.193 55.803 -0.022 0.000 0.904 343 Q CB 1.696 30.445 28.738 0.018 0.000 1.213 343 Q HN 0.683 nan 8.270 nan 0.000 0.428 344 P HA 0.206 nan 4.420 nan 0.000 0.282 344 P C -1.150 176.176 177.300 0.043 0.000 1.259 344 P CA -0.542 62.423 63.100 -0.224 0.000 0.826 344 P CB 0.736 32.284 31.700 -0.254 0.000 1.064 345 A N 2.358 125.280 122.820 0.170 0.000 2.613 345 A HA -0.057 4.262 4.320 -0.001 0.000 0.230 345 A C 0.725 178.426 177.584 0.196 0.000 1.051 345 A CA 0.079 52.219 52.037 0.172 0.000 0.754 345 A CB -0.468 18.617 19.000 0.142 0.000 0.979 345 A HN 0.630 nan 8.150 nan 0.000 0.510 346 R N 1.247 121.782 120.500 0.058 0.000 2.538 346 R HA 0.159 4.498 4.340 -0.001 0.000 0.282 346 R C -0.664 175.508 176.300 -0.213 0.000 1.009 346 R CA 0.816 56.783 56.100 -0.222 0.000 1.063 346 R CB -0.365 29.639 30.300 -0.495 0.000 0.945 346 R HN 0.872 nan 8.270 nan 0.000 0.414 347 Y N 0.143 120.524 120.300 0.135 0.000 4.272 347 Y HA -0.349 4.200 4.550 -0.001 0.000 0.232 347 Y C -0.103 175.644 175.900 -0.255 0.000 1.149 347 Y CA 0.550 58.677 58.100 0.045 0.000 1.961 347 Y CB -2.131 36.166 38.460 -0.271 0.000 1.611 347 Y HN 0.674 nan 8.280 nan 0.000 0.682 348 H N 0.210 119.429 119.070 0.248 0.000 2.864 348 H HA 0.798 5.353 4.556 -0.001 0.000 0.354 348 H C 0.197 175.604 175.328 0.133 0.000 1.208 348 H CA -0.681 55.478 56.048 0.184 0.000 1.191 348 H CB 2.026 31.857 29.762 0.116 0.000 1.889 348 H HN 0.142 nan 8.280 nan 0.000 0.574 349 I N -1.187 119.513 120.570 0.217 0.000 2.441 349 I HA 0.570 4.740 4.170 -0.001 0.000 0.295 349 I C 0.767 176.795 176.117 -0.148 0.000 0.994 349 I CA -0.954 60.386 61.300 0.067 0.000 1.144 349 I CB 2.034 40.116 38.000 0.136 0.000 1.314 349 I HN 0.547 nan 8.210 nan 0.000 0.445 350 A N 5.391 127.994 122.820 -0.362 0.000 1.855 350 A HA 0.290 4.609 4.320 -0.001 0.000 0.213 350 A C 0.576 177.755 177.584 -0.675 0.000 1.195 350 A CA 0.937 52.408 52.037 -0.944 0.000 0.610 350 A CB -0.285 18.145 19.000 -0.951 0.000 0.837 350 A HN 0.649 nan 8.150 nan 0.000 0.444 351 F N -1.131 118.786 119.950 -0.055 0.000 2.444 351 F HA 0.629 5.155 4.527 -0.001 0.000 0.342 351 F C 0.708 176.514 175.800 0.009 0.000 1.121 351 F CA 0.220 58.257 58.000 0.061 0.000 0.997 351 F CB 2.053 41.146 39.000 0.155 0.000 1.130 351 F HN 0.362 nan 8.300 nan 0.000 0.454 352 G N 2.626 111.382 108.800 -0.074 0.000 2.570 352 G HA2 0.528 4.487 3.960 -0.001 0.000 0.310 352 G HA3 0.528 4.487 3.960 -0.001 0.000 0.310 352 G C -3.343 170.830 174.900 -1.212 0.000 1.266 352 G CA -1.195 43.381 45.100 -0.873 0.000 0.825 352 G HN 0.195 nan 8.290 nan 0.000 0.483 353 P HA 0.440 nan 4.420 nan 0.000 0.269 353 P C -0.554 176.418 177.300 -0.547 0.000 1.215 353 P CA -0.158 62.406 63.100 -0.892 0.000 0.780 353 P CB 1.212 32.453 31.700 -0.764 0.000 0.898 354 V N 1.540 121.215 119.914 -0.398 0.000 3.007 354 V HA 0.256 4.375 4.120 -0.001 0.000 0.311 354 V C -0.168 175.749 176.094 -0.295 0.000 1.120 354 V CA -0.943 61.152 62.300 -0.342 0.000 0.980 354 V CB 2.436 34.121 31.823 -0.230 0.000 1.033 354 V HN 0.159 nan 8.190 nan 0.000 0.429 355 V N 3.291 123.031 119.914 -0.291 0.000 2.455 355 V HA 0.268 4.387 4.120 -0.001 0.000 0.273 355 V C 0.475 176.503 176.094 -0.110 0.000 1.045 355 V CA 0.390 62.591 62.300 -0.165 0.000 0.976 355 V CB 1.032 32.814 31.823 -0.069 0.000 0.993 355 V HN 1.148 nan 8.190 nan 0.000 0.475 356 D N 2.697 123.039 120.400 -0.097 0.000 2.525 356 D HA 0.156 4.795 4.640 -0.001 0.000 0.231 356 D C 1.284 177.562 176.300 -0.037 0.000 1.216 356 D CA 0.549 54.508 54.000 -0.070 0.000 0.813 356 D CB 0.585 41.331 40.800 -0.091 0.000 1.108 356 D HN 0.774 nan 8.370 nan 0.000 0.524 357 G N 0.862 109.638 108.800 -0.041 0.000 2.189 357 G HA2 -0.365 3.594 3.960 -0.001 0.000 0.267 357 G HA3 -0.365 3.594 3.960 -0.001 0.000 0.267 357 G C 0.563 175.472 174.900 0.015 0.000 0.975 357 G CA 0.968 46.060 45.100 -0.013 0.000 0.644 357 G HN 0.522 nan 8.290 nan 0.000 0.537 358 D N -0.597 119.803 120.400 0.000 0.000 2.928 358 D HA 0.154 4.793 4.640 -0.001 0.000 0.265 358 D C 2.702 179.009 176.300 0.013 0.000 1.542 358 D CA 1.812 55.854 54.000 0.070 0.000 1.133 358 D CB -0.390 40.452 40.800 0.071 0.000 1.057 358 D HN 0.666 nan 8.370 nan 0.000 0.331 359 V N -0.248 119.576 119.914 -0.150 0.000 3.406 359 V HA 0.282 4.401 4.120 -0.001 0.000 0.263 359 V C 0.306 176.307 176.094 -0.155 0.000 1.172 359 V CA 0.322 62.471 62.300 -0.252 0.000 1.140 359 V CB 0.391 31.951 31.823 -0.438 0.000 0.784 359 V HN 0.045 nan 8.190 nan 0.000 0.467 360 V N 1.584 121.407 119.914 -0.153 0.000 2.380 360 V HA 0.386 4.505 4.120 -0.001 0.000 0.268 360 V C -1.732 174.273 176.094 -0.149 0.000 1.008 360 V CA -0.875 61.337 62.300 -0.147 0.000 0.823 360 V CB 1.114 32.848 31.823 -0.149 0.000 1.053 360 V HN 0.225 nan 8.190 nan 0.000 0.446 361 P HA -0.053 nan 4.420 nan 0.000 0.218 361 P C 0.337 177.583 177.300 -0.090 0.000 1.148 361 P CA 1.436 64.410 63.100 -0.210 0.000 0.822 361 P CB 0.499 31.922 31.700 -0.462 0.000 0.784 362 D N -2.666 117.691 120.400 -0.072 0.000 2.812 362 D HA 0.094 4.734 4.640 -0.001 0.000 0.318 362 D C -1.302 175.001 176.300 0.005 0.000 1.234 362 D CA -0.546 53.443 54.000 -0.019 0.000 0.989 362 D CB 0.823 41.619 40.800 -0.008 0.000 1.442 362 D HN -0.259 nan 8.370 nan 0.000 0.537 363 D N 0.539 120.969 120.400 0.050 0.000 2.358 363 D HA 0.154 4.793 4.640 -0.001 0.000 0.258 363 D C -1.739 174.588 176.300 0.045 0.000 1.223 363 D CA -1.235 52.828 54.000 0.105 0.000 0.886 363 D CB 1.439 42.303 40.800 0.107 0.000 1.120 363 D HN -0.077 nan 8.370 nan 0.000 0.482 364 P HA -0.229 nan 4.420 nan 0.000 0.219 364 P C 1.008 178.303 177.300 -0.009 0.000 1.153 364 P CA 1.278 64.377 63.100 -0.002 0.000 0.865 364 P CB 0.188 31.885 31.700 -0.005 0.000 0.788 365 E N -1.050 119.152 120.200 0.004 0.000 2.150 365 E HA -0.133 4.216 4.350 -0.001 0.000 0.193 365 E C 1.877 178.480 176.600 0.004 0.000 0.985 365 E CA 0.694 57.090 56.400 -0.006 0.000 0.814 365 E CB -0.335 29.357 29.700 -0.014 0.000 0.752 365 E HN 0.201 nan 8.360 nan 0.000 0.466 366 I N 0.520 121.093 120.570 0.006 0.000 2.193 366 I HA -0.267 3.902 4.170 -0.001 0.000 0.240 366 I C 2.341 178.471 176.117 0.022 0.000 1.084 366 I CA 0.679 61.987 61.300 0.013 0.000 1.365 366 I CB -0.197 37.806 38.000 0.005 0.000 1.064 366 I HN 0.119 nan 8.210 nan 0.000 0.410 367 L N -0.177 121.055 121.223 0.016 0.000 2.051 367 L HA -0.312 4.027 4.340 -0.001 0.000 0.214 367 L C 2.651 179.568 176.870 0.077 0.000 1.076 367 L CA 1.731 56.591 54.840 0.034 0.000 0.758 367 L CB -0.434 41.639 42.059 0.023 0.000 0.890 367 L HN 0.317 nan 8.230 nan 0.000 0.433 368 M N -1.492 118.115 119.600 0.013 0.000 2.098 368 M HA -0.232 4.247 4.480 -0.001 0.000 0.262 368 M C 2.353 178.751 176.300 0.164 0.000 1.072 368 M CA 1.663 56.956 55.300 -0.013 0.000 1.133 368 M CB -0.336 32.156 32.600 -0.181 0.000 1.344 368 M HN 0.199 nan 8.290 nan 0.000 0.414 369 Q N -0.147 119.728 119.800 0.125 0.000 2.197 369 Q HA -0.270 4.069 4.340 -0.001 0.000 0.207 369 Q C 1.925 178.062 176.000 0.228 0.000 0.984 369 Q CA 1.572 57.487 55.803 0.187 0.000 0.869 369 Q CB -0.096 28.703 28.738 0.102 0.000 0.906 369 Q HN 0.398 nan 8.270 nan 0.000 0.426 370 Q N -1.025 118.826 119.800 0.085 0.000 2.389 370 Q HA 0.075 4.414 4.340 -0.001 0.000 0.204 370 Q C 0.453 176.288 176.000 -0.275 0.000 0.944 370 Q CA 0.776 56.581 55.803 0.003 0.000 0.908 370 Q CB 0.520 29.248 28.738 -0.016 0.000 1.002 370 Q HN 0.461 nan 8.270 nan 0.000 0.493 371 G N 1.076 109.460 108.800 -0.693 0.000 2.256 371 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.272 371 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.272 371 G C -0.211 174.119 174.900 -0.951 0.000 1.076 371 G CA 0.400 44.448 45.100 -1.752 0.000 0.882 371 G HN 0.256 nan 8.290 nan 0.000 0.497 372 E N -0.213 119.785 120.200 -0.337 0.000 2.464 372 E HA 0.561 4.910 4.350 -0.001 0.000 0.260 372 E C 0.103 176.731 176.600 0.047 0.000 1.318 372 E CA -0.536 55.784 56.400 -0.134 0.000 1.571 372 E CB -0.354 29.346 29.700 -0.000 0.000 1.525 372 E HN 0.688 nan 8.360 nan 0.000 0.449 373 F N -1.387 118.454 119.950 -0.182 0.000 2.650 373 F HA 0.459 4.985 4.527 -0.001 0.000 0.310 373 F C -0.967 174.720 175.800 -0.188 0.000 1.112 373 F CA -1.437 56.479 58.000 -0.141 0.000 0.986 373 F CB 0.732 39.675 39.000 -0.096 0.000 1.285 373 F HN -0.270 nan 8.300 nan 0.000 0.440 374 L N 2.191 123.315 121.223 -0.165 0.000 2.466 374 L HA 0.305 4.644 4.340 -0.001 0.000 0.257 374 L C -0.004 176.680 176.870 -0.311 0.000 1.189 374 L CA -0.765 53.893 54.840 -0.303 0.000 0.813 374 L CB 0.318 42.176 42.059 -0.336 0.000 1.118 374 L HN 0.590 nan 8.230 nan 0.000 0.471 375 N N 1.082 119.673 118.700 -0.182 0.000 2.399 375 N HA 0.183 4.922 4.740 -0.001 0.000 0.259 375 N C -1.030 174.533 175.510 0.088 0.000 1.160 375 N CA 0.136 53.187 53.050 0.002 0.000 0.946 375 N CB 0.131 38.648 38.487 0.050 0.000 1.156 375 N HN 0.245 nan 8.380 nan 0.000 0.489 376 Y N 0.252 120.682 120.300 0.216 0.000 2.409 376 Y HA 0.273 4.822 4.550 -0.001 0.000 0.339 376 Y C 0.717 176.727 175.900 0.183 0.000 1.033 376 Y CA -1.336 56.871 58.100 0.179 0.000 1.094 376 Y CB 0.912 39.505 38.460 0.221 0.000 1.210 376 Y HN 0.313 nan 8.280 nan 0.000 0.456 377 D N 3.174 123.780 120.400 0.344 0.000 2.424 377 D HA 0.139 4.779 4.640 -0.001 0.000 0.244 377 D C -0.116 176.461 176.300 0.461 0.000 1.134 377 D CA 0.593 54.793 54.000 0.334 0.000 0.881 377 D CB 0.774 41.663 40.800 0.150 0.000 1.191 377 D HN 0.271 nan 8.370 nan 0.000 0.445 378 M N 1.803 121.639 119.600 0.394 0.000 2.528 378 M HA 0.452 4.931 4.480 -0.001 0.000 0.321 378 M C -0.488 175.745 176.300 -0.111 0.000 1.153 378 M CA -0.767 54.619 55.300 0.142 0.000 0.951 378 M CB 1.949 34.570 32.600 0.035 0.000 1.705 378 M HN 0.239 nan 8.290 nan 0.000 0.451 379 L N 4.160 125.171 121.223 -0.353 0.000 2.518 379 L HA 0.573 4.912 4.340 -0.001 0.000 0.262 379 L C -1.536 175.137 176.870 -0.328 0.000 0.982 379 L CA -0.161 54.372 54.840 -0.513 0.000 0.873 379 L CB 1.090 42.486 42.059 -1.105 0.000 1.198 379 L HN 0.654 nan 8.230 nan 0.000 0.427 380 I N 2.736 123.097 120.570 -0.348 0.000 2.530 380 I HA 0.870 5.040 4.170 -0.001 0.000 0.297 380 I C 0.327 175.746 176.117 -1.164 0.000 1.011 380 I CA -0.694 60.276 61.300 -0.551 0.000 1.107 380 I CB 1.965 39.691 38.000 -0.456 0.000 1.285 380 I HN 0.560 nan 8.210 nan 0.000 0.436 381 G N 3.696 111.704 108.800 -1.321 0.000 2.646 381 G HA2 0.658 4.617 3.960 -0.001 0.000 0.291 381 G HA3 0.658 4.617 3.960 -0.001 0.000 0.291 381 G C -1.381 172.977 174.900 -0.903 0.000 1.445 381 G CA -0.602 43.345 45.100 -1.922 0.000 0.814 381 G HN 0.645 nan 8.290 nan 0.000 0.495 382 V N -1.775 117.840 119.914 -0.498 0.000 3.001 382 V HA 0.806 4.925 4.120 -0.001 0.000 0.314 382 V C -1.001 175.174 176.094 0.135 0.000 1.099 382 V CA -1.594 60.684 62.300 -0.037 0.000 0.989 382 V CB 2.093 33.999 31.823 0.138 0.000 1.040 382 V HN 0.578 nan 8.190 nan 0.000 0.434 383 N N 1.724 120.520 118.700 0.160 0.000 2.430 383 N HA 0.318 5.057 4.740 -0.001 0.000 0.292 383 N C 0.731 176.311 175.510 0.117 0.000 1.051 383 N CA -0.346 52.834 53.050 0.217 0.000 0.917 383 N CB 1.595 40.192 38.487 0.183 0.000 1.164 383 N HN 0.972 nan 8.380 nan 0.000 0.484 384 Q N 1.579 121.379 119.800 -0.001 0.000 2.207 384 Q HA -0.186 4.153 4.340 -0.001 0.000 0.215 384 Q C -0.031 175.934 176.000 -0.057 0.000 1.006 384 Q CA 1.946 57.580 55.803 -0.281 0.000 0.903 384 Q CB -0.114 27.981 28.738 -1.071 0.000 0.947 384 Q HN 0.785 nan 8.270 nan 0.000 0.414 385 G N -0.183 108.595 108.800 -0.037 0.000 4.566 385 G HA2 0.149 4.109 3.960 -0.001 0.000 0.276 385 G HA3 0.149 4.109 3.960 -0.001 0.000 0.276 385 G C -0.056 174.838 174.900 -0.010 0.000 1.248 385 G CA -0.452 44.659 45.100 0.018 0.000 0.858 385 G HN 0.148 nan 8.290 nan 0.000 0.549 386 E N 1.184 121.334 120.200 -0.084 0.000 2.007 386 E HA -0.122 4.227 4.350 -0.001 0.000 0.203 386 E C 2.010 178.433 176.600 -0.295 0.000 1.020 386 E CA 1.386 57.560 56.400 -0.376 0.000 0.845 386 E CB -0.234 28.931 29.700 -0.892 0.000 0.779 386 E HN 0.381 nan 8.360 nan 0.000 0.466 387 G N 1.840 110.598 108.800 -0.071 0.000 3.180 387 G HA2 0.150 4.109 3.960 -0.001 0.000 0.252 387 G HA3 0.150 4.109 3.960 -0.001 0.000 0.252 387 G C 0.978 176.097 174.900 0.365 0.000 0.871 387 G CA -0.131 45.226 45.100 0.428 0.000 1.979 387 G HN 0.078 nan 8.290 nan 0.000 0.624 388 L N 0.153 121.499 121.223 0.206 0.000 2.131 388 L HA 0.100 4.439 4.340 -0.001 0.000 0.210 388 L C 2.426 179.426 176.870 0.216 0.000 1.092 388 L CA 1.710 56.670 54.840 0.201 0.000 0.759 388 L CB -0.066 42.059 42.059 0.109 0.000 0.903 388 L HN 0.243 nan 8.230 nan 0.000 0.435 389 K N -1.291 119.239 120.400 0.216 0.000 2.439 389 K HA -0.140 4.179 4.320 -0.001 0.000 0.197 389 K C 1.870 178.565 176.600 0.158 0.000 1.041 389 K CA 1.060 57.454 56.287 0.178 0.000 0.970 389 K CB -0.221 32.386 32.500 0.179 0.000 0.773 389 K HN 0.383 nan 8.250 nan 0.000 0.479 390 F N 0.998 120.940 119.950 -0.014 0.000 2.075 390 F HA -0.209 4.318 4.527 -0.001 0.000 0.297 390 F C 1.673 177.427 175.800 -0.077 0.000 1.113 390 F CA 1.210 59.076 58.000 -0.224 0.000 1.218 390 F CB 0.091 38.810 39.000 -0.469 0.000 0.984 390 F HN -0.165 nan 8.300 nan 0.000 0.472 391 V N -1.694 118.236 119.914 0.027 0.000 3.636 391 V HA -0.011 4.108 4.120 -0.001 0.000 0.279 391 V C 1.606 177.711 176.094 0.018 0.000 1.263 391 V CA 1.054 63.331 62.300 -0.037 0.000 1.182 391 V CB -0.848 31.036 31.823 0.101 0.000 0.955 391 V HN 0.526 nan 8.190 nan 0.000 0.443 392 E N 2.220 122.433 120.200 0.022 0.000 2.077 392 E HA -0.294 4.056 4.350 -0.001 0.000 0.193 392 E C 2.003 178.618 176.600 0.025 0.000 0.989 392 E CA 1.696 58.132 56.400 0.059 0.000 0.800 392 E CB -0.199 29.532 29.700 0.052 0.000 0.746 392 E HN 0.895 nan 8.360 nan 0.000 0.452 393 D N -0.004 120.375 120.400 -0.035 0.000 2.172 393 D HA -0.192 4.447 4.640 -0.001 0.000 0.196 393 D C 0.862 177.164 176.300 0.003 0.000 0.999 393 D CA 1.139 55.125 54.000 -0.025 0.000 0.856 393 D CB -0.131 40.634 40.800 -0.058 0.000 0.934 393 D HN 0.015 nan 8.370 nan 0.000 0.453 394 S N -1.043 114.656 115.700 -0.000 0.000 2.216 394 S HA 0.585 5.054 4.470 -0.001 0.000 0.156 394 S C 0.220 174.843 174.600 0.038 0.000 1.665 394 S CA -0.111 58.101 58.200 0.020 0.000 1.262 394 S CB 0.704 63.909 63.200 0.009 0.000 1.207 394 S HN 0.413 nan 8.310 nan 0.000 0.427 395 A N 2.586 125.471 122.820 0.109 0.000 1.973 395 A HA 0.313 4.632 4.320 -0.001 0.000 0.210 395 A C 0.640 178.468 177.584 0.407 0.000 1.200 395 A CA 0.068 52.255 52.037 0.250 0.000 0.707 395 A CB 0.089 19.313 19.000 0.372 0.000 0.862 395 A HN 0.725 nan 8.150 nan 0.000 0.461 396 E N 0.450 120.828 120.200 0.297 0.000 3.167 396 E HA 0.353 4.702 4.350 -0.001 0.000 0.212 396 E C -0.041 176.654 176.600 0.158 0.000 1.143 396 E CA 0.212 56.802 56.400 0.317 0.000 1.002 396 E CB 0.536 30.364 29.700 0.214 0.000 1.315 396 E HN 0.330 nan 8.360 nan 0.000 0.422 397 S N 0.810 116.574 115.700 0.107 0.000 2.524 397 S HA 0.064 4.534 4.470 -0.001 0.000 0.222 397 S C 0.490 175.113 174.600 0.038 0.000 1.040 397 S CA -0.248 57.983 58.200 0.051 0.000 0.915 397 S CB -0.017 63.195 63.200 0.019 0.000 0.831 397 S HN 0.285 nan 8.310 nan 0.000 0.492 398 E N 1.322 121.546 120.200 0.039 0.000 2.759 398 E HA -0.127 4.222 4.350 -0.001 0.000 0.280 398 E C -0.553 176.044 176.600 -0.005 0.000 1.009 398 E CA 1.147 57.569 56.400 0.037 0.000 0.849 398 E CB -1.909 27.834 29.700 0.073 0.000 1.415 398 E HN 0.879 nan 8.360 nan 0.000 0.412 399 D N -2.571 117.805 120.400 -0.041 0.000 2.640 399 D HA 0.411 5.050 4.640 -0.001 0.000 0.282 399 D C 0.908 177.157 176.300 -0.085 0.000 1.558 399 D CA 0.353 54.322 54.000 -0.051 0.000 0.820 399 D CB -0.188 40.593 40.800 -0.031 0.000 1.243 399 D HN 0.489 nan 8.370 nan 0.000 0.456 400 G N 0.136 108.856 108.800 -0.134 0.000 2.508 400 G HA2 0.061 4.020 3.960 -0.001 0.000 0.220 400 G HA3 0.061 4.020 3.960 -0.001 0.000 0.220 400 G C -0.475 174.351 174.900 -0.124 0.000 1.287 400 G CA 0.050 45.045 45.100 -0.174 0.000 0.916 400 G HN 1.028 nan 8.290 nan 0.000 0.574 401 V N -2.662 117.197 119.914 -0.093 0.000 2.555 401 V HA 0.828 4.947 4.120 -0.001 0.000 0.302 401 V C 0.781 176.871 176.094 -0.008 0.000 1.038 401 V CA 0.155 62.439 62.300 -0.027 0.000 0.887 401 V CB 1.296 33.131 31.823 0.021 0.000 0.991 401 V HN 1.906 nan 8.190 nan 0.000 0.434 402 S N 2.855 118.563 115.700 0.014 0.000 2.549 402 S HA 0.391 4.861 4.470 -0.001 0.000 0.286 402 S C 1.587 176.221 174.600 0.057 0.000 1.314 402 S CA 0.216 58.426 58.200 0.017 0.000 1.062 402 S CB 0.913 64.125 63.200 0.020 0.000 0.865 402 S HN 1.582 nan 8.310 nan 0.000 0.498 403 A N 4.406 127.232 122.820 0.010 0.000 1.917 403 A HA -0.099 4.221 4.320 -0.001 0.000 0.219 403 A C 2.486 180.147 177.584 0.128 0.000 1.182 403 A CA 2.310 54.361 52.037 0.023 0.000 0.633 403 A CB -1.381 17.589 19.000 -0.051 0.000 0.819 403 A HN 0.937 nan 8.150 nan 0.000 0.448 404 S N -0.878 114.873 115.700 0.084 0.000 2.442 404 S HA 0.049 4.519 4.470 -0.001 0.000 0.236 404 S C 1.827 176.502 174.600 0.123 0.000 1.007 404 S CA 1.458 59.712 58.200 0.090 0.000 0.965 404 S CB -0.355 62.869 63.200 0.039 0.000 0.773 404 S HN 0.821 nan 8.310 nan 0.000 0.504 405 A N -0.169 122.738 122.820 0.144 0.000 1.997 405 A HA 0.258 4.577 4.320 -0.001 0.000 0.212 405 A C 1.715 179.456 177.584 0.262 0.000 1.178 405 A CA 0.358 52.510 52.037 0.190 0.000 0.698 405 A CB -0.754 18.322 19.000 0.127 0.000 0.842 405 A HN 0.617 nan 8.150 nan 0.000 0.458 406 F N 2.414 122.411 119.950 0.079 0.000 2.051 406 F HA -0.232 4.294 4.527 -0.002 0.000 0.296 406 F C 2.238 178.091 175.800 0.087 0.000 1.122 406 F CA 2.340 60.373 58.000 0.054 0.000 1.201 406 F CB -0.125 38.878 39.000 0.005 0.000 0.978 406 F HN 0.448 nan 8.300 nan 0.000 0.472 407 D N -0.399 120.160 120.400 0.265 0.000 2.265 407 D HA -0.282 4.357 4.640 -0.001 0.000 0.208 407 D C 2.068 178.440 176.300 0.120 0.000 0.977 407 D CA 1.206 55.302 54.000 0.161 0.000 0.871 407 D CB -0.985 39.955 40.800 0.234 0.000 0.925 407 D HN 0.436 nan 8.370 nan 0.000 0.485 408 F N 2.435 122.394 119.950 0.015 0.000 2.179 408 F HA -0.051 4.476 4.527 -0.001 0.000 0.292 408 F C 2.407 178.204 175.800 -0.005 0.000 1.089 408 F CA 2.170 60.178 58.000 0.015 0.000 1.295 408 F CB -0.747 38.266 39.000 0.021 0.000 1.041 408 F HN -0.002 nan 8.300 nan 0.000 0.487 409 T N -1.652 112.777 114.554 -0.208 0.000 3.007 409 T HA -0.068 4.281 4.350 -0.001 0.000 0.270 409 T C 1.879 176.462 174.700 -0.196 0.000 1.107 409 T CA 1.213 63.126 62.100 -0.313 0.000 1.118 409 T CB -0.962 67.772 68.868 -0.224 0.000 0.889 409 T HN 0.175 nan 8.240 nan 0.000 0.506 410 V N 0.838 120.611 119.914 -0.235 0.000 2.725 410 V HA -0.002 4.117 4.120 -0.001 0.000 0.247 410 V C 2.865 178.986 176.094 0.045 0.000 1.058 410 V CA 1.354 63.570 62.300 -0.139 0.000 1.080 410 V CB -0.446 31.203 31.823 -0.290 0.000 0.713 410 V HN 0.506 nan 8.190 nan 0.000 0.465 411 S N 0.621 116.306 115.700 -0.025 0.000 2.387 411 S HA -0.151 4.318 4.470 -0.001 0.000 0.226 411 S C 1.768 176.370 174.600 0.003 0.000 1.026 411 S CA 1.814 60.025 58.200 0.018 0.000 0.972 411 S CB -0.453 62.764 63.200 0.030 0.000 0.814 411 S HN 0.748 nan 8.310 nan 0.000 0.477 412 N N -0.122 118.506 118.700 -0.121 0.000 2.244 412 N HA -0.055 4.684 4.740 -0.001 0.000 0.183 412 N C 1.418 177.012 175.510 0.139 0.000 1.016 412 N CA 1.234 54.242 53.050 -0.070 0.000 0.866 412 N CB -0.244 38.092 38.487 -0.250 0.000 0.980 412 N HN 0.399 nan 8.380 nan 0.000 0.430 413 F N 2.081 122.065 119.950 0.057 0.000 2.051 413 F HA -0.160 4.366 4.527 -0.002 0.000 0.296 413 F C 2.133 178.026 175.800 0.154 0.000 1.122 413 F CA 1.140 59.219 58.000 0.132 0.000 1.201 413 F CB -0.568 38.478 39.000 0.077 0.000 0.978 413 F HN -0.112 nan 8.300 nan 0.000 0.472 414 V N -2.380 117.622 119.914 0.148 0.000 3.305 414 V HA -0.104 4.016 4.120 -0.001 0.000 0.269 414 V C 1.690 177.867 176.094 0.138 0.000 1.157 414 V CA 1.761 64.127 62.300 0.110 0.000 1.157 414 V CB -0.739 31.138 31.823 0.090 0.000 0.772 414 V HN 0.278 nan 8.190 nan 0.000 0.498 415 D N 1.141 121.601 120.400 0.100 0.000 2.202 415 D HA -0.049 4.590 4.640 -0.001 0.000 0.214 415 D C 2.048 178.405 176.300 0.096 0.000 0.967 415 D CA 1.181 55.240 54.000 0.099 0.000 0.871 415 D CB -0.145 40.699 40.800 0.074 0.000 1.020 415 D HN 0.395 nan 8.370 nan 0.000 0.474 416 N N 0.647 119.407 118.700 0.100 0.000 2.104 416 N HA -0.100 4.639 4.740 -0.001 0.000 0.190 416 N C 1.882 177.452 175.510 0.101 0.000 1.024 416 N CA 0.726 53.860 53.050 0.141 0.000 0.853 416 N CB -0.138 38.522 38.487 0.287 0.000 1.008 416 N HN 0.260 nan 8.380 nan 0.000 0.424 417 L N -1.837 119.340 121.223 -0.076 0.000 2.554 417 L HA 0.118 4.458 4.340 -0.001 0.000 0.225 417 L C 0.894 177.496 176.870 -0.446 0.000 1.104 417 L CA 0.272 54.927 54.840 -0.308 0.000 0.866 417 L CB 0.166 41.827 42.059 -0.664 0.000 1.047 417 L HN 0.086 nan 8.230 nan 0.000 0.468 418 Y N -0.857 119.398 120.300 -0.076 0.000 2.965 418 Y HA 0.273 4.822 4.550 -0.002 0.000 0.242 418 Y C 1.718 177.709 175.900 0.152 0.000 1.078 418 Y CA -0.353 57.749 58.100 0.005 0.000 1.288 418 Y CB -0.230 38.207 38.460 -0.038 0.000 1.459 418 Y HN -0.074 nan 8.280 nan 0.000 0.438 419 G N 0.778 109.755 108.800 0.294 0.000 2.248 419 G HA2 0.128 4.088 3.960 -0.001 0.000 0.260 419 G HA3 0.128 4.088 3.960 -0.001 0.000 0.260 419 G C -0.306 174.747 174.900 0.256 0.000 1.214 419 G CA 0.646 45.906 45.100 0.267 0.000 0.979 419 G HN 0.626 nan 8.290 nan 0.000 0.454 420 Y N 0.854 121.206 120.300 0.087 0.000 2.954 420 Y HA 0.357 4.906 4.550 -0.001 0.000 0.267 420 Y C -1.397 174.538 175.900 0.058 0.000 1.093 420 Y CA -0.726 57.416 58.100 0.070 0.000 1.257 420 Y CB 0.460 38.980 38.460 0.101 0.000 1.317 420 Y HN 0.427 nan 8.280 nan 0.000 0.587 421 P HA 0.117 nan 4.420 nan 0.000 0.272 421 P C 1.132 177.978 177.300 -0.757 0.000 1.276 421 P CA 0.355 63.166 63.100 -0.482 0.000 0.871 421 P CB 0.704 32.316 31.700 -0.148 0.000 1.313 422 E N 1.309 121.030 120.200 -0.798 0.000 2.086 422 E HA -0.172 4.177 4.350 -0.001 0.000 0.200 422 E C 1.758 178.214 176.600 -0.239 0.000 1.012 422 E CA 1.850 58.027 56.400 -0.371 0.000 0.812 422 E CB -0.628 28.925 29.700 -0.244 0.000 0.743 422 E HN 0.285 nan 8.360 nan 0.000 0.453 423 G N 0.785 109.448 108.800 -0.229 0.000 2.848 423 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.208 423 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.208 423 G C 1.376 176.345 174.900 0.114 0.000 1.152 423 G CA 0.295 45.453 45.100 0.097 0.000 0.789 423 G HN 0.181 nan 8.290 nan 0.000 0.531 424 K N 0.723 121.122 120.400 -0.001 0.000 2.044 424 K HA -0.173 4.146 4.320 -0.001 0.000 0.210 424 K C 1.828 178.443 176.600 0.025 0.000 1.049 424 K CA 1.527 57.838 56.287 0.040 0.000 0.927 424 K CB -0.240 32.265 32.500 0.008 0.000 0.713 424 K HN 0.139 nan 8.250 nan 0.000 0.443 425 D N 0.281 120.684 120.400 0.005 0.000 2.269 425 D HA -0.224 4.415 4.640 -0.001 0.000 0.191 425 D C 1.930 178.251 176.300 0.036 0.000 1.007 425 D CA 1.979 55.991 54.000 0.020 0.000 0.855 425 D CB -0.348 40.457 40.800 0.008 0.000 0.979 425 D HN 0.063 nan 8.370 nan 0.000 0.452 426 V N 1.545 121.480 119.914 0.035 0.000 2.295 426 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 426 V C 2.549 178.668 176.094 0.042 0.000 1.049 426 V CA 0.977 63.300 62.300 0.038 0.000 1.024 426 V CB -0.377 31.469 31.823 0.039 0.000 0.648 426 V HN 0.306 nan 8.190 nan 0.000 0.447 427 L N 0.197 121.436 121.223 0.027 0.000 1.989 427 L HA -0.239 4.100 4.340 -0.001 0.000 0.211 427 L C 2.701 179.584 176.870 0.022 0.000 1.071 427 L CA 2.506 57.333 54.840 -0.022 0.000 0.749 427 L CB -0.839 41.138 42.059 -0.137 0.000 0.890 427 L HN 0.350 nan 8.230 nan 0.000 0.431 428 R N -0.308 120.214 120.500 0.037 0.000 2.094 428 R HA -0.211 4.128 4.340 -0.001 0.000 0.239 428 R C 2.023 178.395 176.300 0.120 0.000 1.137 428 R CA 1.748 57.900 56.100 0.087 0.000 0.943 428 R CB -0.185 30.164 30.300 0.082 0.000 0.850 428 R HN 0.384 nan 8.270 nan 0.000 0.433 429 E N -0.402 119.864 120.200 0.111 0.000 2.160 429 E HA -0.147 4.202 4.350 -0.001 0.000 0.195 429 E C 1.576 178.279 176.600 0.172 0.000 0.991 429 E CA 1.435 57.919 56.400 0.140 0.000 0.810 429 E CB -0.199 29.565 29.700 0.106 0.000 0.742 429 E HN 0.318 nan 8.360 nan 0.000 0.466 430 T N 0.332 114.971 114.554 0.141 0.000 3.122 430 T HA 0.117 4.466 4.350 -0.001 0.000 0.250 430 T C 1.590 176.409 174.700 0.198 0.000 1.067 430 T CA -0.090 62.105 62.100 0.157 0.000 0.966 430 T CB -0.088 68.833 68.868 0.089 0.000 1.002 430 T HN 0.279 nan 8.240 nan 0.000 0.542 431 I N -2.887 117.801 120.570 0.197 0.000 3.854 431 I HA 0.362 4.531 4.170 -0.001 0.000 0.312 431 I C 1.938 178.183 176.117 0.214 0.000 1.273 431 I CA 0.049 61.439 61.300 0.151 0.000 1.298 431 I CB -0.060 38.096 38.000 0.260 0.000 1.071 431 I HN -0.021 nan 8.210 nan 0.000 0.428 432 K N 1.356 121.905 120.400 0.248 0.000 1.984 432 K HA -0.125 4.194 4.320 -0.001 0.000 0.209 432 K C 2.010 178.825 176.600 0.358 0.000 1.046 432 K CA 2.058 58.555 56.287 0.351 0.000 0.934 432 K CB -0.402 32.305 32.500 0.345 0.000 0.717 432 K HN 0.317 nan 8.250 nan 0.000 0.438 433 F N 1.528 121.610 119.950 0.220 0.000 2.154 433 F HA -0.303 4.223 4.527 -0.001 0.000 0.301 433 F C 2.046 177.949 175.800 0.172 0.000 1.087 433 F CA 1.369 59.559 58.000 0.315 0.000 1.274 433 F CB -0.017 39.109 39.000 0.209 0.000 1.009 433 F HN -0.008 nan 8.300 nan 0.000 0.485 434 M N -0.681 118.924 119.600 0.010 0.000 2.117 434 M HA -0.205 4.274 4.480 -0.001 0.000 0.262 434 M C 1.732 177.691 176.300 -0.567 0.000 1.065 434 M CA 1.700 56.725 55.300 -0.457 0.000 1.114 434 M CB -1.594 30.374 32.600 -1.053 0.000 1.361 434 M HN 0.269 nan 8.290 nan 0.000 0.408 435 Y N -0.637 119.590 120.300 -0.122 0.000 2.468 435 Y HA 0.133 4.682 4.550 -0.001 0.000 0.268 435 Y C 0.528 176.358 175.900 -0.116 0.000 1.177 435 Y CA -0.115 57.958 58.100 -0.045 0.000 1.265 435 Y CB 0.008 38.521 38.460 0.087 0.000 1.103 435 Y HN -0.019 nan 8.280 nan 0.000 0.522 436 T N 1.106 115.526 114.554 -0.223 0.000 2.733 436 T HA 0.061 4.411 4.350 -0.001 0.000 0.294 436 T C -0.628 173.628 174.700 -0.740 0.000 0.956 436 T CA -0.654 61.066 62.100 -0.635 0.000 0.987 436 T CB 0.331 68.609 68.868 -0.984 0.000 0.920 436 T HN 0.139 nan 8.240 nan 0.000 0.470 437 D N 2.124 122.199 120.400 -0.541 0.000 2.371 437 D HA 0.075 4.714 4.640 -0.001 0.000 0.256 437 D C -0.075 175.933 176.300 -0.487 0.000 1.193 437 D CA -0.286 53.483 54.000 -0.384 0.000 0.881 437 D CB 0.536 41.203 40.800 -0.221 0.000 1.143 437 D HN 0.582 nan 8.370 nan 0.000 0.473 438 W N 3.288 124.466 121.300 -0.204 0.000 3.290 438 W HA 0.323 4.983 4.660 -0.001 0.000 0.287 438 W C 1.884 178.338 176.519 -0.108 0.000 1.288 438 W CA -0.068 57.179 57.345 -0.162 0.000 1.725 438 W CB -0.046 29.307 29.460 -0.178 0.000 1.103 438 W HN 0.598 nan 8.180 nan 0.000 0.670 439 A N 1.014 123.856 122.820 0.037 0.000 1.841 439 A HA -0.115 4.204 4.320 -0.001 0.000 0.214 439 A C 0.333 177.908 177.584 -0.015 0.000 1.195 439 A CA 1.694 53.739 52.037 0.013 0.000 0.611 439 A CB -0.728 18.265 19.000 -0.011 0.000 0.835 439 A HN 0.239 nan 8.150 nan 0.000 0.443 440 D N -2.535 117.824 120.400 -0.069 0.000 2.389 440 D HA 0.428 5.067 4.640 -0.001 0.000 0.256 440 D C -0.048 176.151 176.300 -0.167 0.000 1.239 440 D CA -0.470 53.477 54.000 -0.088 0.000 0.925 440 D CB 0.823 41.579 40.800 -0.073 0.000 1.145 440 D HN 0.187 nan 8.370 nan 0.000 0.542 441 R N 1.199 121.588 120.500 -0.185 0.000 2.343 441 R HA -0.021 4.318 4.340 -0.001 0.000 0.202 441 R C -0.098 176.068 176.300 -0.222 0.000 1.023 441 R CA 0.538 56.460 56.100 -0.296 0.000 1.084 441 R CB 0.214 30.336 30.300 -0.296 0.000 0.956 441 R HN 0.401 nan 8.270 nan 0.000 0.478 442 D N 0.158 120.464 120.400 -0.157 0.000 2.320 442 D HA -0.094 4.545 4.640 -0.001 0.000 0.228 442 D C 0.193 176.420 176.300 -0.122 0.000 0.978 442 D CA 0.702 54.630 54.000 -0.121 0.000 0.905 442 D CB -0.307 40.445 40.800 -0.079 0.000 1.051 442 D HN 0.284 nan 8.370 nan 0.000 0.471 443 N N 1.267 119.896 118.700 -0.117 0.000 2.452 443 N HA 0.049 4.788 4.740 -0.001 0.000 0.266 443 N C 1.118 176.547 175.510 -0.135 0.000 1.175 443 N CA 0.246 53.233 53.050 -0.106 0.000 0.945 443 N CB 1.544 39.980 38.487 -0.086 0.000 1.063 443 N HN 0.005 nan 8.380 nan 0.000 0.472 444 G N 2.438 111.161 108.800 -0.128 0.000 2.448 444 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.219 444 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.219 444 G C 1.186 175.987 174.900 -0.165 0.000 1.127 444 G CA 0.344 45.359 45.100 -0.141 0.000 0.766 444 G HN 0.658 nan 8.290 nan 0.000 0.552 445 E N -0.658 119.442 120.200 -0.166 0.000 2.130 445 E HA -0.163 4.186 4.350 -0.001 0.000 0.196 445 E C 2.306 178.807 176.600 -0.165 0.000 0.998 445 E CA 1.235 57.516 56.400 -0.198 0.000 0.806 445 E CB -0.144 29.471 29.700 -0.141 0.000 0.738 445 E HN 0.405 nan 8.360 nan 0.000 0.459 446 M N -0.195 119.323 119.600 -0.136 0.000 2.123 446 M HA -0.057 4.422 4.480 -0.001 0.000 0.263 446 M C 1.863 178.086 176.300 -0.128 0.000 1.069 446 M CA 1.527 56.754 55.300 -0.121 0.000 1.133 446 M CB 0.089 32.605 32.600 -0.140 0.000 1.356 446 M HN -0.115 nan 8.290 nan 0.000 0.415 447 R N -1.090 119.304 120.500 -0.177 0.000 2.105 447 R HA -0.155 4.184 4.340 -0.001 0.000 0.239 447 R C 2.429 178.727 176.300 -0.002 0.000 1.135 447 R CA 1.578 57.572 56.100 -0.177 0.000 0.967 447 R CB -0.390 29.749 30.300 -0.267 0.000 0.861 447 R HN 0.390 nan 8.270 nan 0.000 0.442 448 R N 0.776 121.233 120.500 -0.071 0.000 2.075 448 R HA -0.096 4.243 4.340 -0.001 0.000 0.232 448 R C 1.925 178.207 176.300 -0.031 0.000 1.126 448 R CA 1.188 57.240 56.100 -0.080 0.000 0.963 448 R CB 0.110 30.242 30.300 -0.279 0.000 0.858 448 R HN -0.033 nan 8.270 nan 0.000 0.435 449 K N -0.142 120.224 120.400 -0.057 0.000 2.063 449 K HA -0.112 4.207 4.320 -0.001 0.000 0.208 449 K C 2.054 178.714 176.600 0.100 0.000 1.048 449 K CA 2.107 58.408 56.287 0.024 0.000 0.928 449 K CB -0.481 32.028 32.500 0.015 0.000 0.713 449 K HN 0.437 nan 8.250 nan 0.000 0.442 450 T N -0.813 113.804 114.554 0.106 0.000 3.014 450 T HA 0.064 4.413 4.350 -0.001 0.000 0.263 450 T C 2.144 176.967 174.700 0.206 0.000 1.078 450 T CA 0.241 62.455 62.100 0.190 0.000 1.135 450 T CB -0.214 68.763 68.868 0.183 0.000 0.895 450 T HN 0.014 nan 8.240 nan 0.000 0.480 451 L N 0.007 121.370 121.223 0.233 0.000 2.093 451 L HA 0.116 4.455 4.340 -0.001 0.000 0.208 451 L C 2.570 179.584 176.870 0.239 0.000 1.085 451 L CA 0.971 55.948 54.840 0.228 0.000 0.755 451 L CB -0.368 41.848 42.059 0.263 0.000 0.904 451 L HN 0.282 nan 8.230 nan 0.000 0.435 452 L N -0.612 120.758 121.223 0.245 0.000 1.994 452 L HA -0.206 4.133 4.340 -0.001 0.000 0.208 452 L C 2.723 179.705 176.870 0.187 0.000 1.071 452 L CA 1.573 56.579 54.840 0.275 0.000 0.745 452 L CB -0.332 41.874 42.059 0.245 0.000 0.892 452 L HN 0.222 nan 8.230 nan 0.000 0.431 453 A N -0.247 122.667 122.820 0.157 0.000 1.917 453 A HA -0.294 4.025 4.320 -0.001 0.000 0.219 453 A C 2.278 179.882 177.584 0.033 0.000 1.182 453 A CA 2.177 54.316 52.037 0.170 0.000 0.633 453 A CB -1.059 18.093 19.000 0.254 0.000 0.819 453 A HN 0.566 nan 8.150 nan 0.000 0.448 454 L N -2.208 118.811 121.223 -0.340 0.000 1.990 454 L HA -0.193 4.146 4.340 -0.001 0.000 0.213 454 L C 2.383 178.971 176.870 -0.471 0.000 1.072 454 L CA 2.353 56.646 54.840 -0.912 0.000 0.755 454 L CB -0.326 41.094 42.059 -1.064 0.000 0.889 454 L HN 0.419 nan 8.230 nan 0.000 0.432 455 F N 0.179 119.764 119.950 -0.608 0.000 2.113 455 F HA -0.194 4.332 4.527 -0.001 0.000 0.297 455 F C 2.453 178.203 175.800 -0.083 0.000 1.103 455 F CA 2.019 59.661 58.000 -0.596 0.000 1.248 455 F CB -0.703 37.727 39.000 -0.950 0.000 0.999 455 F HN 0.027 nan 8.300 nan 0.000 0.475 456 T N 0.278 114.941 114.554 0.182 0.000 2.597 456 T HA -0.248 4.102 4.350 -0.001 0.000 0.267 456 T C 1.482 176.311 174.700 0.214 0.000 1.053 456 T CA 1.977 64.254 62.100 0.294 0.000 1.165 456 T CB -0.511 68.503 68.868 0.244 0.000 0.863 456 T HN 0.221 nan 8.240 nan 0.000 0.427 457 D N -0.413 120.088 120.400 0.168 0.000 2.149 457 D HA -0.097 4.542 4.640 -0.001 0.000 0.198 457 D C 1.920 178.190 176.300 -0.050 0.000 0.990 457 D CA 1.253 55.377 54.000 0.206 0.000 0.839 457 D CB -0.389 40.699 40.800 0.480 0.000 0.948 457 D HN 0.493 nan 8.370 nan 0.000 0.460 458 H N -0.045 118.767 119.070 -0.430 0.000 2.384 458 H HA 0.069 4.624 4.556 -0.001 0.000 0.300 458 H C 1.764 176.639 175.328 -0.755 0.000 1.057 458 H CA 1.247 56.794 56.048 -0.835 0.000 1.370 458 H CB 0.327 29.558 29.762 -0.886 0.000 1.417 458 H HN -0.103 nan 8.280 nan 0.000 0.527 459 Q N -1.322 117.941 119.800 -0.894 0.000 2.250 459 Q HA -0.023 4.317 4.340 -0.001 0.000 0.200 459 Q C 1.584 177.023 176.000 -0.935 0.000 0.941 459 Q CA 0.739 55.776 55.803 -1.277 0.000 0.872 459 Q CB 0.303 27.826 28.738 -2.025 0.000 0.965 459 Q HN 0.587 nan 8.270 nan 0.000 0.480 460 W N -0.844 120.292 121.300 -0.274 0.000 3.227 460 W HA 0.121 4.780 4.660 -0.001 0.000 0.246 460 W C 1.983 178.494 176.519 -0.013 0.000 1.007 460 W CA 0.408 57.706 57.345 -0.078 0.000 1.925 460 W CB -0.547 28.925 29.460 0.020 0.000 1.062 460 W HN -0.016 nan 8.180 nan 0.000 0.649 461 V N 1.174 121.254 119.914 0.277 0.000 2.346 461 V HA -0.019 4.100 4.120 -0.001 0.000 0.244 461 V C 2.165 178.379 176.094 0.199 0.000 1.037 461 V CA 2.598 65.073 62.300 0.291 0.000 1.029 461 V CB -0.731 31.329 31.823 0.394 0.000 0.663 461 V HN -0.036 nan 8.190 nan 0.000 0.454 462 A N 1.622 124.511 122.820 0.116 0.000 1.873 462 A HA -0.093 4.226 4.320 -0.001 0.000 0.218 462 A C 0.787 178.392 177.584 0.035 0.000 1.193 462 A CA 2.285 54.378 52.037 0.093 0.000 0.629 462 A CB -2.191 16.845 19.000 0.059 0.000 0.826 462 A HN 0.674 nan 8.150 nan 0.000 0.447 463 P HA -0.018 nan 4.420 nan 0.000 0.221 463 P C 1.474 178.787 177.300 0.022 0.000 1.150 463 P CA 1.627 64.690 63.100 -0.062 0.000 0.800 463 P CB -0.103 31.491 31.700 -0.175 0.000 0.787 464 A N 0.246 123.112 122.820 0.077 0.000 1.873 464 A HA -0.088 4.231 4.320 -0.001 0.000 0.215 464 A C 2.393 180.109 177.584 0.220 0.000 1.186 464 A CA 1.617 53.734 52.037 0.133 0.000 0.616 464 A CB -1.613 17.483 19.000 0.159 0.000 0.823 464 A HN 0.051 nan 8.150 nan 0.000 0.442 465 V N -0.191 119.852 119.914 0.215 0.000 2.626 465 V HA -0.192 3.927 4.120 -0.001 0.000 0.252 465 V C 2.897 179.061 176.094 0.117 0.000 1.067 465 V CA 1.713 64.069 62.300 0.093 0.000 1.081 465 V CB -0.973 30.886 31.823 0.060 0.000 0.686 465 V HN 0.613 nan 8.190 nan 0.000 0.468 466 A N 0.008 122.896 122.820 0.114 0.000 1.898 466 A HA -0.127 4.192 4.320 -0.001 0.000 0.214 466 A C 2.402 180.053 177.584 0.111 0.000 1.183 466 A CA 1.996 54.097 52.037 0.107 0.000 0.622 466 A CB -0.744 18.298 19.000 0.069 0.000 0.824 466 A HN 0.493 nan 8.150 nan 0.000 0.444 467 T N 0.643 115.257 114.554 0.101 0.000 2.777 467 T HA 0.001 4.350 4.350 -0.001 0.000 0.266 467 T C 2.239 177.062 174.700 0.205 0.000 1.040 467 T CA 1.464 63.645 62.100 0.134 0.000 1.141 467 T CB -0.568 68.365 68.868 0.108 0.000 0.868 467 T HN 0.564 nan 8.240 nan 0.000 0.444 468 A N 2.066 124.958 122.820 0.121 0.000 1.903 468 A HA -0.219 4.100 4.320 -0.001 0.000 0.219 468 A C 2.291 180.055 177.584 0.301 0.000 1.191 468 A CA 1.818 53.875 52.037 0.034 0.000 0.638 468 A CB -0.580 18.145 19.000 -0.457 0.000 0.823 468 A HN 0.406 nan 8.150 nan 0.000 0.451 469 K N -0.902 119.713 120.400 0.358 0.000 2.209 469 K HA 0.000 4.320 4.320 -0.001 0.000 0.204 469 K C 1.849 178.603 176.600 0.258 0.000 1.048 469 K CA 1.050 57.566 56.287 0.381 0.000 0.940 469 K CB -0.243 32.419 32.500 0.269 0.000 0.729 469 K HN 0.531 nan 8.250 nan 0.000 0.451 470 L N -0.488 120.868 121.223 0.221 0.000 2.084 470 L HA -0.102 4.237 4.340 -0.001 0.000 0.202 470 L C 2.381 179.439 176.870 0.314 0.000 1.074 470 L CA 0.768 55.733 54.840 0.209 0.000 0.757 470 L CB -0.573 41.544 42.059 0.097 0.000 0.918 470 L HN 0.271 nan 8.230 nan 0.000 0.444 471 H N 0.046 119.268 119.070 0.254 0.000 2.352 471 H HA -0.149 4.406 4.556 -0.001 0.000 0.299 471 H C 2.250 177.792 175.328 0.355 0.000 1.097 471 H CA 1.530 57.784 56.048 0.342 0.000 1.311 471 H CB -0.039 29.804 29.762 0.136 0.000 1.377 471 H HN 0.371 nan 8.280 nan 0.000 0.504 472 A N 1.323 124.383 122.820 0.401 0.000 1.883 472 A HA -0.198 4.121 4.320 -0.001 0.000 0.217 472 A C 2.097 179.802 177.584 0.202 0.000 1.186 472 A CA 2.089 54.307 52.037 0.302 0.000 0.624 472 A CB -0.321 18.893 19.000 0.357 0.000 0.822 472 A HN 0.291 nan 8.150 nan 0.000 0.444 473 D N -1.714 118.784 120.400 0.162 0.000 2.149 473 D HA -0.073 4.566 4.640 -0.001 0.000 0.201 473 D C 1.352 177.589 176.300 -0.106 0.000 0.972 473 D CA 1.041 55.036 54.000 -0.008 0.000 0.835 473 D CB -0.337 40.411 40.800 -0.087 0.000 0.966 473 D HN 0.644 nan 8.370 nan 0.000 0.476 474 Y N 0.545 120.929 120.300 0.140 0.000 2.578 474 Y HA 0.003 4.552 4.550 -0.001 0.000 0.297 474 Y C 0.717 176.651 175.900 0.057 0.000 1.176 474 Y CA 0.414 58.548 58.100 0.056 0.000 1.315 474 Y CB 0.177 38.621 38.460 -0.026 0.000 1.031 474 Y HN -0.074 nan 8.280 nan 0.000 0.524 475 Q N -0.980 118.950 119.800 0.218 0.000 2.480 475 Q HA -0.160 4.179 4.340 -0.001 0.000 0.259 475 Q C -0.272 175.835 176.000 0.178 0.000 0.810 475 Q CA 0.375 56.271 55.803 0.154 0.000 1.175 475 Q CB -1.943 26.847 28.738 0.086 0.000 1.300 475 Q HN 0.232 nan 8.270 nan 0.000 0.675 476 S N 2.559 118.421 115.700 0.270 0.000 2.548 476 S HA 0.350 4.819 4.470 -0.001 0.000 0.277 476 S C -1.845 172.881 174.600 0.209 0.000 1.315 476 S CA -0.766 57.591 58.200 0.261 0.000 1.050 476 S CB 0.778 64.201 63.200 0.370 0.000 0.918 476 S HN 0.087 nan 8.310 nan 0.000 0.497 477 P HA 0.249 nan 4.420 nan 0.000 0.281 477 P C -1.139 176.202 177.300 0.068 0.000 1.252 477 P CA -0.312 62.836 63.100 0.080 0.000 0.778 477 P CB 0.568 32.315 31.700 0.078 0.000 0.895 478 V N 5.172 125.072 119.914 -0.022 0.000 2.448 478 V HA 0.319 4.439 4.120 -0.001 0.000 0.295 478 V C -0.536 175.455 176.094 -0.172 0.000 1.025 478 V CA -0.573 61.739 62.300 0.019 0.000 0.859 478 V CB 1.008 32.938 31.823 0.178 0.000 0.988 478 V HN 0.385 nan 8.190 nan 0.000 0.431 479 Y N 4.065 124.356 120.300 -0.015 0.000 2.328 479 Y HA 0.568 5.117 4.550 -0.001 0.000 0.337 479 Y C -0.420 175.591 175.900 0.184 0.000 0.966 479 Y CA -0.490 57.562 58.100 -0.081 0.000 1.136 479 Y CB 1.716 39.731 38.460 -0.742 0.000 1.170 479 Y HN 0.619 nan 8.280 nan 0.000 0.470 480 F N 5.908 126.173 119.950 0.525 0.000 2.427 480 F HA 0.432 4.958 4.527 -0.001 0.000 0.346 480 F C -0.846 175.297 175.800 0.571 0.000 1.120 480 F CA -1.262 56.939 58.000 0.334 0.000 1.033 480 F CB 0.498 39.557 39.000 0.098 0.000 1.126 480 F HN 0.440 nan 8.300 nan 0.000 0.462 481 Y N 2.072 122.477 120.300 0.175 0.000 2.549 481 Y HA 0.782 5.331 4.550 -0.001 0.000 0.339 481 Y C -1.151 174.816 175.900 0.112 0.000 1.053 481 Y CA -1.496 56.693 58.100 0.148 0.000 1.105 481 Y CB 1.507 40.062 38.460 0.157 0.000 1.258 481 Y HN 0.441 nan 8.280 nan 0.000 0.478 482 T N 4.254 119.040 114.554 0.387 0.000 2.937 482 T HA 0.362 4.711 4.350 -0.001 0.000 0.297 482 T C -1.988 172.912 174.700 0.334 0.000 0.991 482 T CA -0.405 61.829 62.100 0.223 0.000 0.990 482 T CB 0.145 68.981 68.868 -0.053 0.000 0.991 482 T HN 0.536 nan 8.240 nan 0.000 0.440 483 F N 4.398 124.528 119.950 0.300 0.000 2.371 483 F HA 0.471 4.997 4.527 -0.001 0.000 0.363 483 F C -0.767 175.181 175.800 0.246 0.000 1.122 483 F CA -0.755 57.382 58.000 0.229 0.000 1.129 483 F CB 0.566 39.707 39.000 0.235 0.000 1.173 483 F HN 0.576 nan 8.300 nan 0.000 0.489 484 Y N 5.096 125.183 120.300 -0.354 0.000 2.553 484 Y HA 0.295 4.844 4.550 -0.001 0.000 0.369 484 Y C -0.738 175.120 175.900 -0.071 0.000 0.964 484 Y CA -0.729 57.292 58.100 -0.132 0.000 1.156 484 Y CB -0.118 38.262 38.460 -0.133 0.000 1.218 484 Y HN 0.632 nan 8.280 nan 0.000 0.630 485 H N 0.598 119.590 119.070 -0.130 0.000 3.141 485 H HA 0.253 4.808 4.556 -0.001 0.000 0.309 485 H C -1.568 173.857 175.328 0.162 0.000 1.083 485 H CA -0.718 55.271 56.048 -0.097 0.000 1.466 485 H CB 0.568 30.095 29.762 -0.392 0.000 2.095 485 H HN 0.379 nan 8.280 nan 0.000 0.467 486 H N 2.910 121.881 119.070 -0.164 0.000 2.622 486 H HA 0.451 5.006 4.556 -0.001 0.000 0.363 486 H C -0.491 174.825 175.328 -0.020 0.000 1.151 486 H CA -0.868 55.247 56.048 0.112 0.000 1.184 486 H CB 0.982 30.806 29.762 0.104 0.000 1.643 486 H HN 0.635 nan 8.280 nan 0.000 0.531 487 c N 3.074 121.799 118.600 0.209 0.000 2.593 487 c HA 0.123 4.692 4.570 -0.001 0.000 0.409 487 c C 0.657 174.694 174.090 -0.089 0.000 1.304 487 c CA -0.195 56.148 56.329 0.024 0.000 2.007 487 c CB -0.605 41.952 42.510 0.077 0.000 2.614 487 c HN 0.852 nan 8.230 nan 0.000 0.585 488 Q N 3.784 123.465 119.800 -0.198 0.000 2.348 488 Q HA 0.477 4.817 4.340 -0.001 0.000 0.251 488 Q C 0.175 176.144 176.000 -0.051 0.000 1.113 488 Q CA 0.307 56.065 55.803 -0.074 0.000 0.902 488 Q CB 0.443 29.121 28.738 -0.101 0.000 1.333 488 Q HN 0.911 nan 8.270 nan 0.000 0.457 489 A N 4.274 127.106 122.820 0.020 0.000 2.371 489 A HA 0.243 4.562 4.320 -0.001 0.000 0.257 489 A C -0.078 177.493 177.584 -0.021 0.000 1.089 489 A CA -0.548 51.480 52.037 -0.015 0.000 0.794 489 A CB 0.329 19.354 19.000 0.042 0.000 1.029 489 A HN 0.689 nan 8.150 nan 0.000 0.488 490 E N 0.639 120.816 120.200 -0.039 0.000 2.502 490 E HA 0.220 4.569 4.350 -0.001 0.000 0.261 490 E C 1.036 177.618 176.600 -0.030 0.000 0.974 490 E CA 1.608 57.987 56.400 -0.036 0.000 0.936 490 E CB 0.224 29.902 29.700 -0.037 0.000 0.926 490 E HN 1.462 nan 8.360 nan 0.000 0.459 491 G N 2.974 111.751 108.800 -0.038 0.000 2.351 491 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.297 491 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.297 491 G C 0.078 174.941 174.900 -0.062 0.000 1.054 491 G CA 0.998 46.072 45.100 -0.045 0.000 1.123 491 G HN 0.625 nan 8.290 nan 0.000 0.512 492 R N -1.278 119.167 120.500 -0.091 0.000 2.752 492 R HA 0.774 5.113 4.340 -0.001 0.000 0.271 492 R C -3.107 173.036 176.300 -0.262 0.000 1.026 492 R CA -1.904 54.101 56.100 -0.159 0.000 0.901 492 R CB 0.512 30.738 30.300 -0.122 0.000 1.243 492 R HN 0.027 nan 8.270 nan 0.000 0.463 493 P HA 0.081 nan 4.420 nan 0.000 0.271 493 P C -0.612 176.382 177.300 -0.511 0.000 1.216 493 P CA -0.228 62.376 63.100 -0.827 0.000 0.776 493 P CB 0.677 31.205 31.700 -1.954 0.000 0.881 494 E N 1.643 121.667 120.200 -0.293 0.000 2.351 494 E HA 0.064 4.414 4.350 -0.001 0.000 0.236 494 E C -0.450 176.207 176.600 0.095 0.000 1.341 494 E CA -0.099 56.261 56.400 -0.065 0.000 1.579 494 E CB -0.705 29.006 29.700 0.018 0.000 1.393 494 E HN 0.484 nan 8.360 nan 0.000 0.438 495 W N -0.699 120.621 121.300 0.033 0.000 2.570 495 W HA 0.594 5.254 4.660 -0.001 0.000 0.410 495 W C -0.292 176.227 176.519 0.001 0.000 0.889 495 W CA -1.029 56.334 57.345 0.028 0.000 2.386 495 W CB -0.436 29.041 29.460 0.028 0.000 1.228 495 W HN 0.044 nan 8.180 nan 0.000 0.692 496 A N 2.092 124.803 122.820 -0.182 0.000 2.444 496 A HA 0.399 4.718 4.320 -0.001 0.000 0.332 496 A C -0.139 177.230 177.584 -0.358 0.000 1.430 496 A CA -0.256 51.571 52.037 -0.351 0.000 0.975 496 A CB -0.097 18.648 19.000 -0.424 0.000 1.147 496 A HN 0.225 nan 8.150 nan 0.000 0.524 497 D N 1.466 121.765 120.400 -0.168 0.000 2.411 497 D HA 0.436 5.075 4.640 -0.001 0.000 0.251 497 D C 0.760 176.893 176.300 -0.279 0.000 1.201 497 D CA 0.161 54.082 54.000 -0.132 0.000 0.996 497 D CB 0.884 41.667 40.800 -0.028 0.000 1.101 497 D HN 0.601 nan 8.370 nan 0.000 0.504 498 A N 0.209 122.979 122.820 -0.083 0.000 2.515 498 A HA 0.460 4.779 4.320 -0.001 0.000 0.263 498 A C 0.365 177.956 177.584 0.012 0.000 1.096 498 A CA 0.001 52.060 52.037 0.037 0.000 0.769 498 A CB -0.399 18.746 19.000 0.243 0.000 1.040 498 A HN 0.511 nan 8.150 nan 0.000 0.505 499 A N 2.484 125.310 122.820 0.010 0.000 2.257 499 A HA 0.509 4.828 4.320 -0.001 0.000 0.290 499 A C 0.528 178.136 177.584 0.039 0.000 1.201 499 A CA -0.493 51.554 52.037 0.016 0.000 0.863 499 A CB -0.049 18.966 19.000 0.024 0.000 1.256 499 A HN 0.983 nan 8.150 nan 0.000 0.506 500 H N -0.517 118.473 119.070 -0.133 0.000 2.886 500 H HA 0.289 4.844 4.556 -0.001 0.000 0.329 500 H C 1.335 176.679 175.328 0.027 0.000 1.044 500 H CA 1.482 57.411 56.048 -0.198 0.000 1.456 500 H CB 0.310 29.826 29.762 -0.411 0.000 1.464 500 H HN 1.302 nan 8.280 nan 0.000 0.573 501 G N 5.134 113.694 108.800 -0.400 0.000 2.179 501 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.260 501 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.260 501 G C 0.850 175.927 174.900 0.295 0.000 0.977 501 G CA 0.446 45.524 45.100 -0.036 0.000 0.641 501 G HN 0.669 nan 8.290 nan 0.000 0.533 502 D N 0.885 121.416 120.400 0.219 0.000 2.371 502 D HA 0.002 4.641 4.640 -0.001 0.000 0.221 502 D C 2.406 178.819 176.300 0.189 0.000 0.986 502 D CA 1.121 55.289 54.000 0.281 0.000 0.899 502 D CB 0.030 41.021 40.800 0.318 0.000 0.902 502 D HN 0.758 nan 8.370 nan 0.000 0.530 503 E N 0.710 120.885 120.200 -0.043 0.000 2.158 503 E HA -0.137 4.212 4.350 -0.001 0.000 0.191 503 E C 2.000 178.444 176.600 -0.261 0.000 0.982 503 E CA 0.121 56.269 56.400 -0.420 0.000 0.823 503 E CB -0.535 28.721 29.700 -0.740 0.000 0.766 503 E HN 0.142 nan 8.360 nan 0.000 0.468 504 L N 1.547 122.681 121.223 -0.149 0.000 1.978 504 L HA -0.151 4.188 4.340 -0.001 0.000 0.218 504 L C -0.274 176.329 176.870 -0.445 0.000 1.075 504 L CA 2.282 57.018 54.840 -0.174 0.000 0.767 504 L CB -2.542 39.502 42.059 -0.026 0.000 0.890 504 L HN 0.148 nan 8.230 nan 0.000 0.434 505 P HA -0.214 nan 4.420 nan 0.000 0.216 505 P C 1.626 178.469 177.300 -0.762 0.000 1.154 505 P CA 1.599 64.036 63.100 -1.104 0.000 0.865 505 P CB -0.153 30.888 31.700 -1.098 0.000 0.789 506 Y N -0.987 119.064 120.300 -0.415 0.000 2.114 506 Y HA -0.170 4.379 4.550 -0.001 0.000 0.284 506 Y C 2.451 178.054 175.900 -0.496 0.000 1.143 506 Y CA 0.770 58.635 58.100 -0.392 0.000 1.135 506 Y CB -1.575 36.743 38.460 -0.237 0.000 0.980 506 Y HN -0.268 nan 8.280 nan 0.000 0.499 507 V N -0.718 118.925 119.914 -0.452 0.000 2.324 507 V HA -0.324 3.795 4.120 -0.001 0.000 0.250 507 V C 1.675 177.405 176.094 -0.606 0.000 1.060 507 V CA 1.851 63.737 62.300 -0.689 0.000 1.042 507 V CB -0.789 30.602 31.823 -0.719 0.000 0.650 507 V HN 0.327 nan 8.190 nan 0.000 0.450 508 F N 0.384 120.094 119.950 -0.401 0.000 2.797 508 F HA 0.390 4.916 4.527 -0.001 0.000 0.302 508 F C 1.792 177.383 175.800 -0.349 0.000 1.130 508 F CA 0.679 58.475 58.000 -0.341 0.000 1.387 508 F CB -0.218 38.585 39.000 -0.328 0.000 1.107 508 F HN 0.290 nan 8.300 nan 0.000 0.577 509 G N 0.562 109.189 108.800 -0.288 0.000 2.246 509 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.273 509 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.273 509 G C 0.931 175.620 174.900 -0.352 0.000 1.055 509 G CA 0.380 45.276 45.100 -0.340 0.000 0.851 509 G HN 0.234 nan 8.290 nan 0.000 0.500 510 V N 0.420 120.059 119.914 -0.458 0.000 2.287 510 V HA -0.154 3.965 4.120 -0.001 0.000 0.248 510 V C 0.688 176.395 176.094 -0.645 0.000 1.053 510 V CA 2.486 64.495 62.300 -0.486 0.000 1.027 510 V CB -0.917 30.576 31.823 -0.550 0.000 0.646 510 V HN 0.448 nan 8.190 nan 0.000 0.447 511 P HA -0.097 nan 4.420 nan 0.000 0.231 511 P C 1.638 178.720 177.300 -0.362 0.000 1.158 511 P CA 1.333 63.848 63.100 -0.976 0.000 0.763 511 P CB -0.097 31.058 31.700 -0.909 0.000 0.805 512 M N -1.341 118.081 119.600 -0.297 0.000 2.394 512 M HA -0.003 4.476 4.480 -0.001 0.000 0.266 512 M C 1.266 177.510 176.300 -0.094 0.000 1.098 512 M CA 1.288 56.494 55.300 -0.156 0.000 1.149 512 M CB 0.094 32.584 32.600 -0.183 0.000 1.369 512 M HN -0.123 nan 8.290 nan 0.000 0.450 513 V N -2.616 117.234 119.914 -0.106 0.000 3.176 513 V HA 0.619 4.738 4.120 -0.001 0.000 0.332 513 V C 0.384 176.466 176.094 -0.021 0.000 1.414 513 V CA -0.037 62.234 62.300 -0.050 0.000 1.133 513 V CB -0.812 30.985 31.823 -0.042 0.000 1.088 513 V HN 0.516 nan 8.190 nan 0.000 0.473 514 G N 0.179 108.971 108.800 -0.013 0.000 2.699 514 G HA2 0.353 4.312 3.960 -0.001 0.000 0.686 514 G HA3 0.353 4.312 3.960 -0.001 0.000 0.686 514 G C -0.024 174.954 174.900 0.130 0.000 1.301 514 G CA -0.218 44.924 45.100 0.070 0.000 0.816 514 G HN 1.747 nan 8.290 nan 0.000 0.595 515 A N 0.589 123.553 122.820 0.240 0.000 2.483 515 A HA 0.776 5.095 4.320 -0.001 0.000 0.238 515 A C 1.275 178.949 177.584 0.150 0.000 1.070 515 A CA 1.645 53.852 52.037 0.282 0.000 0.770 515 A CB 0.174 19.262 19.000 0.147 0.000 1.008 515 A HN 2.494 nan 8.150 nan 0.000 0.497 516 T N -1.542 113.108 114.554 0.160 0.000 2.819 516 T HA 0.476 4.826 4.350 -0.001 0.000 0.271 516 T C 0.632 175.352 174.700 0.034 0.000 0.986 516 T CA 0.207 62.355 62.100 0.080 0.000 0.989 516 T CB 0.878 69.784 68.868 0.063 0.000 1.396 516 T HN 0.617 nan 8.240 nan 0.000 0.597 517 D N 0.174 120.575 120.400 0.001 0.000 2.289 517 D HA -0.062 4.577 4.640 -0.001 0.000 0.207 517 D C 1.830 178.080 176.300 -0.084 0.000 0.966 517 D CA 0.596 54.587 54.000 -0.015 0.000 0.868 517 D CB -0.269 40.548 40.800 0.029 0.000 0.943 517 D HN 0.493 nan 8.370 nan 0.000 0.514 518 L N -2.954 118.127 121.223 -0.236 0.000 2.590 518 L HA 0.396 4.736 4.340 -0.001 0.000 0.227 518 L C 0.129 176.664 176.870 -0.558 0.000 1.099 518 L CA -0.084 54.517 54.840 -0.399 0.000 0.872 518 L CB -1.084 40.654 42.059 -0.534 0.000 1.088 518 L HN -0.209 nan 8.230 nan 0.000 0.479 519 F N 4.182 124.072 119.950 -0.100 0.000 2.389 519 F HA 0.435 4.962 4.527 -0.001 0.000 0.327 519 F C -2.103 173.681 175.800 -0.028 0.000 1.204 519 F CA -1.406 56.556 58.000 -0.064 0.000 1.209 519 F CB 1.218 40.170 39.000 -0.081 0.000 1.460 519 F HN -0.063 nan 8.300 nan 0.000 0.537 520 P HA 0.177 nan 4.420 nan 0.000 0.228 520 P C -0.406 176.825 177.300 -0.115 0.000 1.873 520 P CA -0.155 62.934 63.100 -0.019 0.000 1.033 520 P CB -0.243 31.445 31.700 -0.020 0.000 1.707 521 c N -2.245 116.180 118.600 -0.292 0.000 2.486 521 c HA 0.516 5.085 4.570 -0.001 0.000 0.348 521 c C 0.476 174.233 174.090 -0.555 0.000 1.203 521 c CA -1.321 54.769 56.329 -0.398 0.000 1.911 521 c CB 0.010 42.284 42.510 -0.395 0.000 2.340 521 c HN 0.159 nan 8.230 nan 0.000 0.511 522 N N 0.639 119.128 118.700 -0.351 0.000 2.427 522 N HA 0.246 4.985 4.740 -0.001 0.000 0.269 522 N C -1.354 173.983 175.510 -0.288 0.000 1.235 522 N CA -0.005 52.902 53.050 -0.239 0.000 0.934 522 N CB 0.200 38.619 38.487 -0.114 0.000 1.121 522 N HN 0.518 nan 8.380 nan 0.000 0.480 523 F N 1.863 121.810 119.950 -0.005 0.000 2.404 523 F HA 0.155 4.681 4.527 -0.001 0.000 0.358 523 F C 1.090 176.899 175.800 0.014 0.000 1.120 523 F CA -0.872 57.129 58.000 0.002 0.000 1.144 523 F CB 0.643 39.624 39.000 -0.031 0.000 1.133 523 F HN 0.289 nan 8.300 nan 0.000 0.495 524 S N 2.708 118.538 115.700 0.216 0.000 2.632 524 S HA 0.207 4.676 4.470 -0.001 0.000 0.267 524 S C 1.270 175.944 174.600 0.124 0.000 1.276 524 S CA -0.796 57.484 58.200 0.133 0.000 0.998 524 S CB 0.994 64.261 63.200 0.112 0.000 0.953 524 S HN 0.758 nan 8.310 nan 0.000 0.547 525 K N 1.088 121.536 120.400 0.080 0.000 2.173 525 K HA -0.260 4.059 4.320 -0.001 0.000 0.207 525 K C 1.407 178.049 176.600 0.070 0.000 1.046 525 K CA 2.027 58.353 56.287 0.065 0.000 0.929 525 K CB -0.578 31.960 32.500 0.063 0.000 0.720 525 K HN 0.516 nan 8.250 nan 0.000 0.453 526 N N 0.998 119.753 118.700 0.092 0.000 2.216 526 N HA -0.093 4.646 4.740 -0.001 0.000 0.183 526 N C 1.259 176.817 175.510 0.080 0.000 1.017 526 N CA 1.212 54.309 53.050 0.078 0.000 0.861 526 N CB 0.048 38.597 38.487 0.103 0.000 0.986 526 N HN 0.219 nan 8.380 nan 0.000 0.428 527 D N -0.687 119.818 120.400 0.175 0.000 2.269 527 D HA -0.043 4.596 4.640 -0.001 0.000 0.208 527 D C 1.719 178.106 176.300 0.145 0.000 0.963 527 D CA 0.440 54.617 54.000 0.294 0.000 0.864 527 D CB 0.277 41.392 40.800 0.524 0.000 0.936 527 D HN 0.086 nan 8.370 nan 0.000 0.505 528 V N 1.638 121.581 119.914 0.047 0.000 2.283 528 V HA -0.224 3.895 4.120 -0.001 0.000 0.243 528 V C 2.557 178.607 176.094 -0.073 0.000 1.039 528 V CA 1.343 63.619 62.300 -0.039 0.000 1.016 528 V CB -0.477 31.334 31.823 -0.020 0.000 0.650 528 V HN 0.212 nan 8.190 nan 0.000 0.449 529 M N -0.011 119.533 119.600 -0.092 0.000 2.082 529 M HA -0.258 4.222 4.480 -0.001 0.000 0.258 529 M C 2.241 178.448 176.300 -0.155 0.000 1.071 529 M CA 2.446 57.662 55.300 -0.141 0.000 1.103 529 M CB -0.442 32.084 32.600 -0.123 0.000 1.307 529 M HN 0.354 nan 8.290 nan 0.000 0.409 530 L N 0.374 121.499 121.223 -0.162 0.000 2.129 530 L HA -0.185 4.154 4.340 -0.001 0.000 0.212 530 L C 2.529 179.249 176.870 -0.249 0.000 1.087 530 L CA 2.371 57.044 54.840 -0.279 0.000 0.757 530 L CB -0.815 40.987 42.059 -0.429 0.000 0.896 530 L HN 0.549 nan 8.230 nan 0.000 0.434 531 S N -1.080 114.556 115.700 -0.107 0.000 2.371 531 S HA -0.094 4.375 4.470 -0.001 0.000 0.224 531 S C 2.186 176.620 174.600 -0.276 0.000 1.029 531 S CA 0.971 59.094 58.200 -0.128 0.000 0.978 531 S CB -0.405 62.707 63.200 -0.148 0.000 0.833 531 S HN 0.653 nan 8.310 nan 0.000 0.466 532 A N 0.961 123.620 122.820 -0.269 0.000 1.917 532 A HA -0.057 4.262 4.320 -0.001 0.000 0.219 532 A C 2.312 179.814 177.584 -0.138 0.000 1.182 532 A CA 1.964 53.835 52.037 -0.276 0.000 0.633 532 A CB -1.111 17.924 19.000 0.058 0.000 0.819 532 A HN 0.459 nan 8.150 nan 0.000 0.448 533 V N 0.169 119.928 119.914 -0.257 0.000 2.295 533 V HA -0.249 3.871 4.120 -0.001 0.000 0.246 533 V C 2.771 178.652 176.094 -0.354 0.000 1.049 533 V CA 2.074 64.102 62.300 -0.452 0.000 1.024 533 V CB -0.924 30.393 31.823 -0.843 0.000 0.648 533 V HN 0.627 nan 8.190 nan 0.000 0.447 534 V N -2.297 117.453 119.914 -0.275 0.000 2.427 534 V HA -0.247 3.872 4.120 -0.001 0.000 0.248 534 V C 2.172 178.142 176.094 -0.207 0.000 1.051 534 V CA 2.118 64.284 62.300 -0.223 0.000 1.048 534 V CB -0.775 30.737 31.823 -0.518 0.000 0.666 534 V HN 0.443 nan 8.190 nan 0.000 0.456 535 M N 0.484 119.951 119.600 -0.222 0.000 2.132 535 M HA -0.104 4.375 4.480 -0.001 0.000 0.263 535 M C 2.377 178.757 176.300 0.133 0.000 1.065 535 M CA 2.245 57.484 55.300 -0.101 0.000 1.122 535 M CB -0.579 31.943 32.600 -0.131 0.000 1.365 535 M HN 0.396 nan 8.290 nan 0.000 0.411 536 T N -0.646 114.004 114.554 0.161 0.000 3.160 536 T HA -0.058 4.292 4.350 -0.001 0.000 0.257 536 T C 1.075 175.809 174.700 0.056 0.000 1.147 536 T CA 0.786 62.946 62.100 0.101 0.000 1.064 536 T CB -0.046 68.865 68.868 0.072 0.000 0.949 536 T HN 0.229 nan 8.240 nan 0.000 0.526 537 Y N -0.619 119.798 120.300 0.194 0.000 2.163 537 Y HA 0.172 4.721 4.550 -0.001 0.000 0.288 537 Y C 2.239 178.320 175.900 0.301 0.000 1.112 537 Y CA -0.068 58.206 58.100 0.291 0.000 1.104 537 Y CB -0.781 37.979 38.460 0.501 0.000 1.016 537 Y HN 0.283 nan 8.280 nan 0.000 0.497 538 W N 0.951 122.321 121.300 0.117 0.000 2.290 538 W HA -0.345 4.314 4.660 -0.001 0.000 0.328 538 W C 2.557 179.085 176.519 0.014 0.000 1.272 538 W CA 2.435 59.767 57.345 -0.023 0.000 1.262 538 W CB -0.907 28.439 29.460 -0.190 0.000 1.151 538 W HN 0.252 nan 8.180 nan 0.000 0.473 539 T N -1.345 113.340 114.554 0.218 0.000 2.708 539 T HA -0.235 4.115 4.350 -0.001 0.000 0.266 539 T C 1.246 175.981 174.700 0.060 0.000 1.037 539 T CA 1.662 63.812 62.100 0.082 0.000 1.146 539 T CB -0.929 67.960 68.868 0.036 0.000 0.865 539 T HN -0.050 nan 8.240 nan 0.000 0.435 540 N N 0.717 119.469 118.700 0.087 0.000 2.588 540 N HA 0.060 4.799 4.740 -0.001 0.000 0.190 540 N C 1.020 176.553 175.510 0.038 0.000 1.094 540 N CA 0.558 53.639 53.050 0.053 0.000 0.921 540 N CB -0.511 38.025 38.487 0.081 0.000 0.959 540 N HN 0.607 nan 8.380 nan 0.000 0.448 541 F N 0.628 120.516 119.950 -0.104 0.000 2.243 541 F HA 0.293 4.819 4.527 -0.002 0.000 0.287 541 F C 2.051 177.773 175.800 -0.131 0.000 1.067 541 F CA 0.555 58.442 58.000 -0.189 0.000 1.304 541 F CB -0.473 38.340 39.000 -0.311 0.000 1.087 541 F HN -0.017 nan 8.300 nan 0.000 0.513 542 A N 0.575 123.316 122.820 -0.132 0.000 2.070 542 A HA -0.154 4.165 4.320 -0.001 0.000 0.220 542 A C 2.121 179.599 177.584 -0.176 0.000 1.159 542 A CA 1.686 53.610 52.037 -0.190 0.000 0.656 542 A CB -0.661 18.308 19.000 -0.051 0.000 0.800 542 A HN 0.499 nan 8.150 nan 0.000 0.453 543 K N -0.993 119.328 120.400 -0.132 0.000 2.005 543 K HA -0.047 4.272 4.320 -0.001 0.000 0.206 543 K C 1.444 177.962 176.600 -0.137 0.000 1.044 543 K CA 1.710 57.936 56.287 -0.103 0.000 0.942 543 K CB -0.126 32.337 32.500 -0.062 0.000 0.727 543 K HN 0.600 nan 8.250 nan 0.000 0.439 544 T N -3.256 111.199 114.554 -0.165 0.000 3.145 544 T HA 0.278 4.627 4.350 -0.001 0.000 0.281 544 T C 0.946 175.523 174.700 -0.205 0.000 1.003 544 T CA 0.068 62.080 62.100 -0.146 0.000 0.901 544 T CB 0.999 69.821 68.868 -0.077 0.000 1.112 544 T HN 0.356 nan 8.240 nan 0.000 0.535 545 G N 1.750 110.288 108.800 -0.437 0.000 2.203 545 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.263 545 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.263 545 G C -0.241 174.572 174.900 -0.146 0.000 1.012 545 G CA 0.368 45.130 45.100 -0.563 0.000 0.749 545 G HN 0.847 nan 8.290 nan 0.000 0.512 546 D N -1.227 119.071 120.400 -0.169 0.000 2.318 546 D HA 0.352 4.991 4.640 -0.001 0.000 0.233 546 D C -0.978 175.144 176.300 -0.296 0.000 1.348 546 D CA -1.266 52.554 54.000 -0.300 0.000 0.983 546 D CB 1.209 41.974 40.800 -0.058 0.000 1.416 546 D HN -0.004 nan 8.370 nan 0.000 0.558 547 P HA -0.123 nan 4.420 nan 0.000 0.222 547 P C 0.172 177.582 177.300 0.183 0.000 1.142 547 P CA 0.867 63.895 63.100 -0.119 0.000 0.788 547 P CB 0.022 31.490 31.700 -0.388 0.000 0.767 548 N N -0.877 117.888 118.700 0.108 0.000 2.327 548 N HA 0.086 4.825 4.740 -0.001 0.000 0.231 548 N C 0.583 176.151 175.510 0.097 0.000 1.130 548 N CA -0.207 52.960 53.050 0.196 0.000 0.845 548 N CB 0.297 38.939 38.487 0.258 0.000 1.073 548 N HN 0.312 nan 8.380 nan 0.000 0.496 549 Q N 0.190 120.019 119.800 0.049 0.000 2.418 549 Q HA 0.328 4.667 4.340 -0.001 0.000 0.276 549 Q C -1.743 174.261 176.000 0.008 0.000 1.081 549 Q CA -2.030 53.787 55.803 0.022 0.000 0.864 549 Q CB 2.067 30.805 28.738 0.001 0.000 1.384 549 Q HN -0.181 nan 8.270 nan 0.000 0.467 550 P HA -0.343 nan 4.420 nan 0.000 0.256 550 P C 0.105 177.398 177.300 -0.011 0.000 0.769 550 P CA 1.485 64.579 63.100 -0.010 0.000 1.071 550 P CB -0.749 30.936 31.700 -0.024 0.000 0.817 551 V N 2.250 122.145 119.914 -0.031 0.000 2.557 551 V HA 0.098 4.217 4.120 -0.001 0.000 0.301 551 V C -1.731 174.346 176.094 -0.028 0.000 1.026 551 V CA -0.919 61.353 62.300 -0.046 0.000 1.137 551 V CB -0.202 31.562 31.823 -0.098 0.000 0.917 551 V HN 0.161 nan 8.190 nan 0.000 0.484 552 P HA 0.141 nan 4.420 nan 0.000 0.274 552 P C -1.009 176.283 177.300 -0.014 0.000 1.260 552 P CA -0.289 62.812 63.100 0.002 0.000 0.793 552 P CB 0.494 32.202 31.700 0.014 0.000 1.048 553 Q N 1.098 120.893 119.800 -0.008 0.000 2.307 553 Q HA 0.234 4.573 4.340 -0.001 0.000 0.259 553 Q C -0.708 175.307 176.000 0.024 0.000 0.998 553 Q CA 0.756 56.543 55.803 -0.026 0.000 0.923 553 Q CB 0.069 28.788 28.738 -0.031 0.000 1.196 553 Q HN 0.468 nan 8.270 nan 0.000 0.416 554 D N 0.945 121.379 120.400 0.056 0.000 2.613 554 D HA 0.125 4.765 4.640 -0.001 0.000 0.230 554 D C -0.495 175.914 176.300 0.181 0.000 1.365 554 D CA -0.379 53.678 54.000 0.095 0.000 0.976 554 D CB 0.980 41.839 40.800 0.098 0.000 1.415 554 D HN 0.378 nan 8.370 nan 0.000 0.589 555 T N 0.612 115.183 114.554 0.029 0.000 3.308 555 T HA 0.275 4.624 4.350 -0.001 0.000 0.270 555 T C 0.746 175.253 174.700 -0.323 0.000 0.992 555 T CA -0.579 61.373 62.100 -0.247 0.000 0.931 555 T CB 0.077 68.743 68.868 -0.338 0.000 1.142 555 T HN 0.250 nan 8.240 nan 0.000 0.525 556 K N 0.766 121.134 120.400 -0.053 0.000 2.505 556 K HA 0.215 4.535 4.320 -0.001 0.000 0.192 556 K C 0.696 177.325 176.600 0.049 0.000 1.025 556 K CA 0.255 56.529 56.287 -0.022 0.000 1.086 556 K CB -0.334 32.186 32.500 0.033 0.000 0.840 556 K HN 0.719 nan 8.250 nan 0.000 0.514 557 F N -0.821 119.150 119.950 0.035 0.000 2.776 557 F HA 0.284 4.810 4.527 -0.001 0.000 0.300 557 F C 0.220 176.049 175.800 0.049 0.000 1.116 557 F CA -0.583 57.442 58.000 0.040 0.000 1.375 557 F CB 0.146 39.173 39.000 0.045 0.000 1.109 557 F HN -0.272 nan 8.300 nan 0.000 0.585 558 I N 1.627 121.905 120.570 -0.487 0.000 2.693 558 I HA 0.210 4.379 4.170 -0.001 0.000 0.303 558 I C 0.399 176.482 176.117 -0.057 0.000 1.025 558 I CA -1.265 59.909 61.300 -0.211 0.000 1.086 558 I CB 1.058 38.889 38.000 -0.282 0.000 1.268 558 I HN 0.258 nan 8.210 nan 0.000 0.440 559 H N 0.771 119.777 119.070 -0.107 0.000 3.044 559 H HA 0.028 4.584 4.556 -0.001 0.000 0.356 559 H C 0.398 175.687 175.328 -0.065 0.000 1.134 559 H CA -0.124 55.886 56.048 -0.063 0.000 1.387 559 H CB -0.005 29.733 29.762 -0.040 0.000 1.325 559 H HN 0.639 nan 8.280 nan 0.000 0.609 560 T N 0.339 114.820 114.554 -0.121 0.000 4.647 560 T HA 0.089 4.438 4.350 -0.001 0.000 0.224 560 T C 0.102 174.659 174.700 -0.239 0.000 0.928 560 T CA -0.740 61.268 62.100 -0.153 0.000 0.969 560 T CB -0.646 68.187 68.868 -0.058 0.000 1.425 560 T HN 0.494 nan 8.240 nan 0.000 1.045 561 K N 3.004 123.158 120.400 -0.410 0.000 2.316 561 K HA 0.262 4.581 4.320 -0.001 0.000 0.289 561 K C -2.303 174.196 176.600 -0.169 0.000 1.070 561 K CA -1.812 54.298 56.287 -0.295 0.000 0.928 561 K CB 0.484 32.772 32.500 -0.354 0.000 1.039 561 K HN 0.281 nan 8.250 nan 0.000 0.480 562 P HA -0.136 nan 4.420 nan 0.000 0.261 562 P C -0.546 176.724 177.300 -0.050 0.000 1.165 562 P CA 0.203 63.264 63.100 -0.065 0.000 0.759 562 P CB 0.291 31.961 31.700 -0.049 0.000 0.772 563 N N 3.633 122.318 118.700 -0.026 0.000 2.406 563 N HA -0.015 4.725 4.740 -0.001 0.000 0.265 563 N C 1.216 176.754 175.510 0.046 0.000 1.203 563 N CA 0.069 53.131 53.050 0.020 0.000 0.945 563 N CB 0.162 38.668 38.487 0.031 0.000 1.165 563 N HN 0.127 nan 8.380 nan 0.000 0.485 564 R N 2.689 123.215 120.500 0.044 0.000 2.105 564 R HA -0.129 4.210 4.340 -0.001 0.000 0.239 564 R C 0.978 177.199 176.300 -0.131 0.000 1.135 564 R CA 1.284 57.330 56.100 -0.090 0.000 0.967 564 R CB -0.422 29.745 30.300 -0.221 0.000 0.861 564 R HN 0.572 nan 8.270 nan 0.000 0.442 565 F N 0.343 120.291 119.950 -0.003 0.000 2.710 565 F HA 0.014 4.540 4.527 -0.001 0.000 0.298 565 F C 2.163 177.998 175.800 0.057 0.000 1.137 565 F CA 0.369 58.397 58.000 0.045 0.000 1.444 565 F CB -0.083 38.944 39.000 0.046 0.000 1.111 565 F HN -0.022 nan 8.300 nan 0.000 0.580 566 E N 0.627 120.930 120.200 0.170 0.000 2.347 566 E HA -0.125 4.224 4.350 -0.001 0.000 0.196 566 E C 1.887 178.541 176.600 0.090 0.000 1.008 566 E CA 0.865 57.334 56.400 0.115 0.000 0.852 566 E CB -0.146 29.597 29.700 0.073 0.000 0.783 566 E HN 0.264 nan 8.360 nan 0.000 0.505 567 E N -0.109 120.127 120.200 0.059 0.000 2.106 567 E HA -0.064 4.286 4.350 -0.001 0.000 0.192 567 E C 0.691 177.329 176.600 0.063 0.000 0.984 567 E CA 0.872 57.293 56.400 0.036 0.000 0.806 567 E CB -0.251 29.443 29.700 -0.011 0.000 0.750 567 E HN 0.252 nan 8.360 nan 0.000 0.458 568 V N 0.185 120.156 119.914 0.094 0.000 2.406 568 V HA 0.336 4.456 4.120 -0.001 0.000 0.272 568 V C 0.175 176.399 176.094 0.218 0.000 1.043 568 V CA -0.799 61.572 62.300 0.120 0.000 0.915 568 V CB 1.421 33.286 31.823 0.070 0.000 0.988 568 V HN -0.110 nan 8.190 nan 0.000 0.466 569 V N 7.507 127.537 119.914 0.193 0.000 2.407 569 V HA 0.460 4.579 4.120 -0.001 0.000 0.278 569 V C -0.642 175.650 176.094 0.329 0.000 1.037 569 V CA -0.542 61.909 62.300 0.252 0.000 0.900 569 V CB 1.145 33.080 31.823 0.187 0.000 0.983 569 V HN 1.065 nan 8.190 nan 0.000 0.459 570 W N 7.068 128.469 121.300 0.169 0.000 2.317 570 W HA 0.541 5.200 4.660 -0.002 0.000 0.327 570 W C 0.033 176.719 176.519 0.279 0.000 1.036 570 W CA -1.029 56.419 57.345 0.172 0.000 1.419 570 W CB 0.493 30.001 29.460 0.080 0.000 1.253 570 W HN 0.681 nan 8.180 nan 0.000 0.392 571 S N 5.549 121.623 115.700 0.623 0.000 2.564 571 S HA 0.216 4.685 4.470 -0.001 0.000 0.278 571 S C 0.361 175.169 174.600 0.346 0.000 1.333 571 S CA -0.477 57.963 58.200 0.399 0.000 1.048 571 S CB 0.959 64.312 63.200 0.256 0.000 0.900 571 S HN 0.335 nan 8.310 nan 0.000 0.505 572 K N 1.001 121.417 120.400 0.027 0.000 2.397 572 K HA 0.078 4.397 4.320 -0.001 0.000 0.265 572 K C -0.490 176.140 176.600 0.049 0.000 0.982 572 K CA 0.101 56.202 56.287 -0.311 0.000 0.931 572 K CB 0.254 32.536 32.500 -0.363 0.000 0.943 572 K HN 0.554 nan 8.250 nan 0.000 0.501 573 F N 3.287 123.200 119.950 -0.061 0.000 2.385 573 F HA 0.183 4.709 4.527 -0.001 0.000 0.360 573 F C -0.360 175.463 175.800 0.038 0.000 1.122 573 F CA -0.932 57.112 58.000 0.074 0.000 1.090 573 F CB 0.381 39.490 39.000 0.181 0.000 1.150 573 F HN 0.551 nan 8.300 nan 0.000 0.472 574 N N 2.029 120.512 118.700 -0.361 0.000 2.443 574 N HA 0.226 4.965 4.740 -0.001 0.000 0.293 574 N C 0.435 175.612 175.510 -0.555 0.000 1.159 574 N CA -0.266 52.613 53.050 -0.285 0.000 0.904 574 N CB 1.365 39.769 38.487 -0.138 0.000 1.214 574 N HN 0.427 nan 8.380 nan 0.000 0.513 575 S N -0.267 115.287 115.700 -0.242 0.000 2.447 575 S HA -0.071 4.398 4.470 -0.001 0.000 0.233 575 S C 1.181 175.674 174.600 -0.179 0.000 1.006 575 S CA 0.754 58.850 58.200 -0.173 0.000 0.957 575 S CB -0.189 63.013 63.200 0.002 0.000 0.773 575 S HN 0.471 nan 8.310 nan 0.000 0.507 576 K N 2.104 122.403 120.400 -0.167 0.000 2.017 576 K HA 0.144 4.463 4.320 -0.001 0.000 0.207 576 K C 0.623 177.144 176.600 -0.131 0.000 1.035 576 K CA 1.208 57.427 56.287 -0.114 0.000 0.947 576 K CB -0.343 32.111 32.500 -0.076 0.000 0.749 576 K HN 0.779 nan 8.250 nan 0.000 0.443 577 E N 1.440 121.552 120.200 -0.145 0.000 1.936 577 E HA 0.181 4.531 4.350 -0.001 0.000 0.267 577 E C -1.043 175.433 176.600 -0.207 0.000 1.076 577 E CA -0.202 56.126 56.400 -0.120 0.000 0.870 577 E CB 0.471 30.131 29.700 -0.065 0.000 1.093 577 E HN -0.091 nan 8.360 nan 0.000 0.411 578 K N 2.858 123.119 120.400 -0.233 0.000 2.199 578 K HA 0.011 4.330 4.320 -0.001 0.000 0.226 578 K C -0.287 176.327 176.600 0.023 0.000 1.237 578 K CA 0.058 56.096 56.287 -0.416 0.000 1.170 578 K CB -0.008 32.372 32.500 -0.201 0.000 1.418 578 K HN 0.466 nan 8.250 nan 0.000 0.255 579 Q N 2.088 121.919 119.800 0.052 0.000 2.296 579 Q HA 0.115 4.454 4.340 -0.001 0.000 0.262 579 Q C -0.934 175.393 176.000 0.545 0.000 0.981 579 Q CA -0.222 55.740 55.803 0.265 0.000 0.905 579 Q CB 0.446 29.284 28.738 0.167 0.000 1.186 579 Q HN 0.415 nan 8.270 nan 0.000 0.399 580 Y N 0.561 121.049 120.300 0.314 0.000 2.492 580 Y HA 0.480 5.029 4.550 -0.002 0.000 0.346 580 Y C -1.504 174.475 175.900 0.131 0.000 0.997 580 Y CA -1.593 56.738 58.100 0.386 0.000 1.025 580 Y CB 0.823 39.523 38.460 0.400 0.000 1.263 580 Y HN 0.415 nan 8.280 nan 0.000 0.454 581 L N 5.420 126.512 121.223 -0.219 0.000 2.319 581 L HA 0.205 4.544 4.340 -0.001 0.000 0.280 581 L C -0.294 176.389 176.870 -0.311 0.000 1.099 581 L CA -0.055 54.393 54.840 -0.652 0.000 0.828 581 L CB 0.490 41.527 42.059 -1.703 0.000 1.150 581 L HN 0.967 nan 8.230 nan 0.000 0.442 582 H N 7.165 126.010 119.070 -0.375 0.000 2.914 582 H HA 0.233 4.788 4.556 -0.001 0.000 0.264 582 H C -0.263 174.994 175.328 -0.120 0.000 1.433 582 H CA -0.511 55.422 56.048 -0.191 0.000 1.342 582 H CB 0.132 29.725 29.762 -0.281 0.000 1.582 582 H HN 0.536 nan 8.280 nan 0.000 0.525 583 I N 4.744 125.216 120.570 -0.163 0.000 2.505 583 I HA 0.187 4.356 4.170 -0.001 0.000 0.287 583 I C 1.067 177.023 176.117 -0.268 0.000 1.104 583 I CA 0.642 61.910 61.300 -0.053 0.000 1.387 583 I CB 0.670 38.678 38.000 0.013 0.000 1.404 583 I HN 0.659 nan 8.210 nan 0.000 0.528 584 G N 4.529 113.291 108.800 -0.063 0.000 2.428 584 G HA2 0.293 4.252 3.960 -0.001 0.000 0.305 584 G HA3 0.293 4.252 3.960 -0.001 0.000 0.305 584 G C -0.163 174.734 174.900 -0.004 0.000 1.260 584 G CA -0.649 44.381 45.100 -0.117 0.000 0.853 584 G HN 0.243 nan 8.290 nan 0.000 0.480 585 L N -0.080 121.156 121.223 0.021 0.000 2.027 585 L HA 0.242 4.581 4.340 -0.001 0.000 0.206 585 L C 1.487 178.330 176.870 -0.045 0.000 1.074 585 L CA 1.587 56.438 54.840 0.018 0.000 0.745 585 L CB -0.555 41.557 42.059 0.088 0.000 0.898 585 L HN 0.416 nan 8.230 nan 0.000 0.433 586 K N 1.223 121.598 120.400 -0.042 0.000 2.357 586 K HA 0.280 4.599 4.320 -0.001 0.000 0.251 586 K C -2.272 174.224 176.600 -0.172 0.000 1.069 586 K CA -1.709 54.505 56.287 -0.123 0.000 0.994 586 K CB 0.846 33.298 32.500 -0.080 0.000 1.411 586 K HN 0.049 nan 8.250 nan 0.000 0.450 587 P HA 0.208 nan 4.420 nan 0.000 0.276 587 P C -0.797 176.329 177.300 -0.289 0.000 1.244 587 P CA -0.474 62.402 63.100 -0.374 0.000 0.801 587 P CB 0.993 32.110 31.700 -0.971 0.000 1.006 588 R N -0.822 119.545 120.500 -0.222 0.000 2.712 588 R HA 0.538 4.878 4.340 -0.001 0.000 0.272 588 R C -1.826 174.335 176.300 -0.231 0.000 1.032 588 R CA -0.988 54.985 56.100 -0.212 0.000 0.874 588 R CB 0.388 30.564 30.300 -0.205 0.000 1.256 588 R HN 0.077 nan 8.270 nan 0.000 0.468 589 V N 2.372 122.169 119.914 -0.196 0.000 2.348 589 V HA 0.520 4.639 4.120 -0.001 0.000 0.270 589 V C 0.219 176.163 176.094 -0.251 0.000 1.037 589 V CA -0.640 61.523 62.300 -0.228 0.000 0.872 589 V CB 0.411 32.184 31.823 -0.084 0.000 1.002 589 V HN 0.641 nan 8.190 nan 0.000 0.464 590 R N 3.220 123.438 120.500 -0.470 0.000 2.843 590 R HA 0.711 5.050 4.340 -0.001 0.000 0.232 590 R C -1.096 175.143 176.300 -0.102 0.000 1.305 590 R CA -0.901 55.026 56.100 -0.288 0.000 1.096 590 R CB 1.255 31.424 30.300 -0.219 0.000 1.455 590 R HN 0.826 nan 8.270 nan 0.000 0.520 591 D N -0.088 120.418 120.400 0.176 0.000 2.732 591 D HA 0.148 4.787 4.640 -0.001 0.000 0.229 591 D C -0.698 175.798 176.300 0.326 0.000 1.152 591 D CA -0.721 53.444 54.000 0.274 0.000 0.854 591 D CB 1.315 42.184 40.800 0.114 0.000 1.590 591 D HN 0.429 nan 8.370 nan 0.000 0.468 592 N N 0.782 119.641 118.700 0.265 0.000 2.621 592 N HA -0.226 4.513 4.740 -0.001 0.000 0.269 592 N C -1.133 174.460 175.510 0.138 0.000 1.154 592 N CA 0.188 53.325 53.050 0.145 0.000 0.696 592 N CB -1.190 37.348 38.487 0.086 0.000 0.878 592 N HN 0.516 nan 8.380 nan 0.000 0.550 593 Y N 2.805 122.996 120.300 -0.182 0.000 2.569 593 Y HA 0.035 4.584 4.550 -0.001 0.000 0.332 593 Y C 1.196 177.054 175.900 -0.070 0.000 1.120 593 Y CA 0.297 58.219 58.100 -0.296 0.000 1.416 593 Y CB 0.449 38.421 38.460 -0.813 0.000 1.210 593 Y HN 0.282 nan 8.280 nan 0.000 0.528 594 R N 3.314 123.543 120.500 -0.451 0.000 3.422 594 R HA -0.258 4.081 4.340 -0.001 0.000 0.267 594 R C 1.181 177.424 176.300 -0.096 0.000 1.074 594 R CA 0.640 56.540 56.100 -0.332 0.000 0.718 594 R CB -2.173 27.856 30.300 -0.453 0.000 1.157 594 R HN 0.889 nan 8.270 nan 0.000 0.440 595 A N 1.002 123.798 122.820 -0.040 0.000 1.883 595 A HA -0.385 3.935 4.320 -0.001 0.000 0.222 595 A C 1.933 179.533 177.584 0.025 0.000 1.339 595 A CA 2.242 54.285 52.037 0.010 0.000 0.692 595 A CB -0.396 18.614 19.000 0.017 0.000 0.845 595 A HN 0.581 nan 8.150 nan 0.000 0.467 596 N N -0.073 118.631 118.700 0.007 0.000 2.002 596 N HA -0.163 4.577 4.740 -0.001 0.000 0.199 596 N C 1.611 177.151 175.510 0.049 0.000 1.060 596 N CA 1.776 54.832 53.050 0.011 0.000 0.867 596 N CB -0.411 38.051 38.487 -0.041 0.000 1.069 596 N HN 0.401 nan 8.380 nan 0.000 0.430 597 K N 0.641 121.054 120.400 0.021 0.000 2.160 597 K HA -0.048 4.271 4.320 -0.001 0.000 0.206 597 K C 2.095 178.879 176.600 0.307 0.000 1.047 597 K CA 0.452 56.800 56.287 0.102 0.000 0.930 597 K CB -0.795 31.776 32.500 0.119 0.000 0.720 597 K HN 0.093 nan 8.250 nan 0.000 0.450 598 V N 1.373 121.422 119.914 0.225 0.000 2.244 598 V HA -0.212 3.907 4.120 -0.001 0.000 0.244 598 V C 2.462 178.701 176.094 0.242 0.000 1.042 598 V CA 1.950 64.404 62.300 0.257 0.000 1.006 598 V CB -0.822 31.094 31.823 0.154 0.000 0.641 598 V HN 0.299 nan 8.190 nan 0.000 0.446 599 A N -0.477 122.440 122.820 0.161 0.000 1.978 599 A HA -0.283 4.036 4.320 -0.001 0.000 0.220 599 A C 2.105 179.767 177.584 0.129 0.000 1.170 599 A CA 2.209 54.322 52.037 0.126 0.000 0.636 599 A CB -0.797 18.254 19.000 0.085 0.000 0.810 599 A HN 0.580 nan 8.150 nan 0.000 0.448 600 F N -0.986 118.957 119.950 -0.011 0.000 2.095 600 F HA -0.188 4.338 4.527 -0.001 0.000 0.298 600 F C 1.904 177.649 175.800 -0.092 0.000 1.104 600 F CA 1.784 59.705 58.000 -0.132 0.000 1.232 600 F CB -0.486 38.323 39.000 -0.318 0.000 0.987 600 F HN 0.389 nan 8.300 nan 0.000 0.475 601 W N -0.776 120.548 121.300 0.040 0.000 2.584 601 W HA -0.003 4.656 4.660 -0.001 0.000 0.264 601 W C 1.660 178.168 176.519 -0.018 0.000 1.264 601 W CA -0.100 57.228 57.345 -0.027 0.000 1.306 601 W CB -0.001 29.593 29.460 0.222 0.000 1.110 601 W HN 0.031 nan 8.180 nan 0.000 0.606 602 L N -0.709 120.645 121.223 0.218 0.000 2.388 602 L HA 0.049 4.388 4.340 -0.001 0.000 0.209 602 L C 2.166 179.096 176.870 0.100 0.000 1.061 602 L CA 1.430 56.364 54.840 0.157 0.000 0.834 602 L CB -0.879 41.271 42.059 0.152 0.000 1.029 602 L HN -0.197 nan 8.230 nan 0.000 0.473 603 E N -0.683 119.557 120.200 0.066 0.000 2.057 603 E HA -0.027 4.322 4.350 -0.001 0.000 0.191 603 E C 2.033 178.651 176.600 0.030 0.000 0.959 603 E CA 0.563 56.994 56.400 0.051 0.000 0.828 603 E CB -0.694 29.024 29.700 0.030 0.000 0.800 603 E HN 0.131 nan 8.360 nan 0.000 0.460 604 L N 1.424 122.610 121.223 -0.062 0.000 2.056 604 L HA -0.084 4.256 4.340 -0.001 0.000 0.207 604 L C 2.265 179.060 176.870 -0.125 0.000 1.078 604 L CA 1.177 55.953 54.840 -0.107 0.000 0.749 604 L CB -0.311 41.659 42.059 -0.149 0.000 0.901 604 L HN -0.098 nan 8.230 nan 0.000 0.433 605 V N 1.088 120.844 119.914 -0.264 0.000 2.427 605 V HA -0.109 4.010 4.120 -0.001 0.000 0.248 605 V C -0.310 175.849 176.094 0.108 0.000 1.051 605 V CA 1.808 63.989 62.300 -0.198 0.000 1.048 605 V CB -1.861 29.814 31.823 -0.247 0.000 0.666 605 V HN 0.392 nan 8.190 nan 0.000 0.456 606 P HA -0.205 nan 4.420 nan 0.000 0.216 606 P C 1.179 178.533 177.300 0.090 0.000 1.150 606 P CA 1.720 64.915 63.100 0.158 0.000 0.843 606 P CB -0.173 31.577 31.700 0.084 0.000 0.787 607 H N -1.345 117.751 119.070 0.043 0.000 2.555 607 H HA 0.158 4.713 4.556 -0.002 0.000 0.269 607 H C 1.588 176.944 175.328 0.046 0.000 0.988 607 H CA 0.533 56.595 56.048 0.024 0.000 1.178 607 H CB -0.521 29.240 29.762 -0.002 0.000 1.373 607 H HN 0.064 nan 8.280 nan 0.000 0.588 608 L N 0.728 122.057 121.223 0.176 0.000 2.728 608 L HA 0.191 4.530 4.340 -0.001 0.000 0.238 608 L C 0.106 177.120 176.870 0.241 0.000 1.143 608 L CA -0.259 54.666 54.840 0.140 0.000 0.937 608 L CB 0.074 42.154 42.059 0.034 0.000 1.225 608 L HN 0.429 nan 8.230 nan 0.000 0.507 609 H N 0.000 119.097 119.070 0.045 0.000 2.539 609 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 609 H CA 0.000 56.096 56.048 0.080 0.000 1.023 609 H CB 0.000 29.838 29.762 0.127 0.000 1.292 609 H HN 0.000 nan 8.280 nan 0.000 0.496