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 3o4h_1_A DATA FIRST_RESID 6 DATA SEQUENCE PVEFSRIVRD VERLIAVEKY SLQGVVDGDK LLVVGFSEGS VNAYLYDGGE DATA SEQUENCE TVKLNREPIN SVLDPHYGVG RVILVRDVSK GAEQHALFKV NTSRPGEEQR DATA SEQUENCE LEAVKPMRIL SGVDTGEAVV FTGATEDRVA LYALDGGGLR ELARLPGFGF DATA SEQUENCE VSDIRGDLIA GLGFFGGGRV SLFTSNLSSG GLRVFDSGEG SFSSASISPG DATA SEQUENCE MKVTAGLETA REARLVTVDP RDGSVEDLEL PSKDFSSYRP TAITWLGYLP DATA SEQUENCE DGRLAVVARR EGRSAVFIDG ERVEAPQGNH GRVVLWRGKL VTSHTSLSTP DATA SEQUENCE PRIVSLPSGE PLLEGGLPED LRRSIAGSRL VWVESFDGSR VPTYVLESGR DATA SEQUENCE APTPGPTVVL VHGGPFAEDS DSWDTFAASL AAAGFHVVMP NYRGSTGYGE DATA SEQUENCE EWRLKIIGDP CGGELEDVSA AARWARESGL ASELYIMGYS YGGYMTLCAL DATA SEQUENCE TMKPGLFKAG VAGASVVDWE EMYELSDAAF RNFIEQLTGG SREIMRSRSP DATA SEQUENCE INHVDRIKEP LALIHPQNAS RTPLKPLLRL MGELLARGKT FEAHIIPDAG DATA SEQUENCE HAINTMEDAV KILLPAVFFL ATQRER 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 6 P HA 0.000 nan 4.420 nan 0.000 0.216 6 P C 0.000 177.146 177.300 -0.256 0.000 1.155 6 P CA 0.000 62.997 63.100 -0.172 0.000 0.800 6 P CB 0.000 31.616 31.700 -0.140 0.000 0.726 7 V N 2.002 121.673 119.914 -0.405 0.000 2.655 7 V HA 0.027 4.246 4.120 0.165 0.000 0.300 7 V C 1.090 176.801 176.094 -0.638 0.000 1.044 7 V CA 0.249 62.211 62.300 -0.564 0.000 1.095 7 V CB 0.443 31.765 31.823 -0.835 0.000 0.952 7 V HN 0.493 nan 8.190 nan 0.000 0.485 8 E N 4.465 124.454 120.200 -0.352 0.000 2.028 8 E HA 0.178 4.627 4.350 0.165 0.000 0.275 8 E C 0.453 177.001 176.600 -0.087 0.000 1.171 8 E CA -0.045 56.237 56.400 -0.197 0.000 1.186 8 E CB 0.094 29.739 29.700 -0.092 0.000 1.256 8 E HN 0.693 nan 8.360 nan 0.000 0.474 9 F N 0.622 120.507 119.950 -0.108 0.000 2.069 9 F HA -0.291 4.343 4.527 0.179 0.000 0.298 9 F C 2.847 178.686 175.800 0.064 0.000 1.113 9 F CA 1.186 59.093 58.000 -0.157 0.000 1.214 9 F CB -0.087 38.693 39.000 -0.368 0.000 0.978 9 F HN 0.343 nan 8.300 nan 0.000 0.474 10 S N 0.251 116.069 115.700 0.196 0.000 2.402 10 S HA -0.187 4.381 4.470 0.165 0.000 0.229 10 S C 2.054 176.732 174.600 0.131 0.000 1.021 10 S CA 0.701 58.994 58.200 0.155 0.000 0.974 10 S CB -0.556 62.702 63.200 0.097 0.000 0.800 10 S HN 0.309 nan 8.310 nan 0.000 0.484 11 R N 0.929 121.490 120.500 0.100 0.000 2.081 11 R HA 0.045 4.484 4.340 0.165 0.000 0.235 11 R C 2.285 178.652 176.300 0.110 0.000 1.131 11 R CA 1.641 57.789 56.100 0.080 0.000 0.960 11 R CB -0.540 29.786 30.300 0.044 0.000 0.856 11 R HN 0.527 nan 8.270 nan 0.000 0.436 12 I N 0.398 121.069 120.570 0.169 0.000 2.163 12 I HA -0.290 3.979 4.170 0.165 0.000 0.243 12 I C 2.285 178.501 176.117 0.165 0.000 1.085 12 I CA 1.185 62.608 61.300 0.205 0.000 1.347 12 I CB -0.183 38.041 38.000 0.374 0.000 1.044 12 I HN 0.009 nan 8.210 nan 0.000 0.408 13 V N 0.562 120.604 119.914 0.212 0.000 2.427 13 V HA -0.262 3.956 4.120 0.165 0.000 0.248 13 V C 2.571 178.705 176.094 0.066 0.000 1.051 13 V CA 1.889 64.254 62.300 0.107 0.000 1.048 13 V CB -0.827 31.084 31.823 0.148 0.000 0.666 13 V HN 0.400 nan 8.190 nan 0.000 0.456 14 R N 0.181 120.730 120.500 0.082 0.000 2.081 14 R HA -0.172 4.267 4.340 0.165 0.000 0.235 14 R C 2.006 178.340 176.300 0.055 0.000 1.131 14 R CA 1.963 58.100 56.100 0.061 0.000 0.960 14 R CB -0.277 30.058 30.300 0.059 0.000 0.856 14 R HN 0.496 nan 8.270 nan 0.000 0.436 15 D N -0.355 120.081 120.400 0.061 0.000 2.097 15 D HA -0.120 4.619 4.640 0.165 0.000 0.197 15 D C 1.929 178.259 176.300 0.051 0.000 0.984 15 D CA 1.207 55.243 54.000 0.060 0.000 0.826 15 D CB -0.240 40.598 40.800 0.064 0.000 0.973 15 D HN 0.066 nan 8.370 nan 0.000 0.460 16 V N 1.955 121.884 119.914 0.026 0.000 2.343 16 V HA -0.245 3.974 4.120 0.165 0.000 0.247 16 V C 2.465 178.561 176.094 0.002 0.000 1.051 16 V CA 2.143 64.434 62.300 -0.014 0.000 1.036 16 V CB -0.688 31.083 31.823 -0.087 0.000 0.654 16 V HN 0.380 nan 8.190 nan 0.000 0.451 17 E N 0.434 120.642 120.200 0.013 0.000 2.106 17 E HA -0.244 4.205 4.350 0.165 0.000 0.192 17 E C 2.280 178.914 176.600 0.058 0.000 0.984 17 E CA 1.235 57.652 56.400 0.030 0.000 0.806 17 E CB -0.371 29.347 29.700 0.029 0.000 0.750 17 E HN 0.520 nan 8.360 nan 0.000 0.458 18 R N 0.479 121.015 120.500 0.061 0.000 2.090 18 R HA 0.031 4.469 4.340 0.165 0.000 0.228 18 R C 2.565 178.921 176.300 0.093 0.000 1.110 18 R CA 1.145 57.288 56.100 0.070 0.000 0.973 18 R CB -0.272 30.065 30.300 0.062 0.000 0.869 18 R HN 0.223 nan 8.270 nan 0.000 0.440 19 L N 0.333 121.626 121.223 0.115 0.000 2.093 19 L HA -0.146 4.293 4.340 0.165 0.000 0.208 19 L C 2.299 179.276 176.870 0.178 0.000 1.085 19 L CA 1.136 56.093 54.840 0.194 0.000 0.755 19 L CB -0.299 41.882 42.059 0.204 0.000 0.904 19 L HN 0.169 nan 8.230 nan 0.000 0.435 20 I N -0.068 120.562 120.570 0.100 0.000 2.179 20 I HA -0.272 3.997 4.170 0.165 0.000 0.242 20 I C 2.729 178.903 176.117 0.095 0.000 1.088 20 I CA 1.212 62.540 61.300 0.046 0.000 1.357 20 I CB -0.419 37.597 38.000 0.026 0.000 1.051 20 I HN 0.188 nan 8.210 nan 0.000 0.409 21 A N 0.227 123.147 122.820 0.167 0.000 2.067 21 A HA -0.067 4.352 4.320 0.165 0.000 0.219 21 A C 1.449 179.160 177.584 0.211 0.000 1.158 21 A CA 0.451 52.635 52.037 0.246 0.000 0.661 21 A CB -0.677 18.403 19.000 0.133 0.000 0.801 21 A HN 0.202 nan 8.150 nan 0.000 0.452 22 V N 1.301 121.279 119.914 0.107 0.000 2.694 22 V HA 0.034 4.253 4.120 0.165 0.000 0.306 22 V C 0.261 176.369 176.094 0.024 0.000 1.054 22 V CA -0.214 62.096 62.300 0.018 0.000 1.161 22 V CB 0.184 31.953 31.823 -0.091 0.000 0.916 22 V HN 0.654 nan 8.190 nan 0.000 0.490 23 E N 5.294 125.478 120.200 -0.026 0.000 2.392 23 E HA 0.302 4.751 4.350 0.165 0.000 0.264 23 E C -0.555 175.870 176.600 -0.291 0.000 1.024 23 E CA 0.391 56.710 56.400 -0.135 0.000 0.903 23 E CB 0.594 30.205 29.700 -0.148 0.000 0.963 23 E HN 0.630 nan 8.360 nan 0.000 0.432 24 K N 2.098 122.208 120.400 -0.482 0.000 2.498 24 K HA 0.440 4.859 4.320 0.165 0.000 0.254 24 K C -1.519 174.699 176.600 -0.636 0.000 0.933 24 K CA -0.755 55.285 56.287 -0.412 0.000 0.806 24 K CB 1.572 33.948 32.500 -0.207 0.000 1.301 24 K HN 0.361 nan 8.250 nan 0.000 0.432 25 Y N -0.427 119.842 120.300 -0.051 0.000 2.512 25 Y HA 0.452 5.102 4.550 0.167 0.000 0.348 25 Y C -0.146 175.718 175.900 -0.060 0.000 0.990 25 Y CA -0.862 57.209 58.100 -0.049 0.000 1.033 25 Y CB 2.634 41.033 38.460 -0.101 0.000 1.259 25 Y HN 0.474 nan 8.280 nan 0.000 0.461 26 S N 2.351 118.111 115.700 0.100 0.000 2.521 26 S HA 0.604 5.173 4.470 0.165 0.000 0.295 26 S C -1.800 172.795 174.600 -0.009 0.000 1.098 26 S CA -0.574 57.637 58.200 0.018 0.000 0.999 26 S CB 0.870 64.071 63.200 0.001 0.000 1.034 26 S HN 0.584 nan 8.310 nan 0.000 0.483 27 L N 4.749 125.928 121.223 -0.074 0.000 2.276 27 L HA 0.552 4.991 4.340 0.165 0.000 0.286 27 L C 0.706 177.496 176.870 -0.134 0.000 1.061 27 L CA 0.468 55.234 54.840 -0.123 0.000 0.807 27 L CB 1.072 43.029 42.059 -0.170 0.000 1.177 27 L HN 0.772 nan 8.230 nan 0.000 0.429 28 Q N 3.830 123.561 119.800 -0.114 0.000 2.369 28 Q HA 0.491 4.930 4.340 0.165 0.000 0.254 28 Q C 0.542 176.473 176.000 -0.115 0.000 0.858 28 Q CA 0.642 56.389 55.803 -0.094 0.000 0.961 28 Q CB 1.396 30.106 28.738 -0.047 0.000 1.119 28 Q HN 0.908 nan 8.270 nan 0.000 0.538 29 G N -0.299 108.406 108.800 -0.158 0.000 2.344 29 G HA2 0.306 4.364 3.960 0.165 0.000 0.282 29 G HA3 0.306 4.364 3.960 0.165 0.000 0.282 29 G C -1.806 172.942 174.900 -0.253 0.000 1.281 29 G CA -0.464 44.491 45.100 -0.243 0.000 0.877 29 G HN -0.100 nan 8.290 nan 0.000 0.494 30 V N 0.813 120.513 119.914 -0.358 0.000 2.531 30 V HA 0.735 4.954 4.120 0.165 0.000 0.301 30 V C 0.355 176.401 176.094 -0.082 0.000 1.034 30 V CA -0.245 61.952 62.300 -0.172 0.000 0.865 30 V CB 0.956 32.746 31.823 -0.054 0.000 0.995 30 V HN 1.564 nan 8.190 nan 0.000 0.424 31 V N 1.029 120.951 119.914 0.012 0.000 3.155 31 V HA 0.873 5.092 4.120 0.165 0.000 0.313 31 V C 0.252 176.396 176.094 0.084 0.000 1.162 31 V CA -0.086 62.242 62.300 0.046 0.000 1.048 31 V CB 1.586 33.425 31.823 0.027 0.000 1.092 31 V HN 1.022 nan 8.190 nan 0.000 0.447 32 D N 1.606 122.054 120.400 0.080 0.000 3.403 32 D HA -0.226 4.513 4.640 0.165 0.000 0.170 32 D C 0.973 177.332 176.300 0.099 0.000 1.134 32 D CA 1.742 55.791 54.000 0.081 0.000 0.950 32 D CB -1.479 39.359 40.800 0.063 0.000 0.503 32 D HN 1.848 nan 8.370 nan 0.000 0.496 33 G N -1.210 107.644 108.800 0.089 0.000 2.909 33 G HA2 0.234 4.293 3.960 0.165 0.000 0.269 33 G HA3 0.234 4.293 3.960 0.165 0.000 0.269 33 G C -0.179 174.800 174.900 0.131 0.000 0.726 33 G CA 0.538 45.694 45.100 0.093 0.000 2.082 33 G HN 0.700 nan 8.290 nan 0.000 0.588 34 D N -0.061 120.446 120.400 0.178 0.000 2.737 34 D HA -0.114 4.624 4.640 0.165 0.000 0.238 34 D C 0.181 176.744 176.300 0.438 0.000 1.157 34 D CA 1.145 55.322 54.000 0.294 0.000 0.694 34 D CB -0.059 40.859 40.800 0.196 0.000 1.021 34 D HN 0.355 nan 8.370 nan 0.000 0.420 35 K N 0.768 121.335 120.400 0.278 0.000 2.244 35 K HA 0.429 4.848 4.320 0.165 0.000 0.260 35 K C 0.675 177.308 176.600 0.054 0.000 0.951 35 K CA -0.760 55.646 56.287 0.198 0.000 0.826 35 K CB 1.772 34.338 32.500 0.110 0.000 1.108 35 K HN 0.170 nan 8.250 nan 0.000 0.433 36 L N 3.041 124.185 121.223 -0.131 0.000 2.416 36 L HA 0.142 4.581 4.340 0.165 0.000 0.272 36 L C 0.148 176.963 176.870 -0.092 0.000 1.161 36 L CA -0.663 54.025 54.840 -0.252 0.000 0.845 36 L CB 0.192 41.964 42.059 -0.480 0.000 1.119 36 L HN 0.305 nan 8.230 nan 0.000 0.464 37 L N 5.103 126.271 121.223 -0.093 0.000 2.265 37 L HA 0.511 4.950 4.340 0.165 0.000 0.289 37 L C -0.545 176.303 176.870 -0.037 0.000 1.033 37 L CA 0.014 54.832 54.840 -0.036 0.000 0.814 37 L CB 1.399 43.435 42.059 -0.038 0.000 1.203 37 L HN 0.232 nan 8.230 nan 0.000 0.423 38 V N 5.575 125.509 119.914 0.034 0.000 2.680 38 V HA 0.514 4.733 4.120 0.165 0.000 0.309 38 V C -0.457 175.732 176.094 0.158 0.000 1.052 38 V CA -0.782 61.563 62.300 0.074 0.000 0.908 38 V CB 2.277 34.145 31.823 0.074 0.000 1.001 38 V HN 0.461 nan 8.190 nan 0.000 0.431 39 V N 3.231 123.221 119.914 0.127 0.000 2.407 39 V HA 0.809 5.028 4.120 0.165 0.000 0.278 39 V C 0.608 176.820 176.094 0.197 0.000 1.037 39 V CA 0.027 62.405 62.300 0.130 0.000 0.900 39 V CB 1.468 33.323 31.823 0.054 0.000 0.983 39 V HN 1.016 nan 8.190 nan 0.000 0.459 40 G N 3.209 112.173 108.800 0.273 0.000 2.617 40 G HA2 0.567 4.625 3.960 0.165 0.000 0.306 40 G HA3 0.567 4.625 3.960 0.165 0.000 0.306 40 G C -1.445 173.521 174.900 0.111 0.000 1.360 40 G CA -0.577 44.608 45.100 0.142 0.000 0.983 40 G HN 0.508 nan 8.290 nan 0.000 0.496 41 F N 2.911 122.744 119.950 -0.196 0.000 2.404 41 F HA 0.645 5.270 4.527 0.163 0.000 0.359 41 F C 0.364 176.058 175.800 -0.176 0.000 1.134 41 F CA -0.073 57.845 58.000 -0.136 0.000 1.160 41 F CB 0.995 39.912 39.000 -0.137 0.000 1.186 41 F HN 0.431 nan 8.300 nan 0.000 0.526 42 S N 3.870 119.306 115.700 -0.439 0.000 2.537 42 S HA 0.491 5.060 4.470 0.165 0.000 0.270 42 S C -0.096 174.321 174.600 -0.306 0.000 1.142 42 S CA 0.203 58.228 58.200 -0.292 0.000 0.870 42 S CB 1.384 64.500 63.200 -0.140 0.000 1.112 42 S HN 1.182 nan 8.310 nan 0.000 0.466 43 E N 0.879 120.947 120.200 -0.221 0.000 2.440 43 E HA -0.129 4.320 4.350 0.165 0.000 0.246 43 E C 1.693 178.129 176.600 -0.272 0.000 1.165 43 E CA 1.791 58.087 56.400 -0.174 0.000 0.726 43 E CB -2.638 27.009 29.700 -0.089 0.000 1.271 43 E HN 2.624 nan 8.360 nan 0.000 0.397 44 G N -2.320 106.193 108.800 -0.477 0.000 2.162 44 G HA2 0.114 4.173 3.960 0.165 0.000 0.260 44 G HA3 0.114 4.173 3.960 0.165 0.000 0.260 44 G C 0.633 175.165 174.900 -0.612 0.000 0.976 44 G CA 1.621 46.434 45.100 -0.479 0.000 0.655 44 G HN 2.460 nan 8.290 nan 0.000 0.533 45 S N -2.196 112.997 115.700 -0.845 0.000 2.625 45 S HA 0.716 5.284 4.470 0.165 0.000 0.271 45 S C -0.633 173.766 174.600 -0.336 0.000 1.161 45 S CA -0.283 57.662 58.200 -0.424 0.000 0.820 45 S CB 2.337 65.437 63.200 -0.167 0.000 1.137 45 S HN 1.144 nan 8.310 nan 0.000 0.470 46 V N 3.113 123.025 119.914 -0.003 0.000 2.432 46 V HA 0.475 4.694 4.120 0.165 0.000 0.271 46 V C -0.209 175.862 176.094 -0.039 0.000 1.046 46 V CA -0.254 62.087 62.300 0.068 0.000 0.945 46 V CB 0.120 32.021 31.823 0.130 0.000 0.992 46 V HN 0.829 nan 8.190 nan 0.000 0.471 47 N N 2.452 121.115 118.700 -0.062 0.000 2.571 47 N HA 0.782 5.620 4.740 0.165 0.000 0.273 47 N C -0.752 174.578 175.510 -0.300 0.000 1.340 47 N CA -0.510 52.396 53.050 -0.241 0.000 0.789 47 N CB 2.429 40.677 38.487 -0.399 0.000 1.514 47 N HN 0.660 nan 8.380 nan 0.000 0.499 48 A N 0.593 123.137 122.820 -0.459 0.000 2.330 48 A HA 0.761 5.180 4.320 0.165 0.000 0.327 48 A C -1.655 175.609 177.584 -0.534 0.000 1.155 48 A CA -0.375 51.473 52.037 -0.314 0.000 0.803 48 A CB 0.483 19.386 19.000 -0.163 0.000 1.208 48 A HN 0.597 nan 8.150 nan 0.000 0.477 49 Y N 0.711 121.023 120.300 0.020 0.000 2.512 49 Y HA 0.527 5.175 4.550 0.164 0.000 0.348 49 Y C -0.177 175.735 175.900 0.020 0.000 0.990 49 Y CA -0.741 57.375 58.100 0.027 0.000 1.033 49 Y CB 1.954 40.450 38.460 0.060 0.000 1.259 49 Y HN 0.542 nan 8.280 nan 0.000 0.461 50 L N 3.022 124.353 121.223 0.179 0.000 2.292 50 L HA 0.324 4.763 4.340 0.165 0.000 0.284 50 L C -1.053 175.898 176.870 0.134 0.000 1.065 50 L CA -0.667 54.240 54.840 0.112 0.000 0.806 50 L CB 0.713 42.813 42.059 0.068 0.000 1.175 50 L HN 0.606 nan 8.230 nan 0.000 0.431 51 Y N 3.125 123.393 120.300 -0.053 0.000 2.352 51 Y HA 0.553 5.202 4.550 0.165 0.000 0.339 51 Y C -0.850 175.019 175.900 -0.052 0.000 0.992 51 Y CA -0.387 57.652 58.100 -0.102 0.000 1.100 51 Y CB 1.500 39.816 38.460 -0.239 0.000 1.192 51 Y HN 0.571 nan 8.280 nan 0.000 0.458 52 D N 2.821 122.830 120.400 -0.650 0.000 2.706 52 D HA 0.365 5.104 4.640 0.165 0.000 0.227 52 D C -0.054 175.989 176.300 -0.428 0.000 1.233 52 D CA 0.367 54.169 54.000 -0.331 0.000 0.768 52 D CB 1.555 42.369 40.800 0.023 0.000 1.490 52 D HN 0.937 nan 8.370 nan 0.000 0.458 53 G N 1.382 110.066 108.800 -0.193 0.000 2.323 53 G HA2 0.157 4.215 3.960 0.165 0.000 0.292 53 G HA3 0.157 4.215 3.960 0.165 0.000 0.292 53 G C 1.098 175.883 174.900 -0.191 0.000 1.040 53 G CA 1.191 46.214 45.100 -0.129 0.000 0.942 53 G HN 1.681 nan 8.290 nan 0.000 0.506 54 G N -1.628 107.000 108.800 -0.286 0.000 2.168 54 G HA2 -0.195 3.864 3.960 0.165 0.000 0.257 54 G HA3 -0.195 3.864 3.960 0.165 0.000 0.257 54 G C 0.056 174.884 174.900 -0.119 0.000 0.997 54 G CA 1.224 46.266 45.100 -0.097 0.000 0.708 54 G HN 1.172 nan 8.290 nan 0.000 0.520 55 E N -0.687 119.322 120.200 -0.318 0.000 2.383 55 E HA 0.573 5.022 4.350 0.165 0.000 0.275 55 E C -0.169 176.339 176.600 -0.154 0.000 0.918 55 E CA -0.322 55.988 56.400 -0.150 0.000 0.764 55 E CB 1.823 31.461 29.700 -0.105 0.000 1.252 55 E HN 0.340 nan 8.360 nan 0.000 0.449 56 T N -1.811 112.730 114.554 -0.022 0.000 2.918 56 T HA 0.670 5.119 4.350 0.165 0.000 0.286 56 T C -0.411 174.342 174.700 0.088 0.000 1.026 56 T CA -0.691 61.436 62.100 0.046 0.000 1.031 56 T CB 1.287 70.147 68.868 -0.014 0.000 1.046 56 T HN 0.127 nan 8.240 nan 0.000 0.479 57 V N 2.143 122.150 119.914 0.155 0.000 2.588 57 V HA 0.480 4.699 4.120 0.165 0.000 0.304 57 V C 0.081 176.301 176.094 0.210 0.000 1.042 57 V CA -1.098 61.289 62.300 0.145 0.000 0.877 57 V CB 1.874 33.738 31.823 0.069 0.000 0.996 57 V HN 1.014 nan 8.190 nan 0.000 0.425 58 K N 3.257 123.758 120.400 0.168 0.000 2.339 58 K HA 0.397 4.816 4.320 0.165 0.000 0.286 58 K C 0.391 176.934 176.600 -0.095 0.000 1.050 58 K CA -0.266 55.999 56.287 -0.037 0.000 0.956 58 K CB 0.873 33.355 32.500 -0.031 0.000 0.990 58 K HN 0.623 nan 8.250 nan 0.000 0.475 59 L N 2.980 124.097 121.223 -0.176 0.000 2.253 59 L HA -0.025 4.414 4.340 0.165 0.000 0.205 59 L C 1.071 177.871 176.870 -0.118 0.000 1.078 59 L CA 0.140 54.915 54.840 -0.108 0.000 0.805 59 L CB -0.249 41.755 42.059 -0.092 0.000 0.963 59 L HN 0.722 nan 8.230 nan 0.000 0.459 60 N N -0.429 118.164 118.700 -0.177 0.000 2.447 60 N HA 0.202 5.041 4.740 0.165 0.000 0.271 60 N C 0.283 175.701 175.510 -0.153 0.000 1.226 60 N CA -0.521 52.429 53.050 -0.166 0.000 0.980 60 N CB 1.430 39.797 38.487 -0.198 0.000 1.206 60 N HN -0.016 nan 8.380 nan 0.000 0.558 61 R N -0.420 119.989 120.500 -0.152 0.000 1.921 61 R HA 0.177 4.616 4.340 0.165 0.000 0.190 61 R C 0.057 176.276 176.300 -0.135 0.000 1.595 61 R CA -0.052 55.972 56.100 -0.126 0.000 1.236 61 R CB -0.374 29.861 30.300 -0.108 0.000 1.010 61 R HN 0.616 nan 8.270 nan 0.000 0.482 62 E N 1.944 122.051 120.200 -0.156 0.000 2.392 62 E HA 0.189 4.637 4.350 0.165 0.000 0.259 62 E C -2.226 174.283 176.600 -0.150 0.000 1.108 62 E CA -1.903 54.413 56.400 -0.140 0.000 0.916 62 E CB 0.054 29.666 29.700 -0.147 0.000 0.989 62 E HN 0.023 nan 8.360 nan 0.000 0.432 63 P HA 0.006 nan 4.420 nan 0.000 0.269 63 P C -0.277 176.966 177.300 -0.095 0.000 1.211 63 P CA 0.505 63.548 63.100 -0.094 0.000 0.781 63 P CB 0.343 32.013 31.700 -0.051 0.000 0.877 64 I N -1.775 118.752 120.570 -0.073 0.000 3.294 64 I HA 0.528 4.796 4.170 0.165 0.000 0.311 64 I C 0.338 176.455 176.117 -0.000 0.000 1.111 64 I CA -0.826 60.441 61.300 -0.055 0.000 0.976 64 I CB 2.035 39.986 38.000 -0.081 0.000 1.260 64 I HN -0.031 nan 8.210 nan 0.000 0.474 65 N N 0.117 118.825 118.700 0.012 0.000 2.499 65 N HA 0.252 5.091 4.740 0.165 0.000 0.182 65 N C 0.154 175.666 175.510 0.003 0.000 1.034 65 N CA 0.492 53.558 53.050 0.027 0.000 0.882 65 N CB 0.799 39.312 38.487 0.044 0.000 1.125 65 N HN 0.710 nan 8.380 nan 0.000 0.436 66 S N -1.521 114.166 115.700 -0.022 0.000 2.714 66 S HA 0.620 5.189 4.470 0.165 0.000 0.280 66 S C -2.018 172.570 174.600 -0.020 0.000 1.200 66 S CA -0.443 57.747 58.200 -0.017 0.000 0.900 66 S CB 0.228 63.419 63.200 -0.014 0.000 1.235 66 S HN -0.013 nan 8.310 nan 0.000 0.512 67 V N 0.347 120.255 119.914 -0.009 0.000 3.040 67 V HA 0.715 4.934 4.120 0.165 0.000 0.312 67 V C -0.754 175.348 176.094 0.013 0.000 1.115 67 V CA -1.007 61.291 62.300 -0.003 0.000 0.998 67 V CB 1.260 33.081 31.823 -0.005 0.000 1.042 67 V HN 0.870 nan 8.190 nan 0.000 0.433 68 L N 1.490 122.724 121.223 0.019 0.000 2.436 68 L HA 0.383 4.822 4.340 0.165 0.000 0.265 68 L C -0.076 176.828 176.870 0.057 0.000 1.168 68 L CA -0.371 54.499 54.840 0.049 0.000 0.815 68 L CB 0.309 42.397 42.059 0.050 0.000 1.109 68 L HN 0.670 nan 8.230 nan 0.000 0.462 69 D N 3.367 123.820 120.400 0.088 0.000 2.382 69 D HA 0.129 4.867 4.640 0.165 0.000 0.259 69 D C -2.150 174.210 176.300 0.099 0.000 1.224 69 D CA -0.894 53.164 54.000 0.096 0.000 0.894 69 D CB 0.406 41.296 40.800 0.150 0.000 1.127 69 D HN 0.229 nan 8.370 nan 0.000 0.487 70 P HA 0.126 nan 4.420 nan 0.000 0.284 70 P C -0.150 177.254 177.300 0.173 0.000 1.253 70 P CA -0.313 62.837 63.100 0.082 0.000 0.800 70 P CB 0.962 32.679 31.700 0.027 0.000 0.961 71 H N 1.024 120.137 119.070 0.072 0.000 2.757 71 H HA 0.026 4.681 4.556 0.165 0.000 0.370 71 H C 0.077 175.477 175.328 0.121 0.000 1.172 71 H CA -0.173 55.953 56.048 0.130 0.000 1.426 71 H CB 0.234 30.080 29.762 0.141 0.000 1.438 71 H HN 0.392 nan 8.280 nan 0.000 0.612 72 Y N 0.235 120.626 120.300 0.152 0.000 2.721 72 Y HA -0.023 4.626 4.550 0.165 0.000 0.329 72 Y C 1.487 177.457 175.900 0.118 0.000 1.211 72 Y CA 1.439 59.607 58.100 0.114 0.000 1.512 72 Y CB 0.361 38.867 38.460 0.077 0.000 1.249 72 Y HN 1.004 nan 8.280 nan 0.000 0.549 73 G N 1.535 110.464 108.800 0.215 0.000 2.179 73 G HA2 -0.273 3.786 3.960 0.165 0.000 0.260 73 G HA3 -0.273 3.786 3.960 0.165 0.000 0.260 73 G C -0.013 174.965 174.900 0.130 0.000 0.977 73 G CA -0.058 45.146 45.100 0.173 0.000 0.641 73 G HN 1.017 nan 8.290 nan 0.000 0.533 74 V N -1.180 118.810 119.914 0.127 0.000 2.872 74 V HA 0.623 4.841 4.120 0.165 0.000 0.307 74 V C 1.445 177.581 176.094 0.071 0.000 1.072 74 V CA 0.770 63.129 62.300 0.098 0.000 1.148 74 V CB 1.426 33.304 31.823 0.093 0.000 0.954 74 V HN 1.151 nan 8.190 nan 0.000 0.490 75 G N 4.088 112.923 108.800 0.059 0.000 3.448 75 G HA2 0.399 4.458 3.960 0.165 0.000 0.261 75 G HA3 0.399 4.458 3.960 0.165 0.000 0.261 75 G C 0.447 175.369 174.900 0.037 0.000 1.173 75 G CA -0.096 45.032 45.100 0.048 0.000 0.835 75 G HN 1.099 nan 8.290 nan 0.000 0.534 76 R N -2.051 118.471 120.500 0.036 0.000 2.781 76 R HA 0.729 5.168 4.340 0.165 0.000 0.269 76 R C -2.187 174.128 176.300 0.025 0.000 1.025 76 R CA -0.701 55.416 56.100 0.028 0.000 0.914 76 R CB 1.461 31.777 30.300 0.026 0.000 1.236 76 R HN -0.126 nan 8.270 nan 0.000 0.465 77 V N 1.867 121.792 119.914 0.019 0.000 2.789 77 V HA 0.471 4.689 4.120 0.165 0.000 0.311 77 V C -0.631 175.473 176.094 0.017 0.000 1.073 77 V CA -0.982 61.327 62.300 0.014 0.000 0.921 77 V CB 2.150 33.975 31.823 0.004 0.000 1.009 77 V HN 0.579 nan 8.190 nan 0.000 0.426 78 I N 5.206 125.785 120.570 0.014 0.000 2.330 78 I HA 0.391 4.660 4.170 0.165 0.000 0.286 78 I C -0.061 176.066 176.117 0.017 0.000 1.025 78 I CA -0.269 61.039 61.300 0.013 0.000 1.197 78 I CB 1.185 39.180 38.000 -0.008 0.000 1.358 78 I HN 0.401 nan 8.210 nan 0.000 0.467 79 L N 6.255 127.508 121.223 0.049 0.000 2.397 79 L HA 0.406 4.845 4.340 0.165 0.000 0.271 79 L C -0.013 176.910 176.870 0.089 0.000 1.148 79 L CA -0.638 54.232 54.840 0.049 0.000 0.825 79 L CB 1.063 43.146 42.059 0.041 0.000 1.117 79 L HN 0.209 nan 8.230 nan 0.000 0.456 80 V N 3.849 123.783 119.914 0.034 0.000 2.357 80 V HA 0.462 4.680 4.120 0.165 0.000 0.284 80 V C -0.033 176.093 176.094 0.053 0.000 1.018 80 V CA -0.561 61.749 62.300 0.017 0.000 0.841 80 V CB 1.369 33.128 31.823 -0.107 0.000 0.991 80 V HN 0.718 nan 8.190 nan 0.000 0.437 81 R N 2.977 123.585 120.500 0.180 0.000 2.561 81 R HA 0.336 4.775 4.340 0.165 0.000 0.297 81 R C -0.846 175.625 176.300 0.285 0.000 0.969 81 R CA -0.687 55.508 56.100 0.160 0.000 0.879 81 R CB 1.565 31.860 30.300 -0.008 0.000 1.178 81 R HN 0.739 nan 8.270 nan 0.000 0.445 82 D N 3.969 124.541 120.400 0.287 0.000 2.434 82 D HA 0.002 4.741 4.640 0.165 0.000 0.252 82 D C 0.653 177.016 176.300 0.106 0.000 1.185 82 D CA 0.218 54.334 54.000 0.194 0.000 0.886 82 D CB 1.252 42.137 40.800 0.142 0.000 1.148 82 D HN 0.403 nan 8.370 nan 0.000 0.483 83 V N 1.638 121.603 119.914 0.085 0.000 3.177 83 V HA 0.207 4.426 4.120 0.165 0.000 0.342 83 V C 0.791 176.905 176.094 0.032 0.000 1.379 83 V CA 0.230 62.577 62.300 0.078 0.000 1.191 83 V CB -0.384 31.513 31.823 0.123 0.000 1.167 83 V HN 0.478 nan 8.190 nan 0.000 0.471 84 S N -1.025 114.680 115.700 0.008 0.000 2.952 84 S HA 0.349 4.918 4.470 0.165 0.000 0.251 84 S C 0.382 174.984 174.600 0.002 0.000 1.021 84 S CA -0.356 57.841 58.200 -0.005 0.000 1.067 84 S CB -0.231 62.950 63.200 -0.031 0.000 1.002 84 S HN 0.552 nan 8.310 nan 0.000 0.574 85 K N 0.943 121.351 120.400 0.014 0.000 3.035 85 K HA -0.190 4.229 4.320 0.165 0.000 0.262 85 K C 0.966 177.580 176.600 0.023 0.000 1.024 85 K CA 0.587 56.885 56.287 0.019 0.000 0.748 85 K CB -1.986 30.523 32.500 0.016 0.000 1.247 85 K HN 1.150 nan 8.250 nan 0.000 0.482 86 G N -1.755 107.060 108.800 0.025 0.000 2.218 86 G HA2 -0.251 3.808 3.960 0.165 0.000 0.216 86 G HA3 -0.251 3.808 3.960 0.165 0.000 0.216 86 G C 0.735 175.650 174.900 0.026 0.000 0.994 86 G CA 0.173 45.296 45.100 0.038 0.000 0.637 86 G HN 0.698 nan 8.290 nan 0.000 0.505 87 A N 0.540 123.357 122.820 -0.004 0.000 2.239 87 A HA 0.484 4.903 4.320 0.165 0.000 0.209 87 A C 1.294 178.838 177.584 -0.066 0.000 1.171 87 A CA 1.790 53.815 52.037 -0.021 0.000 0.768 87 A CB -0.525 18.462 19.000 -0.023 0.000 0.790 87 A HN 1.293 nan 8.150 nan 0.000 0.478 88 E N -0.862 119.261 120.200 -0.129 0.000 2.637 88 E HA -0.163 4.286 4.350 0.165 0.000 0.265 88 E C -0.856 175.420 176.600 -0.540 0.000 1.073 88 E CA 0.448 56.636 56.400 -0.355 0.000 0.778 88 E CB -1.291 28.368 29.700 -0.068 0.000 1.362 88 E HN 0.665 nan 8.360 nan 0.000 0.413 89 Q N 0.778 120.374 119.800 -0.339 0.000 2.377 89 Q HA 0.258 4.696 4.340 0.165 0.000 0.249 89 Q C -0.230 175.623 176.000 -0.245 0.000 1.005 89 Q CA 0.348 56.010 55.803 -0.234 0.000 0.912 89 Q CB 0.552 29.236 28.738 -0.091 0.000 1.223 89 Q HN 0.329 nan 8.270 nan 0.000 0.459 90 H N 0.001 119.099 119.070 0.047 0.000 2.508 90 H HA 0.756 5.411 4.556 0.165 0.000 0.344 90 H C -0.419 174.917 175.328 0.013 0.000 1.192 90 H CA -0.718 55.360 56.048 0.050 0.000 1.290 90 H CB 1.371 31.163 29.762 0.051 0.000 1.571 90 H HN 0.682 nan 8.280 nan 0.000 0.555 91 A N 1.338 124.274 122.820 0.192 0.000 2.423 91 A HA 0.624 5.042 4.320 0.165 0.000 0.304 91 A C -1.188 176.385 177.584 -0.019 0.000 1.104 91 A CA -0.812 51.221 52.037 -0.007 0.000 0.757 91 A CB 1.045 19.976 19.000 -0.115 0.000 1.313 91 A HN 0.562 nan 8.150 nan 0.000 0.423 92 L N 0.568 121.623 121.223 -0.280 0.000 2.322 92 L HA 0.635 5.074 4.340 0.165 0.000 0.279 92 L C -1.424 175.211 176.870 -0.391 0.000 1.036 92 L CA -0.236 54.476 54.840 -0.213 0.000 0.807 92 L CB 1.189 43.066 42.059 -0.304 0.000 1.226 92 L HN 0.627 nan 8.230 nan 0.000 0.433 93 F N 0.490 120.393 119.950 -0.078 0.000 2.536 93 F HA 0.307 4.933 4.527 0.165 0.000 0.322 93 F C 0.097 175.867 175.800 -0.051 0.000 1.144 93 F CA -0.808 57.159 58.000 -0.056 0.000 0.924 93 F CB 1.970 40.943 39.000 -0.046 0.000 1.181 93 F HN 0.185 nan 8.300 nan 0.000 0.438 94 K N 2.792 123.245 120.400 0.088 0.000 2.205 94 K HA 0.761 5.180 4.320 0.165 0.000 0.279 94 K C -1.143 175.495 176.600 0.063 0.000 1.027 94 K CA -0.392 55.926 56.287 0.053 0.000 0.932 94 K CB 1.254 33.765 32.500 0.018 0.000 1.032 94 K HN 0.507 nan 8.250 nan 0.000 0.466 95 V N 4.755 124.693 119.914 0.040 0.000 2.483 95 V HA 0.317 4.535 4.120 0.165 0.000 0.297 95 V C -0.057 176.048 176.094 0.020 0.000 1.027 95 V CA -1.208 61.108 62.300 0.025 0.000 0.855 95 V CB 1.582 33.410 31.823 0.008 0.000 0.995 95 V HN 0.964 nan 8.190 nan 0.000 0.424 96 N N 3.011 121.723 118.700 0.019 0.000 2.468 96 N HA -0.001 4.838 4.740 0.165 0.000 0.265 96 N C 1.462 176.983 175.510 0.018 0.000 1.199 96 N CA 0.741 53.802 53.050 0.020 0.000 0.928 96 N CB 1.833 40.331 38.487 0.019 0.000 1.059 96 N HN 0.863 nan 8.380 nan 0.000 0.467 97 T N 0.150 114.718 114.554 0.022 0.000 2.929 97 T HA -0.083 4.366 4.350 0.165 0.000 0.271 97 T C 1.489 176.203 174.700 0.022 0.000 1.085 97 T CA 1.080 63.194 62.100 0.023 0.000 1.125 97 T CB -0.096 68.791 68.868 0.032 0.000 0.874 97 T HN 0.376 nan 8.240 nan 0.000 0.494 98 S N 1.015 116.728 115.700 0.021 0.000 2.527 98 S HA 0.189 4.758 4.470 0.165 0.000 0.222 98 S C 1.017 175.626 174.600 0.014 0.000 0.985 98 S CA -0.044 58.167 58.200 0.019 0.000 0.921 98 S CB 0.020 63.231 63.200 0.019 0.000 0.772 98 S HN 0.491 nan 8.310 nan 0.000 0.529 99 R N 1.778 122.286 120.500 0.013 0.000 2.681 99 R HA 0.235 4.673 4.340 0.165 0.000 0.277 99 R C -3.061 173.243 176.300 0.005 0.000 1.563 99 R CA -1.549 54.557 56.100 0.009 0.000 1.673 99 R CB 0.917 31.224 30.300 0.010 0.000 1.258 99 R HN 0.199 nan 8.270 nan 0.000 0.650 100 P HA -0.008 nan 4.420 nan 0.000 0.269 100 P C 0.835 178.127 177.300 -0.013 0.000 1.209 100 P CA 0.898 63.994 63.100 -0.006 0.000 0.776 100 P CB 0.986 32.686 31.700 -0.000 0.000 0.876 101 G N 1.580 110.364 108.800 -0.027 0.000 2.176 101 G HA2 -0.220 3.839 3.960 0.165 0.000 0.253 101 G HA3 -0.220 3.839 3.960 0.165 0.000 0.253 101 G C -0.168 174.718 174.900 -0.023 0.000 0.979 101 G CA -0.142 44.937 45.100 -0.035 0.000 0.641 101 G HN 0.616 nan 8.290 nan 0.000 0.530 102 E N 1.014 121.209 120.200 -0.009 0.000 2.113 102 E HA 0.487 4.936 4.350 0.165 0.000 0.273 102 E C -0.393 176.219 176.600 0.019 0.000 0.924 102 E CA -0.355 56.048 56.400 0.005 0.000 0.764 102 E CB 1.136 30.842 29.700 0.009 0.000 1.104 102 E HN 0.539 nan 8.360 nan 0.000 0.406 103 E N 2.453 122.675 120.200 0.037 0.000 2.183 103 E HA 0.176 4.625 4.350 0.165 0.000 0.271 103 E C -0.796 175.878 176.600 0.124 0.000 0.919 103 E CA -0.627 55.828 56.400 0.092 0.000 0.781 103 E CB 2.063 31.823 29.700 0.099 0.000 1.140 103 E HN 0.313 nan 8.360 nan 0.000 0.402 104 Q N 3.437 123.308 119.800 0.119 0.000 2.368 104 Q HA 0.233 4.672 4.340 0.165 0.000 0.263 104 Q C -0.779 175.234 176.000 0.022 0.000 1.009 104 Q CA -0.735 55.110 55.803 0.069 0.000 0.818 104 Q CB 1.166 29.918 28.738 0.024 0.000 1.239 104 Q HN 0.401 nan 8.270 nan 0.000 0.464 105 R N 3.941 124.409 120.500 -0.052 0.000 2.537 105 R HA 0.139 4.577 4.340 0.165 0.000 0.280 105 R C -0.606 175.513 176.300 -0.302 0.000 1.058 105 R CA -0.049 55.791 56.100 -0.435 0.000 1.057 105 R CB 0.423 30.452 30.300 -0.451 0.000 0.973 105 R HN 0.653 nan 8.270 nan 0.000 0.438 106 L N 5.781 126.785 121.223 -0.366 0.000 2.375 106 L HA 0.115 4.554 4.340 0.165 0.000 0.276 106 L C 0.944 177.689 176.870 -0.208 0.000 1.162 106 L CA -0.189 54.517 54.840 -0.223 0.000 0.991 106 L CB 0.823 42.762 42.059 -0.200 0.000 1.315 106 L HN 0.726 nan 8.230 nan 0.000 0.431 107 E N 1.934 122.042 120.200 -0.153 0.000 2.338 107 E HA -0.137 4.312 4.350 0.165 0.000 0.197 107 E C 1.930 178.476 176.600 -0.089 0.000 1.007 107 E CA 0.905 57.230 56.400 -0.124 0.000 0.849 107 E CB 0.336 29.985 29.700 -0.086 0.000 0.774 107 E HN 0.766 nan 8.360 nan 0.000 0.506 108 A N 1.143 123.921 122.820 -0.071 0.000 2.121 108 A HA -0.020 4.398 4.320 0.165 0.000 0.218 108 A C 1.354 178.910 177.584 -0.048 0.000 1.154 108 A CA 0.404 52.416 52.037 -0.041 0.000 0.679 108 A CB 0.146 19.138 19.000 -0.014 0.000 0.795 108 A HN 0.028 nan 8.150 nan 0.000 0.458 109 V N 2.629 122.493 119.914 -0.084 0.000 2.318 109 V HA 0.162 4.380 4.120 0.165 0.000 0.271 109 V C 0.405 176.430 176.094 -0.116 0.000 1.030 109 V CA -0.946 61.293 62.300 -0.101 0.000 0.844 109 V CB 0.569 32.297 31.823 -0.157 0.000 1.015 109 V HN 0.616 nan 8.190 nan 0.000 0.460 110 K N 5.405 125.753 120.400 -0.087 0.000 2.336 110 K HA 0.304 4.723 4.320 0.165 0.000 0.262 110 K C -2.589 173.973 176.600 -0.065 0.000 0.992 110 K CA -1.292 54.954 56.287 -0.068 0.000 0.927 110 K CB 0.008 32.482 32.500 -0.044 0.000 0.956 110 K HN 0.293 nan 8.250 nan 0.000 0.495 111 P HA -0.036 nan 4.420 nan 0.000 0.265 111 P C -0.678 176.614 177.300 -0.014 0.000 1.193 111 P CA 0.323 63.406 63.100 -0.027 0.000 0.765 111 P CB 0.470 32.159 31.700 -0.019 0.000 0.823 112 M N -0.245 119.362 119.600 0.011 0.000 2.880 112 M HA 0.461 5.040 4.480 0.165 0.000 0.269 112 M C -0.908 175.444 176.300 0.087 0.000 1.248 112 M CA -1.222 54.102 55.300 0.040 0.000 0.821 112 M CB 2.181 34.816 32.600 0.059 0.000 1.650 112 M HN -0.085 nan 8.290 nan 0.000 0.479 113 R N 1.948 122.515 120.500 0.111 0.000 2.309 113 R HA 0.355 4.794 4.340 0.165 0.000 0.331 113 R C -0.980 175.507 176.300 0.313 0.000 1.116 113 R CA -0.373 55.858 56.100 0.217 0.000 0.970 113 R CB 0.140 30.549 30.300 0.182 0.000 1.024 113 R HN 0.602 nan 8.270 nan 0.000 0.472 114 I N 7.173 128.025 120.570 0.470 0.000 2.452 114 I HA -0.051 4.218 4.170 0.165 0.000 0.287 114 I C 1.223 177.474 176.117 0.223 0.000 1.079 114 I CA 0.228 61.688 61.300 0.267 0.000 1.387 114 I CB 1.120 39.167 38.000 0.079 0.000 1.404 114 I HN 0.774 nan 8.210 nan 0.000 0.522 115 L N 4.888 126.253 121.223 0.236 0.000 2.357 115 L HA 0.084 4.522 4.340 0.165 0.000 0.211 115 L C 0.742 177.828 176.870 0.360 0.000 1.075 115 L CA 0.429 55.426 54.840 0.263 0.000 0.830 115 L CB -0.049 42.043 42.059 0.055 0.000 0.996 115 L HN 0.813 nan 8.230 nan 0.000 0.467 116 S N -1.586 114.301 115.700 0.312 0.000 2.636 116 S HA 0.776 5.345 4.470 0.165 0.000 0.266 116 S C -0.688 174.092 174.600 0.301 0.000 1.147 116 S CA -0.187 58.213 58.200 0.334 0.000 0.815 116 S CB 1.804 65.276 63.200 0.454 0.000 1.119 116 S HN 0.155 nan 8.310 nan 0.000 0.470 117 G N -0.547 108.409 108.800 0.259 0.000 2.411 117 G HA2 0.535 4.594 3.960 0.165 0.000 0.295 117 G HA3 0.535 4.594 3.960 0.165 0.000 0.295 117 G C -2.143 172.873 174.900 0.193 0.000 1.542 117 G CA -0.227 45.029 45.100 0.262 0.000 0.814 117 G HN 1.351 nan 8.290 nan 0.000 0.557 118 V N 0.649 120.671 119.914 0.179 0.000 2.709 118 V HA 0.633 4.852 4.120 0.165 0.000 0.308 118 V C -1.254 174.881 176.094 0.067 0.000 1.062 118 V CA -0.658 61.718 62.300 0.126 0.000 0.901 118 V CB 2.098 34.000 31.823 0.132 0.000 1.003 118 V HN 0.833 nan 8.190 nan 0.000 0.425 119 D N 2.145 122.557 120.400 0.020 0.000 2.381 119 D HA 0.321 5.059 4.640 0.165 0.000 0.235 119 D C 1.078 177.283 176.300 -0.157 0.000 1.068 119 D CA 0.039 54.024 54.000 -0.024 0.000 0.832 119 D CB 2.089 42.898 40.800 0.014 0.000 1.101 119 D HN 0.681 nan 8.370 nan 0.000 0.515 120 T N 0.757 115.161 114.554 -0.251 0.000 3.088 120 T HA 0.248 4.697 4.350 0.165 0.000 0.259 120 T C 1.535 176.176 174.700 -0.099 0.000 1.122 120 T CA 0.702 62.546 62.100 -0.427 0.000 1.095 120 T CB -0.002 68.677 68.868 -0.315 0.000 0.930 120 T HN 0.653 nan 8.240 nan 0.000 0.508 121 G N 0.851 109.633 108.800 -0.031 0.000 2.241 121 G HA2 -0.258 3.801 3.960 0.165 0.000 0.244 121 G HA3 -0.258 3.801 3.960 0.165 0.000 0.244 121 G C 0.675 175.587 174.900 0.020 0.000 0.998 121 G CA 0.451 45.564 45.100 0.021 0.000 0.621 121 G HN 0.553 nan 8.290 nan 0.000 0.519 122 E N -0.093 120.112 120.200 0.009 0.000 2.508 122 E HA 0.567 5.016 4.350 0.165 0.000 0.217 122 E C 0.599 177.211 176.600 0.019 0.000 0.896 122 E CA 0.934 57.345 56.400 0.018 0.000 1.118 122 E CB 0.902 30.616 29.700 0.024 0.000 1.133 122 E HN 1.128 nan 8.360 nan 0.000 0.526 123 A N 0.907 123.734 122.820 0.011 0.000 2.488 123 A HA 0.548 4.967 4.320 0.165 0.000 0.298 123 A C -1.117 176.492 177.584 0.042 0.000 1.044 123 A CA -0.525 51.531 52.037 0.032 0.000 0.693 123 A CB 1.823 20.840 19.000 0.029 0.000 1.272 123 A HN -0.047 nan 8.150 nan 0.000 0.402 124 V N 2.667 122.638 119.914 0.095 0.000 2.350 124 V HA 0.441 4.660 4.120 0.165 0.000 0.276 124 V C -0.311 175.943 176.094 0.267 0.000 1.028 124 V CA -0.382 62.009 62.300 0.153 0.000 0.860 124 V CB 1.155 33.060 31.823 0.137 0.000 0.990 124 V HN 0.633 nan 8.190 nan 0.000 0.453 125 V N 7.123 127.183 119.914 0.242 0.000 2.448 125 V HA 0.687 4.906 4.120 0.165 0.000 0.295 125 V C -0.438 175.859 176.094 0.339 0.000 1.025 125 V CA -0.483 61.948 62.300 0.219 0.000 0.859 125 V CB 1.215 33.111 31.823 0.122 0.000 0.988 125 V HN 0.809 nan 8.190 nan 0.000 0.431 126 F N 1.561 121.606 119.950 0.159 0.000 2.662 126 F HA 0.874 5.500 4.527 0.165 0.000 0.312 126 F C -0.185 175.748 175.800 0.222 0.000 1.113 126 F CA -0.875 57.229 58.000 0.173 0.000 0.951 126 F CB 1.752 40.832 39.000 0.133 0.000 1.344 126 F HN 0.422 nan 8.300 nan 0.000 0.462 127 T N -0.874 113.872 114.554 0.320 0.000 2.895 127 T HA 0.880 5.329 4.350 0.165 0.000 0.283 127 T C -0.334 174.564 174.700 0.331 0.000 1.014 127 T CA -0.432 61.787 62.100 0.198 0.000 1.037 127 T CB 1.431 70.351 68.868 0.087 0.000 1.006 127 T HN 1.371 nan 8.240 nan 0.000 0.468 128 G N -0.126 108.854 108.800 0.301 0.000 2.718 128 G HA2 0.702 4.761 3.960 0.165 0.000 0.295 128 G HA3 0.702 4.761 3.960 0.165 0.000 0.295 128 G C -1.420 173.577 174.900 0.161 0.000 1.421 128 G CA -0.787 44.493 45.100 0.301 0.000 0.902 128 G HN 1.060 nan 8.290 nan 0.000 0.501 129 A N 0.673 123.540 122.820 0.077 0.000 2.318 129 A HA 0.926 5.345 4.320 0.165 0.000 0.324 129 A C 0.477 178.081 177.584 0.033 0.000 1.170 129 A CA 0.067 52.094 52.037 -0.017 0.000 0.810 129 A CB 1.237 20.142 19.000 -0.158 0.000 1.198 129 A HN 1.578 nan 8.150 nan 0.000 0.484 130 T N -1.776 112.791 114.554 0.021 0.000 2.807 130 T HA 0.455 4.903 4.350 0.165 0.000 0.277 130 T C 0.951 175.648 174.700 -0.004 0.000 1.006 130 T CA 0.329 62.442 62.100 0.023 0.000 1.006 130 T CB 1.146 70.039 68.868 0.041 0.000 1.274 130 T HN 0.592 nan 8.240 nan 0.000 0.569 131 E N 0.587 120.785 120.200 -0.003 0.000 2.118 131 E HA -0.181 4.268 4.350 0.165 0.000 0.195 131 E C 1.403 177.986 176.600 -0.029 0.000 0.992 131 E CA 2.127 58.518 56.400 -0.015 0.000 0.804 131 E CB -0.862 28.830 29.700 -0.013 0.000 0.741 131 E HN 0.853 nan 8.360 nan 0.000 0.458 132 D N -0.915 119.470 120.400 -0.025 0.000 2.407 132 D HA 0.043 4.781 4.640 0.165 0.000 0.208 132 D C 0.913 177.185 176.300 -0.047 0.000 1.083 132 D CA -0.085 53.895 54.000 -0.033 0.000 0.844 132 D CB -0.096 40.689 40.800 -0.024 0.000 0.967 132 D HN 0.495 nan 8.370 nan 0.000 0.506 133 R N -1.075 119.395 120.500 -0.050 0.000 2.716 133 R HA 0.578 5.017 4.340 0.165 0.000 0.271 133 R C -2.023 174.221 176.300 -0.093 0.000 1.028 133 R CA -0.920 55.133 56.100 -0.078 0.000 0.883 133 R CB 1.055 31.309 30.300 -0.077 0.000 1.250 133 R HN -0.169 nan 8.270 nan 0.000 0.465 134 V N 0.708 120.538 119.914 -0.139 0.000 2.483 134 V HA 0.858 5.077 4.120 0.165 0.000 0.295 134 V C -0.260 175.716 176.094 -0.197 0.000 1.035 134 V CA -0.282 61.923 62.300 -0.158 0.000 0.896 134 V CB 1.232 32.931 31.823 -0.206 0.000 0.986 134 V HN 0.982 nan 8.190 nan 0.000 0.447 135 A N 4.064 126.752 122.820 -0.221 0.000 2.539 135 A HA 0.866 5.285 4.320 0.165 0.000 0.296 135 A C -1.537 175.724 177.584 -0.537 0.000 1.073 135 A CA -0.627 51.127 52.037 -0.472 0.000 0.700 135 A CB 1.736 20.290 19.000 -0.744 0.000 1.296 135 A HN 0.844 nan 8.150 nan 0.000 0.405 136 L N 1.391 122.276 121.223 -0.564 0.000 2.272 136 L HA 0.731 5.170 4.340 0.165 0.000 0.289 136 L C -1.553 174.955 176.870 -0.602 0.000 1.032 136 L CA -0.049 54.544 54.840 -0.410 0.000 0.810 136 L CB 0.267 42.191 42.059 -0.226 0.000 1.205 136 L HN 0.602 nan 8.230 nan 0.000 0.422 137 Y N 3.549 123.560 120.300 -0.482 0.000 2.509 137 Y HA 0.797 5.446 4.550 0.164 0.000 0.341 137 Y C 0.124 175.760 175.900 -0.441 0.000 1.038 137 Y CA -0.723 57.025 58.100 -0.588 0.000 1.089 137 Y CB 2.117 39.882 38.460 -1.158 0.000 1.241 137 Y HN 0.708 nan 8.280 nan 0.000 0.468 138 A N 2.917 125.709 122.820 -0.046 0.000 2.330 138 A HA 0.742 5.161 4.320 0.165 0.000 0.313 138 A C -1.992 175.656 177.584 0.106 0.000 1.124 138 A CA -0.590 51.468 52.037 0.036 0.000 0.774 138 A CB 1.060 20.076 19.000 0.026 0.000 1.198 138 A HN 0.652 nan 8.150 nan 0.000 0.465 139 L N 2.003 123.329 121.223 0.172 0.000 2.365 139 L HA 0.834 5.272 4.340 0.165 0.000 0.273 139 L C -1.005 175.925 176.870 0.101 0.000 1.000 139 L CA -0.092 54.845 54.840 0.162 0.000 0.819 139 L CB 1.877 44.080 42.059 0.240 0.000 1.284 139 L HN 0.775 nan 8.230 nan 0.000 0.418 140 D N 1.900 122.341 120.400 0.067 0.000 2.592 140 D HA 0.405 5.144 4.640 0.165 0.000 0.263 140 D C 0.896 177.215 176.300 0.032 0.000 1.132 140 D CA 0.111 54.137 54.000 0.045 0.000 0.996 140 D CB 2.220 43.045 40.800 0.041 0.000 1.442 140 D HN 0.597 nan 8.370 nan 0.000 0.486 141 G N -0.322 108.492 108.800 0.024 0.000 2.485 141 G HA2 -0.170 3.889 3.960 0.165 0.000 0.221 141 G HA3 -0.170 3.889 3.960 0.165 0.000 0.221 141 G C 1.150 176.058 174.900 0.015 0.000 1.115 141 G CA 1.248 46.358 45.100 0.016 0.000 0.751 141 G HN 0.490 nan 8.290 nan 0.000 0.567 142 G N -0.596 108.216 108.800 0.018 0.000 2.453 142 G HA2 0.444 4.503 3.960 0.165 0.000 0.215 142 G HA3 0.444 4.503 3.960 0.165 0.000 0.215 142 G C 0.712 175.623 174.900 0.018 0.000 1.147 142 G CA 0.888 45.998 45.100 0.017 0.000 0.802 142 G HN 1.226 nan 8.290 nan 0.000 0.535 143 G N -1.321 107.494 108.800 0.025 0.000 2.359 143 G HA2 0.368 4.426 3.960 0.165 0.000 0.293 143 G HA3 0.368 4.426 3.960 0.165 0.000 0.293 143 G C -1.967 172.962 174.900 0.048 0.000 1.300 143 G CA -0.493 44.624 45.100 0.029 0.000 0.888 143 G HN 0.675 nan 8.290 nan 0.000 0.541 144 L N 0.345 121.601 121.223 0.054 0.000 2.289 144 L HA 0.872 5.310 4.340 0.165 0.000 0.285 144 L C 0.319 177.239 176.870 0.085 0.000 1.049 144 L CA -0.554 54.337 54.840 0.085 0.000 0.804 144 L CB 1.075 43.182 42.059 0.081 0.000 1.195 144 L HN 0.597 nan 8.230 nan 0.000 0.428 145 R N 3.540 124.096 120.500 0.092 0.000 2.534 145 R HA 0.333 4.771 4.340 0.165 0.000 0.301 145 R C -0.960 175.375 176.300 0.059 0.000 0.961 145 R CA -0.686 55.450 56.100 0.059 0.000 0.871 145 R CB 1.761 32.073 30.300 0.021 0.000 1.170 145 R HN 0.613 nan 8.270 nan 0.000 0.446 146 E N 4.206 124.405 120.200 -0.001 0.000 2.003 146 E HA 0.040 4.489 4.350 0.165 0.000 0.279 146 E C 0.502 176.983 176.600 -0.197 0.000 1.132 146 E CA -0.103 56.174 56.400 -0.205 0.000 0.888 146 E CB 0.590 30.172 29.700 -0.196 0.000 1.056 146 E HN 0.571 nan 8.360 nan 0.000 0.399 147 L N 3.260 124.348 121.223 -0.225 0.000 2.156 147 L HA 0.099 4.538 4.340 0.165 0.000 0.208 147 L C 0.771 177.538 176.870 -0.171 0.000 1.095 147 L CA 0.766 55.515 54.840 -0.150 0.000 0.770 147 L CB -0.074 41.919 42.059 -0.110 0.000 0.914 147 L HN 0.538 nan 8.230 nan 0.000 0.439 148 A N -0.753 121.913 122.820 -0.256 0.000 2.590 148 A HA 0.523 4.941 4.320 0.165 0.000 0.296 148 A C -1.014 176.374 177.584 -0.326 0.000 1.050 148 A CA -0.793 51.093 52.037 -0.252 0.000 0.697 148 A CB 1.022 19.886 19.000 -0.228 0.000 1.277 148 A HN -0.032 nan 8.150 nan 0.000 0.411 149 R N 0.871 121.199 120.500 -0.286 0.000 2.410 149 R HA 0.618 5.057 4.340 0.165 0.000 0.288 149 R C -0.966 175.129 176.300 -0.341 0.000 1.051 149 R CA -0.383 55.541 56.100 -0.293 0.000 1.021 149 R CB 0.838 31.002 30.300 -0.227 0.000 1.032 149 R HN 0.615 nan 8.270 nan 0.000 0.481 150 L N 3.763 124.777 121.223 -0.350 0.000 2.329 150 L HA 0.368 4.807 4.340 0.165 0.000 0.279 150 L C -1.751 174.859 176.870 -0.433 0.000 1.014 150 L CA -2.091 52.480 54.840 -0.448 0.000 0.814 150 L CB 2.032 43.919 42.059 -0.286 0.000 1.257 150 L HN 0.330 nan 8.230 nan 0.000 0.424 151 P HA 0.213 nan 4.420 nan 0.000 0.235 151 P C 0.128 177.377 177.300 -0.085 0.000 1.725 151 P CA 0.151 62.993 63.100 -0.430 0.000 0.894 151 P CB 0.326 31.716 31.700 -0.517 0.000 1.704 152 G N -0.343 108.513 108.800 0.093 0.000 2.359 152 G HA2 0.085 4.144 3.960 0.165 0.000 0.293 152 G HA3 0.085 4.144 3.960 0.165 0.000 0.293 152 G C -1.415 173.659 174.900 0.291 0.000 1.300 152 G CA -1.065 44.225 45.100 0.317 0.000 0.888 152 G HN -0.068 nan 8.290 nan 0.000 0.541 153 F N 1.076 121.136 119.950 0.184 0.000 2.623 153 F HA 0.405 5.030 4.527 0.163 0.000 0.383 153 F C 1.410 177.242 175.800 0.054 0.000 1.077 153 F CA 2.072 60.060 58.000 -0.020 0.000 1.268 153 F CB 0.941 39.896 39.000 -0.075 0.000 1.053 153 F HN 0.732 nan 8.300 nan 0.000 0.571 154 G N 3.182 111.908 108.800 -0.123 0.000 2.659 154 G HA2 0.684 4.742 3.960 0.165 0.000 0.296 154 G HA3 0.684 4.742 3.960 0.165 0.000 0.296 154 G C -2.060 172.599 174.900 -0.401 0.000 1.369 154 G CA -0.682 44.410 45.100 -0.014 0.000 0.937 154 G HN 0.351 nan 8.290 nan 0.000 0.485 155 F N 0.532 120.773 119.950 0.486 0.000 2.557 155 F HA 0.422 5.048 4.527 0.163 0.000 0.316 155 F C 0.263 176.226 175.800 0.272 0.000 1.141 155 F CA -0.961 57.242 58.000 0.338 0.000 0.922 155 F CB 2.503 41.657 39.000 0.257 0.000 1.194 155 F HN 0.283 nan 8.300 nan 0.000 0.443 156 V N 2.690 122.836 119.914 0.387 0.000 2.521 156 V HA 0.090 4.309 4.120 0.165 0.000 0.286 156 V C 0.438 176.635 176.094 0.172 0.000 1.034 156 V CA 0.471 62.909 62.300 0.230 0.000 1.045 156 V CB 0.963 32.928 31.823 0.236 0.000 0.974 156 V HN 0.999 nan 8.190 nan 0.000 0.480 157 S N 2.194 117.924 115.700 0.050 0.000 2.506 157 S HA 0.146 4.714 4.470 0.165 0.000 0.230 157 S C 0.269 174.918 174.600 0.082 0.000 1.066 157 S CA 0.282 58.513 58.200 0.052 0.000 0.940 157 S CB 0.183 63.354 63.200 -0.049 0.000 0.818 157 S HN 0.928 nan 8.310 nan 0.000 0.518 158 D N -0.954 119.483 120.400 0.061 0.000 2.663 158 D HA 0.468 5.207 4.640 0.165 0.000 0.233 158 D C -1.877 174.494 176.300 0.118 0.000 1.240 158 D CA -0.392 53.674 54.000 0.110 0.000 0.774 158 D CB 1.222 42.059 40.800 0.062 0.000 1.443 158 D HN 0.010 nan 8.370 nan 0.000 0.441 159 I N 1.722 122.421 120.570 0.215 0.000 2.569 159 I HA 0.472 4.741 4.170 0.165 0.000 0.290 159 I C -0.562 175.705 176.117 0.249 0.000 1.088 159 I CA -0.794 60.628 61.300 0.204 0.000 1.047 159 I CB 2.318 40.422 38.000 0.174 0.000 1.237 159 I HN 0.136 nan 8.210 nan 0.000 0.421 160 R N 4.389 124.968 120.500 0.132 0.000 2.502 160 R HA 0.591 5.029 4.340 0.165 0.000 0.298 160 R C 0.335 176.680 176.300 0.074 0.000 1.018 160 R CA 0.337 56.495 56.100 0.096 0.000 0.899 160 R CB 1.691 31.992 30.300 0.002 0.000 1.181 160 R HN 0.928 nan 8.270 nan 0.000 0.444 161 G N 3.639 112.496 108.800 0.095 0.000 2.591 161 G HA2 -0.404 3.654 3.960 0.165 0.000 0.298 161 G HA3 -0.404 3.654 3.960 0.165 0.000 0.298 161 G C 0.393 175.329 174.900 0.061 0.000 1.195 161 G CA 0.639 45.777 45.100 0.064 0.000 0.989 161 G HN 0.671 nan 8.290 nan 0.000 0.551 162 D N -0.299 120.126 120.400 0.042 0.000 2.347 162 D HA 0.226 4.964 4.640 0.165 0.000 0.213 162 D C 1.030 177.356 176.300 0.044 0.000 0.985 162 D CA 0.144 54.167 54.000 0.040 0.000 0.879 162 D CB 0.005 40.823 40.800 0.029 0.000 0.919 162 D HN 0.357 nan 8.370 nan 0.000 0.526 163 L N 1.319 122.567 121.223 0.042 0.000 2.265 163 L HA 0.402 4.841 4.340 0.165 0.000 0.288 163 L C -0.702 176.198 176.870 0.051 0.000 1.058 163 L CA -0.209 54.656 54.840 0.040 0.000 0.809 163 L CB 0.747 42.815 42.059 0.016 0.000 1.179 163 L HN -0.104 nan 8.230 nan 0.000 0.429 164 I N 5.215 125.823 120.570 0.063 0.000 2.377 164 I HA 0.646 4.915 4.170 0.165 0.000 0.293 164 I C 0.005 176.134 176.117 0.020 0.000 0.987 164 I CA -0.454 60.886 61.300 0.067 0.000 1.185 164 I CB 1.632 39.699 38.000 0.113 0.000 1.341 164 I HN 0.764 nan 8.210 nan 0.000 0.455 165 A N 4.385 127.168 122.820 -0.063 0.000 2.365 165 A HA 0.973 5.392 4.320 0.165 0.000 0.318 165 A C -0.205 177.131 177.584 -0.412 0.000 1.091 165 A CA -0.416 51.492 52.037 -0.215 0.000 0.763 165 A CB 1.619 20.512 19.000 -0.179 0.000 1.248 165 A HN 0.851 nan 8.150 nan 0.000 0.442 166 G N -0.327 107.923 108.800 -0.918 0.000 2.663 166 G HA2 0.596 4.655 3.960 0.165 0.000 0.299 166 G HA3 0.596 4.655 3.960 0.165 0.000 0.299 166 G C -1.757 172.608 174.900 -0.892 0.000 1.372 166 G CA -0.659 43.798 45.100 -1.071 0.000 0.781 166 G HN 0.752 nan 8.290 nan 0.000 0.491 167 L N -0.063 120.997 121.223 -0.272 0.000 2.386 167 L HA 0.773 5.212 4.340 0.165 0.000 0.271 167 L C 0.247 177.277 176.870 0.268 0.000 0.993 167 L CA -0.827 54.027 54.840 0.023 0.000 0.819 167 L CB 2.523 44.627 42.059 0.075 0.000 1.294 167 L HN 0.794 nan 8.230 nan 0.000 0.414 168 G N 1.151 109.874 108.800 -0.128 0.000 2.643 168 G HA2 0.591 4.650 3.960 0.165 0.000 0.305 168 G HA3 0.591 4.650 3.960 0.165 0.000 0.305 168 G C -1.220 173.201 174.900 -0.798 0.000 1.387 168 G CA -0.343 44.301 45.100 -0.761 0.000 0.982 168 G HN 0.298 nan 8.290 nan 0.000 0.501 169 F N 2.780 122.609 119.950 -0.203 0.000 2.605 169 F HA 0.317 4.944 4.527 0.167 0.000 0.352 169 F C 0.817 176.792 175.800 0.292 0.000 1.236 169 F CA -0.669 57.404 58.000 0.122 0.000 1.267 169 F CB -0.064 39.169 39.000 0.389 0.000 1.632 169 F HN 0.489 nan 8.300 nan 0.000 0.639 170 F N 0.498 120.611 119.950 0.272 0.000 2.727 170 F HA 0.423 5.048 4.527 0.164 0.000 0.302 170 F C 1.254 177.151 175.800 0.161 0.000 1.097 170 F CA -0.308 57.807 58.000 0.191 0.000 1.330 170 F CB 0.519 39.593 39.000 0.122 0.000 1.084 170 F HN 0.378 nan 8.300 nan 0.000 0.578 171 G N -1.175 107.822 108.800 0.328 0.000 2.402 171 G HA2 0.359 4.418 3.960 0.165 0.000 0.301 171 G HA3 0.359 4.418 3.960 0.165 0.000 0.301 171 G C 0.205 175.212 174.900 0.177 0.000 1.615 171 G CA -0.238 44.998 45.100 0.227 0.000 0.889 171 G HN 0.281 nan 8.290 nan 0.000 0.647 172 G N -0.660 108.224 108.800 0.141 0.000 2.187 172 G HA2 0.246 4.305 3.960 0.165 0.000 0.261 172 G HA3 0.246 4.305 3.960 0.165 0.000 0.261 172 G C 2.032 177.012 174.900 0.132 0.000 1.000 172 G CA 1.520 46.683 45.100 0.105 0.000 0.718 172 G HN 2.893 nan 8.290 nan 0.000 0.519 173 G N -1.607 107.328 108.800 0.224 0.000 2.184 173 G HA2 -0.316 3.743 3.960 0.165 0.000 0.264 173 G HA3 -0.316 3.743 3.960 0.165 0.000 0.264 173 G C 0.492 175.466 174.900 0.124 0.000 0.975 173 G CA 1.161 46.454 45.100 0.321 0.000 0.642 173 G HN 1.005 nan 8.290 nan 0.000 0.536 174 R N -0.569 119.969 120.500 0.065 0.000 2.500 174 R HA 0.544 4.983 4.340 0.165 0.000 0.275 174 R C -0.055 176.126 176.300 -0.199 0.000 1.051 174 R CA -0.514 55.549 56.100 -0.062 0.000 1.088 174 R CB 1.552 31.844 30.300 -0.012 0.000 1.063 174 R HN 0.075 nan 8.270 nan 0.000 0.511 175 V N 2.058 121.782 119.914 -0.317 0.000 2.370 175 V HA 0.217 4.436 4.120 0.165 0.000 0.283 175 V C -0.072 175.963 176.094 -0.097 0.000 1.023 175 V CA -0.444 61.580 62.300 -0.460 0.000 0.857 175 V CB 1.597 33.060 31.823 -0.601 0.000 0.985 175 V HN 0.762 nan 8.190 nan 0.000 0.443 176 S N 4.299 119.941 115.700 -0.098 0.000 2.654 176 S HA 0.679 5.248 4.470 0.165 0.000 0.283 176 S C -0.392 174.268 174.600 0.098 0.000 1.180 176 S CA -0.466 57.824 58.200 0.149 0.000 1.021 176 S CB 1.690 64.977 63.200 0.145 0.000 1.018 176 S HN 0.565 nan 8.310 nan 0.000 0.532 177 L N 2.907 124.137 121.223 0.012 0.000 2.399 177 L HA 0.702 5.141 4.340 0.165 0.000 0.266 177 L C -0.879 176.138 176.870 0.244 0.000 1.114 177 L CA -0.134 54.594 54.840 -0.187 0.000 0.804 177 L CB 0.311 41.909 42.059 -0.768 0.000 1.146 177 L HN 0.628 nan 8.230 nan 0.000 0.451 178 F N 0.750 120.789 119.950 0.148 0.000 2.599 178 F HA 0.868 5.494 4.527 0.164 0.000 0.311 178 F C -0.650 175.284 175.800 0.224 0.000 1.076 178 F CA -0.479 57.673 58.000 0.253 0.000 0.937 178 F CB 1.319 40.476 39.000 0.262 0.000 1.282 178 F HN 0.602 nan 8.300 nan 0.000 0.460 179 T N -0.562 114.301 114.554 0.515 0.000 2.916 179 T HA 0.794 5.243 4.350 0.165 0.000 0.292 179 T C -0.902 173.997 174.700 0.332 0.000 1.055 179 T CA -0.629 61.673 62.100 0.337 0.000 1.009 179 T CB 1.625 70.660 68.868 0.278 0.000 1.118 179 T HN 1.035 nan 8.240 nan 0.000 0.497 180 S N 0.157 115.997 115.700 0.234 0.000 2.776 180 S HA 0.642 5.210 4.470 0.165 0.000 0.292 180 S C -1.749 172.911 174.600 0.100 0.000 1.187 180 S CA -0.935 57.355 58.200 0.150 0.000 0.834 180 S CB 1.359 64.647 63.200 0.147 0.000 1.199 180 S HN 0.881 nan 8.310 nan 0.000 0.514 181 N N 0.812 119.550 118.700 0.063 0.000 2.295 181 N HA 0.437 5.276 4.740 0.165 0.000 0.293 181 N C 0.574 176.105 175.510 0.035 0.000 1.040 181 N CA -0.458 52.620 53.050 0.047 0.000 0.840 181 N CB 1.714 40.222 38.487 0.035 0.000 1.468 181 N HN 0.472 nan 8.380 nan 0.000 0.478 182 L N 1.317 122.563 121.223 0.037 0.000 2.083 182 L HA -0.192 4.247 4.340 0.165 0.000 0.209 182 L C 2.285 179.168 176.870 0.021 0.000 1.083 182 L CA 1.413 56.271 54.840 0.030 0.000 0.752 182 L CB -0.152 41.928 42.059 0.035 0.000 0.899 182 L HN 0.675 nan 8.230 nan 0.000 0.433 183 S N -2.084 113.628 115.700 0.020 0.000 2.395 183 S HA -0.092 4.476 4.470 0.165 0.000 0.225 183 S C 1.712 176.317 174.600 0.008 0.000 1.027 183 S CA 0.843 59.051 58.200 0.015 0.000 0.965 183 S CB -0.116 63.093 63.200 0.015 0.000 0.812 183 S HN 0.489 nan 8.310 nan 0.000 0.482 184 S N -0.207 115.498 115.700 0.007 0.000 2.666 184 S HA 0.585 5.153 4.470 0.165 0.000 0.239 184 S C 1.227 175.822 174.600 -0.008 0.000 1.031 184 S CA 0.213 58.413 58.200 -0.000 0.000 1.015 184 S CB -0.213 62.988 63.200 0.002 0.000 0.981 184 S HN 1.304 nan 8.310 nan 0.000 0.547 185 G N 1.366 110.162 108.800 -0.007 0.000 2.564 185 G HA2 0.258 4.317 3.960 0.165 0.000 0.273 185 G HA3 0.258 4.317 3.960 0.165 0.000 0.273 185 G C 0.552 175.440 174.900 -0.020 0.000 1.242 185 G CA -0.097 44.990 45.100 -0.022 0.000 0.951 185 G HN 2.099 nan 8.290 nan 0.000 0.564 186 G N -2.565 106.208 108.800 -0.045 0.000 2.796 186 G HA2 0.407 4.466 3.960 0.165 0.000 0.571 186 G HA3 0.407 4.466 3.960 0.165 0.000 0.571 186 G C -0.764 174.112 174.900 -0.041 0.000 1.370 186 G CA 0.319 45.391 45.100 -0.048 0.000 0.856 186 G HN 2.304 nan 8.290 nan 0.000 0.538 187 L N -0.389 120.804 121.223 -0.050 0.000 2.543 187 L HA 0.840 5.278 4.340 0.165 0.000 0.265 187 L C -0.252 176.588 176.870 -0.050 0.000 0.945 187 L CA -0.587 54.226 54.840 -0.044 0.000 0.869 187 L CB 2.052 44.027 42.059 -0.140 0.000 1.294 187 L HN 1.017 nan 8.230 nan 0.000 0.405 188 R N 3.725 124.219 120.500 -0.010 0.000 2.534 188 R HA 0.869 5.308 4.340 0.165 0.000 0.301 188 R C -1.796 174.364 176.300 -0.234 0.000 0.961 188 R CA -0.593 55.398 56.100 -0.182 0.000 0.871 188 R CB 1.879 32.046 30.300 -0.222 0.000 1.170 188 R HN 0.493 nan 8.270 nan 0.000 0.446 189 V N 5.255 124.963 119.914 -0.343 0.000 2.459 189 V HA 0.527 4.746 4.120 0.165 0.000 0.295 189 V C -0.966 174.886 176.094 -0.403 0.000 1.029 189 V CA -0.587 61.635 62.300 -0.130 0.000 0.874 189 V CB 1.475 33.349 31.823 0.085 0.000 0.985 189 V HN 0.583 nan 8.190 nan 0.000 0.438 190 F N 2.209 122.224 119.950 0.108 0.000 2.477 190 F HA 0.541 5.166 4.527 0.164 0.000 0.335 190 F C 0.157 176.079 175.800 0.203 0.000 1.130 190 F CA -0.748 57.302 58.000 0.084 0.000 0.948 190 F CB 1.431 40.401 39.000 -0.050 0.000 1.154 190 F HN 0.386 nan 8.300 nan 0.000 0.439 191 D N 1.389 122.006 120.400 0.362 0.000 2.256 191 D HA 0.216 4.955 4.640 0.165 0.000 0.246 191 D C -0.688 175.790 176.300 0.297 0.000 1.042 191 D CA -0.246 53.954 54.000 0.332 0.000 0.841 191 D CB 2.420 43.336 40.800 0.194 0.000 1.223 191 D HN 0.402 nan 8.370 nan 0.000 0.470 192 S N 0.232 116.044 115.700 0.186 0.000 2.541 192 S HA 0.455 5.024 4.470 0.165 0.000 0.283 192 S C 1.178 175.769 174.600 -0.015 0.000 1.196 192 S CA -0.554 57.649 58.200 0.006 0.000 1.062 192 S CB 1.277 64.293 63.200 -0.307 0.000 1.009 192 S HN 0.499 nan 8.310 nan 0.000 0.502 193 G N 2.469 111.268 108.800 -0.001 0.000 2.813 193 G HA2 0.071 4.130 3.960 0.165 0.000 0.209 193 G HA3 0.071 4.130 3.960 0.165 0.000 0.209 193 G C 0.948 175.830 174.900 -0.031 0.000 1.150 193 G CA 0.007 45.104 45.100 -0.005 0.000 0.785 193 G HN 0.781 nan 8.290 nan 0.000 0.535 194 E N -0.758 119.404 120.200 -0.063 0.000 2.340 194 E HA 0.329 4.778 4.350 0.165 0.000 0.194 194 E C 1.360 177.900 176.600 -0.101 0.000 0.996 194 E CA 0.390 56.745 56.400 -0.074 0.000 0.869 194 E CB 0.543 30.192 29.700 -0.085 0.000 0.835 194 E HN 0.396 nan 8.360 nan 0.000 0.493 195 G N -0.150 108.561 108.800 -0.148 0.000 2.452 195 G HA2 0.092 4.151 3.960 0.165 0.000 0.224 195 G HA3 0.092 4.151 3.960 0.165 0.000 0.224 195 G C -1.204 173.545 174.900 -0.252 0.000 1.208 195 G CA -0.629 44.371 45.100 -0.167 0.000 0.946 195 G HN -0.015 nan 8.290 nan 0.000 0.481 196 S N -0.360 115.174 115.700 -0.276 0.000 2.500 196 S HA 0.721 5.290 4.470 0.165 0.000 0.301 196 S C -0.816 173.579 174.600 -0.342 0.000 1.092 196 S CA -0.421 57.610 58.200 -0.281 0.000 1.030 196 S CB 1.033 64.107 63.200 -0.211 0.000 1.031 196 S HN 0.428 nan 8.310 nan 0.000 0.483 197 F N 1.548 121.430 119.950 -0.114 0.000 2.459 197 F HA 0.237 4.863 4.527 0.164 0.000 0.346 197 F C 1.730 177.455 175.800 -0.125 0.000 1.128 197 F CA 0.220 58.156 58.000 -0.107 0.000 1.268 197 F CB 0.993 39.933 39.000 -0.100 0.000 1.161 197 F HN 0.635 nan 8.300 nan 0.000 0.583 198 S N 0.153 115.905 115.700 0.087 0.000 2.665 198 S HA 0.286 4.855 4.470 0.165 0.000 0.240 198 S C 0.036 174.643 174.600 0.013 0.000 1.081 198 S CA 0.299 58.511 58.200 0.020 0.000 0.887 198 S CB 0.103 63.307 63.200 0.007 0.000 0.805 198 S HN 0.558 nan 8.310 nan 0.000 0.486 199 S N -0.083 115.612 115.700 -0.008 0.000 2.625 199 S HA 0.862 5.430 4.470 0.165 0.000 0.271 199 S C -1.362 173.169 174.600 -0.114 0.000 1.161 199 S CA -0.370 57.788 58.200 -0.070 0.000 0.820 199 S CB 1.661 64.780 63.200 -0.136 0.000 1.137 199 S HN 0.771 nan 8.310 nan 0.000 0.470 200 A N 0.643 123.364 122.820 -0.165 0.000 2.547 200 A HA 0.905 5.324 4.320 0.165 0.000 0.297 200 A C -0.939 176.543 177.584 -0.169 0.000 1.056 200 A CA -0.624 51.310 52.037 -0.171 0.000 0.688 200 A CB 1.850 20.737 19.000 -0.188 0.000 1.282 200 A HN 0.792 nan 8.150 nan 0.000 0.400 201 S N 0.731 116.357 115.700 -0.122 0.000 2.533 201 S HA 0.645 5.214 4.470 0.165 0.000 0.271 201 S C -1.281 173.370 174.600 0.084 0.000 1.143 201 S CA -0.453 57.736 58.200 -0.018 0.000 0.891 201 S CB 0.724 63.894 63.200 -0.050 0.000 1.105 201 S HN 0.636 nan 8.310 nan 0.000 0.468 202 I N 4.122 124.719 120.570 0.045 0.000 2.325 202 I HA 0.256 4.524 4.170 0.165 0.000 0.291 202 I C 0.896 176.864 176.117 -0.248 0.000 1.019 202 I CA -0.264 60.998 61.300 -0.064 0.000 1.302 202 I CB 1.480 39.443 38.000 -0.062 0.000 1.401 202 I HN 0.712 nan 8.210 nan 0.000 0.485 203 S N 6.534 121.971 115.700 -0.438 0.000 2.584 203 S HA 0.200 4.769 4.470 0.165 0.000 0.270 203 S C -1.755 172.532 174.600 -0.523 0.000 1.346 203 S CA -0.935 56.718 58.200 -0.912 0.000 1.018 203 S CB 0.598 63.459 63.200 -0.564 0.000 0.899 203 S HN 0.405 nan 8.310 nan 0.000 0.542 204 P HA 0.015 nan 4.420 nan 0.000 0.217 204 P C 1.359 178.548 177.300 -0.185 0.000 1.148 204 P CA 1.538 64.480 63.100 -0.264 0.000 0.828 204 P CB -0.436 31.134 31.700 -0.217 0.000 0.783 205 G N -1.302 107.384 108.800 -0.189 0.000 2.956 205 G HA2 -0.033 4.025 3.960 0.165 0.000 0.207 205 G HA3 -0.033 4.025 3.960 0.165 0.000 0.207 205 G C 0.553 175.386 174.900 -0.113 0.000 1.162 205 G CA -0.025 44.999 45.100 -0.126 0.000 0.796 205 G HN 0.029 nan 8.290 nan 0.000 0.527 206 M N -0.780 118.740 119.600 -0.134 0.000 2.732 206 M HA -0.120 4.458 4.480 0.165 0.000 0.207 206 M C -0.277 175.961 176.300 -0.103 0.000 0.513 206 M CA 0.863 56.100 55.300 -0.105 0.000 0.652 206 M CB -2.064 30.496 32.600 -0.067 0.000 2.410 206 M HN 0.175 nan 8.290 nan 0.000 0.660 207 K N 0.210 120.535 120.400 -0.125 0.000 2.106 207 K HA 0.746 5.165 4.320 0.165 0.000 0.246 207 K C 0.255 176.776 176.600 -0.132 0.000 0.987 207 K CA -0.631 55.584 56.287 -0.120 0.000 0.904 207 K CB 1.578 34.018 32.500 -0.100 0.000 1.071 207 K HN 0.048 nan 8.250 nan 0.000 0.453 208 V N 2.069 121.886 119.914 -0.162 0.000 2.333 208 V HA 0.150 4.368 4.120 0.165 0.000 0.274 208 V C -0.059 175.957 176.094 -0.130 0.000 1.028 208 V CA -0.612 61.587 62.300 -0.168 0.000 0.851 208 V CB 1.112 32.766 31.823 -0.281 0.000 1.000 208 V HN 0.645 nan 8.190 nan 0.000 0.456 209 T N 5.196 119.725 114.554 -0.041 0.000 2.794 209 T HA 0.645 5.094 4.350 0.165 0.000 0.296 209 T C 0.204 174.846 174.700 -0.096 0.000 0.949 209 T CA -0.008 62.070 62.100 -0.035 0.000 1.101 209 T CB 1.085 69.977 68.868 0.039 0.000 0.905 209 T HN 0.921 nan 8.240 nan 0.000 0.516 210 A N 2.610 125.389 122.820 -0.068 0.000 2.498 210 A HA 0.850 5.268 4.320 0.165 0.000 0.298 210 A C 0.261 177.866 177.584 0.034 0.000 1.075 210 A CA -0.842 51.183 52.037 -0.020 0.000 0.714 210 A CB 1.435 20.456 19.000 0.035 0.000 1.299 210 A HN 0.922 nan 8.150 nan 0.000 0.407 211 G N -0.236 108.581 108.800 0.029 0.000 2.390 211 G HA2 0.527 4.586 3.960 0.165 0.000 0.270 211 G HA3 0.527 4.586 3.960 0.165 0.000 0.270 211 G C -0.936 174.000 174.900 0.059 0.000 1.211 211 G CA -0.127 44.990 45.100 0.029 0.000 0.842 211 G HN 0.936 nan 8.290 nan 0.000 0.519 212 L N 1.327 122.544 121.223 -0.011 0.000 2.343 212 L HA 0.469 4.908 4.340 0.165 0.000 0.278 212 L C -0.201 176.603 176.870 -0.111 0.000 0.996 212 L CA -0.577 54.169 54.840 -0.155 0.000 0.831 212 L CB 1.664 43.599 42.059 -0.206 0.000 1.232 212 L HN 0.577 nan 8.230 nan 0.000 0.413 213 E N 3.508 123.628 120.200 -0.134 0.000 2.081 213 E HA 0.379 4.828 4.350 0.165 0.000 0.281 213 E C -0.170 176.369 176.600 -0.101 0.000 0.986 213 E CA -0.301 56.047 56.400 -0.086 0.000 0.796 213 E CB 0.918 30.579 29.700 -0.065 0.000 1.085 213 E HN 0.745 nan 8.360 nan 0.000 0.398 214 T N -0.728 113.783 114.554 -0.072 0.000 2.893 214 T HA 0.478 4.927 4.350 0.165 0.000 0.281 214 T C 1.479 176.164 174.700 -0.025 0.000 1.027 214 T CA -0.130 61.932 62.100 -0.063 0.000 0.953 214 T CB 1.106 69.938 68.868 -0.061 0.000 1.434 214 T HN 0.296 nan 8.240 nan 0.000 0.597 215 A N 0.639 123.452 122.820 -0.011 0.000 1.915 215 A HA -0.119 4.300 4.320 0.165 0.000 0.220 215 A C 2.233 179.842 177.584 0.043 0.000 1.198 215 A CA 1.852 53.902 52.037 0.020 0.000 0.647 215 A CB -0.702 18.309 19.000 0.018 0.000 0.825 215 A HN 0.823 nan 8.150 nan 0.000 0.456 216 R N -2.145 118.365 120.500 0.017 0.000 2.527 216 R HA 0.393 4.832 4.340 0.165 0.000 0.402 216 R C 0.081 176.372 176.300 -0.014 0.000 0.933 216 R CA 0.740 56.851 56.100 0.018 0.000 1.171 216 R CB 0.828 31.130 30.300 0.005 0.000 1.612 216 R HN 0.550 nan 8.270 nan 0.000 0.546 217 E N 0.308 120.491 120.200 -0.028 0.000 2.454 217 E HA 0.831 5.279 4.350 0.165 0.000 0.279 217 E C -1.811 174.762 176.600 -0.045 0.000 1.029 217 E CA -0.385 55.982 56.400 -0.055 0.000 0.831 217 E CB 1.427 31.084 29.700 -0.071 0.000 1.405 217 E HN 0.142 nan 8.360 nan 0.000 0.463 218 A N 0.292 123.083 122.820 -0.049 0.000 2.454 218 A HA 0.991 5.409 4.320 0.165 0.000 0.302 218 A C -0.118 177.480 177.584 0.023 0.000 1.079 218 A CA -0.046 51.986 52.037 -0.008 0.000 0.731 218 A CB 1.217 20.233 19.000 0.028 0.000 1.299 218 A HN 1.279 nan 8.150 nan 0.000 0.413 219 R N 0.273 120.819 120.500 0.076 0.000 2.810 219 R HA 0.802 5.241 4.340 0.165 0.000 0.266 219 R C -1.907 174.478 176.300 0.141 0.000 1.061 219 R CA -0.914 55.285 56.100 0.165 0.000 0.943 219 R CB 0.856 31.204 30.300 0.079 0.000 1.237 219 R HN 0.473 nan 8.270 nan 0.000 0.459 220 L N 1.673 122.966 121.223 0.117 0.000 2.317 220 L HA 0.684 5.123 4.340 0.165 0.000 0.281 220 L C -0.239 176.629 176.870 -0.003 0.000 1.024 220 L CA -1.130 53.696 54.840 -0.022 0.000 0.810 220 L CB 1.926 43.865 42.059 -0.199 0.000 1.240 220 L HN 0.593 nan 8.230 nan 0.000 0.427 221 V N -0.825 119.093 119.914 0.007 0.000 3.040 221 V HA 0.665 4.884 4.120 0.165 0.000 0.312 221 V C -0.333 175.762 176.094 0.002 0.000 1.115 221 V CA -0.459 61.855 62.300 0.024 0.000 0.998 221 V CB 2.050 33.919 31.823 0.078 0.000 1.042 221 V HN 0.665 nan 8.190 nan 0.000 0.433 222 T N 2.527 117.076 114.554 -0.009 0.000 2.758 222 T HA 0.638 5.087 4.350 0.165 0.000 0.285 222 T C -0.444 174.218 174.700 -0.063 0.000 0.981 222 T CA -0.251 61.826 62.100 -0.038 0.000 0.965 222 T CB 1.175 70.024 68.868 -0.031 0.000 0.927 222 T HN 0.733 nan 8.240 nan 0.000 0.448 223 V N 3.798 123.628 119.914 -0.139 0.000 2.398 223 V HA 0.328 4.547 4.120 0.165 0.000 0.286 223 V C 0.037 175.986 176.094 -0.242 0.000 1.026 223 V CA -0.964 61.198 62.300 -0.231 0.000 0.868 223 V CB 1.662 33.208 31.823 -0.463 0.000 0.982 223 V HN 0.785 nan 8.190 nan 0.000 0.443 224 D N 7.672 127.974 120.400 -0.164 0.000 2.316 224 D HA 0.257 4.996 4.640 0.165 0.000 0.245 224 D C -1.366 174.862 176.300 -0.121 0.000 1.171 224 D CA -2.089 51.843 54.000 -0.114 0.000 0.856 224 D CB 2.148 42.921 40.800 -0.045 0.000 1.090 224 D HN 0.254 nan 8.370 nan 0.000 0.476 225 P HA -0.074 nan 4.420 nan 0.000 0.233 225 P C 1.119 178.521 177.300 0.169 0.000 1.167 225 P CA 0.244 63.342 63.100 -0.003 0.000 0.770 225 P CB 0.500 32.191 31.700 -0.015 0.000 0.837 226 R N 0.751 121.301 120.500 0.083 0.000 2.093 226 R HA -0.033 4.406 4.340 0.165 0.000 0.224 226 R C 1.574 177.932 176.300 0.096 0.000 1.101 226 R CA 1.794 57.942 56.100 0.080 0.000 0.979 226 R CB -1.534 28.790 30.300 0.039 0.000 0.877 226 R HN 0.529 nan 8.270 nan 0.000 0.441 227 D N -3.076 117.387 120.400 0.104 0.000 2.520 227 D HA 0.188 4.927 4.640 0.165 0.000 0.223 227 D C 1.115 177.506 176.300 0.152 0.000 1.186 227 D CA 0.491 54.552 54.000 0.101 0.000 0.821 227 D CB 0.169 41.004 40.800 0.059 0.000 1.072 227 D HN 0.304 nan 8.370 nan 0.000 0.518 228 G N 0.917 109.862 108.800 0.242 0.000 2.168 228 G HA2 -0.302 3.757 3.960 0.165 0.000 0.263 228 G HA3 -0.302 3.757 3.960 0.165 0.000 0.263 228 G C 0.436 175.436 174.900 0.166 0.000 0.977 228 G CA 0.566 45.871 45.100 0.342 0.000 0.659 228 G HN 0.887 nan 8.290 nan 0.000 0.533 229 S N -1.127 114.624 115.700 0.084 0.000 2.568 229 S HA 0.589 5.157 4.470 0.165 0.000 0.282 229 S C 0.095 174.714 174.600 0.030 0.000 1.338 229 S CA 0.006 58.239 58.200 0.054 0.000 1.045 229 S CB 2.547 65.766 63.200 0.032 0.000 0.873 229 S HN 1.126 nan 8.310 nan 0.000 0.516 230 V N 3.027 122.967 119.914 0.044 0.000 2.638 230 V HA 0.626 4.845 4.120 0.165 0.000 0.306 230 V C -0.231 175.882 176.094 0.031 0.000 1.052 230 V CA -0.707 61.618 62.300 0.041 0.000 0.885 230 V CB 1.452 33.331 31.823 0.094 0.000 0.999 230 V HN 1.107 nan 8.190 nan 0.000 0.424 231 E N 1.675 121.886 120.200 0.018 0.000 2.416 231 E HA 0.575 5.023 4.350 0.165 0.000 0.273 231 E C -1.704 174.903 176.600 0.012 0.000 0.935 231 E CA -1.069 55.339 56.400 0.013 0.000 0.784 231 E CB 2.019 31.722 29.700 0.006 0.000 1.301 231 E HN 0.429 nan 8.360 nan 0.000 0.454 232 D N 1.045 121.452 120.400 0.011 0.000 2.382 232 D HA 0.153 4.891 4.640 0.165 0.000 0.245 232 D C -0.619 175.682 176.300 0.002 0.000 1.120 232 D CA -0.225 53.781 54.000 0.010 0.000 0.890 232 D CB 0.850 41.658 40.800 0.013 0.000 1.201 232 D HN 0.275 nan 8.370 nan 0.000 0.433 233 L N 2.811 124.031 121.223 -0.006 0.000 2.290 233 L HA 0.186 4.625 4.340 0.165 0.000 0.284 233 L C -0.069 176.793 176.870 -0.014 0.000 1.078 233 L CA -0.075 54.754 54.840 -0.019 0.000 0.815 233 L CB 0.644 42.674 42.059 -0.049 0.000 1.162 233 L HN 0.150 nan 8.230 nan 0.000 0.435 234 E N 5.858 126.053 120.200 -0.008 0.000 2.197 234 E HA 0.410 4.859 4.350 0.165 0.000 0.281 234 E C -0.933 175.662 176.600 -0.009 0.000 0.995 234 E CA -0.328 56.072 56.400 -0.001 0.000 0.808 234 E CB 1.829 31.531 29.700 0.004 0.000 1.093 234 E HN 0.593 nan 8.360 nan 0.000 0.394 235 L N 3.679 124.899 121.223 -0.005 0.000 2.322 235 L HA 0.380 4.818 4.340 0.165 0.000 0.269 235 L C -1.301 175.574 176.870 0.010 0.000 1.012 235 L CA -1.763 53.070 54.840 -0.012 0.000 0.815 235 L CB 1.790 43.829 42.059 -0.033 0.000 1.295 235 L HN 0.323 nan 8.230 nan 0.000 0.438 236 P HA 0.004 nan 4.420 nan 0.000 0.245 236 P C 0.091 177.409 177.300 0.029 0.000 1.212 236 P CA 0.402 63.513 63.100 0.018 0.000 0.774 236 P CB 0.612 32.320 31.700 0.014 0.000 0.999 237 S N -0.716 115.008 115.700 0.042 0.000 2.526 237 S HA 0.572 5.140 4.470 0.165 0.000 0.293 237 S C 0.697 175.345 174.600 0.080 0.000 1.092 237 S CA -0.390 57.847 58.200 0.063 0.000 0.980 237 S CB 1.351 64.600 63.200 0.082 0.000 1.048 237 S HN -0.026 nan 8.310 nan 0.000 0.483 238 K N 2.239 122.687 120.400 0.080 0.000 2.417 238 K HA 0.197 4.615 4.320 0.165 0.000 0.196 238 K C 0.815 177.478 176.600 0.104 0.000 1.023 238 K CA 0.590 56.925 56.287 0.080 0.000 1.122 238 K CB -0.667 31.865 32.500 0.053 0.000 0.850 238 K HN 0.738 nan 8.250 nan 0.000 0.521 239 D N 0.099 120.595 120.400 0.160 0.000 2.097 239 D HA -0.126 4.613 4.640 0.165 0.000 0.195 239 D C 1.558 177.987 176.300 0.216 0.000 0.989 239 D CA 1.021 55.165 54.000 0.240 0.000 0.827 239 D CB -0.308 40.700 40.800 0.346 0.000 0.966 239 D HN 0.473 nan 8.370 nan 0.000 0.456 240 F N 2.073 121.933 119.950 -0.149 0.000 2.091 240 F HA -0.283 4.343 4.527 0.164 0.000 0.299 240 F C 2.506 178.133 175.800 -0.289 0.000 1.103 240 F CA 2.291 59.846 58.000 -0.741 0.000 1.228 240 F CB -0.423 38.117 39.000 -0.767 0.000 0.984 240 F HN -0.003 nan 8.300 nan 0.000 0.477 241 S N -0.562 115.051 115.700 -0.144 0.000 2.383 241 S HA -0.160 4.409 4.470 0.165 0.000 0.227 241 S C 1.943 176.448 174.600 -0.160 0.000 1.026 241 S CA 1.188 59.276 58.200 -0.186 0.000 0.981 241 S CB -1.082 62.113 63.200 -0.009 0.000 0.818 241 S HN 0.428 nan 8.310 nan 0.000 0.472 242 S N 0.396 116.066 115.700 -0.050 0.000 2.489 242 S HA 0.049 4.618 4.470 0.165 0.000 0.228 242 S C 1.390 175.997 174.600 0.012 0.000 0.995 242 S CA 0.511 58.703 58.200 -0.013 0.000 0.934 242 S CB -0.698 62.524 63.200 0.036 0.000 0.771 242 S HN 0.658 nan 8.310 nan 0.000 0.522 243 Y N 2.752 122.974 120.300 -0.130 0.000 2.352 243 Y HA 0.046 4.695 4.550 0.164 0.000 0.292 243 Y C 0.616 176.430 175.900 -0.142 0.000 1.136 243 Y CA 0.622 58.680 58.100 -0.070 0.000 1.227 243 Y CB -0.316 38.151 38.460 0.011 0.000 0.991 243 Y HN 0.059 nan 8.280 nan 0.000 0.545 244 R N 0.212 120.528 120.500 -0.307 0.000 3.084 244 R HA -0.147 4.292 4.340 0.165 0.000 0.258 244 R C -2.699 173.346 176.300 -0.426 0.000 0.914 244 R CA 0.312 56.206 56.100 -0.342 0.000 0.646 244 R CB -1.952 28.201 30.300 -0.245 0.000 1.330 244 R HN 0.322 nan 8.270 nan 0.000 0.465 245 P HA 0.005 nan 4.420 nan 0.000 0.272 245 P C 0.770 177.976 177.300 -0.157 0.000 1.230 245 P CA 0.122 63.094 63.100 -0.214 0.000 0.788 245 P CB 0.944 32.641 31.700 -0.006 0.000 0.949 246 T N -1.956 112.532 114.554 -0.111 0.000 3.015 246 T HA 0.486 4.935 4.350 0.165 0.000 0.250 246 T C 0.626 175.298 174.700 -0.047 0.000 1.057 246 T CA 0.150 62.198 62.100 -0.088 0.000 1.066 246 T CB 0.048 68.850 68.868 -0.111 0.000 0.959 246 T HN 0.631 nan 8.240 nan 0.000 0.488 247 A N 0.568 123.380 122.820 -0.014 0.000 2.572 247 A HA 0.754 5.173 4.320 0.165 0.000 0.295 247 A C -1.372 176.265 177.584 0.088 0.000 1.072 247 A CA -0.998 51.050 52.037 0.017 0.000 0.691 247 A CB 1.200 20.191 19.000 -0.016 0.000 1.291 247 A HN 0.387 nan 8.150 nan 0.000 0.404 248 I N 1.562 122.186 120.570 0.089 0.000 2.354 248 I HA 0.287 4.556 4.170 0.165 0.000 0.292 248 I C 0.977 177.164 176.117 0.116 0.000 0.989 248 I CA -0.428 60.949 61.300 0.128 0.000 1.188 248 I CB 2.126 40.186 38.000 0.100 0.000 1.342 248 I HN 0.805 nan 8.210 nan 0.000 0.457 249 T N 4.160 118.813 114.554 0.166 0.000 2.852 249 T HA -0.033 4.416 4.350 0.165 0.000 0.256 249 T C -0.327 174.530 174.700 0.262 0.000 1.038 249 T CA 0.882 63.089 62.100 0.179 0.000 1.141 249 T CB 0.104 69.085 68.868 0.189 0.000 0.869 249 T HN 0.674 nan 8.240 nan 0.000 0.439 250 W N 0.957 122.281 121.300 0.040 0.000 3.298 250 W HA 0.464 5.223 4.660 0.165 0.000 0.302 250 W C -2.650 173.871 176.519 0.003 0.000 1.255 250 W CA -1.382 55.975 57.345 0.019 0.000 1.196 250 W CB 0.790 30.264 29.460 0.023 0.000 1.364 250 W HN 0.126 nan 8.180 nan 0.000 0.566 251 L N 2.830 123.395 121.223 -1.098 0.000 2.469 251 L HA 1.137 5.576 4.340 0.165 0.000 0.256 251 L C -0.479 175.240 176.870 -1.918 0.000 1.006 251 L CA -0.742 53.328 54.840 -1.283 0.000 0.832 251 L CB 1.776 43.453 42.059 -0.637 0.000 1.421 251 L HN 0.864 nan 8.230 nan 0.000 0.410 252 G N -0.404 107.560 108.800 -1.394 0.000 2.691 252 G HA2 0.461 4.520 3.960 0.165 0.000 0.298 252 G HA3 0.461 4.520 3.960 0.165 0.000 0.298 252 G C -2.149 172.519 174.900 -0.386 0.000 1.471 252 G CA -0.638 44.028 45.100 -0.724 0.000 0.912 252 G HN 0.552 nan 8.290 nan 0.000 0.553 253 Y N 1.143 121.373 120.300 -0.117 0.000 2.377 253 Y HA 0.383 5.032 4.550 0.165 0.000 0.330 253 Y C 1.378 177.278 175.900 -0.001 0.000 1.108 253 Y CA -0.064 57.998 58.100 -0.065 0.000 1.308 253 Y CB 0.828 39.237 38.460 -0.085 0.000 1.216 253 Y HN 0.297 nan 8.280 nan 0.000 0.518 254 L N 6.078 127.364 121.223 0.104 0.000 2.456 254 L HA 0.183 4.622 4.340 0.165 0.000 0.257 254 L C -1.319 175.484 176.870 -0.111 0.000 1.162 254 L CA -1.866 52.977 54.840 0.005 0.000 0.808 254 L CB 0.389 42.460 42.059 0.020 0.000 1.136 254 L HN 0.460 nan 8.230 nan 0.000 0.466 255 P HA -0.164 nan 4.420 nan 0.000 0.219 255 P C 0.451 177.660 177.300 -0.151 0.000 1.146 255 P CA 1.060 63.971 63.100 -0.315 0.000 0.808 255 P CB -0.025 31.379 31.700 -0.494 0.000 0.779 256 D N -2.333 118.005 120.400 -0.104 0.000 2.328 256 D HA 0.118 4.857 4.640 0.165 0.000 0.226 256 D C 1.442 177.730 176.300 -0.020 0.000 1.066 256 D CA 0.510 54.478 54.000 -0.053 0.000 0.861 256 D CB -0.835 39.942 40.800 -0.038 0.000 0.912 256 D HN 0.216 nan 8.370 nan 0.000 0.521 257 G N 0.155 108.957 108.800 0.003 0.000 2.217 257 G HA2 -0.323 3.736 3.960 0.165 0.000 0.246 257 G HA3 -0.323 3.736 3.960 0.165 0.000 0.246 257 G C 0.386 175.372 174.900 0.143 0.000 0.990 257 G CA -0.116 45.020 45.100 0.060 0.000 0.627 257 G HN 0.453 nan 8.290 nan 0.000 0.522 258 R N -0.248 120.298 120.500 0.076 0.000 2.643 258 R HA 0.468 4.906 4.340 0.165 0.000 0.270 258 R C -0.038 176.261 176.300 -0.002 0.000 1.061 258 R CA -0.403 55.725 56.100 0.046 0.000 1.107 258 R CB 0.764 31.074 30.300 0.017 0.000 0.999 258 R HN 0.252 nan 8.270 nan 0.000 0.460 259 L N 2.444 123.592 121.223 -0.126 0.000 2.255 259 L HA 0.360 4.798 4.340 0.165 0.000 0.289 259 L C -0.602 176.117 176.870 -0.251 0.000 1.046 259 L CA 0.044 54.634 54.840 -0.416 0.000 0.816 259 L CB 1.074 42.784 42.059 -0.582 0.000 1.197 259 L HN 0.708 nan 8.230 nan 0.000 0.427 260 A N 5.340 128.046 122.820 -0.191 0.000 2.320 260 A HA 0.697 5.115 4.320 0.165 0.000 0.287 260 A C -0.800 176.735 177.584 -0.081 0.000 1.181 260 A CA -0.423 51.612 52.037 -0.002 0.000 0.831 260 A CB 0.632 19.785 19.000 0.255 0.000 1.102 260 A HN 0.546 nan 8.150 nan 0.000 0.513 261 V N 3.503 123.434 119.914 0.027 0.000 2.588 261 V HA 0.395 4.614 4.120 0.165 0.000 0.304 261 V C -0.492 175.771 176.094 0.281 0.000 1.042 261 V CA -0.534 61.786 62.300 0.033 0.000 0.877 261 V CB 1.864 33.581 31.823 -0.177 0.000 0.996 261 V HN 0.634 nan 8.190 nan 0.000 0.425 262 V N 4.105 124.220 119.914 0.335 0.000 2.357 262 V HA 0.873 5.092 4.120 0.165 0.000 0.284 262 V C 0.310 176.607 176.094 0.340 0.000 1.018 262 V CA -0.192 62.316 62.300 0.347 0.000 0.841 262 V CB 1.294 33.325 31.823 0.346 0.000 0.991 262 V HN 1.036 nan 8.190 nan 0.000 0.437 263 A N 6.074 129.139 122.820 0.409 0.000 2.469 263 A HA 1.057 5.476 4.320 0.165 0.000 0.299 263 A C -0.453 177.386 177.584 0.426 0.000 1.098 263 A CA -0.894 51.391 52.037 0.414 0.000 0.737 263 A CB 2.060 21.389 19.000 0.548 0.000 1.312 263 A HN 0.928 nan 8.150 nan 0.000 0.414 264 R N -0.058 120.661 120.500 0.365 0.000 2.764 264 R HA 0.855 5.293 4.340 0.165 0.000 0.270 264 R C -1.196 175.190 176.300 0.143 0.000 1.014 264 R CA -0.941 55.349 56.100 0.316 0.000 0.904 264 R CB 1.655 32.050 30.300 0.158 0.000 1.236 264 R HN 0.999 nan 8.270 nan 0.000 0.466 265 R N 0.012 120.555 120.500 0.072 0.000 2.594 265 R HA 0.301 4.740 4.340 0.165 0.000 0.265 265 R C -1.125 175.160 176.300 -0.026 0.000 1.070 265 R CA -0.913 55.130 56.100 -0.095 0.000 0.909 265 R CB 1.379 31.551 30.300 -0.214 0.000 1.243 265 R HN 0.858 nan 8.270 nan 0.000 0.455 266 E N 0.651 120.814 120.200 -0.061 0.000 2.440 266 E HA -0.259 4.190 4.350 0.165 0.000 0.246 266 E C 0.535 177.267 176.600 0.220 0.000 1.165 266 E CA 1.073 57.571 56.400 0.163 0.000 0.726 266 E CB -1.381 28.455 29.700 0.227 0.000 1.271 266 E HN 1.150 nan 8.360 nan 0.000 0.397 267 G N -0.120 108.745 108.800 0.107 0.000 2.160 267 G HA2 -0.372 3.687 3.960 0.165 0.000 0.251 267 G HA3 -0.372 3.687 3.960 0.165 0.000 0.251 267 G C 0.077 175.037 174.900 0.101 0.000 1.008 267 G CA 0.711 45.905 45.100 0.156 0.000 0.724 267 G HN 0.298 nan 8.290 nan 0.000 0.514 268 R N -0.357 120.217 120.500 0.123 0.000 2.673 268 R HA 0.645 5.083 4.340 0.165 0.000 0.281 268 R C 0.084 176.498 176.300 0.190 0.000 0.991 268 R CA -0.028 56.149 56.100 0.128 0.000 0.896 268 R CB 1.922 32.325 30.300 0.172 0.000 1.201 268 R HN 0.427 nan 8.270 nan 0.000 0.457 269 S N 0.660 116.471 115.700 0.185 0.000 2.718 269 S HA 0.907 5.476 4.470 0.165 0.000 0.300 269 S C -0.649 174.121 174.600 0.283 0.000 1.117 269 S CA -0.765 57.602 58.200 0.278 0.000 1.002 269 S CB 2.194 65.554 63.200 0.267 0.000 1.092 269 S HN 0.686 nan 8.310 nan 0.000 0.542 270 A N 0.436 123.319 122.820 0.105 0.000 2.539 270 A HA 0.749 5.168 4.320 0.165 0.000 0.296 270 A C -1.218 176.141 177.584 -0.375 0.000 1.073 270 A CA -0.783 51.071 52.037 -0.304 0.000 0.700 270 A CB 1.565 20.072 19.000 -0.822 0.000 1.296 270 A HN 0.948 nan 8.150 nan 0.000 0.405 271 V N 1.283 120.806 119.914 -0.651 0.000 2.459 271 V HA 0.655 4.873 4.120 0.165 0.000 0.295 271 V C -1.208 174.485 176.094 -0.668 0.000 1.029 271 V CA -0.207 61.839 62.300 -0.424 0.000 0.874 271 V CB 0.918 32.532 31.823 -0.348 0.000 0.985 271 V HN 0.677 nan 8.190 nan 0.000 0.438 272 F N 4.573 124.502 119.950 -0.036 0.000 2.540 272 F HA 0.650 5.276 4.527 0.164 0.000 0.317 272 F C -0.272 175.498 175.800 -0.049 0.000 1.104 272 F CA -0.814 57.168 58.000 -0.030 0.000 0.913 272 F CB 1.917 40.928 39.000 0.019 0.000 1.170 272 F HN 0.156 nan 8.300 nan 0.000 0.450 273 I N 2.982 123.615 120.570 0.106 0.000 2.382 273 I HA 0.222 4.491 4.170 0.165 0.000 0.286 273 I C -0.288 175.850 176.117 0.035 0.000 1.002 273 I CA -0.683 60.642 61.300 0.041 0.000 1.135 273 I CB 1.234 39.246 38.000 0.019 0.000 1.288 273 I HN 0.622 nan 8.210 nan 0.000 0.448 274 D N 5.594 125.986 120.400 -0.013 0.000 2.737 274 D HA -0.207 4.532 4.640 0.165 0.000 0.233 274 D C 1.325 177.628 176.300 0.004 0.000 1.155 274 D CA 1.698 55.683 54.000 -0.025 0.000 0.667 274 D CB -0.683 40.115 40.800 -0.003 0.000 1.060 274 D HN 1.148 nan 8.370 nan 0.000 0.427 275 G N -0.261 108.556 108.800 0.027 0.000 2.234 275 G HA2 -0.337 3.721 3.960 0.165 0.000 0.235 275 G HA3 -0.337 3.721 3.960 0.165 0.000 0.235 275 G C 0.144 175.205 174.900 0.268 0.000 0.997 275 G CA 0.339 45.498 45.100 0.099 0.000 0.623 275 G HN 0.566 nan 8.290 nan 0.000 0.514 276 E N 0.844 121.171 120.200 0.213 0.000 2.259 276 E HA 0.513 4.961 4.350 0.165 0.000 0.281 276 E C 0.572 177.275 176.600 0.172 0.000 1.027 276 E CA -0.844 55.666 56.400 0.182 0.000 0.838 276 E CB 0.453 30.201 29.700 0.079 0.000 1.066 276 E HN 0.355 nan 8.360 nan 0.000 0.401 277 R N 3.284 123.850 120.500 0.110 0.000 2.401 277 R HA 0.164 4.603 4.340 0.165 0.000 0.299 277 R C -1.072 175.099 176.300 -0.214 0.000 1.064 277 R CA -0.298 55.644 56.100 -0.262 0.000 1.000 277 R CB 0.616 30.756 30.300 -0.265 0.000 0.973 277 R HN 0.293 nan 8.270 nan 0.000 0.438 278 V N 4.578 124.312 119.914 -0.300 0.000 2.435 278 V HA 0.128 4.347 4.120 0.165 0.000 0.290 278 V C 0.202 176.155 176.094 -0.236 0.000 1.030 278 V CA -0.695 61.483 62.300 -0.204 0.000 0.881 278 V CB 1.421 33.146 31.823 -0.163 0.000 0.983 278 V HN 0.816 nan 8.190 nan 0.000 0.445 279 E N 2.876 122.979 120.200 -0.161 0.000 2.529 279 E HA 0.366 4.814 4.350 0.165 0.000 0.259 279 E C -0.175 176.320 176.600 -0.176 0.000 0.966 279 E CA 0.216 56.529 56.400 -0.144 0.000 0.937 279 E CB 0.561 30.207 29.700 -0.091 0.000 0.923 279 E HN 0.896 nan 8.360 nan 0.000 0.468 280 A N 5.071 127.780 122.820 -0.185 0.000 2.572 280 A HA 0.551 4.970 4.320 0.165 0.000 0.295 280 A C -2.676 174.862 177.584 -0.076 0.000 1.072 280 A CA -1.483 50.423 52.037 -0.219 0.000 0.691 280 A CB 1.292 19.962 19.000 -0.549 0.000 1.291 280 A HN 0.523 nan 8.150 nan 0.000 0.404 281 P HA 0.169 nan 4.420 nan 0.000 0.268 281 P C -0.375 176.969 177.300 0.073 0.000 1.204 281 P CA -0.035 62.953 63.100 -0.187 0.000 0.768 281 P CB 0.390 31.646 31.700 -0.740 0.000 0.842 282 Q N 1.437 121.303 119.800 0.109 0.000 2.283 282 Q HA 0.321 4.760 4.340 0.165 0.000 0.301 282 Q C 0.634 176.804 176.000 0.283 0.000 1.063 282 Q CA 1.236 57.151 55.803 0.186 0.000 0.952 282 Q CB -0.189 28.631 28.738 0.138 0.000 1.166 282 Q HN 0.783 nan 8.270 nan 0.000 0.381 283 G N 3.348 112.236 108.800 0.145 0.000 2.295 283 G HA2 -0.094 3.965 3.960 0.165 0.000 0.155 283 G HA3 -0.094 3.965 3.960 0.165 0.000 0.155 283 G C -1.377 173.389 174.900 -0.223 0.000 1.307 283 G CA -0.657 44.428 45.100 -0.024 0.000 1.140 283 G HN 0.640 nan 8.290 nan 0.000 0.470 284 N N 0.215 118.666 118.700 -0.415 0.000 2.240 284 N HA 0.654 5.493 4.740 0.165 0.000 0.302 284 N C -1.442 173.699 175.510 -0.614 0.000 1.106 284 N CA -0.384 52.398 53.050 -0.446 0.000 0.778 284 N CB 1.850 40.212 38.487 -0.208 0.000 1.431 284 N HN 0.596 nan 8.380 nan 0.000 0.479 285 H N -1.066 118.025 119.070 0.036 0.000 2.731 285 H HA 0.604 5.259 4.556 0.165 0.000 0.368 285 H C 0.600 175.916 175.328 -0.020 0.000 1.168 285 H CA -0.772 55.288 56.048 0.019 0.000 1.181 285 H CB 1.749 31.529 29.762 0.030 0.000 1.743 285 H HN 0.616 nan 8.280 nan 0.000 0.547 286 G N -0.287 108.534 108.800 0.035 0.000 3.019 286 G HA2 0.205 4.264 3.960 0.165 0.000 0.152 286 G HA3 0.205 4.264 3.960 0.165 0.000 0.152 286 G C -0.465 174.254 174.900 -0.301 0.000 1.320 286 G CA -0.992 44.044 45.100 -0.106 0.000 1.013 286 G HN 0.700 nan 8.290 nan 0.000 0.593 287 R N -0.796 119.321 120.500 -0.639 0.000 2.679 287 R HA 0.317 4.756 4.340 0.165 0.000 0.268 287 R C -1.128 174.696 176.300 -0.793 0.000 1.044 287 R CA -0.136 55.154 56.100 -1.350 0.000 1.105 287 R CB 0.537 30.093 30.300 -1.239 0.000 0.989 287 R HN 0.109 nan 8.270 nan 0.000 0.447 288 V N 5.168 124.563 119.914 -0.864 0.000 2.417 288 V HA 0.380 4.599 4.120 0.165 0.000 0.291 288 V C 0.042 176.118 176.094 -0.029 0.000 1.024 288 V CA -0.660 61.517 62.300 -0.205 0.000 0.861 288 V CB 1.263 33.126 31.823 0.066 0.000 0.985 288 V HN 0.712 nan 8.190 nan 0.000 0.436 289 V N 3.487 123.423 119.914 0.037 0.000 2.960 289 V HA 0.772 4.991 4.120 0.165 0.000 0.315 289 V C -0.841 175.408 176.094 0.258 0.000 1.087 289 V CA -1.090 61.328 62.300 0.198 0.000 0.982 289 V CB 1.996 33.858 31.823 0.065 0.000 1.039 289 V HN 0.663 nan 8.190 nan 0.000 0.437 290 L N 4.054 125.510 121.223 0.388 0.000 2.264 290 L HA 0.687 5.126 4.340 0.165 0.000 0.289 290 L C -1.168 175.956 176.870 0.424 0.000 1.044 290 L CA -0.135 54.882 54.840 0.295 0.000 0.807 290 L CB 1.007 43.157 42.059 0.153 0.000 1.192 290 L HN 0.956 nan 8.230 nan 0.000 0.425 291 W N 6.986 128.359 121.300 0.122 0.000 2.587 291 W HA 0.496 5.255 4.660 0.166 0.000 0.324 291 W C 0.111 176.675 176.519 0.075 0.000 1.008 291 W CA -0.960 56.451 57.345 0.110 0.000 1.265 291 W CB 0.657 30.169 29.460 0.087 0.000 1.328 291 W HN 0.677 nan 8.180 nan 0.000 0.432 292 R N 4.387 124.760 120.500 -0.211 0.000 3.416 292 R HA -0.192 4.246 4.340 0.165 0.000 0.263 292 R C 1.192 177.401 176.300 -0.152 0.000 1.053 292 R CA 1.260 57.174 56.100 -0.310 0.000 0.705 292 R CB -1.678 28.228 30.300 -0.656 0.000 1.124 292 R HN 1.403 nan 8.270 nan 0.000 0.444 293 G N -1.481 107.291 108.800 -0.046 0.000 2.189 293 G HA2 -0.408 3.651 3.960 0.165 0.000 0.267 293 G HA3 -0.408 3.651 3.960 0.165 0.000 0.267 293 G C 0.020 174.923 174.900 0.005 0.000 0.975 293 G CA 0.937 46.025 45.100 -0.019 0.000 0.644 293 G HN 0.395 nan 8.290 nan 0.000 0.537 294 K N -0.596 119.823 120.400 0.032 0.000 2.238 294 K HA 0.813 5.232 4.320 0.165 0.000 0.239 294 K C 0.345 177.019 176.600 0.124 0.000 0.987 294 K CA -0.855 55.469 56.287 0.062 0.000 0.857 294 K CB 1.986 34.521 32.500 0.060 0.000 1.154 294 K HN 0.366 nan 8.250 nan 0.000 0.439 295 L N 1.053 122.330 121.223 0.090 0.000 2.312 295 L HA 0.622 5.061 4.340 0.165 0.000 0.281 295 L C -0.512 176.409 176.870 0.085 0.000 1.070 295 L CA -0.916 53.974 54.840 0.085 0.000 0.805 295 L CB 1.318 43.398 42.059 0.034 0.000 1.174 295 L HN 0.280 nan 8.230 nan 0.000 0.434 296 V N 1.850 121.808 119.914 0.073 0.000 2.760 296 V HA 0.597 4.816 4.120 0.165 0.000 0.309 296 V C -0.211 175.856 176.094 -0.045 0.000 1.077 296 V CA -0.375 61.936 62.300 0.018 0.000 0.910 296 V CB 2.307 34.140 31.823 0.018 0.000 1.008 296 V HN 0.867 nan 8.190 nan 0.000 0.424 297 T N 1.814 116.329 114.554 -0.066 0.000 2.812 297 T HA 0.614 5.063 4.350 0.165 0.000 0.294 297 T C -0.363 174.307 174.700 -0.050 0.000 1.159 297 T CA 0.062 62.116 62.100 -0.077 0.000 1.008 297 T CB 1.990 70.827 68.868 -0.052 0.000 1.289 297 T HN 0.997 nan 8.240 nan 0.000 0.514 298 S N 1.201 116.879 115.700 -0.037 0.000 2.646 298 S HA 0.567 5.135 4.470 0.165 0.000 0.276 298 S C -0.704 173.969 174.600 0.121 0.000 1.222 298 S CA -0.536 57.665 58.200 0.002 0.000 1.014 298 S CB 0.896 64.069 63.200 -0.045 0.000 0.991 298 S HN 0.859 nan 8.310 nan 0.000 0.533 299 H N -0.032 119.031 119.070 -0.011 0.000 2.856 299 H HA 0.521 5.176 4.556 0.166 0.000 0.355 299 H C -1.581 173.706 175.328 -0.068 0.000 1.079 299 H CA -0.287 55.746 56.048 -0.025 0.000 1.240 299 H CB 2.112 31.894 29.762 0.034 0.000 1.701 299 H HN 0.803 nan 8.280 nan 0.000 0.527 300 T N 2.393 116.477 114.554 -0.783 0.000 2.883 300 T HA 0.554 5.003 4.350 0.165 0.000 0.301 300 T C -1.270 173.053 174.700 -0.628 0.000 1.158 300 T CA -0.204 61.538 62.100 -0.597 0.000 1.007 300 T CB 1.381 70.112 68.868 -0.228 0.000 1.186 300 T HN 0.795 nan 8.240 nan 0.000 0.499 301 S N 2.197 117.724 115.700 -0.288 0.000 2.656 301 S HA 0.488 5.056 4.470 0.165 0.000 0.273 301 S C 0.839 175.484 174.600 0.075 0.000 1.168 301 S CA -0.920 57.218 58.200 -0.104 0.000 0.817 301 S CB 0.660 63.848 63.200 -0.020 0.000 1.146 301 S HN 0.617 nan 8.310 nan 0.000 0.475 302 L N 1.508 122.759 121.223 0.048 0.000 2.261 302 L HA -0.050 4.389 4.340 0.165 0.000 0.216 302 L C 2.427 179.445 176.870 0.246 0.000 1.114 302 L CA 1.614 56.494 54.840 0.067 0.000 0.777 302 L CB -0.427 41.631 42.059 -0.003 0.000 0.910 302 L HN 0.926 nan 8.230 nan 0.000 0.440 303 S N -3.728 112.139 115.700 0.278 0.000 2.524 303 S HA 0.084 4.652 4.470 0.165 0.000 0.215 303 S C 0.706 175.478 174.600 0.286 0.000 0.986 303 S CA -0.354 58.053 58.200 0.345 0.000 0.911 303 S CB 0.303 63.621 63.200 0.197 0.000 0.805 303 S HN 0.162 nan 8.310 nan 0.000 0.501 304 T N 4.544 119.212 114.554 0.190 0.000 2.934 304 T HA 0.481 4.930 4.350 0.165 0.000 0.328 304 T C -3.035 171.490 174.700 -0.292 0.000 1.068 304 T CA -1.423 60.623 62.100 -0.091 0.000 1.018 304 T CB 1.603 70.457 68.868 -0.023 0.000 1.009 304 T HN 0.033 nan 8.240 nan 0.000 0.471 305 P HA 0.131 nan 4.420 nan 0.000 0.266 305 P C -2.542 174.518 177.300 -0.399 0.000 1.193 305 P CA -1.103 61.390 63.100 -1.012 0.000 0.770 305 P CB -0.359 30.670 31.700 -1.118 0.000 0.836 306 P HA 0.016 nan 4.420 nan 0.000 0.262 306 P C -0.205 177.075 177.300 -0.034 0.000 1.182 306 P CA 0.702 63.729 63.100 -0.123 0.000 0.761 306 P CB 0.291 31.945 31.700 -0.076 0.000 0.795 307 R N 2.583 123.084 120.500 0.003 0.000 2.869 307 R HA 0.728 5.166 4.340 0.165 0.000 0.263 307 R C -1.134 175.159 176.300 -0.012 0.000 1.066 307 R CA -1.022 55.105 56.100 0.045 0.000 0.960 307 R CB 1.159 31.469 30.300 0.017 0.000 1.221 307 R HN 0.094 nan 8.270 nan 0.000 0.474 308 I N 2.428 122.921 120.570 -0.128 0.000 2.362 308 I HA 0.375 4.644 4.170 0.165 0.000 0.289 308 I C 0.065 176.076 176.117 -0.176 0.000 0.994 308 I CA -0.830 60.359 61.300 -0.185 0.000 1.158 308 I CB 1.351 39.141 38.000 -0.350 0.000 1.315 308 I HN 0.619 nan 8.210 nan 0.000 0.451 309 V N 2.824 122.676 119.914 -0.103 0.000 2.914 309 V HA 0.750 4.969 4.120 0.165 0.000 0.314 309 V C -0.062 175.994 176.094 -0.063 0.000 1.084 309 V CA -0.695 61.558 62.300 -0.079 0.000 0.963 309 V CB 1.866 33.661 31.823 -0.048 0.000 1.025 309 V HN 0.774 nan 8.190 nan 0.000 0.432 310 S N 3.591 119.267 115.700 -0.039 0.000 2.554 310 S HA 0.754 5.322 4.470 0.165 0.000 0.278 310 S C -0.564 174.021 174.600 -0.025 0.000 1.242 310 S CA -0.623 57.579 58.200 0.002 0.000 1.051 310 S CB 0.498 63.727 63.200 0.047 0.000 0.986 310 S HN 0.773 nan 8.310 nan 0.000 0.502 311 L N 4.747 125.957 121.223 -0.022 0.000 2.342 311 L HA 0.524 4.963 4.340 0.165 0.000 0.271 311 L C -1.495 175.356 176.870 -0.032 0.000 1.008 311 L CA -2.025 52.784 54.840 -0.051 0.000 0.818 311 L CB 2.081 44.090 42.059 -0.084 0.000 1.296 311 L HN 0.586 nan 8.230 nan 0.000 0.427 312 P HA 0.006 nan 4.420 nan 0.000 0.255 312 P C 1.108 178.373 177.300 -0.059 0.000 1.248 312 P CA 0.229 63.290 63.100 -0.064 0.000 0.807 312 P CB 0.479 32.144 31.700 -0.058 0.000 1.150 313 S N 0.042 115.716 115.700 -0.043 0.000 2.382 313 S HA 0.014 4.583 4.470 0.165 0.000 0.228 313 S C 1.925 176.492 174.600 -0.054 0.000 1.027 313 S CA 1.345 59.522 58.200 -0.039 0.000 0.991 313 S CB -1.659 61.527 63.200 -0.023 0.000 0.823 313 S HN 0.298 nan 8.310 nan 0.000 0.469 314 G N 0.877 109.635 108.800 -0.069 0.000 2.179 314 G HA2 -0.261 3.798 3.960 0.165 0.000 0.260 314 G HA3 -0.261 3.798 3.960 0.165 0.000 0.260 314 G C -0.246 174.606 174.900 -0.080 0.000 0.977 314 G CA 0.287 45.329 45.100 -0.096 0.000 0.641 314 G HN 0.658 nan 8.290 nan 0.000 0.533 315 E N 2.090 122.259 120.200 -0.052 0.000 2.344 315 E HA 0.323 4.771 4.350 0.165 0.000 0.270 315 E C -2.073 174.496 176.600 -0.053 0.000 1.021 315 E CA -1.480 54.895 56.400 -0.042 0.000 0.887 315 E CB 1.050 30.737 29.700 -0.021 0.000 0.997 315 E HN 0.251 nan 8.360 nan 0.000 0.429 316 P HA -0.000 nan 4.420 nan 0.000 0.276 316 P C 0.043 177.265 177.300 -0.130 0.000 1.230 316 P CA 0.188 63.228 63.100 -0.099 0.000 0.776 316 P CB 0.994 32.643 31.700 -0.085 0.000 0.888 317 L N 2.075 123.159 121.223 -0.231 0.000 2.221 317 L HA 0.199 4.638 4.340 0.165 0.000 0.202 317 L C 0.903 177.483 176.870 -0.484 0.000 1.074 317 L CA 0.856 55.481 54.840 -0.357 0.000 0.795 317 L CB -0.099 41.603 42.059 -0.596 0.000 0.960 317 L HN 0.291 nan 8.230 nan 0.000 0.458 318 L N 0.340 121.238 121.223 -0.541 0.000 2.438 318 L HA 0.396 4.835 4.340 0.165 0.000 0.270 318 L C -1.050 175.547 176.870 -0.456 0.000 0.972 318 L CA -0.368 54.074 54.840 -0.663 0.000 0.831 318 L CB 2.181 43.524 42.059 -1.194 0.000 1.273 318 L HN 0.099 nan 8.230 nan 0.000 0.405 319 E N 2.026 122.100 120.200 -0.210 0.000 2.372 319 E HA 0.642 5.091 4.350 0.165 0.000 0.279 319 E C -0.978 175.682 176.600 0.100 0.000 0.946 319 E CA -1.024 55.382 56.400 0.010 0.000 0.769 319 E CB 1.961 31.638 29.700 -0.038 0.000 1.230 319 E HN 0.487 nan 8.360 nan 0.000 0.442 320 G N 0.404 109.264 108.800 0.100 0.000 2.448 320 G HA2 0.570 4.629 3.960 0.165 0.000 0.285 320 G HA3 0.570 4.629 3.960 0.165 0.000 0.285 320 G C -0.208 174.657 174.900 -0.058 0.000 1.176 320 G CA -0.356 44.749 45.100 0.008 0.000 0.852 320 G HN 0.563 nan 8.290 nan 0.000 0.530 321 G N -0.119 108.654 108.800 -0.046 0.000 2.416 321 G HA2 0.561 4.620 3.960 0.165 0.000 0.329 321 G HA3 0.561 4.620 3.960 0.165 0.000 0.329 321 G C -0.564 174.306 174.900 -0.049 0.000 1.173 321 G CA -0.691 44.380 45.100 -0.049 0.000 0.929 321 G HN 0.597 nan 8.290 nan 0.000 0.475 322 L N 2.863 124.057 121.223 -0.049 0.000 2.325 322 L HA 0.425 4.863 4.340 0.165 0.000 0.279 322 L C -1.647 175.229 176.870 0.010 0.000 1.054 322 L CA -1.853 52.977 54.840 -0.017 0.000 0.804 322 L CB 2.121 44.175 42.059 -0.008 0.000 1.200 322 L HN 0.357 nan 8.230 nan 0.000 0.436 323 P HA 0.029 nan 4.420 nan 0.000 0.272 323 P C 0.180 177.501 177.300 0.035 0.000 1.223 323 P CA -0.292 62.824 63.100 0.027 0.000 0.784 323 P CB 1.089 32.807 31.700 0.031 0.000 0.923 324 E N 2.019 122.238 120.200 0.031 0.000 2.114 324 E HA -0.283 4.165 4.350 0.165 0.000 0.199 324 E C 1.345 177.971 176.600 0.042 0.000 1.008 324 E CA 2.339 58.760 56.400 0.035 0.000 0.810 324 E CB -0.548 29.169 29.700 0.028 0.000 0.739 324 E HN 0.555 nan 8.360 nan 0.000 0.456 325 D N 0.245 120.669 120.400 0.040 0.000 2.123 325 D HA -0.221 4.518 4.640 0.165 0.000 0.196 325 D C 2.151 178.484 176.300 0.055 0.000 0.992 325 D CA 1.284 55.309 54.000 0.042 0.000 0.833 325 D CB -0.760 40.062 40.800 0.037 0.000 0.954 325 D HN 0.389 nan 8.370 nan 0.000 0.455 326 L N -0.326 120.936 121.223 0.064 0.000 2.109 326 L HA -0.001 4.437 4.340 0.165 0.000 0.207 326 L C 3.003 179.935 176.870 0.104 0.000 1.086 326 L CA 0.737 55.630 54.840 0.088 0.000 0.760 326 L CB -0.251 41.871 42.059 0.105 0.000 0.910 326 L HN -0.066 nan 8.230 nan 0.000 0.437 327 R N -0.080 120.475 120.500 0.091 0.000 2.096 327 R HA -0.133 4.306 4.340 0.165 0.000 0.235 327 R C 2.315 178.669 176.300 0.089 0.000 1.127 327 R CA 1.225 57.383 56.100 0.097 0.000 0.968 327 R CB -0.189 30.154 30.300 0.071 0.000 0.861 327 R HN 0.339 nan 8.270 nan 0.000 0.440 328 R N 0.196 120.739 120.500 0.072 0.000 2.235 328 R HA -0.035 4.404 4.340 0.165 0.000 0.213 328 R C 2.271 178.612 176.300 0.069 0.000 1.059 328 R CA 1.237 57.376 56.100 0.065 0.000 0.997 328 R CB -0.017 30.314 30.300 0.051 0.000 0.884 328 R HN 0.238 nan 8.270 nan 0.000 0.462 329 S N 0.431 116.175 115.700 0.074 0.000 2.474 329 S HA -0.022 4.547 4.470 0.165 0.000 0.235 329 S C 0.950 175.600 174.600 0.084 0.000 0.997 329 S CA 0.489 58.731 58.200 0.070 0.000 0.949 329 S CB -0.107 63.134 63.200 0.068 0.000 0.766 329 S HN 0.139 nan 8.310 nan 0.000 0.517 330 I N 1.911 122.541 120.570 0.099 0.000 2.291 330 I HA 0.347 4.616 4.170 0.165 0.000 0.290 330 I C 1.246 177.426 176.117 0.106 0.000 1.050 330 I CA -0.411 60.954 61.300 0.109 0.000 1.245 330 I CB 1.268 39.340 38.000 0.120 0.000 1.405 330 I HN 0.229 nan 8.210 nan 0.000 0.478 331 A N 5.120 128.006 122.820 0.111 0.000 2.016 331 A HA 0.470 4.889 4.320 0.165 0.000 0.217 331 A C 1.090 178.733 177.584 0.098 0.000 1.162 331 A CA 1.017 53.115 52.037 0.101 0.000 0.662 331 A CB -0.062 19.005 19.000 0.111 0.000 0.812 331 A HN 0.829 nan 8.150 nan 0.000 0.450 332 G N -2.184 106.682 108.800 0.109 0.000 2.316 332 G HA2 0.499 4.558 3.960 0.165 0.000 0.296 332 G HA3 0.499 4.558 3.960 0.165 0.000 0.296 332 G C -0.841 174.131 174.900 0.120 0.000 1.399 332 G CA 0.124 45.288 45.100 0.106 0.000 0.833 332 G HN 1.138 nan 8.290 nan 0.000 0.565 333 S N -1.068 114.707 115.700 0.124 0.000 2.595 333 S HA 0.945 5.513 4.470 0.165 0.000 0.281 333 S C -0.627 174.051 174.600 0.129 0.000 1.117 333 S CA -0.856 57.435 58.200 0.151 0.000 0.873 333 S CB 2.522 65.835 63.200 0.187 0.000 1.108 333 S HN 1.266 nan 8.310 nan 0.000 0.477 334 R N 0.136 120.694 120.500 0.096 0.000 2.680 334 R HA 0.666 5.105 4.340 0.165 0.000 0.269 334 R C -2.020 174.118 176.300 -0.270 0.000 1.026 334 R CA -1.041 55.045 56.100 -0.023 0.000 0.889 334 R CB 0.943 31.241 30.300 -0.003 0.000 1.241 334 R HN 0.528 nan 8.270 nan 0.000 0.463 335 L N 2.286 123.237 121.223 -0.454 0.000 2.275 335 L HA 0.553 4.992 4.340 0.165 0.000 0.288 335 L C -0.497 176.074 176.870 -0.498 0.000 1.046 335 L CA -0.420 53.954 54.840 -0.777 0.000 0.805 335 L CB 1.723 43.294 42.059 -0.813 0.000 1.193 335 L HN 0.612 nan 8.230 nan 0.000 0.426 336 V N 1.686 121.239 119.914 -0.601 0.000 3.019 336 V HA 0.668 4.887 4.120 0.165 0.000 0.317 336 V C -1.349 174.335 176.094 -0.683 0.000 1.094 336 V CA -0.796 61.195 62.300 -0.515 0.000 1.000 336 V CB 1.767 33.200 31.823 -0.651 0.000 1.060 336 V HN 0.823 nan 8.190 nan 0.000 0.443 337 W N 1.701 122.772 121.300 -0.381 0.000 2.338 337 W HA 0.697 5.457 4.660 0.166 0.000 0.315 337 W C -0.516 175.803 176.519 -0.334 0.000 1.005 337 W CA -0.618 56.529 57.345 -0.331 0.000 1.380 337 W CB 1.705 31.021 29.460 -0.241 0.000 1.235 337 W HN 0.516 nan 8.180 nan 0.000 0.409 338 V N 4.477 124.263 119.914 -0.212 0.000 2.498 338 V HA 0.134 4.353 4.120 0.165 0.000 0.279 338 V C 0.473 176.563 176.094 -0.006 0.000 1.048 338 V CA -0.867 61.328 62.300 -0.175 0.000 0.967 338 V CB 0.758 32.467 31.823 -0.191 0.000 0.988 338 V HN 0.313 nan 8.190 nan 0.000 0.473 339 E N 3.108 123.336 120.200 0.046 0.000 2.223 339 E HA 0.305 4.754 4.350 0.165 0.000 0.282 339 E C -0.026 176.628 176.600 0.089 0.000 1.046 339 E CA 0.000 56.440 56.400 0.066 0.000 0.857 339 E CB 1.594 31.333 29.700 0.066 0.000 1.055 339 E HN 0.559 nan 8.360 nan 0.000 0.409 340 S N 0.753 116.515 115.700 0.104 0.000 2.719 340 S HA 0.508 5.077 4.470 0.165 0.000 0.285 340 S C 1.365 176.028 174.600 0.106 0.000 1.137 340 S CA -0.011 58.265 58.200 0.127 0.000 1.012 340 S CB 0.309 63.623 63.200 0.190 0.000 1.134 340 S HN 0.522 nan 8.310 nan 0.000 0.544 341 F N 0.832 120.843 119.950 0.101 0.000 2.236 341 F HA -0.055 4.570 4.527 0.165 0.000 0.302 341 F C 1.736 177.579 175.800 0.072 0.000 1.073 341 F CA 1.953 59.999 58.000 0.076 0.000 1.336 341 F CB -1.012 38.028 39.000 0.066 0.000 1.040 341 F HN 0.815 nan 8.300 nan 0.000 0.507 342 D N -2.322 118.133 120.400 0.091 0.000 2.431 342 D HA 0.360 5.099 4.640 0.165 0.000 0.213 342 D C 1.377 177.726 176.300 0.082 0.000 1.130 342 D CA 0.538 54.588 54.000 0.083 0.000 0.834 342 D CB -0.112 40.745 40.800 0.096 0.000 0.985 342 D HN 1.011 nan 8.370 nan 0.000 0.504 343 G N 0.057 108.905 108.800 0.080 0.000 2.213 343 G HA2 -0.274 3.785 3.960 0.165 0.000 0.236 343 G HA3 -0.274 3.785 3.960 0.165 0.000 0.236 343 G C 0.396 175.332 174.900 0.059 0.000 0.991 343 G CA 0.123 45.259 45.100 0.059 0.000 0.629 343 G HN 0.388 nan 8.290 nan 0.000 0.517 344 S N 1.023 116.787 115.700 0.107 0.000 2.552 344 S HA 0.376 4.944 4.470 0.165 0.000 0.289 344 S C 0.756 175.367 174.600 0.018 0.000 1.304 344 S CA 0.012 58.267 58.200 0.092 0.000 1.063 344 S CB 0.578 63.963 63.200 0.308 0.000 0.848 344 S HN 0.491 nan 8.310 nan 0.000 0.499 345 R N 1.919 122.366 120.500 -0.088 0.000 2.196 345 R HA 0.290 4.729 4.340 0.165 0.000 0.340 345 R C -1.030 175.215 176.300 -0.091 0.000 1.043 345 R CA -0.390 55.700 56.100 -0.016 0.000 0.883 345 R CB 0.518 30.819 30.300 0.002 0.000 1.078 345 R HN 0.319 nan 8.270 nan 0.000 0.462 346 V N 6.301 126.168 119.914 -0.077 0.000 2.353 346 V HA 0.169 4.388 4.120 0.165 0.000 0.264 346 V C -1.838 174.010 176.094 -0.410 0.000 1.049 346 V CA -2.062 60.133 62.300 -0.174 0.000 0.896 346 V CB 0.818 32.677 31.823 0.061 0.000 1.025 346 V HN 0.628 nan 8.190 nan 0.000 0.475 347 P HA 0.194 nan 4.420 nan 0.000 0.271 347 P C -0.293 176.564 177.300 -0.738 0.000 1.233 347 P CA 0.211 62.505 63.100 -1.345 0.000 0.764 347 P CB 0.431 30.984 31.700 -1.911 0.000 0.825 348 T N 4.057 118.204 114.554 -0.679 0.000 2.881 348 T HA 0.306 4.755 4.350 0.165 0.000 0.291 348 T C -0.622 173.847 174.700 -0.386 0.000 0.990 348 T CA -0.188 61.685 62.100 -0.378 0.000 0.976 348 T CB 0.269 68.914 68.868 -0.371 0.000 0.970 348 T HN 0.121 nan 8.240 nan 0.000 0.438 349 Y N 1.856 122.056 120.300 -0.167 0.000 2.309 349 Y HA 0.501 5.149 4.550 0.165 0.000 0.327 349 Y C 0.271 176.152 175.900 -0.033 0.000 1.172 349 Y CA -0.290 57.752 58.100 -0.097 0.000 1.280 349 Y CB 0.991 39.424 38.460 -0.046 0.000 1.234 349 Y HN 0.304 nan 8.280 nan 0.000 0.512 350 V N 5.411 125.400 119.914 0.125 0.000 2.483 350 V HA 0.278 4.497 4.120 0.165 0.000 0.297 350 V C -1.145 175.057 176.094 0.179 0.000 1.027 350 V CA -0.856 61.539 62.300 0.157 0.000 0.855 350 V CB 1.742 33.659 31.823 0.158 0.000 0.995 350 V HN 0.441 nan 8.190 nan 0.000 0.424 351 L N 4.626 125.960 121.223 0.184 0.000 2.276 351 L HA 0.717 5.155 4.340 0.165 0.000 0.286 351 L C 0.449 177.446 176.870 0.212 0.000 1.024 351 L CA 0.072 55.012 54.840 0.167 0.000 0.826 351 L CB 1.162 43.293 42.059 0.120 0.000 1.211 351 L HN 0.861 nan 8.230 nan 0.000 0.422 352 E N 2.775 123.094 120.200 0.199 0.000 2.259 352 E HA 0.445 4.893 4.350 0.165 0.000 0.281 352 E C -0.000 176.782 176.600 0.304 0.000 1.037 352 E CA -0.062 56.503 56.400 0.276 0.000 0.854 352 E CB 1.069 30.843 29.700 0.123 0.000 1.051 352 E HN 0.675 nan 8.360 nan 0.000 0.409 353 S N 1.676 117.625 115.700 0.414 0.000 2.548 353 S HA 0.426 4.995 4.470 0.165 0.000 0.277 353 S C 1.413 176.096 174.600 0.139 0.000 1.315 353 S CA 0.171 58.462 58.200 0.151 0.000 1.050 353 S CB 0.695 63.869 63.200 -0.044 0.000 0.918 353 S HN 0.911 nan 8.310 nan 0.000 0.497 354 G N 3.640 112.495 108.800 0.092 0.000 2.848 354 G HA2 0.042 4.101 3.960 0.165 0.000 0.208 354 G HA3 0.042 4.101 3.960 0.165 0.000 0.208 354 G C 0.993 175.913 174.900 0.034 0.000 1.152 354 G CA -0.168 44.975 45.100 0.073 0.000 0.789 354 G HN 0.748 nan 8.290 nan 0.000 0.531 355 R N -0.472 120.027 120.500 -0.002 0.000 2.543 355 R HA 0.471 4.910 4.340 0.165 0.000 0.323 355 R C 0.175 176.413 176.300 -0.103 0.000 1.002 355 R CA -0.007 56.068 56.100 -0.042 0.000 1.106 355 R CB 1.047 31.322 30.300 -0.043 0.000 1.280 355 R HN 0.215 nan 8.270 nan 0.000 0.549 356 A N 1.903 124.649 122.820 -0.123 0.000 2.401 356 A HA 0.640 5.059 4.320 0.165 0.000 0.310 356 A C -2.495 175.074 177.584 -0.025 0.000 1.075 356 A CA -1.699 50.220 52.037 -0.196 0.000 0.746 356 A CB 1.112 19.781 19.000 -0.552 0.000 1.277 356 A HN -0.110 nan 8.150 nan 0.000 0.425 357 P HA 0.382 nan 4.420 nan 0.000 0.275 357 P C -0.533 176.881 177.300 0.190 0.000 1.266 357 P CA 0.053 63.195 63.100 0.070 0.000 0.793 357 P CB 0.617 32.332 31.700 0.025 0.000 1.074 358 T N 1.616 116.244 114.554 0.123 0.000 2.847 358 T HA 0.388 4.837 4.350 0.165 0.000 0.291 358 T C -2.228 172.489 174.700 0.027 0.000 0.998 358 T CA -0.948 61.204 62.100 0.086 0.000 0.967 358 T CB 0.626 69.500 68.868 0.010 0.000 0.954 358 T HN 0.393 nan 8.240 nan 0.000 0.441 359 P HA 0.540 nan 4.420 nan 0.000 0.269 359 P C -0.081 177.277 177.300 0.097 0.000 1.209 359 P CA -0.187 62.934 63.100 0.035 0.000 0.776 359 P CB 0.868 32.567 31.700 -0.002 0.000 0.876 360 G N 1.011 109.921 108.800 0.184 0.000 2.682 360 G HA2 0.538 4.597 3.960 0.165 0.000 0.290 360 G HA3 0.538 4.597 3.960 0.165 0.000 0.290 360 G C -3.323 171.674 174.900 0.161 0.000 1.425 360 G CA -1.415 43.769 45.100 0.140 0.000 0.807 360 G HN 0.204 nan 8.290 nan 0.000 0.482 361 P HA 0.297 nan 4.420 nan 0.000 0.264 361 P C -0.433 177.090 177.300 0.371 0.000 1.193 361 P CA 0.468 63.700 63.100 0.221 0.000 0.763 361 P CB 0.977 32.702 31.700 0.042 0.000 0.810 362 T N 2.651 117.502 114.554 0.496 0.000 2.881 362 T HA 0.384 4.833 4.350 0.165 0.000 0.290 362 T C -0.550 174.434 174.700 0.474 0.000 1.000 362 T CA -0.433 61.942 62.100 0.459 0.000 0.978 362 T CB 1.089 70.168 68.868 0.352 0.000 0.997 362 T HN -0.069 nan 8.240 nan 0.000 0.443 363 V N 3.557 123.684 119.914 0.355 0.000 2.370 363 V HA 0.345 4.564 4.120 0.165 0.000 0.283 363 V C 0.097 176.317 176.094 0.210 0.000 1.023 363 V CA -0.798 61.635 62.300 0.223 0.000 0.857 363 V CB 1.691 33.516 31.823 0.004 0.000 0.985 363 V HN 0.731 nan 8.190 nan 0.000 0.443 364 V N 6.650 126.686 119.914 0.204 0.000 2.387 364 V HA 0.203 4.422 4.120 0.165 0.000 0.260 364 V C -0.032 176.109 176.094 0.079 0.000 1.054 364 V CA -0.143 62.266 62.300 0.182 0.000 0.967 364 V CB 0.960 32.942 31.823 0.265 0.000 1.036 364 V HN 0.624 nan 8.190 nan 0.000 0.481 365 L N 7.772 129.062 121.223 0.111 0.000 2.255 365 L HA 0.502 4.941 4.340 0.165 0.000 0.289 365 L C -0.178 176.772 176.870 0.133 0.000 1.046 365 L CA 0.328 55.228 54.840 0.102 0.000 0.816 365 L CB 1.332 43.455 42.059 0.107 0.000 1.197 365 L HN 0.400 nan 8.230 nan 0.000 0.427 366 V N 5.157 125.144 119.914 0.120 0.000 2.407 366 V HA 0.286 4.505 4.120 0.165 0.000 0.278 366 V C -0.034 176.195 176.094 0.225 0.000 1.037 366 V CA -0.739 61.654 62.300 0.156 0.000 0.900 366 V CB 0.802 32.662 31.823 0.061 0.000 0.983 366 V HN 0.933 nan 8.190 nan 0.000 0.459 367 H N 2.741 122.006 119.070 0.324 0.000 2.679 367 H HA 0.614 5.268 4.556 0.164 0.000 0.369 367 H C 0.614 176.151 175.328 0.348 0.000 1.178 367 H CA 0.214 56.408 56.048 0.243 0.000 1.419 367 H CB 0.546 30.384 29.762 0.126 0.000 1.458 367 H HN 0.664 nan 8.280 nan 0.000 0.605 368 G N -0.371 108.708 108.800 0.466 0.000 2.504 368 G HA2 0.475 4.534 3.960 0.165 0.000 0.257 368 G HA3 0.475 4.534 3.960 0.165 0.000 0.257 368 G C 0.572 175.763 174.900 0.486 0.000 1.451 368 G CA -0.358 45.007 45.100 0.441 0.000 1.059 368 G HN 1.330 nan 8.290 nan 0.000 0.550 369 G N -0.655 108.337 108.800 0.320 0.000 2.938 369 G HA2 -0.167 3.892 3.960 0.165 0.000 0.234 369 G HA3 -0.167 3.892 3.960 0.165 0.000 0.234 369 G C -1.035 173.894 174.900 0.048 0.000 1.707 369 G CA 0.638 45.838 45.100 0.167 0.000 1.299 369 G HN 0.789 nan 8.290 nan 0.000 0.515 370 P HA 0.196 nan 4.420 nan 0.000 0.236 370 P C 0.582 177.961 177.300 0.133 0.000 1.177 370 P CA 0.378 63.394 63.100 -0.140 0.000 0.773 370 P CB -0.179 31.159 31.700 -0.603 0.000 0.878 371 F N 1.367 121.372 119.950 0.092 0.000 2.679 371 F HA 0.394 5.021 4.527 0.166 0.000 0.351 371 F C 1.146 176.940 175.800 -0.009 0.000 1.279 371 F CA -0.775 57.263 58.000 0.063 0.000 1.227 371 F CB -0.142 38.920 39.000 0.105 0.000 1.623 371 F HN 0.019 nan 8.300 nan 0.000 0.666 372 A N 2.564 125.425 122.820 0.069 0.000 2.588 372 A HA 0.759 5.178 4.320 0.165 0.000 0.290 372 A C -1.127 176.144 177.584 -0.522 0.000 1.136 372 A CA -0.812 51.122 52.037 -0.171 0.000 0.681 372 A CB 2.032 20.948 19.000 -0.140 0.000 1.282 372 A HN 0.511 nan 8.150 nan 0.000 0.421 373 E N 0.492 120.407 120.200 -0.475 0.000 2.390 373 E HA 0.488 4.937 4.350 0.165 0.000 0.277 373 E C -1.853 174.578 176.600 -0.282 0.000 0.939 373 E CA -0.845 55.299 56.400 -0.427 0.000 0.769 373 E CB 1.821 31.489 29.700 -0.053 0.000 1.251 373 E HN 0.407 nan 8.360 nan 0.000 0.450 374 D N 1.826 122.163 120.400 -0.104 0.000 2.280 374 D HA 0.262 5.001 4.640 0.165 0.000 0.243 374 D C -0.412 175.826 176.300 -0.103 0.000 1.129 374 D CA 0.164 54.139 54.000 -0.041 0.000 0.848 374 D CB 1.634 42.501 40.800 0.111 0.000 1.107 374 D HN 0.526 nan 8.370 nan 0.000 0.471 375 S N 0.894 116.388 115.700 -0.342 0.000 2.811 375 S HA 0.262 4.831 4.470 0.165 0.000 0.311 375 S C -0.353 173.698 174.600 -0.915 0.000 1.152 375 S CA -0.932 56.942 58.200 -0.543 0.000 0.864 375 S CB 1.834 64.897 63.200 -0.228 0.000 1.226 375 S HN 0.160 nan 8.310 nan 0.000 0.541 376 D N 1.140 121.101 120.400 -0.732 0.000 2.600 376 D HA 0.463 5.202 4.640 0.165 0.000 0.226 376 D C -0.813 175.338 176.300 -0.247 0.000 1.119 376 D CA 0.287 54.030 54.000 -0.429 0.000 1.051 376 D CB -0.885 39.847 40.800 -0.113 0.000 1.106 376 D HN 0.447 nan 8.370 nan 0.000 0.491 377 S N 1.657 117.211 115.700 -0.243 0.000 2.546 377 S HA 0.246 4.814 4.470 0.165 0.000 0.274 377 S C -0.921 173.642 174.600 -0.062 0.000 1.121 377 S CA -0.986 57.127 58.200 -0.145 0.000 0.887 377 S CB 1.346 64.455 63.200 -0.152 0.000 1.094 377 S HN 0.400 nan 8.310 nan 0.000 0.474 378 W N 3.627 124.818 121.300 -0.181 0.000 2.264 378 W HA 0.164 4.923 4.660 0.165 0.000 0.331 378 W C -1.030 175.412 176.519 -0.129 0.000 1.364 378 W CA 0.787 58.050 57.345 -0.137 0.000 1.253 378 W CB 0.384 29.765 29.460 -0.131 0.000 1.215 378 W HN 0.588 nan 8.180 nan 0.000 0.561 379 D N 4.773 124.659 120.400 -0.855 0.000 2.473 379 D HA 0.117 4.856 4.640 0.165 0.000 0.253 379 D C 0.806 176.557 176.300 -0.914 0.000 1.233 379 D CA -0.271 53.318 54.000 -0.686 0.000 0.908 379 D CB 1.582 42.153 40.800 -0.382 0.000 1.170 379 D HN 0.312 nan 8.370 nan 0.000 0.558 380 T N 2.863 117.018 114.554 -0.664 0.000 2.746 380 T HA -0.123 4.326 4.350 0.165 0.000 0.267 380 T C 1.641 176.323 174.700 -0.031 0.000 1.039 380 T CA 0.991 62.915 62.100 -0.293 0.000 1.142 380 T CB -0.127 68.781 68.868 0.066 0.000 0.866 380 T HN 0.369 nan 8.240 nan 0.000 0.444 381 F N 1.746 121.508 119.950 -0.314 0.000 2.102 381 F HA 0.092 4.720 4.527 0.168 0.000 0.298 381 F C 2.702 178.383 175.800 -0.199 0.000 1.105 381 F CA 0.173 58.034 58.000 -0.231 0.000 1.239 381 F CB -1.476 37.391 39.000 -0.222 0.000 0.991 381 F HN 0.152 nan 8.300 nan 0.000 0.474 382 A N -0.016 122.780 122.820 -0.040 0.000 1.902 382 A HA -0.027 4.392 4.320 0.165 0.000 0.217 382 A C 2.462 179.974 177.584 -0.120 0.000 1.181 382 A CA 1.844 53.837 52.037 -0.074 0.000 0.623 382 A CB -1.256 17.680 19.000 -0.107 0.000 0.818 382 A HN 0.288 nan 8.150 nan 0.000 0.443 383 A N -0.533 122.121 122.820 -0.276 0.000 1.933 383 A HA -0.058 4.361 4.320 0.165 0.000 0.218 383 A C 2.422 179.968 177.584 -0.063 0.000 1.175 383 A CA 2.026 53.925 52.037 -0.230 0.000 0.628 383 A CB -0.792 17.919 19.000 -0.482 0.000 0.814 383 A HN 0.454 nan 8.150 nan 0.000 0.444 384 S N -0.047 115.616 115.700 -0.063 0.000 2.368 384 S HA -0.078 4.490 4.470 0.165 0.000 0.225 384 S C 1.811 176.420 174.600 0.015 0.000 1.030 384 S CA 1.405 59.589 58.200 -0.027 0.000 0.999 384 S CB -0.437 62.706 63.200 -0.095 0.000 0.844 384 S HN 0.521 nan 8.310 nan 0.000 0.459 385 L N 1.193 122.424 121.223 0.012 0.000 2.027 385 L HA -0.113 4.326 4.340 0.165 0.000 0.206 385 L C 2.850 179.830 176.870 0.183 0.000 1.074 385 L CA 1.195 56.093 54.840 0.096 0.000 0.745 385 L CB -0.790 41.279 42.059 0.017 0.000 0.898 385 L HN 0.317 nan 8.230 nan 0.000 0.433 386 A N 0.215 123.097 122.820 0.105 0.000 1.908 386 A HA -0.220 4.199 4.320 0.165 0.000 0.218 386 A C 2.520 180.146 177.584 0.071 0.000 1.181 386 A CA 1.929 54.021 52.037 0.092 0.000 0.627 386 A CB -0.741 18.304 19.000 0.076 0.000 0.818 386 A HN 0.420 nan 8.150 nan 0.000 0.445 387 A N -0.496 122.366 122.820 0.069 0.000 1.969 387 A HA 0.252 4.671 4.320 0.165 0.000 0.218 387 A C 2.218 179.837 177.584 0.057 0.000 1.169 387 A CA 1.708 53.782 52.037 0.061 0.000 0.635 387 A CB -0.706 18.333 19.000 0.066 0.000 0.810 387 A HN 1.132 nan 8.150 nan 0.000 0.445 388 A N -1.513 121.367 122.820 0.100 0.000 2.259 388 A HA 0.432 4.851 4.320 0.165 0.000 0.208 388 A C 1.513 179.075 177.584 -0.038 0.000 1.201 388 A CA 0.993 53.096 52.037 0.109 0.000 0.824 388 A CB -1.049 18.102 19.000 0.251 0.000 0.838 388 A HN 1.894 nan 8.150 nan 0.000 0.485 389 G N -1.481 107.271 108.800 -0.080 0.000 2.204 389 G HA2 -0.214 3.844 3.960 0.165 0.000 0.244 389 G HA3 -0.214 3.844 3.960 0.165 0.000 0.244 389 G C -0.309 174.293 174.900 -0.497 0.000 1.062 389 G CA 0.021 44.958 45.100 -0.272 0.000 0.798 389 G HN 0.352 nan 8.290 nan 0.000 0.496 390 F N 0.942 120.823 119.950 -0.115 0.000 2.507 390 F HA 0.545 5.172 4.527 0.167 0.000 0.325 390 F C 0.899 176.633 175.800 -0.109 0.000 1.116 390 F CA -1.202 56.733 58.000 -0.108 0.000 0.930 390 F CB 1.201 40.193 39.000 -0.014 0.000 1.146 390 F HN 0.090 nan 8.300 nan 0.000 0.447 391 H N 1.749 120.973 119.070 0.257 0.000 2.771 391 H HA 0.398 5.053 4.556 0.165 0.000 0.364 391 H C -0.449 175.016 175.328 0.229 0.000 1.133 391 H CA -0.030 56.140 56.048 0.205 0.000 1.423 391 H CB 1.178 31.042 29.762 0.170 0.000 1.425 391 H HN 0.270 nan 8.280 nan 0.000 0.606 392 V N 2.944 123.051 119.914 0.321 0.000 2.531 392 V HA 0.208 4.426 4.120 0.165 0.000 0.301 392 V C -0.073 176.161 176.094 0.234 0.000 1.034 392 V CA -0.795 61.645 62.300 0.235 0.000 0.865 392 V CB 2.020 33.936 31.823 0.155 0.000 0.995 392 V HN 0.421 nan 8.190 nan 0.000 0.424 393 V N 6.043 126.099 119.914 0.237 0.000 2.409 393 V HA 0.535 4.754 4.120 0.165 0.000 0.291 393 V C -0.175 176.034 176.094 0.192 0.000 1.020 393 V CA -0.332 62.109 62.300 0.235 0.000 0.848 393 V CB 1.643 33.652 31.823 0.310 0.000 0.990 393 V HN 0.899 nan 8.190 nan 0.000 0.430 394 M N 8.075 127.774 119.600 0.166 0.000 1.987 394 M HA 0.366 4.945 4.480 0.165 0.000 0.298 394 M C -2.886 173.511 176.300 0.161 0.000 0.892 394 M CA -1.420 53.983 55.300 0.172 0.000 0.885 394 M CB 2.306 35.002 32.600 0.161 0.000 1.469 394 M HN 0.337 nan 8.290 nan 0.000 0.389 395 P HA 0.187 nan 4.420 nan 0.000 0.293 395 P C -1.041 176.376 177.300 0.195 0.000 1.300 395 P CA -0.394 62.791 63.100 0.143 0.000 0.792 395 P CB 0.739 32.551 31.700 0.186 0.000 0.925 396 N N 3.537 122.299 118.700 0.104 0.000 3.050 396 N HA 0.045 4.883 4.740 0.165 0.000 0.289 396 N C 0.268 175.959 175.510 0.302 0.000 1.209 396 N CA -0.094 53.039 53.050 0.138 0.000 1.154 396 N CB -0.561 37.934 38.487 0.013 0.000 1.444 396 N HN 0.469 nan 8.380 nan 0.000 0.529 397 Y N 0.099 120.578 120.300 0.298 0.000 2.652 397 Y HA 0.002 4.651 4.550 0.164 0.000 0.344 397 Y C 1.120 177.037 175.900 0.028 0.000 1.254 397 Y CA -1.259 56.975 58.100 0.224 0.000 1.480 397 Y CB 0.308 38.812 38.460 0.075 0.000 1.345 397 Y HN 0.271 nan 8.280 nan 0.000 0.617 398 R N 1.411 121.738 120.500 -0.288 0.000 2.585 398 R HA 0.361 4.799 4.340 0.165 0.000 0.275 398 R C 0.805 176.895 176.300 -0.349 0.000 1.018 398 R CA 0.544 55.929 56.100 -1.192 0.000 1.072 398 R CB -0.292 29.223 30.300 -1.309 0.000 0.953 398 R HN 1.401 nan 8.270 nan 0.000 0.419 399 G N 1.812 110.403 108.800 -0.349 0.000 2.259 399 G HA2 -0.263 3.796 3.960 0.165 0.000 0.217 399 G HA3 -0.263 3.796 3.960 0.165 0.000 0.217 399 G C -0.113 174.882 174.900 0.159 0.000 1.001 399 G CA 0.048 45.182 45.100 0.057 0.000 0.627 399 G HN 0.664 nan 8.290 nan 0.000 0.501 400 S N 1.670 117.382 115.700 0.020 0.000 2.579 400 S HA 0.526 5.095 4.470 0.165 0.000 0.275 400 S C 0.986 175.737 174.600 0.252 0.000 1.345 400 S CA 0.485 58.772 58.200 0.145 0.000 1.031 400 S CB 1.172 64.501 63.200 0.216 0.000 0.892 400 S HN 1.174 nan 8.310 nan 0.000 0.529 401 T N -0.976 113.685 114.554 0.178 0.000 2.788 401 T HA 0.588 5.037 4.350 0.165 0.000 0.280 401 T C 1.296 176.124 174.700 0.213 0.000 0.984 401 T CA -0.051 62.141 62.100 0.154 0.000 0.972 401 T CB 0.630 69.539 68.868 0.069 0.000 1.039 401 T HN 1.253 nan 8.240 nan 0.000 0.530 402 G N -0.216 108.628 108.800 0.074 0.000 2.195 402 G HA2 -0.238 3.821 3.960 0.165 0.000 0.246 402 G HA3 -0.238 3.821 3.960 0.165 0.000 0.246 402 G C 0.225 174.823 174.900 -0.504 0.000 0.984 402 G CA 0.342 45.336 45.100 -0.177 0.000 0.633 402 G HN 0.800 nan 8.290 nan 0.000 0.525 403 Y N 0.793 121.168 120.300 0.125 0.000 2.738 403 Y HA 0.497 5.145 4.550 0.164 0.000 0.249 403 Y C 1.257 177.230 175.900 0.121 0.000 1.157 403 Y CA 0.352 58.518 58.100 0.110 0.000 1.189 403 Y CB 1.198 39.698 38.460 0.066 0.000 1.262 403 Y HN 1.221 nan 8.280 nan 0.000 0.554 404 G N 0.632 109.540 108.800 0.180 0.000 2.629 404 G HA2 -0.217 3.842 3.960 0.165 0.000 0.686 404 G HA3 -0.217 3.842 3.960 0.165 0.000 0.686 404 G C 0.101 175.090 174.900 0.149 0.000 1.232 404 G CA -0.241 44.939 45.100 0.133 0.000 0.803 404 G HN 0.162 nan 8.290 nan 0.000 0.638 405 E N -0.152 120.089 120.200 0.068 0.000 2.110 405 E HA -0.117 4.331 4.350 0.165 0.000 0.193 405 E C 2.089 178.735 176.600 0.076 0.000 0.988 405 E CA 2.257 58.675 56.400 0.030 0.000 0.804 405 E CB -0.054 29.634 29.700 -0.020 0.000 0.745 405 E HN 0.667 nan 8.360 nan 0.000 0.458 406 E N -0.417 119.855 120.200 0.120 0.000 2.047 406 E HA -0.201 4.248 4.350 0.165 0.000 0.191 406 E C 1.875 178.611 176.600 0.227 0.000 0.987 406 E CA 1.151 57.637 56.400 0.144 0.000 0.799 406 E CB -0.492 29.295 29.700 0.145 0.000 0.752 406 E HN 0.552 nan 8.360 nan 0.000 0.449 407 W N 1.734 123.082 121.300 0.079 0.000 2.358 407 W HA -0.202 4.557 4.660 0.164 0.000 0.303 407 W C 2.372 178.962 176.519 0.117 0.000 1.208 407 W CA 1.451 58.860 57.345 0.106 0.000 1.274 407 W CB -0.120 29.425 29.460 0.140 0.000 1.138 407 W HN 0.098 nan 8.180 nan 0.000 0.515 408 R N 0.439 121.031 120.500 0.153 0.000 2.081 408 R HA -0.162 4.277 4.340 0.165 0.000 0.235 408 R C 2.317 178.634 176.300 0.029 0.000 1.131 408 R CA 1.644 57.772 56.100 0.046 0.000 0.960 408 R CB -0.707 29.593 30.300 -0.000 0.000 0.856 408 R HN 0.236 nan 8.270 nan 0.000 0.436 409 L N 0.398 121.633 121.223 0.019 0.000 2.552 409 L HA 0.001 4.439 4.340 0.165 0.000 0.227 409 L C 1.976 178.860 176.870 0.022 0.000 1.146 409 L CA 0.596 55.458 54.840 0.036 0.000 0.858 409 L CB -0.130 41.942 42.059 0.021 0.000 0.969 409 L HN 0.143 nan 8.230 nan 0.000 0.451 410 K N 0.469 120.850 120.400 -0.031 0.000 2.281 410 K HA -0.163 4.256 4.320 0.165 0.000 0.203 410 K C 1.985 178.553 176.600 -0.054 0.000 1.046 410 K CA 1.147 57.398 56.287 -0.060 0.000 0.938 410 K CB -0.022 32.389 32.500 -0.148 0.000 0.737 410 K HN 0.294 nan 8.250 nan 0.000 0.458 411 I N 1.082 121.631 120.570 -0.035 0.000 2.761 411 I HA -0.104 4.165 4.170 0.165 0.000 0.261 411 I C 0.014 176.131 176.117 -0.001 0.000 1.198 411 I CA 0.182 61.480 61.300 -0.003 0.000 1.482 411 I CB 0.332 38.348 38.000 0.027 0.000 1.100 411 I HN -0.017 nan 8.210 nan 0.000 0.445 412 I N 2.308 122.887 120.570 0.015 0.000 2.662 412 I HA 0.025 4.294 4.170 0.165 0.000 0.285 412 I C 1.529 177.626 176.117 -0.033 0.000 1.161 412 I CA 1.153 62.449 61.300 -0.008 0.000 1.415 412 I CB -0.594 37.425 38.000 0.032 0.000 1.385 412 I HN 0.490 nan 8.210 nan 0.000 0.552 413 G N 5.559 114.313 108.800 -0.076 0.000 2.179 413 G HA2 -0.262 3.797 3.960 0.165 0.000 0.260 413 G HA3 -0.262 3.797 3.960 0.165 0.000 0.260 413 G C 0.310 175.176 174.900 -0.057 0.000 0.977 413 G CA 0.369 45.424 45.100 -0.076 0.000 0.641 413 G HN 0.606 nan 8.290 nan 0.000 0.533 414 D N 0.569 120.948 120.400 -0.034 0.000 2.952 414 D HA 0.334 5.073 4.640 0.165 0.000 0.373 414 D C -2.150 174.189 176.300 0.065 0.000 1.360 414 D CA -1.169 52.836 54.000 0.008 0.000 0.788 414 D CB 1.012 41.818 40.800 0.010 0.000 1.192 414 D HN 0.289 nan 8.370 nan 0.000 0.462 415 P HA 0.074 nan 4.420 nan 0.000 0.271 415 P C 0.281 177.763 177.300 0.303 0.000 1.216 415 P CA -0.112 63.175 63.100 0.312 0.000 0.776 415 P CB 1.215 33.119 31.700 0.340 0.000 0.881 416 C N 2.408 121.870 119.300 0.271 0.000 3.896 416 C HA -0.075 4.484 4.460 0.165 0.000 0.300 416 C C 1.150 176.168 174.990 0.047 0.000 1.322 416 C CA 0.970 60.022 59.018 0.057 0.000 2.130 416 C CB -2.243 25.511 27.740 0.025 0.000 1.363 416 C HN 0.878 nan 8.230 nan 0.000 0.642 417 G N 0.353 109.182 108.800 0.048 0.000 3.324 417 G HA2 0.532 4.591 3.960 0.165 0.000 0.188 417 G HA3 0.532 4.591 3.960 0.165 0.000 0.188 417 G C 1.105 176.020 174.900 0.024 0.000 1.384 417 G CA 0.591 45.709 45.100 0.030 0.000 0.841 417 G HN 1.127 nan 8.290 nan 0.000 0.758 418 G N 0.729 109.544 108.800 0.026 0.000 2.450 418 G HA2 -0.117 3.942 3.960 0.165 0.000 0.220 418 G HA3 -0.117 3.942 3.960 0.165 0.000 0.220 418 G C 1.511 176.432 174.900 0.035 0.000 1.130 418 G CA 1.825 46.943 45.100 0.029 0.000 0.760 418 G HN 0.583 nan 8.290 nan 0.000 0.557 419 E N 0.843 121.059 120.200 0.027 0.000 2.106 419 E HA -0.121 4.328 4.350 0.165 0.000 0.192 419 E C 2.385 178.983 176.600 -0.004 0.000 0.984 419 E CA 0.941 57.368 56.400 0.044 0.000 0.806 419 E CB -0.703 29.045 29.700 0.080 0.000 0.750 419 E HN 0.357 nan 8.360 nan 0.000 0.458 420 L N 1.608 122.813 121.223 -0.029 0.000 2.083 420 L HA -0.112 4.327 4.340 0.165 0.000 0.209 420 L C 2.183 179.069 176.870 0.025 0.000 1.083 420 L CA 1.800 56.616 54.840 -0.039 0.000 0.752 420 L CB -0.408 41.612 42.059 -0.065 0.000 0.899 420 L HN -0.058 nan 8.230 nan 0.000 0.433 421 E N -0.011 120.215 120.200 0.043 0.000 2.110 421 E HA -0.190 4.259 4.350 0.165 0.000 0.193 421 E C 1.852 178.517 176.600 0.109 0.000 0.988 421 E CA 1.295 57.735 56.400 0.067 0.000 0.804 421 E CB -0.366 29.374 29.700 0.067 0.000 0.745 421 E HN 0.601 nan 8.360 nan 0.000 0.458 422 D N 0.515 121.002 120.400 0.145 0.000 2.117 422 D HA -0.108 4.631 4.640 0.165 0.000 0.197 422 D C 2.183 178.598 176.300 0.191 0.000 0.987 422 D CA 0.704 54.830 54.000 0.209 0.000 0.829 422 D CB -0.318 40.673 40.800 0.317 0.000 0.961 422 D HN 0.015 nan 8.370 nan 0.000 0.460 423 V N 1.206 121.220 119.914 0.166 0.000 2.332 423 V HA -0.235 3.984 4.120 0.165 0.000 0.248 423 V C 2.486 178.703 176.094 0.205 0.000 1.055 423 V CA 1.855 64.261 62.300 0.177 0.000 1.038 423 V CB -0.568 31.316 31.823 0.102 0.000 0.651 423 V HN 0.148 nan 8.190 nan 0.000 0.450 424 S N 0.320 116.111 115.700 0.152 0.000 2.383 424 S HA -0.113 4.456 4.470 0.165 0.000 0.227 424 S C 2.171 176.823 174.600 0.087 0.000 1.026 424 S CA 1.276 59.534 58.200 0.097 0.000 0.981 424 S CB -0.443 62.783 63.200 0.044 0.000 0.818 424 S HN 0.653 nan 8.310 nan 0.000 0.472 425 A N 1.551 124.440 122.820 0.116 0.000 1.969 425 A HA 0.256 4.675 4.320 0.165 0.000 0.218 425 A C 2.334 180.030 177.584 0.186 0.000 1.169 425 A CA 1.406 53.521 52.037 0.130 0.000 0.635 425 A CB -0.934 18.142 19.000 0.127 0.000 0.810 425 A HN 0.497 nan 8.150 nan 0.000 0.445 426 A N 0.035 122.970 122.820 0.190 0.000 1.933 426 A HA 0.168 4.587 4.320 0.165 0.000 0.218 426 A C 2.482 180.265 177.584 0.331 0.000 1.175 426 A CA 1.988 54.169 52.037 0.239 0.000 0.628 426 A CB -0.949 18.161 19.000 0.184 0.000 0.814 426 A HN 0.967 nan 8.150 nan 0.000 0.444 427 A N -0.096 122.871 122.820 0.245 0.000 1.858 427 A HA -0.171 4.248 4.320 0.165 0.000 0.216 427 A C 2.260 179.902 177.584 0.097 0.000 1.190 427 A CA 1.532 53.677 52.037 0.179 0.000 0.617 427 A CB -0.525 18.479 19.000 0.007 0.000 0.827 427 A HN 0.530 nan 8.150 nan 0.000 0.443 428 R N -2.042 118.498 120.500 0.066 0.000 2.083 428 R HA -0.228 4.210 4.340 0.165 0.000 0.237 428 R C 2.076 178.427 176.300 0.086 0.000 1.137 428 R CA 1.744 57.868 56.100 0.039 0.000 0.951 428 R CB -0.517 29.808 30.300 0.042 0.000 0.851 428 R HN 0.813 nan 8.270 nan 0.000 0.434 429 W N 1.553 122.860 121.300 0.012 0.000 2.338 429 W HA -0.240 4.518 4.660 0.163 0.000 0.304 429 W C 2.184 178.713 176.519 0.017 0.000 1.212 429 W CA 1.854 59.209 57.345 0.017 0.000 1.264 429 W CB -0.269 29.207 29.460 0.027 0.000 1.142 429 W HN 0.108 nan 8.180 nan 0.000 0.512 430 A N 0.812 123.618 122.820 -0.023 0.000 1.883 430 A HA -0.227 4.192 4.320 0.165 0.000 0.217 430 A C 2.143 179.526 177.584 -0.335 0.000 1.186 430 A CA 2.055 53.916 52.037 -0.292 0.000 0.624 430 A CB -1.049 18.016 19.000 0.108 0.000 0.822 430 A HN 0.470 nan 8.150 nan 0.000 0.444 431 R N -0.326 120.070 120.500 -0.174 0.000 2.075 431 R HA -0.112 4.327 4.340 0.165 0.000 0.232 431 R C 1.989 178.174 176.300 -0.192 0.000 1.126 431 R CA 1.672 57.683 56.100 -0.148 0.000 0.963 431 R CB -0.243 30.000 30.300 -0.096 0.000 0.858 431 R HN 0.663 nan 8.270 nan 0.000 0.435 432 E N -0.045 120.028 120.200 -0.212 0.000 2.152 432 E HA -0.103 4.345 4.350 0.165 0.000 0.192 432 E C 1.819 178.259 176.600 -0.266 0.000 0.983 432 E CA 1.299 57.589 56.400 -0.184 0.000 0.818 432 E CB 0.149 29.785 29.700 -0.106 0.000 0.758 432 E HN 0.432 nan 8.360 nan 0.000 0.467 433 S N -0.633 114.761 115.700 -0.510 0.000 2.481 433 S HA 0.040 4.609 4.470 0.165 0.000 0.231 433 S C 1.682 176.071 174.600 -0.350 0.000 0.996 433 S CA 0.582 58.458 58.200 -0.540 0.000 0.942 433 S CB 0.231 62.761 63.200 -1.116 0.000 0.768 433 S HN 0.368 nan 8.310 nan 0.000 0.520 434 G N 0.425 109.046 108.800 -0.299 0.000 2.157 434 G HA2 -0.226 3.833 3.960 0.165 0.000 0.239 434 G HA3 -0.226 3.833 3.960 0.165 0.000 0.239 434 G C 0.382 175.168 174.900 -0.189 0.000 0.982 434 G CA 0.305 45.291 45.100 -0.191 0.000 0.650 434 G HN 0.551 nan 8.290 nan 0.000 0.527 435 L N 0.746 121.802 121.223 -0.279 0.000 2.095 435 L HA 0.738 5.176 4.340 0.165 0.000 0.204 435 L C 1.744 178.569 176.870 -0.074 0.000 1.080 435 L CA 2.349 57.050 54.840 -0.232 0.000 0.759 435 L CB -0.203 41.669 42.059 -0.310 0.000 0.914 435 L HN 0.837 nan 8.230 nan 0.000 0.439 436 A N -1.494 121.287 122.820 -0.065 0.000 2.288 436 A HA 0.506 4.925 4.320 0.165 0.000 0.320 436 A C 0.990 178.584 177.584 0.016 0.000 1.217 436 A CA 0.157 52.219 52.037 0.042 0.000 0.840 436 A CB 0.671 19.703 19.000 0.052 0.000 1.179 436 A HN 0.402 nan 8.150 nan 0.000 0.504 437 S N 1.403 117.134 115.700 0.053 0.000 2.458 437 S HA 0.141 4.710 4.470 0.165 0.000 0.223 437 S C 0.401 175.006 174.600 0.009 0.000 1.019 437 S CA 0.653 58.867 58.200 0.022 0.000 0.937 437 S CB -0.282 62.937 63.200 0.031 0.000 0.788 437 S HN 0.874 nan 8.310 nan 0.000 0.511 438 E N -0.135 120.083 120.200 0.030 0.000 2.407 438 E HA 0.649 5.098 4.350 0.165 0.000 0.279 438 E C -1.843 174.728 176.600 -0.048 0.000 1.012 438 E CA -1.097 55.275 56.400 -0.046 0.000 0.800 438 E CB 1.100 30.763 29.700 -0.062 0.000 1.276 438 E HN 0.160 nan 8.360 nan 0.000 0.452 439 L N 1.735 122.842 121.223 -0.194 0.000 2.385 439 L HA 0.577 5.016 4.340 0.165 0.000 0.273 439 L C -1.403 175.377 176.870 -0.149 0.000 0.990 439 L CA -0.786 54.043 54.840 -0.019 0.000 0.821 439 L CB 1.268 43.363 42.059 0.059 0.000 1.279 439 L HN 0.587 nan 8.230 nan 0.000 0.412 440 Y N 2.661 123.174 120.300 0.355 0.000 2.570 440 Y HA 0.658 5.308 4.550 0.167 0.000 0.345 440 Y C -0.399 175.435 175.900 -0.110 0.000 1.014 440 Y CA -0.787 57.420 58.100 0.179 0.000 1.063 440 Y CB 2.425 40.912 38.460 0.046 0.000 1.272 440 Y HN 0.359 nan 8.280 nan 0.000 0.477 441 I N 3.023 123.408 120.570 -0.310 0.000 2.545 441 I HA 0.626 4.895 4.170 0.165 0.000 0.292 441 I C -1.392 174.582 176.117 -0.239 0.000 1.040 441 I CA -0.860 60.082 61.300 -0.597 0.000 1.068 441 I CB 1.504 38.701 38.000 -1.339 0.000 1.251 441 I HN 0.811 nan 8.210 nan 0.000 0.424 442 M N 6.721 126.229 119.600 -0.154 0.000 2.421 442 M HA 0.769 5.348 4.480 0.165 0.000 0.287 442 M C -1.410 174.880 176.300 -0.017 0.000 1.183 442 M CA -0.241 55.013 55.300 -0.076 0.000 0.916 442 M CB 2.275 34.860 32.600 -0.025 0.000 1.701 442 M HN 0.716 nan 8.290 nan 0.000 0.470 443 G N 2.165 110.954 108.800 -0.018 0.000 2.547 443 G HA2 0.544 4.603 3.960 0.165 0.000 0.291 443 G HA3 0.544 4.603 3.960 0.165 0.000 0.291 443 G C -2.671 172.237 174.900 0.012 0.000 1.471 443 G CA -0.523 44.633 45.100 0.092 0.000 0.798 443 G HN 0.685 nan 8.290 nan 0.000 0.504 444 Y N 0.309 120.624 120.300 0.026 0.000 2.524 444 Y HA 0.658 5.303 4.550 0.160 0.000 0.344 444 Y C 1.140 177.054 175.900 0.023 0.000 1.012 444 Y CA 0.573 58.664 58.100 -0.014 0.000 1.068 444 Y CB 2.415 40.849 38.460 -0.044 0.000 1.249 444 Y HN 1.267 nan 8.280 nan 0.000 0.468 445 S N 0.911 116.673 115.700 0.103 0.000 4.064 445 S HA -0.431 4.138 4.470 0.165 0.000 0.625 445 S C 0.950 175.661 174.600 0.186 0.000 2.010 445 S CA 1.548 59.866 58.200 0.198 0.000 4.186 445 S CB -1.495 61.917 63.200 0.353 0.000 0.211 445 S HN 0.862 nan 8.310 nan 0.000 0.605 446 Y N 2.248 122.647 120.300 0.165 0.000 2.315 446 Y HA 0.041 4.691 4.550 0.166 0.000 0.288 446 Y C 2.367 178.365 175.900 0.163 0.000 1.154 446 Y CA 2.549 60.761 58.100 0.187 0.000 1.229 446 Y CB -0.963 37.641 38.460 0.241 0.000 0.980 446 Y HN 0.586 nan 8.280 nan 0.000 0.540 447 G N -1.133 107.812 108.800 0.242 0.000 2.422 447 G HA2 -0.199 3.860 3.960 0.165 0.000 0.218 447 G HA3 -0.199 3.860 3.960 0.165 0.000 0.218 447 G C 1.884 176.771 174.900 -0.022 0.000 1.140 447 G CA 0.688 45.857 45.100 0.116 0.000 0.775 447 G HN 0.541 nan 8.290 nan 0.000 0.545 448 G N -0.343 108.435 108.800 -0.038 0.000 2.421 448 G HA2 -0.169 3.890 3.960 0.165 0.000 0.217 448 G HA3 -0.169 3.890 3.960 0.165 0.000 0.217 448 G C 1.570 176.397 174.900 -0.122 0.000 1.143 448 G CA 0.907 45.931 45.100 -0.126 0.000 0.784 448 G HN 0.380 nan 8.290 nan 0.000 0.541 449 Y N 1.048 121.179 120.300 -0.282 0.000 2.114 449 Y HA -0.165 4.482 4.550 0.161 0.000 0.282 449 Y C 2.709 178.402 175.900 -0.345 0.000 1.165 449 Y CA 1.676 59.542 58.100 -0.390 0.000 1.148 449 Y CB -0.090 37.985 38.460 -0.642 0.000 0.972 449 Y HN 0.081 nan 8.280 nan 0.000 0.504 450 M N -0.518 118.839 119.600 -0.405 0.000 2.159 450 M HA -0.193 4.385 4.480 0.165 0.000 0.263 450 M C 2.048 178.167 176.300 -0.302 0.000 1.063 450 M CA 1.973 57.023 55.300 -0.415 0.000 1.110 450 M CB -1.467 30.948 32.600 -0.307 0.000 1.374 450 M HN 0.266 nan 8.290 nan 0.000 0.411 451 T N 1.648 116.055 114.554 -0.244 0.000 2.635 451 T HA -0.160 4.289 4.350 0.165 0.000 0.267 451 T C 2.004 176.589 174.700 -0.192 0.000 1.040 451 T CA 1.343 63.309 62.100 -0.222 0.000 1.156 451 T CB -0.409 68.339 68.868 -0.201 0.000 0.863 451 T HN 0.328 nan 8.240 nan 0.000 0.430 452 L N 0.288 121.386 121.223 -0.209 0.000 2.046 452 L HA -0.106 4.333 4.340 0.165 0.000 0.208 452 L C 2.954 179.706 176.870 -0.197 0.000 1.077 452 L CA 0.913 55.646 54.840 -0.178 0.000 0.747 452 L CB -0.739 41.222 42.059 -0.162 0.000 0.896 452 L HN 0.399 nan 8.230 nan 0.000 0.432 453 C N -0.189 118.911 119.300 -0.333 0.000 2.429 453 C HA -0.138 4.421 4.460 0.165 0.000 0.277 453 C C 3.162 178.052 174.990 -0.167 0.000 1.262 453 C CA 0.701 59.530 59.018 -0.316 0.000 1.733 453 C CB -1.051 26.370 27.740 -0.532 0.000 2.010 453 C HN 0.617 nan 8.230 nan 0.000 0.483 454 A N 0.272 123.021 122.820 -0.119 0.000 1.877 454 A HA -0.088 4.331 4.320 0.165 0.000 0.216 454 A C 1.916 179.535 177.584 0.059 0.000 1.186 454 A CA 1.561 53.616 52.037 0.030 0.000 0.620 454 A CB -0.531 18.557 19.000 0.147 0.000 0.822 454 A HN 0.483 nan 8.150 nan 0.000 0.443 455 L N 0.258 121.494 121.223 0.022 0.000 2.217 455 L HA -0.096 4.342 4.340 0.165 0.000 0.211 455 L C 2.827 179.705 176.870 0.013 0.000 1.107 455 L CA 2.130 56.995 54.840 0.042 0.000 0.783 455 L CB -0.735 41.341 42.059 0.028 0.000 0.919 455 L HN 0.648 nan 8.230 nan 0.000 0.442 456 T N -4.757 109.785 114.554 -0.020 0.000 2.894 456 T HA -0.041 4.408 4.350 0.165 0.000 0.258 456 T C 1.703 176.371 174.700 -0.054 0.000 1.043 456 T CA 0.668 62.757 62.100 -0.019 0.000 1.141 456 T CB -0.065 68.803 68.868 -0.000 0.000 0.873 456 T HN 0.022 nan 8.240 nan 0.000 0.449 457 M N 0.475 120.029 119.600 -0.076 0.000 2.516 457 M HA 0.318 4.897 4.480 0.165 0.000 0.259 457 M C 0.572 176.840 176.300 -0.053 0.000 1.146 457 M CA 0.756 55.998 55.300 -0.097 0.000 1.122 457 M CB -0.181 32.348 32.600 -0.118 0.000 1.341 457 M HN 0.127 nan 8.290 nan 0.000 0.478 458 K N 1.199 121.587 120.400 -0.019 0.000 3.237 458 K HA 0.343 4.762 4.320 0.165 0.000 0.197 458 K C -2.578 174.026 176.600 0.007 0.000 1.133 458 K CA -1.383 54.898 56.287 -0.010 0.000 0.944 458 K CB 0.650 33.153 32.500 0.004 0.000 0.952 458 K HN 0.107 nan 8.250 nan 0.000 0.515 459 P HA -0.032 nan 4.420 nan 0.000 0.266 459 P C 0.858 178.157 177.300 -0.002 0.000 1.195 459 P CA 1.091 64.203 63.100 0.019 0.000 0.768 459 P CB 0.788 32.496 31.700 0.014 0.000 0.838 460 G N 1.701 110.504 108.800 0.004 0.000 2.217 460 G HA2 -0.318 3.741 3.960 0.165 0.000 0.246 460 G HA3 -0.318 3.741 3.960 0.165 0.000 0.246 460 G C 0.597 175.446 174.900 -0.085 0.000 0.990 460 G CA 0.288 45.372 45.100 -0.027 0.000 0.627 460 G HN 0.557 nan 8.290 nan 0.000 0.522 461 L N 0.109 121.251 121.223 -0.135 0.000 2.027 461 L HA 0.499 4.938 4.340 0.165 0.000 0.206 461 L C 1.127 177.686 176.870 -0.518 0.000 1.074 461 L CA 1.403 56.033 54.840 -0.350 0.000 0.745 461 L CB -0.396 41.385 42.059 -0.463 0.000 0.898 461 L HN 0.243 nan 8.230 nan 0.000 0.433 462 F N -0.784 119.147 119.950 -0.030 0.000 2.432 462 F HA 0.288 4.916 4.527 0.169 0.000 0.329 462 F C 1.532 177.290 175.800 -0.070 0.000 1.076 462 F CA -0.481 57.487 58.000 -0.054 0.000 1.018 462 F CB 1.037 40.035 39.000 -0.003 0.000 1.201 462 F HN -0.224 nan 8.300 nan 0.000 0.489 463 K N 1.202 121.621 120.400 0.030 0.000 2.167 463 K HA 0.399 4.817 4.320 0.165 0.000 0.203 463 K C -0.173 176.510 176.600 0.137 0.000 1.052 463 K CA 0.900 57.169 56.287 -0.030 0.000 0.956 463 K CB 0.233 32.567 32.500 -0.277 0.000 0.735 463 K HN 0.724 nan 8.250 nan 0.000 0.451 464 A N -0.580 122.399 122.820 0.265 0.000 2.597 464 A HA 0.593 5.011 4.320 0.165 0.000 0.292 464 A C -1.068 176.746 177.584 0.384 0.000 1.057 464 A CA -0.459 51.816 52.037 0.396 0.000 0.674 464 A CB 1.407 20.674 19.000 0.445 0.000 1.278 464 A HN 0.192 nan 8.150 nan 0.000 0.416 465 G N -0.455 108.541 108.800 0.328 0.000 2.591 465 G HA2 0.632 4.691 3.960 0.165 0.000 0.306 465 G HA3 0.632 4.691 3.960 0.165 0.000 0.306 465 G C -1.516 173.390 174.900 0.009 0.000 1.334 465 G CA -0.527 44.632 45.100 0.099 0.000 0.981 465 G HN 1.212 nan 8.290 nan 0.000 0.491 466 V N 0.977 120.839 119.914 -0.087 0.000 2.409 466 V HA 0.707 4.926 4.120 0.165 0.000 0.291 466 V C 0.234 176.181 176.094 -0.245 0.000 1.020 466 V CA -0.755 61.414 62.300 -0.219 0.000 0.848 466 V CB 1.374 33.094 31.823 -0.171 0.000 0.990 466 V HN 1.111 nan 8.190 nan 0.000 0.430 467 A N 3.863 126.521 122.820 -0.270 0.000 2.293 467 A HA 0.800 5.219 4.320 0.165 0.000 0.312 467 A C 0.327 177.707 177.584 -0.340 0.000 1.309 467 A CA -0.177 51.700 52.037 -0.267 0.000 0.839 467 A CB 0.737 19.625 19.000 -0.186 0.000 1.155 467 A HN 0.992 nan 8.150 nan 0.000 0.501 468 G N 1.035 109.492 108.800 -0.570 0.000 2.356 468 G HA2 0.627 4.686 3.960 0.165 0.000 0.322 468 G HA3 0.627 4.686 3.960 0.165 0.000 0.322 468 G C 0.734 175.398 174.900 -0.392 0.000 1.125 468 G CA 0.122 44.815 45.100 -0.678 0.000 0.885 468 G HN 2.262 nan 8.290 nan 0.000 0.467 469 A N 1.149 123.694 122.820 -0.458 0.000 2.596 469 A HA -0.061 4.358 4.320 0.165 0.000 0.300 469 A C 1.205 178.635 177.584 -0.257 0.000 1.495 469 A CA 0.973 52.593 52.037 -0.695 0.000 0.769 469 A CB -2.128 16.644 19.000 -0.379 0.000 1.047 469 A HN 2.197 nan 8.150 nan 0.000 0.436 470 S N -1.211 114.444 115.700 -0.075 0.000 2.601 470 S HA 0.623 5.192 4.470 0.165 0.000 0.271 470 S C 0.208 174.800 174.600 -0.014 0.000 1.305 470 S CA -0.325 57.858 58.200 -0.028 0.000 1.022 470 S CB 1.777 64.945 63.200 -0.053 0.000 0.940 470 S HN 1.200 nan 8.310 nan 0.000 0.525 471 V N 3.091 122.920 119.914 -0.141 0.000 2.488 471 V HA 0.163 4.382 4.120 0.165 0.000 0.277 471 V C 0.797 176.754 176.094 -0.228 0.000 1.046 471 V CA -0.227 61.857 62.300 -0.360 0.000 0.986 471 V CB 0.865 32.116 31.823 -0.954 0.000 0.989 471 V HN 0.920 nan 8.190 nan 0.000 0.475 472 V N 2.351 122.124 119.914 -0.235 0.000 3.013 472 V HA 0.260 4.479 4.120 0.165 0.000 0.238 472 V C 0.113 176.112 176.094 -0.159 0.000 1.161 472 V CA 0.609 62.818 62.300 -0.151 0.000 1.170 472 V CB 0.605 32.348 31.823 -0.133 0.000 0.917 472 V HN 0.928 nan 8.190 nan 0.000 0.478 473 D N -1.880 118.402 120.400 -0.197 0.000 2.602 473 D HA 0.203 4.942 4.640 0.165 0.000 0.245 473 D C 0.106 176.354 176.300 -0.087 0.000 1.325 473 D CA -0.614 53.322 54.000 -0.107 0.000 0.952 473 D CB 0.971 41.748 40.800 -0.039 0.000 1.317 473 D HN 0.119 nan 8.370 nan 0.000 0.577 474 W N 2.237 123.542 121.300 0.008 0.000 2.342 474 W HA -0.094 4.669 4.660 0.173 0.000 0.297 474 W C 1.922 178.473 176.519 0.054 0.000 1.213 474 W CA 0.559 57.910 57.345 0.011 0.000 1.251 474 W CB 0.153 29.606 29.460 -0.011 0.000 1.136 474 W HN 0.514 nan 8.180 nan 0.000 0.526 475 E N 0.014 120.369 120.200 0.258 0.000 2.028 475 E HA -0.244 4.205 4.350 0.165 0.000 0.191 475 E C 1.948 178.658 176.600 0.184 0.000 0.988 475 E CA 1.359 57.868 56.400 0.182 0.000 0.799 475 E CB -0.415 29.349 29.700 0.108 0.000 0.755 475 E HN 0.376 nan 8.360 nan 0.000 0.447 476 E N 0.689 120.957 120.200 0.113 0.000 2.106 476 E HA -0.181 4.268 4.350 0.165 0.000 0.192 476 E C 2.130 178.784 176.600 0.090 0.000 0.984 476 E CA 0.635 57.083 56.400 0.080 0.000 0.806 476 E CB 0.002 29.716 29.700 0.023 0.000 0.750 476 E HN 0.160 nan 8.360 nan 0.000 0.458 477 M N -0.209 119.447 119.600 0.094 0.000 2.117 477 M HA -0.218 4.361 4.480 0.165 0.000 0.262 477 M C 2.079 178.482 176.300 0.170 0.000 1.065 477 M CA 1.516 56.868 55.300 0.087 0.000 1.114 477 M CB -0.234 32.395 32.600 0.048 0.000 1.361 477 M HN 0.217 nan 8.290 nan 0.000 0.408 478 Y N 1.550 121.929 120.300 0.133 0.000 2.128 478 Y HA -0.280 4.368 4.550 0.164 0.000 0.284 478 Y C 2.442 178.401 175.900 0.098 0.000 1.154 478 Y CA 3.122 61.308 58.100 0.143 0.000 1.149 478 Y CB -0.876 37.671 38.460 0.145 0.000 0.976 478 Y HN 0.463 nan 8.280 nan 0.000 0.505 479 E N 0.458 120.761 120.200 0.172 0.000 2.153 479 E HA -0.136 4.313 4.350 0.165 0.000 0.194 479 E C 1.881 178.473 176.600 -0.014 0.000 0.988 479 E CA 1.736 58.175 56.400 0.065 0.000 0.811 479 E CB -1.039 28.724 29.700 0.104 0.000 0.746 479 E HN 0.661 nan 8.360 nan 0.000 0.466 480 L N 0.662 121.885 121.223 0.000 0.000 2.592 480 L HA 0.175 4.614 4.340 0.165 0.000 0.227 480 L C 0.584 177.437 176.870 -0.028 0.000 1.127 480 L CA -0.207 54.624 54.840 -0.016 0.000 0.884 480 L CB 0.536 42.589 42.059 -0.010 0.000 1.065 480 L HN 0.050 nan 8.230 nan 0.000 0.457 481 S N 0.081 115.754 115.700 -0.045 0.000 2.610 481 S HA 0.182 4.751 4.470 0.165 0.000 0.273 481 S C -0.244 174.356 174.600 0.000 0.000 1.274 481 S CA -0.883 57.317 58.200 0.001 0.000 1.023 481 S CB 1.242 64.481 63.200 0.065 0.000 0.962 481 S HN 0.280 nan 8.310 nan 0.000 0.523 482 D N 0.993 121.443 120.400 0.084 0.000 2.384 482 D HA 0.340 5.079 4.640 0.165 0.000 0.244 482 D C 1.199 177.499 176.300 0.001 0.000 1.251 482 D CA -0.207 53.820 54.000 0.044 0.000 0.961 482 D CB 0.214 41.056 40.800 0.070 0.000 1.116 482 D HN 0.369 nan 8.370 nan 0.000 0.484 483 A N 0.596 123.381 122.820 -0.057 0.000 1.917 483 A HA -0.071 4.348 4.320 0.165 0.000 0.219 483 A C 2.217 179.719 177.584 -0.137 0.000 1.182 483 A CA 2.913 54.896 52.037 -0.090 0.000 0.633 483 A CB -1.410 17.532 19.000 -0.096 0.000 0.819 483 A HN 0.748 nan 8.150 nan 0.000 0.448 484 A N -1.318 121.318 122.820 -0.307 0.000 1.858 484 A HA -0.013 4.406 4.320 0.165 0.000 0.216 484 A C 2.017 179.378 177.584 -0.371 0.000 1.190 484 A CA 1.563 53.156 52.037 -0.741 0.000 0.617 484 A CB -0.759 17.237 19.000 -1.673 0.000 0.827 484 A HN 0.492 nan 8.150 nan 0.000 0.443 485 F N -0.337 119.610 119.950 -0.005 0.000 2.259 485 F HA -0.051 4.578 4.527 0.170 0.000 0.298 485 F C 2.593 178.551 175.800 0.263 0.000 1.088 485 F CA 1.265 59.440 58.000 0.292 0.000 1.358 485 F CB -0.142 38.993 39.000 0.225 0.000 1.040 485 F HN 0.092 nan 8.300 nan 0.000 0.505 486 R N 0.140 120.767 120.500 0.212 0.000 2.091 486 R HA -0.218 4.220 4.340 0.165 0.000 0.238 486 R C 2.152 178.644 176.300 0.319 0.000 1.136 486 R CA 1.549 57.700 56.100 0.085 0.000 0.959 486 R CB -0.758 29.384 30.300 -0.264 0.000 0.856 486 R HN 0.322 nan 8.270 nan 0.000 0.437 487 N N 0.422 119.267 118.700 0.241 0.000 2.120 487 N HA -0.190 4.648 4.740 0.165 0.000 0.188 487 N C 1.668 177.394 175.510 0.360 0.000 1.024 487 N CA 1.195 54.406 53.050 0.268 0.000 0.852 487 N CB -0.059 38.554 38.487 0.210 0.000 1.003 487 N HN 0.087 nan 8.380 nan 0.000 0.424 488 F N 1.552 121.669 119.950 0.278 0.000 2.146 488 F HA 0.051 4.676 4.527 0.163 0.000 0.298 488 F C 2.313 178.238 175.800 0.208 0.000 1.096 488 F CA 0.634 58.794 58.000 0.266 0.000 1.275 488 F CB -0.402 38.768 39.000 0.283 0.000 1.008 488 F HN -0.040 nan 8.300 nan 0.000 0.480 489 I N 0.316 121.100 120.570 0.356 0.000 2.208 489 I HA -0.318 3.950 4.170 0.165 0.000 0.245 489 I C 2.231 178.347 176.117 -0.002 0.000 1.097 489 I CA 1.685 63.112 61.300 0.211 0.000 1.363 489 I CB -0.364 37.928 38.000 0.486 0.000 1.051 489 I HN 0.183 nan 8.210 nan 0.000 0.413 490 E N -0.076 120.192 120.200 0.112 0.000 2.077 490 E HA -0.281 4.168 4.350 0.165 0.000 0.193 490 E C 2.222 178.791 176.600 -0.052 0.000 0.989 490 E CA 1.192 57.605 56.400 0.021 0.000 0.800 490 E CB -0.094 29.677 29.700 0.119 0.000 0.746 490 E HN 0.561 nan 8.360 nan 0.000 0.452 491 Q N 0.259 120.034 119.800 -0.040 0.000 2.046 491 Q HA -0.118 4.321 4.340 0.165 0.000 0.200 491 Q C 2.402 178.294 176.000 -0.179 0.000 0.975 491 Q CA 0.904 56.668 55.803 -0.065 0.000 0.836 491 Q CB -0.050 28.686 28.738 -0.003 0.000 0.896 491 Q HN 0.325 nan 8.270 nan 0.000 0.428 492 L N 0.484 121.498 121.223 -0.349 0.000 2.083 492 L HA -0.130 4.309 4.340 0.165 0.000 0.209 492 L C 2.347 179.001 176.870 -0.360 0.000 1.083 492 L CA 1.697 56.293 54.840 -0.406 0.000 0.752 492 L CB -0.637 41.086 42.059 -0.559 0.000 0.899 492 L HN 0.418 nan 8.230 nan 0.000 0.433 493 T N -3.892 110.427 114.554 -0.392 0.000 3.144 493 T HA 0.175 4.624 4.350 0.165 0.000 0.249 493 T C 1.334 175.907 174.700 -0.212 0.000 1.089 493 T CA 0.353 62.230 62.100 -0.373 0.000 0.989 493 T CB 0.180 68.769 68.868 -0.465 0.000 0.992 493 T HN 0.448 nan 8.240 nan 0.000 0.540 494 G N 1.218 109.926 108.800 -0.152 0.000 2.283 494 G HA2 0.030 4.089 3.960 0.165 0.000 0.280 494 G HA3 0.030 4.089 3.960 0.165 0.000 0.280 494 G C 1.107 175.958 174.900 -0.081 0.000 1.029 494 G CA 0.324 45.371 45.100 -0.088 0.000 0.840 494 G HN 1.772 nan 8.290 nan 0.000 0.505 495 G N -1.784 106.955 108.800 -0.102 0.000 2.155 495 G HA2 -0.006 4.053 3.960 0.165 0.000 0.257 495 G HA3 -0.006 4.053 3.960 0.165 0.000 0.257 495 G C 0.514 175.346 174.900 -0.112 0.000 0.983 495 G CA 1.315 46.358 45.100 -0.095 0.000 0.676 495 G HN 2.216 nan 8.290 nan 0.000 0.528 496 S N -0.698 114.926 115.700 -0.126 0.000 2.422 496 S HA 0.561 5.130 4.470 0.165 0.000 0.308 496 S C 1.401 175.926 174.600 -0.125 0.000 1.097 496 S CA 0.292 58.429 58.200 -0.105 0.000 1.099 496 S CB 1.195 64.345 63.200 -0.083 0.000 0.976 496 S HN 0.538 nan 8.310 nan 0.000 0.471 497 R N 3.222 123.657 120.500 -0.109 0.000 2.148 497 R HA -0.064 4.375 4.340 0.165 0.000 0.227 497 R C 1.797 178.068 176.300 -0.048 0.000 1.103 497 R CA 1.765 57.809 56.100 -0.094 0.000 0.983 497 R CB -0.193 30.058 30.300 -0.081 0.000 0.874 497 R HN 0.704 nan 8.270 nan 0.000 0.451 498 E N 0.645 120.823 120.200 -0.038 0.000 2.051 498 E HA -0.145 4.303 4.350 0.165 0.000 0.192 498 E C 1.669 178.267 176.600 -0.003 0.000 0.991 498 E CA 1.406 57.798 56.400 -0.012 0.000 0.799 498 E CB -0.131 29.564 29.700 -0.009 0.000 0.748 498 E HN 0.291 nan 8.360 nan 0.000 0.449 499 I N 0.415 120.964 120.570 -0.035 0.000 2.264 499 I HA -0.268 4.001 4.170 0.165 0.000 0.248 499 I C 2.374 178.468 176.117 -0.038 0.000 1.111 499 I CA 1.336 62.609 61.300 -0.045 0.000 1.382 499 I CB -0.899 37.033 38.000 -0.112 0.000 1.060 499 I HN 0.315 nan 8.210 nan 0.000 0.418 500 M N -0.340 119.218 119.600 -0.071 0.000 2.149 500 M HA -0.241 4.338 4.480 0.165 0.000 0.261 500 M C 2.453 178.867 176.300 0.190 0.000 1.064 500 M CA 1.922 57.240 55.300 0.029 0.000 1.102 500 M CB -0.286 32.314 32.600 -0.000 0.000 1.369 500 M HN 0.148 nan 8.290 nan 0.000 0.408 501 R N -0.638 119.925 120.500 0.105 0.000 2.057 501 R HA -0.041 4.398 4.340 0.165 0.000 0.224 501 R C 2.498 178.871 176.300 0.122 0.000 1.136 501 R CA 1.655 57.813 56.100 0.096 0.000 0.968 501 R CB -0.514 29.810 30.300 0.041 0.000 0.863 501 R HN 0.409 nan 8.270 nan 0.000 0.433 502 S N 0.788 116.562 115.700 0.124 0.000 2.419 502 S HA -0.067 4.502 4.470 0.165 0.000 0.233 502 S C 1.521 176.287 174.600 0.278 0.000 1.016 502 S CA 0.812 59.121 58.200 0.183 0.000 0.974 502 S CB 0.050 63.326 63.200 0.127 0.000 0.786 502 S HN 0.131 nan 8.310 nan 0.000 0.492 503 R N 1.310 121.975 120.500 0.275 0.000 2.427 503 R HA 0.401 4.840 4.340 0.165 0.000 0.262 503 R C -0.299 176.309 176.300 0.515 0.000 0.943 503 R CA -0.023 56.295 56.100 0.363 0.000 1.081 503 R CB -0.353 30.159 30.300 0.353 0.000 1.166 503 R HN 0.290 nan 8.270 nan 0.000 0.534 504 S N 2.786 118.724 115.700 0.397 0.000 2.438 504 S HA 0.229 4.798 4.470 0.165 0.000 0.293 504 S C -1.651 173.053 174.600 0.173 0.000 1.141 504 S CA -1.222 57.140 58.200 0.270 0.000 1.080 504 S CB 1.805 65.106 63.200 0.167 0.000 0.978 504 S HN -0.001 nan 8.310 nan 0.000 0.479 505 P HA -0.032 nan 4.420 nan 0.000 0.222 505 P C 1.250 178.559 177.300 0.015 0.000 1.147 505 P CA 0.486 63.629 63.100 0.071 0.000 0.790 505 P CB 0.081 31.759 31.700 -0.037 0.000 0.780 506 I N -0.317 120.235 120.570 -0.029 0.000 2.567 506 I HA -0.184 4.085 4.170 0.165 0.000 0.257 506 I C 1.130 177.189 176.117 -0.096 0.000 1.184 506 I CA 1.188 62.448 61.300 -0.067 0.000 1.451 506 I CB -0.138 37.817 38.000 -0.074 0.000 1.089 506 I HN -0.112 nan 8.210 nan 0.000 0.441 507 N N -0.221 118.385 118.700 -0.157 0.000 2.383 507 N HA 0.015 4.853 4.740 0.165 0.000 0.192 507 N C 0.247 175.437 175.510 -0.534 0.000 1.141 507 N CA 0.573 53.427 53.050 -0.328 0.000 0.851 507 N CB 0.059 38.311 38.487 -0.393 0.000 0.976 507 N HN 0.481 nan 8.380 nan 0.000 0.465 508 H N -0.937 118.124 119.070 -0.014 0.000 2.777 508 H HA 0.222 4.876 4.556 0.164 0.000 0.244 508 H C 1.390 176.703 175.328 -0.024 0.000 1.185 508 H CA -0.151 55.888 56.048 -0.015 0.000 0.945 508 H CB 0.364 30.118 29.762 -0.014 0.000 1.994 508 H HN -0.110 nan 8.280 nan 0.000 0.638 509 V N 1.515 121.450 119.914 0.034 0.000 2.469 509 V HA -0.268 3.951 4.120 0.165 0.000 0.251 509 V C 2.380 178.485 176.094 0.018 0.000 1.064 509 V CA 2.327 64.630 62.300 0.005 0.000 1.066 509 V CB -0.232 31.568 31.823 -0.039 0.000 0.667 509 V HN 0.598 nan 8.190 nan 0.000 0.461 510 D N 0.370 120.786 120.400 0.026 0.000 2.228 510 D HA -0.263 4.476 4.640 0.165 0.000 0.203 510 D C 1.910 178.232 176.300 0.036 0.000 0.988 510 D CA 1.068 55.086 54.000 0.029 0.000 0.864 510 D CB -0.366 40.451 40.800 0.030 0.000 0.928 510 D HN 0.391 nan 8.370 nan 0.000 0.469 511 R N 0.279 120.806 120.500 0.046 0.000 2.276 511 R HA 0.190 4.628 4.340 0.165 0.000 0.203 511 R C 0.951 177.268 176.300 0.029 0.000 1.017 511 R CA -0.083 56.038 56.100 0.035 0.000 1.010 511 R CB 0.072 30.391 30.300 0.031 0.000 0.900 511 R HN 0.326 nan 8.270 nan 0.000 0.469 512 I N 2.081 122.670 120.570 0.031 0.000 2.556 512 I HA -0.058 4.211 4.170 0.165 0.000 0.284 512 I C 1.318 177.462 176.117 0.045 0.000 1.114 512 I CA 0.572 61.893 61.300 0.035 0.000 1.418 512 I CB 0.638 38.655 38.000 0.029 0.000 1.394 512 I HN -0.179 nan 8.210 nan 0.000 0.552 513 K N 4.110 124.541 120.400 0.052 0.000 2.450 513 K HA 0.256 4.675 4.320 0.165 0.000 0.206 513 K C -0.093 176.549 176.600 0.071 0.000 1.148 513 K CA 0.131 56.450 56.287 0.053 0.000 1.014 513 K CB 0.682 33.206 32.500 0.040 0.000 0.966 513 K HN 0.503 nan 8.250 nan 0.000 0.566 514 E N 1.212 121.466 120.200 0.090 0.000 2.212 514 E HA 0.298 4.747 4.350 0.165 0.000 0.270 514 E C -2.659 174.036 176.600 0.158 0.000 0.956 514 E CA -2.294 54.179 56.400 0.122 0.000 0.825 514 E CB 1.112 30.897 29.700 0.142 0.000 1.167 514 E HN -0.168 nan 8.360 nan 0.000 0.400 515 P HA 0.033 nan 4.420 nan 0.000 0.265 515 P C -1.194 176.330 177.300 0.373 0.000 1.193 515 P CA -0.174 63.102 63.100 0.293 0.000 0.765 515 P CB 0.343 32.231 31.700 0.314 0.000 0.823 516 L N 2.711 124.093 121.223 0.265 0.000 2.410 516 L HA 0.749 5.188 4.340 0.165 0.000 0.270 516 L C -1.142 175.609 176.870 -0.198 0.000 0.983 516 L CA -0.892 53.979 54.840 0.052 0.000 0.822 516 L CB 1.772 43.856 42.059 0.041 0.000 1.285 516 L HN 0.421 nan 8.230 nan 0.000 0.409 517 A N 6.057 128.510 122.820 -0.612 0.000 2.287 517 A HA 0.752 5.170 4.320 0.165 0.000 0.317 517 A C -1.209 176.188 177.584 -0.311 0.000 1.220 517 A CA -0.496 51.161 52.037 -0.633 0.000 0.835 517 A CB 0.519 18.761 19.000 -1.264 0.000 1.180 517 A HN 0.711 nan 8.150 nan 0.000 0.500 518 L N 3.197 124.337 121.223 -0.139 0.000 2.295 518 L HA 0.595 5.034 4.340 0.165 0.000 0.285 518 L C -0.659 176.198 176.870 -0.020 0.000 1.035 518 L CA -0.249 54.538 54.840 -0.088 0.000 0.806 518 L CB 1.323 43.348 42.059 -0.057 0.000 1.214 518 L HN 0.578 nan 8.230 nan 0.000 0.426 519 I N 2.146 122.690 120.570 -0.043 0.000 2.533 519 I HA 0.389 4.658 4.170 0.165 0.000 0.290 519 I C -1.064 175.063 176.117 0.017 0.000 1.056 519 I CA -0.503 60.807 61.300 0.016 0.000 1.057 519 I CB 2.093 40.067 38.000 -0.043 0.000 1.240 519 I HN 0.573 nan 8.210 nan 0.000 0.423 520 H N 5.909 124.979 119.070 -0.001 0.000 3.083 520 H HA 0.343 4.988 4.556 0.149 0.000 0.339 520 H C -2.774 172.563 175.328 0.015 0.000 1.020 520 H CA -1.282 54.762 56.048 -0.006 0.000 1.360 520 H CB 2.741 32.486 29.762 -0.030 0.000 1.811 520 H HN 0.227 nan 8.280 nan 0.000 0.493 521 P HA -0.020 nan 4.420 nan 0.000 0.271 521 P C 0.312 177.711 177.300 0.165 0.000 1.220 521 P CA -0.068 63.087 63.100 0.092 0.000 0.768 521 P CB 0.859 32.582 31.700 0.037 0.000 0.848 522 Q N 2.738 122.602 119.800 0.107 0.000 2.167 522 Q HA -0.148 4.291 4.340 0.165 0.000 0.202 522 Q C 0.493 176.535 176.000 0.069 0.000 0.970 522 Q CA 1.465 57.317 55.803 0.081 0.000 0.855 522 Q CB -0.467 28.297 28.738 0.044 0.000 0.911 522 Q HN 0.270 nan 8.270 nan 0.000 0.438 523 N N 0.695 119.435 118.700 0.066 0.000 2.235 523 N HA 0.249 5.088 4.740 0.165 0.000 0.209 523 N C -0.731 174.813 175.510 0.057 0.000 1.122 523 N CA 0.499 53.577 53.050 0.046 0.000 0.845 523 N CB 0.743 39.249 38.487 0.031 0.000 1.004 523 N HN 0.371 nan 8.380 nan 0.000 0.499 524 A N 0.836 123.715 122.820 0.098 0.000 2.561 524 A HA 0.104 4.523 4.320 0.165 0.000 0.251 524 A C 1.301 178.915 177.584 0.050 0.000 1.062 524 A CA 0.271 52.372 52.037 0.106 0.000 0.761 524 A CB 0.077 19.177 19.000 0.166 0.000 0.986 524 A HN 0.323 nan 8.150 nan 0.000 0.510 525 S N 2.277 117.973 115.700 -0.008 0.000 2.524 525 S HA 0.056 4.625 4.470 0.165 0.000 0.215 525 S C 1.441 175.904 174.600 -0.229 0.000 0.986 525 S CA 0.049 58.204 58.200 -0.075 0.000 0.911 525 S CB 0.105 63.274 63.200 -0.053 0.000 0.805 525 S HN 0.785 nan 8.310 nan 0.000 0.501 526 R N 1.928 122.233 120.500 -0.324 0.000 2.055 526 R HA 0.108 4.547 4.340 0.165 0.000 0.221 526 R C 0.475 176.570 176.300 -0.342 0.000 1.154 526 R CA 1.338 57.022 56.100 -0.694 0.000 0.975 526 R CB -0.761 29.053 30.300 -0.810 0.000 0.869 526 R HN 0.505 nan 8.270 nan 0.000 0.437 527 T N 1.647 116.135 114.554 -0.110 0.000 3.016 527 T HA 0.356 4.805 4.350 0.165 0.000 0.335 527 T C -2.494 172.298 174.700 0.153 0.000 1.176 527 T CA -2.223 59.886 62.100 0.014 0.000 0.987 527 T CB 1.305 70.213 68.868 0.067 0.000 1.073 527 T HN -0.069 nan 8.240 nan 0.000 0.547 528 P HA 0.165 nan 4.420 nan 0.000 0.274 528 P C 0.826 178.044 177.300 -0.136 0.000 1.256 528 P CA -0.810 62.290 63.100 0.000 0.000 0.795 528 P CB 0.984 32.658 31.700 -0.043 0.000 1.038 529 L N 1.227 122.342 121.223 -0.180 0.000 2.131 529 L HA -0.003 4.436 4.340 0.165 0.000 0.206 529 L C 2.481 179.195 176.870 -0.259 0.000 1.087 529 L CA 1.784 56.411 54.840 -0.355 0.000 0.767 529 L CB -1.046 40.909 42.059 -0.174 0.000 0.917 529 L HN 0.301 nan 8.230 nan 0.000 0.441 530 K N -0.236 120.074 120.400 -0.151 0.000 2.044 530 K HA -0.176 4.243 4.320 0.165 0.000 0.210 530 K C -0.581 175.944 176.600 -0.124 0.000 1.049 530 K CA 2.127 58.347 56.287 -0.112 0.000 0.927 530 K CB -0.994 31.464 32.500 -0.071 0.000 0.713 530 K HN 0.303 nan 8.250 nan 0.000 0.443 531 P HA -0.132 nan 4.420 nan 0.000 0.218 531 P C 1.188 178.390 177.300 -0.163 0.000 1.149 531 P CA 0.788 63.812 63.100 -0.126 0.000 0.817 531 P CB 0.063 31.694 31.700 -0.115 0.000 0.785 532 L N -0.840 120.244 121.223 -0.231 0.000 2.046 532 L HA -0.137 4.301 4.340 0.165 0.000 0.208 532 L C 2.200 178.949 176.870 -0.201 0.000 1.077 532 L CA 1.688 56.378 54.840 -0.250 0.000 0.747 532 L CB -1.123 40.696 42.059 -0.401 0.000 0.896 532 L HN -0.136 nan 8.230 nan 0.000 0.432 533 L N -1.021 120.100 121.223 -0.171 0.000 2.083 533 L HA -0.227 4.212 4.340 0.165 0.000 0.209 533 L C 2.736 179.539 176.870 -0.113 0.000 1.083 533 L CA 1.444 56.212 54.840 -0.121 0.000 0.752 533 L CB -0.572 41.432 42.059 -0.090 0.000 0.899 533 L HN 0.282 nan 8.230 nan 0.000 0.433 534 R N 0.188 120.621 120.500 -0.112 0.000 2.092 534 R HA -0.174 4.265 4.340 0.165 0.000 0.231 534 R C 2.301 178.526 176.300 -0.125 0.000 1.119 534 R CA 1.024 57.066 56.100 -0.098 0.000 0.970 534 R CB -0.145 30.107 30.300 -0.081 0.000 0.864 534 R HN 0.167 nan 8.270 nan 0.000 0.440 535 L N 0.721 121.849 121.223 -0.159 0.000 2.046 535 L HA -0.148 4.291 4.340 0.165 0.000 0.208 535 L C 2.024 178.718 176.870 -0.292 0.000 1.077 535 L CA 1.804 56.523 54.840 -0.201 0.000 0.747 535 L CB -0.318 41.614 42.059 -0.211 0.000 0.896 535 L HN 0.250 nan 8.230 nan 0.000 0.432 536 M N -0.947 118.459 119.600 -0.324 0.000 2.080 536 M HA -0.179 4.400 4.480 0.165 0.000 0.260 536 M C 2.195 178.364 176.300 -0.219 0.000 1.068 536 M CA 1.869 56.910 55.300 -0.431 0.000 1.109 536 M CB -1.218 31.254 32.600 -0.213 0.000 1.342 536 M HN 0.493 nan 8.290 nan 0.000 0.405 537 G N -0.150 108.583 108.800 -0.111 0.000 2.476 537 G HA2 -0.259 3.800 3.960 0.165 0.000 0.218 537 G HA3 -0.259 3.800 3.960 0.165 0.000 0.218 537 G C 1.440 176.307 174.900 -0.053 0.000 1.164 537 G CA 1.043 46.112 45.100 -0.051 0.000 0.768 537 G HN 0.319 nan 8.290 nan 0.000 0.560 538 E N 0.353 120.498 120.200 -0.091 0.000 2.047 538 E HA 0.008 4.456 4.350 0.165 0.000 0.191 538 E C 2.773 179.329 176.600 -0.072 0.000 0.987 538 E CA 0.449 56.803 56.400 -0.077 0.000 0.799 538 E CB -0.537 29.104 29.700 -0.097 0.000 0.752 538 E HN 0.460 nan 8.360 nan 0.000 0.449 539 L N 0.074 121.209 121.223 -0.147 0.000 2.042 539 L HA -0.214 4.225 4.340 0.165 0.000 0.210 539 L C 2.535 179.441 176.870 0.059 0.000 1.076 539 L CA 0.812 55.578 54.840 -0.122 0.000 0.749 539 L CB -0.441 41.341 42.059 -0.461 0.000 0.893 539 L HN 0.184 nan 8.230 nan 0.000 0.432 540 L N -0.017 121.268 121.223 0.103 0.000 2.005 540 L HA -0.133 4.306 4.340 0.165 0.000 0.207 540 L C 2.647 179.564 176.870 0.079 0.000 1.072 540 L CA 2.037 56.979 54.840 0.169 0.000 0.744 540 L CB -0.709 41.450 42.059 0.168 0.000 0.895 540 L HN 0.141 nan 8.230 nan 0.000 0.433 541 A N -0.456 122.386 122.820 0.037 0.000 1.978 541 A HA -0.202 4.216 4.320 0.165 0.000 0.220 541 A C 2.225 179.823 177.584 0.022 0.000 1.170 541 A CA 1.818 53.867 52.037 0.021 0.000 0.636 541 A CB -0.556 18.446 19.000 0.003 0.000 0.810 541 A HN 0.557 nan 8.150 nan 0.000 0.448 542 R N -1.345 119.169 120.500 0.022 0.000 2.388 542 R HA 0.277 4.716 4.340 0.165 0.000 0.247 542 R C 0.952 177.275 176.300 0.039 0.000 0.931 542 R CA 0.406 56.520 56.100 0.023 0.000 1.082 542 R CB -0.039 30.268 30.300 0.011 0.000 1.135 542 R HN 0.616 nan 8.270 nan 0.000 0.525 543 G N 2.089 110.922 108.800 0.054 0.000 2.221 543 G HA2 -0.265 3.794 3.960 0.165 0.000 0.265 543 G HA3 -0.265 3.794 3.960 0.165 0.000 0.265 543 G C -0.263 174.684 174.900 0.079 0.000 1.041 543 G CA 0.116 45.252 45.100 0.061 0.000 0.807 543 G HN 0.065 nan 8.290 nan 0.000 0.502 544 K N 0.063 120.531 120.400 0.113 0.000 2.118 544 K HA 0.600 5.019 4.320 0.165 0.000 0.267 544 K C 0.349 177.079 176.600 0.216 0.000 0.991 544 K CA -0.445 55.925 56.287 0.138 0.000 0.916 544 K CB 1.431 34.000 32.500 0.115 0.000 1.041 544 K HN 0.142 nan 8.250 nan 0.000 0.455 545 T N 2.881 117.542 114.554 0.178 0.000 2.806 545 T HA 0.626 5.075 4.350 0.165 0.000 0.290 545 T C -0.890 173.962 174.700 0.253 0.000 0.966 545 T CA -0.508 61.682 62.100 0.149 0.000 1.060 545 T CB -0.249 68.670 68.868 0.086 0.000 0.927 545 T HN 0.414 nan 8.240 nan 0.000 0.485 546 F N 1.975 121.940 119.950 0.025 0.000 2.713 546 F HA 0.739 5.350 4.527 0.140 0.000 0.311 546 F C -1.001 174.785 175.800 -0.024 0.000 1.141 546 F CA -1.234 56.765 58.000 -0.002 0.000 0.939 546 F CB 1.178 40.152 39.000 -0.043 0.000 1.325 546 F HN 0.574 nan 8.300 nan 0.000 0.453 547 E N 2.022 122.234 120.200 0.020 0.000 2.299 547 E HA 0.880 5.329 4.350 0.165 0.000 0.265 547 E C -1.713 174.863 176.600 -0.040 0.000 0.911 547 E CA -1.512 54.809 56.400 -0.131 0.000 0.789 547 E CB 2.443 32.107 29.700 -0.061 0.000 1.246 547 E HN 1.124 nan 8.360 nan 0.000 0.427 548 A N 2.109 124.771 122.820 -0.264 0.000 2.486 548 A HA 0.544 4.963 4.320 0.165 0.000 0.300 548 A C -1.516 175.709 177.584 -0.599 0.000 1.048 548 A CA -0.787 51.111 52.037 -0.231 0.000 0.696 548 A CB 1.426 20.456 19.000 0.049 0.000 1.278 548 A HN 0.691 nan 8.150 nan 0.000 0.405 549 H N 1.866 120.946 119.070 0.016 0.000 2.924 549 H HA 0.425 4.985 4.556 0.006 0.000 0.333 549 H C -1.320 174.023 175.328 0.024 0.000 0.979 549 H CA -0.247 55.806 56.048 0.008 0.000 1.326 549 H CB 1.390 31.143 29.762 -0.014 0.000 1.600 549 H HN 0.535 nan 8.280 nan 0.000 0.520 550 I N 4.601 125.235 120.570 0.106 0.000 2.362 550 I HA 0.237 4.506 4.170 0.165 0.000 0.289 550 I C -0.135 176.030 176.117 0.080 0.000 0.994 550 I CA -0.718 60.636 61.300 0.089 0.000 1.158 550 I CB 1.474 39.504 38.000 0.050 0.000 1.315 550 I HN 0.290 nan 8.210 nan 0.000 0.451 551 I N 8.978 129.595 120.570 0.078 0.000 2.359 551 I HA 0.354 4.623 4.170 0.165 0.000 0.294 551 I C -2.128 174.018 176.117 0.047 0.000 0.987 551 I CA -1.879 59.455 61.300 0.056 0.000 1.225 551 I CB 1.344 39.372 38.000 0.048 0.000 1.366 551 I HN 0.329 nan 8.210 nan 0.000 0.466 552 P HA 0.176 nan 4.420 nan 0.000 0.282 552 P C -0.755 176.562 177.300 0.029 0.000 1.249 552 P CA -0.079 63.039 63.100 0.030 0.000 0.806 552 P CB 0.807 32.521 31.700 0.024 0.000 0.984 553 D N -1.083 119.333 120.400 0.027 0.000 2.708 553 D HA -0.153 4.586 4.640 0.165 0.000 0.236 553 D C -0.124 176.194 176.300 0.031 0.000 1.146 553 D CA 1.675 55.691 54.000 0.025 0.000 0.662 553 D CB -1.492 39.320 40.800 0.020 0.000 1.059 553 D HN 0.660 nan 8.370 nan 0.000 0.428 554 A N -1.221 121.621 122.820 0.037 0.000 2.587 554 A HA 0.893 5.312 4.320 0.165 0.000 0.293 554 A C 0.496 178.109 177.584 0.050 0.000 1.087 554 A CA 0.033 52.095 52.037 0.042 0.000 0.692 554 A CB 2.087 21.110 19.000 0.038 0.000 1.291 554 A HN 0.320 nan 8.150 nan 0.000 0.407 555 G N -1.179 107.654 108.800 0.056 0.000 3.195 555 G HA2 0.425 4.484 3.960 0.165 0.000 0.217 555 G HA3 0.425 4.484 3.960 0.165 0.000 0.217 555 G C 0.328 175.273 174.900 0.075 0.000 1.166 555 G CA 0.365 45.509 45.100 0.074 0.000 0.812 555 G HN 0.881 nan 8.290 nan 0.000 0.617 556 H N -0.294 118.784 119.070 0.014 0.000 2.428 556 H HA 0.384 5.041 4.556 0.168 0.000 0.296 556 H C 1.620 176.959 175.328 0.020 0.000 1.062 556 H CA 1.408 57.462 56.048 0.009 0.000 1.350 556 H CB 0.115 29.886 29.762 0.015 0.000 1.403 556 H HN 0.461 nan 8.280 nan 0.000 0.533 557 A N 1.745 124.671 122.820 0.177 0.000 2.582 557 A HA 0.300 4.719 4.320 0.165 0.000 0.336 557 A C -0.407 177.221 177.584 0.075 0.000 1.445 557 A CA -0.565 51.550 52.037 0.130 0.000 0.997 557 A CB -0.477 18.629 19.000 0.176 0.000 1.148 557 A HN 0.296 nan 8.150 nan 0.000 0.514 558 I N 2.920 123.504 120.570 0.023 0.000 2.471 558 I HA 0.102 4.371 4.170 0.165 0.000 0.286 558 I C 0.280 176.428 176.117 0.050 0.000 1.079 558 I CA -0.051 61.264 61.300 0.025 0.000 1.398 558 I CB 0.409 38.401 38.000 -0.013 0.000 1.403 558 I HN 0.798 nan 8.210 nan 0.000 0.530 559 N N 3.458 122.215 118.700 0.095 0.000 2.241 559 N HA 0.035 4.873 4.740 0.165 0.000 0.238 559 N C -0.143 175.506 175.510 0.232 0.000 1.244 559 N CA -0.354 52.788 53.050 0.155 0.000 0.880 559 N CB 0.661 39.214 38.487 0.110 0.000 1.179 559 N HN 0.674 nan 8.380 nan 0.000 0.513 560 T N -4.003 110.688 114.554 0.228 0.000 2.903 560 T HA 0.353 4.802 4.350 0.165 0.000 0.299 560 T C 0.958 175.834 174.700 0.294 0.000 1.093 560 T CA -0.806 61.443 62.100 0.249 0.000 1.002 560 T CB 2.009 70.939 68.868 0.103 0.000 1.127 560 T HN -0.029 nan 8.240 nan 0.000 0.488 561 M N 1.100 120.914 119.600 0.356 0.000 2.108 561 M HA -0.058 4.521 4.480 0.165 0.000 0.261 561 M C 1.937 178.312 176.300 0.124 0.000 1.066 561 M CA 1.968 57.450 55.300 0.303 0.000 1.107 561 M CB -0.495 32.267 32.600 0.270 0.000 1.356 561 M HN 0.843 nan 8.290 nan 0.000 0.406 562 E N 0.197 120.448 120.200 0.084 0.000 2.077 562 E HA -0.212 4.236 4.350 0.165 0.000 0.193 562 E C 1.597 178.212 176.600 0.024 0.000 0.989 562 E CA 1.532 57.955 56.400 0.038 0.000 0.800 562 E CB -0.175 29.541 29.700 0.027 0.000 0.746 562 E HN 0.614 nan 8.360 nan 0.000 0.452 563 D N 0.180 120.603 120.400 0.039 0.000 2.149 563 D HA -0.052 4.687 4.640 0.165 0.000 0.201 563 D C 1.869 178.176 176.300 0.012 0.000 0.972 563 D CA 1.085 55.101 54.000 0.026 0.000 0.835 563 D CB -0.250 40.572 40.800 0.038 0.000 0.966 563 D HN 0.150 nan 8.370 nan 0.000 0.476 564 A N 0.766 123.599 122.820 0.021 0.000 1.877 564 A HA -0.153 4.266 4.320 0.165 0.000 0.216 564 A C 2.507 180.057 177.584 -0.056 0.000 1.186 564 A CA 1.333 53.370 52.037 0.000 0.000 0.620 564 A CB -0.849 18.147 19.000 -0.008 0.000 0.822 564 A HN 0.131 nan 8.150 nan 0.000 0.443 565 V N 0.334 120.217 119.914 -0.052 0.000 2.255 565 V HA -0.318 3.901 4.120 0.165 0.000 0.247 565 V C 2.453 178.457 176.094 -0.149 0.000 1.051 565 V CA 2.462 64.697 62.300 -0.109 0.000 1.018 565 V CB -0.739 31.039 31.823 -0.074 0.000 0.641 565 V HN 0.558 nan 8.190 nan 0.000 0.445 566 K N 0.018 120.360 120.400 -0.096 0.000 2.152 566 K HA -0.136 4.283 4.320 0.165 0.000 0.206 566 K C 2.033 178.573 176.600 -0.101 0.000 1.048 566 K CA 1.940 58.169 56.287 -0.097 0.000 0.933 566 K CB -0.321 32.155 32.500 -0.040 0.000 0.721 566 K HN 0.711 nan 8.250 nan 0.000 0.447 567 I N -1.929 118.597 120.570 -0.073 0.000 2.716 567 I HA -0.075 4.194 4.170 0.165 0.000 0.259 567 I C 1.928 177.974 176.117 -0.118 0.000 1.172 567 I CA 0.750 62.037 61.300 -0.022 0.000 1.478 567 I CB 0.003 38.045 38.000 0.071 0.000 1.104 567 I HN -0.036 nan 8.210 nan 0.000 0.439 568 L N 0.549 121.592 121.223 -0.299 0.000 2.221 568 L HA 0.160 4.598 4.340 0.165 0.000 0.202 568 L C 2.050 178.664 176.870 -0.427 0.000 1.074 568 L CA 1.281 55.798 54.840 -0.539 0.000 0.795 568 L CB -0.611 40.994 42.059 -0.758 0.000 0.960 568 L HN 0.222 nan 8.230 nan 0.000 0.458 569 L N 0.695 121.666 121.223 -0.420 0.000 2.017 569 L HA -0.044 4.395 4.340 0.165 0.000 0.208 569 L C -0.580 175.923 176.870 -0.611 0.000 1.073 569 L CA 2.046 56.528 54.840 -0.596 0.000 0.745 569 L CB -1.775 39.875 42.059 -0.681 0.000 0.894 569 L HN 0.171 nan 8.230 nan 0.000 0.432 570 P HA -0.198 nan 4.420 nan 0.000 0.216 570 P C 1.526 178.732 177.300 -0.156 0.000 1.153 570 P CA 2.103 64.965 63.100 -0.397 0.000 0.858 570 P CB -0.213 31.068 31.700 -0.698 0.000 0.789 571 A N -0.634 122.086 122.820 -0.166 0.000 1.877 571 A HA -0.154 4.265 4.320 0.165 0.000 0.216 571 A C 2.352 179.923 177.584 -0.021 0.000 1.186 571 A CA 2.042 54.035 52.037 -0.073 0.000 0.620 571 A CB -1.668 17.267 19.000 -0.108 0.000 0.822 571 A HN 0.065 nan 8.150 nan 0.000 0.443 572 V N -0.913 118.938 119.914 -0.106 0.000 2.358 572 V HA -0.180 4.039 4.120 0.165 0.000 0.246 572 V C 2.346 178.574 176.094 0.224 0.000 1.047 572 V CA 1.616 63.905 62.300 -0.018 0.000 1.035 572 V CB -1.028 30.760 31.823 -0.059 0.000 0.658 572 V HN 0.497 nan 8.190 nan 0.000 0.452 573 F N -0.052 119.925 119.950 0.044 0.000 2.126 573 F HA -0.158 4.461 4.527 0.152 0.000 0.299 573 F C 2.277 178.163 175.800 0.143 0.000 1.096 573 F CA 1.200 59.269 58.000 0.115 0.000 1.255 573 F CB -1.279 37.737 39.000 0.026 0.000 0.997 573 F HN 0.245 nan 8.300 nan 0.000 0.479 574 F N 0.565 120.620 119.950 0.176 0.000 2.075 574 F HA -0.182 4.452 4.527 0.178 0.000 0.297 574 F C 2.115 177.931 175.800 0.026 0.000 1.113 574 F CA 1.575 59.630 58.000 0.092 0.000 1.218 574 F CB -0.648 38.383 39.000 0.051 0.000 0.984 574 F HN -0.138 nan 8.300 nan 0.000 0.472 575 L N 0.077 121.270 121.223 -0.050 0.000 2.046 575 L HA -0.175 4.264 4.340 0.165 0.000 0.208 575 L C 2.849 179.678 176.870 -0.068 0.000 1.077 575 L CA 1.121 55.750 54.840 -0.352 0.000 0.747 575 L CB -1.300 40.373 42.059 -0.644 0.000 0.896 575 L HN 0.273 nan 8.230 nan 0.000 0.432 576 A N -0.286 122.631 122.820 0.162 0.000 1.908 576 A HA -0.232 4.187 4.320 0.165 0.000 0.218 576 A C 2.378 179.976 177.584 0.023 0.000 1.181 576 A CA 2.547 54.687 52.037 0.170 0.000 0.627 576 A CB -0.966 18.143 19.000 0.182 0.000 0.818 576 A HN 0.401 nan 8.150 nan 0.000 0.445 577 T N -0.313 114.238 114.554 -0.004 0.000 2.777 577 T HA -0.123 4.326 4.350 0.165 0.000 0.266 577 T C 2.093 176.738 174.700 -0.092 0.000 1.040 577 T CA 1.396 63.471 62.100 -0.042 0.000 1.141 577 T CB -0.237 68.629 68.868 -0.003 0.000 0.868 577 T HN 0.435 nan 8.240 nan 0.000 0.444 578 Q N 0.914 120.595 119.800 -0.199 0.000 2.135 578 Q HA -0.088 4.350 4.340 0.165 0.000 0.204 578 Q C 2.371 178.405 176.000 0.056 0.000 0.981 578 Q CA 1.255 56.981 55.803 -0.128 0.000 0.856 578 Q CB -0.388 28.211 28.738 -0.231 0.000 0.902 578 Q HN 0.480 nan 8.270 nan 0.000 0.425 579 R N 0.740 121.275 120.500 0.059 0.000 2.159 579 R HA -0.128 4.311 4.340 0.165 0.000 0.237 579 R C 1.270 177.592 176.300 0.036 0.000 1.131 579 R CA 1.062 57.231 56.100 0.115 0.000 0.982 579 R CB 0.257 30.574 30.300 0.028 0.000 0.868 579 R HN 0.116 nan 8.270 nan 0.000 0.453 580 E N -0.337 119.859 120.200 -0.008 0.000 2.478 580 E HA -0.004 4.445 4.350 0.165 0.000 0.194 580 E C 0.963 177.557 176.600 -0.011 0.000 1.045 580 E CA 0.470 56.854 56.400 -0.026 0.000 0.868 580 E CB 0.084 29.750 29.700 -0.056 0.000 0.885 580 E HN 0.363 nan 8.360 nan 0.000 0.505 581 R N 0.000 120.504 120.500 0.006 0.000 2.786 581 R HA 0.000 4.439 4.340 0.165 0.000 0.208 581 R CA 0.000 56.107 56.100 0.012 0.000 0.921 581 R CB 0.000 30.307 30.300 0.011 0.000 0.687 581 R HN 0.000 nan 8.270 nan 0.000 0.535