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 1ig9_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINSLYGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE F VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.339 176.300 0.065 0.000 1.140 1 M CA 0.000 55.325 55.300 0.042 0.000 0.988 1 M CB 0.000 32.636 32.600 0.060 0.000 1.302 2 K N 2.092 122.527 120.400 0.058 0.000 2.484 2 K HA 0.172 4.495 4.320 0.006 0.000 0.280 2 K C -0.332 176.425 176.600 0.262 0.000 1.013 2 K CA 0.286 56.614 56.287 0.069 0.000 1.029 2 K CB 0.423 32.935 32.500 0.022 0.000 0.902 2 K HN 0.631 nan 8.250 nan 0.000 0.481 3 E N 1.849 122.242 120.200 0.322 0.000 2.391 3 E HA 0.246 4.599 4.350 0.006 0.000 0.255 3 E C -0.242 176.755 176.600 0.661 0.000 1.187 3 E CA -0.028 56.636 56.400 0.441 0.000 0.941 3 E CB 0.382 30.351 29.700 0.448 0.000 1.010 3 E HN 0.428 nan 8.360 nan 0.000 0.458 4 F N -1.332 118.819 119.950 0.334 0.000 2.688 4 F HA 0.341 4.871 4.527 0.006 0.000 0.308 4 F C -1.200 174.588 175.800 -0.019 0.000 1.117 4 F CA -1.461 56.510 58.000 -0.049 0.000 0.976 4 F CB 0.387 39.214 39.000 -0.288 0.000 1.291 4 F HN 0.417 nan 8.300 nan 0.000 0.439 5 Y N 1.675 121.896 120.300 -0.131 0.000 2.298 5 Y HA 0.710 5.263 4.550 0.006 0.000 0.329 5 Y C -0.370 175.716 175.900 0.309 0.000 1.293 5 Y CA -0.833 57.332 58.100 0.109 0.000 1.388 5 Y CB 0.234 38.714 38.460 0.035 0.000 1.309 5 Y HN 0.629 nan 8.280 nan 0.000 0.544 6 L N 0.644 122.111 121.223 0.405 0.000 2.590 6 L HA 0.301 4.645 4.340 0.006 0.000 0.181 6 L C 0.688 177.784 176.870 0.376 0.000 1.134 6 L CA 1.414 56.442 54.840 0.314 0.000 0.850 6 L CB -0.476 41.703 42.059 0.199 0.000 1.172 6 L HN 1.029 nan 8.230 nan 0.000 0.498 7 T N -2.795 111.980 114.554 0.368 0.000 2.883 7 T HA 0.685 5.039 4.350 0.006 0.000 0.301 7 T C -1.137 173.742 174.700 0.299 0.000 1.158 7 T CA -0.701 61.579 62.100 0.301 0.000 1.007 7 T CB 2.072 71.066 68.868 0.210 0.000 1.186 7 T HN -0.027 nan 8.240 nan 0.000 0.499 8 V N 0.532 120.572 119.914 0.211 0.000 2.851 8 V HA 0.771 4.895 4.120 0.006 0.000 0.307 8 V C -1.874 174.311 176.094 0.150 0.000 1.129 8 V CA -0.431 61.971 62.300 0.171 0.000 0.932 8 V CB 1.898 33.777 31.823 0.093 0.000 1.024 8 V HN 1.096 nan 8.190 nan 0.000 0.426 9 E N 3.850 124.161 120.200 0.186 0.000 2.408 9 E HA 0.404 4.758 4.350 0.006 0.000 0.275 9 E C -1.626 175.105 176.600 0.219 0.000 0.935 9 E CA -0.610 55.923 56.400 0.222 0.000 0.775 9 E CB 2.581 32.502 29.700 0.369 0.000 1.277 9 E HN 0.784 nan 8.360 nan 0.000 0.455 10 Q N 1.978 121.918 119.800 0.233 0.000 2.333 10 Q HA 0.544 4.888 4.340 0.006 0.000 0.265 10 Q C -1.093 175.039 176.000 0.221 0.000 0.989 10 Q CA -0.443 55.487 55.803 0.212 0.000 0.842 10 Q CB 0.888 29.739 28.738 0.189 0.000 1.262 10 Q HN 0.491 nan 8.270 nan 0.000 0.451 11 I N 4.446 125.139 120.570 0.206 0.000 2.476 11 I HA 0.376 4.550 4.170 0.006 0.000 0.281 11 I C 0.696 176.884 176.117 0.119 0.000 1.040 11 I CA -0.356 60.990 61.300 0.077 0.000 1.094 11 I CB 1.394 39.322 38.000 -0.120 0.000 1.219 11 I HN 1.001 nan 8.210 nan 0.000 0.450 12 G N 5.640 114.481 108.800 0.068 0.000 2.591 12 G HA2 -0.293 3.670 3.960 0.006 0.000 0.298 12 G HA3 -0.293 3.670 3.960 0.006 0.000 0.298 12 G C 0.341 175.287 174.900 0.077 0.000 1.195 12 G CA 0.446 45.583 45.100 0.063 0.000 0.989 12 G HN 0.587 nan 8.290 nan 0.000 0.551 13 D N 1.644 122.079 120.400 0.057 0.000 2.358 13 D HA 0.393 5.036 4.640 0.006 0.000 0.224 13 D C 1.016 177.329 176.300 0.022 0.000 1.123 13 D CA 1.039 55.056 54.000 0.029 0.000 0.833 13 D CB 0.128 40.930 40.800 0.004 0.000 0.946 13 D HN 0.721 nan 8.370 nan 0.000 0.505 14 S N -0.803 114.932 115.700 0.059 0.000 2.599 14 S HA 0.656 5.130 4.470 0.006 0.000 0.287 14 S C -0.411 174.203 174.600 0.023 0.000 1.105 14 S CA -0.872 57.321 58.200 -0.011 0.000 0.899 14 S CB 2.248 65.386 63.200 -0.102 0.000 1.100 14 S HN -0.023 nan 8.310 nan 0.000 0.482 15 I N 1.650 122.115 120.570 -0.175 0.000 2.406 15 I HA 0.411 4.584 4.170 0.006 0.000 0.290 15 I C -1.431 174.474 176.117 -0.354 0.000 0.999 15 I CA -0.704 60.468 61.300 -0.212 0.000 1.124 15 I CB 1.264 38.946 38.000 -0.530 0.000 1.289 15 I HN 0.620 nan 8.210 nan 0.000 0.441 16 F N 5.352 125.161 119.950 -0.234 0.000 2.388 16 F HA 0.394 4.925 4.527 0.006 0.000 0.358 16 F C 0.376 176.134 175.800 -0.070 0.000 1.122 16 F CA -0.482 57.351 58.000 -0.279 0.000 1.056 16 F CB 1.169 39.740 39.000 -0.715 0.000 1.155 16 F HN 0.406 nan 8.300 nan 0.000 0.461 17 E N 4.165 124.448 120.200 0.139 0.000 2.238 17 E HA 0.519 4.872 4.350 0.006 0.000 0.267 17 E C -1.035 175.818 176.600 0.422 0.000 0.887 17 E CA -0.950 55.620 56.400 0.283 0.000 0.769 17 E CB 1.384 31.236 29.700 0.253 0.000 1.187 17 E HN 0.607 nan 8.360 nan 0.000 0.416 18 R N 3.007 123.771 120.500 0.440 0.000 2.437 18 R HA 0.395 4.739 4.340 0.006 0.000 0.310 18 R C -1.247 175.314 176.300 0.435 0.000 0.955 18 R CA -0.602 55.726 56.100 0.381 0.000 0.851 18 R CB 1.089 31.538 30.300 0.247 0.000 1.161 18 R HN 0.459 nan 8.270 nan 0.000 0.446 19 Y N 0.050 120.416 120.300 0.111 0.000 2.689 19 Y HA 0.573 5.127 4.550 0.006 0.000 0.333 19 Y C -1.283 174.549 175.900 -0.113 0.000 1.190 19 Y CA -1.690 56.430 58.100 0.033 0.000 1.063 19 Y CB 0.976 39.536 38.460 0.166 0.000 1.294 19 Y HN 0.176 nan 8.280 nan 0.000 0.466 20 I N 3.216 123.564 120.570 -0.369 0.000 2.354 20 I HA 0.230 4.404 4.170 0.006 0.000 0.292 20 I C -0.424 175.553 176.117 -0.233 0.000 0.989 20 I CA -0.679 60.324 61.300 -0.495 0.000 1.188 20 I CB 0.833 38.301 38.000 -0.886 0.000 1.342 20 I HN 0.884 nan 8.210 nan 0.000 0.457 21 D N 3.549 123.831 120.400 -0.196 0.000 2.478 21 D HA 0.127 4.771 4.640 0.006 0.000 0.269 21 D C 1.168 177.496 176.300 0.047 0.000 1.232 21 D CA -0.385 53.631 54.000 0.026 0.000 1.059 21 D CB 0.403 41.203 40.800 0.000 0.000 1.104 21 D HN 0.437 nan 8.370 nan 0.000 0.566 22 S N -0.764 114.986 115.700 0.084 0.000 2.440 22 S HA -0.214 4.259 4.470 0.006 0.000 0.240 22 S C 1.025 175.647 174.600 0.038 0.000 1.014 22 S CA 0.732 58.972 58.200 0.066 0.000 0.980 22 S CB -0.617 62.617 63.200 0.057 0.000 0.775 22 S HN 0.512 nan 8.310 nan 0.000 0.499 23 N N 1.067 119.777 118.700 0.017 0.000 2.280 23 N HA 0.207 4.950 4.740 0.006 0.000 0.192 23 N C 1.285 176.791 175.510 -0.006 0.000 1.109 23 N CA 0.749 53.801 53.050 0.004 0.000 0.855 23 N CB 0.505 38.990 38.487 -0.003 0.000 0.974 23 N HN 0.664 nan 8.380 nan 0.000 0.482 24 G N 1.267 110.058 108.800 -0.014 0.000 2.176 24 G HA2 -0.294 3.670 3.960 0.006 0.000 0.253 24 G HA3 -0.294 3.670 3.960 0.006 0.000 0.253 24 G C 0.116 174.978 174.900 -0.063 0.000 0.979 24 G CA -0.234 44.854 45.100 -0.021 0.000 0.641 24 G HN 0.294 nan 8.290 nan 0.000 0.530 25 R N 0.662 121.107 120.500 -0.091 0.000 2.410 25 R HA 0.460 4.804 4.340 0.006 0.000 0.288 25 R C 0.270 176.451 176.300 -0.199 0.000 1.051 25 R CA -0.485 55.546 56.100 -0.115 0.000 1.021 25 R CB 0.992 31.234 30.300 -0.097 0.000 1.032 25 R HN 0.397 nan 8.270 nan 0.000 0.481 26 E N 3.543 123.638 120.200 -0.175 0.000 2.223 26 E HA 0.053 4.407 4.350 0.006 0.000 0.282 26 E C -0.486 175.964 176.600 -0.250 0.000 1.046 26 E CA -0.271 55.999 56.400 -0.217 0.000 0.857 26 E CB 0.547 30.168 29.700 -0.132 0.000 1.055 26 E HN 0.291 nan 8.360 nan 0.000 0.409 27 R N 2.608 122.849 120.500 -0.432 0.000 2.939 27 R HA 0.579 4.923 4.340 0.006 0.000 0.254 27 R C -0.729 175.484 176.300 -0.144 0.000 1.123 27 R CA -0.829 55.048 56.100 -0.371 0.000 1.020 27 R CB 1.968 31.887 30.300 -0.635 0.000 1.206 27 R HN 0.489 nan 8.270 nan 0.000 0.491 28 T N 1.379 115.993 114.554 0.100 0.000 2.916 28 T HA 0.561 4.915 4.350 0.006 0.000 0.305 28 T C -0.899 173.976 174.700 0.292 0.000 1.119 28 T CA -0.991 61.275 62.100 0.277 0.000 1.008 28 T CB 2.364 71.379 68.868 0.245 0.000 1.129 28 T HN 0.664 nan 8.240 nan 0.000 0.480 29 R N 0.714 121.367 120.500 0.256 0.000 2.680 29 R HA 0.659 5.002 4.340 0.006 0.000 0.269 29 R C -1.605 174.631 176.300 -0.106 0.000 1.026 29 R CA -1.078 55.078 56.100 0.095 0.000 0.889 29 R CB 2.007 32.374 30.300 0.112 0.000 1.241 29 R HN 0.602 nan 8.270 nan 0.000 0.463 30 E N 2.542 122.593 120.200 -0.247 0.000 2.186 30 E HA 0.297 4.651 4.350 0.006 0.000 0.255 30 E C -1.264 175.113 176.600 -0.372 0.000 0.881 30 E CA -0.746 55.307 56.400 -0.579 0.000 0.752 30 E CB 1.829 31.065 29.700 -0.775 0.000 1.176 30 E HN 0.417 nan 8.360 nan 0.000 0.421 31 V N 4.122 123.834 119.914 -0.336 0.000 2.472 31 V HA 0.181 4.304 4.120 0.006 0.000 0.290 31 V C 0.170 176.180 176.094 -0.140 0.000 1.037 31 V CA -0.585 61.612 62.300 -0.172 0.000 0.908 31 V CB 1.626 33.410 31.823 -0.066 0.000 0.985 31 V HN 0.708 nan 8.190 nan 0.000 0.454 32 E N 3.364 123.525 120.200 -0.064 0.000 2.028 32 E HA 0.141 4.495 4.350 0.006 0.000 0.275 32 E C -0.884 175.729 176.600 0.022 0.000 1.171 32 E CA -0.357 56.019 56.400 -0.040 0.000 1.186 32 E CB 0.131 29.803 29.700 -0.048 0.000 1.256 32 E HN 0.579 nan 8.360 nan 0.000 0.474 33 Y N 2.327 122.575 120.300 -0.087 0.000 2.721 33 Y HA -0.089 4.464 4.550 0.006 0.000 0.329 33 Y C -0.024 175.836 175.900 -0.067 0.000 1.211 33 Y CA 0.058 58.139 58.100 -0.031 0.000 1.512 33 Y CB 0.355 38.813 38.460 -0.002 0.000 1.249 33 Y HN 0.077 nan 8.280 nan 0.000 0.549 34 K N 9.433 129.487 120.400 -0.577 0.000 2.300 34 K HA 0.255 4.578 4.320 0.006 0.000 0.264 34 K C -2.398 173.683 176.600 -0.866 0.000 1.083 34 K CA -1.814 54.155 56.287 -0.530 0.000 0.958 34 K CB 0.570 32.898 32.500 -0.288 0.000 1.318 34 K HN 0.498 nan 8.250 nan 0.000 0.448 35 P HA -0.006 nan 4.420 nan 0.000 0.273 35 P C -0.536 176.608 177.300 -0.260 0.000 1.250 35 P CA -0.363 62.353 63.100 -0.640 0.000 0.793 35 P CB 1.007 32.185 31.700 -0.870 0.000 1.011 36 S N 0.356 116.005 115.700 -0.085 0.000 2.720 36 S HA 0.540 5.014 4.470 0.006 0.000 0.278 36 S C -0.610 173.953 174.600 -0.062 0.000 1.172 36 S CA -0.660 57.490 58.200 -0.084 0.000 1.019 36 S CB -0.155 62.951 63.200 -0.157 0.000 1.049 36 S HN 0.267 nan 8.310 nan 0.000 0.483 37 L N 3.325 124.494 121.223 -0.090 0.000 2.341 37 L HA 0.814 5.157 4.340 0.006 0.000 0.267 37 L C -1.078 175.562 176.870 -0.384 0.000 1.022 37 L CA -0.935 53.922 54.840 0.028 0.000 0.844 37 L CB 1.006 43.175 42.059 0.182 0.000 1.436 37 L HN 0.535 nan 8.230 nan 0.000 0.483 38 F N -0.525 119.493 119.950 0.112 0.000 2.629 38 F HA 0.800 5.331 4.527 0.006 0.000 0.316 38 F C -0.151 175.810 175.800 0.268 0.000 1.081 38 F CA -0.829 57.224 58.000 0.088 0.000 0.954 38 F CB 1.918 40.940 39.000 0.037 0.000 1.337 38 F HN 0.346 nan 8.300 nan 0.000 0.474 39 A N -0.180 122.881 122.820 0.401 0.000 2.520 39 A HA 0.565 4.889 4.320 0.006 0.000 0.298 39 A C -1.380 176.404 177.584 0.333 0.000 1.051 39 A CA -0.652 51.600 52.037 0.358 0.000 0.690 39 A CB 0.703 19.943 19.000 0.401 0.000 1.281 39 A HN 0.904 nan 8.150 nan 0.000 0.402 40 H N -0.379 118.787 119.070 0.159 0.000 2.871 40 H HA 0.350 4.909 4.556 0.006 0.000 0.355 40 H C 0.483 175.865 175.328 0.091 0.000 1.092 40 H CA 0.846 56.961 56.048 0.112 0.000 1.420 40 H CB 0.609 30.426 29.762 0.092 0.000 1.400 40 H HN 0.958 nan 8.280 nan 0.000 0.604 41 C N 2.027 121.429 119.300 0.170 0.000 3.236 41 C HA 0.484 4.947 4.460 0.006 0.000 0.312 41 C C -2.554 172.476 174.990 0.066 0.000 1.374 41 C CA -2.260 56.820 59.018 0.103 0.000 1.455 41 C CB 1.396 29.180 27.740 0.074 0.000 1.834 41 C HN 0.600 nan 8.230 nan 0.000 0.460 42 P HA 0.102 nan 4.420 nan 0.000 0.265 42 P C 0.696 178.020 177.300 0.040 0.000 1.187 42 P CA 0.747 63.874 63.100 0.045 0.000 0.766 42 P CB 0.577 32.301 31.700 0.039 0.000 0.820 43 E N 1.359 121.586 120.200 0.045 0.000 2.130 43 E HA -0.155 4.199 4.350 0.006 0.000 0.196 43 E C 1.856 178.492 176.600 0.060 0.000 0.998 43 E CA 1.452 57.887 56.400 0.058 0.000 0.806 43 E CB -0.304 29.431 29.700 0.059 0.000 0.738 43 E HN 0.477 nan 8.360 nan 0.000 0.459 44 S N 1.062 116.790 115.700 0.046 0.000 2.380 44 S HA -0.168 4.305 4.470 0.006 0.000 0.217 44 S C 1.106 175.731 174.600 0.042 0.000 1.036 44 S CA 0.620 58.845 58.200 0.041 0.000 1.050 44 S CB -0.320 62.900 63.200 0.032 0.000 1.016 44 S HN 0.228 nan 8.310 nan 0.000 0.419 45 Q N 2.295 122.115 119.800 0.033 0.000 2.586 45 Q HA 0.101 4.445 4.340 0.006 0.000 0.312 45 Q C -0.405 175.611 176.000 0.025 0.000 1.165 45 Q CA 0.040 55.859 55.803 0.027 0.000 1.065 45 Q CB -0.523 28.229 28.738 0.023 0.000 1.054 45 Q HN 0.417 nan 8.270 nan 0.000 0.408 46 A N 4.081 126.922 122.820 0.035 0.000 2.295 46 A HA 0.809 5.133 4.320 0.006 0.000 0.318 46 A C 0.283 177.879 177.584 0.020 0.000 1.134 46 A CA 0.306 52.371 52.037 0.047 0.000 0.827 46 A CB 1.083 20.133 19.000 0.085 0.000 1.136 46 A HN 0.852 nan 8.150 nan 0.000 0.493 47 T N -1.783 112.765 114.554 -0.011 0.000 2.627 47 T HA 0.423 4.777 4.350 0.006 0.000 0.294 47 T C 0.347 175.029 174.700 -0.031 0.000 1.230 47 T CA 0.082 62.165 62.100 -0.028 0.000 1.084 47 T CB 0.644 69.516 68.868 0.006 0.000 1.693 47 T HN 0.686 nan 8.240 nan 0.000 0.465 48 K N -0.732 119.569 120.400 -0.165 0.000 2.380 48 K HA 0.279 4.603 4.320 0.006 0.000 0.198 48 K C -0.721 175.785 176.600 -0.156 0.000 1.070 48 K CA -0.424 55.783 56.287 -0.132 0.000 1.040 48 K CB 0.081 32.403 32.500 -0.298 0.000 0.903 48 K HN 0.568 nan 8.250 nan 0.000 0.549 49 Y N 1.168 121.432 120.300 -0.060 0.000 2.350 49 Y HA 0.409 4.962 4.550 0.006 0.000 0.340 49 Y C -0.492 175.182 175.900 -0.376 0.000 1.006 49 Y CA -1.063 56.994 58.100 -0.071 0.000 1.166 49 Y CB 0.524 39.012 38.460 0.047 0.000 1.168 49 Y HN -0.161 nan 8.280 nan 0.000 0.502 50 F N 1.790 121.825 119.950 0.142 0.000 2.565 50 F HA 0.275 4.805 4.527 0.006 0.000 0.313 50 F C -0.181 175.656 175.800 0.062 0.000 1.091 50 F CA -1.526 56.524 58.000 0.084 0.000 0.915 50 F CB 1.473 40.498 39.000 0.042 0.000 1.208 50 F HN 0.501 nan 8.300 nan 0.000 0.453 51 D N 1.623 122.160 120.400 0.228 0.000 2.371 51 D HA 0.068 4.712 4.640 0.006 0.000 0.242 51 D C 1.446 177.827 176.300 0.136 0.000 1.218 51 D CA -0.363 53.751 54.000 0.190 0.000 0.945 51 D CB 0.504 41.480 40.800 0.294 0.000 1.137 51 D HN 0.660 nan 8.370 nan 0.000 0.464 52 I N -2.317 118.264 120.570 0.018 0.000 2.502 52 I HA -0.282 3.891 4.170 0.006 0.000 0.258 52 I C 0.795 176.749 176.117 -0.271 0.000 1.172 52 I CA 1.085 62.282 61.300 -0.171 0.000 1.430 52 I CB -0.593 37.217 38.000 -0.316 0.000 1.086 52 I HN 0.273 nan 8.210 nan 0.000 0.440 53 Y N 1.990 122.349 120.300 0.098 0.000 2.466 53 Y HA 0.408 4.962 4.550 0.006 0.000 0.272 53 Y C 1.846 177.779 175.900 0.054 0.000 1.169 53 Y CA 0.315 58.460 58.100 0.074 0.000 1.285 53 Y CB 0.260 38.768 38.460 0.079 0.000 1.078 53 Y HN 0.382 nan 8.280 nan 0.000 0.523 54 G N 0.361 109.268 108.800 0.177 0.000 2.141 54 G HA2 -0.205 3.759 3.960 0.006 0.000 0.195 54 G HA3 -0.205 3.759 3.960 0.006 0.000 0.195 54 G C -0.148 174.894 174.900 0.236 0.000 1.012 54 G CA -0.612 44.572 45.100 0.140 0.000 0.696 54 G HN 0.129 nan 8.290 nan 0.000 0.508 55 K N 1.171 121.713 120.400 0.237 0.000 2.159 55 K HA 0.433 4.756 4.320 0.006 0.000 0.266 55 K C -2.319 174.341 176.600 0.100 0.000 0.975 55 K CA -1.857 54.496 56.287 0.109 0.000 0.865 55 K CB 2.534 34.913 32.500 -0.200 0.000 1.087 55 K HN 0.124 nan 8.250 nan 0.000 0.446 56 P HA 0.043 nan 4.420 nan 0.000 0.267 56 P C -0.536 176.665 177.300 -0.166 0.000 1.200 56 P CA -0.220 62.699 63.100 -0.302 0.000 0.772 56 P CB 0.542 32.164 31.700 -0.129 0.000 0.855 57 C N 1.243 120.454 119.300 -0.148 0.000 2.686 57 C HA 0.464 4.927 4.460 0.006 0.000 0.318 57 C C 0.395 175.477 174.990 0.155 0.000 1.160 57 C CA -0.229 58.853 59.018 0.107 0.000 1.396 57 C CB 1.853 29.732 27.740 0.231 0.000 1.924 57 C HN 0.581 nan 8.230 nan 0.000 0.471 58 T N 2.172 116.814 114.554 0.146 0.000 2.837 58 T HA 0.470 4.823 4.350 0.006 0.000 0.285 58 T C -0.105 174.569 174.700 -0.044 0.000 0.984 58 T CA -0.298 61.843 62.100 0.068 0.000 1.049 58 T CB 0.344 69.225 68.868 0.022 0.000 0.947 58 T HN 0.800 nan 8.240 nan 0.000 0.472 59 R N 3.463 123.827 120.500 -0.226 0.000 2.404 59 R HA 0.487 4.831 4.340 0.006 0.000 0.291 59 R C -0.840 175.110 176.300 -0.585 0.000 1.025 59 R CA -0.606 55.052 56.100 -0.737 0.000 0.991 59 R CB 0.571 30.331 30.300 -0.901 0.000 1.053 59 R HN 0.548 nan 8.270 nan 0.000 0.479 60 K N 4.676 124.641 120.400 -0.725 0.000 2.502 60 K HA 0.278 4.601 4.320 0.006 0.000 0.254 60 K C -0.998 175.165 176.600 -0.729 0.000 0.947 60 K CA -0.788 55.053 56.287 -0.742 0.000 0.834 60 K CB 1.739 33.642 32.500 -0.995 0.000 1.112 60 K HN 0.385 nan 8.250 nan 0.000 0.427 61 L N 4.277 125.123 121.223 -0.629 0.000 2.350 61 L HA 0.507 4.851 4.340 0.006 0.000 0.275 61 L C -1.259 175.249 176.870 -0.604 0.000 1.099 61 L CA -0.027 54.555 54.840 -0.431 0.000 0.808 61 L CB 0.305 42.183 42.059 -0.301 0.000 1.149 61 L HN 0.492 nan 8.230 nan 0.000 0.442 62 F N 2.308 122.050 119.950 -0.346 0.000 2.508 62 F HA 0.478 5.009 4.527 0.006 0.000 0.325 62 F C 1.192 176.839 175.800 -0.256 0.000 1.090 62 F CA -0.377 57.441 58.000 -0.302 0.000 0.945 62 F CB 1.658 40.465 39.000 -0.321 0.000 1.156 62 F HN 0.641 nan 8.300 nan 0.000 0.463 63 A N 2.501 125.300 122.820 -0.035 0.000 1.948 63 A HA -0.118 4.206 4.320 0.006 0.000 0.220 63 A C 0.305 177.847 177.584 -0.071 0.000 1.177 63 A CA 2.263 54.262 52.037 -0.063 0.000 0.636 63 A CB -1.005 17.968 19.000 -0.046 0.000 0.815 63 A HN 0.913 nan 8.150 nan 0.000 0.449 64 N N -5.131 113.531 118.700 -0.063 0.000 3.046 64 N HA 0.403 5.147 4.740 0.006 0.000 0.243 64 N C -0.025 175.372 175.510 -0.188 0.000 1.452 64 N CA -0.378 52.604 53.050 -0.113 0.000 0.882 64 N CB 0.241 38.690 38.487 -0.064 0.000 1.425 64 N HN -0.064 nan 8.380 nan 0.000 0.517 65 M N -0.788 118.664 119.600 -0.247 0.000 2.149 65 M HA -0.116 4.367 4.480 0.006 0.000 0.261 65 M C 2.002 178.207 176.300 -0.159 0.000 1.064 65 M CA 1.621 56.685 55.300 -0.394 0.000 1.102 65 M CB -0.315 32.159 32.600 -0.210 0.000 1.369 65 M HN 0.683 nan 8.290 nan 0.000 0.408 66 R N 1.130 121.602 120.500 -0.047 0.000 2.081 66 R HA -0.145 4.199 4.340 0.006 0.000 0.235 66 R C 1.413 177.722 176.300 0.016 0.000 1.131 66 R CA 1.923 58.032 56.100 0.015 0.000 0.960 66 R CB -0.759 29.554 30.300 0.021 0.000 0.856 66 R HN 0.312 nan 8.270 nan 0.000 0.436 67 D N -0.060 120.345 120.400 0.008 0.000 2.178 67 D HA -0.073 4.571 4.640 0.006 0.000 0.202 67 D C 1.562 177.898 176.300 0.060 0.000 0.974 67 D CA 1.551 55.604 54.000 0.088 0.000 0.841 67 D CB -0.175 40.711 40.800 0.145 0.000 0.953 67 D HN 0.419 nan 8.370 nan 0.000 0.478 68 A N 0.334 122.995 122.820 -0.264 0.000 2.014 68 A HA -0.056 4.267 4.320 0.006 0.000 0.218 68 A C 2.427 179.932 177.584 -0.131 0.000 1.163 68 A CA 1.082 52.642 52.037 -0.796 0.000 0.652 68 A CB -0.172 18.134 19.000 -1.155 0.000 0.808 68 A HN 0.084 nan 8.150 nan 0.000 0.449 69 S N -0.278 115.452 115.700 0.050 0.000 2.371 69 S HA -0.112 4.362 4.470 0.006 0.000 0.224 69 S C 2.035 176.694 174.600 0.098 0.000 1.029 69 S CA 1.065 59.347 58.200 0.137 0.000 0.978 69 S CB -0.216 63.073 63.200 0.148 0.000 0.833 69 S HN 0.560 nan 8.310 nan 0.000 0.466 70 Q N -0.533 119.328 119.800 0.101 0.000 2.291 70 Q HA -0.049 4.294 4.340 0.006 0.000 0.205 70 Q C 1.578 177.664 176.000 0.144 0.000 0.970 70 Q CA 0.732 56.595 55.803 0.100 0.000 0.876 70 Q CB -0.305 28.493 28.738 0.101 0.000 0.935 70 Q HN 0.766 nan 8.270 nan 0.000 0.455 71 W N 0.743 122.053 121.300 0.016 0.000 2.476 71 W HA 0.036 4.700 4.660 0.006 0.000 0.281 71 W C 1.552 178.090 176.519 0.030 0.000 1.230 71 W CA 0.569 57.956 57.345 0.070 0.000 1.287 71 W CB -0.055 29.530 29.460 0.208 0.000 1.108 71 W HN -0.011 nan 8.180 nan 0.000 0.567 72 I N 0.681 121.255 120.570 0.007 0.000 2.439 72 I HA -0.246 3.927 4.170 0.006 0.000 0.251 72 I C 2.540 178.535 176.117 -0.203 0.000 1.139 72 I CA 1.289 62.487 61.300 -0.170 0.000 1.438 72 I CB -0.579 37.415 38.000 -0.010 0.000 1.085 72 I HN -0.068 nan 8.210 nan 0.000 0.427 73 K N 1.369 121.702 120.400 -0.111 0.000 2.031 73 K HA -0.121 4.203 4.320 0.006 0.000 0.205 73 K C 2.324 178.843 176.600 -0.135 0.000 1.049 73 K CA 1.091 57.321 56.287 -0.096 0.000 0.939 73 K CB 0.017 32.493 32.500 -0.040 0.000 0.717 73 K HN 0.175 nan 8.250 nan 0.000 0.438 74 R N -0.038 120.377 120.500 -0.143 0.000 2.105 74 R HA -0.095 4.249 4.340 0.006 0.000 0.239 74 R C 2.320 178.475 176.300 -0.242 0.000 1.135 74 R CA 1.361 57.371 56.100 -0.150 0.000 0.967 74 R CB -0.204 30.037 30.300 -0.100 0.000 0.861 74 R HN 0.274 nan 8.270 nan 0.000 0.442 75 M N 0.451 119.794 119.600 -0.428 0.000 2.213 75 M HA -0.114 4.370 4.480 0.006 0.000 0.263 75 M C 1.655 177.784 176.300 -0.285 0.000 1.062 75 M CA 1.476 56.492 55.300 -0.473 0.000 1.105 75 M CB -0.445 31.668 32.600 -0.812 0.000 1.385 75 M HN 0.002 nan 8.290 nan 0.000 0.417 76 E N 0.002 120.064 120.200 -0.230 0.000 2.170 76 E HA -0.068 4.285 4.350 0.006 0.000 0.191 76 E C 1.338 177.864 176.600 -0.122 0.000 0.981 76 E CA 0.649 56.953 56.400 -0.160 0.000 0.830 76 E CB -0.286 29.332 29.700 -0.136 0.000 0.775 76 E HN 0.417 nan 8.360 nan 0.000 0.470 77 D N 0.189 120.520 120.400 -0.115 0.000 2.392 77 D HA -0.037 4.606 4.640 0.006 0.000 0.228 77 D C 1.597 177.850 176.300 -0.079 0.000 1.003 77 D CA 0.503 54.453 54.000 -0.083 0.000 0.917 77 D CB 0.287 41.045 40.800 -0.070 0.000 0.890 77 D HN 0.273 nan 8.370 nan 0.000 0.532 78 I N -1.515 118.996 120.570 -0.098 0.000 3.565 78 I HA 0.127 4.301 4.170 0.006 0.000 0.287 78 I C 1.473 177.543 176.117 -0.079 0.000 1.193 78 I CA 0.513 61.763 61.300 -0.082 0.000 1.402 78 I CB 0.720 38.665 38.000 -0.092 0.000 1.284 78 I HN 0.042 nan 8.210 nan 0.000 0.454 79 G N 1.741 110.482 108.800 -0.099 0.000 2.148 79 G HA2 -0.125 3.838 3.960 0.006 0.000 0.157 79 G HA3 -0.125 3.838 3.960 0.006 0.000 0.157 79 G C -0.161 174.682 174.900 -0.095 0.000 1.012 79 G CA -0.550 44.496 45.100 -0.089 0.000 0.677 79 G HN 0.129 nan 8.290 nan 0.000 0.506 80 L N 0.521 121.672 121.223 -0.121 0.000 2.331 80 L HA 0.619 4.963 4.340 0.006 0.000 0.275 80 L C 0.682 177.452 176.870 -0.168 0.000 1.022 80 L CA -0.975 53.791 54.840 -0.124 0.000 0.812 80 L CB 1.741 43.740 42.059 -0.101 0.000 1.257 80 L HN 0.220 nan 8.230 nan 0.000 0.435 81 E N 1.236 121.328 120.200 -0.180 0.000 2.373 81 E HA 0.367 4.720 4.350 0.006 0.000 0.267 81 E C -0.751 175.758 176.600 -0.152 0.000 1.032 81 E CA -0.387 55.900 56.400 -0.188 0.000 0.889 81 E CB 1.117 30.669 29.700 -0.247 0.000 0.984 81 E HN 0.626 nan 8.360 nan 0.000 0.425 82 A N 5.642 128.396 122.820 -0.109 0.000 2.508 82 A HA 0.338 4.662 4.320 0.006 0.000 0.336 82 A C -0.778 176.891 177.584 0.142 0.000 1.360 82 A CA -0.630 51.411 52.037 0.007 0.000 0.841 82 A CB 0.015 18.903 19.000 -0.187 0.000 1.136 82 A HN 0.492 nan 8.150 nan 0.000 0.489 83 L N 1.534 122.888 121.223 0.219 0.000 2.475 83 L HA 0.777 5.121 4.340 0.006 0.000 0.253 83 L C 1.164 178.209 176.870 0.292 0.000 1.198 83 L CA 1.138 56.100 54.840 0.204 0.000 0.814 83 L CB 0.210 42.387 42.059 0.197 0.000 1.134 83 L HN 1.131 nan 8.230 nan 0.000 0.478 84 G N 0.455 109.354 108.800 0.166 0.000 2.541 84 G HA2 0.011 3.974 3.960 0.006 0.000 0.686 84 G HA3 0.011 3.974 3.960 0.006 0.000 0.686 84 G C -1.061 173.835 174.900 -0.007 0.000 1.286 84 G CA -0.635 44.569 45.100 0.172 0.000 0.894 84 G HN 0.565 nan 8.290 nan 0.000 0.575 85 M N 2.180 121.703 119.600 -0.130 0.000 2.193 85 M HA 0.340 4.823 4.480 0.006 0.000 0.342 85 M C 1.524 177.725 176.300 -0.166 0.000 1.413 85 M CA -0.652 54.456 55.300 -0.320 0.000 1.191 85 M CB 0.364 32.517 32.600 -0.745 0.000 1.633 85 M HN 0.589 nan 8.290 nan 0.000 0.458 86 D N 1.709 121.967 120.400 -0.237 0.000 2.269 86 D HA -0.105 4.539 4.640 0.006 0.000 0.208 86 D C -0.106 175.721 176.300 -0.788 0.000 0.963 86 D CA 0.535 54.274 54.000 -0.434 0.000 0.864 86 D CB -0.380 40.258 40.800 -0.269 0.000 0.936 86 D HN 0.542 nan 8.370 nan 0.000 0.505 87 D N -0.066 120.069 120.400 -0.443 0.000 2.422 87 D HA 0.002 4.646 4.640 0.006 0.000 0.227 87 D C 0.281 176.465 176.300 -0.193 0.000 1.190 87 D CA -0.569 53.233 54.000 -0.330 0.000 0.905 87 D CB 0.025 40.745 40.800 -0.135 0.000 1.034 87 D HN -0.128 nan 8.370 nan 0.000 0.507 88 F N 2.523 122.518 119.950 0.075 0.000 2.333 88 F HA -0.042 4.489 4.527 0.006 0.000 0.300 88 F C 2.224 178.081 175.800 0.095 0.000 1.083 88 F CA 0.532 58.623 58.000 0.152 0.000 1.395 88 F CB -0.332 38.793 39.000 0.207 0.000 1.056 88 F HN 0.290 nan 8.300 nan 0.000 0.529 89 K N 0.429 120.936 120.400 0.178 0.000 2.026 89 K HA -0.123 4.200 4.320 0.006 0.000 0.208 89 K C 2.093 178.763 176.600 0.116 0.000 1.048 89 K CA 1.316 57.667 56.287 0.108 0.000 0.929 89 K CB -0.515 32.023 32.500 0.063 0.000 0.713 89 K HN 0.268 nan 8.250 nan 0.000 0.439 90 L N 0.510 121.801 121.223 0.112 0.000 2.046 90 L HA -0.183 4.160 4.340 0.006 0.000 0.208 90 L C 2.623 179.654 176.870 0.268 0.000 1.077 90 L CA 1.115 56.049 54.840 0.156 0.000 0.747 90 L CB -0.672 41.497 42.059 0.183 0.000 0.896 90 L HN 0.229 nan 8.230 nan 0.000 0.432 91 A N -0.465 122.542 122.820 0.312 0.000 1.902 91 A HA -0.295 4.028 4.320 0.006 0.000 0.217 91 A C 2.213 179.910 177.584 0.187 0.000 1.181 91 A CA 1.643 53.942 52.037 0.437 0.000 0.623 91 A CB -0.936 18.362 19.000 0.497 0.000 0.818 91 A HN 0.507 nan 8.150 nan 0.000 0.443 92 Y N 0.557 120.713 120.300 -0.240 0.000 2.165 92 Y HA -0.201 4.353 4.550 0.006 0.000 0.286 92 Y C 1.948 177.719 175.900 -0.214 0.000 1.155 92 Y CA 1.994 59.732 58.100 -0.603 0.000 1.164 92 Y CB -0.214 37.809 38.460 -0.728 0.000 0.978 92 Y HN 0.230 nan 8.280 nan 0.000 0.513 93 L N -0.985 120.138 121.223 -0.167 0.000 2.005 93 L HA -0.217 4.126 4.340 0.006 0.000 0.207 93 L C 2.823 179.645 176.870 -0.080 0.000 1.072 93 L CA 1.534 56.290 54.840 -0.140 0.000 0.744 93 L CB -1.067 40.892 42.059 -0.165 0.000 0.895 93 L HN 0.217 nan 8.230 nan 0.000 0.433 94 S N -0.181 115.499 115.700 -0.033 0.000 2.380 94 S HA -0.242 4.231 4.470 0.006 0.000 0.229 94 S C 1.601 176.152 174.600 -0.081 0.000 1.043 94 S CA 2.004 60.163 58.200 -0.068 0.000 1.038 94 S CB -0.243 62.903 63.200 -0.090 0.000 0.872 94 S HN 0.399 nan 8.310 nan 0.000 0.456 95 D N 0.328 120.684 120.400 -0.074 0.000 2.091 95 D HA -0.009 4.634 4.640 0.006 0.000 0.199 95 D C 2.202 178.379 176.300 -0.206 0.000 0.980 95 D CA 1.679 55.638 54.000 -0.069 0.000 0.831 95 D CB -1.042 39.772 40.800 0.023 0.000 0.987 95 D HN 0.409 nan 8.370 nan 0.000 0.460 96 T N -0.403 113.891 114.554 -0.433 0.000 2.833 96 T HA -0.164 4.190 4.350 0.006 0.000 0.269 96 T C 0.415 174.650 174.700 -0.776 0.000 1.054 96 T CA 1.002 62.702 62.100 -0.666 0.000 1.135 96 T CB -0.211 68.040 68.868 -1.028 0.000 0.869 96 T HN 0.195 nan 8.240 nan 0.000 0.466 97 Y N 1.114 121.262 120.300 -0.254 0.000 2.638 97 Y HA 0.395 4.948 4.550 0.006 0.000 0.367 97 Y C 0.351 175.930 175.900 -0.536 0.000 1.001 97 Y CA -1.277 56.536 58.100 -0.479 0.000 1.133 97 Y CB -0.379 37.814 38.460 -0.444 0.000 1.199 97 Y HN 0.003 nan 8.280 nan 0.000 0.642 98 N N 2.605 121.211 118.700 -0.156 0.000 3.103 98 N HA 0.150 4.894 4.740 0.006 0.000 0.305 98 N C -1.511 174.076 175.510 0.127 0.000 1.232 98 N CA -0.026 53.008 53.050 -0.028 0.000 1.190 98 N CB -0.282 38.229 38.487 0.040 0.000 1.461 98 N HN 0.459 nan 8.380 nan 0.000 0.538 99 Y N -2.125 118.217 120.300 0.070 0.000 2.638 99 Y HA 0.218 4.772 4.550 0.006 0.000 0.334 99 Y C -0.776 175.164 175.900 0.067 0.000 1.182 99 Y CA -1.483 56.653 58.100 0.060 0.000 1.102 99 Y CB 0.355 38.858 38.460 0.071 0.000 1.343 99 Y HN -0.015 nan 8.280 nan 0.000 0.463 100 E N 3.227 123.550 120.200 0.206 0.000 2.498 100 E HA 0.155 4.509 4.350 0.006 0.000 0.252 100 E C -0.684 176.044 176.600 0.212 0.000 1.025 100 E CA -0.062 56.414 56.400 0.126 0.000 0.938 100 E CB 0.406 30.172 29.700 0.111 0.000 0.947 100 E HN 0.615 nan 8.360 nan 0.000 0.478 101 I N 5.322 125.962 120.570 0.117 0.000 2.471 101 I HA 0.031 4.205 4.170 0.006 0.000 0.286 101 I C 0.557 176.729 176.117 0.091 0.000 1.079 101 I CA 0.265 61.635 61.300 0.116 0.000 1.398 101 I CB 0.581 38.565 38.000 -0.027 0.000 1.403 101 I HN 0.454 nan 8.210 nan 0.000 0.530 102 K N 8.538 128.977 120.400 0.064 0.000 2.464 102 K HA 0.295 4.618 4.320 0.006 0.000 0.252 102 K C -1.177 175.276 176.600 -0.245 0.000 1.000 102 K CA -0.579 55.674 56.287 -0.056 0.000 0.951 102 K CB 0.800 33.287 32.500 -0.021 0.000 1.183 102 K HN 0.477 nan 8.250 nan 0.000 0.445 103 Y N 0.188 120.105 120.300 -0.639 0.000 2.568 103 Y HA 0.593 5.146 4.550 0.006 0.000 0.327 103 Y C -0.717 174.757 175.900 -0.710 0.000 1.163 103 Y CA -1.573 55.772 58.100 -1.259 0.000 1.219 103 Y CB 1.000 38.305 38.460 -1.926 0.000 1.308 103 Y HN 0.406 nan 8.280 nan 0.000 0.503 104 D N 0.103 120.103 120.400 -0.667 0.000 2.462 104 D HA 0.131 4.774 4.640 0.006 0.000 0.245 104 D C 0.440 176.693 176.300 -0.079 0.000 1.122 104 D CA -0.587 53.220 54.000 -0.321 0.000 0.864 104 D CB 0.153 40.883 40.800 -0.118 0.000 1.098 104 D HN 0.812 nan 8.370 nan 0.000 0.541 105 H N 1.082 120.155 119.070 0.004 0.000 2.457 105 H HA -0.145 4.415 4.556 0.006 0.000 0.297 105 H C 1.483 176.897 175.328 0.144 0.000 1.092 105 H CA 2.005 58.158 56.048 0.174 0.000 1.309 105 H CB -0.574 29.295 29.762 0.179 0.000 1.382 105 H HN 0.311 nan 8.280 nan 0.000 0.535 106 T N -2.221 112.135 114.554 -0.331 0.000 3.051 106 T HA -0.031 4.323 4.350 0.006 0.000 0.269 106 T C 1.438 176.162 174.700 0.039 0.000 1.127 106 T CA 0.697 62.739 62.100 -0.097 0.000 1.107 106 T CB -0.060 68.701 68.868 -0.178 0.000 0.898 106 T HN 0.324 nan 8.240 nan 0.000 0.517 107 K N 0.453 120.914 120.400 0.101 0.000 2.361 107 K HA 0.356 4.679 4.320 0.006 0.000 0.194 107 K C 0.618 177.326 176.600 0.179 0.000 1.032 107 K CA -0.002 56.372 56.287 0.144 0.000 1.048 107 K CB 0.421 33.051 32.500 0.216 0.000 0.842 107 K HN 0.485 nan 8.250 nan 0.000 0.526 108 I N 2.380 123.097 120.570 0.244 0.000 2.352 108 I HA 0.139 4.313 4.170 0.006 0.000 0.290 108 I C 0.585 176.792 176.117 0.150 0.000 1.036 108 I CA -0.474 60.967 61.300 0.234 0.000 1.336 108 I CB 0.704 38.889 38.000 0.309 0.000 1.407 108 I HN -0.150 nan 8.210 nan 0.000 0.497 109 R N 6.446 126.995 120.500 0.082 0.000 2.248 109 R HA 0.368 4.711 4.340 0.006 0.000 0.337 109 R C -1.235 175.086 176.300 0.034 0.000 1.106 109 R CA -0.373 55.745 56.100 0.030 0.000 0.959 109 R CB 0.487 30.758 30.300 -0.047 0.000 1.075 109 R HN 0.473 nan 8.270 nan 0.000 0.480 110 V N 4.393 124.352 119.914 0.075 0.000 2.364 110 V HA 0.431 4.554 4.120 0.006 0.000 0.272 110 V C 0.309 176.450 176.094 0.077 0.000 1.036 110 V CA -0.674 61.685 62.300 0.098 0.000 0.880 110 V CB 1.130 33.050 31.823 0.160 0.000 0.991 110 V HN 0.849 nan 8.190 nan 0.000 0.460 111 A N 4.736 127.573 122.820 0.029 0.000 2.312 111 A HA 0.729 5.052 4.320 0.006 0.000 0.326 111 A C -0.159 177.466 177.584 0.068 0.000 1.172 111 A CA -0.636 51.374 52.037 -0.045 0.000 0.821 111 A CB 0.811 19.664 19.000 -0.244 0.000 1.166 111 A HN 0.718 nan 8.150 nan 0.000 0.493 112 N N 1.073 119.838 118.700 0.108 0.000 2.410 112 N HA 0.661 5.405 4.740 0.006 0.000 0.287 112 N C -1.683 174.027 175.510 0.333 0.000 1.044 112 N CA -0.098 53.107 53.050 0.259 0.000 0.881 112 N CB 1.789 40.436 38.487 0.266 0.000 1.405 112 N HN 0.609 nan 8.380 nan 0.000 0.490 113 F N 0.830 120.835 119.950 0.092 0.000 2.745 113 F HA 0.725 5.256 4.527 0.006 0.000 0.316 113 F C -1.647 174.264 175.800 0.186 0.000 1.155 113 F CA -1.184 56.906 58.000 0.150 0.000 0.937 113 F CB 1.316 40.408 39.000 0.153 0.000 1.361 113 F HN 0.274 nan 8.300 nan 0.000 0.472 114 D N 0.852 121.221 120.400 -0.053 0.000 2.654 114 D HA 0.648 5.291 4.640 0.006 0.000 0.231 114 D C -1.470 174.812 176.300 -0.030 0.000 1.239 114 D CA -0.380 53.519 54.000 -0.169 0.000 0.790 114 D CB 2.393 43.188 40.800 -0.010 0.000 1.480 114 D HN 0.934 nan 8.370 nan 0.000 0.442 115 I N -1.372 119.171 120.570 -0.044 0.000 3.108 115 I HA 0.792 4.966 4.170 0.006 0.000 0.312 115 I C -1.111 175.007 176.117 0.002 0.000 1.095 115 I CA -0.724 60.577 61.300 0.003 0.000 1.000 115 I CB 2.316 40.308 38.000 -0.014 0.000 1.229 115 I HN 0.120 nan 8.210 nan 0.000 0.454 116 E N 2.440 122.632 120.200 -0.014 0.000 2.288 116 E HA 0.667 5.020 4.350 0.006 0.000 0.268 116 E C -1.436 175.179 176.600 0.024 0.000 0.885 116 E CA -0.753 55.633 56.400 -0.023 0.000 0.767 116 E CB 2.910 32.529 29.700 -0.136 0.000 1.220 116 E HN 0.525 nan 8.360 nan 0.000 0.427 117 V N 1.942 121.849 119.914 -0.011 0.000 2.532 117 V HA 0.209 4.332 4.120 0.006 0.000 0.294 117 V C -0.168 175.865 176.094 -0.101 0.000 1.036 117 V CA -0.783 61.478 62.300 -0.064 0.000 0.876 117 V CB 1.928 33.590 31.823 -0.268 0.000 1.012 117 V HN 0.606 nan 8.190 nan 0.000 0.432 118 T N 3.234 117.748 114.554 -0.066 0.000 2.916 118 T HA 0.369 4.722 4.350 0.006 0.000 0.303 118 T C 0.262 174.713 174.700 -0.416 0.000 1.025 118 T CA 0.295 62.260 62.100 -0.226 0.000 1.142 118 T CB 0.936 69.648 68.868 -0.261 0.000 0.947 118 T HN 0.794 nan 8.240 nan 0.000 0.544 119 S N 3.516 118.942 115.700 -0.456 0.000 2.536 119 S HA 0.357 4.830 4.470 0.006 0.000 0.246 119 S C -2.033 172.396 174.600 -0.285 0.000 1.077 119 S CA -1.133 56.762 58.200 -0.509 0.000 1.091 119 S CB 1.356 64.107 63.200 -0.748 0.000 1.148 119 S HN 0.457 nan 8.310 nan 0.000 0.447 120 P HA -0.017 nan 4.420 nan 0.000 0.222 120 P C 1.086 178.407 177.300 0.035 0.000 1.153 120 P CA 0.604 63.677 63.100 -0.045 0.000 0.798 120 P CB 0.157 31.873 31.700 0.026 0.000 0.796 121 D N 0.705 121.164 120.400 0.098 0.000 2.120 121 D HA -0.098 4.546 4.640 0.006 0.000 0.191 121 D C 1.244 177.605 176.300 0.103 0.000 0.994 121 D CA 2.204 56.296 54.000 0.152 0.000 0.838 121 D CB -0.147 40.846 40.800 0.322 0.000 0.976 121 D HN 0.240 nan 8.370 nan 0.000 0.447 122 G N -1.482 107.360 108.800 0.069 0.000 2.512 122 G HA2 0.253 4.216 3.960 0.006 0.000 0.186 122 G HA3 0.253 4.216 3.960 0.006 0.000 0.186 122 G C -1.451 173.527 174.900 0.129 0.000 1.189 122 G CA -0.614 44.563 45.100 0.129 0.000 0.994 122 G HN 0.084 nan 8.290 nan 0.000 0.506 123 F N 3.571 123.507 119.950 -0.024 0.000 2.424 123 F HA 0.440 4.970 4.527 0.006 0.000 0.356 123 F C -1.272 174.544 175.800 0.026 0.000 1.110 123 F CA -2.212 55.767 58.000 -0.034 0.000 1.161 123 F CB 1.360 40.346 39.000 -0.025 0.000 1.115 123 F HN 0.007 nan 8.300 nan 0.000 0.507 124 P HA -0.075 nan 4.420 nan 0.000 0.257 124 P C -0.409 177.188 177.300 0.497 0.000 1.269 124 P CA -0.063 63.154 63.100 0.194 0.000 1.122 124 P CB 0.127 31.845 31.700 0.030 0.000 1.285 125 E N 5.956 126.396 120.200 0.399 0.000 2.406 125 E HA 0.002 4.356 4.350 0.006 0.000 0.258 125 E C -1.644 175.150 176.600 0.323 0.000 1.043 125 E CA -1.716 54.894 56.400 0.349 0.000 0.929 125 E CB 0.221 30.058 29.700 0.229 0.000 0.969 125 E HN 0.240 nan 8.360 nan 0.000 0.462 126 P HA -0.218 nan 4.420 nan 0.000 0.217 126 P C 1.089 178.377 177.300 -0.020 0.000 1.148 126 P CA 1.876 65.051 63.100 0.124 0.000 0.828 126 P CB 0.064 31.844 31.700 0.133 0.000 0.783 127 S N -1.228 114.502 115.700 0.049 0.000 2.382 127 S HA -0.215 4.258 4.470 0.006 0.000 0.228 127 S C 1.918 176.514 174.600 -0.006 0.000 1.027 127 S CA 1.013 59.228 58.200 0.025 0.000 0.991 127 S CB -1.043 62.187 63.200 0.049 0.000 0.823 127 S HN 0.090 nan 8.310 nan 0.000 0.469 128 Q N 1.420 121.226 119.800 0.011 0.000 2.061 128 Q HA 0.362 4.706 4.340 0.006 0.000 0.195 128 Q C 1.520 177.466 176.000 -0.088 0.000 0.967 128 Q CA 1.048 56.852 55.803 0.001 0.000 0.829 128 Q CB -1.102 27.678 28.738 0.070 0.000 0.900 128 Q HN 0.974 nan 8.270 nan 0.000 0.450 129 A N 1.020 123.732 122.820 -0.181 0.000 2.800 129 A HA -0.277 4.046 4.320 0.006 0.000 0.292 129 A C 1.119 178.635 177.584 -0.113 0.000 1.474 129 A CA 1.325 53.033 52.037 -0.549 0.000 0.744 129 A CB -2.045 16.543 19.000 -0.687 0.000 1.044 129 A HN 0.327 nan 8.150 nan 0.000 0.489 130 K N -0.738 119.734 120.400 0.120 0.000 2.025 130 K HA -0.084 4.240 4.320 0.006 0.000 0.207 130 K C 0.715 177.347 176.600 0.052 0.000 1.049 130 K CA 1.625 57.945 56.287 0.055 0.000 0.933 130 K CB -0.106 32.387 32.500 -0.012 0.000 0.714 130 K HN 0.893 nan 8.250 nan 0.000 0.438 131 H N 0.276 119.515 119.070 0.280 0.000 2.505 131 H HA 0.200 4.760 4.556 0.006 0.000 0.355 131 H C -2.293 173.231 175.328 0.326 0.000 1.179 131 H CA -2.461 53.770 56.048 0.306 0.000 1.343 131 H CB 0.190 30.096 29.762 0.240 0.000 1.501 131 H HN 0.105 nan 8.280 nan 0.000 0.569 132 P HA 0.141 nan 4.420 nan 0.000 0.278 132 P C -0.256 177.196 177.300 0.254 0.000 1.238 132 P CA -0.245 63.032 63.100 0.294 0.000 0.794 132 P CB 1.169 33.008 31.700 0.231 0.000 0.955 133 I N 2.944 123.643 120.570 0.215 0.000 2.421 133 I HA -0.008 4.165 4.170 0.006 0.000 0.291 133 I C 0.984 177.181 176.117 0.133 0.000 1.089 133 I CA 0.302 61.680 61.300 0.130 0.000 1.354 133 I CB 0.248 38.303 38.000 0.093 0.000 1.413 133 I HN 0.405 nan 8.210 nan 0.000 0.513 134 D N 4.407 124.903 120.400 0.160 0.000 2.369 134 D HA 0.361 5.004 4.640 0.006 0.000 0.211 134 D C 0.092 176.545 176.300 0.255 0.000 1.077 134 D CA -0.168 53.961 54.000 0.215 0.000 0.842 134 D CB 0.679 41.625 40.800 0.244 0.000 0.947 134 D HN 0.417 nan 8.370 nan 0.000 0.509 135 A N 0.218 123.147 122.820 0.182 0.000 2.577 135 A HA 0.636 4.960 4.320 0.006 0.000 0.297 135 A C -1.736 175.901 177.584 0.087 0.000 1.060 135 A CA -0.792 51.342 52.037 0.162 0.000 0.697 135 A CB 1.000 20.084 19.000 0.139 0.000 1.281 135 A HN 0.156 nan 8.150 nan 0.000 0.402 136 I N 1.528 122.181 120.570 0.138 0.000 2.548 136 I HA 0.407 4.581 4.170 0.006 0.000 0.287 136 I C -0.595 175.711 176.117 0.315 0.000 1.103 136 I CA -0.306 61.069 61.300 0.125 0.000 1.049 136 I CB 2.718 40.614 38.000 -0.173 0.000 1.232 136 I HN 0.575 nan 8.210 nan 0.000 0.429 137 T N 3.688 118.437 114.554 0.326 0.000 2.807 137 T HA 0.399 4.752 4.350 0.006 0.000 0.279 137 T C -1.099 173.952 174.700 0.585 0.000 0.993 137 T CA -0.453 61.901 62.100 0.424 0.000 0.970 137 T CB 0.928 69.980 68.868 0.306 0.000 0.950 137 T HN 0.547 nan 8.240 nan 0.000 0.441 138 H N 2.076 121.474 119.070 0.546 0.000 2.924 138 H HA 0.462 5.022 4.556 0.006 0.000 0.333 138 H C -1.721 173.915 175.328 0.513 0.000 0.979 138 H CA -0.812 55.586 56.048 0.583 0.000 1.326 138 H CB 0.770 30.920 29.762 0.646 0.000 1.600 138 H HN 0.676 nan 8.280 nan 0.000 0.520 139 Y N 5.030 125.488 120.300 0.263 0.000 2.328 139 Y HA 0.239 4.793 4.550 0.006 0.000 0.337 139 Y C -0.833 175.161 175.900 0.157 0.000 1.008 139 Y CA -0.611 57.511 58.100 0.036 0.000 1.129 139 Y CB 1.006 39.224 38.460 -0.403 0.000 1.185 139 Y HN 0.651 nan 8.280 nan 0.000 0.476 140 D N 3.803 123.922 120.400 -0.468 0.000 2.303 140 D HA 0.081 4.724 4.640 0.006 0.000 0.236 140 D C 0.545 176.455 176.300 -0.650 0.000 1.068 140 D CA 0.042 53.878 54.000 -0.274 0.000 0.830 140 D CB 1.844 42.725 40.800 0.135 0.000 1.109 140 D HN 0.777 nan 8.370 nan 0.000 0.496 141 S N 3.927 119.453 115.700 -0.291 0.000 2.453 141 S HA -0.103 4.371 4.470 0.006 0.000 0.231 141 S C 1.847 176.444 174.600 -0.004 0.000 1.005 141 S CA 0.220 58.381 58.200 -0.064 0.000 0.949 141 S CB 0.023 63.317 63.200 0.156 0.000 0.774 141 S HN 0.560 nan 8.310 nan 0.000 0.510 142 I N 2.735 123.293 120.570 -0.019 0.000 2.277 142 I HA -0.029 4.145 4.170 0.006 0.000 0.243 142 I C 1.680 177.809 176.117 0.020 0.000 1.094 142 I CA 1.137 62.449 61.300 0.019 0.000 1.393 142 I CB -1.150 36.855 38.000 0.008 0.000 1.078 142 I HN 0.285 nan 8.210 nan 0.000 0.417 143 D N 0.262 120.671 120.400 0.015 0.000 2.277 143 D HA -0.133 4.510 4.640 0.006 0.000 0.208 143 D C 0.618 176.925 176.300 0.012 0.000 0.962 143 D CA 0.636 54.671 54.000 0.059 0.000 0.865 143 D CB -0.276 40.637 40.800 0.187 0.000 0.939 143 D HN 0.297 nan 8.370 nan 0.000 0.510 144 D N 0.204 120.547 120.400 -0.095 0.000 2.699 144 D HA -0.176 4.468 4.640 0.006 0.000 0.239 144 D C -0.797 175.501 176.300 -0.004 0.000 1.136 144 D CA 0.572 54.538 54.000 -0.055 0.000 0.668 144 D CB -0.315 40.563 40.800 0.129 0.000 1.060 144 D HN 0.027 nan 8.370 nan 0.000 0.429 145 R N 0.112 120.485 120.500 -0.212 0.000 2.795 145 R HA 0.505 4.848 4.340 0.006 0.000 0.275 145 R C -0.628 175.568 176.300 -0.173 0.000 0.981 145 R CA -0.713 55.309 56.100 -0.130 0.000 0.917 145 R CB 0.709 30.789 30.300 -0.367 0.000 1.202 145 R HN 0.024 nan 8.270 nan 0.000 0.469 146 F N 2.048 121.979 119.950 -0.032 0.000 2.350 146 F HA 0.327 4.857 4.527 0.006 0.000 0.365 146 F C 0.042 175.807 175.800 -0.059 0.000 1.122 146 F CA -0.563 57.513 58.000 0.127 0.000 1.139 146 F CB 0.422 39.514 39.000 0.154 0.000 1.220 146 F HN 0.284 nan 8.300 nan 0.000 0.499 147 Y N 2.703 123.179 120.300 0.293 0.000 2.539 147 Y HA 0.380 4.934 4.550 0.006 0.000 0.352 147 Y C 0.121 176.124 175.900 0.173 0.000 1.004 147 Y CA -0.665 57.491 58.100 0.092 0.000 1.278 147 Y CB 0.425 38.775 38.460 -0.183 0.000 1.136 147 Y HN 0.180 nan 8.280 nan 0.000 0.528 148 V N 5.478 125.475 119.914 0.138 0.000 2.407 148 V HA 0.241 4.364 4.120 0.006 0.000 0.278 148 V C -0.496 175.592 176.094 -0.010 0.000 1.037 148 V CA -0.824 61.573 62.300 0.162 0.000 0.900 148 V CB 0.323 32.200 31.823 0.090 0.000 0.983 148 V HN 0.405 nan 8.190 nan 0.000 0.459 149 F N 3.006 123.036 119.950 0.133 0.000 2.375 149 F HA 0.500 5.030 4.527 0.006 0.000 0.361 149 F C 0.153 176.044 175.800 0.152 0.000 1.117 149 F CA -0.798 57.288 58.000 0.143 0.000 1.037 149 F CB 1.238 40.242 39.000 0.008 0.000 1.192 149 F HN 0.411 nan 8.300 nan 0.000 0.452 150 D N 2.960 123.562 120.400 0.336 0.000 2.248 150 D HA 0.386 5.030 4.640 0.006 0.000 0.246 150 D C -1.389 175.140 176.300 0.382 0.000 1.027 150 D CA -0.520 53.693 54.000 0.355 0.000 0.853 150 D CB 2.062 43.111 40.800 0.415 0.000 1.243 150 D HN 0.405 nan 8.370 nan 0.000 0.462 151 L N 4.949 126.373 121.223 0.335 0.000 2.283 151 L HA 0.321 4.665 4.340 0.006 0.000 0.281 151 L C 0.398 177.387 176.870 0.198 0.000 1.033 151 L CA -0.226 54.774 54.840 0.267 0.000 0.848 151 L CB 0.711 42.898 42.059 0.213 0.000 1.226 151 L HN 0.546 nan 8.230 nan 0.000 0.429 152 L N 3.335 124.651 121.223 0.154 0.000 2.291 152 L HA 0.100 4.444 4.340 0.006 0.000 0.214 152 L C 0.191 177.069 176.870 0.014 0.000 1.120 152 L CA 0.448 55.314 54.840 0.043 0.000 0.799 152 L CB -0.346 41.746 42.059 0.055 0.000 0.925 152 L HN 0.634 nan 8.230 nan 0.000 0.446 153 N N 0.004 118.739 118.700 0.058 0.000 2.346 153 N HA 0.376 5.119 4.740 0.006 0.000 0.289 153 N C -0.917 174.625 175.510 0.054 0.000 1.027 153 N CA 0.033 53.108 53.050 0.040 0.000 0.864 153 N CB 2.322 40.832 38.487 0.039 0.000 1.370 153 N HN -0.080 nan 8.380 nan 0.000 0.481 154 S N 1.113 116.836 115.700 0.037 0.000 2.565 154 S HA 0.478 4.951 4.470 0.006 0.000 0.269 154 S C -2.461 172.122 174.600 -0.028 0.000 1.153 154 S CA -1.027 57.198 58.200 0.042 0.000 0.835 154 S CB 1.998 65.272 63.200 0.125 0.000 1.122 154 S HN 0.240 nan 8.310 nan 0.000 0.462 155 P HA 0.030 nan 4.420 nan 0.000 0.236 155 P C -0.036 177.012 177.300 -0.420 0.000 1.172 155 P CA 0.794 63.715 63.100 -0.299 0.000 0.759 155 P CB -0.343 31.106 31.700 -0.419 0.000 0.843 156 Y N 0.049 120.357 120.300 0.014 0.000 2.584 156 Y HA 0.504 5.058 4.550 0.006 0.000 0.254 156 Y C 1.373 177.262 175.900 -0.018 0.000 1.177 156 Y CA 0.177 58.280 58.100 0.006 0.000 1.216 156 Y CB 0.385 38.854 38.460 0.015 0.000 1.172 156 Y HN 0.002 nan 8.280 nan 0.000 0.529 157 G N 0.704 109.544 108.800 0.066 0.000 2.627 157 G HA2 -0.123 3.840 3.960 0.006 0.000 0.680 157 G HA3 -0.123 3.840 3.960 0.006 0.000 0.680 157 G C -1.294 173.603 174.900 -0.004 0.000 1.341 157 G CA -1.179 43.936 45.100 0.024 0.000 0.835 157 G HN 0.185 nan 8.290 nan 0.000 0.643 158 N N -0.609 118.079 118.700 -0.021 0.000 2.443 158 N HA 0.726 5.470 4.740 0.006 0.000 0.295 158 N C 0.160 175.627 175.510 -0.071 0.000 1.076 158 N CA -0.475 52.553 53.050 -0.037 0.000 0.919 158 N CB 2.532 41.007 38.487 -0.020 0.000 1.176 158 N HN 0.960 nan 8.380 nan 0.000 0.487 159 V N -1.252 118.584 119.914 -0.130 0.000 3.040 159 V HA 0.515 4.638 4.120 0.006 0.000 0.312 159 V C -0.436 175.580 176.094 -0.130 0.000 1.115 159 V CA -1.017 61.170 62.300 -0.189 0.000 0.998 159 V CB 1.903 33.433 31.823 -0.489 0.000 1.042 159 V HN 0.583 nan 8.190 nan 0.000 0.433 160 E N 0.820 120.993 120.200 -0.045 0.000 2.349 160 E HA 0.331 4.685 4.350 0.006 0.000 0.262 160 E C -0.362 176.320 176.600 0.137 0.000 1.088 160 E CA -0.557 55.867 56.400 0.040 0.000 0.899 160 E CB 1.095 30.825 29.700 0.050 0.000 1.044 160 E HN 0.766 nan 8.360 nan 0.000 0.420 161 E N 0.627 120.941 120.200 0.190 0.000 2.458 161 E HA -0.101 4.253 4.350 0.006 0.000 0.264 161 E C -0.834 175.976 176.600 0.351 0.000 1.097 161 E CA 0.180 56.793 56.400 0.356 0.000 0.973 161 E CB 0.463 30.366 29.700 0.339 0.000 0.963 161 E HN 0.358 nan 8.360 nan 0.000 0.451 162 W N 2.091 123.471 121.300 0.133 0.000 2.261 162 W HA 0.130 4.794 4.660 0.006 0.000 0.323 162 W C -0.259 176.075 176.519 -0.308 0.000 1.243 162 W CA -0.329 56.911 57.345 -0.175 0.000 1.210 162 W CB 0.992 30.190 29.460 -0.436 0.000 1.149 162 W HN 0.180 nan 8.180 nan 0.000 0.562 163 S N 7.278 122.451 115.700 -0.877 0.000 2.448 163 S HA 0.196 4.670 4.470 0.006 0.000 0.320 163 S C 0.789 174.538 174.600 -1.418 0.000 1.071 163 S CA -0.737 56.943 58.200 -0.867 0.000 1.113 163 S CB 0.488 63.408 63.200 -0.467 0.000 0.972 163 S HN 0.701 nan 8.310 nan 0.000 0.465 164 I N 4.364 124.150 120.570 -1.307 0.000 2.394 164 I HA -0.100 4.073 4.170 0.006 0.000 0.251 164 I C 2.236 178.019 176.117 -0.556 0.000 1.136 164 I CA 1.292 61.921 61.300 -1.119 0.000 1.425 164 I CB -0.044 37.637 38.000 -0.533 0.000 1.079 164 I HN 0.780 nan 8.210 nan 0.000 0.425 165 E N 1.064 121.017 120.200 -0.411 0.000 2.106 165 E HA -0.233 4.121 4.350 0.006 0.000 0.192 165 E C 2.134 178.586 176.600 -0.245 0.000 0.984 165 E CA 1.439 57.686 56.400 -0.254 0.000 0.806 165 E CB -0.708 28.878 29.700 -0.189 0.000 0.750 165 E HN 0.558 nan 8.360 nan 0.000 0.458 166 I N 1.655 122.036 120.570 -0.316 0.000 2.353 166 I HA -0.155 4.018 4.170 0.006 0.000 0.248 166 I C 2.644 178.628 176.117 -0.222 0.000 1.119 166 I CA 0.952 62.103 61.300 -0.248 0.000 1.417 166 I CB -0.335 37.508 38.000 -0.262 0.000 1.078 166 I HN 0.071 nan 8.210 nan 0.000 0.421 167 A N 0.787 123.416 122.820 -0.320 0.000 1.972 167 A HA -0.158 4.166 4.320 0.006 0.000 0.219 167 A C 2.486 180.028 177.584 -0.070 0.000 1.169 167 A CA 1.848 53.801 52.037 -0.139 0.000 0.635 167 A CB -0.676 18.295 19.000 -0.049 0.000 0.810 167 A HN 0.432 nan 8.150 nan 0.000 0.446 168 A N -0.378 122.373 122.820 -0.115 0.000 2.014 168 A HA 0.055 4.379 4.320 0.006 0.000 0.218 168 A C 1.277 178.825 177.584 -0.060 0.000 1.163 168 A CA 0.645 52.636 52.037 -0.077 0.000 0.652 168 A CB -0.198 18.747 19.000 -0.090 0.000 0.808 168 A HN 0.531 nan 8.150 nan 0.000 0.449 169 K N 0.518 120.875 120.400 -0.071 0.000 2.336 169 K HA 0.247 4.570 4.320 0.006 0.000 0.262 169 K C -0.287 176.295 176.600 -0.031 0.000 0.992 169 K CA -0.520 55.736 56.287 -0.052 0.000 0.927 169 K CB 0.304 32.767 32.500 -0.060 0.000 0.956 169 K HN 0.138 nan 8.250 nan 0.000 0.495 170 L N 2.646 123.855 121.223 -0.023 0.000 2.473 170 L HA -0.046 4.297 4.340 0.006 0.000 0.268 170 L C 1.887 178.756 176.870 -0.002 0.000 1.215 170 L CA 0.489 55.323 54.840 -0.009 0.000 0.823 170 L CB 0.133 42.185 42.059 -0.011 0.000 1.099 170 L HN 0.674 nan 8.230 nan 0.000 0.483 171 Q N 1.317 121.125 119.800 0.013 0.000 2.045 171 Q HA -0.226 4.118 4.340 0.006 0.000 0.206 171 Q C 1.653 177.659 176.000 0.010 0.000 0.991 171 Q CA 1.797 57.614 55.803 0.023 0.000 0.851 171 Q CB -0.008 28.754 28.738 0.039 0.000 0.911 171 Q HN 0.575 nan 8.270 nan 0.000 0.418 172 E N 0.680 120.883 120.200 0.005 0.000 2.333 172 E HA -0.203 4.151 4.350 0.006 0.000 0.200 172 E C 1.457 178.053 176.600 -0.006 0.000 1.010 172 E CA 1.027 57.427 56.400 -0.000 0.000 0.841 172 E CB -0.141 29.557 29.700 -0.003 0.000 0.757 172 E HN 0.361 nan 8.360 nan 0.000 0.508 173 Q N -0.851 118.943 119.800 -0.011 0.000 2.220 173 Q HA 0.149 4.493 4.340 0.006 0.000 0.205 173 Q C 0.552 176.539 176.000 -0.021 0.000 0.865 173 Q CA 0.465 56.258 55.803 -0.018 0.000 0.960 173 Q CB 0.398 29.122 28.738 -0.024 0.000 1.097 173 Q HN 0.264 nan 8.270 nan 0.000 0.493 174 G N -0.689 108.102 108.800 -0.015 0.000 2.141 174 G HA2 -0.236 3.728 3.960 0.006 0.000 0.242 174 G HA3 -0.236 3.728 3.960 0.006 0.000 0.242 174 G C 0.235 175.117 174.900 -0.030 0.000 0.982 174 G CA -0.094 44.995 45.100 -0.018 0.000 0.662 174 G HN 0.586 nan 8.290 nan 0.000 0.527 175 G N -1.200 107.583 108.800 -0.029 0.000 2.557 175 G HA2 0.539 4.502 3.960 0.006 0.000 0.302 175 G HA3 0.539 4.502 3.960 0.006 0.000 0.302 175 G C 0.358 175.248 174.900 -0.017 0.000 1.311 175 G CA 0.395 45.471 45.100 -0.041 0.000 1.030 175 G HN 0.024 nan 8.290 nan 0.000 0.509 176 D N -1.226 119.167 120.400 -0.012 0.000 2.327 176 D HA 0.027 4.671 4.640 0.006 0.000 0.205 176 D C 0.756 177.107 176.300 0.085 0.000 0.989 176 D CA 0.396 54.419 54.000 0.037 0.000 0.873 176 D CB 0.456 41.286 40.800 0.050 0.000 0.955 176 D HN 0.668 nan 8.370 nan 0.000 0.515 177 E N 0.082 120.307 120.200 0.042 0.000 2.442 177 E HA -0.158 4.196 4.350 0.006 0.000 0.256 177 E C -0.996 175.631 176.600 0.046 0.000 1.095 177 E CA -0.224 56.199 56.400 0.038 0.000 0.747 177 E CB -1.138 28.592 29.700 0.049 0.000 1.310 177 E HN -0.057 nan 8.360 nan 0.000 0.396 178 V N 1.924 121.861 119.914 0.037 0.000 2.446 178 V HA 0.157 4.280 4.120 0.006 0.000 0.276 178 V C -1.678 174.391 176.094 -0.042 0.000 1.030 178 V CA -0.685 61.623 62.300 0.013 0.000 1.033 178 V CB 0.528 32.370 31.823 0.031 0.000 0.993 178 V HN 0.262 nan 8.190 nan 0.000 0.477 179 P HA -0.071 nan 4.420 nan 0.000 0.262 179 P C 0.923 178.160 177.300 -0.104 0.000 1.151 179 P CA 0.627 63.691 63.100 -0.061 0.000 0.757 179 P CB 0.390 32.067 31.700 -0.038 0.000 0.754 180 S N 2.880 118.546 115.700 -0.057 0.000 2.370 180 S HA -0.196 4.277 4.470 0.006 0.000 0.226 180 S C 1.513 176.077 174.600 -0.060 0.000 1.033 180 S CA 1.453 59.622 58.200 -0.052 0.000 1.011 180 S CB -0.580 62.603 63.200 -0.028 0.000 0.852 180 S HN 0.697 nan 8.310 nan 0.000 0.457 181 E N 2.076 122.245 120.200 -0.051 0.000 2.510 181 E HA -0.146 4.208 4.350 0.006 0.000 0.202 181 E C 1.523 178.073 176.600 -0.084 0.000 1.072 181 E CA 0.926 57.307 56.400 -0.032 0.000 0.883 181 E CB -0.522 29.195 29.700 0.029 0.000 0.818 181 E HN 0.831 nan 8.360 nan 0.000 0.548 182 I N -3.871 116.577 120.570 -0.204 0.000 4.439 182 I HA 0.137 4.310 4.170 0.006 0.000 0.331 182 I C 1.596 177.585 176.117 -0.213 0.000 1.345 182 I CA -0.471 60.668 61.300 -0.269 0.000 1.193 182 I CB 0.102 37.663 38.000 -0.731 0.000 1.221 182 I HN -0.238 nan 8.210 nan 0.000 0.429 183 I N 2.926 123.406 120.570 -0.150 0.000 2.248 183 I HA -0.252 3.921 4.170 0.006 0.000 0.248 183 I C 1.422 177.524 176.117 -0.026 0.000 1.107 183 I CA 1.847 63.099 61.300 -0.079 0.000 1.373 183 I CB -1.127 36.838 38.000 -0.059 0.000 1.055 183 I HN 0.365 nan 8.210 nan 0.000 0.418 184 D N 0.389 120.782 120.400 -0.013 0.000 2.347 184 D HA -0.068 4.575 4.640 0.006 0.000 0.213 184 D C 1.547 177.875 176.300 0.047 0.000 0.985 184 D CA 0.646 54.657 54.000 0.019 0.000 0.879 184 D CB -0.024 40.788 40.800 0.021 0.000 0.919 184 D HN 0.316 nan 8.370 nan 0.000 0.526 185 K N 0.132 120.574 120.400 0.071 0.000 2.446 185 K HA 0.245 4.568 4.320 0.006 0.000 0.203 185 K C 0.033 176.738 176.600 0.176 0.000 1.027 185 K CA -0.024 56.355 56.287 0.153 0.000 1.166 185 K CB 0.954 33.636 32.500 0.303 0.000 0.869 185 K HN 0.145 nan 8.250 nan 0.000 0.504 186 I N 2.143 122.767 120.570 0.089 0.000 2.353 186 I HA 0.198 4.371 4.170 0.006 0.000 0.293 186 I C -0.204 175.956 176.117 0.071 0.000 0.992 186 I CA -0.722 60.632 61.300 0.090 0.000 1.268 186 I CB 1.272 39.323 38.000 0.085 0.000 1.387 186 I HN -0.079 nan 8.210 nan 0.000 0.478 187 I N 7.255 127.834 120.570 0.015 0.000 2.428 187 I HA 0.156 4.329 4.170 0.006 0.000 0.279 187 I C -0.549 175.621 176.117 0.089 0.000 1.040 187 I CA -0.608 60.699 61.300 0.012 0.000 1.171 187 I CB 0.691 38.611 38.000 -0.133 0.000 1.312 187 I HN 0.455 nan 8.210 nan 0.000 0.470 188 Y N 7.752 128.071 120.300 0.032 0.000 2.335 188 Y HA 0.472 5.026 4.550 0.006 0.000 0.331 188 Y C -0.338 175.554 175.900 -0.013 0.000 1.094 188 Y CA -0.501 57.623 58.100 0.040 0.000 1.253 188 Y CB 1.070 39.665 38.460 0.225 0.000 1.203 188 Y HN 0.463 nan 8.280 nan 0.000 0.508 189 M N 9.445 128.695 119.600 -0.583 0.000 2.060 189 M HA 0.343 4.827 4.480 0.006 0.000 0.275 189 M C -2.748 173.169 176.300 -0.639 0.000 0.919 189 M CA -1.721 53.237 55.300 -0.571 0.000 0.970 189 M CB 1.851 34.242 32.600 -0.348 0.000 1.670 189 M HN 0.393 nan 8.290 nan 0.000 0.440 190 P HA 0.539 nan 4.420 nan 0.000 0.279 190 P C -1.257 175.707 177.300 -0.560 0.000 1.252 190 P CA -0.241 62.596 63.100 -0.439 0.000 0.811 190 P CB 0.727 32.258 31.700 -0.282 0.000 1.035 191 F N -0.255 119.687 119.950 -0.014 0.000 2.591 191 F HA 0.249 4.779 4.527 0.006 0.000 0.309 191 F C 1.075 176.902 175.800 0.046 0.000 1.098 191 F CA -0.406 57.614 58.000 0.032 0.000 0.937 191 F CB 1.585 40.633 39.000 0.079 0.000 1.250 191 F HN 0.194 nan 8.300 nan 0.000 0.447 192 D N 0.808 121.320 120.400 0.186 0.000 2.149 192 D HA -0.062 4.581 4.640 0.006 0.000 0.201 192 D C 0.120 176.504 176.300 0.139 0.000 0.972 192 D CA 1.423 55.497 54.000 0.123 0.000 0.835 192 D CB -0.054 40.797 40.800 0.084 0.000 0.966 192 D HN 0.678 nan 8.370 nan 0.000 0.476 193 N N -1.446 117.364 118.700 0.184 0.000 2.610 193 N HA 0.095 4.839 4.740 0.006 0.000 0.264 193 N C 0.278 175.881 175.510 0.155 0.000 1.348 193 N CA -0.748 52.387 53.050 0.141 0.000 0.819 193 N CB 2.062 40.608 38.487 0.098 0.000 1.521 193 N HN -0.284 nan 8.380 nan 0.000 0.497 194 E N 0.485 120.756 120.200 0.119 0.000 2.070 194 E HA -0.258 4.096 4.350 0.006 0.000 0.197 194 E C 0.903 177.583 176.600 0.134 0.000 1.004 194 E CA 1.516 57.983 56.400 0.112 0.000 0.805 194 E CB 0.057 29.822 29.700 0.108 0.000 0.744 194 E HN 0.571 nan 8.360 nan 0.000 0.451 195 K N 0.210 120.697 120.400 0.146 0.000 2.020 195 K HA -0.227 4.097 4.320 0.006 0.000 0.212 195 K C 2.221 178.986 176.600 0.276 0.000 1.050 195 K CA 1.914 58.355 56.287 0.256 0.000 0.929 195 K CB -0.167 32.383 32.500 0.084 0.000 0.714 195 K HN 0.145 nan 8.250 nan 0.000 0.443 196 E N 0.749 121.071 120.200 0.203 0.000 2.110 196 E HA -0.157 4.196 4.350 0.006 0.000 0.193 196 E C 1.856 178.483 176.600 0.044 0.000 0.988 196 E CA 0.545 57.083 56.400 0.229 0.000 0.804 196 E CB 0.001 29.910 29.700 0.347 0.000 0.745 196 E HN 0.127 nan 8.360 nan 0.000 0.458 197 L N 0.802 121.941 121.223 -0.139 0.000 1.955 197 L HA -0.197 4.146 4.340 0.006 0.000 0.213 197 L C 2.029 178.726 176.870 -0.289 0.000 1.072 197 L CA 1.818 56.298 54.840 -0.601 0.000 0.755 197 L CB -1.004 40.892 42.059 -0.271 0.000 0.888 197 L HN 0.258 nan 8.230 nan 0.000 0.432 198 L N -0.704 120.466 121.223 -0.088 0.000 2.042 198 L HA -0.287 4.057 4.340 0.006 0.000 0.210 198 L C 2.665 179.454 176.870 -0.134 0.000 1.076 198 L CA 1.538 56.329 54.840 -0.081 0.000 0.749 198 L CB -0.644 41.413 42.059 -0.004 0.000 0.893 198 L HN 0.372 nan 8.230 nan 0.000 0.432 199 M N 0.432 119.985 119.600 -0.079 0.000 2.117 199 M HA -0.204 4.279 4.480 0.006 0.000 0.262 199 M C 2.077 178.376 176.300 -0.002 0.000 1.065 199 M CA 1.826 57.069 55.300 -0.094 0.000 1.114 199 M CB -0.426 32.225 32.600 0.085 0.000 1.361 199 M HN 0.108 nan 8.290 nan 0.000 0.408 200 E N -1.031 119.213 120.200 0.073 0.000 2.150 200 E HA -0.216 4.137 4.350 0.006 0.000 0.193 200 E C 1.922 178.668 176.600 0.245 0.000 0.985 200 E CA 1.313 57.834 56.400 0.201 0.000 0.814 200 E CB -0.718 29.192 29.700 0.351 0.000 0.752 200 E HN 0.629 nan 8.360 nan 0.000 0.466 201 Y N 0.757 121.035 120.300 -0.037 0.000 2.114 201 Y HA -0.130 4.423 4.550 0.006 0.000 0.284 201 Y C 1.911 177.814 175.900 0.006 0.000 1.143 201 Y CA 1.890 59.881 58.100 -0.182 0.000 1.135 201 Y CB -0.434 37.736 38.460 -0.484 0.000 0.980 201 Y HN 0.052 nan 8.280 nan 0.000 0.499 202 L N 0.101 121.236 121.223 -0.147 0.000 2.043 202 L HA -0.318 4.025 4.340 0.006 0.000 0.212 202 L C 2.011 178.815 176.870 -0.110 0.000 1.075 202 L CA 2.082 56.793 54.840 -0.215 0.000 0.752 202 L CB -0.758 41.154 42.059 -0.245 0.000 0.891 202 L HN 0.366 nan 8.230 nan 0.000 0.432 203 N N -0.647 118.033 118.700 -0.034 0.000 2.244 203 N HA -0.203 4.541 4.740 0.006 0.000 0.183 203 N C 1.792 177.302 175.510 -0.000 0.000 1.016 203 N CA 0.854 53.905 53.050 0.001 0.000 0.866 203 N CB -0.101 38.416 38.487 0.050 0.000 0.980 203 N HN 0.209 nan 8.380 nan 0.000 0.430 204 F N 1.185 121.062 119.950 -0.123 0.000 2.146 204 F HA -0.134 4.396 4.527 0.006 0.000 0.298 204 F C 2.090 177.723 175.800 -0.278 0.000 1.096 204 F CA 1.053 58.936 58.000 -0.194 0.000 1.275 204 F CB -0.407 38.504 39.000 -0.149 0.000 1.008 204 F HN 0.166 nan 8.300 nan 0.000 0.480 205 W N 1.794 122.643 121.300 -0.752 0.000 2.392 205 W HA -0.199 4.465 4.660 0.006 0.000 0.279 205 W C 2.161 178.380 176.519 -0.501 0.000 1.225 205 W CA 1.882 58.770 57.345 -0.762 0.000 1.233 205 W CB -0.578 28.498 29.460 -0.639 0.000 1.122 205 W HN 0.303 nan 8.180 nan 0.000 0.561 206 Q N -0.230 119.507 119.800 -0.106 0.000 2.083 206 Q HA -0.205 4.139 4.340 0.006 0.000 0.198 206 Q C 2.361 178.253 176.000 -0.179 0.000 0.969 206 Q CA 1.351 57.105 55.803 -0.081 0.000 0.838 206 Q CB -0.101 28.609 28.738 -0.047 0.000 0.900 206 Q HN 0.109 nan 8.270 nan 0.000 0.436 207 Q N 0.319 119.972 119.800 -0.244 0.000 2.083 207 Q HA -0.059 4.284 4.340 0.006 0.000 0.198 207 Q C 0.407 176.201 176.000 -0.344 0.000 0.969 207 Q CA 1.167 56.827 55.803 -0.240 0.000 0.838 207 Q CB 0.206 28.828 28.738 -0.194 0.000 0.900 207 Q HN 0.041 nan 8.270 nan 0.000 0.436 208 K N 1.136 121.175 120.400 -0.601 0.000 2.847 208 K HA 0.199 4.522 4.320 0.006 0.000 0.213 208 K C -0.982 175.192 176.600 -0.710 0.000 1.174 208 K CA -0.029 55.873 56.287 -0.641 0.000 1.095 208 K CB 0.832 32.813 32.500 -0.866 0.000 1.581 208 K HN -0.085 nan 8.250 nan 0.000 0.514 209 T N 3.217 117.446 114.554 -0.542 0.000 2.784 209 T HA 0.094 4.447 4.350 0.006 0.000 0.291 209 T C -2.298 172.103 174.700 -0.498 0.000 0.942 209 T CA -1.167 60.572 62.100 -0.601 0.000 1.161 209 T CB 0.188 68.871 68.868 -0.308 0.000 0.885 209 T HN 0.095 nan 8.240 nan 0.000 0.534 210 P HA 0.114 nan 4.420 nan 0.000 0.266 210 P C 0.504 177.688 177.300 -0.193 0.000 1.195 210 P CA -0.210 62.653 63.100 -0.395 0.000 0.768 210 P CB 0.678 32.068 31.700 -0.517 0.000 0.838 211 V N 3.201 123.064 119.914 -0.084 0.000 2.521 211 V HA 0.064 4.187 4.120 0.006 0.000 0.239 211 V C 0.963 177.074 176.094 0.029 0.000 1.053 211 V CA 1.141 63.440 62.300 -0.002 0.000 1.073 211 V CB -0.114 31.737 31.823 0.046 0.000 0.746 211 V HN 0.415 nan 8.190 nan 0.000 0.476 212 I N 1.969 122.563 120.570 0.040 0.000 2.354 212 I HA 0.398 4.572 4.170 0.006 0.000 0.292 212 I C -0.806 175.356 176.117 0.075 0.000 0.989 212 I CA -0.441 60.902 61.300 0.072 0.000 1.188 212 I CB 1.357 39.414 38.000 0.095 0.000 1.342 212 I HN 0.097 nan 8.210 nan 0.000 0.457 213 L N 6.979 128.267 121.223 0.110 0.000 2.294 213 L HA 0.561 4.905 4.340 0.006 0.000 0.283 213 L C -0.018 176.995 176.870 0.238 0.000 1.015 213 L CA 0.415 55.349 54.840 0.155 0.000 0.831 213 L CB 1.460 43.633 42.059 0.189 0.000 1.217 213 L HN 0.711 nan 8.230 nan 0.000 0.420 214 T N 2.769 117.489 114.554 0.278 0.000 2.807 214 T HA 0.992 5.346 4.350 0.006 0.000 0.277 214 T C -0.390 174.514 174.700 0.341 0.000 1.006 214 T CA -0.070 62.220 62.100 0.316 0.000 1.006 214 T CB 1.467 70.550 68.868 0.357 0.000 1.274 214 T HN 1.070 nan 8.240 nan 0.000 0.569 215 G N -0.290 108.704 108.800 0.323 0.000 2.356 215 G HA2 0.207 4.170 3.960 0.006 0.000 0.300 215 G HA3 0.207 4.170 3.960 0.006 0.000 0.300 215 G C -2.082 173.005 174.900 0.312 0.000 1.331 215 G CA -0.710 44.545 45.100 0.258 0.000 0.905 215 G HN 0.728 nan 8.290 nan 0.000 0.587 216 W N 1.744 123.080 121.300 0.060 0.000 2.291 216 W HA 0.455 5.119 4.660 0.006 0.000 0.312 216 W C 0.712 177.258 176.519 0.047 0.000 1.061 216 W CA 0.152 57.541 57.345 0.074 0.000 1.296 216 W CB 0.879 30.361 29.460 0.037 0.000 1.223 216 W HN 0.918 nan 8.180 nan 0.000 0.421 217 N N 3.368 121.922 118.700 -0.243 0.000 2.800 217 N HA -0.246 4.498 4.740 0.006 0.000 0.250 217 N C 0.739 176.259 175.510 0.017 0.000 1.078 217 N CA 1.133 54.090 53.050 -0.155 0.000 0.804 217 N CB -1.105 37.332 38.487 -0.083 0.000 1.135 217 N HN 0.293 nan 8.380 nan 0.000 0.565 218 V N -0.027 119.900 119.914 0.023 0.000 2.469 218 V HA -0.189 3.934 4.120 0.006 0.000 0.251 218 V C 2.135 178.278 176.094 0.081 0.000 1.064 218 V CA 2.471 64.790 62.300 0.032 0.000 1.066 218 V CB -0.229 31.620 31.823 0.044 0.000 0.667 218 V HN 0.476 nan 8.190 nan 0.000 0.461 219 E N -0.197 120.031 120.200 0.047 0.000 2.152 219 E HA -0.130 4.224 4.350 0.006 0.000 0.192 219 E C 2.137 178.753 176.600 0.027 0.000 0.983 219 E CA 1.382 57.801 56.400 0.031 0.000 0.818 219 E CB 0.036 29.716 29.700 -0.032 0.000 0.758 219 E HN 0.774 nan 8.360 nan 0.000 0.467 220 S N -1.344 114.378 115.700 0.037 0.000 2.535 220 S HA 0.077 4.551 4.470 0.006 0.000 0.214 220 S C 1.109 175.828 174.600 0.198 0.000 0.980 220 S CA -0.352 57.891 58.200 0.072 0.000 0.907 220 S CB 0.195 63.414 63.200 0.031 0.000 0.790 220 S HN 0.304 nan 8.310 nan 0.000 0.510 221 F N 0.967 120.940 119.950 0.038 0.000 1.941 221 F HA 0.590 5.120 4.527 0.006 0.000 0.230 221 F C 2.262 178.122 175.800 0.100 0.000 1.181 221 F CA 0.375 58.420 58.000 0.075 0.000 1.294 221 F CB -0.505 38.521 39.000 0.045 0.000 1.748 221 F HN 0.109 nan 8.300 nan 0.000 0.419 222 A N 1.988 124.771 122.820 -0.060 0.000 1.863 222 A HA -0.258 4.066 4.320 0.006 0.000 0.218 222 A C 2.090 179.691 177.584 0.029 0.000 1.233 222 A CA 2.830 54.773 52.037 -0.157 0.000 0.655 222 A CB -1.602 17.211 19.000 -0.312 0.000 0.839 222 A HN 0.537 nan 8.150 nan 0.000 0.454 223 I N 0.116 120.797 120.570 0.184 0.000 2.091 223 I HA -0.235 3.938 4.170 0.006 0.000 0.239 223 I C -0.370 175.823 176.117 0.128 0.000 1.061 223 I CA 2.116 63.564 61.300 0.247 0.000 1.317 223 I CB -1.620 36.520 38.000 0.235 0.000 1.031 223 I HN 0.242 nan 8.210 nan 0.000 0.401 224 P HA -0.233 nan 4.420 nan 0.000 0.214 224 P C 1.698 179.023 177.300 0.042 0.000 1.163 224 P CA 1.654 64.781 63.100 0.044 0.000 0.889 224 P CB -0.165 31.550 31.700 0.025 0.000 0.790 225 Y N -0.101 120.093 120.300 -0.176 0.000 2.181 225 Y HA -0.157 4.396 4.550 0.006 0.000 0.288 225 Y C 2.290 178.128 175.900 -0.104 0.000 1.146 225 Y CA 1.191 59.161 58.100 -0.217 0.000 1.164 225 Y CB -0.888 37.232 38.460 -0.567 0.000 0.982 225 Y HN -0.250 nan 8.280 nan 0.000 0.515 226 V N -0.482 119.509 119.914 0.129 0.000 2.970 226 V HA -0.215 3.908 4.120 0.006 0.000 0.260 226 V C 1.787 177.889 176.094 0.014 0.000 1.100 226 V CA 1.734 64.085 62.300 0.084 0.000 1.122 226 V CB -0.711 31.168 31.823 0.093 0.000 0.721 226 V HN 0.584 nan 8.190 nan 0.000 0.483 227 Y N 1.170 121.423 120.300 -0.078 0.000 2.201 227 Y HA -0.012 4.541 4.550 0.006 0.000 0.292 227 Y C 2.433 178.272 175.900 -0.102 0.000 1.119 227 Y CA 2.070 60.110 58.100 -0.099 0.000 1.127 227 Y CB -0.156 38.259 38.460 -0.076 0.000 1.019 227 Y HN 0.295 nan 8.280 nan 0.000 0.514 228 N N 0.317 119.010 118.700 -0.011 0.000 2.331 228 N HA -0.131 4.613 4.740 0.006 0.000 0.180 228 N C 1.828 177.219 175.510 -0.198 0.000 1.019 228 N CA 0.873 53.852 53.050 -0.118 0.000 0.881 228 N CB -0.220 38.205 38.487 -0.104 0.000 0.972 228 N HN 0.250 nan 8.380 nan 0.000 0.435 229 R N 1.387 121.757 120.500 -0.216 0.000 2.073 229 R HA 0.170 4.513 4.340 0.006 0.000 0.229 229 R C 2.020 178.297 176.300 -0.038 0.000 1.120 229 R CA 0.817 56.833 56.100 -0.140 0.000 0.967 229 R CB -0.484 29.784 30.300 -0.052 0.000 0.862 229 R HN 0.163 nan 8.270 nan 0.000 0.436 230 I N 0.467 120.986 120.570 -0.084 0.000 2.546 230 I HA -0.181 3.993 4.170 0.006 0.000 0.255 230 I C 2.307 178.392 176.117 -0.054 0.000 1.163 230 I CA 0.947 62.215 61.300 -0.053 0.000 1.457 230 I CB -0.254 37.596 38.000 -0.251 0.000 1.092 230 I HN 0.243 nan 8.210 nan 0.000 0.434 231 K N 1.265 121.541 120.400 -0.207 0.000 1.991 231 K HA -0.131 4.193 4.320 0.006 0.000 0.207 231 K C 1.754 178.306 176.600 -0.080 0.000 1.045 231 K CA 1.300 57.465 56.287 -0.204 0.000 0.937 231 K CB 0.013 32.336 32.500 -0.296 0.000 0.720 231 K HN 0.179 nan 8.250 nan 0.000 0.438 232 N N 0.892 119.546 118.700 -0.077 0.000 2.430 232 N HA -0.121 4.623 4.740 0.006 0.000 0.186 232 N C 1.580 177.060 175.510 -0.049 0.000 1.032 232 N CA 1.004 54.019 53.050 -0.058 0.000 0.893 232 N CB 0.004 38.451 38.487 -0.066 0.000 0.957 232 N HN 0.342 nan 8.380 nan 0.000 0.442 233 I N -1.771 118.792 120.570 -0.012 0.000 3.132 233 I HA 0.020 4.193 4.170 0.006 0.000 0.255 233 I C 0.572 176.569 176.117 -0.199 0.000 1.118 233 I CA 0.426 61.660 61.300 -0.111 0.000 1.463 233 I CB 0.082 38.009 38.000 -0.121 0.000 1.356 233 I HN -0.131 nan 8.210 nan 0.000 0.463 234 F N 1.337 121.238 119.950 -0.082 0.000 2.727 234 F HA 0.464 4.995 4.527 0.006 0.000 0.302 234 F C 1.098 176.848 175.800 -0.082 0.000 1.097 234 F CA -0.028 57.928 58.000 -0.073 0.000 1.330 234 F CB -0.251 38.703 39.000 -0.076 0.000 1.084 234 F HN 0.100 nan 8.300 nan 0.000 0.578 235 G N 0.823 109.668 108.800 0.076 0.000 2.692 235 G HA2 -0.228 3.735 3.960 0.006 0.000 0.686 235 G HA3 -0.228 3.735 3.960 0.006 0.000 0.686 235 G C 0.315 175.186 174.900 -0.048 0.000 1.243 235 G CA -0.307 44.794 45.100 0.002 0.000 0.782 235 G HN 0.281 nan 8.290 nan 0.000 0.625 236 E N -0.251 119.907 120.200 -0.070 0.000 2.463 236 E HA -0.058 4.296 4.350 0.006 0.000 0.201 236 E C 2.217 178.773 176.600 -0.074 0.000 1.045 236 E CA 1.434 57.774 56.400 -0.101 0.000 0.872 236 E CB -0.110 29.564 29.700 -0.044 0.000 0.797 236 E HN 0.449 nan 8.360 nan 0.000 0.538 237 S N -0.770 114.902 115.700 -0.047 0.000 2.425 237 S HA -0.052 4.422 4.470 0.006 0.000 0.225 237 S C 1.840 176.407 174.600 -0.055 0.000 1.024 237 S CA 0.999 59.178 58.200 -0.035 0.000 0.951 237 S CB 0.124 63.315 63.200 -0.015 0.000 0.796 237 S HN 0.275 nan 8.310 nan 0.000 0.498 238 T N 2.403 116.916 114.554 -0.070 0.000 2.809 238 T HA 0.113 4.466 4.350 0.006 0.000 0.260 238 T C 2.248 176.829 174.700 -0.198 0.000 1.039 238 T CA 1.030 63.059 62.100 -0.118 0.000 1.141 238 T CB -0.490 68.319 68.868 -0.098 0.000 0.869 238 T HN 0.406 nan 8.240 nan 0.000 0.437 239 A N 1.956 124.625 122.820 -0.252 0.000 1.958 239 A HA -0.193 4.130 4.320 0.006 0.000 0.221 239 A C 2.073 179.523 177.584 -0.223 0.000 1.178 239 A CA 1.679 53.475 52.037 -0.403 0.000 0.642 239 A CB -0.556 17.983 19.000 -0.769 0.000 0.816 239 A HN 0.456 nan 8.150 nan 0.000 0.453 240 K N -0.648 119.695 120.400 -0.096 0.000 2.574 240 K HA -0.023 4.301 4.320 0.006 0.000 0.193 240 K C 1.793 178.377 176.600 -0.027 0.000 1.035 240 K CA 0.301 56.604 56.287 0.027 0.000 0.982 240 K CB -0.094 32.421 32.500 0.024 0.000 0.795 240 K HN 0.408 nan 8.250 nan 0.000 0.491 241 R N 0.346 120.783 120.500 -0.105 0.000 2.189 241 R HA -0.018 4.326 4.340 0.006 0.000 0.218 241 R C 1.909 178.110 176.300 -0.166 0.000 1.074 241 R CA 0.650 56.678 56.100 -0.120 0.000 0.991 241 R CB -0.196 30.006 30.300 -0.163 0.000 0.883 241 R HN 0.226 nan 8.270 nan 0.000 0.457 242 L N 0.438 121.499 121.223 -0.270 0.000 2.261 242 L HA -0.087 4.256 4.340 0.006 0.000 0.216 242 L C 1.320 178.191 176.870 0.002 0.000 1.114 242 L CA 0.638 55.200 54.840 -0.463 0.000 0.777 242 L CB -0.230 41.563 42.059 -0.444 0.000 0.910 242 L HN -0.018 nan 8.230 nan 0.000 0.440 243 S N 0.119 115.843 115.700 0.040 0.000 2.475 243 S HA 0.240 4.714 4.470 0.006 0.000 0.281 243 S C -1.313 173.303 174.600 0.028 0.000 1.198 243 S CA -1.643 56.605 58.200 0.080 0.000 1.063 243 S CB 1.097 64.350 63.200 0.087 0.000 0.972 243 S HN -0.042 nan 8.310 nan 0.000 0.486 244 P HA -0.069 nan 4.420 nan 0.000 0.225 244 P C 0.168 177.395 177.300 -0.120 0.000 1.148 244 P CA 1.034 64.058 63.100 -0.126 0.000 0.779 244 P CB -0.042 31.511 31.700 -0.245 0.000 0.780 245 H N -0.297 118.797 119.070 0.039 0.000 2.542 245 H HA 0.272 4.831 4.556 0.006 0.000 0.283 245 H C 0.588 175.850 175.328 -0.110 0.000 1.059 245 H CA -0.290 55.721 56.048 -0.061 0.000 1.162 245 H CB 0.197 29.795 29.762 -0.273 0.000 1.539 245 H HN -0.037 nan 8.280 nan 0.000 0.543 246 R N 0.255 120.773 120.500 0.031 0.000 3.758 246 R HA -0.203 4.141 4.340 0.006 0.000 0.299 246 R C 0.142 176.413 176.300 -0.048 0.000 1.182 246 R CA 0.536 56.634 56.100 -0.003 0.000 0.809 246 R CB -2.234 28.065 30.300 -0.002 0.000 1.249 246 R HN 0.425 nan 8.270 nan 0.000 0.497 247 K N 1.158 121.517 120.400 -0.069 0.000 2.463 247 K HA 0.340 4.663 4.320 0.006 0.000 0.255 247 K C -0.304 176.252 176.600 -0.074 0.000 0.942 247 K CA -0.129 56.038 56.287 -0.200 0.000 0.814 247 K CB 1.404 33.593 32.500 -0.517 0.000 1.122 247 K HN 0.149 nan 8.250 nan 0.000 0.425 248 T N 0.631 115.162 114.554 -0.038 0.000 2.926 248 T HA 0.576 4.930 4.350 0.006 0.000 0.289 248 T C -0.736 173.998 174.700 0.058 0.000 1.054 248 T CA -1.022 61.125 62.100 0.078 0.000 1.015 248 T CB 1.764 70.632 68.868 -0.001 0.000 1.167 248 T HN 0.634 nan 8.240 nan 0.000 0.526 249 R N 0.606 121.173 120.500 0.112 0.000 2.522 249 R HA 0.610 4.954 4.340 0.006 0.000 0.283 249 R C -2.189 174.104 176.300 -0.012 0.000 1.074 249 R CA -0.689 55.467 56.100 0.093 0.000 0.925 249 R CB 2.003 32.456 30.300 0.256 0.000 1.205 249 R HN 0.600 nan 8.270 nan 0.000 0.436 250 V N 4.707 124.604 119.914 -0.028 0.000 2.378 250 V HA 0.363 4.486 4.120 0.006 0.000 0.288 250 V C -0.218 175.860 176.094 -0.027 0.000 1.016 250 V CA -0.715 61.553 62.300 -0.054 0.000 0.840 250 V CB 1.443 33.242 31.823 -0.040 0.000 0.994 250 V HN 0.655 nan 8.190 nan 0.000 0.431 251 K N 3.271 123.650 120.400 -0.036 0.000 2.156 251 K HA 0.548 4.872 4.320 0.006 0.000 0.271 251 K C 0.650 177.235 176.600 -0.024 0.000 0.995 251 K CA -0.565 55.705 56.287 -0.028 0.000 0.890 251 K CB 1.884 34.361 32.500 -0.039 0.000 1.073 251 K HN 0.518 nan 8.250 nan 0.000 0.454 252 V N 2.114 122.019 119.914 -0.016 0.000 2.337 252 V HA 0.147 4.270 4.120 0.006 0.000 0.210 252 V C 0.625 176.714 176.094 -0.009 0.000 1.053 252 V CA -0.019 62.277 62.300 -0.007 0.000 1.093 252 V CB -0.548 31.274 31.823 -0.001 0.000 0.690 252 V HN 0.850 nan 8.190 nan 0.000 0.475 253 I N 1.008 121.572 120.570 -0.009 0.000 7.634 253 I HA -0.118 4.055 4.170 0.006 0.000 0.126 253 I C -0.658 175.461 176.117 0.002 0.000 1.842 253 I CA 0.543 61.836 61.300 -0.011 0.000 2.040 253 I CB -1.995 35.991 38.000 -0.024 0.000 3.684 253 I HN 0.792 nan 8.210 nan 0.000 0.170 254 E N 4.860 125.066 120.200 0.010 0.000 2.195 254 E HA 0.541 4.895 4.350 0.006 0.000 0.271 254 E C 0.294 176.910 176.600 0.028 0.000 0.923 254 E CA -0.719 55.697 56.400 0.027 0.000 0.790 254 E CB 1.188 30.907 29.700 0.033 0.000 1.155 254 E HN 0.503 nan 8.360 nan 0.000 0.402 255 N N 1.408 120.141 118.700 0.054 0.000 2.290 255 N HA 0.039 4.783 4.740 0.006 0.000 0.269 255 N C 0.757 176.288 175.510 0.034 0.000 1.295 255 N CA -0.317 52.765 53.050 0.054 0.000 0.932 255 N CB 0.239 38.803 38.487 0.129 0.000 1.128 255 N HN 0.387 nan 8.380 nan 0.000 0.532 256 M N -0.198 119.371 119.600 -0.050 0.000 2.394 256 M HA -0.064 4.420 4.480 0.006 0.000 0.264 256 M C 0.175 176.456 176.300 -0.032 0.000 1.073 256 M CA 1.468 56.681 55.300 -0.146 0.000 1.111 256 M CB -0.869 31.512 32.600 -0.364 0.000 1.401 256 M HN 0.669 nan 8.290 nan 0.000 0.448 257 Y N -2.125 118.181 120.300 0.010 0.000 2.885 257 Y HA 0.641 5.195 4.550 0.006 0.000 0.258 257 Y C -0.060 175.852 175.900 0.020 0.000 0.926 257 Y CA -1.122 56.987 58.100 0.015 0.000 1.121 257 Y CB -0.109 38.360 38.460 0.015 0.000 1.213 257 Y HN 0.001 nan 8.280 nan 0.000 0.648 258 G N 0.288 109.233 108.800 0.241 0.000 2.667 258 G HA2 0.381 4.345 3.960 0.006 0.000 0.294 258 G HA3 0.381 4.345 3.960 0.006 0.000 0.294 258 G C -2.010 172.951 174.900 0.101 0.000 1.467 258 G CA -0.864 44.317 45.100 0.135 0.000 0.852 258 G HN 0.105 nan 8.290 nan 0.000 0.521 259 S N 0.339 116.087 115.700 0.080 0.000 2.566 259 S HA 0.639 5.112 4.470 0.006 0.000 0.324 259 S C -0.199 174.439 174.600 0.064 0.000 1.081 259 S CA -0.885 57.354 58.200 0.065 0.000 1.105 259 S CB 0.278 63.514 63.200 0.060 0.000 0.981 259 S HN 0.570 nan 8.310 nan 0.000 0.464 260 R N 3.329 123.859 120.500 0.050 0.000 2.532 260 R HA 0.539 4.882 4.340 0.006 0.000 0.295 260 R C -0.540 175.777 176.300 0.028 0.000 0.968 260 R CA -0.646 55.481 56.100 0.045 0.000 0.916 260 R CB 0.862 31.180 30.300 0.030 0.000 1.124 260 R HN 0.686 nan 8.270 nan 0.000 0.463 261 E N 1.983 122.200 120.200 0.028 0.000 2.234 261 E HA 0.432 4.786 4.350 0.006 0.000 0.266 261 E C -0.826 175.767 176.600 -0.012 0.000 0.877 261 E CA -0.609 55.796 56.400 0.008 0.000 0.758 261 E CB 1.641 31.351 29.700 0.017 0.000 1.170 261 E HN 0.451 nan 8.360 nan 0.000 0.415 262 I N 4.582 125.131 120.570 -0.035 0.000 2.359 262 I HA 0.330 4.503 4.170 0.006 0.000 0.284 262 I C -0.733 175.332 176.117 -0.086 0.000 1.018 262 I CA -0.797 60.469 61.300 -0.056 0.000 1.173 262 I CB 0.680 38.643 38.000 -0.063 0.000 1.326 262 I HN 0.317 nan 8.210 nan 0.000 0.462 263 I N 5.105 125.607 120.570 -0.113 0.000 2.385 263 I HA 0.354 4.528 4.170 0.006 0.000 0.294 263 I C 0.357 176.386 176.117 -0.147 0.000 0.988 263 I CA 0.109 61.291 61.300 -0.197 0.000 1.265 263 I CB 1.810 39.603 38.000 -0.346 0.000 1.388 263 I HN 0.470 nan 8.210 nan 0.000 0.480 264 T N 7.117 121.591 114.554 -0.133 0.000 2.809 264 T HA 0.597 4.950 4.350 0.006 0.000 0.284 264 T C -0.328 174.353 174.700 -0.031 0.000 0.992 264 T CA -0.510 61.529 62.100 -0.102 0.000 0.957 264 T CB 0.650 69.437 68.868 -0.135 0.000 0.942 264 T HN 0.227 nan 8.240 nan 0.000 0.439 265 L N 3.814 125.026 121.223 -0.019 0.000 2.265 265 L HA 0.535 4.879 4.340 0.006 0.000 0.289 265 L C -0.403 176.529 176.870 0.102 0.000 1.033 265 L CA -0.923 53.973 54.840 0.093 0.000 0.814 265 L CB 0.364 42.483 42.059 0.099 0.000 1.203 265 L HN 0.503 nan 8.230 nan 0.000 0.423 266 F N 1.714 121.662 119.950 -0.003 0.000 2.459 266 F HA 0.389 4.920 4.527 0.006 0.000 0.346 266 F C 1.487 177.301 175.800 0.024 0.000 1.128 266 F CA 0.800 58.818 58.000 0.031 0.000 1.268 266 F CB 0.844 39.858 39.000 0.024 0.000 1.161 266 F HN 0.742 nan 8.300 nan 0.000 0.583 267 G N 2.143 111.064 108.800 0.202 0.000 2.176 267 G HA2 -0.256 3.707 3.960 0.006 0.000 0.253 267 G HA3 -0.256 3.707 3.960 0.006 0.000 0.253 267 G C -0.158 174.765 174.900 0.038 0.000 0.979 267 G CA -0.073 45.069 45.100 0.071 0.000 0.641 267 G HN 0.532 nan 8.290 nan 0.000 0.530 268 I N 0.782 121.384 120.570 0.053 0.000 2.608 268 I HA 0.486 4.659 4.170 0.006 0.000 0.295 268 I C -0.366 175.781 176.117 0.049 0.000 1.049 268 I CA -0.849 60.486 61.300 0.059 0.000 1.063 268 I CB 2.362 40.426 38.000 0.107 0.000 1.248 268 I HN 0.006 nan 8.210 nan 0.000 0.424 269 S N 4.209 119.944 115.700 0.059 0.000 2.461 269 S HA 0.362 4.836 4.470 0.006 0.000 0.322 269 S C -0.295 174.356 174.600 0.084 0.000 1.063 269 S CA -0.516 57.718 58.200 0.057 0.000 1.120 269 S CB 1.058 64.289 63.200 0.052 0.000 0.968 269 S HN 0.271 nan 8.310 nan 0.000 0.467 270 V N 5.839 125.806 119.914 0.090 0.000 2.408 270 V HA 0.297 4.421 4.120 0.006 0.000 0.267 270 V C -0.133 176.054 176.094 0.155 0.000 1.047 270 V CA -0.231 62.144 62.300 0.126 0.000 0.937 270 V CB 0.475 32.363 31.823 0.108 0.000 0.999 270 V HN 0.725 nan 8.190 nan 0.000 0.472 271 L N 4.510 125.845 121.223 0.186 0.000 2.387 271 L HA 0.399 4.743 4.340 0.006 0.000 0.259 271 L C 0.173 177.175 176.870 0.220 0.000 1.050 271 L CA -0.434 54.550 54.840 0.241 0.000 0.922 271 L CB 1.049 43.221 42.059 0.188 0.000 1.280 271 L HN 0.549 nan 8.230 nan 0.000 0.449 272 D N 0.824 121.310 120.400 0.143 0.000 2.450 272 D HA -0.140 4.503 4.640 0.006 0.000 0.247 272 D C 0.689 177.039 176.300 0.083 0.000 1.162 272 D CA 0.432 54.477 54.000 0.075 0.000 0.879 272 D CB 0.878 41.634 40.800 -0.073 0.000 1.163 272 D HN 0.345 nan 8.370 nan 0.000 0.472 273 Y N 3.587 123.932 120.300 0.075 0.000 2.421 273 Y HA -0.095 4.458 4.550 0.006 0.000 0.292 273 Y C 2.135 178.019 175.900 -0.026 0.000 1.136 273 Y CA 0.809 59.004 58.100 0.159 0.000 1.255 273 Y CB 0.052 38.713 38.460 0.335 0.000 0.991 273 Y HN 0.573 nan 8.280 nan 0.000 0.552 274 I N -0.636 119.724 120.570 -0.351 0.000 2.546 274 I HA -0.261 3.913 4.170 0.006 0.000 0.255 274 I C 1.451 177.351 176.117 -0.362 0.000 1.163 274 I CA 1.488 62.398 61.300 -0.650 0.000 1.457 274 I CB -0.102 37.319 38.000 -0.965 0.000 1.092 274 I HN 0.134 nan 8.210 nan 0.000 0.434 275 D N 0.503 120.717 120.400 -0.310 0.000 2.194 275 D HA -0.083 4.561 4.640 0.006 0.000 0.204 275 D C 2.285 178.479 176.300 -0.177 0.000 0.964 275 D CA 1.028 54.826 54.000 -0.337 0.000 0.846 275 D CB -0.026 40.432 40.800 -0.569 0.000 0.962 275 D HN 0.366 nan 8.370 nan 0.000 0.490 276 L N -0.185 120.962 121.223 -0.127 0.000 2.056 276 L HA -0.177 4.167 4.340 0.006 0.000 0.207 276 L C 2.473 179.001 176.870 -0.570 0.000 1.078 276 L CA 0.940 55.564 54.840 -0.360 0.000 0.749 276 L CB -0.392 41.434 42.059 -0.389 0.000 0.901 276 L HN 0.034 nan 8.230 nan 0.000 0.433 277 Y N 0.869 120.959 120.300 -0.350 0.000 2.200 277 Y HA -0.279 4.275 4.550 0.006 0.000 0.290 277 Y C 2.559 178.363 175.900 -0.160 0.000 1.137 277 Y CA 1.614 59.688 58.100 -0.043 0.000 1.163 277 Y CB 0.095 38.754 38.460 0.332 0.000 0.988 277 Y HN -0.067 nan 8.280 nan 0.000 0.518 278 K N 0.491 120.835 120.400 -0.092 0.000 2.097 278 K HA -0.172 4.151 4.320 0.006 0.000 0.206 278 K C 2.128 178.484 176.600 -0.408 0.000 1.049 278 K CA 1.548 57.696 56.287 -0.231 0.000 0.933 278 K CB -0.134 32.155 32.500 -0.352 0.000 0.717 278 K HN 0.200 nan 8.250 nan 0.000 0.442 279 K N -1.232 118.824 120.400 -0.573 0.000 2.202 279 K HA 0.062 4.385 4.320 0.006 0.000 0.201 279 K C 1.161 177.285 176.600 -0.793 0.000 1.051 279 K CA 0.757 56.603 56.287 -0.735 0.000 0.977 279 K CB 0.238 32.203 32.500 -0.891 0.000 0.792 279 K HN 0.121 nan 8.250 nan 0.000 0.469 280 F N -0.050 119.495 119.950 -0.675 0.000 2.731 280 F HA 0.030 4.561 4.527 0.006 0.000 0.298 280 F C 2.239 177.847 175.800 -0.319 0.000 1.106 280 F CA -0.180 57.439 58.000 -0.635 0.000 1.329 280 F CB 0.538 38.932 39.000 -1.011 0.000 1.100 280 F HN 0.049 nan 8.300 nan 0.000 0.592 281 S N 0.070 115.618 115.700 -0.252 0.000 2.436 281 S HA -0.142 4.332 4.470 0.006 0.000 0.228 281 S C 0.694 175.386 174.600 0.154 0.000 1.014 281 S CA 0.132 58.334 58.200 0.004 0.000 0.950 281 S CB -0.834 61.936 63.200 -0.716 0.000 0.784 281 S HN 0.320 nan 8.310 nan 0.000 0.504 282 F N 2.394 122.304 119.950 -0.066 0.000 2.983 282 F HA -0.165 4.366 4.527 0.006 0.000 0.288 282 F C 0.538 176.336 175.800 -0.004 0.000 0.980 282 F CA 0.850 58.840 58.000 -0.016 0.000 0.965 282 F CB -2.266 36.748 39.000 0.023 0.000 0.967 282 F HN 0.597 nan 8.300 nan 0.000 0.800 283 T N -2.729 111.842 114.554 0.028 0.000 2.883 283 T HA 0.658 5.012 4.350 0.006 0.000 0.296 283 T C -0.869 173.851 174.700 0.033 0.000 1.117 283 T CA -0.998 61.126 62.100 0.039 0.000 1.006 283 T CB 2.613 71.486 68.868 0.009 0.000 1.191 283 T HN 0.149 nan 8.240 nan 0.000 0.508 284 N N 1.697 120.401 118.700 0.007 0.000 2.577 284 N HA 0.205 4.948 4.740 0.006 0.000 0.275 284 N C -1.130 174.323 175.510 -0.096 0.000 1.091 284 N CA -0.352 52.711 53.050 0.022 0.000 0.843 284 N CB 1.566 40.053 38.487 0.001 0.000 1.295 284 N HN 0.568 nan 8.380 nan 0.000 0.530 285 Q N 2.397 122.059 119.800 -0.230 0.000 2.230 285 Q HA 0.384 4.727 4.340 0.006 0.000 0.248 285 Q C -1.603 174.059 176.000 -0.564 0.000 0.915 285 Q CA -1.511 53.976 55.803 -0.526 0.000 0.900 285 Q CB 1.311 29.515 28.738 -0.891 0.000 1.229 285 Q HN 0.379 nan 8.270 nan 0.000 0.439 286 P HA -0.071 nan 4.420 nan 0.000 0.221 286 P C 0.180 177.063 177.300 -0.695 0.000 1.150 286 P CA 1.013 63.774 63.100 -0.565 0.000 0.800 286 P CB 0.475 31.864 31.700 -0.518 0.000 0.787 287 S N -2.228 112.915 115.700 -0.928 0.000 2.564 287 S HA 0.434 4.908 4.470 0.006 0.000 0.274 287 S C -1.150 173.072 174.600 -0.630 0.000 1.124 287 S CA -0.574 57.221 58.200 -0.676 0.000 0.869 287 S CB 0.532 63.346 63.200 -0.644 0.000 1.105 287 S HN -0.127 nan 8.310 nan 0.000 0.472 288 Y N 2.102 122.338 120.300 -0.106 0.000 2.720 288 Y HA 0.313 4.867 4.550 0.006 0.000 0.268 288 Y C 1.149 177.230 175.900 0.301 0.000 1.142 288 Y CA -0.344 57.810 58.100 0.090 0.000 1.193 288 Y CB 0.466 38.941 38.460 0.025 0.000 1.176 288 Y HN 0.711 nan 8.280 nan 0.000 0.542 289 S N -0.642 115.207 115.700 0.249 0.000 2.580 289 S HA 0.053 4.527 4.470 0.006 0.000 0.274 289 S C 1.181 175.811 174.600 0.050 0.000 1.329 289 S CA -0.651 57.690 58.200 0.235 0.000 1.036 289 S CB 1.297 64.562 63.200 0.107 0.000 0.919 289 S HN 0.403 nan 8.310 nan 0.000 0.515 290 L N 1.434 122.487 121.223 -0.283 0.000 2.042 290 L HA -0.078 4.265 4.340 0.006 0.000 0.210 290 L C 1.802 178.415 176.870 -0.428 0.000 1.076 290 L CA 2.032 56.366 54.840 -0.844 0.000 0.749 290 L CB -1.216 40.286 42.059 -0.929 0.000 0.893 290 L HN 0.825 nan 8.230 nan 0.000 0.432 291 D N -1.656 118.611 120.400 -0.222 0.000 2.092 291 D HA -0.275 4.369 4.640 0.006 0.000 0.193 291 D C 2.031 178.265 176.300 -0.111 0.000 0.994 291 D CA 1.758 55.666 54.000 -0.153 0.000 0.828 291 D CB -0.360 40.389 40.800 -0.085 0.000 0.963 291 D HN 0.482 nan 8.370 nan 0.000 0.450 292 Y N 0.609 120.835 120.300 -0.125 0.000 2.097 292 Y HA -0.224 4.330 4.550 0.006 0.000 0.282 292 Y C 2.175 178.028 175.900 -0.078 0.000 1.152 292 Y CA 1.306 59.354 58.100 -0.086 0.000 1.136 292 Y CB -0.342 38.059 38.460 -0.098 0.000 0.975 292 Y HN -0.097 nan 8.280 nan 0.000 0.498 293 I N -0.414 120.167 120.570 0.018 0.000 2.226 293 I HA -0.304 3.869 4.170 0.006 0.000 0.245 293 I C 2.622 178.680 176.117 -0.099 0.000 1.100 293 I CA 1.640 62.907 61.300 -0.055 0.000 1.374 293 I CB -0.994 36.871 38.000 -0.224 0.000 1.057 293 I HN 0.119 nan 8.210 nan 0.000 0.413 294 S N -0.432 115.135 115.700 -0.221 0.000 2.382 294 S HA -0.249 4.224 4.470 0.006 0.000 0.228 294 S C 2.052 176.564 174.600 -0.147 0.000 1.027 294 S CA 1.495 59.573 58.200 -0.204 0.000 0.991 294 S CB -0.271 62.776 63.200 -0.254 0.000 0.823 294 S HN 0.535 nan 8.310 nan 0.000 0.469 295 E N -0.288 119.811 120.200 -0.167 0.000 2.107 295 E HA -0.133 4.221 4.350 0.006 0.000 0.191 295 E C 1.810 178.320 176.600 -0.149 0.000 0.982 295 E CA 0.781 57.077 56.400 -0.173 0.000 0.809 295 E CB -0.160 29.405 29.700 -0.225 0.000 0.756 295 E HN 0.545 nan 8.360 nan 0.000 0.459 296 F N 1.605 121.386 119.950 -0.281 0.000 2.146 296 F HA -0.128 4.403 4.527 0.006 0.000 0.298 296 F C 2.064 177.827 175.800 -0.062 0.000 1.096 296 F CA 1.364 59.253 58.000 -0.185 0.000 1.275 296 F CB 0.239 39.151 39.000 -0.147 0.000 1.008 296 F HN -0.014 nan 8.300 nan 0.000 0.480 297 E N 0.005 120.239 120.200 0.056 0.000 2.190 297 E HA 0.053 4.406 4.350 0.006 0.000 0.191 297 E C 2.051 178.612 176.600 -0.066 0.000 0.978 297 E CA 0.985 57.397 56.400 0.019 0.000 0.839 297 E CB 0.037 29.836 29.700 0.164 0.000 0.787 297 E HN 0.461 nan 8.360 nan 0.000 0.473 298 L N -0.442 120.732 121.223 -0.081 0.000 2.701 298 L HA 0.212 4.555 4.340 0.006 0.000 0.238 298 L C -0.366 176.448 176.870 -0.093 0.000 1.106 298 L CA -0.088 54.704 54.840 -0.079 0.000 0.898 298 L CB -0.192 41.806 42.059 -0.101 0.000 1.188 298 L HN -0.034 nan 8.230 nan 0.000 0.508 299 N N -0.526 118.102 118.700 -0.119 0.000 2.780 299 N HA -0.152 4.592 4.740 0.006 0.000 0.248 299 N C -0.016 175.431 175.510 -0.106 0.000 1.102 299 N CA 0.701 53.681 53.050 -0.117 0.000 0.697 299 N CB -1.905 36.520 38.487 -0.104 0.000 1.028 299 N HN 0.341 nan 8.380 nan 0.000 0.554 300 V N -3.106 116.740 119.914 -0.112 0.000 3.513 300 V HA 0.888 5.011 4.120 0.006 0.000 0.297 300 V C 1.547 177.580 176.094 -0.103 0.000 1.058 300 V CA -0.187 62.051 62.300 -0.103 0.000 1.003 300 V CB 0.474 32.230 31.823 -0.112 0.000 1.236 300 V HN 0.157 nan 8.190 nan 0.000 0.436 301 G N -0.356 108.389 108.800 -0.092 0.000 2.631 301 G HA2 0.285 4.248 3.960 0.006 0.000 0.271 301 G HA3 0.285 4.248 3.960 0.006 0.000 0.271 301 G C 0.271 175.104 174.900 -0.112 0.000 1.302 301 G CA -0.449 44.598 45.100 -0.087 0.000 1.002 301 G HN 0.875 nan 8.290 nan 0.000 0.519 302 K N -0.860 119.478 120.400 -0.103 0.000 2.404 302 K HA 0.200 4.523 4.320 0.006 0.000 0.194 302 K C 0.010 176.514 176.600 -0.160 0.000 1.023 302 K CA -0.454 55.763 56.287 -0.117 0.000 1.094 302 K CB 0.153 32.599 32.500 -0.090 0.000 0.841 302 K HN 0.165 nan 8.250 nan 0.000 0.523 303 L N 1.904 123.011 121.223 -0.194 0.000 3.755 303 L HA -0.229 4.114 4.340 0.006 0.000 0.587 303 L C -0.771 175.967 176.870 -0.220 0.000 1.235 303 L CA 0.801 55.418 54.840 -0.370 0.000 0.876 303 L CB -0.760 40.979 42.059 -0.534 0.000 1.431 303 L HN 0.082 nan 8.230 nan 0.000 0.840 304 K N 2.335 122.727 120.400 -0.013 0.000 2.126 304 K HA 0.715 5.039 4.320 0.006 0.000 0.257 304 K C -0.211 176.578 176.600 0.315 0.000 1.007 304 K CA -0.141 56.163 56.287 0.029 0.000 0.928 304 K CB 1.395 33.899 32.500 0.007 0.000 1.013 304 K HN 0.470 nan 8.250 nan 0.000 0.473 305 Y N -2.457 117.965 120.300 0.204 0.000 2.750 305 Y HA 0.409 4.963 4.550 0.006 0.000 0.335 305 Y C -1.346 174.620 175.900 0.110 0.000 1.252 305 Y CA -1.611 56.594 58.100 0.175 0.000 1.064 305 Y CB 0.832 39.432 38.460 0.233 0.000 1.321 305 Y HN 0.423 nan 8.280 nan 0.000 0.451 306 D N 0.294 120.929 120.400 0.392 0.000 2.252 306 D HA 0.569 5.212 4.640 0.006 0.000 0.245 306 D C 0.337 176.822 176.300 0.309 0.000 1.009 306 D CA 1.309 55.460 54.000 0.253 0.000 0.870 306 D CB 1.813 42.698 40.800 0.143 0.000 1.251 306 D HN 1.353 nan 8.370 nan 0.000 0.460 307 G N 2.628 111.565 108.800 0.228 0.000 2.796 307 G HA2 -0.123 3.841 3.960 0.006 0.000 0.571 307 G HA3 -0.123 3.841 3.960 0.006 0.000 0.571 307 G C -2.694 172.373 174.900 0.279 0.000 1.370 307 G CA -0.843 44.373 45.100 0.194 0.000 0.856 307 G HN 0.543 nan 8.290 nan 0.000 0.538 308 P HA 0.351 nan 4.420 nan 0.000 0.278 308 P C 1.350 178.734 177.300 0.140 0.000 1.238 308 P CA -0.870 62.346 63.100 0.194 0.000 0.794 308 P CB 0.773 32.540 31.700 0.112 0.000 0.955 309 I N 2.030 122.688 120.570 0.148 0.000 2.530 309 I HA -0.207 3.967 4.170 0.006 0.000 0.257 309 I C 1.596 177.685 176.117 -0.047 0.000 1.179 309 I CA 1.990 63.267 61.300 -0.038 0.000 1.440 309 I CB -0.745 37.278 38.000 0.038 0.000 1.087 309 I HN 0.351 nan 8.210 nan 0.000 0.440 310 S N 0.267 115.948 115.700 -0.032 0.000 2.419 310 S HA -0.141 4.333 4.470 0.006 0.000 0.233 310 S C 1.700 176.243 174.600 -0.096 0.000 1.016 310 S CA 0.735 58.883 58.200 -0.086 0.000 0.974 310 S CB -0.269 62.890 63.200 -0.068 0.000 0.786 310 S HN 0.507 nan 8.310 nan 0.000 0.492 311 K N -0.047 120.319 120.400 -0.057 0.000 2.358 311 K HA 0.335 4.658 4.320 0.006 0.000 0.200 311 K C 1.363 177.912 176.600 -0.085 0.000 1.030 311 K CA -0.113 56.141 56.287 -0.054 0.000 1.097 311 K CB 0.067 32.564 32.500 -0.004 0.000 0.862 311 K HN 0.209 nan 8.250 nan 0.000 0.534 312 L N 2.172 123.320 121.223 -0.127 0.000 1.976 312 L HA -0.140 4.204 4.340 0.006 0.000 0.209 312 L C 2.402 179.146 176.870 -0.210 0.000 1.071 312 L CA 1.811 56.558 54.840 -0.154 0.000 0.746 312 L CB -0.397 41.540 42.059 -0.204 0.000 0.890 312 L HN 0.085 nan 8.230 nan 0.000 0.432 313 R N -0.131 120.054 120.500 -0.524 0.000 2.127 313 R HA -0.227 4.116 4.340 0.006 0.000 0.238 313 R C 2.069 178.228 176.300 -0.234 0.000 1.134 313 R CA 1.895 57.556 56.100 -0.731 0.000 0.975 313 R CB -0.324 29.236 30.300 -1.234 0.000 0.865 313 R HN 0.800 nan 8.270 nan 0.000 0.447 314 E N -0.274 119.828 120.200 -0.164 0.000 2.158 314 E HA -0.094 4.260 4.350 0.006 0.000 0.191 314 E C 1.638 178.221 176.600 -0.028 0.000 0.982 314 E CA 1.330 57.691 56.400 -0.066 0.000 0.823 314 E CB -0.024 29.656 29.700 -0.033 0.000 0.766 314 E HN 0.403 nan 8.360 nan 0.000 0.468 315 S N -0.086 115.598 115.700 -0.028 0.000 2.483 315 S HA 0.052 4.525 4.470 0.006 0.000 0.221 315 S C 1.083 175.691 174.600 0.013 0.000 1.030 315 S CA 0.054 58.253 58.200 -0.001 0.000 0.925 315 S CB 0.177 63.381 63.200 0.006 0.000 0.795 315 S HN 0.147 nan 8.310 nan 0.000 0.511 316 N N 0.762 119.468 118.700 0.010 0.000 2.673 316 N HA 0.145 4.888 4.740 0.006 0.000 0.265 316 N C 0.258 175.805 175.510 0.061 0.000 1.709 316 N CA -0.251 52.815 53.050 0.026 0.000 0.792 316 N CB -0.162 38.324 38.487 -0.003 0.000 1.286 316 N HN 0.444 nan 8.380 nan 0.000 0.506 317 H N 0.355 119.427 119.070 0.003 0.000 2.390 317 H HA -0.196 4.363 4.556 0.006 0.000 0.298 317 H C 1.258 176.689 175.328 0.172 0.000 1.106 317 H CA 2.087 58.173 56.048 0.064 0.000 1.297 317 H CB 0.639 30.438 29.762 0.062 0.000 1.375 317 H HN 0.416 nan 8.280 nan 0.000 0.509 318 Q N 1.331 121.202 119.800 0.118 0.000 2.077 318 Q HA -0.193 4.150 4.340 0.006 0.000 0.206 318 Q C 2.578 178.629 176.000 0.084 0.000 0.989 318 Q CA 2.252 58.132 55.803 0.128 0.000 0.853 318 Q CB -0.385 28.375 28.738 0.036 0.000 0.907 318 Q HN 0.450 nan 8.270 nan 0.000 0.418 319 R N -1.529 118.935 120.500 -0.060 0.000 2.115 319 R HA -0.135 4.209 4.340 0.006 0.000 0.226 319 R C 2.135 178.251 176.300 -0.308 0.000 1.100 319 R CA 1.053 56.983 56.100 -0.284 0.000 0.980 319 R CB -0.491 29.566 30.300 -0.406 0.000 0.875 319 R HN 0.415 nan 8.270 nan 0.000 0.445 320 Y N 1.010 121.145 120.300 -0.276 0.000 2.081 320 Y HA -0.270 4.284 4.550 0.006 0.000 0.280 320 Y C 1.847 177.643 175.900 -0.173 0.000 1.163 320 Y CA 1.849 59.826 58.100 -0.204 0.000 1.135 320 Y CB -0.123 38.239 38.460 -0.164 0.000 0.970 320 Y HN 0.015 nan 8.280 nan 0.000 0.498 321 I N -0.867 119.597 120.570 -0.177 0.000 2.252 321 I HA -0.264 3.910 4.170 0.006 0.000 0.245 321 I C 2.488 178.405 176.117 -0.334 0.000 1.102 321 I CA 1.538 62.624 61.300 -0.357 0.000 1.385 321 I CB -1.567 36.074 38.000 -0.598 0.000 1.064 321 I HN 0.198 nan 8.210 nan 0.000 0.414 322 S N -0.126 115.494 115.700 -0.133 0.000 2.370 322 S HA -0.176 4.297 4.470 0.006 0.000 0.226 322 S C 2.049 176.734 174.600 0.143 0.000 1.033 322 S CA 1.147 59.385 58.200 0.064 0.000 1.011 322 S CB -0.378 62.961 63.200 0.232 0.000 0.852 322 S HN 0.420 nan 8.310 nan 0.000 0.457 323 Y N 1.581 121.841 120.300 -0.067 0.000 2.293 323 Y HA -0.107 4.447 4.550 0.006 0.000 0.291 323 Y C 2.764 178.595 175.900 -0.116 0.000 1.137 323 Y CA 0.559 58.618 58.100 -0.068 0.000 1.202 323 Y CB -0.147 38.281 38.460 -0.053 0.000 0.990 323 Y HN 0.382 nan 8.280 nan 0.000 0.537 324 N N 1.070 119.751 118.700 -0.033 0.000 2.216 324 N HA -0.153 4.591 4.740 0.006 0.000 0.183 324 N C 1.655 177.159 175.510 -0.010 0.000 1.017 324 N CA 0.938 53.937 53.050 -0.086 0.000 0.861 324 N CB -0.089 38.285 38.487 -0.188 0.000 0.986 324 N HN 0.334 nan 8.380 nan 0.000 0.428 325 I N 0.986 121.532 120.570 -0.040 0.000 2.252 325 I HA -0.218 3.955 4.170 0.006 0.000 0.245 325 I C 2.195 178.332 176.117 0.033 0.000 1.102 325 I CA 0.795 62.084 61.300 -0.018 0.000 1.385 325 I CB -0.169 37.729 38.000 -0.170 0.000 1.064 325 I HN 0.106 nan 8.210 nan 0.000 0.414 326 I N 0.895 121.488 120.570 0.038 0.000 2.286 326 I HA -0.276 3.897 4.170 0.006 0.000 0.248 326 I C 2.825 178.984 176.117 0.070 0.000 1.115 326 I CA 1.247 62.594 61.300 0.078 0.000 1.392 326 I CB -0.463 37.577 38.000 0.065 0.000 1.065 326 I HN 0.184 nan 8.210 nan 0.000 0.418 327 A N 0.461 123.289 122.820 0.013 0.000 1.908 327 A HA -0.163 4.160 4.320 0.006 0.000 0.218 327 A C 2.429 180.025 177.584 0.020 0.000 1.181 327 A CA 1.768 53.782 52.037 -0.038 0.000 0.627 327 A CB -0.980 17.988 19.000 -0.053 0.000 0.818 327 A HN 0.240 nan 8.150 nan 0.000 0.445 328 V N -1.419 118.569 119.914 0.122 0.000 2.407 328 V HA -0.248 3.875 4.120 0.006 0.000 0.248 328 V C 2.358 178.602 176.094 0.250 0.000 1.055 328 V CA 2.070 64.492 62.300 0.203 0.000 1.049 328 V CB -0.908 31.114 31.823 0.331 0.000 0.662 328 V HN 0.723 nan 8.190 nan 0.000 0.455 329 Y N 1.279 121.663 120.300 0.140 0.000 2.263 329 Y HA -0.135 4.419 4.550 0.006 0.000 0.292 329 Y C 2.576 178.460 175.900 -0.026 0.000 1.130 329 Y CA 1.497 59.663 58.100 0.110 0.000 1.179 329 Y CB -0.341 38.142 38.460 0.039 0.000 0.998 329 Y HN 0.099 nan 8.280 nan 0.000 0.532 330 R N -0.597 119.825 120.500 -0.130 0.000 2.105 330 R HA -0.145 4.198 4.340 0.006 0.000 0.239 330 R C 2.249 178.362 176.300 -0.311 0.000 1.135 330 R CA 1.692 57.615 56.100 -0.294 0.000 0.967 330 R CB -0.662 29.490 30.300 -0.246 0.000 0.861 330 R HN 0.268 nan 8.270 nan 0.000 0.442 331 V N 0.425 120.197 119.914 -0.237 0.000 2.427 331 V HA -0.211 3.912 4.120 0.006 0.000 0.248 331 V C 1.993 177.892 176.094 -0.325 0.000 1.051 331 V CA 1.250 63.383 62.300 -0.278 0.000 1.048 331 V CB -0.418 31.324 31.823 -0.135 0.000 0.666 331 V HN 0.223 nan 8.190 nan 0.000 0.456 332 L N -0.073 121.005 121.223 -0.242 0.000 2.046 332 L HA -0.187 4.157 4.340 0.006 0.000 0.208 332 L C 2.566 179.275 176.870 -0.268 0.000 1.077 332 L CA 1.826 56.528 54.840 -0.229 0.000 0.747 332 L CB -1.431 40.517 42.059 -0.185 0.000 0.896 332 L HN 0.456 nan 8.230 nan 0.000 0.432 333 Q N -0.853 118.709 119.800 -0.396 0.000 2.050 333 Q HA -0.171 4.172 4.340 0.006 0.000 0.202 333 Q C 2.332 178.201 176.000 -0.218 0.000 0.980 333 Q CA 1.341 56.935 55.803 -0.348 0.000 0.840 333 Q CB -0.114 28.343 28.738 -0.467 0.000 0.898 333 Q HN 0.463 nan 8.270 nan 0.000 0.424 334 I N 1.002 121.437 120.570 -0.225 0.000 2.226 334 I HA -0.266 3.907 4.170 0.006 0.000 0.245 334 I C 2.011 178.056 176.117 -0.119 0.000 1.100 334 I CA 1.385 62.606 61.300 -0.132 0.000 1.374 334 I CB -0.241 37.695 38.000 -0.106 0.000 1.057 334 I HN 0.208 nan 8.210 nan 0.000 0.413 335 D N 0.831 121.110 120.400 -0.202 0.000 2.224 335 D HA -0.093 4.551 4.640 0.006 0.000 0.205 335 D C 2.087 178.345 176.300 -0.070 0.000 0.965 335 D CA 1.091 55.040 54.000 -0.084 0.000 0.852 335 D CB 0.155 40.910 40.800 -0.076 0.000 0.947 335 D HN 0.281 nan 8.370 nan 0.000 0.494 336 A N 0.098 122.861 122.820 -0.095 0.000 2.067 336 A HA -0.106 4.218 4.320 0.006 0.000 0.219 336 A C 2.077 179.610 177.584 -0.085 0.000 1.158 336 A CA 1.171 53.167 52.037 -0.069 0.000 0.661 336 A CB -0.400 18.565 19.000 -0.058 0.000 0.801 336 A HN 0.205 nan 8.150 nan 0.000 0.452 337 K N -1.146 119.191 120.400 -0.104 0.000 2.121 337 K HA 0.006 4.329 4.320 0.006 0.000 0.203 337 K C 2.027 178.531 176.600 -0.160 0.000 1.041 337 K CA 0.258 56.473 56.287 -0.119 0.000 0.969 337 K CB -0.077 32.367 32.500 -0.094 0.000 0.799 337 K HN 0.179 nan 8.250 nan 0.000 0.456 338 R N 0.925 121.288 120.500 -0.230 0.000 2.119 338 R HA 0.026 4.369 4.340 0.006 0.000 0.222 338 R C 0.284 176.295 176.300 -0.481 0.000 1.088 338 R CA 0.641 56.455 56.100 -0.477 0.000 0.984 338 R CB -0.247 29.476 30.300 -0.961 0.000 0.884 338 R HN 0.412 nan 8.270 nan 0.000 0.447 339 Q N -0.281 119.357 119.800 -0.270 0.000 2.478 339 Q HA -0.178 4.165 4.340 0.006 0.000 0.286 339 Q C 0.079 176.100 176.000 0.035 0.000 1.299 339 Q CA 0.649 56.396 55.803 -0.093 0.000 0.826 339 Q CB -2.084 26.601 28.738 -0.088 0.000 1.199 339 Q HN 0.213 nan 8.270 nan 0.000 0.451 340 F N -0.234 119.815 119.950 0.164 0.000 2.325 340 F HA -0.053 4.478 4.527 0.006 0.000 0.299 340 F C 2.304 178.133 175.800 0.048 0.000 1.090 340 F CA 0.192 58.242 58.000 0.083 0.000 1.392 340 F CB -0.174 38.882 39.000 0.094 0.000 1.053 340 F HN 0.235 nan 8.300 nan 0.000 0.521 341 I N 0.093 120.839 120.570 0.294 0.000 2.163 341 I HA -0.288 3.885 4.170 0.006 0.000 0.240 341 I C 2.284 178.456 176.117 0.091 0.000 1.081 341 I CA 1.409 62.822 61.300 0.189 0.000 1.353 341 I CB -1.435 36.690 38.000 0.208 0.000 1.054 341 I HN 0.168 nan 8.210 nan 0.000 0.407 342 N N 1.540 120.282 118.700 0.071 0.000 2.061 342 N HA -0.217 4.527 4.740 0.006 0.000 0.193 342 N C 2.032 177.548 175.510 0.010 0.000 1.030 342 N CA 1.352 54.426 53.050 0.039 0.000 0.856 342 N CB -0.280 38.204 38.487 -0.005 0.000 1.023 342 N HN 0.276 nan 8.380 nan 0.000 0.424 343 L N -0.018 121.185 121.223 -0.033 0.000 1.989 343 L HA -0.208 4.135 4.340 0.006 0.000 0.211 343 L C 2.008 178.771 176.870 -0.177 0.000 1.071 343 L CA 1.738 56.491 54.840 -0.145 0.000 0.749 343 L CB -0.752 41.162 42.059 -0.242 0.000 0.890 343 L HN 0.288 nan 8.230 nan 0.000 0.431 344 S N 0.171 115.787 115.700 -0.140 0.000 2.359 344 S HA -0.227 4.247 4.470 0.006 0.000 0.223 344 S C 1.895 176.386 174.600 -0.182 0.000 1.039 344 S CA 1.586 59.693 58.200 -0.155 0.000 1.042 344 S CB -0.414 62.727 63.200 -0.098 0.000 0.915 344 S HN 0.375 nan 8.310 nan 0.000 0.439 345 L N 1.055 122.188 121.223 -0.149 0.000 2.012 345 L HA -0.188 4.155 4.340 0.006 0.000 0.210 345 L C 2.265 178.996 176.870 -0.232 0.000 1.073 345 L CA 1.361 56.036 54.840 -0.276 0.000 0.748 345 L CB -0.817 41.160 42.059 -0.137 0.000 0.891 345 L HN 0.206 nan 8.230 nan 0.000 0.431 346 D N -0.146 120.239 120.400 -0.026 0.000 2.106 346 D HA -0.223 4.420 4.640 0.006 0.000 0.191 346 D C 2.342 178.641 176.300 -0.002 0.000 0.997 346 D CA 1.498 55.540 54.000 0.071 0.000 0.834 346 D CB -0.106 40.718 40.800 0.041 0.000 0.956 346 D HN 0.192 nan 8.370 nan 0.000 0.448 347 M N -0.159 119.380 119.600 -0.102 0.000 2.117 347 M HA -0.064 4.419 4.480 0.006 0.000 0.262 347 M C 2.295 178.551 176.300 -0.074 0.000 1.065 347 M CA 1.630 56.864 55.300 -0.109 0.000 1.114 347 M CB -0.505 31.990 32.600 -0.175 0.000 1.361 347 M HN 0.101 nan 8.290 nan 0.000 0.408 348 G N -0.557 108.134 108.800 -0.183 0.000 2.459 348 G HA2 -0.245 3.718 3.960 0.006 0.000 0.217 348 G HA3 -0.245 3.718 3.960 0.006 0.000 0.217 348 G C 1.037 175.820 174.900 -0.195 0.000 1.183 348 G CA 0.863 45.812 45.100 -0.251 0.000 0.776 348 G HN 0.365 nan 8.290 nan 0.000 0.552 349 Y N -0.882 119.343 120.300 -0.126 0.000 2.439 349 Y HA 0.034 4.588 4.550 0.006 0.000 0.292 349 Y C 2.323 178.236 175.900 0.022 0.000 1.130 349 Y CA 0.208 58.235 58.100 -0.122 0.000 1.254 349 Y CB -0.611 37.638 38.460 -0.351 0.000 1.000 349 Y HN 0.358 nan 8.280 nan 0.000 0.554 350 Y N -0.093 120.240 120.300 0.055 0.000 2.263 350 Y HA -0.070 4.483 4.550 0.006 0.000 0.292 350 Y C 2.283 178.180 175.900 -0.006 0.000 1.130 350 Y CA 1.338 59.453 58.100 0.025 0.000 1.179 350 Y CB -0.205 38.241 38.460 -0.023 0.000 0.998 350 Y HN -0.003 nan 8.280 nan 0.000 0.532 351 A N -0.447 122.418 122.820 0.075 0.000 2.169 351 A HA 0.173 4.497 4.320 0.006 0.000 0.210 351 A C 0.766 178.354 177.584 0.006 0.000 1.168 351 A CA 0.367 52.396 52.037 -0.014 0.000 0.813 351 A CB -0.171 18.833 19.000 0.007 0.000 0.861 351 A HN 0.368 nan 8.150 nan 0.000 0.481 352 K N -0.308 120.134 120.400 0.071 0.000 3.239 352 K HA -0.138 4.186 4.320 0.006 0.000 0.270 352 K C -0.302 176.312 176.600 0.025 0.000 1.083 352 K CA 0.921 57.268 56.287 0.100 0.000 0.782 352 K CB -2.194 30.323 32.500 0.028 0.000 1.290 352 K HN 0.823 nan 8.250 nan 0.000 0.474 353 I N -3.611 116.984 120.570 0.043 0.000 3.206 353 I HA 0.348 4.522 4.170 0.006 0.000 0.313 353 I C -0.012 176.107 176.117 0.004 0.000 1.103 353 I CA -1.468 59.835 61.300 0.004 0.000 0.985 353 I CB 1.424 39.434 38.000 0.015 0.000 1.240 353 I HN -0.012 nan 8.210 nan 0.000 0.464 354 Q N 1.326 121.123 119.800 -0.004 0.000 2.364 354 Q HA 0.200 4.543 4.340 0.006 0.000 0.267 354 Q C 0.910 176.906 176.000 -0.008 0.000 0.999 354 Q CA -0.516 55.299 55.803 0.019 0.000 0.886 354 Q CB 1.454 30.197 28.738 0.007 0.000 1.243 354 Q HN 0.512 nan 8.270 nan 0.000 0.415 355 I N 2.145 122.699 120.570 -0.026 0.000 2.194 355 I HA -0.324 3.850 4.170 0.006 0.000 0.246 355 I C 2.374 178.445 176.117 -0.075 0.000 1.093 355 I CA 1.591 62.826 61.300 -0.107 0.000 1.355 355 I CB -1.358 36.563 38.000 -0.131 0.000 1.046 355 I HN 0.776 nan 8.210 nan 0.000 0.413 356 Q N 0.382 120.178 119.800 -0.006 0.000 2.508 356 Q HA -0.096 4.248 4.340 0.006 0.000 0.214 356 Q C 1.664 177.718 176.000 0.090 0.000 0.979 356 Q CA 1.195 57.038 55.803 0.067 0.000 0.911 356 Q CB -0.706 28.089 28.738 0.095 0.000 0.969 356 Q HN 0.346 nan 8.270 nan 0.000 0.504 357 S N 1.149 116.858 115.700 0.015 0.000 2.562 357 S HA -0.006 4.467 4.470 0.006 0.000 0.221 357 S C 1.833 176.426 174.600 -0.012 0.000 0.975 357 S CA 0.634 58.849 58.200 0.026 0.000 0.918 357 S CB -0.053 63.155 63.200 0.014 0.000 0.772 357 S HN 0.502 nan 8.310 nan 0.000 0.531 358 V N -1.318 118.527 119.914 -0.114 0.000 3.026 358 V HA -0.060 4.064 4.120 0.006 0.000 0.265 358 V C 1.511 177.524 176.094 -0.136 0.000 1.121 358 V CA 1.432 63.647 62.300 -0.142 0.000 1.142 358 V CB -1.304 30.403 31.823 -0.193 0.000 0.730 358 V HN 0.368 nan 8.190 nan 0.000 0.503 359 F N 1.268 121.201 119.950 -0.028 0.000 2.502 359 F HA 0.229 4.759 4.527 0.006 0.000 0.298 359 F C 1.765 177.521 175.800 -0.074 0.000 1.111 359 F CA 1.061 58.996 58.000 -0.108 0.000 1.445 359 F CB -0.188 38.718 39.000 -0.157 0.000 1.081 359 F HN 0.253 nan 8.300 nan 0.000 0.558 360 S N 0.550 116.320 115.700 0.117 0.000 2.532 360 S HA 0.298 4.771 4.470 0.006 0.000 0.318 360 S C -1.800 172.854 174.600 0.091 0.000 1.083 360 S CA -1.700 56.551 58.200 0.084 0.000 1.131 360 S CB 0.766 64.007 63.200 0.068 0.000 0.973 360 S HN -0.185 nan 8.310 nan 0.000 0.468 361 P HA -0.072 nan 4.420 nan 0.000 0.215 361 P C 1.331 178.774 177.300 0.238 0.000 1.153 361 P CA 1.008 64.218 63.100 0.184 0.000 0.853 361 P CB 0.100 31.908 31.700 0.180 0.000 0.788 362 I N -1.068 119.593 120.570 0.151 0.000 2.226 362 I HA -0.230 3.944 4.170 0.006 0.000 0.245 362 I C 2.400 178.701 176.117 0.305 0.000 1.100 362 I CA 1.368 62.783 61.300 0.191 0.000 1.374 362 I CB -0.390 37.718 38.000 0.178 0.000 1.057 362 I HN -0.072 nan 8.210 nan 0.000 0.413 363 K N 0.615 121.134 120.400 0.199 0.000 2.007 363 K HA -0.098 4.226 4.320 0.006 0.000 0.206 363 K C 2.119 178.824 176.600 0.174 0.000 1.047 363 K CA 1.674 58.065 56.287 0.173 0.000 0.937 363 K CB -0.558 32.000 32.500 0.096 0.000 0.718 363 K HN 0.238 nan 8.250 nan 0.000 0.438 364 T N 0.097 114.715 114.554 0.106 0.000 2.597 364 T HA -0.208 4.145 4.350 0.006 0.000 0.267 364 T C 1.760 176.462 174.700 0.005 0.000 1.053 364 T CA 2.037 64.132 62.100 -0.008 0.000 1.165 364 T CB -0.475 68.309 68.868 -0.140 0.000 0.863 364 T HN 0.401 nan 8.240 nan 0.000 0.427 365 W N 1.124 122.548 121.300 0.205 0.000 2.402 365 W HA -0.002 4.661 4.660 0.006 0.000 0.286 365 W C 2.355 179.097 176.519 0.372 0.000 1.221 365 W CA 0.499 58.008 57.345 0.274 0.000 1.257 365 W CB -0.386 29.236 29.460 0.269 0.000 1.120 365 W HN 0.287 nan 8.180 nan 0.000 0.551 366 D N 0.079 120.855 120.400 0.626 0.000 2.104 366 D HA -0.202 4.442 4.640 0.006 0.000 0.194 366 D C 2.207 178.759 176.300 0.420 0.000 0.994 366 D CA 2.116 56.430 54.000 0.524 0.000 0.830 366 D CB -0.428 40.605 40.800 0.389 0.000 0.959 366 D HN 0.008 nan 8.370 nan 0.000 0.452 367 A N 0.056 123.072 122.820 0.326 0.000 1.898 367 A HA -0.093 4.231 4.320 0.006 0.000 0.216 367 A C 2.496 180.213 177.584 0.221 0.000 1.181 367 A CA 1.161 53.377 52.037 0.299 0.000 0.620 367 A CB -0.754 18.355 19.000 0.183 0.000 0.819 367 A HN 0.347 nan 8.150 nan 0.000 0.442 368 I N -0.260 120.409 120.570 0.166 0.000 2.099 368 I HA -0.284 3.890 4.170 0.006 0.000 0.239 368 I C 2.354 178.573 176.117 0.171 0.000 1.066 368 I CA 1.596 62.954 61.300 0.097 0.000 1.324 368 I CB -0.387 37.651 38.000 0.063 0.000 1.037 368 I HN 0.297 nan 8.210 nan 0.000 0.401 369 I N 0.231 120.982 120.570 0.302 0.000 2.208 369 I HA -0.347 3.826 4.170 0.006 0.000 0.245 369 I C 2.530 178.793 176.117 0.244 0.000 1.097 369 I CA 1.692 63.133 61.300 0.235 0.000 1.363 369 I CB -0.407 37.707 38.000 0.189 0.000 1.051 369 I HN 0.240 nan 8.210 nan 0.000 0.413 370 F N 2.072 122.117 119.950 0.158 0.000 2.026 370 F HA -0.310 4.220 4.527 0.006 0.000 0.296 370 F C 2.546 178.398 175.800 0.087 0.000 1.133 370 F CA 1.675 59.755 58.000 0.132 0.000 1.188 370 F CB -0.324 38.757 39.000 0.135 0.000 0.968 370 F HN 0.063 nan 8.300 nan 0.000 0.476 371 N N 0.391 118.864 118.700 -0.377 0.000 2.091 371 N HA -0.259 4.484 4.740 0.006 0.000 0.193 371 N C 2.046 177.418 175.510 -0.230 0.000 1.021 371 N CA 1.720 54.479 53.050 -0.486 0.000 0.862 371 N CB -0.707 37.598 38.487 -0.302 0.000 1.018 371 N HN 0.366 nan 8.380 nan 0.000 0.429 372 S N 0.243 115.889 115.700 -0.089 0.000 2.399 372 S HA -0.039 4.434 4.470 0.006 0.000 0.231 372 S C 1.816 176.408 174.600 -0.013 0.000 1.022 372 S CA 0.517 58.697 58.200 -0.034 0.000 0.983 372 S CB 0.014 63.224 63.200 0.016 0.000 0.803 372 S HN 0.080 nan 8.310 nan 0.000 0.480 373 L N 1.676 122.912 121.223 0.021 0.000 2.131 373 L HA 0.224 4.567 4.340 0.006 0.000 0.206 373 L C 2.354 179.257 176.870 0.055 0.000 1.087 373 L CA 1.511 56.387 54.840 0.060 0.000 0.767 373 L CB -1.003 41.138 42.059 0.138 0.000 0.917 373 L HN 0.262 nan 8.230 nan 0.000 0.441 374 K N -0.432 119.971 120.400 0.004 0.000 2.074 374 K HA -0.207 4.117 4.320 0.006 0.000 0.209 374 K C 1.904 178.519 176.600 0.024 0.000 1.048 374 K CA 1.263 57.559 56.287 0.015 0.000 0.926 374 K CB 0.138 32.543 32.500 -0.159 0.000 0.713 374 K HN 0.184 nan 8.250 nan 0.000 0.444 375 E N 0.672 120.862 120.200 -0.017 0.000 2.160 375 E HA -0.202 4.152 4.350 0.006 0.000 0.195 375 E C 1.350 177.961 176.600 0.018 0.000 0.991 375 E CA 1.347 57.746 56.400 -0.001 0.000 0.810 375 E CB -0.036 29.655 29.700 -0.015 0.000 0.742 375 E HN 0.472 nan 8.360 nan 0.000 0.466 376 Q N 0.319 120.133 119.800 0.025 0.000 2.222 376 Q HA 0.116 4.459 4.340 0.006 0.000 0.206 376 Q C -0.324 175.708 176.000 0.052 0.000 0.877 376 Q CA -0.298 55.521 55.803 0.027 0.000 0.958 376 Q CB 0.289 29.038 28.738 0.018 0.000 1.075 376 Q HN 0.100 nan 8.270 nan 0.000 0.483 377 N N 1.637 120.381 118.700 0.073 0.000 2.735 377 N HA -0.159 4.584 4.740 0.006 0.000 0.248 377 N C -1.054 174.552 175.510 0.161 0.000 1.083 377 N CA 1.158 54.276 53.050 0.114 0.000 0.703 377 N CB -0.587 37.915 38.487 0.026 0.000 1.005 377 N HN 0.371 nan 8.380 nan 0.000 0.550 378 K N -0.157 120.320 120.400 0.128 0.000 2.123 378 K HA 0.606 4.929 4.320 0.006 0.000 0.248 378 K C 0.134 176.756 176.600 0.037 0.000 0.969 378 K CA -0.726 55.628 56.287 0.112 0.000 0.882 378 K CB 1.884 34.435 32.500 0.085 0.000 1.080 378 K HN -0.171 nan 8.250 nan 0.000 0.441 379 V N 3.598 123.492 119.914 -0.032 0.000 2.398 379 V HA 0.301 4.424 4.120 0.006 0.000 0.286 379 V C 0.301 176.392 176.094 -0.005 0.000 1.026 379 V CA -0.975 61.209 62.300 -0.194 0.000 0.868 379 V CB 1.006 32.591 31.823 -0.396 0.000 0.982 379 V HN 0.658 nan 8.190 nan 0.000 0.443 380 I N 3.418 124.008 120.570 0.033 0.000 2.720 380 I HA 0.507 4.681 4.170 0.006 0.000 0.287 380 I C -2.383 173.772 176.117 0.065 0.000 1.090 380 I CA -1.969 59.395 61.300 0.107 0.000 1.384 380 I CB 0.644 38.721 38.000 0.128 0.000 1.420 380 I HN 0.351 nan 8.210 nan 0.000 0.575 381 P HA 0.074 nan 4.420 nan 0.000 0.273 381 P C -1.266 176.003 177.300 -0.053 0.000 1.250 381 P CA -0.307 62.818 63.100 0.041 0.000 0.793 381 P CB 0.436 32.170 31.700 0.057 0.000 1.011 382 Q N 0.521 120.299 119.800 -0.036 0.000 2.259 382 Q HA 0.452 4.796 4.340 0.006 0.000 0.249 382 Q C 0.064 176.007 176.000 -0.096 0.000 0.914 382 Q CA -0.759 55.006 55.803 -0.063 0.000 0.904 382 Q CB 0.473 29.179 28.738 -0.053 0.000 1.213 382 Q HN 0.585 nan 8.270 nan 0.000 0.428 383 G N 3.372 112.111 108.800 -0.101 0.000 2.398 383 G HA2 0.240 4.203 3.960 0.006 0.000 0.246 383 G HA3 0.240 4.203 3.960 0.006 0.000 0.246 383 G C -0.651 174.191 174.900 -0.098 0.000 1.289 383 G CA -0.354 44.691 45.100 -0.091 0.000 0.869 383 G HN 0.651 nan 8.290 nan 0.000 0.543 384 R N 0.445 120.876 120.500 -0.116 0.000 2.873 384 R HA 0.589 4.933 4.340 0.006 0.000 0.264 384 R C 0.116 176.139 176.300 -0.462 0.000 1.026 384 R CA -0.708 55.236 56.100 -0.260 0.000 1.002 384 R CB 1.828 31.962 30.300 -0.277 0.000 1.174 384 R HN 0.656 nan 8.270 nan 0.000 0.488 385 S N 0.035 115.399 115.700 -0.559 0.000 2.616 385 S HA 0.510 4.983 4.470 0.006 0.000 0.277 385 S C -0.663 173.433 174.600 -0.841 0.000 1.234 385 S CA -0.704 57.143 58.200 -0.588 0.000 1.028 385 S CB 0.970 63.950 63.200 -0.368 0.000 0.988 385 S HN 0.654 nan 8.310 nan 0.000 0.522 386 H N 0.003 118.859 119.070 -0.358 0.000 3.046 386 H HA 0.595 5.154 4.556 0.006 0.000 0.361 386 H C -2.722 172.436 175.328 -0.284 0.000 1.235 386 H CA -1.274 54.609 56.048 -0.275 0.000 1.146 386 H CB 1.474 31.046 29.762 -0.317 0.000 1.859 386 H HN 0.596 nan 8.280 nan 0.000 0.548 387 P HA 0.181 nan 4.420 nan 0.000 0.288 387 P C -0.403 176.873 177.300 -0.041 0.000 1.267 387 P CA -0.561 62.509 63.100 -0.049 0.000 0.815 387 P CB 1.474 33.168 31.700 -0.010 0.000 0.989 388 V N 3.284 123.170 119.914 -0.048 0.000 2.763 388 V HA 0.040 4.163 4.120 0.006 0.000 0.306 388 V C 0.640 176.767 176.094 0.055 0.000 1.059 388 V CA 0.497 62.791 62.300 -0.011 0.000 1.138 388 V CB -0.267 31.560 31.823 0.006 0.000 0.940 388 V HN 0.593 nan 8.190 nan 0.000 0.489 389 Q N 3.785 123.656 119.800 0.117 0.000 2.284 389 Q HA 0.430 4.774 4.340 0.006 0.000 0.269 389 Q C -2.724 173.396 176.000 0.199 0.000 1.026 389 Q CA -1.607 54.281 55.803 0.141 0.000 0.831 389 Q CB 2.387 31.214 28.738 0.148 0.000 1.322 389 Q HN 0.551 nan 8.270 nan 0.000 0.419 390 P HA 0.168 nan 4.420 nan 0.000 0.274 390 P C -1.592 175.842 177.300 0.223 0.000 1.231 390 P CA -0.112 63.067 63.100 0.131 0.000 0.790 390 P CB 0.270 32.009 31.700 0.065 0.000 0.951 391 Y N -0.535 119.805 120.300 0.067 0.000 2.544 391 Y HA 0.645 5.198 4.550 0.006 0.000 0.342 391 Y C -2.776 173.171 175.900 0.079 0.000 1.062 391 Y CA -2.785 55.353 58.100 0.063 0.000 1.023 391 Y CB -0.185 38.309 38.460 0.056 0.000 1.308 391 Y HN 0.258 nan 8.280 nan 0.000 0.457 392 P HA 0.402 nan 4.420 nan 0.000 0.269 392 P C -0.263 177.107 177.300 0.117 0.000 1.215 392 P CA 0.254 63.417 63.100 0.106 0.000 0.780 392 P CB 1.612 33.393 31.700 0.135 0.000 0.898 393 G N 0.067 108.915 108.800 0.080 0.000 3.356 393 G HA2 0.596 4.559 3.960 0.006 0.000 0.178 393 G HA3 0.596 4.559 3.960 0.006 0.000 0.178 393 G C -0.530 174.475 174.900 0.174 0.000 1.175 393 G CA -0.082 45.101 45.100 0.138 0.000 0.840 393 G HN 0.753 nan 8.290 nan 0.000 0.658 394 A N -0.854 122.083 122.820 0.193 0.000 2.296 394 A HA 0.605 4.928 4.320 0.006 0.000 0.264 394 A C -0.887 176.821 177.584 0.205 0.000 1.097 394 A CA -0.207 51.959 52.037 0.213 0.000 0.811 394 A CB 0.345 19.460 19.000 0.192 0.000 1.072 394 A HN 0.880 nan 8.150 nan 0.000 0.495 395 F N 0.375 120.371 119.950 0.076 0.000 2.458 395 F HA 0.628 5.159 4.527 0.006 0.000 0.330 395 F C -0.717 175.100 175.800 0.028 0.000 1.082 395 F CA -0.786 57.246 58.000 0.053 0.000 0.995 395 F CB 1.774 40.805 39.000 0.051 0.000 1.170 395 F HN 0.288 nan 8.300 nan 0.000 0.478 396 V N 5.749 124.968 119.914 -1.158 0.000 2.569 396 V HA 0.279 4.403 4.120 0.006 0.000 0.301 396 V C -0.573 174.830 176.094 -1.152 0.000 1.044 396 V CA -1.218 60.557 62.300 -0.874 0.000 0.874 396 V CB 1.665 33.283 31.823 -0.341 0.000 1.002 396 V HN 0.773 nan 8.190 nan 0.000 0.424 397 K N 2.913 122.824 120.400 -0.814 0.000 2.322 397 K HA 0.252 4.575 4.320 0.006 0.000 0.283 397 K C 0.032 176.563 176.600 -0.115 0.000 1.042 397 K CA -0.319 55.760 56.287 -0.347 0.000 0.958 397 K CB 0.838 33.279 32.500 -0.098 0.000 0.984 397 K HN 0.752 nan 8.250 nan 0.000 0.473 398 E N 6.292 126.483 120.200 -0.014 0.000 2.217 398 E HA 0.117 4.471 4.350 0.006 0.000 0.279 398 E C -2.199 174.449 176.600 0.080 0.000 1.068 398 E CA -1.734 54.703 56.400 0.062 0.000 0.882 398 E CB 0.650 30.385 29.700 0.058 0.000 1.039 398 E HN 0.334 nan 8.360 nan 0.000 0.418 399 P HA 0.240 nan 4.420 nan 0.000 0.282 399 P C -0.552 176.776 177.300 0.047 0.000 1.259 399 P CA -0.406 62.695 63.100 0.002 0.000 0.826 399 P CB 0.939 32.541 31.700 -0.163 0.000 1.064 400 I N 2.452 123.055 120.570 0.054 0.000 2.312 400 I HA 0.209 4.383 4.170 0.006 0.000 0.291 400 I C -2.054 174.181 176.117 0.196 0.000 1.031 400 I CA -2.428 58.942 61.300 0.117 0.000 1.293 400 I CB 0.767 38.839 38.000 0.120 0.000 1.403 400 I HN 0.107 nan 8.210 nan 0.000 0.484 401 P HA 0.133 nan 4.420 nan 0.000 0.262 401 P C -0.688 176.706 177.300 0.156 0.000 1.199 401 P CA 0.280 63.507 63.100 0.211 0.000 0.763 401 P CB 0.357 32.149 31.700 0.155 0.000 0.790 402 N N 0.485 119.295 118.700 0.183 0.000 3.514 402 N HA 0.169 4.913 4.740 0.006 0.000 0.268 402 N C -1.313 174.138 175.510 -0.097 0.000 1.391 402 N CA -0.897 52.124 53.050 -0.049 0.000 0.821 402 N CB 0.754 39.092 38.487 -0.248 0.000 1.563 402 N HN 0.237 nan 8.380 nan 0.000 0.426 403 R N -0.075 120.264 120.500 -0.269 0.000 2.553 403 R HA 0.552 4.895 4.340 0.006 0.000 0.263 403 R C -1.398 174.587 176.300 -0.525 0.000 1.066 403 R CA -0.263 55.770 56.100 -0.113 0.000 1.135 403 R CB 0.759 31.041 30.300 -0.031 0.000 1.148 403 R HN 0.507 nan 8.270 nan 0.000 0.558 404 Y N 0.197 120.649 120.300 0.252 0.000 2.294 404 Y HA 0.248 4.801 4.550 0.005 0.000 0.329 404 Y C 0.340 176.363 175.900 0.205 0.000 1.135 404 Y CA -0.939 57.300 58.100 0.232 0.000 1.213 404 Y CB 1.958 40.595 38.460 0.294 0.000 1.141 404 Y HN 0.633 nan 8.280 nan 0.000 0.446 405 K N 1.391 121.951 120.400 0.267 0.000 1.971 405 K HA -0.127 4.196 4.320 0.006 0.000 0.221 405 K C -0.451 176.168 176.600 0.032 0.000 1.050 405 K CA 1.643 58.019 56.287 0.148 0.000 0.967 405 K CB -0.136 32.521 32.500 0.262 0.000 0.733 405 K HN 0.368 nan 8.250 nan 0.000 0.445 406 Y N -0.147 120.242 120.300 0.149 0.000 2.360 406 Y HA 0.413 4.966 4.550 0.005 0.000 0.337 406 Y C -0.147 175.904 175.900 0.252 0.000 1.039 406 Y CA -0.977 57.214 58.100 0.151 0.000 1.109 406 Y CB 1.642 40.108 38.460 0.010 0.000 1.201 406 Y HN -0.228 nan 8.280 nan 0.000 0.458 407 V N 4.537 124.693 119.914 0.403 0.000 2.888 407 V HA 0.491 4.614 4.120 0.006 0.000 0.309 407 V C -0.834 175.463 176.094 0.338 0.000 1.114 407 V CA -1.058 61.469 62.300 0.379 0.000 0.940 407 V CB 2.375 34.455 31.823 0.428 0.000 1.021 407 V HN 0.835 nan 8.190 nan 0.000 0.426 408 M N 3.681 123.449 119.600 0.280 0.000 2.393 408 M HA 0.717 5.200 4.480 0.006 0.000 0.299 408 M C -0.633 175.672 176.300 0.007 0.000 1.103 408 M CA -0.170 55.212 55.300 0.138 0.000 0.910 408 M CB 2.267 34.967 32.600 0.166 0.000 1.659 408 M HN 0.833 nan 8.290 nan 0.000 0.445 409 S N 2.755 118.300 115.700 -0.259 0.000 2.568 409 S HA 0.865 5.339 4.470 0.006 0.000 0.302 409 S C -1.116 173.080 174.600 -0.673 0.000 1.082 409 S CA -0.613 57.335 58.200 -0.420 0.000 1.009 409 S CB 1.435 64.252 63.200 -0.638 0.000 1.069 409 S HN 0.555 nan 8.310 nan 0.000 0.500 410 F N 0.417 120.268 119.950 -0.165 0.000 2.576 410 F HA 0.683 5.213 4.527 0.006 0.000 0.313 410 F C -0.115 175.654 175.800 -0.051 0.000 1.078 410 F CA -0.541 57.417 58.000 -0.070 0.000 0.921 410 F CB 2.260 41.241 39.000 -0.032 0.000 1.232 410 F HN 0.800 nan 8.300 nan 0.000 0.459 411 D N 1.813 122.310 120.400 0.162 0.000 2.736 411 D HA 0.395 5.038 4.640 0.006 0.000 0.223 411 D C -1.679 174.696 176.300 0.124 0.000 1.231 411 D CA -0.362 53.706 54.000 0.114 0.000 0.818 411 D CB 2.302 43.130 40.800 0.046 0.000 1.587 411 D HN 0.302 nan 8.370 nan 0.000 0.463 412 L N 1.036 122.316 121.223 0.095 0.000 2.439 412 L HA 0.374 4.718 4.340 0.006 0.000 0.259 412 L C 1.190 178.077 176.870 0.028 0.000 1.129 412 L CA -0.060 54.807 54.840 0.045 0.000 0.803 412 L CB 0.994 43.027 42.059 -0.044 0.000 1.161 412 L HN 0.326 nan 8.230 nan 0.000 0.462 413 T N 0.322 114.888 114.554 0.021 0.000 2.845 413 T HA 0.161 4.514 4.350 0.006 0.000 0.288 413 T C 0.399 175.069 174.700 -0.049 0.000 0.980 413 T CA -0.327 61.802 62.100 0.049 0.000 1.071 413 T CB 0.658 69.624 68.868 0.163 0.000 0.941 413 T HN 0.648 nan 8.240 nan 0.000 0.487 414 S N 2.663 118.361 115.700 -0.004 0.000 3.268 414 S HA -0.163 4.310 4.470 0.006 0.000 0.347 414 S C 1.296 175.800 174.600 -0.160 0.000 0.925 414 S CA -0.069 58.083 58.200 -0.080 0.000 1.286 414 S CB -1.239 61.861 63.200 -0.167 0.000 0.890 414 S HN 0.673 nan 8.310 nan 0.000 0.495 415 L N 1.783 122.948 121.223 -0.097 0.000 1.978 415 L HA -0.235 4.109 4.340 0.006 0.000 0.235 415 L C 1.929 178.805 176.870 0.010 0.000 1.094 415 L CA 2.341 57.151 54.840 -0.051 0.000 0.814 415 L CB -0.868 41.212 42.059 0.036 0.000 0.911 415 L HN 0.566 nan 8.230 nan 0.000 0.442 416 Y N -0.288 119.880 120.300 -0.219 0.000 2.151 416 Y HA -0.173 4.381 4.550 0.006 0.000 0.284 416 Y C -0.047 175.694 175.900 -0.266 0.000 1.166 416 Y CA 1.535 59.468 58.100 -0.279 0.000 1.163 416 Y CB -2.582 35.646 38.460 -0.386 0.000 0.974 416 Y HN 0.375 nan 8.280 nan 0.000 0.511 417 P HA -0.091 nan 4.420 nan 0.000 0.217 417 P C 1.841 178.954 177.300 -0.310 0.000 1.150 417 P CA 2.211 65.207 63.100 -0.174 0.000 0.832 417 P CB 0.055 31.655 31.700 -0.167 0.000 0.787 418 S N -0.859 114.619 115.700 -0.371 0.000 2.383 418 S HA -0.065 4.408 4.470 0.006 0.000 0.227 418 S C 1.846 176.188 174.600 -0.430 0.000 1.026 418 S CA 0.914 58.839 58.200 -0.459 0.000 0.981 418 S CB -0.991 61.916 63.200 -0.488 0.000 0.818 418 S HN 0.121 nan 8.310 nan 0.000 0.472 419 I N 1.371 121.704 120.570 -0.395 0.000 2.286 419 I HA -0.178 3.995 4.170 0.006 0.000 0.248 419 I C 1.968 177.760 176.117 -0.542 0.000 1.115 419 I CA 1.181 62.157 61.300 -0.540 0.000 1.392 419 I CB -0.426 37.281 38.000 -0.488 0.000 1.065 419 I HN 0.260 nan 8.210 nan 0.000 0.418 420 I N 0.483 120.809 120.570 -0.407 0.000 2.226 420 I HA -0.273 3.901 4.170 0.006 0.000 0.245 420 I C 2.710 178.614 176.117 -0.355 0.000 1.100 420 I CA 1.428 62.504 61.300 -0.372 0.000 1.374 420 I CB -0.369 37.470 38.000 -0.268 0.000 1.057 420 I HN 0.177 nan 8.210 nan 0.000 0.413 421 R N 0.203 120.507 120.500 -0.326 0.000 2.073 421 R HA -0.176 4.167 4.340 0.006 0.000 0.229 421 R C 2.307 178.437 176.300 -0.284 0.000 1.120 421 R CA 1.204 57.141 56.100 -0.271 0.000 0.967 421 R CB -0.335 29.810 30.300 -0.258 0.000 0.862 421 R HN 0.401 nan 8.270 nan 0.000 0.436 422 Q N 0.668 120.251 119.800 -0.362 0.000 2.084 422 Q HA -0.120 4.224 4.340 0.006 0.000 0.202 422 Q C 1.688 177.491 176.000 -0.329 0.000 0.978 422 Q CA 1.528 57.126 55.803 -0.343 0.000 0.844 422 Q CB 0.242 28.727 28.738 -0.422 0.000 0.898 422 Q HN 0.160 nan 8.270 nan 0.000 0.426 423 V N 0.854 120.496 119.914 -0.453 0.000 3.235 423 V HA -0.027 4.097 4.120 0.006 0.000 0.259 423 V C 0.379 176.255 176.094 -0.364 0.000 1.133 423 V CA 0.839 62.888 62.300 -0.418 0.000 1.128 423 V CB -0.675 30.795 31.823 -0.588 0.000 0.757 423 V HN 0.666 nan 8.190 nan 0.000 0.469 424 N N 0.197 118.684 118.700 -0.355 0.000 2.780 424 N HA -0.191 4.552 4.740 0.006 0.000 0.247 424 N C -0.406 174.846 175.510 -0.430 0.000 1.076 424 N CA 0.236 53.123 53.050 -0.273 0.000 0.688 424 N CB -1.392 37.028 38.487 -0.110 0.000 0.957 424 N HN 0.532 nan 8.380 nan 0.000 0.551 425 I N 0.151 120.340 120.570 -0.635 0.000 2.471 425 I HA 0.290 4.463 4.170 0.006 0.000 0.286 425 I C 0.816 176.728 176.117 -0.341 0.000 1.079 425 I CA 0.148 60.956 61.300 -0.819 0.000 1.398 425 I CB 1.165 38.728 38.000 -0.727 0.000 1.403 425 I HN 0.285 nan 8.210 nan 0.000 0.530 426 S N 7.021 122.635 115.700 -0.143 0.000 2.578 426 S HA 0.375 4.848 4.470 0.006 0.000 0.272 426 S C -2.149 172.469 174.600 0.031 0.000 1.145 426 S CA -0.913 57.248 58.200 -0.066 0.000 0.835 426 S CB 1.842 64.996 63.200 -0.077 0.000 1.104 426 S HN 0.386 nan 8.310 nan 0.000 0.458 427 P HA -0.086 nan 4.420 nan 0.000 0.219 427 P C 0.640 177.961 177.300 0.036 0.000 1.146 427 P CA 1.235 64.365 63.100 0.051 0.000 0.808 427 P CB 0.032 31.770 31.700 0.064 0.000 0.779 428 E N -0.053 120.119 120.200 -0.046 0.000 2.538 428 E HA 0.029 4.382 4.350 0.006 0.000 0.207 428 E C 0.630 177.297 176.600 0.112 0.000 1.002 428 E CA 0.413 56.776 56.400 -0.062 0.000 0.952 428 E CB -0.832 28.739 29.700 -0.214 0.000 1.031 428 E HN 0.201 nan 8.360 nan 0.000 0.476 429 T N -1.211 113.452 114.554 0.181 0.000 3.176 429 T HA 0.385 4.739 4.350 0.006 0.000 0.263 429 T C 0.817 175.650 174.700 0.221 0.000 1.021 429 T CA -0.467 61.824 62.100 0.318 0.000 0.905 429 T CB -0.508 68.516 68.868 0.260 0.000 1.057 429 T HN 0.040 nan 8.240 nan 0.000 0.558 430 I N 1.983 122.598 120.570 0.075 0.000 2.517 430 I HA 0.323 4.497 4.170 0.006 0.000 0.285 430 I C 1.462 177.277 176.117 -0.503 0.000 1.106 430 I CA -0.401 60.719 61.300 -0.299 0.000 1.402 430 I CB 1.015 38.900 38.000 -0.191 0.000 1.399 430 I HN 0.314 nan 8.210 nan 0.000 0.535 431 A N 5.049 127.299 122.820 -0.951 0.000 1.973 431 A HA 0.608 4.932 4.320 0.006 0.000 0.210 431 A C 1.002 178.136 177.584 -0.750 0.000 1.200 431 A CA 0.852 52.102 52.037 -1.312 0.000 0.707 431 A CB 0.146 17.817 19.000 -2.215 0.000 0.862 431 A HN 0.865 nan 8.150 nan 0.000 0.461 432 G N -1.949 106.490 108.800 -0.601 0.000 2.399 432 G HA2 0.472 4.435 3.960 0.006 0.000 0.256 432 G HA3 0.472 4.435 3.960 0.006 0.000 0.256 432 G C -0.452 174.289 174.900 -0.265 0.000 1.236 432 G CA 0.413 45.309 45.100 -0.341 0.000 0.914 432 G HN 0.989 nan 8.290 nan 0.000 0.482 433 T N -2.123 112.351 114.554 -0.134 0.000 2.831 433 T HA 0.882 5.235 4.350 0.006 0.000 0.287 433 T C -1.024 173.720 174.700 0.074 0.000 1.070 433 T CA -0.283 61.756 62.100 -0.102 0.000 1.010 433 T CB 2.097 70.862 68.868 -0.173 0.000 1.264 433 T HN 2.010 nan 8.240 nan 0.000 0.532 434 F N -1.645 118.260 119.950 -0.076 0.000 2.650 434 F HA 0.634 5.164 4.527 0.006 0.000 0.310 434 F C -0.779 175.012 175.800 -0.015 0.000 1.112 434 F CA -1.454 56.525 58.000 -0.034 0.000 0.986 434 F CB 1.302 40.288 39.000 -0.023 0.000 1.285 434 F HN 0.476 nan 8.300 nan 0.000 0.440 435 K N 2.811 123.286 120.400 0.125 0.000 2.491 435 K HA 0.191 4.514 4.320 0.006 0.000 0.279 435 K C -0.481 176.191 176.600 0.119 0.000 1.026 435 K CA -0.011 56.308 56.287 0.053 0.000 1.070 435 K CB 1.583 34.136 32.500 0.089 0.000 0.887 435 K HN 0.668 nan 8.250 nan 0.000 0.481 436 V N 2.251 122.148 119.914 -0.029 0.000 2.612 436 V HA 0.530 4.654 4.120 0.006 0.000 0.301 436 V C -0.292 175.879 176.094 0.128 0.000 1.046 436 V CA -0.503 61.851 62.300 0.091 0.000 0.946 436 V CB 1.657 33.423 31.823 -0.094 0.000 1.003 436 V HN 0.894 nan 8.190 nan 0.000 0.459 437 A N 6.808 129.747 122.820 0.198 0.000 2.294 437 A HA 0.879 5.202 4.320 0.006 0.000 0.330 437 A C -2.603 174.946 177.584 -0.058 0.000 1.133 437 A CA -1.894 50.123 52.037 -0.032 0.000 0.836 437 A CB 0.636 19.495 19.000 -0.236 0.000 1.190 437 A HN 0.751 nan 8.150 nan 0.000 0.492 438 P HA -0.054 nan 4.420 nan 0.000 0.266 438 P C 0.929 178.108 177.300 -0.202 0.000 1.180 438 P CA -0.011 62.960 63.100 -0.215 0.000 0.765 438 P CB 0.358 31.812 31.700 -0.410 0.000 0.806 439 L N 4.084 125.278 121.223 -0.049 0.000 2.079 439 L HA -0.213 4.131 4.340 0.006 0.000 0.210 439 L C 2.061 178.972 176.870 0.069 0.000 1.081 439 L CA 2.071 56.967 54.840 0.092 0.000 0.752 439 L CB -1.267 40.840 42.059 0.080 0.000 0.896 439 L HN 0.555 nan 8.230 nan 0.000 0.433 440 H N -2.991 116.103 119.070 0.041 0.000 2.561 440 H HA -0.013 4.547 4.556 0.006 0.000 0.278 440 H C 1.423 176.756 175.328 0.008 0.000 1.014 440 H CA 1.090 57.147 56.048 0.015 0.000 1.211 440 H CB -0.791 28.963 29.762 -0.012 0.000 1.365 440 H HN 0.403 nan 8.280 nan 0.000 0.594 441 D N 0.380 120.689 120.400 -0.150 0.000 2.162 441 D HA -0.121 4.522 4.640 0.006 0.000 0.203 441 D C 1.275 177.561 176.300 -0.023 0.000 0.967 441 D CA 0.971 54.894 54.000 -0.129 0.000 0.840 441 D CB -0.228 40.346 40.800 -0.376 0.000 0.972 441 D HN 0.451 nan 8.370 nan 0.000 0.482 442 Y N 1.341 121.749 120.300 0.182 0.000 2.242 442 Y HA -0.021 4.533 4.550 0.006 0.000 0.291 442 Y C 2.475 178.661 175.900 0.477 0.000 1.137 442 Y CA 0.272 58.567 58.100 0.326 0.000 1.181 442 Y CB -0.531 37.984 38.460 0.092 0.000 0.989 442 Y HN -0.073 nan 8.280 nan 0.000 0.527 443 I N 0.208 121.039 120.570 0.434 0.000 2.127 443 I HA -0.341 3.833 4.170 0.006 0.000 0.241 443 I C 1.368 177.607 176.117 0.204 0.000 1.075 443 I CA 1.536 63.056 61.300 0.367 0.000 1.334 443 I CB -0.411 37.689 38.000 0.166 0.000 1.040 443 I HN 0.255 nan 8.210 nan 0.000 0.405 444 N N 1.474 120.251 118.700 0.127 0.000 2.501 444 N HA 0.097 4.840 4.740 0.006 0.000 0.195 444 N C 0.599 176.098 175.510 -0.019 0.000 1.213 444 N CA 0.791 53.838 53.050 -0.005 0.000 0.864 444 N CB 0.107 38.609 38.487 0.024 0.000 0.999 444 N HN 0.328 nan 8.380 nan 0.000 0.454 445 A N -0.126 122.781 122.820 0.145 0.000 2.466 445 A HA -0.178 4.146 4.320 0.006 0.000 0.295 445 A C 1.004 178.588 177.584 -0.001 0.000 1.465 445 A CA 0.686 52.784 52.037 0.101 0.000 0.744 445 A CB -1.750 17.156 19.000 -0.158 0.000 1.098 445 A HN 0.160 nan 8.150 nan 0.000 0.402 446 V N -0.570 119.390 119.914 0.076 0.000 3.250 446 V HA 0.385 4.508 4.120 0.006 0.000 0.240 446 V C 1.656 177.769 176.094 0.031 0.000 1.275 446 V CA 0.869 63.181 62.300 0.021 0.000 1.206 446 V CB 0.020 31.846 31.823 0.006 0.000 0.976 446 V HN 1.616 nan 8.190 nan 0.000 0.467 447 A N 1.710 124.527 122.820 -0.006 0.000 2.507 447 A HA 0.202 4.526 4.320 0.006 0.000 0.235 447 A C 0.575 178.237 177.584 0.130 0.000 1.070 447 A CA 0.013 51.988 52.037 -0.104 0.000 0.768 447 A CB -0.159 18.434 19.000 -0.677 0.000 1.011 447 A HN 0.663 nan 8.150 nan 0.000 0.502 448 E N 1.355 121.613 120.200 0.097 0.000 2.415 448 E HA 0.104 4.457 4.350 0.006 0.000 0.262 448 E C 0.171 176.911 176.600 0.235 0.000 1.038 448 E CA -0.487 56.001 56.400 0.147 0.000 0.921 448 E CB 0.473 30.227 29.700 0.090 0.000 0.950 448 E HN 0.585 nan 8.360 nan 0.000 0.438 449 R N 3.868 124.507 120.500 0.231 0.000 2.421 449 R HA 0.026 4.370 4.340 0.006 0.000 0.305 449 R C -1.314 174.956 176.300 -0.050 0.000 1.039 449 R CA -1.003 55.205 56.100 0.180 0.000 1.003 449 R CB 0.461 30.869 30.300 0.179 0.000 0.959 449 R HN 0.522 nan 8.270 nan 0.000 0.427 450 P HA -0.159 nan 4.420 nan 0.000 0.214 450 P C 0.006 177.015 177.300 -0.486 0.000 1.163 450 P CA 1.112 63.795 63.100 -0.695 0.000 0.889 450 P CB 0.203 30.980 31.700 -1.538 0.000 0.790 451 S N -2.211 113.282 115.700 -0.344 0.000 2.556 451 S HA 0.376 4.849 4.470 0.006 0.000 0.271 451 S C -0.324 174.205 174.600 -0.117 0.000 1.135 451 S CA -0.567 57.524 58.200 -0.181 0.000 0.858 451 S CB 1.671 64.801 63.200 -0.118 0.000 1.114 451 S HN -0.193 nan 8.310 nan 0.000 0.468 452 D N 1.259 121.596 120.400 -0.104 0.000 2.449 452 D HA 0.142 4.786 4.640 0.006 0.000 0.210 452 D C 1.423 177.647 176.300 -0.125 0.000 1.094 452 D CA 1.175 55.123 54.000 -0.086 0.000 0.846 452 D CB 0.767 41.528 40.800 -0.065 0.000 1.003 452 D HN 0.391 nan 8.370 nan 0.000 0.504 453 V N -2.059 117.724 119.914 -0.220 0.000 3.570 453 V HA 0.375 4.498 4.120 0.006 0.000 0.257 453 V C 0.005 175.859 176.094 -0.400 0.000 1.272 453 V CA 0.053 62.136 62.300 -0.361 0.000 1.079 453 V CB -0.193 31.283 31.823 -0.577 0.000 0.829 453 V HN -0.196 nan 8.190 nan 0.000 0.454 454 Y N 0.675 120.945 120.300 -0.049 0.000 2.602 454 Y HA 0.738 5.291 4.550 0.006 0.000 0.330 454 Y C 0.716 176.582 175.900 -0.055 0.000 1.114 454 Y CA -1.019 57.047 58.100 -0.058 0.000 1.182 454 Y CB 1.501 39.891 38.460 -0.118 0.000 1.305 454 Y HN 0.030 nan 8.280 nan 0.000 0.502 455 S N 0.450 116.260 115.700 0.183 0.000 2.545 455 S HA 0.558 5.031 4.470 0.006 0.000 0.275 455 S C -0.730 173.936 174.600 0.111 0.000 1.299 455 S CA -0.274 57.986 58.200 0.099 0.000 1.048 455 S CB -0.327 62.928 63.200 0.092 0.000 0.938 455 S HN 0.658 nan 8.310 nan 0.000 0.496 456 C N 2.539 121.867 119.300 0.047 0.000 2.913 456 C HA 0.893 5.356 4.460 0.006 0.000 0.322 456 C C 0.063 175.121 174.990 0.113 0.000 1.292 456 C CA -0.755 58.301 59.018 0.063 0.000 1.649 456 C CB 1.666 29.309 27.740 -0.162 0.000 2.139 456 C HN 0.818 nan 8.230 nan 0.000 0.475 457 S N -0.038 115.782 115.700 0.200 0.000 2.541 457 S HA 0.513 4.987 4.470 0.006 0.000 0.280 457 S C -2.422 172.235 174.600 0.095 0.000 1.112 457 S CA -0.915 57.393 58.200 0.180 0.000 0.925 457 S CB 1.681 64.986 63.200 0.174 0.000 1.067 457 S HN 0.495 nan 8.310 nan 0.000 0.479 458 P HA -0.086 nan 4.420 nan 0.000 0.224 458 P C 0.861 178.073 177.300 -0.147 0.000 1.142 458 P CA 0.804 63.733 63.100 -0.286 0.000 0.778 458 P CB -0.141 31.393 31.700 -0.276 0.000 0.764 459 N N -1.029 117.612 118.700 -0.098 0.000 2.398 459 N HA 0.024 4.768 4.740 0.006 0.000 0.188 459 N C 1.173 176.509 175.510 -0.290 0.000 1.122 459 N CA 0.964 53.936 53.050 -0.130 0.000 0.866 459 N CB -0.538 37.907 38.487 -0.069 0.000 0.970 459 N HN 0.156 nan 8.380 nan 0.000 0.462 460 G N -0.100 108.393 108.800 -0.511 0.000 2.159 460 G HA2 -0.183 3.781 3.960 0.006 0.000 0.227 460 G HA3 -0.183 3.781 3.960 0.006 0.000 0.227 460 G C -0.151 174.364 174.900 -0.641 0.000 0.986 460 G CA 0.016 44.415 45.100 -1.168 0.000 0.651 460 G HN 0.206 nan 8.290 nan 0.000 0.523 461 M N 0.222 119.710 119.600 -0.187 0.000 2.444 461 M HA 0.746 5.229 4.480 0.006 0.000 0.319 461 M C 0.481 176.739 176.300 -0.070 0.000 1.183 461 M CA -0.160 55.028 55.300 -0.187 0.000 1.032 461 M CB 1.317 33.777 32.600 -0.233 0.000 1.569 461 M HN 0.174 nan 8.290 nan 0.000 0.468 462 M N 1.727 121.091 119.600 -0.394 0.000 2.393 462 M HA 0.481 4.964 4.480 0.006 0.000 0.299 462 M C -1.780 174.078 176.300 -0.737 0.000 1.103 462 M CA -0.530 54.575 55.300 -0.325 0.000 0.910 462 M CB 2.356 34.823 32.600 -0.222 0.000 1.659 462 M HN 0.455 nan 8.290 nan 0.000 0.445 463 Y N 0.148 120.299 120.300 -0.248 0.000 2.499 463 Y HA 0.488 5.042 4.550 0.006 0.000 0.347 463 Y C -0.714 175.063 175.900 -0.205 0.000 0.987 463 Y CA -0.897 57.033 58.100 -0.283 0.000 1.044 463 Y CB 1.273 39.647 38.460 -0.145 0.000 1.245 463 Y HN 0.439 nan 8.280 nan 0.000 0.461 464 Y N 1.907 122.267 120.300 0.099 0.000 2.620 464 Y HA 0.008 4.562 4.550 0.006 0.000 0.330 464 Y C 1.306 177.293 175.900 0.145 0.000 1.186 464 Y CA 0.217 58.417 58.100 0.167 0.000 1.467 464 Y CB 0.656 39.177 38.460 0.102 0.000 1.262 464 Y HN 0.583 nan 8.280 nan 0.000 0.550 465 K N 1.534 122.111 120.400 0.295 0.000 2.314 465 K HA -0.092 4.232 4.320 0.006 0.000 0.198 465 K C 1.166 177.838 176.600 0.120 0.000 1.045 465 K CA 0.986 57.366 56.287 0.156 0.000 0.988 465 K CB 0.130 32.695 32.500 0.109 0.000 0.783 465 K HN 0.782 nan 8.250 nan 0.000 0.484 466 D N 1.184 121.673 120.400 0.148 0.000 2.106 466 D HA -0.108 4.536 4.640 0.006 0.000 0.203 466 D C 0.943 177.274 176.300 0.051 0.000 0.977 466 D CA 0.450 54.498 54.000 0.080 0.000 0.844 466 D CB -0.263 40.575 40.800 0.065 0.000 1.002 466 D HN -0.003 nan 8.370 nan 0.000 0.461 467 R N 1.261 121.795 120.500 0.057 0.000 3.127 467 R HA 0.001 4.344 4.340 0.006 0.000 0.290 467 R C 1.405 177.719 176.300 0.023 0.000 1.089 467 R CA 0.889 56.998 56.100 0.015 0.000 1.188 467 R CB 0.191 30.492 30.300 0.002 0.000 1.175 467 R HN 0.413 nan 8.270 nan 0.000 0.550 468 D N -1.026 119.377 120.400 0.004 0.000 3.032 468 D HA 0.104 4.747 4.640 0.006 0.000 0.280 468 D C 0.392 176.686 176.300 -0.010 0.000 1.381 468 D CA 0.564 54.562 54.000 -0.003 0.000 1.068 468 D CB -0.167 40.628 40.800 -0.009 0.000 1.148 468 D HN 0.656 nan 8.370 nan 0.000 0.401 469 G N 1.083 109.873 108.800 -0.018 0.000 3.439 469 G HA2 -0.089 3.874 3.960 0.006 0.000 0.686 469 G HA3 -0.089 3.874 3.960 0.006 0.000 0.686 469 G C 0.811 175.683 174.900 -0.046 0.000 1.075 469 G CA -0.083 44.995 45.100 -0.036 0.000 0.926 469 G HN 0.649 nan 8.290 nan 0.000 0.485 470 V N 1.329 121.206 119.914 -0.060 0.000 2.392 470 V HA -0.202 3.922 4.120 0.006 0.000 0.249 470 V C 2.670 178.742 176.094 -0.036 0.000 1.059 470 V CA 2.381 64.654 62.300 -0.045 0.000 1.051 470 V CB -1.219 30.561 31.823 -0.072 0.000 0.658 470 V HN 0.965 nan 8.190 nan 0.000 0.455 471 V N 0.865 120.725 119.914 -0.090 0.000 2.237 471 V HA -0.105 4.019 4.120 0.006 0.000 0.245 471 V C 0.600 176.650 176.094 -0.074 0.000 1.046 471 V CA 2.816 65.057 62.300 -0.098 0.000 1.007 471 V CB -1.857 29.873 31.823 -0.154 0.000 0.638 471 V HN 0.484 nan 8.190 nan 0.000 0.445 472 P HA -0.152 nan 4.420 nan 0.000 0.216 472 P C 1.786 179.070 177.300 -0.027 0.000 1.154 472 P CA 1.961 65.006 63.100 -0.091 0.000 0.865 472 P CB -0.166 31.468 31.700 -0.110 0.000 0.789 473 T N -0.568 113.986 114.554 0.001 0.000 2.668 473 T HA -0.107 4.246 4.350 0.006 0.000 0.262 473 T C 1.569 176.331 174.700 0.102 0.000 1.045 473 T CA 1.131 63.256 62.100 0.042 0.000 1.152 473 T CB -0.708 68.180 68.868 0.033 0.000 0.864 473 T HN 0.141 nan 8.240 nan 0.000 0.419 474 E N 0.817 121.098 120.200 0.135 0.000 2.204 474 E HA 0.021 4.375 4.350 0.006 0.000 0.195 474 E C 2.076 178.898 176.600 0.369 0.000 0.990 474 E CA 0.471 57.029 56.400 0.263 0.000 0.821 474 E CB -0.330 29.572 29.700 0.337 0.000 0.750 474 E HN 0.467 nan 8.360 nan 0.000 0.477 475 I N 0.821 121.532 120.570 0.235 0.000 2.617 475 I HA -0.171 4.002 4.170 0.006 0.000 0.256 475 I C 1.531 177.782 176.117 0.223 0.000 1.167 475 I CA 0.903 62.336 61.300 0.222 0.000 1.469 475 I CB 0.119 38.112 38.000 -0.011 0.000 1.098 475 I HN 0.033 nan 8.210 nan 0.000 0.436 476 T N 0.656 115.313 114.554 0.171 0.000 2.904 476 T HA -0.112 4.242 4.350 0.006 0.000 0.267 476 T C 1.848 176.692 174.700 0.239 0.000 1.059 476 T CA 0.843 63.066 62.100 0.204 0.000 1.137 476 T CB -0.036 68.911 68.868 0.131 0.000 0.879 476 T HN 0.302 nan 8.240 nan 0.000 0.467 477 K N 0.839 121.366 120.400 0.212 0.000 2.009 477 K HA -0.055 4.269 4.320 0.006 0.000 0.210 477 K C 2.342 179.030 176.600 0.148 0.000 1.049 477 K CA 1.144 57.544 56.287 0.189 0.000 0.929 477 K CB -0.635 32.013 32.500 0.248 0.000 0.714 477 K HN 0.156 nan 8.250 nan 0.000 0.440 478 V N 1.336 121.356 119.914 0.176 0.000 2.490 478 V HA -0.232 3.892 4.120 0.006 0.000 0.250 478 V C 2.037 178.196 176.094 0.109 0.000 1.061 478 V CA 1.594 63.936 62.300 0.070 0.000 1.064 478 V CB -0.571 31.326 31.823 0.124 0.000 0.670 478 V HN 0.236 nan 8.190 nan 0.000 0.461 479 F N 1.992 121.976 119.950 0.056 0.000 2.171 479 F HA -0.136 4.395 4.527 0.006 0.000 0.300 479 F C 2.209 178.008 175.800 -0.002 0.000 1.090 479 F CA 1.655 59.672 58.000 0.027 0.000 1.293 479 F CB -0.425 38.590 39.000 0.025 0.000 1.013 479 F HN 0.188 nan 8.300 nan 0.000 0.486 480 N N 0.499 119.066 118.700 -0.221 0.000 2.244 480 N HA -0.153 4.591 4.740 0.006 0.000 0.183 480 N C 1.828 177.156 175.510 -0.304 0.000 1.016 480 N CA 1.224 54.075 53.050 -0.332 0.000 0.866 480 N CB -0.445 37.980 38.487 -0.102 0.000 0.980 480 N HN 0.535 nan 8.380 nan 0.000 0.430 481 Q N 0.586 120.269 119.800 -0.195 0.000 2.020 481 Q HA -0.105 4.239 4.340 0.006 0.000 0.202 481 Q C 2.189 178.061 176.000 -0.212 0.000 0.982 481 Q CA 1.228 56.920 55.803 -0.184 0.000 0.838 481 Q CB -0.108 28.564 28.738 -0.109 0.000 0.899 481 Q HN 0.313 nan 8.270 nan 0.000 0.423 482 R N 1.100 121.494 120.500 -0.178 0.000 2.091 482 R HA -0.234 4.109 4.340 0.006 0.000 0.238 482 R C 2.100 178.241 176.300 -0.266 0.000 1.136 482 R CA 1.859 57.870 56.100 -0.149 0.000 0.959 482 R CB -0.062 30.183 30.300 -0.092 0.000 0.856 482 R HN -0.059 nan 8.270 nan 0.000 0.437 483 K N 0.909 121.039 120.400 -0.449 0.000 2.034 483 K HA -0.250 4.073 4.320 0.006 0.000 0.214 483 K C 1.916 178.285 176.600 -0.385 0.000 1.051 483 K CA 2.308 58.328 56.287 -0.446 0.000 0.931 483 K CB -0.277 31.894 32.500 -0.549 0.000 0.715 483 K HN 0.380 nan 8.250 nan 0.000 0.446 484 E N -0.714 119.215 120.200 -0.452 0.000 2.005 484 E HA -0.264 4.090 4.350 0.006 0.000 0.198 484 E C 1.986 178.056 176.600 -0.884 0.000 1.010 484 E CA 1.557 57.564 56.400 -0.655 0.000 0.825 484 E CB -0.210 29.091 29.700 -0.666 0.000 0.769 484 E HN 0.484 nan 8.360 nan 0.000 0.456 485 H N 0.187 118.929 119.070 -0.547 0.000 2.426 485 H HA -0.118 4.442 4.556 0.006 0.000 0.298 485 H C 2.109 177.252 175.328 -0.308 0.000 1.107 485 H CA 1.543 57.352 56.048 -0.398 0.000 1.298 485 H CB -0.136 29.524 29.762 -0.170 0.000 1.377 485 H HN 0.209 nan 8.280 nan 0.000 0.519 486 K N 0.486 120.778 120.400 -0.180 0.000 2.155 486 K HA -0.070 4.253 4.320 0.006 0.000 0.203 486 K C 2.399 178.895 176.600 -0.172 0.000 1.052 486 K CA 0.884 57.087 56.287 -0.140 0.000 0.948 486 K CB -0.070 32.353 32.500 -0.128 0.000 0.728 486 K HN 0.248 nan 8.250 nan 0.000 0.448 487 G N 0.313 108.941 108.800 -0.286 0.000 2.433 487 G HA2 -0.251 3.713 3.960 0.006 0.000 0.216 487 G HA3 -0.251 3.713 3.960 0.006 0.000 0.216 487 G C 1.069 175.864 174.900 -0.173 0.000 1.186 487 G CA 0.859 45.807 45.100 -0.254 0.000 0.779 487 G HN 0.255 nan 8.290 nan 0.000 0.543 488 Y N 0.122 120.308 120.300 -0.190 0.000 2.207 488 Y HA -0.058 4.495 4.550 0.006 0.000 0.287 488 Y C 2.793 178.585 175.900 -0.180 0.000 1.156 488 Y CA 0.782 58.727 58.100 -0.258 0.000 1.182 488 Y CB -0.924 37.405 38.460 -0.218 0.000 0.979 488 Y HN 0.190 nan 8.280 nan 0.000 0.521 489 M N -0.456 119.152 119.600 0.014 0.000 2.059 489 M HA -0.206 4.277 4.480 0.006 0.000 0.259 489 M C 2.022 178.290 176.300 -0.054 0.000 1.072 489 M CA 1.837 57.122 55.300 -0.025 0.000 1.117 489 M CB -0.473 32.105 32.600 -0.036 0.000 1.320 489 M HN 0.295 nan 8.290 nan 0.000 0.408 490 L N 0.297 121.480 121.223 -0.067 0.000 2.127 490 L HA -0.195 4.148 4.340 0.006 0.000 0.211 490 L C 2.729 179.548 176.870 -0.085 0.000 1.089 490 L CA 1.197 55.993 54.840 -0.073 0.000 0.757 490 L CB -0.918 41.095 42.059 -0.075 0.000 0.899 490 L HN 0.452 nan 8.230 nan 0.000 0.434 491 A N -0.081 122.686 122.820 -0.089 0.000 1.873 491 A HA -0.145 4.179 4.320 0.006 0.000 0.215 491 A C 2.534 180.030 177.584 -0.146 0.000 1.186 491 A CA 1.585 53.554 52.037 -0.112 0.000 0.616 491 A CB -0.710 18.220 19.000 -0.117 0.000 0.823 491 A HN 0.385 nan 8.150 nan 0.000 0.442 492 A N -0.884 121.867 122.820 -0.114 0.000 1.972 492 A HA -0.213 4.110 4.320 0.006 0.000 0.219 492 A C 2.153 179.677 177.584 -0.100 0.000 1.169 492 A CA 1.836 53.813 52.037 -0.100 0.000 0.635 492 A CB -0.506 18.451 19.000 -0.071 0.000 0.810 492 A HN 0.686 nan 8.150 nan 0.000 0.446 493 Q N -0.548 119.200 119.800 -0.086 0.000 2.046 493 Q HA -0.145 4.198 4.340 0.006 0.000 0.200 493 Q C 2.342 178.297 176.000 -0.075 0.000 0.975 493 Q CA 1.392 57.158 55.803 -0.061 0.000 0.836 493 Q CB -0.080 28.627 28.738 -0.051 0.000 0.896 493 Q HN 0.671 nan 8.270 nan 0.000 0.428 494 R N 0.076 120.510 120.500 -0.110 0.000 2.073 494 R HA -0.080 4.263 4.340 0.006 0.000 0.234 494 R C 2.053 178.272 176.300 -0.135 0.000 1.134 494 R CA 1.371 57.402 56.100 -0.115 0.000 0.952 494 R CB -0.311 29.919 30.300 -0.115 0.000 0.850 494 R HN 0.324 nan 8.270 nan 0.000 0.433 495 N N 0.242 118.781 118.700 -0.268 0.000 2.205 495 N HA -0.123 4.620 4.740 0.006 0.000 0.186 495 N C 1.772 177.201 175.510 -0.136 0.000 1.015 495 N CA 1.543 54.288 53.050 -0.510 0.000 0.862 495 N CB -0.568 37.234 38.487 -1.142 0.000 0.986 495 N HN 0.363 nan 8.380 nan 0.000 0.429 496 G N 0.946 109.711 108.800 -0.059 0.000 2.422 496 G HA2 -0.177 3.786 3.960 0.006 0.000 0.218 496 G HA3 -0.177 3.786 3.960 0.006 0.000 0.218 496 G C 1.446 176.390 174.900 0.073 0.000 1.140 496 G CA 0.399 45.523 45.100 0.039 0.000 0.775 496 G HN 0.207 nan 8.290 nan 0.000 0.545 497 E N 0.391 120.621 120.200 0.050 0.000 2.208 497 E HA 0.030 4.384 4.350 0.006 0.000 0.193 497 E C 2.524 179.184 176.600 0.100 0.000 0.988 497 E CA 0.152 56.600 56.400 0.080 0.000 0.828 497 E CB -0.083 29.643 29.700 0.044 0.000 0.763 497 E HN 0.520 nan 8.360 nan 0.000 0.478 498 I N 0.702 121.335 120.570 0.105 0.000 2.202 498 I HA -0.244 3.930 4.170 0.006 0.000 0.242 498 I C 2.292 178.517 176.117 0.179 0.000 1.091 498 I CA 0.924 62.312 61.300 0.147 0.000 1.368 498 I CB -0.252 37.877 38.000 0.215 0.000 1.058 498 I HN 0.028 nan 8.210 nan 0.000 0.410 499 I N 0.687 121.387 120.570 0.216 0.000 2.335 499 I HA -0.300 3.874 4.170 0.006 0.000 0.251 499 I C 2.412 178.629 176.117 0.167 0.000 1.129 499 I CA 1.454 62.876 61.300 0.203 0.000 1.402 499 I CB -0.376 37.761 38.000 0.228 0.000 1.069 499 I HN 0.205 nan 8.210 nan 0.000 0.424 500 K N 0.339 120.837 120.400 0.162 0.000 2.031 500 K HA -0.122 4.202 4.320 0.006 0.000 0.205 500 K C 2.041 178.821 176.600 0.301 0.000 1.049 500 K CA 0.916 57.306 56.287 0.172 0.000 0.939 500 K CB -0.085 32.507 32.500 0.154 0.000 0.717 500 K HN 0.190 nan 8.250 nan 0.000 0.438 501 E N 0.630 120.981 120.200 0.252 0.000 2.204 501 E HA -0.142 4.212 4.350 0.006 0.000 0.195 501 E C 1.841 178.616 176.600 0.291 0.000 0.990 501 E CA 0.943 57.447 56.400 0.174 0.000 0.821 501 E CB -0.009 29.708 29.700 0.028 0.000 0.750 501 E HN 0.299 nan 8.360 nan 0.000 0.477 502 A N 0.600 123.562 122.820 0.238 0.000 2.067 502 A HA -0.002 4.321 4.320 0.006 0.000 0.217 502 A C 1.895 179.598 177.584 0.198 0.000 1.156 502 A CA 0.221 52.369 52.037 0.186 0.000 0.683 502 A CB -0.275 18.803 19.000 0.130 0.000 0.808 502 A HN 0.145 nan 8.150 nan 0.000 0.455 503 L N -0.030 121.312 121.223 0.197 0.000 2.801 503 L HA 0.041 4.385 4.340 0.006 0.000 0.250 503 L C 0.889 177.701 176.870 -0.097 0.000 1.222 503 L CA 0.117 54.979 54.840 0.036 0.000 1.054 503 L CB -0.599 41.443 42.059 -0.028 0.000 1.330 503 L HN 0.459 nan 8.230 nan 0.000 0.426 504 H N -2.113 116.979 119.070 0.037 0.000 3.046 504 H HA 0.091 4.650 4.556 0.006 0.000 0.262 504 H C 1.430 176.775 175.328 0.029 0.000 1.044 504 H CA 0.012 56.081 56.048 0.034 0.000 1.209 504 H CB 0.423 30.207 29.762 0.037 0.000 1.507 504 H HN 0.224 nan 8.280 nan 0.000 0.507 505 N N 1.054 119.838 118.700 0.141 0.000 2.338 505 N HA 0.048 4.791 4.740 0.006 0.000 0.251 505 N C -2.500 173.043 175.510 0.054 0.000 1.199 505 N CA -1.290 51.811 53.050 0.085 0.000 0.879 505 N CB 0.135 38.667 38.487 0.075 0.000 1.159 505 N HN 0.041 nan 8.380 nan 0.000 0.514 506 P HA -0.050 nan 4.420 nan 0.000 0.247 506 P C -0.916 176.397 177.300 0.022 0.000 1.141 506 P CA 0.237 63.353 63.100 0.026 0.000 0.858 506 P CB -0.583 31.124 31.700 0.011 0.000 0.804 507 N N 3.555 122.268 118.700 0.022 0.000 2.475 507 N HA 0.086 4.829 4.740 0.006 0.000 0.267 507 N C 0.313 175.830 175.510 0.012 0.000 1.169 507 N CA -0.266 52.794 53.050 0.017 0.000 0.947 507 N CB 0.164 38.660 38.487 0.015 0.000 1.061 507 N HN 0.252 nan 8.380 nan 0.000 0.466 508 L N 1.610 122.839 121.223 0.010 0.000 2.505 508 L HA 0.163 4.506 4.340 0.006 0.000 0.275 508 L C 0.628 177.502 176.870 0.006 0.000 1.264 508 L CA 0.582 55.426 54.840 0.007 0.000 1.148 508 L CB -2.142 39.921 42.059 0.006 0.000 1.377 508 L HN 0.535 nan 8.230 nan 0.000 0.442 509 S N 1.711 117.414 115.700 0.005 0.000 2.570 509 S HA 0.676 5.150 4.470 0.006 0.000 0.270 509 S C -0.852 173.750 174.600 0.004 0.000 1.149 509 S CA -0.542 57.660 58.200 0.004 0.000 0.837 509 S CB 2.058 65.261 63.200 0.004 0.000 1.124 509 S HN 0.059 nan 8.310 nan 0.000 0.465 510 V N 3.919 123.834 119.914 0.003 0.000 2.383 510 V HA 0.523 4.647 4.120 0.006 0.000 0.275 510 V C -0.322 175.773 176.094 0.003 0.000 1.036 510 V CA -0.205 62.097 62.300 0.002 0.000 0.889 510 V CB 1.262 33.086 31.823 0.001 0.000 0.985 510 V HN 0.875 nan 8.190 nan 0.000 0.459 511 D N 2.910 123.313 120.400 0.005 0.000 2.961 511 D HA 0.613 5.256 4.640 0.006 0.000 0.257 511 D C -0.552 175.753 176.300 0.008 0.000 1.211 511 D CA -0.340 53.663 54.000 0.006 0.000 1.066 511 D CB 1.711 42.515 40.800 0.007 0.000 1.291 511 D HN 0.796 nan 8.370 nan 0.000 0.629 512 E N -0.164 120.043 120.200 0.012 0.000 2.597 512 E HA 0.304 4.658 4.350 0.006 0.000 0.310 512 E C -2.980 173.634 176.600 0.023 0.000 0.970 512 E CA -1.329 55.081 56.400 0.018 0.000 0.819 512 E CB 1.963 31.672 29.700 0.015 0.000 1.267 512 E HN -0.020 nan 8.360 nan 0.000 0.411 513 P HA -0.054 nan 4.420 nan 0.000 0.264 513 P C -0.260 177.065 177.300 0.042 0.000 1.179 513 P CA -0.226 62.909 63.100 0.057 0.000 0.763 513 P CB 0.503 32.262 31.700 0.098 0.000 0.806 514 L N 2.362 123.594 121.223 0.016 0.000 2.482 514 L HA 0.066 4.410 4.340 0.006 0.000 0.273 514 L C 1.328 178.194 176.870 -0.007 0.000 1.228 514 L CA 1.082 55.901 54.840 -0.035 0.000 0.827 514 L CB -0.384 41.599 42.059 -0.127 0.000 1.099 514 L HN 0.426 nan 8.230 nan 0.000 0.494 515 D N 1.720 122.102 120.400 -0.029 0.000 2.493 515 D HA 0.343 4.986 4.640 0.006 0.000 0.235 515 D C -0.931 175.340 176.300 -0.048 0.000 1.117 515 D CA -0.091 53.909 54.000 -0.001 0.000 0.930 515 D CB 0.578 41.384 40.800 0.009 0.000 1.010 515 D HN 0.280 nan 8.370 nan 0.000 0.514 516 V N 0.312 120.162 119.914 -0.106 0.000 3.113 516 V HA 0.575 4.699 4.120 0.006 0.000 0.316 516 V C -0.344 175.682 176.094 -0.113 0.000 1.125 516 V CA -0.983 61.216 62.300 -0.169 0.000 1.026 516 V CB 2.205 33.830 31.823 -0.330 0.000 1.080 516 V HN 0.134 nan 8.190 nan 0.000 0.444 517 D N 0.322 120.718 120.400 -0.006 0.000 2.443 517 D HA 0.338 4.981 4.640 0.006 0.000 0.221 517 D C 0.243 176.618 176.300 0.125 0.000 1.097 517 D CA -0.345 53.730 54.000 0.124 0.000 0.865 517 D CB 0.735 41.655 40.800 0.200 0.000 1.034 517 D HN 0.571 nan 8.370 nan 0.000 0.511 518 Y N 2.207 122.576 120.300 0.115 0.000 2.651 518 Y HA -0.046 4.507 4.550 0.006 0.000 0.296 518 Y C 2.177 177.992 175.900 -0.142 0.000 1.150 518 Y CA 0.539 58.644 58.100 0.008 0.000 1.348 518 Y CB -0.139 38.310 38.460 -0.018 0.000 0.983 518 Y HN 0.298 nan 8.280 nan 0.000 0.555 519 R N -0.776 119.672 120.500 -0.086 0.000 2.237 519 R HA -0.010 4.333 4.340 0.006 0.000 0.219 519 R C -0.588 175.282 176.300 -0.717 0.000 1.080 519 R CA 0.558 56.388 56.100 -0.450 0.000 0.995 519 R CB -0.098 29.695 30.300 -0.846 0.000 0.875 519 R HN 0.151 nan 8.270 nan 0.000 0.462 520 F N 0.366 120.309 119.950 -0.013 0.000 2.546 520 F HA 0.218 4.748 4.527 0.005 0.000 0.320 520 F C 0.295 176.070 175.800 -0.043 0.000 1.076 520 F CA -1.518 56.481 58.000 -0.002 0.000 0.928 520 F CB 0.987 39.993 39.000 0.009 0.000 1.189 520 F HN -0.237 nan 8.300 nan 0.000 0.465 521 D N 2.296 122.775 120.400 0.132 0.000 2.531 521 D HA -0.063 4.580 4.640 0.006 0.000 0.239 521 D C -0.060 176.330 176.300 0.150 0.000 1.144 521 D CA 0.664 54.687 54.000 0.038 0.000 0.869 521 D CB 0.371 41.203 40.800 0.054 0.000 1.160 521 D HN 0.076 nan 8.370 nan 0.000 0.484 522 F N 1.513 121.479 119.950 0.027 0.000 2.629 522 F HA -0.076 4.455 4.527 0.006 0.000 0.377 522 F C 1.619 177.419 175.800 0.001 0.000 1.101 522 F CA -0.702 57.296 58.000 -0.004 0.000 1.301 522 F CB -0.130 38.861 39.000 -0.015 0.000 1.062 522 F HN 0.065 nan 8.300 nan 0.000 0.583 523 S N 2.012 117.820 115.700 0.179 0.000 2.617 523 S HA 0.185 4.659 4.470 0.006 0.000 0.269 523 S C 0.939 175.564 174.600 0.043 0.000 1.292 523 S CA -0.848 57.399 58.200 0.078 0.000 1.010 523 S CB 1.126 64.345 63.200 0.032 0.000 0.944 523 S HN 0.574 nan 8.310 nan 0.000 0.536 524 D N 1.478 121.894 120.400 0.027 0.000 2.133 524 D HA -0.161 4.482 4.640 0.006 0.000 0.195 524 D C 1.964 178.257 176.300 -0.012 0.000 0.997 524 D CA 1.665 55.672 54.000 0.012 0.000 0.840 524 D CB -0.164 40.641 40.800 0.009 0.000 0.947 524 D HN 0.799 nan 8.370 nan 0.000 0.452 525 E N 1.088 121.274 120.200 -0.024 0.000 2.085 525 E HA -0.171 4.183 4.350 0.006 0.000 0.194 525 E C 2.548 179.106 176.600 -0.071 0.000 0.994 525 E CA 0.643 57.018 56.400 -0.041 0.000 0.801 525 E CB -0.678 28.997 29.700 -0.041 0.000 0.743 525 E HN 0.426 nan 8.360 nan 0.000 0.453 526 I N 1.256 121.765 120.570 -0.102 0.000 2.233 526 I HA -0.215 3.959 4.170 0.006 0.000 0.243 526 I C 2.390 178.395 176.117 -0.187 0.000 1.093 526 I CA 1.205 62.382 61.300 -0.204 0.000 1.380 526 I CB -0.322 37.474 38.000 -0.341 0.000 1.067 526 I HN -0.013 nan 8.210 nan 0.000 0.413 527 K N 0.566 120.909 120.400 -0.095 0.000 2.281 527 K HA -0.235 4.088 4.320 0.006 0.000 0.203 527 K C 1.961 178.546 176.600 -0.026 0.000 1.046 527 K CA 1.303 57.575 56.287 -0.024 0.000 0.938 527 K CB -0.154 32.373 32.500 0.045 0.000 0.737 527 K HN 0.403 nan 8.250 nan 0.000 0.458 528 E N 1.437 121.615 120.200 -0.038 0.000 2.033 528 E HA -0.131 4.222 4.350 0.006 0.000 0.189 528 E C 1.612 178.190 176.600 -0.036 0.000 0.979 528 E CA 0.908 57.292 56.400 -0.027 0.000 0.802 528 E CB 0.260 29.944 29.700 -0.026 0.000 0.763 528 E HN 0.155 nan 8.360 nan 0.000 0.449 529 K N 0.559 120.923 120.400 -0.059 0.000 2.009 529 K HA -0.164 4.160 4.320 0.006 0.000 0.210 529 K C 2.288 178.856 176.600 -0.053 0.000 1.049 529 K CA 1.583 57.834 56.287 -0.060 0.000 0.929 529 K CB -0.353 32.096 32.500 -0.084 0.000 0.714 529 K HN 0.222 nan 8.250 nan 0.000 0.440 530 I N 1.756 122.278 120.570 -0.079 0.000 2.181 530 I HA -0.371 3.803 4.170 0.006 0.000 0.247 530 I C 2.091 178.206 176.117 -0.002 0.000 1.081 530 I CA 1.567 62.837 61.300 -0.049 0.000 1.340 530 I CB -0.339 37.625 38.000 -0.060 0.000 1.036 530 I HN 0.202 nan 8.210 nan 0.000 0.417 531 K N 0.598 121.000 120.400 0.003 0.000 2.286 531 K HA -0.199 4.125 4.320 0.006 0.000 0.203 531 K C 1.752 178.363 176.600 0.018 0.000 1.045 531 K CA 1.224 57.524 56.287 0.020 0.000 0.935 531 K CB -0.091 32.419 32.500 0.016 0.000 0.737 531 K HN 0.429 nan 8.250 nan 0.000 0.460 532 K N -0.119 120.284 120.400 0.006 0.000 2.352 532 K HA 0.118 4.442 4.320 0.006 0.000 0.194 532 K C 0.439 177.043 176.600 0.008 0.000 1.038 532 K CA -0.173 56.118 56.287 0.006 0.000 1.023 532 K CB 0.366 32.865 32.500 -0.002 0.000 0.840 532 K HN -0.039 nan 8.250 nan 0.000 0.519 533 L N 2.193 123.421 121.223 0.007 0.000 2.479 533 L HA 0.017 4.360 4.340 0.006 0.000 0.270 533 L C 1.004 177.885 176.870 0.019 0.000 1.236 533 L CA 0.728 55.575 54.840 0.011 0.000 0.823 533 L CB 0.448 42.514 42.059 0.011 0.000 1.098 533 L HN 0.200 nan 8.230 nan 0.000 0.500 534 S N 0.150 115.860 115.700 0.017 0.000 2.672 534 S HA 0.429 4.903 4.470 0.006 0.000 0.276 534 S C 0.994 175.607 174.600 0.020 0.000 1.207 534 S CA -0.203 58.007 58.200 0.017 0.000 1.002 534 S CB 1.446 64.652 63.200 0.011 0.000 0.998 534 S HN 0.664 nan 8.310 nan 0.000 0.542 535 A N 0.955 123.784 122.820 0.015 0.000 2.076 535 A HA -0.129 4.195 4.320 0.006 0.000 0.220 535 A C 2.105 179.697 177.584 0.013 0.000 1.160 535 A CA 1.849 53.894 52.037 0.013 0.000 0.653 535 A CB -0.767 18.234 19.000 0.002 0.000 0.801 535 A HN 0.927 nan 8.150 nan 0.000 0.455 536 K N -0.509 119.897 120.400 0.010 0.000 1.991 536 K HA -0.058 4.266 4.320 0.006 0.000 0.207 536 K C 2.241 178.853 176.600 0.020 0.000 1.045 536 K CA 1.410 57.701 56.287 0.007 0.000 0.937 536 K CB -0.211 32.290 32.500 0.002 0.000 0.720 536 K HN 0.377 nan 8.250 nan 0.000 0.438 537 S N 1.427 117.142 115.700 0.025 0.000 2.382 537 S HA -0.096 4.377 4.470 0.006 0.000 0.228 537 S C 1.875 176.512 174.600 0.061 0.000 1.027 537 S CA 1.109 59.332 58.200 0.039 0.000 0.991 537 S CB -0.237 62.981 63.200 0.030 0.000 0.823 537 S HN 0.250 nan 8.310 nan 0.000 0.469 538 L N 1.444 122.701 121.223 0.057 0.000 2.083 538 L HA -0.153 4.191 4.340 0.006 0.000 0.209 538 L C 2.202 179.129 176.870 0.095 0.000 1.083 538 L CA 1.175 56.063 54.840 0.080 0.000 0.752 538 L CB -0.657 41.443 42.059 0.069 0.000 0.899 538 L HN 0.400 nan 8.230 nan 0.000 0.433 539 N N -0.404 118.338 118.700 0.069 0.000 2.106 539 N HA -0.242 4.501 4.740 0.006 0.000 0.188 539 N C 1.783 177.355 175.510 0.103 0.000 1.029 539 N CA 1.040 54.131 53.050 0.070 0.000 0.848 539 N CB 0.028 38.533 38.487 0.029 0.000 1.007 539 N HN 0.222 nan 8.380 nan 0.000 0.423 540 E N 1.324 121.577 120.200 0.088 0.000 2.118 540 E HA -0.152 4.202 4.350 0.006 0.000 0.195 540 E C 1.821 178.529 176.600 0.179 0.000 0.992 540 E CA 1.381 57.855 56.400 0.122 0.000 0.804 540 E CB -0.075 29.676 29.700 0.085 0.000 0.741 540 E HN 0.333 nan 8.360 nan 0.000 0.458 541 M N -0.638 119.069 119.600 0.177 0.000 2.175 541 M HA -0.069 4.415 4.480 0.006 0.000 0.264 541 M C 2.073 178.468 176.300 0.158 0.000 1.063 541 M CA 0.830 56.280 55.300 0.250 0.000 1.119 541 M CB -0.166 32.633 32.600 0.331 0.000 1.377 541 M HN 0.236 nan 8.290 nan 0.000 0.415 542 L N 0.003 121.318 121.223 0.153 0.000 2.017 542 L HA -0.170 4.174 4.340 0.006 0.000 0.208 542 L C 2.189 179.074 176.870 0.026 0.000 1.073 542 L CA 1.831 56.733 54.840 0.104 0.000 0.745 542 L CB -0.835 41.289 42.059 0.108 0.000 0.894 542 L HN 0.206 nan 8.230 nan 0.000 0.432 543 F N 0.615 120.524 119.950 -0.068 0.000 2.069 543 F HA -0.240 4.290 4.527 0.005 0.000 0.298 543 F C 2.565 178.259 175.800 -0.176 0.000 1.113 543 F CA 1.897 59.837 58.000 -0.100 0.000 1.214 543 F CB -0.337 38.619 39.000 -0.073 0.000 0.978 543 F HN 0.025 nan 8.300 nan 0.000 0.474 544 R N 0.112 120.444 120.500 -0.279 0.000 2.120 544 R HA -0.104 4.239 4.340 0.006 0.000 0.234 544 R C 2.439 178.243 176.300 -0.827 0.000 1.123 544 R CA 1.085 56.854 56.100 -0.551 0.000 0.975 544 R CB -0.818 29.220 30.300 -0.436 0.000 0.866 544 R HN 0.419 nan 8.270 nan 0.000 0.446 545 A N 1.206 123.532 122.820 -0.824 0.000 1.873 545 A HA -0.212 4.112 4.320 0.006 0.000 0.215 545 A C 2.048 179.429 177.584 -0.339 0.000 1.186 545 A CA 1.196 52.879 52.037 -0.590 0.000 0.616 545 A CB -0.376 18.536 19.000 -0.147 0.000 0.823 545 A HN 0.303 nan 8.150 nan 0.000 0.442 546 Q N -1.092 118.524 119.800 -0.307 0.000 2.124 546 Q HA -0.118 4.225 4.340 0.006 0.000 0.202 546 Q C 2.243 178.055 176.000 -0.314 0.000 0.977 546 Q CA 1.009 56.660 55.803 -0.253 0.000 0.850 546 Q CB -0.111 28.502 28.738 -0.209 0.000 0.901 546 Q HN 0.357 nan 8.270 nan 0.000 0.429 547 R N -0.233 119.980 120.500 -0.477 0.000 2.148 547 R HA -0.026 4.318 4.340 0.006 0.000 0.227 547 R C 2.008 178.140 176.300 -0.280 0.000 1.103 547 R CA 1.095 56.935 56.100 -0.433 0.000 0.983 547 R CB -0.682 29.261 30.300 -0.595 0.000 0.874 547 R HN 0.250 nan 8.270 nan 0.000 0.451 548 T N 0.565 114.956 114.554 -0.272 0.000 2.857 548 T HA -0.087 4.267 4.350 0.006 0.000 0.266 548 T C 1.682 176.309 174.700 -0.121 0.000 1.048 548 T CA 1.034 63.033 62.100 -0.169 0.000 1.139 548 T CB 0.085 68.871 68.868 -0.136 0.000 0.874 548 T HN 0.373 nan 8.240 nan 0.000 0.455 549 E N 0.509 120.630 120.200 -0.132 0.000 2.051 549 E HA -0.117 4.237 4.350 0.006 0.000 0.192 549 E C 2.242 178.793 176.600 -0.082 0.000 0.991 549 E CA 0.986 57.331 56.400 -0.092 0.000 0.799 549 E CB -0.071 29.575 29.700 -0.090 0.000 0.748 549 E HN 0.191 nan 8.360 nan 0.000 0.449 550 V N 1.340 121.191 119.914 -0.104 0.000 2.287 550 V HA -0.320 3.804 4.120 0.006 0.000 0.248 550 V C 2.450 178.497 176.094 -0.079 0.000 1.053 550 V CA 1.961 64.211 62.300 -0.083 0.000 1.027 550 V CB -0.820 30.940 31.823 -0.106 0.000 0.646 550 V HN 0.453 nan 8.190 nan 0.000 0.447 551 A N 0.217 122.977 122.820 -0.100 0.000 1.940 551 A HA -0.111 4.212 4.320 0.006 0.000 0.219 551 A C 2.399 179.936 177.584 -0.078 0.000 1.176 551 A CA 2.042 54.022 52.037 -0.094 0.000 0.631 551 A CB -1.172 17.771 19.000 -0.094 0.000 0.814 551 A HN 0.544 nan 8.150 nan 0.000 0.446 552 G N -0.676 108.095 108.800 -0.049 0.000 2.414 552 G HA2 -0.188 3.775 3.960 0.006 0.000 0.215 552 G HA3 -0.188 3.775 3.960 0.006 0.000 0.215 552 G C 1.519 176.390 174.900 -0.048 0.000 1.188 552 G CA 1.534 46.625 45.100 -0.016 0.000 0.783 552 G HN 0.453 nan 8.290 nan 0.000 0.537 553 M N 1.221 120.793 119.600 -0.046 0.000 2.088 553 M HA -0.116 4.368 4.480 0.006 0.000 0.256 553 M C 2.491 178.768 176.300 -0.038 0.000 1.071 553 M CA 2.487 57.759 55.300 -0.046 0.000 1.097 553 M CB -1.165 31.418 32.600 -0.029 0.000 1.315 553 M HN 0.162 nan 8.290 nan 0.000 0.406 554 T N 0.720 115.267 114.554 -0.011 0.000 2.635 554 T HA -0.169 4.185 4.350 0.006 0.000 0.267 554 T C 1.771 176.436 174.700 -0.059 0.000 1.040 554 T CA 2.114 64.238 62.100 0.040 0.000 1.156 554 T CB -0.843 68.049 68.868 0.040 0.000 0.863 554 T HN 0.617 nan 8.240 nan 0.000 0.430 555 A N 1.140 123.866 122.820 -0.158 0.000 1.933 555 A HA -0.143 4.181 4.320 0.006 0.000 0.218 555 A C 2.307 179.776 177.584 -0.191 0.000 1.175 555 A CA 1.774 53.626 52.037 -0.308 0.000 0.628 555 A CB -0.554 18.031 19.000 -0.691 0.000 0.814 555 A HN 0.526 nan 8.150 nan 0.000 0.444 556 Q N -0.388 119.350 119.800 -0.104 0.000 2.089 556 Q HA -0.011 4.333 4.340 0.006 0.000 0.195 556 Q C 2.054 178.007 176.000 -0.078 0.000 0.963 556 Q CA 1.372 57.139 55.803 -0.060 0.000 0.834 556 Q CB -0.273 28.434 28.738 -0.052 0.000 0.906 556 Q HN 0.616 nan 8.270 nan 0.000 0.452 557 I N 1.562 122.062 120.570 -0.116 0.000 2.454 557 I HA -0.243 3.930 4.170 0.006 0.000 0.254 557 I C 1.433 177.485 176.117 -0.108 0.000 1.156 557 I CA 0.948 62.121 61.300 -0.212 0.000 1.433 557 I CB -0.029 37.720 38.000 -0.418 0.000 1.082 557 I HN 0.228 nan 8.210 nan 0.000 0.432 558 N N 0.531 119.223 118.700 -0.014 0.000 2.416 558 N HA -0.043 4.700 4.740 0.006 0.000 0.177 558 N C 1.705 177.217 175.510 0.004 0.000 1.036 558 N CA 0.606 53.684 53.050 0.047 0.000 0.901 558 N CB -0.015 38.396 38.487 -0.126 0.000 0.976 558 N HN 0.418 nan 8.380 nan 0.000 0.444 559 R N 0.970 121.455 120.500 -0.025 0.000 2.161 559 R HA 0.032 4.376 4.340 0.006 0.000 0.213 559 R C 2.096 178.444 176.300 0.079 0.000 1.055 559 R CA 0.596 56.695 56.100 -0.001 0.000 0.996 559 R CB 0.090 30.377 30.300 -0.023 0.000 0.901 559 R HN 0.165 nan 8.270 nan 0.000 0.456 560 K N 1.090 121.527 120.400 0.061 0.000 2.057 560 K HA -0.140 4.184 4.320 0.006 0.000 0.206 560 K C 2.035 178.713 176.600 0.129 0.000 1.050 560 K CA 0.964 57.301 56.287 0.084 0.000 0.935 560 K CB -0.065 32.442 32.500 0.012 0.000 0.715 560 K HN 0.027 nan 8.250 nan 0.000 0.439 561 L N 1.476 122.796 121.223 0.161 0.000 2.042 561 L HA -0.149 4.194 4.340 0.006 0.000 0.210 561 L C 2.117 179.132 176.870 0.241 0.000 1.076 561 L CA 1.405 56.395 54.840 0.249 0.000 0.749 561 L CB -0.673 41.616 42.059 0.384 0.000 0.893 561 L HN 0.291 nan 8.230 nan 0.000 0.432 562 L N 0.079 121.444 121.223 0.237 0.000 1.989 562 L HA -0.195 4.148 4.340 0.006 0.000 0.211 562 L C 2.438 179.639 176.870 0.552 0.000 1.071 562 L CA 2.389 57.433 54.840 0.341 0.000 0.749 562 L CB -0.689 41.481 42.059 0.186 0.000 0.890 562 L HN 0.524 nan 8.230 nan 0.000 0.431 563 I N -3.487 117.337 120.570 0.424 0.000 2.353 563 I HA -0.199 3.974 4.170 0.006 0.000 0.248 563 I C 1.967 178.173 176.117 0.147 0.000 1.119 563 I CA 1.825 63.323 61.300 0.331 0.000 1.417 563 I CB -0.881 37.277 38.000 0.264 0.000 1.078 563 I HN 0.325 nan 8.210 nan 0.000 0.421 564 N N 1.063 119.864 118.700 0.169 0.000 2.309 564 N HA -0.098 4.645 4.740 0.006 0.000 0.182 564 N C 1.821 177.444 175.510 0.188 0.000 1.018 564 N CA 1.111 54.262 53.050 0.167 0.000 0.876 564 N CB 0.023 38.587 38.487 0.128 0.000 0.972 564 N HN 0.332 nan 8.380 nan 0.000 0.434 565 S N 0.809 116.607 115.700 0.163 0.000 2.453 565 S HA -0.025 4.448 4.470 0.006 0.000 0.231 565 S C 1.709 176.245 174.600 -0.107 0.000 1.005 565 S CA 0.300 58.558 58.200 0.096 0.000 0.949 565 S CB -0.027 63.294 63.200 0.202 0.000 0.774 565 S HN 0.250 nan 8.310 nan 0.000 0.510 566 L N 1.109 122.155 121.223 -0.294 0.000 2.109 566 L HA -0.001 4.342 4.340 0.006 0.000 0.207 566 L C 1.949 178.592 176.870 -0.379 0.000 1.086 566 L CA 1.634 56.014 54.840 -0.767 0.000 0.760 566 L CB -1.022 40.191 42.059 -1.410 0.000 0.910 566 L HN 0.407 nan 8.230 nan 0.000 0.437 567 Y N 0.264 120.437 120.300 -0.212 0.000 2.145 567 Y HA -0.038 4.516 4.550 0.006 0.000 0.286 567 Y C 2.236 178.126 175.900 -0.016 0.000 1.145 567 Y CA 1.704 59.761 58.100 -0.072 0.000 1.148 567 Y CB -1.118 37.391 38.460 0.082 0.000 0.981 567 Y HN 0.125 nan 8.280 nan 0.000 0.507 568 G N 0.318 108.727 108.800 -0.651 0.000 2.422 568 G HA2 -0.258 3.706 3.960 0.006 0.000 0.218 568 G HA3 -0.258 3.706 3.960 0.006 0.000 0.218 568 G C 1.854 176.534 174.900 -0.365 0.000 1.146 568 G CA 1.168 45.909 45.100 -0.599 0.000 0.769 568 G HN 0.700 nan 8.290 nan 0.000 0.547 569 A N 0.575 123.155 122.820 -0.401 0.000 1.978 569 A HA 0.040 4.363 4.320 0.006 0.000 0.220 569 A C 2.369 179.833 177.584 -0.200 0.000 1.170 569 A CA 1.262 52.965 52.037 -0.556 0.000 0.636 569 A CB -0.354 17.822 19.000 -1.374 0.000 0.810 569 A HN 0.385 nan 8.150 nan 0.000 0.448 570 L N -1.070 120.080 121.223 -0.121 0.000 2.275 570 L HA -0.080 4.263 4.340 0.006 0.000 0.215 570 L C 2.329 179.190 176.870 -0.015 0.000 1.119 570 L CA 0.870 55.748 54.840 0.064 0.000 0.790 570 L CB -0.288 41.741 42.059 -0.049 0.000 0.919 570 L HN 0.488 nan 8.230 nan 0.000 0.443 571 G N -1.275 107.491 108.800 -0.056 0.000 3.284 571 G HA2 -0.053 3.910 3.960 0.006 0.000 0.236 571 G HA3 -0.053 3.910 3.960 0.006 0.000 0.236 571 G C 0.249 175.351 174.900 0.335 0.000 1.158 571 G CA -0.225 44.918 45.100 0.071 0.000 0.774 571 G HN 0.148 nan 8.290 nan 0.000 0.545 572 N N 1.016 119.908 118.700 0.319 0.000 2.407 572 N HA 0.112 4.856 4.740 0.006 0.000 0.277 572 N C 1.661 177.134 175.510 -0.063 0.000 0.995 572 N CA -0.324 52.819 53.050 0.155 0.000 0.903 572 N CB 2.348 40.915 38.487 0.132 0.000 1.218 572 N HN -0.044 nan 8.380 nan 0.000 0.487 573 V N 2.268 121.846 119.914 -0.560 0.000 2.660 573 V HA -0.137 3.986 4.120 0.006 0.000 0.257 573 V C 1.240 177.025 176.094 -0.514 0.000 1.088 573 V CA 1.187 62.925 62.300 -0.937 0.000 1.106 573 V CB -0.876 30.434 31.823 -0.855 0.000 0.686 573 V HN 0.665 nan 8.190 nan 0.000 0.481 574 W N -1.210 120.072 121.300 -0.030 0.000 3.047 574 W HA 0.369 5.032 4.660 0.006 0.000 0.250 574 W C 0.926 177.551 176.519 0.176 0.000 1.314 574 W CA -0.659 56.718 57.345 0.053 0.000 1.540 574 W CB -0.081 29.401 29.460 0.037 0.000 1.127 574 W HN 0.204 nan 8.180 nan 0.000 0.679 575 F N 2.168 122.225 119.950 0.179 0.000 2.438 575 F HA 0.203 4.734 4.527 0.006 0.000 0.356 575 F C 1.856 177.725 175.800 0.116 0.000 1.099 575 F CA -1.327 56.782 58.000 0.183 0.000 1.185 575 F CB 0.656 39.779 39.000 0.206 0.000 1.115 575 F HN -0.180 nan 8.300 nan 0.000 0.526 576 R N 3.809 124.165 120.500 -0.241 0.000 2.154 576 R HA -0.222 4.121 4.340 0.006 0.000 0.248 576 R C 0.171 176.006 176.300 -0.776 0.000 1.155 576 R CA 1.879 57.654 56.100 -0.540 0.000 0.979 576 R CB -0.277 29.576 30.300 -0.745 0.000 0.869 576 R HN 0.705 nan 8.270 nan 0.000 0.452 577 Y N -0.848 119.031 120.300 -0.701 0.000 2.756 577 Y HA 0.123 4.677 4.550 0.006 0.000 0.300 577 Y C -0.437 175.421 175.900 -0.069 0.000 1.113 577 Y CA -0.989 56.885 58.100 -0.376 0.000 1.291 577 Y CB -0.366 37.823 38.460 -0.451 0.000 1.175 577 Y HN 0.042 nan 8.280 nan 0.000 0.534 578 Y N 2.097 122.398 120.300 0.001 0.000 2.610 578 Y HA 0.230 4.783 4.550 0.006 0.000 0.332 578 Y C -0.091 175.746 175.900 -0.104 0.000 1.201 578 Y CA 0.406 58.518 58.100 0.019 0.000 1.465 578 Y CB 0.545 38.945 38.460 -0.100 0.000 1.283 578 Y HN 0.233 nan 8.280 nan 0.000 0.563 579 D N 6.159 126.090 120.400 -0.781 0.000 2.251 579 D HA 0.034 4.678 4.640 0.006 0.000 0.210 579 D C -0.328 175.583 176.300 -0.648 0.000 1.304 579 D CA -0.422 53.158 54.000 -0.700 0.000 0.912 579 D CB 0.833 41.473 40.800 -0.268 0.000 1.553 579 D HN 0.602 nan 8.370 nan 0.000 0.526 580 L N 3.132 123.889 121.223 -0.776 0.000 2.261 580 L HA -0.008 4.335 4.340 0.006 0.000 0.216 580 L C 2.378 179.034 176.870 -0.356 0.000 1.114 580 L CA 1.449 55.946 54.840 -0.571 0.000 0.777 580 L CB -0.396 41.408 42.059 -0.425 0.000 0.910 580 L HN 0.382 nan 8.230 nan 0.000 0.440 581 R N -1.056 119.284 120.500 -0.267 0.000 2.092 581 R HA -0.088 4.256 4.340 0.006 0.000 0.231 581 R C 1.832 178.074 176.300 -0.096 0.000 1.119 581 R CA 1.130 57.133 56.100 -0.162 0.000 0.970 581 R CB -0.280 29.935 30.300 -0.142 0.000 0.864 581 R HN 0.414 nan 8.270 nan 0.000 0.440 582 N N 0.718 119.356 118.700 -0.103 0.000 2.250 582 N HA -0.029 4.715 4.740 0.006 0.000 0.181 582 N C 1.642 177.100 175.510 -0.087 0.000 1.017 582 N CA 1.244 54.271 53.050 -0.038 0.000 0.866 582 N CB -0.219 38.252 38.487 -0.028 0.000 0.985 582 N HN 0.165 nan 8.380 nan 0.000 0.429 583 A N 0.412 123.129 122.820 -0.173 0.000 1.902 583 A HA -0.099 4.224 4.320 0.006 0.000 0.217 583 A C 2.288 179.844 177.584 -0.046 0.000 1.181 583 A CA 1.893 53.857 52.037 -0.122 0.000 0.623 583 A CB -1.029 17.670 19.000 -0.501 0.000 0.818 583 A HN 0.272 nan 8.150 nan 0.000 0.443 584 T N 0.102 114.575 114.554 -0.136 0.000 2.915 584 T HA 0.085 4.439 4.350 0.006 0.000 0.269 584 T C 2.146 176.834 174.700 -0.019 0.000 1.071 584 T CA 1.179 63.268 62.100 -0.019 0.000 1.132 584 T CB -0.319 68.527 68.868 -0.038 0.000 0.878 584 T HN 0.579 nan 8.240 nan 0.000 0.479 585 A N 1.267 124.065 122.820 -0.037 0.000 1.902 585 A HA -0.014 4.310 4.320 0.006 0.000 0.217 585 A C 2.223 179.761 177.584 -0.077 0.000 1.181 585 A CA 1.122 53.150 52.037 -0.016 0.000 0.623 585 A CB -0.672 18.356 19.000 0.047 0.000 0.818 585 A HN 0.511 nan 8.150 nan 0.000 0.443 586 I N 0.102 120.572 120.570 -0.167 0.000 2.133 586 I HA -0.240 3.933 4.170 0.006 0.000 0.238 586 I C 2.953 178.797 176.117 -0.456 0.000 1.074 586 I CA 1.939 63.025 61.300 -0.357 0.000 1.342 586 I CB -0.797 36.942 38.000 -0.435 0.000 1.053 586 I HN 0.538 nan 8.210 nan 0.000 0.404 587 T N -2.121 112.214 114.554 -0.365 0.000 2.746 587 T HA -0.155 4.198 4.350 0.006 0.000 0.267 587 T C 1.803 176.464 174.700 -0.067 0.000 1.039 587 T CA 1.931 63.872 62.100 -0.264 0.000 1.142 587 T CB -0.971 67.928 68.868 0.051 0.000 0.866 587 T HN 0.248 nan 8.240 nan 0.000 0.444 588 T N 1.287 115.835 114.554 -0.011 0.000 2.777 588 T HA 0.046 4.400 4.350 0.006 0.000 0.266 588 T C 1.365 176.071 174.700 0.009 0.000 1.040 588 T CA 1.155 63.265 62.100 0.018 0.000 1.141 588 T CB -0.662 68.215 68.868 0.014 0.000 0.868 588 T HN 0.408 nan 8.240 nan 0.000 0.444 589 F N 2.116 121.978 119.950 -0.146 0.000 2.171 589 F HA 0.014 4.544 4.527 0.006 0.000 0.300 589 F C 2.335 178.060 175.800 -0.124 0.000 1.090 589 F CA 1.165 59.070 58.000 -0.157 0.000 1.293 589 F CB -0.699 38.176 39.000 -0.207 0.000 1.013 589 F HN 0.174 nan 8.300 nan 0.000 0.486 590 G N -0.586 108.256 108.800 0.071 0.000 2.421 590 G HA2 -0.251 3.712 3.960 0.006 0.000 0.216 590 G HA3 -0.251 3.712 3.960 0.006 0.000 0.216 590 G C 1.521 176.463 174.900 0.069 0.000 1.171 590 G CA 0.709 45.852 45.100 0.073 0.000 0.775 590 G HN 0.415 nan 8.290 nan 0.000 0.543 591 Q N -0.737 119.100 119.800 0.061 0.000 2.084 591 Q HA -0.089 4.255 4.340 0.006 0.000 0.202 591 Q C 2.460 178.444 176.000 -0.027 0.000 0.978 591 Q CA 1.396 57.241 55.803 0.070 0.000 0.844 591 Q CB -0.220 28.563 28.738 0.075 0.000 0.898 591 Q HN 0.596 nan 8.270 nan 0.000 0.426 592 M N 0.123 119.674 119.600 -0.082 0.000 2.059 592 M HA -0.181 4.303 4.480 0.006 0.000 0.259 592 M C 2.192 178.466 176.300 -0.044 0.000 1.072 592 M CA 1.843 57.085 55.300 -0.097 0.000 1.117 592 M CB -0.233 32.221 32.600 -0.242 0.000 1.320 592 M HN 0.193 nan 8.290 nan 0.000 0.408 593 A N 1.169 123.877 122.820 -0.186 0.000 1.903 593 A HA -0.237 4.087 4.320 0.006 0.000 0.219 593 A C 2.206 179.969 177.584 0.298 0.000 1.191 593 A CA 2.008 54.064 52.037 0.031 0.000 0.638 593 A CB -1.460 17.491 19.000 -0.082 0.000 0.823 593 A HN 0.704 nan 8.150 nan 0.000 0.451 594 L N -0.551 120.791 121.223 0.199 0.000 2.017 594 L HA -0.235 4.108 4.340 0.006 0.000 0.208 594 L C 2.465 179.441 176.870 0.177 0.000 1.073 594 L CA 2.639 57.616 54.840 0.229 0.000 0.745 594 L CB -1.032 41.164 42.059 0.228 0.000 0.894 594 L HN 0.564 nan 8.230 nan 0.000 0.432 595 Q N -1.290 118.560 119.800 0.083 0.000 2.172 595 Q HA -0.223 4.120 4.340 0.006 0.000 0.200 595 Q C 1.943 177.987 176.000 0.074 0.000 0.964 595 Q CA 1.485 57.289 55.803 0.002 0.000 0.855 595 Q CB -0.265 28.357 28.738 -0.194 0.000 0.918 595 Q HN 0.663 nan 8.270 nan 0.000 0.444 596 W N 1.034 122.305 121.300 -0.048 0.000 2.335 596 W HA -0.200 4.463 4.660 0.006 0.000 0.311 596 W C 1.532 177.973 176.519 -0.129 0.000 1.213 596 W CA 1.035 58.347 57.345 -0.056 0.000 1.274 596 W CB -0.215 29.235 29.460 -0.017 0.000 1.148 596 W HN 0.152 nan 8.180 nan 0.000 0.498 597 I N 1.446 122.090 120.570 0.124 0.000 3.291 597 I HA -0.156 4.017 4.170 0.006 0.000 0.279 597 I C 2.399 178.439 176.117 -0.129 0.000 1.294 597 I CA 1.464 62.663 61.300 -0.168 0.000 1.428 597 I CB -0.645 37.156 38.000 -0.332 0.000 1.070 597 I HN 0.109 nan 8.210 nan 0.000 0.478 598 E N 0.461 120.632 120.200 -0.049 0.000 2.033 598 E HA -0.243 4.111 4.350 0.006 0.000 0.189 598 E C 2.413 178.965 176.600 -0.080 0.000 0.979 598 E CA 0.558 56.938 56.400 -0.032 0.000 0.802 598 E CB -0.171 29.538 29.700 0.015 0.000 0.763 598 E HN 0.403 nan 8.360 nan 0.000 0.449 599 R N 0.626 121.048 120.500 -0.129 0.000 2.094 599 R HA -0.183 4.161 4.340 0.006 0.000 0.239 599 R C 2.291 178.470 176.300 -0.202 0.000 1.137 599 R CA 1.902 57.898 56.100 -0.173 0.000 0.943 599 R CB -0.030 30.113 30.300 -0.262 0.000 0.850 599 R HN -0.008 nan 8.270 nan 0.000 0.433 600 K N 0.227 120.449 120.400 -0.297 0.000 1.969 600 K HA -0.133 4.190 4.320 0.006 0.000 0.216 600 K C 2.141 178.638 176.600 -0.171 0.000 1.048 600 K CA 1.596 57.718 56.287 -0.276 0.000 0.948 600 K CB -0.948 31.341 32.500 -0.352 0.000 0.726 600 K HN 0.128 nan 8.250 nan 0.000 0.442 601 V N 2.753 122.557 119.914 -0.182 0.000 2.370 601 V HA -0.267 3.856 4.120 0.006 0.000 0.252 601 V C 2.003 178.065 176.094 -0.053 0.000 1.068 601 V CA 1.825 64.032 62.300 -0.155 0.000 1.061 601 V CB -0.567 31.144 31.823 -0.186 0.000 0.656 601 V HN 0.330 nan 8.190 nan 0.000 0.455 602 N N -0.466 118.232 118.700 -0.003 0.000 2.396 602 N HA -0.101 4.643 4.740 0.006 0.000 0.180 602 N C 1.767 177.333 175.510 0.094 0.000 1.028 602 N CA 0.956 54.074 53.050 0.113 0.000 0.893 602 N CB 0.006 38.550 38.487 0.096 0.000 0.967 602 N HN 0.655 nan 8.380 nan 0.000 0.440 603 E N -0.522 119.683 120.200 0.008 0.000 2.024 603 E HA -0.137 4.217 4.350 0.006 0.000 0.190 603 E C 1.527 178.128 176.600 0.002 0.000 0.974 603 E CA 0.472 56.869 56.400 -0.004 0.000 0.810 603 E CB -0.371 29.297 29.700 -0.054 0.000 0.775 603 E HN 0.311 nan 8.360 nan 0.000 0.453 604 Y N 1.885 122.107 120.300 -0.130 0.000 2.228 604 Y HA -0.244 4.309 4.550 0.005 0.000 0.285 604 Y C 1.816 177.617 175.900 -0.166 0.000 1.178 604 Y CA 1.393 59.410 58.100 -0.138 0.000 1.202 604 Y CB -0.095 38.264 38.460 -0.169 0.000 0.974 604 Y HN -0.027 nan 8.280 nan 0.000 0.527 605 L N -0.422 120.716 121.223 -0.142 0.000 2.162 605 L HA -0.142 4.202 4.340 0.006 0.000 0.205 605 L C 2.189 178.870 176.870 -0.315 0.000 1.086 605 L CA 0.810 55.342 54.840 -0.513 0.000 0.778 605 L CB -0.539 40.761 42.059 -1.265 0.000 0.928 605 L HN 0.195 nan 8.230 nan 0.000 0.446 606 N N 0.112 118.849 118.700 0.062 0.000 2.244 606 N HA -0.208 4.536 4.740 0.006 0.000 0.183 606 N C 1.657 177.193 175.510 0.044 0.000 1.016 606 N CA 1.125 54.325 53.050 0.249 0.000 0.866 606 N CB 0.119 38.727 38.487 0.201 0.000 0.980 606 N HN 0.427 nan 8.380 nan 0.000 0.430 607 E N 0.642 120.800 120.200 -0.069 0.000 1.999 607 E HA -0.111 4.243 4.350 0.006 0.000 0.194 607 E C 1.867 178.368 176.600 -0.164 0.000 0.995 607 E CA 1.170 57.498 56.400 -0.119 0.000 0.825 607 E CB 0.010 29.611 29.700 -0.164 0.000 0.777 607 E HN -0.083 nan 8.360 nan 0.000 0.459 608 V N 1.395 121.116 119.914 -0.323 0.000 2.217 608 V HA -0.403 3.720 4.120 0.006 0.000 0.248 608 V C 2.701 178.714 176.094 -0.135 0.000 1.050 608 V CA 2.002 64.126 62.300 -0.294 0.000 1.007 608 V CB -0.972 30.562 31.823 -0.481 0.000 0.639 608 V HN 0.714 nan 8.190 nan 0.000 0.452 609 C N -0.016 119.224 119.300 -0.100 0.000 2.382 609 C HA -0.167 4.296 4.460 0.006 0.000 0.274 609 C C 2.399 177.406 174.990 0.029 0.000 1.180 609 C CA 1.930 60.957 59.018 0.015 0.000 1.799 609 C CB -1.236 26.608 27.740 0.174 0.000 2.094 609 C HN 1.071 nan 8.230 nan 0.000 0.468 610 G N -2.184 106.631 108.800 0.024 0.000 2.612 610 G HA2 -0.173 3.791 3.960 0.006 0.000 0.200 610 G HA3 -0.173 3.791 3.960 0.006 0.000 0.200 610 G C 0.562 175.483 174.900 0.035 0.000 1.053 610 G CA 0.571 45.681 45.100 0.016 0.000 0.707 610 G HN 0.703 nan 8.290 nan 0.000 0.497 611 T N 1.268 115.864 114.554 0.070 0.000 2.589 611 T HA 0.479 4.833 4.350 0.006 0.000 0.342 611 T C -0.522 174.209 174.700 0.053 0.000 1.044 611 T CA 0.744 62.876 62.100 0.053 0.000 1.020 611 T CB 0.493 69.389 68.868 0.047 0.000 1.070 611 T HN 0.255 nan 8.240 nan 0.000 0.524 612 E N -0.300 119.915 120.200 0.026 0.000 2.274 612 E HA 0.437 4.791 4.350 0.006 0.000 0.269 612 E C 0.352 176.953 176.600 0.003 0.000 0.891 612 E CA 0.193 56.605 56.400 0.020 0.000 0.784 612 E CB 1.317 31.020 29.700 0.004 0.000 1.225 612 E HN 0.945 nan 8.360 nan 0.000 0.412 613 G N 3.100 111.906 108.800 0.010 0.000 2.159 613 G HA2 -0.287 3.677 3.960 0.006 0.000 0.256 613 G HA3 -0.287 3.677 3.960 0.006 0.000 0.256 613 G C 0.241 175.118 174.900 -0.037 0.000 0.977 613 G CA 0.629 45.723 45.100 -0.010 0.000 0.652 613 G HN 0.368 nan 8.290 nan 0.000 0.531 614 E N 0.944 121.105 120.200 -0.064 0.000 2.194 614 E HA 0.646 5.000 4.350 0.006 0.000 0.284 614 E C 0.577 177.016 176.600 -0.269 0.000 1.035 614 E CA 0.261 56.536 56.400 -0.207 0.000 0.836 614 E CB 0.678 30.171 29.700 -0.346 0.000 1.070 614 E HN 0.971 nan 8.360 nan 0.000 0.401 615 A N 5.333 128.027 122.820 -0.211 0.000 2.395 615 A HA 0.249 4.573 4.320 0.006 0.000 0.286 615 A C -0.097 177.374 177.584 -0.188 0.000 1.193 615 A CA -0.207 51.758 52.037 -0.119 0.000 0.852 615 A CB -0.380 18.585 19.000 -0.059 0.000 1.118 615 A HN 0.794 nan 8.150 nan 0.000 0.524 616 F N 2.214 122.178 119.950 0.023 0.000 2.446 616 F HA 0.061 4.592 4.527 0.006 0.000 0.292 616 F C 1.091 176.903 175.800 0.020 0.000 1.096 616 F CA 0.530 58.555 58.000 0.042 0.000 1.438 616 F CB 0.246 39.282 39.000 0.060 0.000 1.107 616 F HN 0.283 nan 8.300 nan 0.000 0.546 617 V N 4.735 124.757 119.914 0.180 0.000 2.370 617 V HA 0.007 4.131 4.120 0.006 0.000 0.257 617 V C 1.177 177.262 176.094 -0.014 0.000 1.064 617 V CA -0.253 62.099 62.300 0.086 0.000 0.975 617 V CB 0.401 32.269 31.823 0.074 0.000 1.067 617 V HN 0.188 nan 8.190 nan 0.000 0.485 618 L N 3.543 124.689 121.223 -0.128 0.000 2.375 618 L HA 0.340 4.684 4.340 0.006 0.000 0.215 618 L C 0.273 176.943 176.870 -0.332 0.000 1.108 618 L CA 1.158 55.809 54.840 -0.316 0.000 0.830 618 L CB -1.147 40.490 42.059 -0.703 0.000 0.959 618 L HN 0.561 nan 8.230 nan 0.000 0.457 619 Y N -0.235 119.823 120.300 -0.404 0.000 2.689 619 Y HA 0.653 5.206 4.550 0.006 0.000 0.333 619 Y C -0.959 174.930 175.900 -0.019 0.000 1.208 619 Y CA -0.335 57.556 58.100 -0.348 0.000 1.055 619 Y CB 1.656 39.625 38.460 -0.817 0.000 1.304 619 Y HN 0.061 nan 8.280 nan 0.000 0.455 620 G N 2.144 110.435 108.800 -0.848 0.000 2.667 620 G HA2 0.443 4.406 3.960 0.006 0.000 0.294 620 G HA3 0.443 4.406 3.960 0.006 0.000 0.294 620 G C -2.717 171.762 174.900 -0.700 0.000 1.467 620 G CA -0.635 44.191 45.100 -0.457 0.000 0.852 620 G HN 0.534 nan 8.290 nan 0.000 0.521 621 D N 0.129 120.375 120.400 -0.256 0.000 2.478 621 D HA 0.518 5.162 4.640 0.006 0.000 0.240 621 D C 1.095 177.411 176.300 0.026 0.000 1.364 621 D CA 0.762 54.677 54.000 -0.142 0.000 0.987 621 D CB 1.131 41.931 40.800 -0.000 0.000 1.328 621 D HN 0.563 nan 8.370 nan 0.000 0.584 622 T N 2.557 117.146 114.554 0.058 0.000 13.132 622 T HA -0.293 4.061 4.350 0.006 0.000 0.419 622 T C 0.532 175.321 174.700 0.149 0.000 1.442 622 T CA 2.028 64.203 62.100 0.124 0.000 2.366 622 T CB -1.128 67.782 68.868 0.070 0.000 2.813 622 T HN 0.647 nan 8.240 nan 0.000 0.650 623 D N 0.746 121.215 120.400 0.115 0.000 2.651 623 D HA 0.460 5.104 4.640 0.006 0.000 0.280 623 D C -0.466 175.907 176.300 0.122 0.000 1.496 623 D CA -0.136 53.937 54.000 0.121 0.000 0.792 623 D CB 0.276 41.124 40.800 0.080 0.000 1.144 623 D HN 0.440 nan 8.370 nan 0.000 0.470 624 S N 0.246 116.020 115.700 0.123 0.000 2.548 624 S HA 0.777 5.250 4.470 0.006 0.000 0.286 624 S C -0.400 174.268 174.600 0.113 0.000 1.098 624 S CA -0.893 57.373 58.200 0.112 0.000 0.930 624 S CB 1.812 65.090 63.200 0.130 0.000 1.070 624 S HN 0.361 nan 8.310 nan 0.000 0.480 625 I N -0.646 119.969 120.570 0.075 0.000 2.582 625 I HA 0.621 4.794 4.170 0.006 0.000 0.292 625 I C -1.930 174.205 176.117 0.030 0.000 1.066 625 I CA -0.975 60.395 61.300 0.117 0.000 1.053 625 I CB 1.428 39.502 38.000 0.124 0.000 1.241 625 I HN 0.467 nan 8.210 nan 0.000 0.421 626 Y N 4.917 125.290 120.300 0.121 0.000 2.369 626 Y HA 0.561 5.115 4.550 0.006 0.000 0.337 626 Y C -0.027 175.914 175.900 0.069 0.000 0.961 626 Y CA -0.801 57.373 58.100 0.124 0.000 1.186 626 Y CB 1.803 40.325 38.460 0.104 0.000 1.139 626 Y HN 0.339 nan 8.280 nan 0.000 0.494 627 V N 2.709 122.776 119.914 0.255 0.000 2.427 627 V HA 0.265 4.388 4.120 0.006 0.000 0.286 627 V C 0.287 176.544 176.094 0.273 0.000 1.034 627 V CA -0.894 61.562 62.300 0.260 0.000 0.893 627 V CB 1.647 33.663 31.823 0.321 0.000 0.982 627 V HN 0.770 nan 8.190 nan 0.000 0.452 628 S N 3.476 119.328 115.700 0.253 0.000 2.510 628 S HA 0.438 4.911 4.470 0.006 0.000 0.279 628 S C 0.792 175.611 174.600 0.365 0.000 1.284 628 S CA 0.095 58.464 58.200 0.282 0.000 1.059 628 S CB 0.779 64.116 63.200 0.227 0.000 0.901 628 S HN 1.046 nan 8.310 nan 0.000 0.491 629 A N 4.456 127.484 122.820 0.346 0.000 2.630 629 A HA 0.268 4.591 4.320 0.006 0.000 0.290 629 A C 1.219 178.920 177.584 0.195 0.000 1.267 629 A CA -0.376 51.846 52.037 0.308 0.000 0.950 629 A CB -0.047 19.140 19.000 0.313 0.000 1.144 629 A HN 0.835 nan 8.150 nan 0.000 0.527 630 D N 1.104 121.623 120.400 0.198 0.000 2.077 630 D HA -0.149 4.495 4.640 0.006 0.000 0.193 630 D C 1.480 177.803 176.300 0.039 0.000 0.989 630 D CA 1.339 55.377 54.000 0.063 0.000 0.831 630 D CB -0.062 40.814 40.800 0.126 0.000 0.979 630 D HN 0.445 nan 8.370 nan 0.000 0.449 631 K N 0.442 120.923 120.400 0.135 0.000 2.211 631 K HA -0.061 4.263 4.320 0.006 0.000 0.204 631 K C 2.180 178.855 176.600 0.124 0.000 1.047 631 K CA 0.528 56.899 56.287 0.141 0.000 0.935 631 K CB -0.038 32.606 32.500 0.240 0.000 0.728 631 K HN 0.225 nan 8.250 nan 0.000 0.452 632 I N 0.690 121.343 120.570 0.138 0.000 2.830 632 I HA -0.169 4.005 4.170 0.006 0.000 0.263 632 I C 1.590 177.766 176.117 0.098 0.000 1.230 632 I CA 0.616 61.945 61.300 0.049 0.000 1.480 632 I CB -0.006 38.025 38.000 0.051 0.000 1.095 632 I HN 0.119 nan 8.210 nan 0.000 0.455 633 I N -0.227 120.379 120.570 0.060 0.000 3.854 633 I HA -0.039 4.134 4.170 0.006 0.000 0.312 633 I C 1.670 177.799 176.117 0.019 0.000 1.273 633 I CA 0.854 62.198 61.300 0.073 0.000 1.298 633 I CB -0.667 37.134 38.000 -0.332 0.000 1.071 633 I HN 0.174 nan 8.210 nan 0.000 0.428 634 D N 1.231 121.626 120.400 -0.009 0.000 2.162 634 D HA -0.128 4.516 4.640 0.006 0.000 0.203 634 D C 1.770 178.064 176.300 -0.011 0.000 0.967 634 D CA 0.783 54.774 54.000 -0.016 0.000 0.840 634 D CB 0.264 41.062 40.800 -0.003 0.000 0.972 634 D HN 0.004 nan 8.370 nan 0.000 0.482 635 K N 0.428 120.833 120.400 0.008 0.000 2.519 635 K HA -0.024 4.300 4.320 0.006 0.000 0.196 635 K C 1.258 177.833 176.600 -0.040 0.000 1.041 635 K CA 0.332 56.613 56.287 -0.009 0.000 0.954 635 K CB 0.099 32.596 32.500 -0.004 0.000 0.774 635 K HN 0.012 nan 8.250 nan 0.000 0.480 636 V N -1.964 117.919 119.914 -0.052 0.000 3.426 636 V HA 0.278 4.402 4.120 0.006 0.000 0.271 636 V C 0.511 176.494 176.094 -0.185 0.000 1.530 636 V CA 0.057 62.263 62.300 -0.157 0.000 1.021 636 V CB 0.189 31.864 31.823 -0.246 0.000 0.824 636 V HN 0.345 nan 8.190 nan 0.000 0.432 637 G N 1.854 110.602 108.800 -0.087 0.000 3.087 637 G HA2 -0.254 3.710 3.960 0.006 0.000 0.680 637 G HA3 -0.254 3.710 3.960 0.006 0.000 0.680 637 G C -0.128 174.730 174.900 -0.069 0.000 1.626 637 G CA 0.088 45.145 45.100 -0.073 0.000 1.157 637 G HN 0.319 nan 8.290 nan 0.000 0.599 638 E N 1.179 121.384 120.200 0.008 0.000 2.037 638 E HA 0.273 4.627 4.350 0.006 0.000 0.253 638 E C 0.836 177.419 176.600 -0.028 0.000 1.265 638 E CA 0.969 57.439 56.400 0.116 0.000 0.972 638 E CB -0.273 29.475 29.700 0.081 0.000 1.054 638 E HN 0.476 nan 8.360 nan 0.000 0.432 639 S N 3.852 119.408 115.700 -0.239 0.000 4.002 639 S HA 0.034 4.508 4.470 0.006 0.000 0.167 639 S C 0.335 174.693 174.600 -0.404 0.000 0.914 639 S CA -0.213 57.818 58.200 -0.282 0.000 1.110 639 S CB -0.065 62.961 63.200 -0.290 0.000 1.714 639 S HN 0.537 nan 8.310 nan 0.000 0.858 640 K N 1.927 121.946 120.400 -0.635 0.000 3.319 640 K HA 0.124 4.447 4.320 0.006 0.000 0.296 640 K C -1.156 174.928 176.600 -0.860 0.000 0.916 640 K CA 0.446 56.388 56.287 -0.575 0.000 1.103 640 K CB -1.169 31.036 32.500 -0.492 0.000 1.142 640 K HN 0.285 nan 8.250 nan 0.000 0.416 641 F N 0.696 120.387 119.950 -0.432 0.000 2.434 641 F HA 0.361 4.890 4.527 0.004 0.000 0.355 641 F C 1.167 176.884 175.800 -0.137 0.000 1.115 641 F CA -1.359 56.293 58.000 -0.580 0.000 1.010 641 F CB 1.441 40.301 39.000 -0.234 0.000 1.234 641 F HN -0.004 nan 8.300 nan 0.000 0.439 642 R N 0.878 121.546 120.500 0.281 0.000 2.064 642 R HA -0.049 4.295 4.340 0.006 0.000 0.228 642 R C -0.384 176.038 176.300 0.203 0.000 1.144 642 R CA 1.374 57.624 56.100 0.251 0.000 0.932 642 R CB -0.132 30.338 30.300 0.283 0.000 0.833 642 R HN 0.624 nan 8.270 nan 0.000 0.429 643 D N -2.812 117.720 120.400 0.220 0.000 2.531 643 D HA 0.187 4.830 4.640 0.006 0.000 0.244 643 D C 0.310 176.634 176.300 0.039 0.000 1.090 643 D CA -0.719 53.349 54.000 0.112 0.000 0.989 643 D CB 0.679 41.508 40.800 0.048 0.000 1.433 643 D HN -0.239 nan 8.370 nan 0.000 0.492 644 T N -0.172 114.328 114.554 -0.090 0.000 2.620 644 T HA -0.280 4.073 4.350 0.006 0.000 0.267 644 T C 1.463 175.613 174.700 -0.916 0.000 1.044 644 T CA 2.110 63.949 62.100 -0.435 0.000 1.161 644 T CB -0.592 67.864 68.868 -0.687 0.000 0.862 644 T HN 0.549 nan 8.240 nan 0.000 0.438 645 N N 0.527 118.894 118.700 -0.554 0.000 2.417 645 N HA -0.167 4.577 4.740 0.006 0.000 0.187 645 N C 1.569 176.889 175.510 -0.317 0.000 1.027 645 N CA 0.927 53.712 53.050 -0.441 0.000 0.891 645 N CB -0.396 37.965 38.487 -0.210 0.000 0.956 645 N HN 0.505 nan 8.380 nan 0.000 0.442 646 H N 0.464 119.360 119.070 -0.291 0.000 2.253 646 H HA -0.144 4.416 4.556 0.006 0.000 0.299 646 H C 1.793 177.108 175.328 -0.022 0.000 1.064 646 H CA 2.145 58.167 56.048 -0.043 0.000 1.264 646 H CB -0.852 29.016 29.762 0.176 0.000 1.371 646 H HN 0.513 nan 8.280 nan 0.000 0.493 647 W N 0.873 122.174 121.300 0.002 0.000 2.421 647 W HA -0.025 4.639 4.660 0.007 0.000 0.270 647 W C 1.735 178.310 176.519 0.092 0.000 1.233 647 W CA 0.846 58.112 57.345 -0.131 0.000 1.226 647 W CB -1.244 27.686 29.460 -0.883 0.000 1.121 647 W HN -0.025 nan 8.180 nan 0.000 0.579 648 V N 1.702 121.283 119.914 -0.554 0.000 2.427 648 V HA -0.276 3.847 4.120 0.006 0.000 0.248 648 V C 2.226 178.280 176.094 -0.068 0.000 1.051 648 V CA 2.536 64.585 62.300 -0.418 0.000 1.048 648 V CB -0.899 30.518 31.823 -0.677 0.000 0.666 648 V HN -0.019 nan 8.190 nan 0.000 0.456 649 D N -0.804 119.577 120.400 -0.032 0.000 2.183 649 D HA -0.130 4.514 4.640 0.006 0.000 0.203 649 D C 1.830 178.259 176.300 0.214 0.000 0.969 649 D CA 0.742 54.776 54.000 0.057 0.000 0.842 649 D CB -0.089 40.720 40.800 0.015 0.000 0.957 649 D HN 0.375 nan 8.370 nan 0.000 0.484 650 F N 1.375 121.426 119.950 0.167 0.000 2.051 650 F HA -0.122 4.409 4.527 0.006 0.000 0.296 650 F C 1.999 177.967 175.800 0.280 0.000 1.122 650 F CA 1.334 59.500 58.000 0.276 0.000 1.201 650 F CB -0.825 38.439 39.000 0.439 0.000 0.978 650 F HN -0.087 nan 8.300 nan 0.000 0.472 651 L N 0.155 121.377 121.223 -0.001 0.000 2.046 651 L HA -0.224 4.119 4.340 0.006 0.000 0.208 651 L C 2.323 179.234 176.870 0.069 0.000 1.077 651 L CA 1.867 56.675 54.840 -0.055 0.000 0.747 651 L CB -1.074 41.079 42.059 0.157 0.000 0.896 651 L HN 0.223 nan 8.230 nan 0.000 0.432 652 D N 0.600 121.049 120.400 0.081 0.000 2.133 652 D HA -0.289 4.355 4.640 0.006 0.000 0.192 652 D C 2.178 178.522 176.300 0.074 0.000 1.001 652 D CA 1.747 55.782 54.000 0.057 0.000 0.844 652 D CB 0.031 40.854 40.800 0.039 0.000 0.944 652 D HN 0.096 nan 8.370 nan 0.000 0.447 653 K N -1.212 119.256 120.400 0.113 0.000 2.148 653 K HA -0.113 4.210 4.320 0.006 0.000 0.204 653 K C 2.257 178.961 176.600 0.173 0.000 1.050 653 K CA 0.776 57.145 56.287 0.138 0.000 0.942 653 K CB -0.437 32.174 32.500 0.185 0.000 0.724 653 K HN 0.291 nan 8.250 nan 0.000 0.446 654 F N 0.712 120.642 119.950 -0.034 0.000 2.102 654 F HA -0.227 4.304 4.527 0.005 0.000 0.298 654 F C 1.983 177.796 175.800 0.021 0.000 1.105 654 F CA 1.269 59.240 58.000 -0.048 0.000 1.239 654 F CB -0.071 38.792 39.000 -0.228 0.000 0.991 654 F HN 0.102 nan 8.300 nan 0.000 0.474 655 A N 0.657 123.419 122.820 -0.097 0.000 1.873 655 A HA -0.196 4.128 4.320 0.006 0.000 0.215 655 A C 2.192 179.746 177.584 -0.050 0.000 1.186 655 A CA 1.544 53.518 52.037 -0.106 0.000 0.616 655 A CB -0.834 18.249 19.000 0.138 0.000 0.823 655 A HN 0.480 nan 8.150 nan 0.000 0.442 656 R N -0.605 119.899 120.500 0.006 0.000 2.237 656 R HA -0.083 4.261 4.340 0.006 0.000 0.219 656 R C 1.385 177.686 176.300 0.001 0.000 1.080 656 R CA 1.471 57.579 56.100 0.013 0.000 0.995 656 R CB 0.015 30.331 30.300 0.026 0.000 0.875 656 R HN 0.542 nan 8.270 nan 0.000 0.462 657 E N -0.819 119.384 120.200 0.005 0.000 2.290 657 E HA 0.042 4.396 4.350 0.006 0.000 0.199 657 E C 1.575 178.173 176.600 -0.004 0.000 0.912 657 E CA 0.365 56.782 56.400 0.028 0.000 0.924 657 E CB 0.380 30.139 29.700 0.097 0.000 0.901 657 E HN 0.306 nan 8.360 nan 0.000 0.487 658 R N -0.210 120.244 120.500 -0.078 0.000 2.107 658 R HA 0.295 4.638 4.340 0.006 0.000 0.195 658 R C 2.532 178.593 176.300 -0.399 0.000 1.214 658 R CA 0.075 56.105 56.100 -0.116 0.000 1.129 658 R CB -0.043 30.313 30.300 0.094 0.000 1.045 658 R HN -0.027 nan 8.270 nan 0.000 0.489 659 M N 1.304 120.510 119.600 -0.657 0.000 2.151 659 M HA -0.260 4.223 4.480 0.006 0.000 0.256 659 M C 1.979 177.923 176.300 -0.593 0.000 1.072 659 M CA 1.995 56.836 55.300 -0.765 0.000 1.090 659 M CB -0.766 31.414 32.600 -0.700 0.000 1.294 659 M HN 0.234 nan 8.290 nan 0.000 0.415 660 E N -0.286 119.714 120.200 -0.333 0.000 2.033 660 E HA -0.211 4.143 4.350 0.006 0.000 0.199 660 E C -0.412 176.080 176.600 -0.180 0.000 1.011 660 E CA 1.513 57.801 56.400 -0.186 0.000 0.815 660 E CB -1.352 28.329 29.700 -0.033 0.000 0.755 660 E HN 0.389 nan 8.360 nan 0.000 0.451 661 P HA -0.258 nan 4.420 nan 0.000 0.216 661 P C 1.146 178.345 177.300 -0.169 0.000 1.157 661 P CA 2.173 65.203 63.100 -0.117 0.000 0.880 661 P CB -0.086 31.559 31.700 -0.092 0.000 0.791 662 A N -0.742 121.877 122.820 -0.334 0.000 1.873 662 A HA -0.232 4.092 4.320 0.006 0.000 0.218 662 A C 2.245 179.650 177.584 -0.297 0.000 1.193 662 A CA 1.866 53.659 52.037 -0.407 0.000 0.629 662 A CB -1.716 16.701 19.000 -0.971 0.000 0.826 662 A HN 0.126 nan 8.150 nan 0.000 0.447 663 I N -0.541 119.833 120.570 -0.326 0.000 2.208 663 I HA -0.265 3.909 4.170 0.006 0.000 0.245 663 I C 2.260 178.349 176.117 -0.046 0.000 1.097 663 I CA 1.912 63.070 61.300 -0.237 0.000 1.363 663 I CB -0.416 37.451 38.000 -0.222 0.000 1.051 663 I HN 0.398 nan 8.210 nan 0.000 0.413 664 D N 0.814 121.231 120.400 0.029 0.000 2.144 664 D HA -0.175 4.468 4.640 0.006 0.000 0.199 664 D C 2.295 178.640 176.300 0.075 0.000 0.984 664 D CA 1.305 55.400 54.000 0.159 0.000 0.834 664 D CB 0.096 40.971 40.800 0.126 0.000 0.955 664 D HN 0.169 nan 8.370 nan 0.000 0.465 665 R N -0.710 119.786 120.500 -0.006 0.000 2.236 665 R HA 0.107 4.450 4.340 0.006 0.000 0.208 665 R C 2.273 178.575 176.300 0.003 0.000 1.036 665 R CA 0.863 56.953 56.100 -0.017 0.000 1.001 665 R CB -0.052 30.231 30.300 -0.029 0.000 0.896 665 R HN 0.169 nan 8.270 nan 0.000 0.464 666 G N 0.142 108.924 108.800 -0.030 0.000 2.408 666 G HA2 -0.178 3.786 3.960 0.006 0.000 0.215 666 G HA3 -0.178 3.786 3.960 0.006 0.000 0.215 666 G C 0.952 175.943 174.900 0.151 0.000 1.156 666 G CA 0.187 45.284 45.100 -0.005 0.000 0.793 666 G HN 0.128 nan 8.290 nan 0.000 0.535 667 F N 0.741 120.792 119.950 0.167 0.000 2.473 667 F HA 0.301 4.831 4.527 0.006 0.000 0.294 667 F C 2.721 178.491 175.800 -0.049 0.000 1.103 667 F CA 0.148 58.223 58.000 0.124 0.000 1.442 667 F CB -0.065 39.091 39.000 0.261 0.000 1.097 667 F HN -0.025 nan 8.300 nan 0.000 0.547 668 R N 0.089 120.557 120.500 -0.053 0.000 2.092 668 R HA -0.165 4.178 4.340 0.006 0.000 0.231 668 R C 2.118 178.389 176.300 -0.048 0.000 1.119 668 R CA 1.436 57.365 56.100 -0.285 0.000 0.970 668 R CB -0.386 29.757 30.300 -0.263 0.000 0.864 668 R HN 0.334 nan 8.270 nan 0.000 0.440 669 E N 0.874 121.109 120.200 0.058 0.000 2.072 669 E HA -0.218 4.136 4.350 0.006 0.000 0.191 669 E C 2.009 178.669 176.600 0.100 0.000 0.985 669 E CA 1.057 57.531 56.400 0.123 0.000 0.801 669 E CB 0.017 29.856 29.700 0.232 0.000 0.750 669 E HN 0.213 nan 8.360 nan 0.000 0.452 670 M N 0.404 119.998 119.600 -0.010 0.000 2.159 670 M HA -0.165 4.319 4.480 0.006 0.000 0.263 670 M C 2.513 178.723 176.300 -0.151 0.000 1.063 670 M CA 1.466 56.499 55.300 -0.445 0.000 1.110 670 M CB -0.275 31.747 32.600 -0.964 0.000 1.374 670 M HN 0.346 nan 8.290 nan 0.000 0.411 671 C N 0.920 120.217 119.300 -0.005 0.000 2.422 671 C HA -0.153 4.310 4.460 0.006 0.000 0.279 671 C C 2.515 177.529 174.990 0.039 0.000 1.305 671 C CA 1.847 60.898 59.018 0.055 0.000 1.757 671 C CB -0.952 26.847 27.740 0.098 0.000 1.962 671 C HN 0.758 nan 8.230 nan 0.000 0.499 672 E N -0.494 119.732 120.200 0.044 0.000 2.046 672 E HA -0.177 4.176 4.350 0.006 0.000 0.190 672 E C 2.039 178.705 176.600 0.111 0.000 0.982 672 E CA 1.477 57.913 56.400 0.060 0.000 0.800 672 E CB -0.913 28.820 29.700 0.056 0.000 0.756 672 E HN 0.690 nan 8.360 nan 0.000 0.449 673 Y N 0.317 120.583 120.300 -0.057 0.000 2.114 673 Y HA -0.143 4.410 4.550 0.006 0.000 0.282 673 Y C 1.992 177.843 175.900 -0.081 0.000 1.165 673 Y CA 1.892 59.957 58.100 -0.058 0.000 1.148 673 Y CB -0.584 37.803 38.460 -0.122 0.000 0.972 673 Y HN 0.190 nan 8.280 nan 0.000 0.504 674 M N 0.746 120.307 119.600 -0.064 0.000 2.595 674 M HA 0.049 4.532 4.480 0.006 0.000 0.248 674 M C 0.298 176.560 176.300 -0.064 0.000 1.119 674 M CA 0.704 55.912 55.300 -0.153 0.000 1.079 674 M CB -0.956 31.604 32.600 -0.066 0.000 1.472 674 M HN 0.364 nan 8.290 nan 0.000 0.501 675 N N 1.549 120.241 118.700 -0.012 0.000 2.671 675 N HA -0.235 4.509 4.740 0.006 0.000 0.261 675 N C -1.328 174.183 175.510 0.001 0.000 1.053 675 N CA 0.545 53.594 53.050 -0.002 0.000 0.732 675 N CB -1.384 37.092 38.487 -0.019 0.000 0.887 675 N HN 0.607 nan 8.380 nan 0.000 0.546 676 N N 0.788 119.490 118.700 0.003 0.000 2.515 676 N HA 0.134 4.878 4.740 0.006 0.000 0.279 676 N C 1.044 176.546 175.510 -0.015 0.000 1.164 676 N CA -0.850 52.187 53.050 -0.022 0.000 0.982 676 N CB 0.878 39.333 38.487 -0.053 0.000 1.170 676 N HN 0.201 nan 8.380 nan 0.000 0.474 677 K N 0.760 121.140 120.400 -0.032 0.000 2.032 677 K HA -0.237 4.087 4.320 0.006 0.000 0.218 677 K C 0.200 176.794 176.600 -0.010 0.000 1.054 677 K CA 1.861 58.138 56.287 -0.017 0.000 0.941 677 K CB 0.002 32.478 32.500 -0.039 0.000 0.720 677 K HN 0.808 nan 8.250 nan 0.000 0.449 678 Q N -1.402 118.379 119.800 -0.032 0.000 2.435 678 Q HA 0.140 4.484 4.340 0.006 0.000 0.282 678 Q C -1.285 174.714 176.000 -0.002 0.000 1.020 678 Q CA -0.859 54.947 55.803 0.005 0.000 0.820 678 Q CB 1.183 29.923 28.738 0.003 0.000 1.436 678 Q HN 0.224 nan 8.270 nan 0.000 0.395 679 H N 3.430 122.480 119.070 -0.034 0.000 2.800 679 H HA 0.263 4.823 4.556 0.006 0.000 0.291 679 H C -0.574 174.636 175.328 -0.197 0.000 1.076 679 H CA 0.111 56.122 56.048 -0.061 0.000 1.452 679 H CB 0.593 30.390 29.762 0.058 0.000 1.461 679 H HN 0.701 nan 8.280 nan 0.000 0.488 680 L N 5.448 126.142 121.223 -0.881 0.000 3.298 680 L HA 0.159 4.503 4.340 0.006 0.000 0.296 680 L C 0.226 176.098 176.870 -1.663 0.000 1.237 680 L CA -0.142 53.813 54.840 -1.474 0.000 1.038 680 L CB 0.509 42.079 42.059 -0.814 0.000 1.423 680 L HN 0.601 nan 8.230 nan 0.000 0.605 681 M N 1.730 120.595 119.600 -1.226 0.000 3.254 681 M HA 0.204 4.688 4.480 0.006 0.000 0.257 681 M C -0.952 175.032 176.300 -0.527 0.000 1.490 681 M CA 0.267 55.066 55.300 -0.835 0.000 1.620 681 M CB -0.900 31.223 32.600 -0.796 0.000 1.157 681 M HN -0.097 nan 8.290 nan 0.000 0.541 682 F N 2.636 122.428 119.950 -0.264 0.000 2.350 682 F HA 0.453 4.983 4.527 0.006 0.000 0.365 682 F C 0.443 176.244 175.800 0.002 0.000 1.122 682 F CA -1.077 56.875 58.000 -0.079 0.000 1.139 682 F CB 0.387 39.348 39.000 -0.066 0.000 1.220 682 F HN 0.391 nan 8.300 nan 0.000 0.499 683 M N 6.362 126.143 119.600 0.301 0.000 2.044 683 M HA 0.310 4.794 4.480 0.006 0.000 0.333 683 M C -1.070 175.393 176.300 0.272 0.000 1.004 683 M CA -0.455 55.012 55.300 0.278 0.000 0.954 683 M CB 0.469 33.307 32.600 0.397 0.000 1.468 683 M HN 0.659 nan 8.290 nan 0.000 0.414 684 D N 4.212 124.747 120.400 0.226 0.000 2.384 684 D HA 0.316 4.960 4.640 0.006 0.000 0.250 684 D C -0.706 175.710 176.300 0.195 0.000 1.029 684 D CA -0.735 53.387 54.000 0.203 0.000 0.990 684 D CB 1.143 42.004 40.800 0.102 0.000 1.175 684 D HN 0.577 nan 8.370 nan 0.000 0.532 685 R N 0.179 120.721 120.500 0.069 0.000 2.643 685 R HA 0.010 4.354 4.340 0.006 0.000 0.270 685 R C -0.130 176.004 176.300 -0.277 0.000 1.061 685 R CA 0.186 56.050 56.100 -0.393 0.000 1.107 685 R CB 1.209 31.285 30.300 -0.373 0.000 0.999 685 R HN 0.655 nan 8.270 nan 0.000 0.460 686 E N 2.553 122.526 120.200 -0.379 0.000 2.513 686 E HA 0.344 4.697 4.350 0.006 0.000 0.225 686 E C -0.760 175.752 176.600 -0.145 0.000 1.019 686 E CA 0.423 56.705 56.400 -0.197 0.000 1.041 686 E CB 0.292 29.888 29.700 -0.173 0.000 2.093 686 E HN 0.714 nan 8.360 nan 0.000 0.551 687 A N 0.598 123.341 122.820 -0.128 0.000 2.320 687 A HA 0.696 5.019 4.320 0.006 0.000 0.334 687 A C -0.834 176.764 177.584 0.024 0.000 1.147 687 A CA -0.526 51.506 52.037 -0.007 0.000 0.820 687 A CB 0.672 19.720 19.000 0.081 0.000 1.218 687 A HN 0.370 nan 8.150 nan 0.000 0.482 688 I N 1.385 122.031 120.570 0.128 0.000 2.439 688 I HA 0.532 4.706 4.170 0.006 0.000 0.283 688 I C 0.190 176.538 176.117 0.386 0.000 1.023 688 I CA -0.127 61.313 61.300 0.233 0.000 1.100 688 I CB 1.616 39.739 38.000 0.204 0.000 1.238 688 I HN 0.733 nan 8.210 nan 0.000 0.445 689 A N 4.562 127.637 122.820 0.424 0.000 2.384 689 A HA 1.044 5.368 4.320 0.006 0.000 0.312 689 A C -0.221 177.665 177.584 0.504 0.000 1.113 689 A CA -0.533 51.781 52.037 0.462 0.000 0.779 689 A CB 1.960 21.130 19.000 0.282 0.000 1.307 689 A HN 0.860 nan 8.150 nan 0.000 0.436 690 G N 0.081 109.191 108.800 0.517 0.000 2.325 690 G HA2 0.530 4.493 3.960 0.006 0.000 0.297 690 G HA3 0.530 4.493 3.960 0.006 0.000 0.297 690 G C -3.554 171.561 174.900 0.360 0.000 1.448 690 G CA -0.439 44.731 45.100 0.115 0.000 0.838 690 G HN 0.630 nan 8.290 nan 0.000 0.579 691 P HA 0.418 nan 4.420 nan 0.000 0.276 691 P C -2.732 174.791 177.300 0.372 0.000 1.261 691 P CA -1.282 61.945 63.100 0.212 0.000 0.800 691 P CB 0.706 32.433 31.700 0.044 0.000 1.066 692 P HA 0.174 nan 4.420 nan 0.000 0.272 692 P C 0.005 177.438 177.300 0.221 0.000 1.230 692 P CA -0.175 63.129 63.100 0.340 0.000 0.788 692 P CB 0.298 32.215 31.700 0.361 0.000 0.949 693 L N 1.715 123.059 121.223 0.202 0.000 2.559 693 L HA 0.114 4.457 4.340 0.006 0.000 0.274 693 L C 1.363 178.315 176.870 0.136 0.000 1.205 693 L CA 0.736 55.690 54.840 0.190 0.000 0.907 693 L CB -0.967 41.213 42.059 0.202 0.000 1.153 693 L HN 0.779 nan 8.230 nan 0.000 0.490 694 G N 2.600 111.469 108.800 0.116 0.000 2.273 694 G HA2 -0.249 3.715 3.960 0.006 0.000 0.280 694 G HA3 -0.249 3.715 3.960 0.006 0.000 0.280 694 G C 0.173 175.127 174.900 0.090 0.000 1.047 694 G CA 0.354 45.509 45.100 0.093 0.000 0.869 694 G HN 0.588 nan 8.290 nan 0.000 0.502 695 S N -0.870 114.890 115.700 0.099 0.000 2.722 695 S HA 0.642 5.115 4.470 0.006 0.000 0.292 695 S C 0.981 175.629 174.600 0.079 0.000 1.135 695 S CA -0.845 57.414 58.200 0.098 0.000 1.003 695 S CB 1.646 64.922 63.200 0.127 0.000 1.067 695 S HN 0.170 nan 8.310 nan 0.000 0.546 696 K N 0.903 121.347 120.400 0.073 0.000 2.387 696 K HA 0.180 4.503 4.320 0.006 0.000 0.198 696 K C 0.838 177.475 176.600 0.061 0.000 1.022 696 K CA -0.082 56.242 56.287 0.060 0.000 1.128 696 K CB -0.105 32.428 32.500 0.054 0.000 0.853 696 K HN 0.707 nan 8.250 nan 0.000 0.523 697 G N 1.511 110.355 108.800 0.073 0.000 2.467 697 G HA2 0.187 4.151 3.960 0.006 0.000 0.257 697 G HA3 0.187 4.151 3.960 0.006 0.000 0.257 697 G C 1.011 175.950 174.900 0.066 0.000 1.227 697 G CA -0.555 44.590 45.100 0.075 0.000 0.835 697 G HN 0.270 nan 8.290 nan 0.000 0.556 698 I N 0.152 120.766 120.570 0.073 0.000 3.684 698 I HA 0.256 4.429 4.170 0.006 0.000 0.304 698 I C 1.734 177.909 176.117 0.098 0.000 1.278 698 I CA 0.427 61.775 61.300 0.079 0.000 1.272 698 I CB -0.127 37.923 38.000 0.084 0.000 1.029 698 I HN 0.750 nan 8.210 nan 0.000 0.458 699 G N 1.388 110.243 108.800 0.092 0.000 2.562 699 G HA2 -0.246 3.717 3.960 0.006 0.000 0.241 699 G HA3 -0.246 3.717 3.960 0.006 0.000 0.241 699 G C 0.536 175.519 174.900 0.139 0.000 1.120 699 G CA 0.179 45.335 45.100 0.093 0.000 0.673 699 G HN 1.233 nan 8.290 nan 0.000 0.519 700 G N -1.470 107.456 108.800 0.209 0.000 2.451 700 G HA2 0.811 4.774 3.960 0.006 0.000 0.292 700 G HA3 0.811 4.774 3.960 0.006 0.000 0.292 700 G C -0.962 174.183 174.900 0.408 0.000 1.427 700 G CA -0.010 45.218 45.100 0.214 0.000 0.792 700 G HN 1.833 nan 8.290 nan 0.000 0.498 701 F N -2.667 117.378 119.950 0.158 0.000 2.744 701 F HA 0.796 5.327 4.527 0.006 0.000 0.311 701 F C -2.091 173.814 175.800 0.176 0.000 1.144 701 F CA -1.937 56.222 58.000 0.266 0.000 0.938 701 F CB 1.147 40.206 39.000 0.098 0.000 1.292 701 F HN 0.622 nan 8.300 nan 0.000 0.444 702 W N 1.560 123.057 121.300 0.329 0.000 2.781 702 W HA 0.435 5.098 4.660 0.006 0.000 0.345 702 W C 0.120 176.791 176.519 0.253 0.000 1.085 702 W CA -0.143 57.282 57.345 0.133 0.000 1.198 702 W CB 2.786 32.259 29.460 0.021 0.000 1.423 702 W HN 0.889 nan 8.180 nan 0.000 0.532 703 T N -1.086 113.679 114.554 0.352 0.000 2.964 703 T HA 0.443 4.796 4.350 0.006 0.000 0.249 703 T C 0.452 175.288 174.700 0.227 0.000 1.000 703 T CA 0.700 62.976 62.100 0.294 0.000 0.992 703 T CB 1.276 70.309 68.868 0.276 0.000 1.087 703 T HN 0.568 nan 8.240 nan 0.000 0.489 704 G N 0.552 109.487 108.800 0.225 0.000 2.340 704 G HA2 0.439 4.402 3.960 0.006 0.000 0.299 704 G HA3 0.439 4.402 3.960 0.006 0.000 0.299 704 G C -1.889 173.132 174.900 0.201 0.000 1.291 704 G CA -1.155 44.058 45.100 0.188 0.000 0.841 704 G HN 0.288 nan 8.290 nan 0.000 0.500 705 K N 1.060 121.579 120.400 0.198 0.000 2.436 705 K HA 0.239 4.562 4.320 0.006 0.000 0.275 705 K C 0.154 176.880 176.600 0.210 0.000 0.999 705 K CA 0.227 56.680 56.287 0.277 0.000 0.980 705 K CB 0.364 32.999 32.500 0.225 0.000 0.919 705 K HN 0.525 nan 8.250 nan 0.000 0.484 706 K N 0.984 121.558 120.400 0.290 0.000 3.130 706 K HA -0.251 4.073 4.320 0.006 0.000 0.282 706 K C -0.644 175.973 176.600 0.029 0.000 1.145 706 K CA 1.228 57.634 56.287 0.198 0.000 0.831 706 K CB -1.237 31.344 32.500 0.135 0.000 1.226 706 K HN 0.656 nan 8.250 nan 0.000 0.478 707 R N 0.144 120.644 120.500 0.000 0.000 2.680 707 R HA 0.308 4.651 4.340 0.006 0.000 0.278 707 R C -0.770 175.327 176.300 -0.338 0.000 1.582 707 R CA -0.660 55.341 56.100 -0.164 0.000 1.177 707 R CB 0.857 31.139 30.300 -0.029 0.000 1.232 707 R HN 0.259 nan 8.270 nan 0.000 0.528 708 Y N -0.842 118.959 120.300 -0.832 0.000 2.705 708 Y HA 0.880 5.433 4.550 0.005 0.000 0.332 708 Y C -1.675 173.524 175.900 -1.169 0.000 1.221 708 Y CA -1.521 55.789 58.100 -1.316 0.000 1.059 708 Y CB 1.296 38.236 38.460 -2.533 0.000 1.298 708 Y HN 0.347 nan 8.280 nan 0.000 0.459 709 A N 1.488 123.590 122.820 -1.197 0.000 2.549 709 A HA 0.865 5.189 4.320 0.006 0.000 0.297 709 A C -2.153 175.076 177.584 -0.591 0.000 1.061 709 A CA -0.847 50.638 52.037 -0.919 0.000 0.690 709 A CB 1.442 19.825 19.000 -1.028 0.000 1.287 709 A HN 0.841 nan 8.150 nan 0.000 0.402 710 L N 0.888 121.915 121.223 -0.327 0.000 2.472 710 L HA 0.450 4.793 4.340 0.006 0.000 0.260 710 L C -0.667 176.141 176.870 -0.103 0.000 0.963 710 L CA -0.906 53.862 54.840 -0.119 0.000 0.829 710 L CB 2.494 44.563 42.059 0.018 0.000 1.348 710 L HN 0.764 nan 8.230 nan 0.000 0.408 711 N N 1.284 119.953 118.700 -0.051 0.000 2.521 711 N HA 0.388 5.131 4.740 0.006 0.000 0.236 711 N C -0.917 174.480 175.510 -0.188 0.000 1.067 711 N CA -0.253 52.704 53.050 -0.156 0.000 0.939 711 N CB 0.932 39.353 38.487 -0.110 0.000 1.201 711 N HN 0.324 nan 8.380 nan 0.000 0.511 712 V N 3.417 123.197 119.914 -0.223 0.000 2.732 712 V HA 0.176 4.299 4.120 0.006 0.000 0.297 712 V C 0.377 176.298 176.094 -0.289 0.000 1.060 712 V CA -0.067 62.176 62.300 -0.094 0.000 1.038 712 V CB 1.164 33.006 31.823 0.032 0.000 1.003 712 V HN 0.782 nan 8.190 nan 0.000 0.481 713 W N -0.129 121.258 121.300 0.146 0.000 2.968 713 W HA 0.320 4.983 4.660 0.005 0.000 0.253 713 W C 0.575 177.152 176.519 0.096 0.000 1.150 713 W CA -0.066 57.346 57.345 0.111 0.000 1.463 713 W CB 0.644 30.069 29.460 -0.059 0.000 0.906 713 W HN 0.491 nan 8.180 nan 0.000 0.650 714 D N 0.359 120.896 120.400 0.228 0.000 2.934 714 D HA 0.327 4.970 4.640 0.006 0.000 0.230 714 D C -1.462 174.837 176.300 -0.001 0.000 1.204 714 D CA -0.445 53.558 54.000 0.007 0.000 0.873 714 D CB 1.938 42.735 40.800 -0.004 0.000 1.645 714 D HN -0.191 nan 8.370 nan 0.000 0.502 715 M N 3.027 122.551 119.600 -0.128 0.000 2.106 715 M HA 0.234 4.718 4.480 0.006 0.000 0.288 715 M C -0.483 175.756 176.300 -0.101 0.000 0.941 715 M CA 0.068 55.336 55.300 -0.053 0.000 0.934 715 M CB 0.938 33.573 32.600 0.057 0.000 1.551 715 M HN 0.443 nan 8.290 nan 0.000 0.437 716 E N 3.155 123.308 120.200 -0.077 0.000 2.440 716 E HA -0.249 4.105 4.350 0.006 0.000 0.246 716 E C 0.767 177.316 176.600 -0.086 0.000 1.165 716 E CA 0.940 57.295 56.400 -0.074 0.000 0.726 716 E CB -1.755 27.912 29.700 -0.056 0.000 1.271 716 E HN 1.305 nan 8.360 nan 0.000 0.397 717 G N -1.152 107.589 108.800 -0.098 0.000 2.194 717 G HA2 -0.276 3.688 3.960 0.006 0.000 0.236 717 G HA3 -0.276 3.688 3.960 0.006 0.000 0.236 717 G C 0.288 175.107 174.900 -0.135 0.000 0.987 717 G CA 0.191 45.233 45.100 -0.095 0.000 0.635 717 G HN 0.255 nan 8.290 nan 0.000 0.520 718 T N 0.805 115.232 114.554 -0.212 0.000 2.749 718 T HA 0.585 4.939 4.350 0.006 0.000 0.287 718 T C 0.066 174.508 174.700 -0.429 0.000 0.970 718 T CA -0.283 61.627 62.100 -0.316 0.000 0.980 718 T CB 1.586 70.209 68.868 -0.409 0.000 0.924 718 T HN 0.363 nan 8.240 nan 0.000 0.456 719 R N 3.317 123.646 120.500 -0.286 0.000 2.233 719 R HA 0.333 4.676 4.340 0.006 0.000 0.334 719 R C -1.094 175.126 176.300 -0.133 0.000 1.037 719 R CA -0.684 55.305 56.100 -0.186 0.000 0.920 719 R CB -0.538 29.719 30.300 -0.072 0.000 1.137 719 R HN 0.500 nan 8.270 nan 0.000 0.492 720 Y N 1.789 122.109 120.300 0.035 0.000 2.683 720 Y HA 0.013 4.566 4.550 0.005 0.000 0.340 720 Y C 1.640 177.574 175.900 0.056 0.000 1.245 720 Y CA 0.744 58.858 58.100 0.023 0.000 1.485 720 Y CB 0.499 38.946 38.460 -0.023 0.000 1.328 720 Y HN 0.725 nan 8.280 nan 0.000 0.603 721 A N 1.356 124.316 122.820 0.232 0.000 1.929 721 A HA -0.016 4.308 4.320 0.006 0.000 0.216 721 A C 0.561 178.253 177.584 0.180 0.000 1.176 721 A CA 1.047 53.188 52.037 0.173 0.000 0.628 721 A CB -0.051 19.058 19.000 0.183 0.000 0.816 721 A HN 0.641 nan 8.150 nan 0.000 0.444 722 E N 0.036 120.321 120.200 0.142 0.000 2.222 722 E HA 0.357 4.710 4.350 0.006 0.000 0.267 722 E C -2.868 173.674 176.600 -0.096 0.000 0.884 722 E CA -2.556 53.876 56.400 0.053 0.000 0.764 722 E CB 1.570 31.278 29.700 0.013 0.000 1.169 722 E HN 0.154 nan 8.360 nan 0.000 0.413 723 P HA -0.013 nan 4.420 nan 0.000 0.264 723 P C -0.485 176.508 177.300 -0.511 0.000 1.183 723 P CA 0.190 62.871 63.100 -0.697 0.000 0.763 723 P CB 0.817 31.737 31.700 -1.298 0.000 0.807 724 K N 3.997 124.056 120.400 -0.568 0.000 2.274 724 K HA 0.368 4.692 4.320 0.006 0.000 0.262 724 K C -0.275 176.085 176.600 -0.399 0.000 0.961 724 K CA -0.842 55.118 56.287 -0.545 0.000 0.833 724 K CB 0.760 32.705 32.500 -0.925 0.000 1.102 724 K HN 0.411 nan 8.250 nan 0.000 0.436 725 L N 3.834 124.870 121.223 -0.311 0.000 2.416 725 L HA 0.191 4.535 4.340 0.006 0.000 0.272 725 L C 0.488 177.218 176.870 -0.233 0.000 1.161 725 L CA 0.030 54.718 54.840 -0.252 0.000 0.845 725 L CB 0.514 42.443 42.059 -0.217 0.000 1.119 725 L HN 0.468 nan 8.230 nan 0.000 0.464 726 K N 5.675 125.942 120.400 -0.222 0.000 2.521 726 K HA 0.502 4.826 4.320 0.006 0.000 0.248 726 K C -0.997 175.404 176.600 -0.331 0.000 0.978 726 K CA -0.361 55.802 56.287 -0.208 0.000 0.947 726 K CB 0.837 33.274 32.500 -0.105 0.000 1.165 726 K HN 0.475 nan 8.250 nan 0.000 0.445 727 I N 3.365 123.719 120.570 -0.360 0.000 2.441 727 I HA 0.410 4.584 4.170 0.006 0.000 0.295 727 I C -0.418 175.386 176.117 -0.522 0.000 0.994 727 I CA -1.102 59.900 61.300 -0.497 0.000 1.144 727 I CB 1.690 39.453 38.000 -0.396 0.000 1.314 727 I HN 0.272 nan 8.210 nan 0.000 0.445 728 M N 3.462 122.604 119.600 -0.763 0.000 2.263 728 M HA 0.479 4.962 4.480 0.006 0.000 0.295 728 M C 0.528 176.526 176.300 -0.504 0.000 1.028 728 M CA -0.229 54.670 55.300 -0.668 0.000 0.921 728 M CB 1.668 33.640 32.600 -1.046 0.000 1.601 728 M HN 0.800 nan 8.290 nan 0.000 0.440 729 G N 2.382 111.017 108.800 -0.275 0.000 2.270 729 G HA2 -0.249 3.715 3.960 0.006 0.000 0.268 729 G HA3 -0.249 3.715 3.960 0.006 0.000 0.268 729 G C 0.199 175.021 174.900 -0.128 0.000 0.982 729 G CA 0.705 45.706 45.100 -0.164 0.000 0.628 729 G HN 0.610 nan 8.290 nan 0.000 0.544 730 L N 0.368 121.474 121.223 -0.196 0.000 2.476 730 L HA 0.253 4.596 4.340 0.006 0.000 0.255 730 L C 2.038 178.916 176.870 0.012 0.000 1.218 730 L CA -0.443 54.343 54.840 -0.089 0.000 0.819 730 L CB 0.223 42.085 42.059 -0.329 0.000 1.119 730 L HN 0.068 nan 8.230 nan 0.000 0.485 731 E N 0.130 120.425 120.200 0.158 0.000 2.130 731 E HA -0.220 4.134 4.350 0.006 0.000 0.196 731 E C 1.882 178.526 176.600 0.073 0.000 0.998 731 E CA 1.839 58.307 56.400 0.113 0.000 0.806 731 E CB -1.004 28.779 29.700 0.138 0.000 0.738 731 E HN 0.904 nan 8.360 nan 0.000 0.459 732 T N -0.256 114.339 114.554 0.069 0.000 2.897 732 T HA -0.167 4.186 4.350 0.006 0.000 0.271 732 T C 1.524 176.220 174.700 -0.006 0.000 1.084 732 T CA 1.103 63.220 62.100 0.027 0.000 1.123 732 T CB -0.046 68.812 68.868 -0.017 0.000 0.865 732 T HN -0.006 nan 8.240 nan 0.000 0.496 733 Q N 0.593 120.373 119.800 -0.034 0.000 2.392 733 Q HA 0.296 4.639 4.340 0.006 0.000 0.203 733 Q C 0.312 176.301 176.000 -0.018 0.000 0.917 733 Q CA 0.387 56.166 55.803 -0.040 0.000 0.939 733 Q CB 0.307 28.994 28.738 -0.084 0.000 1.063 733 Q HN 0.616 nan 8.270 nan 0.000 0.516 734 K N 0.932 121.328 120.400 -0.006 0.000 2.156 734 K HA 0.205 4.529 4.320 0.006 0.000 0.271 734 K C 1.006 177.600 176.600 -0.009 0.000 0.995 734 K CA 0.000 56.282 56.287 -0.009 0.000 0.890 734 K CB 1.362 33.858 32.500 -0.006 0.000 1.073 734 K HN -0.016 nan 8.250 nan 0.000 0.454 735 S N 0.235 115.917 115.700 -0.030 0.000 2.447 735 S HA -0.156 4.318 4.470 0.006 0.000 0.233 735 S C 1.714 176.277 174.600 -0.062 0.000 1.006 735 S CA 1.326 59.493 58.200 -0.055 0.000 0.957 735 S CB -0.242 62.902 63.200 -0.094 0.000 0.773 735 S HN 0.642 nan 8.310 nan 0.000 0.507 736 S N 1.317 116.987 115.700 -0.051 0.000 2.461 736 S HA 0.016 4.489 4.470 0.006 0.000 0.228 736 S C 1.085 175.683 174.600 -0.003 0.000 1.005 736 S CA 0.569 58.739 58.200 -0.049 0.000 0.942 736 S CB -0.976 62.191 63.200 -0.056 0.000 0.776 736 S HN 0.674 nan 8.310 nan 0.000 0.514 737 T N 3.536 118.102 114.554 0.021 0.000 2.832 737 T HA 0.361 4.715 4.350 0.006 0.000 0.296 737 T C -2.835 171.909 174.700 0.073 0.000 0.968 737 T CA -2.375 59.759 62.100 0.057 0.000 1.107 737 T CB 0.688 69.597 68.868 0.069 0.000 0.916 737 T HN 0.049 nan 8.240 nan 0.000 0.517 738 P HA 0.023 nan 4.420 nan 0.000 0.264 738 P C 0.792 178.157 177.300 0.108 0.000 1.183 738 P CA -0.122 63.038 63.100 0.101 0.000 0.763 738 P CB 0.731 32.502 31.700 0.119 0.000 0.807 739 K N 2.863 123.319 120.400 0.095 0.000 2.059 739 K HA -0.222 4.101 4.320 0.006 0.000 0.212 739 K C 2.015 178.679 176.600 0.108 0.000 1.050 739 K CA 2.178 58.525 56.287 0.100 0.000 0.927 739 K CB -0.941 31.618 32.500 0.098 0.000 0.714 739 K HN 0.532 nan 8.250 nan 0.000 0.447 740 A N 1.259 124.150 122.820 0.119 0.000 1.908 740 A HA -0.127 4.197 4.320 0.006 0.000 0.218 740 A C 2.497 180.190 177.584 0.182 0.000 1.181 740 A CA 1.666 53.801 52.037 0.164 0.000 0.627 740 A CB -0.639 18.475 19.000 0.190 0.000 0.818 740 A HN 0.100 nan 8.150 nan 0.000 0.445 741 V N 0.014 120.049 119.914 0.202 0.000 2.427 741 V HA -0.293 3.831 4.120 0.006 0.000 0.248 741 V C 2.589 178.770 176.094 0.146 0.000 1.051 741 V CA 2.081 64.497 62.300 0.193 0.000 1.048 741 V CB -0.971 31.012 31.823 0.265 0.000 0.666 741 V HN 0.642 nan 8.190 nan 0.000 0.456 742 Q N 0.091 119.965 119.800 0.123 0.000 2.050 742 Q HA -0.276 4.068 4.340 0.006 0.000 0.202 742 Q C 2.347 178.393 176.000 0.076 0.000 0.980 742 Q CA 1.830 57.691 55.803 0.096 0.000 0.840 742 Q CB -0.264 28.522 28.738 0.080 0.000 0.898 742 Q HN 0.545 nan 8.270 nan 0.000 0.424 743 K N 0.333 120.777 120.400 0.074 0.000 2.097 743 K HA -0.126 4.198 4.320 0.006 0.000 0.206 743 K C 2.026 178.657 176.600 0.052 0.000 1.049 743 K CA 1.085 57.407 56.287 0.058 0.000 0.933 743 K CB -0.080 32.465 32.500 0.075 0.000 0.717 743 K HN 0.190 nan 8.250 nan 0.000 0.442 744 A N 0.865 123.701 122.820 0.027 0.000 1.872 744 A HA -0.079 4.244 4.320 0.006 0.000 0.214 744 A C 2.045 179.701 177.584 0.121 0.000 1.187 744 A CA 1.024 53.037 52.037 -0.040 0.000 0.614 744 A CB -0.570 17.977 19.000 -0.754 0.000 0.826 744 A HN 0.256 nan 8.150 nan 0.000 0.442 745 L N -0.569 120.760 121.223 0.177 0.000 2.083 745 L HA -0.207 4.137 4.340 0.006 0.000 0.209 745 L C 2.622 179.575 176.870 0.138 0.000 1.083 745 L CA 1.951 56.924 54.840 0.222 0.000 0.752 745 L CB -0.367 41.834 42.059 0.236 0.000 0.899 745 L HN 0.486 nan 8.230 nan 0.000 0.433 746 K N 0.224 120.660 120.400 0.061 0.000 2.148 746 K HA -0.243 4.080 4.320 0.006 0.000 0.204 746 K C 2.048 178.615 176.600 -0.055 0.000 1.050 746 K CA 1.398 57.677 56.287 -0.013 0.000 0.942 746 K CB 0.117 32.598 32.500 -0.031 0.000 0.724 746 K HN 0.067 nan 8.250 nan 0.000 0.446 747 E N 0.382 120.528 120.200 -0.091 0.000 2.107 747 E HA -0.124 4.230 4.350 0.006 0.000 0.191 747 E C 1.686 178.148 176.600 -0.229 0.000 0.982 747 E CA 1.505 57.751 56.400 -0.258 0.000 0.809 747 E CB -0.426 28.947 29.700 -0.545 0.000 0.756 747 E HN 0.395 nan 8.360 nan 0.000 0.459 748 C N 0.234 119.501 119.300 -0.055 0.000 2.413 748 C HA -0.057 4.407 4.460 0.006 0.000 0.276 748 C C 2.621 177.649 174.990 0.063 0.000 1.248 748 C CA 0.678 59.747 59.018 0.084 0.000 1.742 748 C CB -1.022 26.846 27.740 0.212 0.000 2.017 748 C HN 0.469 nan 8.230 nan 0.000 0.481 749 I N 0.386 120.994 120.570 0.064 0.000 2.226 749 I HA -0.211 3.962 4.170 0.006 0.000 0.245 749 I C 2.907 179.037 176.117 0.022 0.000 1.100 749 I CA 1.467 62.807 61.300 0.067 0.000 1.374 749 I CB -0.607 37.391 38.000 -0.003 0.000 1.057 749 I HN 0.349 nan 8.210 nan 0.000 0.413 750 R N 1.254 121.730 120.500 -0.040 0.000 2.083 750 R HA -0.176 4.167 4.340 0.006 0.000 0.237 750 R C 2.466 178.749 176.300 -0.029 0.000 1.137 750 R CA 1.587 57.651 56.100 -0.060 0.000 0.951 750 R CB -0.122 30.118 30.300 -0.100 0.000 0.851 750 R HN 0.288 nan 8.270 nan 0.000 0.434 751 R N -0.093 120.387 120.500 -0.034 0.000 2.115 751 R HA -0.112 4.231 4.340 0.006 0.000 0.230 751 R C 2.337 178.660 176.300 0.038 0.000 1.111 751 R CA 1.577 57.677 56.100 0.001 0.000 0.976 751 R CB -0.301 29.999 30.300 0.001 0.000 0.870 751 R HN 0.351 nan 8.270 nan 0.000 0.445 752 M N 0.573 120.201 119.600 0.046 0.000 2.296 752 M HA -0.089 4.395 4.480 0.006 0.000 0.265 752 M C 1.444 177.787 176.300 0.071 0.000 1.064 752 M CA 1.522 56.854 55.300 0.053 0.000 1.109 752 M CB 0.284 32.910 32.600 0.044 0.000 1.396 752 M HN 0.123 nan 8.290 nan 0.000 0.430 753 L N -1.468 119.802 121.223 0.078 0.000 2.362 753 L HA 0.018 4.362 4.340 0.006 0.000 0.204 753 L C 2.227 179.145 176.870 0.081 0.000 1.060 753 L CA 0.349 55.243 54.840 0.090 0.000 0.827 753 L CB -0.541 41.565 42.059 0.077 0.000 1.027 753 L HN 0.257 nan 8.230 nan 0.000 0.474 754 Q N 0.288 120.125 119.800 0.062 0.000 2.089 754 Q HA 0.033 4.376 4.340 0.006 0.000 0.195 754 Q C 0.304 176.362 176.000 0.096 0.000 0.963 754 Q CA 0.775 56.631 55.803 0.089 0.000 0.834 754 Q CB 0.369 29.139 28.738 0.052 0.000 0.906 754 Q HN 0.507 nan 8.270 nan 0.000 0.452 755 E N -0.402 119.840 120.200 0.071 0.000 2.405 755 E HA 0.448 4.801 4.350 0.006 0.000 0.249 755 E C -0.216 176.423 176.600 0.065 0.000 1.028 755 E CA -0.610 55.833 56.400 0.070 0.000 0.897 755 E CB 0.907 30.644 29.700 0.062 0.000 1.262 755 E HN 0.153 nan 8.360 nan 0.000 0.442 756 G N -0.216 108.621 108.800 0.062 0.000 2.531 756 G HA2 -0.014 3.950 3.960 0.006 0.000 0.281 756 G HA3 -0.014 3.950 3.960 0.006 0.000 0.281 756 G C 0.467 175.400 174.900 0.054 0.000 1.382 756 G CA -0.166 44.967 45.100 0.054 0.000 1.045 756 G HN 0.669 nan 8.290 nan 0.000 0.533 757 E N -0.944 119.282 120.200 0.043 0.000 2.268 757 E HA -0.125 4.229 4.350 0.006 0.000 0.195 757 E C 1.929 178.567 176.600 0.062 0.000 0.995 757 E CA 1.260 57.686 56.400 0.042 0.000 0.836 757 E CB 0.018 29.731 29.700 0.022 0.000 0.763 757 E HN 0.645 nan 8.360 nan 0.000 0.491 758 E N -0.132 120.106 120.200 0.063 0.000 2.046 758 E HA -0.149 4.204 4.350 0.006 0.000 0.190 758 E C 1.980 178.642 176.600 0.102 0.000 0.982 758 E CA 1.080 57.525 56.400 0.074 0.000 0.800 758 E CB -0.086 29.651 29.700 0.060 0.000 0.756 758 E HN 0.145 nan 8.360 nan 0.000 0.449 759 S N 0.355 116.115 115.700 0.101 0.000 2.399 759 S HA -0.110 4.364 4.470 0.006 0.000 0.231 759 S C 1.914 176.618 174.600 0.173 0.000 1.022 759 S CA 0.646 58.919 58.200 0.123 0.000 0.983 759 S CB -0.271 62.985 63.200 0.093 0.000 0.803 759 S HN 0.354 nan 8.310 nan 0.000 0.480 760 L N 1.164 122.482 121.223 0.158 0.000 1.994 760 L HA -0.134 4.209 4.340 0.006 0.000 0.208 760 L C 2.323 179.374 176.870 0.302 0.000 1.071 760 L CA 2.062 57.027 54.840 0.208 0.000 0.745 760 L CB -1.218 40.924 42.059 0.139 0.000 0.892 760 L HN 0.472 nan 8.230 nan 0.000 0.431 761 Q N -0.306 119.637 119.800 0.237 0.000 2.084 761 Q HA -0.282 4.061 4.340 0.006 0.000 0.202 761 Q C 2.003 178.187 176.000 0.306 0.000 0.978 761 Q CA 1.903 57.874 55.803 0.281 0.000 0.844 761 Q CB -0.192 28.646 28.738 0.167 0.000 0.898 761 Q HN 0.595 nan 8.270 nan 0.000 0.426 762 E N 0.247 120.587 120.200 0.235 0.000 2.070 762 E HA -0.266 4.087 4.350 0.006 0.000 0.197 762 E C 1.728 178.474 176.600 0.243 0.000 1.004 762 E CA 1.258 57.780 56.400 0.203 0.000 0.805 762 E CB -0.176 29.627 29.700 0.171 0.000 0.744 762 E HN 0.466 nan 8.360 nan 0.000 0.451 763 Y N -0.447 119.965 120.300 0.187 0.000 2.395 763 Y HA -0.108 4.446 4.550 0.006 0.000 0.293 763 Y C 1.827 177.889 175.900 0.270 0.000 1.123 763 Y CA 1.233 59.450 58.100 0.196 0.000 1.227 763 Y CB -0.147 38.420 38.460 0.178 0.000 1.012 763 Y HN 0.182 nan 8.280 nan 0.000 0.552 764 F N 1.246 121.368 119.950 0.287 0.000 2.146 764 F HA -0.115 4.416 4.527 0.006 0.000 0.298 764 F C 2.368 178.288 175.800 0.200 0.000 1.096 764 F CA 2.061 60.245 58.000 0.306 0.000 1.275 764 F CB -0.505 38.710 39.000 0.359 0.000 1.008 764 F HN -0.072 nan 8.300 nan 0.000 0.480 765 K N 0.082 120.500 120.400 0.031 0.000 2.057 765 K HA -0.251 4.072 4.320 0.006 0.000 0.207 765 K C 2.152 178.643 176.600 -0.183 0.000 1.049 765 K CA 1.691 57.910 56.287 -0.112 0.000 0.931 765 K CB -0.272 32.254 32.500 0.043 0.000 0.714 765 K HN 0.256 nan 8.250 nan 0.000 0.440 766 E N 0.346 120.460 120.200 -0.143 0.000 2.058 766 E HA -0.212 4.141 4.350 0.006 0.000 0.194 766 E C 1.702 178.140 176.600 -0.271 0.000 0.997 766 E CA 1.605 57.894 56.400 -0.186 0.000 0.801 766 E CB -0.432 29.162 29.700 -0.177 0.000 0.746 766 E HN 0.385 nan 8.360 nan 0.000 0.450 767 F N 1.251 120.885 119.950 -0.526 0.000 2.102 767 F HA -0.127 4.404 4.527 0.006 0.000 0.298 767 F C 2.283 177.851 175.800 -0.386 0.000 1.105 767 F CA 1.930 59.630 58.000 -0.500 0.000 1.239 767 F CB -0.186 38.444 39.000 -0.616 0.000 0.991 767 F HN 0.072 nan 8.300 nan 0.000 0.474 768 E N 0.404 120.302 120.200 -0.502 0.000 2.097 768 E HA -0.328 4.025 4.350 0.006 0.000 0.196 768 E C 2.116 178.497 176.600 -0.364 0.000 1.000 768 E CA 1.656 57.752 56.400 -0.507 0.000 0.804 768 E CB -0.169 29.199 29.700 -0.553 0.000 0.740 768 E HN 0.211 nan 8.360 nan 0.000 0.454 769 K N 0.907 121.125 120.400 -0.304 0.000 2.097 769 K HA -0.131 4.193 4.320 0.006 0.000 0.205 769 K C 1.659 178.128 176.600 -0.217 0.000 1.050 769 K CA 1.377 57.537 56.287 -0.212 0.000 0.938 769 K CB 0.093 32.495 32.500 -0.162 0.000 0.718 769 K HN 0.013 nan 8.250 nan 0.000 0.442 770 E N -0.662 119.368 120.200 -0.283 0.000 2.400 770 E HA -0.033 4.321 4.350 0.006 0.000 0.195 770 E C 1.554 177.970 176.600 -0.308 0.000 1.012 770 E CA 0.051 56.296 56.400 -0.258 0.000 0.875 770 E CB -0.324 29.244 29.700 -0.220 0.000 0.859 770 E HN 0.269 nan 8.360 nan 0.000 0.498 771 F N 3.299 122.858 119.950 -0.651 0.000 2.101 771 F HA -0.337 4.193 4.527 0.006 0.000 0.298 771 F C 1.959 177.595 175.800 -0.273 0.000 1.076 771 F CA 1.838 59.450 58.000 -0.647 0.000 1.248 771 F CB 0.078 38.654 39.000 -0.707 0.000 0.999 771 F HN -0.073 nan 8.300 nan 0.000 0.488 772 R N -0.279 120.042 120.500 -0.298 0.000 2.193 772 R HA -0.152 4.192 4.340 0.006 0.000 0.229 772 R C 1.573 177.643 176.300 -0.382 0.000 1.110 772 R CA 1.321 57.149 56.100 -0.452 0.000 0.988 772 R CB -0.566 29.473 30.300 -0.435 0.000 0.871 772 R HN 0.415 nan 8.270 nan 0.000 0.458 773 Q N 0.011 119.646 119.800 -0.275 0.000 2.319 773 Q HA 0.223 4.566 4.340 0.006 0.000 0.202 773 Q C 0.177 176.096 176.000 -0.135 0.000 0.896 773 Q CA 0.030 55.723 55.803 -0.183 0.000 0.942 773 Q CB 0.365 29.014 28.738 -0.149 0.000 1.083 773 Q HN 0.191 nan 8.270 nan 0.000 0.510 774 L N 1.155 122.270 121.223 -0.180 0.000 2.452 774 L HA 0.073 4.417 4.340 0.006 0.000 0.267 774 L C 0.834 177.670 176.870 -0.057 0.000 1.188 774 L CA -0.399 54.365 54.840 -0.126 0.000 0.821 774 L CB 0.262 42.207 42.059 -0.190 0.000 1.102 774 L HN 0.258 nan 8.230 nan 0.000 0.470 775 N N 1.088 119.773 118.700 -0.025 0.000 2.479 775 N HA -0.096 4.647 4.740 0.006 0.000 0.257 775 N C 0.840 176.365 175.510 0.025 0.000 1.232 775 N CA 0.027 53.097 53.050 0.033 0.000 0.920 775 N CB 0.843 39.329 38.487 -0.002 0.000 1.105 775 N HN 0.611 nan 8.380 nan 0.000 0.444 776 Y N 2.765 123.023 120.300 -0.071 0.000 2.165 776 Y HA -0.107 4.447 4.550 0.006 0.000 0.286 776 Y C 2.132 177.980 175.900 -0.086 0.000 1.155 776 Y CA 0.835 58.883 58.100 -0.086 0.000 1.164 776 Y CB -0.287 38.126 38.460 -0.079 0.000 0.978 776 Y HN 0.462 nan 8.280 nan 0.000 0.513 777 I N 1.377 121.415 120.570 -0.886 0.000 2.335 777 I HA -0.285 3.888 4.170 0.006 0.000 0.251 777 I C 2.438 178.289 176.117 -0.444 0.000 1.129 777 I CA 1.837 62.647 61.300 -0.816 0.000 1.402 777 I CB -0.408 37.125 38.000 -0.778 0.000 1.069 777 I HN 0.549 nan 8.210 nan 0.000 0.424 778 S N 0.642 116.200 115.700 -0.237 0.000 2.527 778 S HA 0.022 4.496 4.470 0.006 0.000 0.222 778 S C 1.549 176.131 174.600 -0.030 0.000 0.985 778 S CA 0.138 58.282 58.200 -0.094 0.000 0.921 778 S CB -0.421 62.755 63.200 -0.039 0.000 0.772 778 S HN 0.643 nan 8.310 nan 0.000 0.529 779 I N -1.438 119.100 120.570 -0.054 0.000 4.025 779 I HA 0.595 4.769 4.170 0.006 0.000 0.336 779 I C 0.599 176.741 176.117 0.042 0.000 1.390 779 I CA -0.812 60.503 61.300 0.026 0.000 1.099 779 I CB 0.053 38.016 38.000 -0.062 0.000 1.049 779 I HN 0.200 nan 8.210 nan 0.000 0.394 780 A N 1.685 124.488 122.820 -0.029 0.000 2.316 780 A HA 0.670 4.993 4.320 0.006 0.000 0.284 780 A C 0.597 178.214 177.584 0.054 0.000 1.115 780 A CA -0.149 51.890 52.037 0.004 0.000 0.812 780 A CB 0.485 19.415 19.000 -0.116 0.000 1.064 780 A HN 0.504 nan 8.150 nan 0.000 0.489 781 S N 0.531 116.278 115.700 0.078 0.000 2.669 781 S HA 0.711 5.184 4.470 0.006 0.000 0.270 781 S C -0.107 174.509 174.600 0.026 0.000 1.225 781 S CA -0.555 57.686 58.200 0.068 0.000 0.991 781 S CB 1.124 64.374 63.200 0.084 0.000 0.987 781 S HN 0.847 nan 8.310 nan 0.000 0.552 782 V N 0.364 120.256 119.914 -0.037 0.000 3.001 782 V HA 0.919 5.043 4.120 0.006 0.000 0.314 782 V C -0.080 175.903 176.094 -0.184 0.000 1.099 782 V CA -0.634 61.570 62.300 -0.160 0.000 0.989 782 V CB 1.740 33.433 31.823 -0.218 0.000 1.040 782 V HN 1.077 nan 8.190 nan 0.000 0.434 783 S N 0.843 116.388 115.700 -0.259 0.000 2.565 783 S HA 0.532 5.005 4.470 0.006 0.000 0.274 783 S C -0.845 173.569 174.600 -0.309 0.000 1.144 783 S CA -0.436 57.578 58.200 -0.311 0.000 0.849 783 S CB 2.012 64.957 63.200 -0.425 0.000 1.103 783 S HN 0.761 nan 8.310 nan 0.000 0.455 784 S N 1.737 117.261 115.700 -0.294 0.000 2.601 784 S HA 0.686 5.160 4.470 0.006 0.000 0.271 784 S C -0.056 174.481 174.600 -0.105 0.000 1.305 784 S CA -0.188 57.903 58.200 -0.183 0.000 1.022 784 S CB 1.242 64.363 63.200 -0.130 0.000 0.940 784 S HN 1.033 nan 8.310 nan 0.000 0.525 785 A N 3.174 125.984 122.820 -0.016 0.000 2.511 785 A HA 0.472 4.795 4.320 0.006 0.000 0.340 785 A C -0.274 177.358 177.584 0.079 0.000 1.396 785 A CA -0.773 51.319 52.037 0.093 0.000 0.887 785 A CB -0.260 18.763 19.000 0.040 0.000 1.145 785 A HN 0.862 nan 8.150 nan 0.000 0.497 786 N N 1.413 120.187 118.700 0.124 0.000 2.362 786 N HA 0.386 5.130 4.740 0.006 0.000 0.298 786 N C -0.566 175.021 175.510 0.130 0.000 1.048 786 N CA -0.906 52.202 53.050 0.096 0.000 0.858 786 N CB 0.901 39.435 38.487 0.079 0.000 1.218 786 N HN 0.708 nan 8.380 nan 0.000 0.488 787 N N 0.830 119.594 118.700 0.107 0.000 2.758 787 N HA -0.194 4.550 4.740 0.006 0.000 0.248 787 N C 0.484 176.103 175.510 0.182 0.000 1.076 787 N CA -0.173 52.949 53.050 0.121 0.000 0.696 787 N CB -1.052 37.535 38.487 0.166 0.000 0.979 787 N HN 0.553 nan 8.380 nan 0.000 0.550 788 I N 0.439 121.099 120.570 0.150 0.000 2.076 788 I HA -0.335 3.838 4.170 0.006 0.000 0.237 788 I C 2.703 178.919 176.117 0.164 0.000 1.059 788 I CA 1.888 63.290 61.300 0.170 0.000 1.317 788 I CB -0.552 37.565 38.000 0.195 0.000 1.037 788 I HN 0.485 nan 8.210 nan 0.000 0.398 789 A N 0.944 123.805 122.820 0.070 0.000 1.940 789 A HA -0.364 3.960 4.320 0.006 0.000 0.221 789 A C 2.375 179.906 177.584 -0.088 0.000 1.190 789 A CA 2.613 54.575 52.037 -0.124 0.000 0.647 789 A CB -0.913 17.747 19.000 -0.568 0.000 0.821 789 A HN 0.498 nan 8.150 nan 0.000 0.457 790 K N -1.662 118.677 120.400 -0.102 0.000 2.127 790 K HA -0.219 4.105 4.320 0.006 0.000 0.208 790 K C 0.497 176.894 176.600 -0.338 0.000 1.047 790 K CA 2.015 58.148 56.287 -0.256 0.000 0.927 790 K CB -0.292 31.980 32.500 -0.381 0.000 0.716 790 K HN 0.625 nan 8.250 nan 0.000 0.450 791 Y N 0.176 120.464 120.300 -0.020 0.000 2.720 791 Y HA 0.131 4.685 4.550 0.006 0.000 0.277 791 Y C 1.066 176.975 175.900 0.014 0.000 1.144 791 Y CA -0.582 57.516 58.100 -0.003 0.000 1.221 791 Y CB 0.232 38.685 38.460 -0.012 0.000 1.163 791 Y HN 0.109 nan 8.280 nan 0.000 0.537 792 D N 0.490 120.959 120.400 0.115 0.000 2.084 792 D HA -0.153 4.491 4.640 0.006 0.000 0.194 792 D C 1.268 177.637 176.300 0.114 0.000 0.990 792 D CA 1.388 55.450 54.000 0.104 0.000 0.826 792 D CB 0.147 40.991 40.800 0.073 0.000 0.971 792 D HN 0.015 nan 8.370 nan 0.000 0.453 793 V N 0.074 120.042 119.914 0.091 0.000 5.257 793 V HA -0.226 3.898 4.120 0.006 0.000 0.265 793 V C 0.873 177.064 176.094 0.161 0.000 0.646 793 V CA 0.882 63.246 62.300 0.108 0.000 0.650 793 V CB -2.454 29.443 31.823 0.123 0.000 0.424 793 V HN 0.580 nan 8.190 nan 0.000 0.862 794 G N 0.089 108.969 108.800 0.134 0.000 2.381 794 G HA2 0.209 4.173 3.960 0.006 0.000 0.281 794 G HA3 0.209 4.173 3.960 0.006 0.000 0.281 794 G C 1.300 176.334 174.900 0.223 0.000 0.984 794 G CA 0.614 45.812 45.100 0.163 0.000 1.339 794 G HN 2.574 nan 8.290 nan 0.000 0.485 795 G N -1.358 107.480 108.800 0.063 0.000 2.180 795 G HA2 -0.130 3.834 3.960 0.006 0.000 0.263 795 G HA3 -0.130 3.834 3.960 0.006 0.000 0.263 795 G C 0.276 174.848 174.900 -0.548 0.000 0.989 795 G CA 1.084 46.067 45.100 -0.195 0.000 0.692 795 G HN 1.565 nan 8.290 nan 0.000 0.526 796 F N 0.313 120.291 119.950 0.048 0.000 2.613 796 F HA 0.564 5.095 4.527 0.006 0.000 0.310 796 F C -2.062 173.770 175.800 0.052 0.000 1.085 796 F CA -2.280 55.745 58.000 0.043 0.000 0.945 796 F CB 2.162 41.183 39.000 0.034 0.000 1.298 796 F HN -0.182 nan 8.300 nan 0.000 0.455 797 P HA 0.151 nan 4.420 nan 0.000 0.266 797 P C -0.317 177.086 177.300 0.171 0.000 1.195 797 P CA 0.266 63.460 63.100 0.156 0.000 0.768 797 P CB 0.874 32.640 31.700 0.111 0.000 0.838 798 G N 2.695 111.610 108.800 0.192 0.000 2.857 798 G HA2 0.529 4.492 3.960 0.006 0.000 0.217 798 G HA3 0.529 4.492 3.960 0.006 0.000 0.217 798 G C -2.639 172.368 174.900 0.177 0.000 1.357 798 G CA -1.414 43.791 45.100 0.175 0.000 1.033 798 G HN 0.303 nan 8.290 nan 0.000 0.571 799 P HA 0.239 nan 4.420 nan 0.000 0.271 799 P C -0.180 177.246 177.300 0.210 0.000 1.233 799 P CA 0.150 63.331 63.100 0.136 0.000 0.764 799 P CB 1.026 32.775 31.700 0.081 0.000 0.825 800 K N 1.399 121.887 120.400 0.147 0.000 3.117 800 K HA -0.216 4.107 4.320 0.006 0.000 0.269 800 K C -0.395 176.247 176.600 0.069 0.000 1.098 800 K CA 0.040 56.402 56.287 0.125 0.000 0.785 800 K CB -1.598 30.992 32.500 0.149 0.000 1.242 800 K HN 0.553 nan 8.250 nan 0.000 0.491 801 C N 1.898 121.214 119.300 0.027 0.000 2.624 801 C HA 0.308 4.772 4.460 0.006 0.000 0.397 801 C C -1.776 173.042 174.990 -0.287 0.000 1.331 801 C CA -1.684 57.176 59.018 -0.263 0.000 1.716 801 C CB -0.486 27.222 27.740 -0.054 0.000 2.452 801 C HN 0.368 nan 8.230 nan 0.000 0.586 802 P HA 0.025 nan 4.420 nan 0.000 0.266 802 P C 0.589 177.778 177.300 -0.185 0.000 1.195 802 P CA 0.081 62.995 63.100 -0.311 0.000 0.768 802 P CB 0.215 31.603 31.700 -0.521 0.000 0.838 803 F N 3.400 123.267 119.950 -0.138 0.000 2.063 803 F HA -0.306 4.225 4.527 0.006 0.000 0.298 803 F C 2.506 178.267 175.800 -0.064 0.000 1.109 803 F CA 2.197 60.163 58.000 -0.056 0.000 1.212 803 F CB -0.588 38.426 39.000 0.024 0.000 0.973 803 F HN 0.525 nan 8.300 nan 0.000 0.480 804 H N -0.721 118.351 119.070 0.003 0.000 2.389 804 H HA -0.105 4.454 4.556 0.006 0.000 0.299 804 H C 2.281 177.528 175.328 -0.136 0.000 1.081 804 H CA 1.700 57.681 56.048 -0.112 0.000 1.345 804 H CB -1.068 28.657 29.762 -0.061 0.000 1.393 804 H HN 0.242 nan 8.280 nan 0.000 0.520 805 I N 1.776 121.945 120.570 -0.668 0.000 2.179 805 I HA -0.219 3.955 4.170 0.006 0.000 0.242 805 I C 2.945 178.927 176.117 -0.225 0.000 1.088 805 I CA 1.140 62.202 61.300 -0.398 0.000 1.357 805 I CB -1.059 36.648 38.000 -0.488 0.000 1.051 805 I HN 0.248 nan 8.210 nan 0.000 0.409 806 R N 1.360 121.716 120.500 -0.239 0.000 2.115 806 R HA -0.200 4.143 4.340 0.006 0.000 0.239 806 R C 2.367 178.572 176.300 -0.158 0.000 1.133 806 R CA 2.312 58.320 56.100 -0.154 0.000 0.935 806 R CB -0.906 29.312 30.300 -0.137 0.000 0.853 806 R HN 0.368 nan 8.270 nan 0.000 0.433 807 G N 0.873 109.524 108.800 -0.249 0.000 2.499 807 G HA2 -0.228 3.735 3.960 0.006 0.000 0.221 807 G HA3 -0.228 3.735 3.960 0.006 0.000 0.221 807 G C 1.475 176.328 174.900 -0.077 0.000 1.109 807 G CA 1.056 46.029 45.100 -0.211 0.000 0.749 807 G HN 0.371 nan 8.290 nan 0.000 0.568 808 I N 0.005 120.541 120.570 -0.057 0.000 2.235 808 I HA -0.034 4.139 4.170 0.006 0.000 0.241 808 I C 2.647 178.809 176.117 0.074 0.000 1.085 808 I CA 0.456 61.774 61.300 0.031 0.000 1.378 808 I CB -0.257 37.750 38.000 0.013 0.000 1.076 808 I HN 0.107 nan 8.210 nan 0.000 0.415 809 L N 0.701 121.926 121.223 0.004 0.000 2.081 809 L HA -0.241 4.102 4.340 0.006 0.000 0.212 809 L C 2.820 179.649 176.870 -0.069 0.000 1.080 809 L CA 2.104 56.925 54.840 -0.032 0.000 0.754 809 L CB -1.204 40.824 42.059 -0.052 0.000 0.893 809 L HN 0.472 nan 8.230 nan 0.000 0.433 810 T N -3.010 111.519 114.554 -0.041 0.000 2.915 810 T HA -0.254 4.099 4.350 0.006 0.000 0.269 810 T C 1.783 176.501 174.700 0.030 0.000 1.071 810 T CA 0.986 63.067 62.100 -0.031 0.000 1.132 810 T CB -0.446 68.410 68.868 -0.021 0.000 0.878 810 T HN 0.393 nan 8.240 nan 0.000 0.479 811 Y N 3.210 123.470 120.300 -0.066 0.000 2.109 811 Y HA -0.000 4.553 4.550 0.006 0.000 0.285 811 Y C 2.208 178.099 175.900 -0.015 0.000 1.131 811 Y CA 1.695 59.775 58.100 -0.034 0.000 1.121 811 Y CB -0.702 37.759 38.460 0.002 0.000 0.987 811 Y HN 0.157 nan 8.280 nan 0.000 0.495 812 N N 0.640 119.271 118.700 -0.114 0.000 2.334 812 N HA -0.205 4.538 4.740 0.006 0.000 0.187 812 N C 1.893 177.281 175.510 -0.205 0.000 1.016 812 N CA 1.469 54.389 53.050 -0.216 0.000 0.879 812 N CB -0.451 37.991 38.487 -0.074 0.000 0.965 812 N HN 0.445 nan 8.380 nan 0.000 0.438 813 R N 0.533 120.937 120.500 -0.160 0.000 2.119 813 R HA 0.142 4.485 4.340 0.006 0.000 0.222 813 R C 1.822 178.066 176.300 -0.093 0.000 1.088 813 R CA 0.873 56.886 56.100 -0.145 0.000 0.984 813 R CB -0.001 30.186 30.300 -0.189 0.000 0.884 813 R HN 0.155 nan 8.270 nan 0.000 0.447 814 A N 0.566 123.352 122.820 -0.057 0.000 2.169 814 A HA 0.034 4.357 4.320 0.006 0.000 0.212 814 A C 1.674 179.208 177.584 -0.083 0.000 1.153 814 A CA 0.658 52.709 52.037 0.024 0.000 0.756 814 A CB -0.243 18.940 19.000 0.306 0.000 0.813 814 A HN 0.529 nan 8.150 nan 0.000 0.471 815 I N -5.504 114.939 120.570 -0.212 0.000 4.240 815 I HA 0.318 4.492 4.170 0.006 0.000 0.331 815 I C 0.446 176.469 176.117 -0.157 0.000 1.381 815 I CA -0.542 60.629 61.300 -0.214 0.000 1.136 815 I CB 0.174 37.947 38.000 -0.379 0.000 1.137 815 I HN -0.187 nan 8.210 nan 0.000 0.411 816 K N 3.281 123.597 120.400 -0.140 0.000 2.473 816 K HA 0.136 4.460 4.320 0.006 0.000 0.277 816 K C 0.921 177.482 176.600 -0.065 0.000 1.052 816 K CA 1.868 58.096 56.287 -0.098 0.000 1.114 816 K CB 0.022 32.472 32.500 -0.082 0.000 0.869 816 K HN 0.708 nan 8.250 nan 0.000 0.481 817 G N 4.428 113.199 108.800 -0.049 0.000 4.013 817 G HA2 -0.337 3.627 3.960 0.006 0.000 0.255 817 G HA3 -0.337 3.627 3.960 0.006 0.000 0.255 817 G C -0.132 174.756 174.900 -0.020 0.000 1.765 817 G CA 0.070 45.153 45.100 -0.028 0.000 1.396 817 G HN 0.851 nan 8.290 nan 0.000 0.605 818 N N 2.299 120.986 118.700 -0.022 0.000 2.576 818 N HA 0.276 5.020 4.740 0.006 0.000 0.307 818 N C 0.468 175.977 175.510 -0.002 0.000 1.213 818 N CA 0.118 53.163 53.050 -0.008 0.000 1.156 818 N CB -0.504 37.977 38.487 -0.009 0.000 1.463 818 N HN 0.623 nan 8.380 nan 0.000 0.504 819 I N 0.991 121.566 120.570 0.009 0.000 2.886 819 I HA -0.090 4.084 4.170 0.006 0.000 0.293 819 I C 0.463 176.606 176.117 0.043 0.000 1.157 819 I CA 0.643 61.956 61.300 0.022 0.000 1.472 819 I CB -0.144 37.876 38.000 0.034 0.000 1.492 819 I HN 0.664 nan 8.210 nan 0.000 0.652 820 D N 3.486 123.913 120.400 0.045 0.000 1.638 820 D HA 0.050 4.694 4.640 0.006 0.000 0.722 820 D C 0.414 176.762 176.300 0.080 0.000 0.662 820 D CA 0.029 54.069 54.000 0.067 0.000 1.220 820 D CB 0.073 40.906 40.800 0.055 0.000 1.303 820 D HN 0.376 nan 8.370 nan 0.000 0.452 821 A N 2.311 125.162 122.820 0.052 0.000 2.450 821 A HA 0.514 4.837 4.320 0.006 0.000 0.255 821 A C -2.133 175.508 177.584 0.095 0.000 1.096 821 A CA -0.689 51.389 52.037 0.069 0.000 0.778 821 A CB -0.119 18.884 19.000 0.005 0.000 1.031 821 A HN 0.147 nan 8.150 nan 0.000 0.494 822 P HA -0.020 nan 4.420 nan 0.000 0.260 822 P C -0.759 176.613 177.300 0.121 0.000 1.172 822 P CA 0.410 63.563 63.100 0.088 0.000 0.760 822 P CB 0.451 32.213 31.700 0.104 0.000 0.773 823 Q N 1.934 121.725 119.800 -0.016 0.000 2.261 823 Q HA 0.253 4.596 4.340 0.006 0.000 0.252 823 Q C 0.003 175.991 176.000 -0.021 0.000 0.915 823 Q CA -0.839 54.973 55.803 0.016 0.000 0.915 823 Q CB 1.293 29.990 28.738 -0.069 0.000 1.204 823 Q HN 0.265 nan 8.270 nan 0.000 0.421 824 V N 3.228 123.181 119.914 0.065 0.000 2.485 824 V HA 0.012 4.136 4.120 0.006 0.000 0.287 824 V C 0.224 176.280 176.094 -0.063 0.000 1.022 824 V CA -0.077 62.210 62.300 -0.022 0.000 1.067 824 V CB 0.725 32.555 31.823 0.011 0.000 0.967 824 V HN 0.446 nan 8.190 nan 0.000 0.479 825 V N 5.323 125.178 119.914 -0.097 0.000 2.432 825 V HA 0.192 4.316 4.120 0.006 0.000 0.271 825 V C 0.642 176.712 176.094 -0.039 0.000 1.046 825 V CA -0.654 61.597 62.300 -0.082 0.000 0.945 825 V CB 1.237 32.995 31.823 -0.107 0.000 0.992 825 V HN 0.820 nan 8.190 nan 0.000 0.471 826 E N 3.357 123.562 120.200 0.008 0.000 2.694 826 E HA 0.083 4.436 4.350 0.006 0.000 0.250 826 E C 1.246 177.851 176.600 0.009 0.000 0.963 826 E CA 1.349 57.779 56.400 0.051 0.000 0.949 826 E CB 0.493 30.269 29.700 0.126 0.000 0.911 826 E HN 1.077 nan 8.360 nan 0.000 0.500 827 G N 4.103 112.903 108.800 -0.000 0.000 2.194 827 G HA2 -0.200 3.763 3.960 0.006 0.000 0.236 827 G HA3 -0.200 3.763 3.960 0.006 0.000 0.236 827 G C 0.256 175.118 174.900 -0.063 0.000 0.987 827 G CA 0.261 45.343 45.100 -0.030 0.000 0.635 827 G HN 0.514 nan 8.290 nan 0.000 0.520 828 E N 0.270 120.427 120.200 -0.072 0.000 2.330 828 E HA 0.545 4.898 4.350 0.006 0.000 0.256 828 E C 0.265 176.787 176.600 -0.131 0.000 1.146 828 E CA -0.593 55.747 56.400 -0.100 0.000 0.945 828 E CB 0.588 30.221 29.700 -0.112 0.000 1.182 828 E HN 0.114 nan 8.360 nan 0.000 0.480 829 K N 0.699 120.996 120.400 -0.172 0.000 2.118 829 K HA 0.418 4.741 4.320 0.006 0.000 0.264 829 K C -0.036 176.346 176.600 -0.363 0.000 1.000 829 K CA -0.536 55.595 56.287 -0.260 0.000 0.929 829 K CB 1.160 33.476 32.500 -0.306 0.000 1.021 829 K HN 0.417 nan 8.250 nan 0.000 0.463 830 V N -0.871 118.789 119.914 -0.423 0.000 2.971 830 V HA 0.471 4.595 4.120 0.006 0.000 0.309 830 V C -1.247 174.460 176.094 -0.644 0.000 1.130 830 V CA -1.152 60.832 62.300 -0.526 0.000 0.964 830 V CB 1.357 32.977 31.823 -0.338 0.000 1.029 830 V HN 0.522 nan 8.190 nan 0.000 0.427 831 Y N 2.013 121.785 120.300 -0.879 0.000 2.301 831 Y HA 0.761 5.314 4.550 0.006 0.000 0.325 831 Y C 0.395 175.771 175.900 -0.874 0.000 1.203 831 Y CA -0.604 56.866 58.100 -1.050 0.000 1.255 831 Y CB 1.818 39.155 38.460 -1.873 0.000 1.232 831 Y HN 0.632 nan 8.280 nan 0.000 0.501 832 V N 4.993 124.752 119.914 -0.258 0.000 2.686 832 V HA 0.502 4.626 4.120 0.006 0.000 0.306 832 V C -0.692 175.460 176.094 0.096 0.000 1.065 832 V CA -1.045 61.216 62.300 -0.066 0.000 0.894 832 V CB 2.078 33.885 31.823 -0.027 0.000 1.004 832 V HN 0.541 nan 8.190 nan 0.000 0.424 833 L N 5.908 127.237 121.223 0.177 0.000 2.401 833 L HA 0.633 4.976 4.340 0.006 0.000 0.266 833 L C -2.658 174.284 176.870 0.121 0.000 0.991 833 L CA -1.728 53.221 54.840 0.182 0.000 0.818 833 L CB 3.633 45.836 42.059 0.241 0.000 1.321 833 L HN 0.418 nan 8.230 nan 0.000 0.413 834 P HA 0.281 nan 4.420 nan 0.000 0.292 834 P C -1.353 176.043 177.300 0.160 0.000 1.287 834 P CA -0.507 62.715 63.100 0.203 0.000 0.800 834 P CB 1.702 33.570 31.700 0.280 0.000 0.945 835 L N 4.414 125.734 121.223 0.160 0.000 2.307 835 L HA 0.432 4.775 4.340 0.006 0.000 0.284 835 L C 1.234 178.253 176.870 0.249 0.000 1.023 835 L CA -0.620 54.347 54.840 0.212 0.000 0.810 835 L CB 0.806 42.973 42.059 0.180 0.000 1.231 835 L HN 0.339 nan 8.230 nan 0.000 0.423 836 R N 1.327 122.024 120.500 0.328 0.000 2.801 836 R HA 0.198 4.542 4.340 0.006 0.000 0.273 836 R C -0.210 176.281 176.300 0.318 0.000 1.080 836 R CA -0.600 55.691 56.100 0.318 0.000 1.197 836 R CB 0.298 30.804 30.300 0.342 0.000 1.109 836 R HN 0.498 nan 8.270 nan 0.000 0.535 837 E N 0.265 120.616 120.200 0.252 0.000 2.465 837 E HA 0.055 4.409 4.350 0.006 0.000 0.260 837 E C 0.702 177.445 176.600 0.240 0.000 0.980 837 E CA 0.855 57.371 56.400 0.193 0.000 0.927 837 E CB 0.435 30.229 29.700 0.156 0.000 0.934 837 E HN 0.841 nan 8.360 nan 0.000 0.459 838 G N 3.226 112.065 108.800 0.066 0.000 2.195 838 G HA2 -0.285 3.678 3.960 0.006 0.000 0.224 838 G HA3 -0.285 3.678 3.960 0.006 0.000 0.224 838 G C 0.063 174.512 174.900 -0.751 0.000 0.990 838 G CA 0.007 45.071 45.100 -0.061 0.000 0.639 838 G HN 0.706 nan 8.290 nan 0.000 0.514 839 N N 1.308 119.486 118.700 -0.870 0.000 2.395 839 N HA 0.407 5.150 4.740 0.006 0.000 0.246 839 N C -0.713 174.246 175.510 -0.919 0.000 1.246 839 N CA -0.597 51.553 53.050 -1.499 0.000 0.879 839 N CB 0.778 39.027 38.487 -0.396 0.000 1.098 839 N HN 0.165 nan 8.380 nan 0.000 0.444 840 P HA -0.095 nan 4.420 nan 0.000 0.239 840 P C 0.061 176.999 177.300 -0.603 0.000 1.184 840 P CA 0.883 63.561 63.100 -0.703 0.000 0.760 840 P CB -0.056 31.210 31.700 -0.724 0.000 0.884 841 F N 0.264 120.060 119.950 -0.257 0.000 2.569 841 F HA 0.313 4.843 4.527 0.006 0.000 0.295 841 F C 1.804 177.551 175.800 -0.088 0.000 1.115 841 F CA 0.968 58.885 58.000 -0.137 0.000 1.450 841 F CB -0.867 38.074 39.000 -0.099 0.000 1.107 841 F HN 0.019 nan 8.300 nan 0.000 0.563 842 G N 1.101 109.931 108.800 0.051 0.000 2.291 842 G HA2 -0.171 3.793 3.960 0.006 0.000 0.271 842 G HA3 -0.171 3.793 3.960 0.006 0.000 0.271 842 G C -0.669 174.290 174.900 0.099 0.000 1.099 842 G CA 0.140 45.275 45.100 0.059 0.000 0.919 842 G HN 0.323 nan 8.290 nan 0.000 0.496 843 D N -1.655 118.799 120.400 0.091 0.000 2.798 843 D HA 0.153 4.796 4.640 0.006 0.000 0.265 843 D C 1.115 177.464 176.300 0.082 0.000 1.223 843 D CA -0.135 53.915 54.000 0.083 0.000 0.743 843 D CB 0.400 41.236 40.800 0.059 0.000 1.276 843 D HN 0.233 nan 8.370 nan 0.000 0.421 844 K N -1.015 119.439 120.400 0.090 0.000 2.444 844 K HA 0.274 4.598 4.320 0.006 0.000 0.193 844 K C 0.621 177.275 176.600 0.090 0.000 1.024 844 K CA 0.098 56.465 56.287 0.135 0.000 1.077 844 K CB -0.335 32.295 32.500 0.217 0.000 0.833 844 K HN 0.449 nan 8.250 nan 0.000 0.517 845 C N -1.451 117.813 119.300 -0.060 0.000 3.312 845 C HA 0.746 5.210 4.460 0.006 0.000 0.332 845 C C -1.273 173.604 174.990 -0.188 0.000 1.340 845 C CA -1.361 57.549 59.018 -0.179 0.000 1.265 845 C CB 0.781 28.156 27.740 -0.609 0.000 1.563 845 C HN 0.390 nan 8.230 nan 0.000 0.471 846 I N 1.216 121.700 120.570 -0.143 0.000 2.802 846 I HA 0.768 4.941 4.170 0.006 0.000 0.298 846 I C -0.471 175.680 176.117 0.057 0.000 1.176 846 I CA -0.379 60.864 61.300 -0.095 0.000 1.025 846 I CB 2.130 39.986 38.000 -0.240 0.000 1.243 846 I HN 1.348 nan 8.210 nan 0.000 0.424 847 A N 5.402 128.263 122.820 0.068 0.000 2.435 847 A HA 0.884 5.207 4.320 0.006 0.000 0.304 847 A C -2.031 175.502 177.584 -0.084 0.000 1.064 847 A CA -0.444 51.608 52.037 0.025 0.000 0.727 847 A CB 1.249 20.186 19.000 -0.106 0.000 1.284 847 A HN 0.872 nan 8.150 nan 0.000 0.415 848 W N 0.150 121.197 121.300 -0.423 0.000 3.213 848 W HA 0.675 5.338 4.660 0.006 0.000 0.318 848 W C -3.446 172.876 176.519 -0.328 0.000 1.248 848 W CA -2.493 54.452 57.345 -0.666 0.000 1.187 848 W CB 0.225 29.311 29.460 -0.624 0.000 1.403 848 W HN 0.458 nan 8.180 nan 0.000 0.556 849 P HA -0.034 nan 4.420 nan 0.000 0.263 849 P C 0.279 177.330 177.300 -0.414 0.000 1.168 849 P CA 0.804 63.728 63.100 -0.292 0.000 0.759 849 P CB 0.648 32.270 31.700 -0.131 0.000 0.782 850 S N 2.105 117.439 115.700 -0.610 0.000 2.624 850 S HA 0.480 4.953 4.470 0.006 0.000 0.263 850 S C 1.264 175.627 174.600 -0.395 0.000 1.287 850 S CA 0.071 57.692 58.200 -0.965 0.000 0.990 850 S CB 0.228 62.701 63.200 -1.211 0.000 0.950 850 S HN 0.924 nan 8.310 nan 0.000 0.561 851 G N -0.110 108.563 108.800 -0.213 0.000 2.168 851 G HA2 -0.177 3.786 3.960 0.006 0.000 0.257 851 G HA3 -0.177 3.786 3.960 0.006 0.000 0.257 851 G C 0.231 175.225 174.900 0.157 0.000 0.997 851 G CA 0.821 45.942 45.100 0.035 0.000 0.708 851 G HN 1.818 nan 8.290 nan 0.000 0.520 852 T N -3.562 111.154 114.554 0.270 0.000 2.812 852 T HA 0.712 5.065 4.350 0.006 0.000 0.294 852 T C -0.740 174.202 174.700 0.404 0.000 1.159 852 T CA -0.629 61.633 62.100 0.270 0.000 1.008 852 T CB 2.712 71.721 68.868 0.236 0.000 1.289 852 T HN 0.144 nan 8.240 nan 0.000 0.514 853 E N 0.572 120.954 120.200 0.303 0.000 2.227 853 E HA 0.477 4.830 4.350 0.006 0.000 0.268 853 E C -0.008 176.712 176.600 0.200 0.000 0.990 853 E CA -0.816 55.763 56.400 0.297 0.000 0.856 853 E CB 1.868 31.695 29.700 0.211 0.000 1.159 853 E HN 0.608 nan 8.360 nan 0.000 0.401 854 I N 0.731 121.252 120.570 -0.082 0.000 2.779 854 I HA 0.004 4.178 4.170 0.006 0.000 0.285 854 I C 1.138 177.221 176.117 -0.057 0.000 1.134 854 I CA -0.500 60.602 61.300 -0.329 0.000 1.398 854 I CB -0.024 37.537 38.000 -0.731 0.000 1.404 854 I HN 0.463 nan 8.210 nan 0.000 0.587 855 T N -0.261 114.315 114.554 0.036 0.000 2.933 855 T HA -0.062 4.291 4.350 0.006 0.000 0.306 855 T C 0.758 175.469 174.700 0.017 0.000 1.045 855 T CA -0.446 61.692 62.100 0.064 0.000 1.143 855 T CB 0.461 69.386 68.868 0.094 0.000 1.003 855 T HN 0.561 nan 8.240 nan 0.000 0.540 856 D N 1.420 121.835 120.400 0.025 0.000 2.271 856 D HA -0.101 4.542 4.640 0.006 0.000 0.207 856 D C 1.975 178.277 176.300 0.003 0.000 0.983 856 D CA 1.144 55.148 54.000 0.006 0.000 0.878 856 D CB -0.159 40.653 40.800 0.020 0.000 0.920 856 D HN 0.790 nan 8.370 nan 0.000 0.479 857 L N -0.425 120.807 121.223 0.015 0.000 2.017 857 L HA -0.059 4.284 4.340 0.006 0.000 0.208 857 L C 2.464 179.347 176.870 0.020 0.000 1.073 857 L CA 1.263 56.111 54.840 0.014 0.000 0.745 857 L CB -0.923 41.144 42.059 0.013 0.000 0.894 857 L HN -0.000 nan 8.230 nan 0.000 0.432 858 I N -2.781 117.813 120.570 0.041 0.000 3.783 858 I HA 0.077 4.251 4.170 0.006 0.000 0.310 858 I C 2.436 178.587 176.117 0.057 0.000 1.274 858 I CA 0.281 61.643 61.300 0.104 0.000 1.294 858 I CB -0.183 37.942 38.000 0.208 0.000 1.051 858 I HN 0.202 nan 8.210 nan 0.000 0.435 859 K N 1.910 122.280 120.400 -0.049 0.000 2.077 859 K HA -0.267 4.056 4.320 0.006 0.000 0.213 859 K C 1.516 178.033 176.600 -0.138 0.000 1.051 859 K CA 2.602 58.787 56.287 -0.169 0.000 0.929 859 K CB -0.205 32.185 32.500 -0.185 0.000 0.715 859 K HN 0.412 nan 8.250 nan 0.000 0.451 860 D N 0.501 120.869 120.400 -0.054 0.000 2.219 860 D HA -0.120 4.524 4.640 0.006 0.000 0.205 860 D C 1.430 177.780 176.300 0.084 0.000 0.970 860 D CA 0.933 54.925 54.000 -0.014 0.000 0.851 860 D CB -0.123 40.675 40.800 -0.004 0.000 0.943 860 D HN 0.314 nan 8.370 nan 0.000 0.488 861 D N 0.329 120.819 120.400 0.150 0.000 2.091 861 D HA -0.115 4.528 4.640 0.006 0.000 0.199 861 D C 2.220 178.807 176.300 0.478 0.000 0.980 861 D CA 0.438 54.629 54.000 0.319 0.000 0.831 861 D CB -0.517 40.437 40.800 0.256 0.000 0.987 861 D HN 0.034 nan 8.370 nan 0.000 0.460 862 V N 0.875 120.997 119.914 0.348 0.000 2.392 862 V HA -0.215 3.908 4.120 0.006 0.000 0.249 862 V C 2.204 178.350 176.094 0.085 0.000 1.059 862 V CA 1.429 63.829 62.300 0.167 0.000 1.051 862 V CB -0.453 31.278 31.823 -0.154 0.000 0.658 862 V HN 0.183 nan 8.190 nan 0.000 0.455 863 L N -0.326 120.885 121.223 -0.020 0.000 2.191 863 L HA -0.131 4.213 4.340 0.006 0.000 0.212 863 L C 2.684 179.591 176.870 0.062 0.000 1.103 863 L CA 1.806 56.608 54.840 -0.063 0.000 0.769 863 L CB -0.741 41.225 42.059 -0.156 0.000 0.908 863 L HN 0.523 nan 8.230 nan 0.000 0.438 864 H N -1.280 117.808 119.070 0.030 0.000 2.465 864 H HA -0.085 4.475 4.556 0.006 0.000 0.289 864 H C 0.817 176.032 175.328 -0.189 0.000 1.022 864 H CA 0.953 56.949 56.048 -0.088 0.000 1.340 864 H CB 0.222 29.905 29.762 -0.132 0.000 1.437 864 H HN 0.307 nan 8.280 nan 0.000 0.539 865 W N 1.085 122.544 121.300 0.266 0.000 3.151 865 W HA 0.298 4.962 4.660 0.006 0.000 0.424 865 W C 0.132 176.738 176.519 0.145 0.000 1.012 865 W CA -0.449 57.035 57.345 0.231 0.000 2.018 865 W CB -0.123 29.500 29.460 0.272 0.000 1.087 865 W HN -0.087 nan 8.180 nan 0.000 0.740 866 M N 1.320 121.049 119.600 0.215 0.000 2.219 866 M HA -0.004 4.479 4.480 0.006 0.000 0.353 866 M C 0.343 176.707 176.300 0.105 0.000 1.304 866 M CA 0.588 55.926 55.300 0.063 0.000 1.115 866 M CB 0.492 32.967 32.600 -0.209 0.000 1.664 866 M HN -0.168 nan 8.290 nan 0.000 0.459 867 D N 3.186 123.648 120.400 0.103 0.000 2.563 867 D HA 0.061 4.705 4.640 0.006 0.000 0.222 867 D C 0.435 176.832 176.300 0.161 0.000 1.145 867 D CA 0.106 54.208 54.000 0.171 0.000 1.001 867 D CB 0.081 40.992 40.800 0.184 0.000 1.049 867 D HN 0.468 nan 8.370 nan 0.000 0.515 868 Y N 0.690 121.086 120.300 0.161 0.000 2.256 868 Y HA -0.221 4.333 4.550 0.006 0.000 0.288 868 Y C 2.536 178.603 175.900 0.278 0.000 1.155 868 Y CA 1.172 59.430 58.100 0.264 0.000 1.203 868 Y CB -0.083 38.496 38.460 0.199 0.000 0.980 868 Y HN 0.255 nan 8.280 nan 0.000 0.530 869 T N -0.838 113.902 114.554 0.309 0.000 2.777 869 T HA -0.151 4.203 4.350 0.006 0.000 0.266 869 T C 2.100 176.882 174.700 0.137 0.000 1.040 869 T CA 1.458 63.667 62.100 0.183 0.000 1.141 869 T CB -0.584 68.367 68.868 0.138 0.000 0.868 869 T HN 0.098 nan 8.240 nan 0.000 0.444 870 V N 1.345 121.348 119.914 0.147 0.000 2.427 870 V HA -0.060 4.064 4.120 0.006 0.000 0.248 870 V C 2.458 178.624 176.094 0.120 0.000 1.051 870 V CA 1.254 63.624 62.300 0.117 0.000 1.048 870 V CB -0.537 31.364 31.823 0.129 0.000 0.666 870 V HN 0.431 nan 8.190 nan 0.000 0.456 871 L N -0.926 120.401 121.223 0.172 0.000 2.083 871 L HA -0.196 4.147 4.340 0.006 0.000 0.209 871 L C 2.398 179.355 176.870 0.146 0.000 1.083 871 L CA 1.448 56.416 54.840 0.214 0.000 0.752 871 L CB -0.330 41.923 42.059 0.322 0.000 0.899 871 L HN 0.355 nan 8.230 nan 0.000 0.433 872 L N 0.006 121.219 121.223 -0.017 0.000 2.072 872 L HA -0.194 4.150 4.340 0.006 0.000 0.205 872 L C 2.423 179.283 176.870 -0.016 0.000 1.079 872 L CA 1.766 56.416 54.840 -0.317 0.000 0.752 872 L CB -0.329 41.412 42.059 -0.530 0.000 0.906 872 L HN 0.239 nan 8.230 nan 0.000 0.436 873 E N -0.010 120.202 120.200 0.021 0.000 2.015 873 E HA -0.220 4.133 4.350 0.006 0.000 0.191 873 E C 2.164 178.770 176.600 0.009 0.000 0.991 873 E CA 1.822 58.241 56.400 0.031 0.000 0.802 873 E CB -0.264 29.457 29.700 0.035 0.000 0.759 873 E HN 0.391 nan 8.360 nan 0.000 0.447 874 K N -0.657 119.754 120.400 0.018 0.000 2.002 874 K HA -0.104 4.220 4.320 0.006 0.000 0.209 874 K C 2.329 178.933 176.600 0.008 0.000 1.048 874 K CA 2.073 58.358 56.287 -0.003 0.000 0.930 874 K CB -0.357 32.142 32.500 -0.003 0.000 0.714 874 K HN 0.459 nan 8.250 nan 0.000 0.438 875 T N -2.147 112.448 114.554 0.069 0.000 3.054 875 T HA 0.004 4.358 4.350 0.006 0.000 0.259 875 T C 1.451 176.232 174.700 0.134 0.000 1.092 875 T CA 0.248 62.407 62.100 0.098 0.000 1.121 875 T CB 0.006 68.969 68.868 0.159 0.000 0.912 875 T HN 0.120 nan 8.240 nan 0.000 0.489 876 F N 0.780 120.700 119.950 -0.049 0.000 2.534 876 F HA 0.475 5.005 4.527 0.006 0.000 0.274 876 F C 1.766 177.475 175.800 -0.153 0.000 0.917 876 F CA -0.572 57.384 58.000 -0.073 0.000 1.145 876 F CB -0.153 38.844 39.000 -0.004 0.000 1.145 876 F HN -0.053 nan 8.300 nan 0.000 0.746 877 I N 0.858 121.334 120.570 -0.156 0.000 2.099 877 I HA -0.316 3.858 4.170 0.006 0.000 0.239 877 I C 2.535 178.389 176.117 -0.438 0.000 1.066 877 I CA 1.395 62.488 61.300 -0.345 0.000 1.324 877 I CB -0.575 37.405 38.000 -0.034 0.000 1.037 877 I HN 0.108 nan 8.210 nan 0.000 0.401 878 K N 1.011 121.259 120.400 -0.254 0.000 2.015 878 K HA -0.195 4.128 4.320 0.006 0.000 0.216 878 K C -0.360 176.023 176.600 -0.362 0.000 1.052 878 K CA 2.356 58.501 56.287 -0.237 0.000 0.937 878 K CB -1.631 30.784 32.500 -0.141 0.000 0.719 878 K HN 0.246 nan 8.250 nan 0.000 0.446 879 P HA -0.147 nan 4.420 nan 0.000 0.218 879 P C 1.912 178.524 177.300 -1.146 0.000 1.149 879 P CA 1.027 63.760 63.100 -0.611 0.000 0.817 879 P CB -0.037 31.399 31.700 -0.440 0.000 0.785 880 L N -0.084 120.498 121.223 -1.068 0.000 2.056 880 L HA -0.121 4.222 4.340 0.006 0.000 0.207 880 L C 2.709 179.050 176.870 -0.882 0.000 1.078 880 L CA 1.700 55.848 54.840 -1.152 0.000 0.749 880 L CB -0.663 40.660 42.059 -1.227 0.000 0.901 880 L HN -0.061 nan 8.230 nan 0.000 0.433 881 E N 0.229 119.984 120.200 -0.741 0.000 2.118 881 E HA -0.202 4.151 4.350 0.006 0.000 0.195 881 E C 1.924 178.360 176.600 -0.273 0.000 0.992 881 E CA 1.358 57.522 56.400 -0.393 0.000 0.804 881 E CB -0.268 29.294 29.700 -0.229 0.000 0.741 881 E HN 0.597 nan 8.360 nan 0.000 0.458 882 G N 0.333 108.921 108.800 -0.352 0.000 2.459 882 G HA2 -0.256 3.707 3.960 0.006 0.000 0.217 882 G HA3 -0.256 3.707 3.960 0.006 0.000 0.217 882 G C 1.398 176.301 174.900 0.005 0.000 1.183 882 G CA 1.036 46.035 45.100 -0.169 0.000 0.776 882 G HN 0.197 nan 8.290 nan 0.000 0.552 883 F N 1.926 121.793 119.950 -0.138 0.000 2.051 883 F HA -0.071 4.460 4.527 0.006 0.000 0.296 883 F C 3.211 178.755 175.800 -0.426 0.000 1.122 883 F CA 1.441 59.303 58.000 -0.229 0.000 1.201 883 F CB -1.654 37.224 39.000 -0.204 0.000 0.978 883 F HN 0.277 nan 8.300 nan 0.000 0.472 884 T N -2.543 111.932 114.554 -0.130 0.000 2.759 884 T HA -0.221 4.132 4.350 0.006 0.000 0.269 884 T C 2.225 176.858 174.700 -0.111 0.000 1.042 884 T CA 1.640 63.650 62.100 -0.151 0.000 1.140 884 T CB -1.009 67.832 68.868 -0.045 0.000 0.864 884 T HN 0.249 nan 8.240 nan 0.000 0.455 885 S N 1.760 117.418 115.700 -0.070 0.000 2.343 885 S HA -0.014 4.460 4.470 0.006 0.000 0.219 885 S C 2.561 177.140 174.600 -0.036 0.000 1.033 885 S CA 1.556 59.732 58.200 -0.040 0.000 1.014 885 S CB -1.157 62.028 63.200 -0.026 0.000 0.915 885 S HN 0.782 nan 8.310 nan 0.000 0.435 886 A N 1.138 123.951 122.820 -0.012 0.000 1.948 886 A HA 0.136 4.459 4.320 0.006 0.000 0.220 886 A C 2.197 179.776 177.584 -0.008 0.000 1.177 886 A CA 1.906 53.962 52.037 0.032 0.000 0.636 886 A CB -1.137 17.939 19.000 0.127 0.000 0.815 886 A HN 0.878 nan 8.150 nan 0.000 0.449 887 A N -1.182 121.565 122.820 -0.122 0.000 2.302 887 A HA 0.312 4.635 4.320 0.006 0.000 0.219 887 A C 0.448 177.967 177.584 -0.109 0.000 1.243 887 A CA 0.241 52.183 52.037 -0.158 0.000 0.856 887 A CB -0.236 18.515 19.000 -0.415 0.000 0.893 887 A HN 0.331 nan 8.150 nan 0.000 0.491 888 K N -1.094 119.259 120.400 -0.077 0.000 3.974 888 K HA -0.170 4.153 4.320 0.006 0.000 0.280 888 K C -0.775 175.788 176.600 -0.062 0.000 0.949 888 K CA 0.797 57.050 56.287 -0.057 0.000 0.817 888 K CB -2.124 30.348 32.500 -0.048 0.000 1.535 888 K HN 0.619 nan 8.250 nan 0.000 0.444 889 L N 0.155 121.337 121.223 -0.068 0.000 2.671 889 L HA 0.444 4.788 4.340 0.006 0.000 0.259 889 L C -1.349 175.486 176.870 -0.060 0.000 1.021 889 L CA -0.771 54.032 54.840 -0.062 0.000 0.871 889 L CB 2.063 44.075 42.059 -0.078 0.000 1.472 889 L HN 0.140 nan 8.230 nan 0.000 0.410 890 D N 0.665 121.024 120.400 -0.068 0.000 2.646 890 D HA 0.253 4.896 4.640 0.006 0.000 0.245 890 D C -0.466 175.750 176.300 -0.139 0.000 1.099 890 D CA -0.138 53.780 54.000 -0.135 0.000 0.849 890 D CB 1.861 42.553 40.800 -0.180 0.000 1.448 890 D HN 0.504 nan 8.370 nan 0.000 0.489 891 Y N 0.359 120.518 120.300 -0.236 0.000 2.448 891 Y HA 0.239 4.792 4.550 0.006 0.000 0.289 891 Y C 0.955 176.684 175.900 -0.285 0.000 1.114 891 Y CA 0.241 58.142 58.100 -0.332 0.000 1.235 891 Y CB 0.316 38.371 38.460 -0.675 0.000 1.045 891 Y HN 0.246 nan 8.280 nan 0.000 0.554 892 E N 1.929 121.637 120.200 -0.819 0.000 3.351 892 E HA 0.205 4.559 4.350 0.006 0.000 0.220 892 E C -0.435 176.037 176.600 -0.212 0.000 1.150 892 E CA -0.268 55.932 56.400 -0.334 0.000 1.359 892 E CB 0.042 29.538 29.700 -0.339 0.000 1.365 892 E HN 0.266 nan 8.360 nan 0.000 0.434 893 K N 0.119 120.445 120.400 -0.124 0.000 2.413 893 K HA -0.297 4.027 4.320 0.006 0.000 0.244 893 K C -0.283 176.258 176.600 -0.099 0.000 1.515 893 K CA 1.473 57.717 56.287 -0.070 0.000 0.820 893 K CB -0.065 32.431 32.500 -0.006 0.000 0.792 893 K HN 0.205 nan 8.250 nan 0.000 0.941 894 K N -1.796 118.576 120.400 -0.047 0.000 2.617 894 K HA 0.490 4.813 4.320 0.006 0.000 0.293 894 K C -1.895 174.701 176.600 -0.006 0.000 1.034 894 K CA 0.191 56.452 56.287 -0.043 0.000 0.884 894 K CB 1.443 33.915 32.500 -0.046 0.000 1.541 894 K HN 0.581 nan 8.250 nan 0.000 0.409 895 A N 1.784 124.600 122.820 -0.006 0.000 2.901 895 A HA 0.078 4.401 4.320 0.006 0.000 0.289 895 A C 0.931 178.536 177.584 0.036 0.000 1.779 895 A CA 0.966 53.008 52.037 0.008 0.000 1.352 895 A CB -1.497 17.499 19.000 -0.007 0.000 1.008 895 A HN 0.791 nan 8.150 nan 0.000 0.596 896 S N 2.217 117.959 115.700 0.070 0.000 2.448 896 S HA -0.299 4.174 4.470 0.006 0.000 0.247 896 S C 1.373 176.079 174.600 0.177 0.000 1.033 896 S CA 1.445 59.731 58.200 0.145 0.000 1.003 896 S CB -0.651 62.651 63.200 0.170 0.000 0.786 896 S HN 1.768 nan 8.310 nan 0.000 0.495 897 L N -2.031 119.223 121.223 0.053 0.000 5.121 897 L HA -0.246 4.098 4.340 0.006 0.000 0.402 897 L C 0.834 177.605 176.870 -0.164 0.000 0.826 897 L CA 2.063 56.848 54.840 -0.091 0.000 2.021 897 L CB -1.652 40.303 42.059 -0.173 0.000 1.272 897 L HN 0.474 nan 8.230 nan 0.000 0.617 898 F N 0.301 120.344 119.950 0.155 0.000 2.645 898 F HA 0.188 4.719 4.527 0.006 0.000 0.300 898 F C 1.615 177.603 175.800 0.314 0.000 1.115 898 F CA 0.128 58.337 58.000 0.349 0.000 1.355 898 F CB -0.207 38.944 39.000 0.252 0.000 1.026 898 F HN 0.180 nan 8.300 nan 0.000 0.536 899 D N 0.805 121.350 120.400 0.241 0.000 2.469 899 D HA -0.280 4.363 4.640 0.006 0.000 0.216 899 D C 1.068 177.449 176.300 0.135 0.000 1.104 899 D CA 1.619 55.709 54.000 0.149 0.000 0.950 899 D CB -0.280 40.554 40.800 0.056 0.000 1.283 899 D HN 0.149 nan 8.370 nan 0.000 0.502 900 M N 0.733 120.338 119.600 0.008 0.000 3.139 900 M HA 0.123 4.607 4.480 0.006 0.000 0.266 900 M C -0.957 175.254 176.300 -0.149 0.000 1.598 900 M CA 0.465 55.727 55.300 -0.063 0.000 1.645 900 M CB -0.678 31.843 32.600 -0.132 0.000 1.395 900 M HN 0.037 nan 8.290 nan 0.000 0.504 901 F N 0.000 119.987 119.950 0.062 0.000 2.286 901 F HA 0.000 4.531 4.527 0.006 0.000 0.279 901 F CA 0.000 58.043 58.000 0.072 0.000 1.383 901 F CB 0.000 39.074 39.000 0.123 0.000 1.145 901 F HN 0.000 nan 8.300 nan 0.000 0.574