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 2ozs_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 FDF 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 0.000 176.337 176.300 0.062 0.000 1.140 1 M CA 0.000 55.327 55.300 0.046 0.000 0.988 1 M CB 0.000 32.645 32.600 0.074 0.000 1.302 2 K N 1.362 121.805 120.400 0.072 0.000 2.380 2 K HA 0.211 4.536 4.320 0.007 0.000 0.267 2 K C -0.470 176.281 176.600 0.251 0.000 0.990 2 K CA 0.101 56.450 56.287 0.103 0.000 0.946 2 K CB 0.432 32.974 32.500 0.071 0.000 0.937 2 K HN 0.486 nan 8.250 nan 0.000 0.491 3 E N 1.825 122.228 120.200 0.339 0.000 2.283 3 E HA 0.231 4.586 4.350 0.007 0.000 0.278 3 E C -0.826 176.093 176.600 0.532 0.000 1.027 3 E CA -0.388 56.238 56.400 0.377 0.000 0.843 3 E CB 0.644 30.596 29.700 0.420 0.000 1.062 3 E HN 0.318 nan 8.360 nan 0.000 0.401 4 F N 0.322 120.423 119.950 0.252 0.000 2.599 4 F HA 0.458 4.990 4.527 0.008 0.000 0.311 4 F C -0.894 174.886 175.800 -0.034 0.000 1.076 4 F CA -1.608 56.319 58.000 -0.121 0.000 0.937 4 F CB 0.408 39.172 39.000 -0.394 0.000 1.282 4 F HN 0.355 nan 8.300 nan 0.000 0.460 5 Y N 1.382 121.652 120.300 -0.050 0.000 2.300 5 Y HA 0.639 5.194 4.550 0.008 0.000 0.328 5 Y C -0.426 175.716 175.900 0.404 0.000 1.270 5 Y CA -0.992 57.222 58.100 0.189 0.000 1.352 5 Y CB 0.187 38.709 38.460 0.103 0.000 1.286 5 Y HN 0.592 nan 8.280 nan 0.000 0.536 6 L N 1.225 122.722 121.223 0.456 0.000 2.738 6 L HA 0.252 4.596 4.340 0.007 0.000 0.178 6 L C 1.119 178.227 176.870 0.397 0.000 1.281 6 L CA 1.342 56.402 54.840 0.367 0.000 0.864 6 L CB -1.066 41.150 42.059 0.262 0.000 1.224 6 L HN 0.989 nan 8.230 nan 0.000 0.520 7 T N -2.376 112.396 114.554 0.363 0.000 2.938 7 T HA 0.680 5.034 4.350 0.007 0.000 0.285 7 T C -0.728 174.177 174.700 0.341 0.000 1.028 7 T CA -0.663 61.632 62.100 0.325 0.000 1.005 7 T CB 2.016 71.030 68.868 0.244 0.000 1.157 7 T HN 0.013 nan 8.240 nan 0.000 0.550 8 V N 0.394 120.456 119.914 0.247 0.000 2.891 8 V HA 0.631 4.756 4.120 0.007 0.000 0.304 8 V C -1.884 174.299 176.094 0.148 0.000 1.171 8 V CA -0.565 61.845 62.300 0.182 0.000 0.943 8 V CB 2.031 33.912 31.823 0.096 0.000 1.037 8 V HN 1.086 nan 8.190 nan 0.000 0.427 9 E N 3.817 124.110 120.200 0.155 0.000 2.367 9 E HA 0.363 4.717 4.350 0.007 0.000 0.273 9 E C -1.444 175.248 176.600 0.153 0.000 0.903 9 E CA -0.640 55.874 56.400 0.190 0.000 0.764 9 E CB 2.569 32.478 29.700 0.349 0.000 1.252 9 E HN 0.767 nan 8.360 nan 0.000 0.446 10 Q N 2.358 122.265 119.800 0.178 0.000 2.303 10 Q HA 0.484 4.828 4.340 0.007 0.000 0.257 10 Q C -1.055 175.062 176.000 0.194 0.000 0.941 10 Q CA -0.311 55.592 55.803 0.167 0.000 0.931 10 Q CB 0.532 29.364 28.738 0.157 0.000 1.215 10 Q HN 0.469 nan 8.270 nan 0.000 0.437 11 I N 4.969 125.644 120.570 0.176 0.000 2.439 11 I HA 0.376 4.551 4.170 0.007 0.000 0.283 11 I C 0.853 177.032 176.117 0.102 0.000 1.023 11 I CA -0.315 61.029 61.300 0.075 0.000 1.100 11 I CB 1.489 39.456 38.000 -0.055 0.000 1.238 11 I HN 1.025 nan 8.210 nan 0.000 0.445 12 G N 5.480 114.313 108.800 0.054 0.000 2.672 12 G HA2 -0.325 3.639 3.960 0.007 0.000 0.332 12 G HA3 -0.325 3.639 3.960 0.007 0.000 0.332 12 G C 0.547 175.484 174.900 0.062 0.000 1.213 12 G CA 0.827 45.956 45.100 0.050 0.000 0.980 12 G HN 0.591 nan 8.290 nan 0.000 0.548 13 D N 0.977 121.405 120.400 0.047 0.000 2.398 13 D HA 0.365 5.009 4.640 0.007 0.000 0.210 13 D C 0.555 176.863 176.300 0.014 0.000 1.094 13 D CA 0.598 54.611 54.000 0.021 0.000 0.839 13 D CB 0.637 41.436 40.800 -0.002 0.000 0.963 13 D HN 0.218 nan 8.370 nan 0.000 0.506 14 S N 0.474 116.196 115.700 0.036 0.000 2.451 14 S HA 0.453 4.927 4.470 0.007 0.000 0.301 14 S C 0.182 174.769 174.600 -0.023 0.000 1.116 14 S CA -0.533 57.636 58.200 -0.052 0.000 1.093 14 S CB 1.619 64.736 63.200 -0.138 0.000 1.017 14 S HN 0.048 nan 8.310 nan 0.000 0.482 15 I N 3.881 124.339 120.570 -0.187 0.000 2.312 15 I HA 0.250 4.425 4.170 0.007 0.000 0.291 15 I C -1.053 174.842 176.117 -0.369 0.000 1.031 15 I CA -0.256 60.888 61.300 -0.261 0.000 1.293 15 I CB 0.444 38.090 38.000 -0.590 0.000 1.403 15 I HN 0.503 nan 8.210 nan 0.000 0.484 16 F N 5.814 125.599 119.950 -0.276 0.000 2.350 16 F HA 0.301 4.833 4.527 0.007 0.000 0.365 16 F C 0.611 176.336 175.800 -0.124 0.000 1.122 16 F CA -0.463 57.329 58.000 -0.347 0.000 1.139 16 F CB 0.599 39.063 39.000 -0.892 0.000 1.220 16 F HN 0.417 nan 8.300 nan 0.000 0.499 17 E N 4.654 124.925 120.200 0.119 0.000 2.158 17 E HA 0.444 4.799 4.350 0.007 0.000 0.271 17 E C -0.666 176.189 176.600 0.425 0.000 0.911 17 E CA -0.843 55.723 56.400 0.277 0.000 0.767 17 E CB 1.032 30.890 29.700 0.263 0.000 1.120 17 E HN 0.568 nan 8.360 nan 0.000 0.405 18 R N 2.872 123.645 120.500 0.457 0.000 2.428 18 R HA 0.389 4.734 4.340 0.007 0.000 0.294 18 R C -0.898 175.701 176.300 0.499 0.000 1.000 18 R CA -0.396 55.956 56.100 0.420 0.000 0.960 18 R CB 0.886 31.355 30.300 0.282 0.000 1.076 18 R HN 0.489 nan 8.270 nan 0.000 0.475 19 Y N -0.695 119.691 120.300 0.144 0.000 2.764 19 Y HA 0.585 5.140 4.550 0.007 0.000 0.331 19 Y C -1.637 174.211 175.900 -0.086 0.000 1.280 19 Y CA -1.655 56.488 58.100 0.072 0.000 1.065 19 Y CB 0.720 39.291 38.460 0.185 0.000 1.319 19 Y HN 0.288 nan 8.280 nan 0.000 0.453 20 I N 2.983 123.335 120.570 -0.363 0.000 2.378 20 I HA 0.300 4.475 4.170 0.007 0.000 0.291 20 I C -0.597 175.331 176.117 -0.314 0.000 0.992 20 I CA -0.464 60.518 61.300 -0.530 0.000 1.154 20 I CB 1.049 38.520 38.000 -0.881 0.000 1.315 20 I HN 0.778 nan 8.210 nan 0.000 0.448 21 D N 3.246 123.467 120.400 -0.298 0.000 2.414 21 D HA 0.165 4.809 4.640 0.007 0.000 0.251 21 D C 1.021 177.312 176.300 -0.014 0.000 1.252 21 D CA -0.421 53.543 54.000 -0.060 0.000 0.999 21 D CB 0.334 41.093 40.800 -0.069 0.000 1.093 21 D HN 0.347 nan 8.370 nan 0.000 0.515 22 S N -0.636 115.089 115.700 0.041 0.000 2.420 22 S HA -0.165 4.309 4.470 0.007 0.000 0.237 22 S C 1.367 175.975 174.600 0.013 0.000 1.023 22 S CA 0.923 59.145 58.200 0.038 0.000 0.991 22 S CB -0.508 62.716 63.200 0.040 0.000 0.792 22 S HN 0.442 nan 8.310 nan 0.000 0.488 23 N N 0.453 119.149 118.700 -0.008 0.000 2.416 23 N HA 0.059 4.804 4.740 0.007 0.000 0.177 23 N C 1.443 176.939 175.510 -0.023 0.000 1.036 23 N CA 0.968 54.009 53.050 -0.015 0.000 0.901 23 N CB -0.050 38.424 38.487 -0.022 0.000 0.976 23 N HN 0.542 nan 8.380 nan 0.000 0.444 24 G N -0.335 108.436 108.800 -0.048 0.000 2.157 24 G HA2 -0.282 3.683 3.960 0.007 0.000 0.239 24 G HA3 -0.282 3.683 3.960 0.007 0.000 0.239 24 G C 0.384 175.231 174.900 -0.088 0.000 0.982 24 G CA 0.388 45.453 45.100 -0.058 0.000 0.650 24 G HN 0.752 nan 8.290 nan 0.000 0.527 25 R N 0.575 121.012 120.500 -0.105 0.000 2.582 25 R HA 0.762 5.106 4.340 0.007 0.000 0.271 25 R C 0.294 176.470 176.300 -0.207 0.000 1.078 25 R CA 0.540 56.566 56.100 -0.124 0.000 1.127 25 R CB 0.362 30.601 30.300 -0.100 0.000 1.038 25 R HN 0.783 nan 8.270 nan 0.000 0.500 26 E N 2.047 122.136 120.200 -0.185 0.000 2.134 26 E HA 0.296 4.651 4.350 0.007 0.000 0.278 26 E C -0.723 175.729 176.600 -0.247 0.000 0.959 26 E CA -0.667 55.595 56.400 -0.230 0.000 0.783 26 E CB 0.585 30.206 29.700 -0.132 0.000 1.095 26 E HN 0.517 nan 8.360 nan 0.000 0.399 27 R N 2.411 122.648 120.500 -0.438 0.000 2.902 27 R HA 0.543 4.887 4.340 0.007 0.000 0.258 27 R C -0.485 175.784 176.300 -0.051 0.000 1.071 27 R CA -0.751 55.167 56.100 -0.302 0.000 1.024 27 R CB 1.691 31.758 30.300 -0.389 0.000 1.184 27 R HN 0.520 nan 8.270 nan 0.000 0.492 28 T N 0.850 115.501 114.554 0.162 0.000 2.942 28 T HA 0.639 4.994 4.350 0.007 0.000 0.289 28 T C -0.191 174.711 174.700 0.337 0.000 1.044 28 T CA -0.862 61.431 62.100 0.321 0.000 1.023 28 T CB 2.019 71.060 68.868 0.288 0.000 1.123 28 T HN 0.223 nan 8.240 nan 0.000 0.512 29 R N 0.650 121.310 120.500 0.267 0.000 2.725 29 R HA 0.471 4.816 4.340 0.007 0.000 0.277 29 R C -1.060 175.178 176.300 -0.102 0.000 0.987 29 R CA -0.770 55.390 56.100 0.100 0.000 0.901 29 R CB 2.439 32.782 30.300 0.071 0.000 1.207 29 R HN 0.664 nan 8.270 nan 0.000 0.463 30 E N 2.624 122.687 120.200 -0.229 0.000 2.114 30 E HA 0.314 4.669 4.350 0.007 0.000 0.266 30 E C -1.299 175.098 176.600 -0.337 0.000 0.896 30 E CA -0.593 55.470 56.400 -0.562 0.000 0.750 30 E CB 1.494 30.804 29.700 -0.651 0.000 1.121 30 E HN 0.218 nan 8.360 nan 0.000 0.413 31 V N 3.914 123.631 119.914 -0.330 0.000 2.459 31 V HA 0.195 4.320 4.120 0.007 0.000 0.295 31 V C -0.078 175.944 176.094 -0.121 0.000 1.029 31 V CA -0.859 61.354 62.300 -0.146 0.000 0.874 31 V CB 1.578 33.389 31.823 -0.019 0.000 0.985 31 V HN 0.685 nan 8.190 nan 0.000 0.438 32 E N 3.802 123.974 120.200 -0.047 0.000 2.028 32 E HA 0.139 4.493 4.350 0.007 0.000 0.275 32 E C -0.799 175.822 176.600 0.036 0.000 1.171 32 E CA -0.475 55.909 56.400 -0.027 0.000 1.186 32 E CB -0.229 29.447 29.700 -0.039 0.000 1.256 32 E HN 0.509 nan 8.360 nan 0.000 0.474 33 Y N 2.443 122.697 120.300 -0.077 0.000 2.526 33 Y HA 0.162 4.717 4.550 0.008 0.000 0.330 33 Y C -0.215 175.645 175.900 -0.067 0.000 1.156 33 Y CA 0.043 58.123 58.100 -0.034 0.000 1.419 33 Y CB 0.648 39.107 38.460 -0.002 0.000 1.250 33 Y HN 0.184 nan 8.280 nan 0.000 0.540 34 K N 8.972 129.034 120.400 -0.564 0.000 2.357 34 K HA 0.299 4.623 4.320 0.007 0.000 0.251 34 K C -2.583 173.509 176.600 -0.846 0.000 1.069 34 K CA -1.819 54.149 56.287 -0.532 0.000 0.994 34 K CB 0.636 32.962 32.500 -0.290 0.000 1.411 34 K HN 0.450 nan 8.250 nan 0.000 0.450 35 P HA 0.202 nan 4.420 nan 0.000 0.278 35 P C -0.735 176.433 177.300 -0.220 0.000 1.258 35 P CA -0.646 62.092 63.100 -0.603 0.000 0.811 35 P CB 1.340 32.691 31.700 -0.582 0.000 1.063 36 S N 0.444 116.089 115.700 -0.092 0.000 2.482 36 S HA 0.606 5.080 4.470 0.007 0.000 0.303 36 S C -0.053 174.514 174.600 -0.055 0.000 1.091 36 S CA -0.481 57.619 58.200 -0.167 0.000 1.057 36 S CB 0.603 63.605 63.200 -0.331 0.000 1.031 36 S HN 0.296 nan 8.310 nan 0.000 0.485 37 L N 1.611 122.750 121.223 -0.140 0.000 2.211 37 L HA 0.773 5.118 4.340 0.007 0.000 0.259 37 L C -1.477 175.106 176.870 -0.479 0.000 1.031 37 L CA -0.815 54.049 54.840 0.040 0.000 0.877 37 L CB 1.118 43.372 42.059 0.326 0.000 1.457 37 L HN 0.540 nan 8.230 nan 0.000 0.466 38 F N -0.261 119.711 119.950 0.036 0.000 2.599 38 F HA 0.793 5.325 4.527 0.008 0.000 0.311 38 F C -0.147 175.752 175.800 0.166 0.000 1.076 38 F CA -0.844 57.145 58.000 -0.017 0.000 0.937 38 F CB 1.889 40.845 39.000 -0.073 0.000 1.282 38 F HN 0.321 nan 8.300 nan 0.000 0.460 39 A N 0.366 123.338 122.820 0.254 0.000 2.515 39 A HA 0.710 5.035 4.320 0.007 0.000 0.298 39 A C -1.270 176.375 177.584 0.103 0.000 1.059 39 A CA -0.716 51.454 52.037 0.222 0.000 0.698 39 A CB 0.595 19.809 19.000 0.357 0.000 1.289 39 A HN 0.898 nan 8.150 nan 0.000 0.404 40 H N -0.729 118.437 119.070 0.161 0.000 2.801 40 H HA 0.393 4.954 4.556 0.007 0.000 0.377 40 H C 0.645 176.026 175.328 0.088 0.000 1.304 40 H CA 1.443 57.559 56.048 0.114 0.000 1.451 40 H CB 0.493 30.313 29.762 0.095 0.000 1.474 40 H HN 1.053 nan 8.280 nan 0.000 0.620 41 C N -0.378 119.053 119.300 0.219 0.000 3.321 41 C HA 0.521 4.986 4.460 0.007 0.000 0.329 41 C C -2.730 172.320 174.990 0.100 0.000 1.394 41 C CA -1.913 57.180 59.018 0.124 0.000 1.291 41 C CB 0.729 28.517 27.740 0.081 0.000 1.606 41 C HN 0.552 nan 8.230 nan 0.000 0.463 42 P HA 0.466 nan 4.420 nan 0.000 0.274 42 P C 0.918 178.260 177.300 0.069 0.000 1.237 42 P CA 0.739 63.876 63.100 0.061 0.000 0.793 42 P CB 0.376 32.103 31.700 0.046 0.000 0.977 43 E N 0.691 120.934 120.200 0.071 0.000 2.049 43 E HA -0.185 4.170 4.350 0.007 0.000 0.198 43 E C 1.154 177.805 176.600 0.085 0.000 1.007 43 E CA 2.051 58.505 56.400 0.090 0.000 0.809 43 E CB -1.675 28.073 29.700 0.079 0.000 0.749 43 E HN 0.608 nan 8.360 nan 0.000 0.450 44 S N 0.424 116.162 115.700 0.063 0.000 4.051 44 S HA 0.381 4.855 4.470 0.007 0.000 0.215 44 S C 0.041 174.669 174.600 0.047 0.000 1.289 44 S CA 0.335 58.567 58.200 0.053 0.000 0.907 44 S CB 0.028 63.252 63.200 0.041 0.000 1.603 44 S HN 0.410 nan 8.310 nan 0.000 0.453 45 Q N 1.580 121.411 119.800 0.052 0.000 3.550 45 Q HA 0.511 4.855 4.340 0.007 0.000 0.206 45 Q C -0.415 175.605 176.000 0.034 0.000 0.891 45 Q CA -0.071 55.753 55.803 0.036 0.000 0.737 45 Q CB 0.919 29.676 28.738 0.033 0.000 1.417 45 Q HN 0.711 nan 8.270 nan 0.000 0.460 46 A N 1.848 124.692 122.820 0.040 0.000 2.598 46 A HA 0.367 4.692 4.320 0.007 0.000 0.239 46 A C 0.202 177.800 177.584 0.023 0.000 1.032 46 A CA 1.303 53.369 52.037 0.048 0.000 0.760 46 A CB 0.240 19.266 19.000 0.043 0.000 0.946 46 A HN 0.566 nan 8.150 nan 0.000 0.512 47 T N 0.832 115.393 114.554 0.012 0.000 2.830 47 T HA 0.411 4.765 4.350 0.007 0.000 0.322 47 T C 0.554 175.214 174.700 -0.067 0.000 1.501 47 T CA -0.498 61.571 62.100 -0.053 0.000 1.036 47 T CB 1.397 70.181 68.868 -0.140 0.000 1.379 47 T HN 0.659 nan 8.240 nan 0.000 0.493 48 K N 0.825 121.143 120.400 -0.136 0.000 2.323 48 K HA 0.221 4.546 4.320 0.007 0.000 0.197 48 K C -0.564 175.902 176.600 -0.225 0.000 1.043 48 K CA 0.330 56.502 56.287 -0.193 0.000 0.997 48 K CB 0.254 32.502 32.500 -0.419 0.000 0.807 48 K HN 0.532 nan 8.250 nan 0.000 0.497 49 Y N -0.051 120.187 120.300 -0.103 0.000 2.326 49 Y HA 0.338 4.893 4.550 0.007 0.000 0.337 49 Y C -0.380 175.278 175.900 -0.403 0.000 1.023 49 Y CA -0.927 57.137 58.100 -0.060 0.000 1.143 49 Y CB 0.655 39.182 38.460 0.110 0.000 1.183 49 Y HN -0.207 nan 8.280 nan 0.000 0.485 50 F N 1.490 121.552 119.950 0.187 0.000 2.576 50 F HA 0.297 4.829 4.527 0.007 0.000 0.313 50 F C -0.021 175.843 175.800 0.107 0.000 1.078 50 F CA -1.530 56.557 58.000 0.145 0.000 0.921 50 F CB 1.309 40.371 39.000 0.104 0.000 1.232 50 F HN 0.497 nan 8.300 nan 0.000 0.459 51 D N 1.353 121.935 120.400 0.304 0.000 2.384 51 D HA 0.041 4.685 4.640 0.007 0.000 0.244 51 D C 1.213 177.617 176.300 0.174 0.000 1.251 51 D CA -0.260 53.877 54.000 0.229 0.000 0.961 51 D CB 0.517 41.516 40.800 0.331 0.000 1.116 51 D HN 0.633 nan 8.370 nan 0.000 0.484 52 I N -2.636 117.952 120.570 0.029 0.000 2.756 52 I HA -0.126 4.048 4.170 0.007 0.000 0.262 52 I C 0.917 176.868 176.117 -0.277 0.000 1.225 52 I CA 0.619 61.817 61.300 -0.170 0.000 1.472 52 I CB -0.574 37.265 38.000 -0.268 0.000 1.094 52 I HN 0.217 nan 8.210 nan 0.000 0.454 53 Y N 1.992 122.369 120.300 0.129 0.000 2.523 53 Y HA 0.408 4.963 4.550 0.008 0.000 0.279 53 Y C 1.992 177.947 175.900 0.092 0.000 1.139 53 Y CA 0.420 58.583 58.100 0.104 0.000 1.296 53 Y CB 0.310 38.832 38.460 0.104 0.000 1.045 53 Y HN 0.362 nan 8.280 nan 0.000 0.538 54 G N -0.183 108.757 108.800 0.234 0.000 2.183 54 G HA2 -0.182 3.783 3.960 0.007 0.000 0.168 54 G HA3 -0.182 3.783 3.960 0.007 0.000 0.168 54 G C -0.013 175.073 174.900 0.310 0.000 1.008 54 G CA -0.741 44.466 45.100 0.178 0.000 0.677 54 G HN 0.170 nan 8.290 nan 0.000 0.498 55 K N 1.932 122.560 120.400 0.380 0.000 2.183 55 K HA 0.428 4.752 4.320 0.007 0.000 0.274 55 K C -2.393 174.463 176.600 0.426 0.000 1.009 55 K CA -1.814 54.702 56.287 0.381 0.000 0.888 55 K CB 2.025 34.695 32.500 0.283 0.000 1.078 55 K HN 0.061 nan 8.250 nan 0.000 0.459 56 P HA -0.003 nan 4.420 nan 0.000 0.265 56 P C -0.587 176.753 177.300 0.068 0.000 1.193 56 P CA -0.206 62.904 63.100 0.016 0.000 0.765 56 P CB 0.458 32.193 31.700 0.058 0.000 0.823 57 C N 1.778 121.046 119.300 -0.054 0.000 2.698 57 C HA 0.551 5.015 4.460 0.007 0.000 0.309 57 C C 0.521 175.553 174.990 0.071 0.000 1.186 57 C CA -0.298 58.759 59.018 0.066 0.000 1.474 57 C CB 1.815 29.625 27.740 0.117 0.000 2.020 57 C HN 0.654 nan 8.230 nan 0.000 0.474 58 T N 0.630 115.211 114.554 0.044 0.000 2.837 58 T HA 0.468 4.822 4.350 0.007 0.000 0.285 58 T C -0.219 174.348 174.700 -0.222 0.000 0.984 58 T CA -0.424 61.652 62.100 -0.041 0.000 1.049 58 T CB 0.617 69.448 68.868 -0.063 0.000 0.947 58 T HN 0.808 nan 8.240 nan 0.000 0.472 59 R N 2.735 122.967 120.500 -0.447 0.000 2.438 59 R HA 0.300 4.645 4.340 0.007 0.000 0.287 59 R C -0.401 175.459 176.300 -0.732 0.000 1.077 59 R CA -0.401 55.111 56.100 -0.981 0.000 1.034 59 R CB 0.385 30.017 30.300 -1.113 0.000 0.993 59 R HN 0.627 nan 8.270 nan 0.000 0.459 60 K N 5.782 125.654 120.400 -0.880 0.000 2.449 60 K HA 0.222 4.547 4.320 0.007 0.000 0.257 60 K C -0.630 175.378 176.600 -0.987 0.000 0.989 60 K CA -0.684 55.055 56.287 -0.914 0.000 0.916 60 K CB 1.445 33.263 32.500 -1.136 0.000 1.136 60 K HN 0.482 nan 8.250 nan 0.000 0.439 61 L N 3.704 124.453 121.223 -0.790 0.000 2.417 61 L HA 0.420 4.764 4.340 0.007 0.000 0.268 61 L C -0.941 175.444 176.870 -0.809 0.000 1.158 61 L CA 0.197 54.672 54.840 -0.608 0.000 0.819 61 L CB 0.224 42.044 42.059 -0.399 0.000 1.112 61 L HN 0.454 nan 8.230 nan 0.000 0.458 62 F N 1.600 121.336 119.950 -0.357 0.000 2.551 62 F HA 0.422 4.953 4.527 0.007 0.000 0.316 62 F C 1.008 176.647 175.800 -0.268 0.000 1.089 62 F CA -0.441 57.370 58.000 -0.314 0.000 0.915 62 F CB 1.797 40.593 39.000 -0.340 0.000 1.186 62 F HN 0.607 nan 8.300 nan 0.000 0.456 63 A N 2.408 125.223 122.820 -0.008 0.000 1.940 63 A HA -0.057 4.267 4.320 0.007 0.000 0.219 63 A C 0.257 177.799 177.584 -0.069 0.000 1.176 63 A CA 2.153 54.158 52.037 -0.053 0.000 0.631 63 A CB -0.878 18.100 19.000 -0.035 0.000 0.814 63 A HN 0.898 nan 8.150 nan 0.000 0.446 64 N N -4.935 113.724 118.700 -0.068 0.000 3.046 64 N HA 0.392 5.136 4.740 0.007 0.000 0.243 64 N C -0.092 175.297 175.510 -0.202 0.000 1.452 64 N CA -0.414 52.566 53.050 -0.117 0.000 0.882 64 N CB 0.269 38.716 38.487 -0.067 0.000 1.425 64 N HN -0.063 nan 8.380 nan 0.000 0.517 65 M N -0.399 119.058 119.600 -0.238 0.000 2.229 65 M HA 0.016 4.500 4.480 0.007 0.000 0.264 65 M C 2.118 178.310 176.300 -0.179 0.000 1.063 65 M CA 1.186 56.252 55.300 -0.390 0.000 1.114 65 M CB -0.231 32.238 32.600 -0.219 0.000 1.387 65 M HN 0.662 nan 8.290 nan 0.000 0.420 66 R N 0.980 121.439 120.500 -0.069 0.000 2.096 66 R HA -0.200 4.144 4.340 0.007 0.000 0.240 66 R C 1.367 177.636 176.300 -0.052 0.000 1.139 66 R CA 2.192 58.281 56.100 -0.020 0.000 0.952 66 R CB -0.265 30.032 30.300 -0.004 0.000 0.854 66 R HN 0.278 nan 8.270 nan 0.000 0.436 67 D N 0.079 120.431 120.400 -0.080 0.000 2.178 67 D HA -0.116 4.528 4.640 0.007 0.000 0.201 67 D C 1.629 177.764 176.300 -0.274 0.000 0.980 67 D CA 1.441 55.411 54.000 -0.050 0.000 0.842 67 D CB -0.167 40.671 40.800 0.063 0.000 0.948 67 D HN 0.432 nan 8.370 nan 0.000 0.472 68 A N 0.083 122.511 122.820 -0.653 0.000 1.968 68 A HA -0.062 4.262 4.320 0.007 0.000 0.217 68 A C 2.380 179.795 177.584 -0.281 0.000 1.169 68 A CA 1.230 52.558 52.037 -1.181 0.000 0.638 68 A CB -0.213 18.040 19.000 -1.245 0.000 0.812 68 A HN 0.117 nan 8.150 nan 0.000 0.446 69 S N -0.402 115.277 115.700 -0.035 0.000 2.377 69 S HA -0.115 4.359 4.470 0.007 0.000 0.223 69 S C 2.083 176.712 174.600 0.048 0.000 1.030 69 S CA 0.922 59.174 58.200 0.087 0.000 0.970 69 S CB -0.245 63.021 63.200 0.110 0.000 0.830 69 S HN 0.545 nan 8.310 nan 0.000 0.473 70 Q N -0.248 119.573 119.800 0.035 0.000 2.152 70 Q HA -0.155 4.189 4.340 0.007 0.000 0.206 70 Q C 1.743 177.812 176.000 0.114 0.000 0.985 70 Q CA 1.274 57.114 55.803 0.062 0.000 0.863 70 Q CB -0.331 28.449 28.738 0.071 0.000 0.904 70 Q HN 0.756 nan 8.270 nan 0.000 0.422 71 W N 0.727 121.990 121.300 -0.061 0.000 2.453 71 W HA -0.006 4.658 4.660 0.007 0.000 0.289 71 W C 1.799 178.322 176.519 0.006 0.000 1.215 71 W CA 0.651 58.002 57.345 0.010 0.000 1.297 71 W CB -0.224 29.287 29.460 0.085 0.000 1.113 71 W HN 0.005 nan 8.180 nan 0.000 0.551 72 I N 1.334 121.919 120.570 0.025 0.000 2.226 72 I HA -0.336 3.839 4.170 0.007 0.000 0.245 72 I C 2.500 178.507 176.117 -0.184 0.000 1.100 72 I CA 2.053 63.276 61.300 -0.128 0.000 1.374 72 I CB -0.686 37.323 38.000 0.015 0.000 1.057 72 I HN 0.010 nan 8.210 nan 0.000 0.413 73 K N 1.331 121.668 120.400 -0.104 0.000 2.097 73 K HA -0.125 4.200 4.320 0.007 0.000 0.205 73 K C 2.227 178.750 176.600 -0.129 0.000 1.050 73 K CA 1.127 57.358 56.287 -0.094 0.000 0.938 73 K CB -0.213 32.259 32.500 -0.047 0.000 0.718 73 K HN 0.172 nan 8.250 nan 0.000 0.442 74 R N -0.068 120.341 120.500 -0.151 0.000 2.075 74 R HA 0.031 4.376 4.340 0.007 0.000 0.232 74 R C 2.363 178.516 176.300 -0.244 0.000 1.126 74 R CA 1.457 57.464 56.100 -0.156 0.000 0.963 74 R CB -0.245 29.993 30.300 -0.102 0.000 0.858 74 R HN 0.287 nan 8.270 nan 0.000 0.435 75 M N 0.694 120.029 119.600 -0.443 0.000 2.267 75 M HA -0.134 4.350 4.480 0.007 0.000 0.263 75 M C 1.435 177.583 176.300 -0.254 0.000 1.063 75 M CA 1.518 56.544 55.300 -0.456 0.000 1.090 75 M CB -0.460 31.679 32.600 -0.768 0.000 1.392 75 M HN -0.001 nan 8.290 nan 0.000 0.422 76 E N 0.005 120.083 120.200 -0.204 0.000 2.190 76 E HA -0.052 4.302 4.350 0.007 0.000 0.191 76 E C 1.595 178.136 176.600 -0.098 0.000 0.978 76 E CA 0.632 56.954 56.400 -0.131 0.000 0.839 76 E CB -0.341 29.294 29.700 -0.109 0.000 0.787 76 E HN 0.395 nan 8.360 nan 0.000 0.473 77 D N 0.547 120.890 120.400 -0.096 0.000 2.144 77 D HA -0.093 4.551 4.640 0.007 0.000 0.199 77 D C 1.976 178.238 176.300 -0.062 0.000 0.984 77 D CA 0.758 54.717 54.000 -0.068 0.000 0.834 77 D CB -0.012 40.752 40.800 -0.059 0.000 0.955 77 D HN 0.227 nan 8.370 nan 0.000 0.465 78 I N -0.427 120.096 120.570 -0.078 0.000 2.333 78 I HA 0.014 4.189 4.170 0.007 0.000 0.246 78 I C 1.432 177.514 176.117 -0.059 0.000 1.106 78 I CA 0.880 62.143 61.300 -0.062 0.000 1.411 78 I CB -0.019 37.939 38.000 -0.069 0.000 1.082 78 I HN 0.088 nan 8.210 nan 0.000 0.420 79 G N 1.714 110.468 108.800 -0.077 0.000 2.207 79 G HA2 -0.177 3.787 3.960 0.007 0.000 0.216 79 G HA3 -0.177 3.787 3.960 0.007 0.000 0.216 79 G C -0.223 174.645 174.900 -0.053 0.000 1.053 79 G CA -0.464 44.598 45.100 -0.064 0.000 0.764 79 G HN 0.180 nan 8.290 nan 0.000 0.495 80 L N -0.285 120.896 121.223 -0.070 0.000 2.330 80 L HA 0.570 4.914 4.340 0.007 0.000 0.271 80 L C 0.789 177.629 176.870 -0.050 0.000 1.013 80 L CA -1.028 53.791 54.840 -0.034 0.000 0.816 80 L CB 1.793 43.845 42.059 -0.010 0.000 1.287 80 L HN 0.300 nan 8.230 nan 0.000 0.435 81 E N 1.392 121.606 120.200 0.023 0.000 2.366 81 E HA 0.203 4.557 4.350 0.007 0.000 0.266 81 E C -0.567 176.022 176.600 -0.017 0.000 1.015 81 E CA -0.360 56.050 56.400 0.017 0.000 0.906 81 E CB 1.022 30.780 29.700 0.097 0.000 0.979 81 E HN 0.592 nan 8.360 nan 0.000 0.443 82 A N 6.208 128.996 122.820 -0.054 0.000 2.774 82 A HA 0.279 4.603 4.320 0.007 0.000 0.326 82 A C -0.614 177.055 177.584 0.141 0.000 1.478 82 A CA -0.589 51.453 52.037 0.008 0.000 1.099 82 A CB -0.152 18.750 19.000 -0.163 0.000 1.148 82 A HN 0.513 nan 8.150 nan 0.000 0.519 83 L N 1.507 122.834 121.223 0.173 0.000 2.453 83 L HA 0.707 5.052 4.340 0.007 0.000 0.261 83 L C 1.156 178.162 176.870 0.227 0.000 1.179 83 L CA 1.604 56.517 54.840 0.121 0.000 0.813 83 L CB 0.355 42.425 42.059 0.020 0.000 1.110 83 L HN 1.044 nan 8.230 nan 0.000 0.466 84 G N 1.287 110.141 108.800 0.091 0.000 2.373 84 G HA2 -0.009 3.956 3.960 0.007 0.000 0.634 84 G HA3 -0.009 3.956 3.960 0.007 0.000 0.634 84 G C -1.099 173.810 174.900 0.014 0.000 1.267 84 G CA -0.901 44.270 45.100 0.119 0.000 1.008 84 G HN 0.399 nan 8.290 nan 0.000 0.497 85 M N 2.433 122.015 119.600 -0.031 0.000 2.206 85 M HA 0.268 4.752 4.480 0.007 0.000 0.353 85 M C 1.395 177.633 176.300 -0.103 0.000 1.242 85 M CA -0.595 54.567 55.300 -0.230 0.000 1.179 85 M CB -0.064 32.165 32.600 -0.619 0.000 1.374 85 M HN 0.664 nan 8.290 nan 0.000 0.427 86 D N 1.622 121.927 120.400 -0.159 0.000 2.149 86 D HA -0.155 4.490 4.640 0.007 0.000 0.198 86 D C 0.429 176.287 176.300 -0.737 0.000 0.990 86 D CA 0.996 54.804 54.000 -0.320 0.000 0.839 86 D CB -0.223 40.452 40.800 -0.208 0.000 0.948 86 D HN 0.429 nan 8.370 nan 0.000 0.460 87 D N -0.440 119.688 120.400 -0.453 0.000 2.344 87 D HA -0.024 4.621 4.640 0.007 0.000 0.253 87 D C 0.011 176.165 176.300 -0.243 0.000 1.255 87 D CA -0.378 53.384 54.000 -0.396 0.000 0.894 87 D CB 0.218 40.906 40.800 -0.186 0.000 1.067 87 D HN -0.039 nan 8.370 nan 0.000 0.492 88 F N 3.001 122.977 119.950 0.043 0.000 2.456 88 F HA 0.049 4.580 4.527 0.007 0.000 0.298 88 F C 2.216 178.055 175.800 0.066 0.000 1.104 88 F CA 0.258 58.329 58.000 0.118 0.000 1.435 88 F CB -0.294 38.817 39.000 0.185 0.000 1.078 88 F HN 0.307 nan 8.300 nan 0.000 0.546 89 K N 0.613 121.098 120.400 0.142 0.000 2.057 89 K HA -0.107 4.218 4.320 0.007 0.000 0.207 89 K C 1.991 178.651 176.600 0.100 0.000 1.049 89 K CA 1.331 57.659 56.287 0.068 0.000 0.931 89 K CB -0.539 31.979 32.500 0.031 0.000 0.714 89 K HN 0.304 nan 8.250 nan 0.000 0.440 90 L N 0.459 121.739 121.223 0.096 0.000 2.141 90 L HA -0.098 4.246 4.340 0.007 0.000 0.209 90 L C 2.613 179.652 176.870 0.281 0.000 1.094 90 L CA 0.842 55.773 54.840 0.151 0.000 0.763 90 L CB -0.729 41.419 42.059 0.147 0.000 0.908 90 L HN 0.184 nan 8.230 nan 0.000 0.437 91 A N -0.147 122.830 122.820 0.261 0.000 1.897 91 A HA -0.262 4.062 4.320 0.007 0.000 0.215 91 A C 2.228 179.974 177.584 0.271 0.000 1.181 91 A CA 1.250 53.524 52.037 0.394 0.000 0.620 91 A CB -0.833 18.420 19.000 0.422 0.000 0.821 91 A HN 0.456 nan 8.150 nan 0.000 0.443 92 Y N 0.737 120.944 120.300 -0.155 0.000 2.165 92 Y HA -0.184 4.371 4.550 0.007 0.000 0.286 92 Y C 1.878 177.668 175.900 -0.182 0.000 1.155 92 Y CA 1.911 59.710 58.100 -0.500 0.000 1.164 92 Y CB -0.251 37.722 38.460 -0.813 0.000 0.978 92 Y HN 0.210 nan 8.280 nan 0.000 0.513 93 L N -0.819 120.390 121.223 -0.024 0.000 2.056 93 L HA -0.196 4.149 4.340 0.007 0.000 0.207 93 L C 2.818 179.690 176.870 0.004 0.000 1.078 93 L CA 1.555 56.381 54.840 -0.023 0.000 0.749 93 L CB -0.899 41.102 42.059 -0.095 0.000 0.901 93 L HN 0.268 nan 8.230 nan 0.000 0.433 94 S N -0.293 115.437 115.700 0.050 0.000 2.382 94 S HA -0.192 4.283 4.470 0.007 0.000 0.228 94 S C 1.577 176.157 174.600 -0.034 0.000 1.027 94 S CA 1.601 59.814 58.200 0.021 0.000 0.991 94 S CB -0.161 63.085 63.200 0.078 0.000 0.823 94 S HN 0.384 nan 8.310 nan 0.000 0.469 95 D N 0.791 121.168 120.400 -0.039 0.000 2.091 95 D HA -0.011 4.633 4.640 0.007 0.000 0.199 95 D C 2.084 178.232 176.300 -0.253 0.000 0.980 95 D CA 1.678 55.633 54.000 -0.076 0.000 0.831 95 D CB -0.974 39.846 40.800 0.033 0.000 0.987 95 D HN 0.436 nan 8.370 nan 0.000 0.460 96 T N -0.546 113.700 114.554 -0.513 0.000 2.962 96 T HA -0.130 4.224 4.350 0.007 0.000 0.270 96 T C 0.399 174.529 174.700 -0.950 0.000 1.088 96 T CA 0.804 62.414 62.100 -0.816 0.000 1.127 96 T CB -0.141 67.984 68.868 -1.240 0.000 0.883 96 T HN 0.178 nan 8.240 nan 0.000 0.493 97 Y N 0.941 121.068 120.300 -0.289 0.000 2.480 97 Y HA 0.379 4.934 4.550 0.008 0.000 0.356 97 Y C 0.771 176.331 175.900 -0.566 0.000 0.922 97 Y CA -1.390 56.418 58.100 -0.487 0.000 1.146 97 Y CB -0.652 37.600 38.460 -0.348 0.000 1.185 97 Y HN 0.097 nan 8.280 nan 0.000 0.624 98 N N 1.621 120.168 118.700 -0.254 0.000 2.626 98 N HA -0.020 4.725 4.740 0.007 0.000 0.226 98 N C -1.121 174.423 175.510 0.057 0.000 1.376 98 N CA 0.157 53.166 53.050 -0.070 0.000 0.894 98 N CB -0.052 38.450 38.487 0.025 0.000 1.218 98 N HN 0.479 nan 8.380 nan 0.000 0.492 99 Y N -2.991 117.350 120.300 0.067 0.000 2.705 99 Y HA 0.330 4.884 4.550 0.007 0.000 0.332 99 Y C -0.664 175.267 175.900 0.050 0.000 1.221 99 Y CA -1.493 56.638 58.100 0.052 0.000 1.059 99 Y CB 0.440 38.938 38.460 0.064 0.000 1.298 99 Y HN -0.214 nan 8.280 nan 0.000 0.459 100 E N 1.940 122.285 120.200 0.243 0.000 2.265 100 E HA 0.229 4.584 4.350 0.007 0.000 0.272 100 E C -0.776 175.975 176.600 0.250 0.000 1.067 100 E CA -0.204 56.283 56.400 0.146 0.000 0.900 100 E CB 0.348 30.111 29.700 0.105 0.000 1.017 100 E HN 0.594 nan 8.360 nan 0.000 0.431 101 I N 5.027 125.685 120.570 0.147 0.000 2.587 101 I HA -0.029 4.146 4.170 0.007 0.000 0.284 101 I C 0.246 176.439 176.117 0.128 0.000 1.134 101 I CA 0.427 61.809 61.300 0.136 0.000 1.410 101 I CB 0.326 38.287 38.000 -0.065 0.000 1.392 101 I HN 0.285 nan 8.210 nan 0.000 0.545 102 K N 6.763 127.244 120.400 0.136 0.000 2.235 102 K HA 0.430 4.755 4.320 0.007 0.000 0.266 102 K C -1.041 175.540 176.600 -0.030 0.000 0.980 102 K CA -0.425 55.903 56.287 0.069 0.000 0.849 102 K CB 1.218 33.749 32.500 0.052 0.000 1.098 102 K HN 0.394 nan 8.250 nan 0.000 0.445 103 Y N -0.807 119.274 120.300 -0.365 0.000 2.462 103 Y HA 0.513 5.067 4.550 0.008 0.000 0.346 103 Y C -0.786 174.848 175.900 -0.443 0.000 0.976 103 Y CA -1.707 55.895 58.100 -0.829 0.000 1.044 103 Y CB 1.397 38.968 38.460 -1.482 0.000 1.230 103 Y HN 0.406 nan 8.280 nan 0.000 0.455 104 D N 2.635 122.836 120.400 -0.332 0.000 2.441 104 D HA 0.063 4.707 4.640 0.007 0.000 0.221 104 D C 0.945 177.236 176.300 -0.015 0.000 1.156 104 D CA -0.090 53.849 54.000 -0.102 0.000 0.896 104 D CB 0.036 40.904 40.800 0.113 0.000 1.028 104 D HN 0.937 nan 8.370 nan 0.000 0.509 105 H N 0.889 119.908 119.070 -0.085 0.000 2.457 105 H HA -0.159 4.401 4.556 0.007 0.000 0.297 105 H C 1.578 176.984 175.328 0.131 0.000 1.092 105 H CA 1.979 58.086 56.048 0.098 0.000 1.309 105 H CB -0.320 29.480 29.762 0.063 0.000 1.382 105 H HN 0.305 nan 8.280 nan 0.000 0.535 106 T N -2.136 112.133 114.554 -0.474 0.000 3.035 106 T HA -0.020 4.335 4.350 0.007 0.000 0.268 106 T C 1.544 176.229 174.700 -0.025 0.000 1.109 106 T CA 0.555 62.499 62.100 -0.259 0.000 1.119 106 T CB -0.072 68.618 68.868 -0.297 0.000 0.900 106 T HN 0.240 nan 8.240 nan 0.000 0.503 107 K N 0.763 121.201 120.400 0.064 0.000 2.426 107 K HA 0.328 4.653 4.320 0.007 0.000 0.193 107 K C 0.553 177.255 176.600 0.169 0.000 1.028 107 K CA 0.055 56.416 56.287 0.124 0.000 1.047 107 K CB 0.133 32.745 32.500 0.187 0.000 0.821 107 K HN 0.540 nan 8.250 nan 0.000 0.513 108 I N 2.115 122.817 120.570 0.219 0.000 2.304 108 I HA 0.186 4.361 4.170 0.007 0.000 0.291 108 I C 0.532 176.740 176.117 0.152 0.000 1.018 108 I CA -0.600 60.841 61.300 0.234 0.000 1.260 108 I CB 0.805 38.996 38.000 0.318 0.000 1.390 108 I HN -0.175 nan 8.210 nan 0.000 0.475 109 R N 6.457 127.013 120.500 0.093 0.000 2.441 109 R HA 0.272 4.617 4.340 0.007 0.000 0.300 109 R C -1.047 175.287 176.300 0.056 0.000 1.284 109 R CA -0.284 55.840 56.100 0.039 0.000 1.069 109 R CB 0.187 30.464 30.300 -0.039 0.000 1.087 109 R HN 0.486 nan 8.270 nan 0.000 0.519 110 V N 4.569 124.544 119.914 0.103 0.000 2.389 110 V HA 0.341 4.466 4.120 0.007 0.000 0.264 110 V C 0.518 176.685 176.094 0.122 0.000 1.049 110 V CA -0.464 61.916 62.300 0.132 0.000 0.932 110 V CB 0.847 32.783 31.823 0.189 0.000 1.011 110 V HN 0.801 nan 8.190 nan 0.000 0.475 111 A N 4.541 127.408 122.820 0.078 0.000 2.306 111 A HA 0.825 5.149 4.320 0.007 0.000 0.330 111 A C -0.123 177.530 177.584 0.116 0.000 1.146 111 A CA -0.634 51.424 52.037 0.036 0.000 0.827 111 A CB 0.955 19.898 19.000 -0.095 0.000 1.178 111 A HN 0.762 nan 8.150 nan 0.000 0.490 112 N N 0.252 119.028 118.700 0.127 0.000 2.594 112 N HA 0.521 5.266 4.740 0.007 0.000 0.280 112 N C -1.253 174.449 175.510 0.321 0.000 1.156 112 N CA -0.379 52.832 53.050 0.267 0.000 0.831 112 N CB 0.691 39.344 38.487 0.276 0.000 1.379 112 N HN 0.573 nan 8.380 nan 0.000 0.536 113 F N 0.498 120.500 119.950 0.088 0.000 2.654 113 F HA 0.896 5.428 4.527 0.007 0.000 0.334 113 F C -0.977 174.948 175.800 0.209 0.000 1.078 113 F CA -1.131 56.960 58.000 0.151 0.000 0.986 113 F CB 1.523 40.614 39.000 0.152 0.000 1.362 113 F HN 0.177 nan 8.300 nan 0.000 0.498 114 D N 0.470 120.888 120.400 0.031 0.000 2.717 114 D HA 0.563 5.208 4.640 0.007 0.000 0.223 114 D C -1.396 174.941 176.300 0.061 0.000 1.240 114 D CA -0.351 53.594 54.000 -0.092 0.000 0.801 114 D CB 2.421 43.242 40.800 0.036 0.000 1.556 114 D HN 0.863 nan 8.370 nan 0.000 0.462 115 I N -1.285 119.312 120.570 0.046 0.000 2.846 115 I HA 0.761 4.936 4.170 0.007 0.000 0.307 115 I C -0.816 175.351 176.117 0.083 0.000 1.053 115 I CA -0.611 60.739 61.300 0.084 0.000 1.050 115 I CB 2.191 40.221 38.000 0.049 0.000 1.239 115 I HN 0.040 nan 8.210 nan 0.000 0.439 116 E N 3.688 123.924 120.200 0.059 0.000 2.256 116 E HA 0.689 5.044 4.350 0.007 0.000 0.267 116 E C -1.379 175.278 176.600 0.095 0.000 0.892 116 E CA -0.808 55.625 56.400 0.055 0.000 0.775 116 E CB 3.022 32.687 29.700 -0.060 0.000 1.207 116 E HN 0.551 nan 8.360 nan 0.000 0.420 117 V N 1.770 121.728 119.914 0.073 0.000 2.663 117 V HA 0.143 4.267 4.120 0.007 0.000 0.286 117 V C -0.364 175.690 176.094 -0.068 0.000 1.085 117 V CA -0.824 61.459 62.300 -0.028 0.000 0.916 117 V CB 1.822 33.499 31.823 -0.244 0.000 1.039 117 V HN 0.633 nan 8.190 nan 0.000 0.453 118 T N 2.842 117.340 114.554 -0.093 0.000 2.919 118 T HA 0.465 4.820 4.350 0.007 0.000 0.302 118 T C 0.247 174.621 174.700 -0.543 0.000 1.031 118 T CA -0.018 61.919 62.100 -0.273 0.000 1.127 118 T CB 1.210 69.877 68.868 -0.335 0.000 0.952 118 T HN 0.795 nan 8.240 nan 0.000 0.540 119 S N 2.864 118.232 115.700 -0.554 0.000 2.653 119 S HA 0.395 4.870 4.470 0.007 0.000 0.268 119 S C -2.233 172.135 174.600 -0.387 0.000 1.153 119 S CA -1.173 56.617 58.200 -0.683 0.000 1.036 119 S CB 1.503 64.346 63.200 -0.597 0.000 1.103 119 S HN 0.459 nan 8.310 nan 0.000 0.466 120 P HA 0.140 nan 4.420 nan 0.000 0.240 120 P C 0.263 177.555 177.300 -0.014 0.000 1.190 120 P CA 0.563 63.602 63.100 -0.100 0.000 0.781 120 P CB -0.036 31.668 31.700 0.006 0.000 0.931 121 D N -0.551 119.848 120.400 -0.003 0.000 2.525 121 D HA 0.275 4.919 4.640 0.007 0.000 0.229 121 D C 0.717 177.058 176.300 0.068 0.000 1.202 121 D CA -0.326 53.712 54.000 0.064 0.000 0.828 121 D CB 0.126 41.004 40.800 0.131 0.000 1.008 121 D HN 0.124 nan 8.370 nan 0.000 0.493 122 G N 0.845 109.670 108.800 0.041 0.000 2.757 122 G HA2 -0.225 3.739 3.960 0.007 0.000 0.638 122 G HA3 -0.225 3.739 3.960 0.007 0.000 0.638 122 G C -0.678 174.294 174.900 0.120 0.000 1.344 122 G CA -0.756 44.400 45.100 0.095 0.000 0.855 122 G HN 0.241 nan 8.290 nan 0.000 0.537 123 F N 3.054 123.028 119.950 0.040 0.000 2.580 123 F HA 0.349 4.880 4.527 0.007 0.000 0.398 123 F C -0.622 175.255 175.800 0.128 0.000 1.023 123 F CA -0.214 57.816 58.000 0.051 0.000 1.188 123 F CB 0.441 39.468 39.000 0.044 0.000 1.005 123 F HN 0.339 nan 8.300 nan 0.000 0.546 124 P HA -0.013 nan 4.420 nan 0.000 0.268 124 P C -0.806 176.607 177.300 0.189 0.000 1.282 124 P CA 0.039 63.130 63.100 -0.015 0.000 0.880 124 P CB 0.417 32.080 31.700 -0.062 0.000 0.971 125 E N 5.410 125.804 120.200 0.323 0.000 2.324 125 E HA 0.060 4.414 4.350 0.007 0.000 0.271 125 E C -1.576 175.186 176.600 0.270 0.000 1.028 125 E CA -1.740 54.872 56.400 0.354 0.000 0.890 125 E CB 0.464 30.322 29.700 0.264 0.000 1.004 125 E HN 0.351 nan 8.360 nan 0.000 0.431 126 P HA -0.046 nan 4.420 nan 0.000 0.221 126 P C 1.438 178.691 177.300 -0.077 0.000 1.150 126 P CA 0.696 63.803 63.100 0.011 0.000 0.800 126 P CB 0.404 32.177 31.700 0.121 0.000 0.787 127 S N -0.407 115.312 115.700 0.031 0.000 2.377 127 S HA -0.261 4.214 4.470 0.007 0.000 0.224 127 S C 1.960 176.543 174.600 -0.029 0.000 1.042 127 S CA 1.735 59.945 58.200 0.016 0.000 1.086 127 S CB -0.774 62.459 63.200 0.054 0.000 0.995 127 S HN 0.152 nan 8.310 nan 0.000 0.428 128 Q N 0.325 120.115 119.800 -0.016 0.000 2.016 128 Q HA 0.338 4.682 4.340 0.007 0.000 0.200 128 Q C 1.183 177.102 176.000 -0.134 0.000 0.978 128 Q CA 1.029 56.807 55.803 -0.041 0.000 0.833 128 Q CB -0.619 28.125 28.738 0.010 0.000 0.895 128 Q HN 0.651 nan 8.270 nan 0.000 0.427 129 A N 0.891 123.574 122.820 -0.230 0.000 2.734 129 A HA -0.244 4.080 4.320 0.007 0.000 0.296 129 A C 0.807 178.261 177.584 -0.217 0.000 1.474 129 A CA 1.250 52.952 52.037 -0.559 0.000 0.735 129 A CB -2.023 16.531 19.000 -0.742 0.000 1.062 129 A HN 0.490 nan 8.150 nan 0.000 0.463 130 K N -0.178 120.186 120.400 -0.060 0.000 2.387 130 K HA 0.180 4.505 4.320 0.007 0.000 0.198 130 K C 0.155 176.620 176.600 -0.226 0.000 1.022 130 K CA 0.094 56.294 56.287 -0.145 0.000 1.128 130 K CB 0.333 32.718 32.500 -0.191 0.000 0.853 130 K HN 0.734 nan 8.250 nan 0.000 0.523 131 H N 1.186 120.397 119.070 0.236 0.000 2.690 131 H HA 0.324 4.884 4.556 0.007 0.000 0.368 131 H C -2.726 172.772 175.328 0.283 0.000 1.150 131 H CA -2.350 53.861 56.048 0.272 0.000 1.174 131 H CB 1.841 31.744 29.762 0.234 0.000 1.684 131 H HN -0.072 nan 8.280 nan 0.000 0.538 132 P HA 0.029 nan 4.420 nan 0.000 0.264 132 P C 0.125 177.554 177.300 0.216 0.000 1.193 132 P CA 0.273 63.531 63.100 0.263 0.000 0.763 132 P CB 0.372 32.224 31.700 0.254 0.000 0.810 133 I N 3.640 124.317 120.570 0.178 0.000 2.406 133 I HA 0.019 4.194 4.170 0.007 0.000 0.293 133 I C 0.727 176.921 176.117 0.129 0.000 1.101 133 I CA 0.285 61.649 61.300 0.106 0.000 1.334 133 I CB 0.308 38.356 38.000 0.080 0.000 1.421 133 I HN 0.398 nan 8.210 nan 0.000 0.513 134 D N 4.478 124.973 120.400 0.160 0.000 2.363 134 D HA 0.432 5.077 4.640 0.007 0.000 0.214 134 D C 0.102 176.565 176.300 0.271 0.000 1.093 134 D CA -0.215 53.912 54.000 0.212 0.000 0.837 134 D CB 0.642 41.562 40.800 0.200 0.000 0.948 134 D HN 0.460 nan 8.370 nan 0.000 0.507 135 A N 0.212 123.164 122.820 0.221 0.000 2.585 135 A HA 0.535 4.860 4.320 0.007 0.000 0.299 135 A C -1.906 175.775 177.584 0.162 0.000 1.047 135 A CA -1.038 51.132 52.037 0.222 0.000 0.723 135 A CB 0.592 19.723 19.000 0.218 0.000 1.275 135 A HN 0.397 nan 8.150 nan 0.000 0.408 136 I N -0.173 120.526 120.570 0.216 0.000 2.619 136 I HA 0.842 5.016 4.170 0.007 0.000 0.292 136 I C -0.849 175.498 176.117 0.383 0.000 1.100 136 I CA 0.030 61.464 61.300 0.223 0.000 1.043 136 I CB 2.586 40.590 38.000 0.007 0.000 1.239 136 I HN 0.458 nan 8.210 nan 0.000 0.420 137 T N 5.401 120.183 114.554 0.380 0.000 2.786 137 T HA 0.387 4.742 4.350 0.007 0.000 0.283 137 T C -1.201 173.867 174.700 0.613 0.000 0.992 137 T CA -0.083 62.295 62.100 0.463 0.000 0.954 137 T CB 0.195 69.266 68.868 0.338 0.000 0.934 137 T HN 0.694 nan 8.240 nan 0.000 0.440 138 H N 2.394 121.839 119.070 0.625 0.000 2.708 138 H HA 0.465 5.026 4.556 0.007 0.000 0.320 138 H C -1.437 174.242 175.328 0.585 0.000 0.991 138 H CA -0.791 55.656 56.048 0.665 0.000 1.243 138 H CB 0.561 30.804 29.762 0.802 0.000 1.446 138 H HN 0.672 nan 8.280 nan 0.000 0.502 139 Y N 4.627 125.111 120.300 0.307 0.000 2.323 139 Y HA 0.262 4.816 4.550 0.008 0.000 0.331 139 Y C -0.840 175.174 175.900 0.190 0.000 1.092 139 Y CA -0.600 57.548 58.100 0.080 0.000 1.150 139 Y CB 1.063 39.317 38.460 -0.343 0.000 1.200 139 Y HN 0.631 nan 8.280 nan 0.000 0.472 140 D N 3.788 123.756 120.400 -0.720 0.000 2.481 140 D HA 0.106 4.750 4.640 0.007 0.000 0.246 140 D C 0.406 176.301 176.300 -0.675 0.000 1.109 140 D CA -0.009 53.757 54.000 -0.390 0.000 0.845 140 D CB 1.804 42.633 40.800 0.049 0.000 1.160 140 D HN 0.797 nan 8.370 nan 0.000 0.534 141 S N 3.371 118.908 115.700 -0.272 0.000 2.419 141 S HA -0.122 4.352 4.470 0.007 0.000 0.233 141 S C 1.995 176.606 174.600 0.018 0.000 1.016 141 S CA 0.428 58.636 58.200 0.014 0.000 0.974 141 S CB -0.091 63.230 63.200 0.203 0.000 0.786 141 S HN 0.634 nan 8.310 nan 0.000 0.492 142 I N 1.693 122.254 120.570 -0.015 0.000 2.333 142 I HA -0.081 4.094 4.170 0.007 0.000 0.246 142 I C 1.783 177.908 176.117 0.013 0.000 1.106 142 I CA 1.242 62.548 61.300 0.010 0.000 1.411 142 I CB -0.179 37.821 38.000 0.000 0.000 1.082 142 I HN 0.208 nan 8.210 nan 0.000 0.420 143 D N -0.017 120.385 120.400 0.003 0.000 2.213 143 D HA -0.122 4.523 4.640 0.007 0.000 0.205 143 D C 0.562 176.871 176.300 0.017 0.000 0.961 143 D CA 0.883 54.910 54.000 0.046 0.000 0.853 143 D CB -0.199 40.695 40.800 0.156 0.000 0.967 143 D HN 0.163 nan 8.370 nan 0.000 0.496 144 D N 0.067 120.422 120.400 -0.075 0.000 2.716 144 D HA -0.161 4.484 4.640 0.007 0.000 0.239 144 D C -0.866 175.448 176.300 0.023 0.000 1.125 144 D CA 0.491 54.487 54.000 -0.007 0.000 0.681 144 D CB -0.411 40.472 40.800 0.140 0.000 1.070 144 D HN 0.069 nan 8.370 nan 0.000 0.432 145 R N 0.088 120.478 120.500 -0.184 0.000 2.795 145 R HA 0.561 4.905 4.340 0.007 0.000 0.275 145 R C -0.501 175.701 176.300 -0.163 0.000 0.981 145 R CA -0.674 55.357 56.100 -0.115 0.000 0.917 145 R CB 0.762 30.837 30.300 -0.374 0.000 1.202 145 R HN -0.009 nan 8.270 nan 0.000 0.469 146 F N 1.654 121.577 119.950 -0.046 0.000 2.385 146 F HA 0.365 4.896 4.527 0.007 0.000 0.360 146 F C -0.046 175.702 175.800 -0.087 0.000 1.122 146 F CA -0.810 57.268 58.000 0.129 0.000 1.090 146 F CB 0.635 39.740 39.000 0.175 0.000 1.150 146 F HN 0.276 nan 8.300 nan 0.000 0.472 147 Y N 2.593 123.069 120.300 0.293 0.000 2.425 147 Y HA 0.452 5.006 4.550 0.008 0.000 0.347 147 Y C -0.049 175.899 175.900 0.081 0.000 0.976 147 Y CA -0.882 57.245 58.100 0.045 0.000 1.190 147 Y CB 0.775 39.124 38.460 -0.186 0.000 1.136 147 Y HN 0.226 nan 8.280 nan 0.000 0.517 148 V N 5.590 125.528 119.914 0.041 0.000 2.364 148 V HA 0.232 4.357 4.120 0.007 0.000 0.272 148 V C -0.482 175.557 176.094 -0.091 0.000 1.036 148 V CA -0.837 61.509 62.300 0.078 0.000 0.880 148 V CB -0.127 31.726 31.823 0.050 0.000 0.991 148 V HN 0.441 nan 8.190 nan 0.000 0.460 149 F N 3.192 123.248 119.950 0.177 0.000 2.385 149 F HA 0.532 5.063 4.527 0.007 0.000 0.360 149 F C 0.264 176.203 175.800 0.233 0.000 1.122 149 F CA -0.472 57.678 58.000 0.249 0.000 1.090 149 F CB 1.254 40.354 39.000 0.167 0.000 1.150 149 F HN 0.417 nan 8.300 nan 0.000 0.472 150 D N 3.431 124.072 120.400 0.403 0.000 2.498 150 D HA 0.341 4.985 4.640 0.007 0.000 0.247 150 D C -1.538 175.009 176.300 0.411 0.000 1.070 150 D CA -0.576 53.648 54.000 0.374 0.000 0.842 150 D CB 2.018 43.049 40.800 0.385 0.000 1.361 150 D HN 0.392 nan 8.370 nan 0.000 0.484 151 L N 5.130 126.569 121.223 0.361 0.000 2.283 151 L HA 0.346 4.691 4.340 0.007 0.000 0.281 151 L C 0.315 177.300 176.870 0.193 0.000 1.033 151 L CA -0.206 54.803 54.840 0.282 0.000 0.848 151 L CB 0.625 42.819 42.059 0.225 0.000 1.226 151 L HN 0.567 nan 8.230 nan 0.000 0.429 152 L N 3.460 124.771 121.223 0.146 0.000 2.376 152 L HA 0.128 4.473 4.340 0.007 0.000 0.219 152 L C 0.168 177.048 176.870 0.018 0.000 1.133 152 L CA 0.416 55.277 54.840 0.035 0.000 0.816 152 L CB -0.381 41.705 42.059 0.045 0.000 0.933 152 L HN 0.627 nan 8.230 nan 0.000 0.449 153 N N -0.354 118.385 118.700 0.064 0.000 2.371 153 N HA 0.401 5.145 4.740 0.007 0.000 0.291 153 N C -1.166 174.382 175.510 0.063 0.000 1.053 153 N CA 0.007 53.086 53.050 0.050 0.000 0.870 153 N CB 2.389 40.905 38.487 0.047 0.000 1.503 153 N HN -0.107 nan 8.380 nan 0.000 0.485 154 S N 1.317 117.045 115.700 0.047 0.000 2.552 154 S HA 0.465 4.939 4.470 0.007 0.000 0.272 154 S C -2.283 172.307 174.600 -0.016 0.000 1.150 154 S CA -0.962 57.270 58.200 0.053 0.000 0.849 154 S CB 1.528 64.806 63.200 0.130 0.000 1.113 154 S HN 0.179 nan 8.310 nan 0.000 0.458 155 P HA -0.104 nan 4.420 nan 0.000 0.220 155 P C 0.206 177.276 177.300 -0.384 0.000 1.142 155 P CA 1.473 64.397 63.100 -0.294 0.000 0.801 155 P CB -0.256 31.157 31.700 -0.478 0.000 0.764 156 Y N -0.817 119.499 120.300 0.025 0.000 2.555 156 Y HA 0.526 5.081 4.550 0.008 0.000 0.259 156 Y C 1.418 177.311 175.900 -0.012 0.000 1.179 156 Y CA 0.224 58.330 58.100 0.010 0.000 1.230 156 Y CB 0.445 38.909 38.460 0.007 0.000 1.146 156 Y HN -0.045 nan 8.280 nan 0.000 0.526 157 G N 0.296 109.145 108.800 0.080 0.000 2.307 157 G HA2 -0.015 3.949 3.960 0.007 0.000 0.348 157 G HA3 -0.015 3.949 3.960 0.007 0.000 0.348 157 G C -1.777 173.129 174.900 0.010 0.000 1.603 157 G CA -1.290 43.832 45.100 0.038 0.000 0.961 157 G HN -0.040 nan 8.290 nan 0.000 0.686 158 N N 0.036 118.732 118.700 -0.006 0.000 2.424 158 N HA 0.658 5.403 4.740 0.007 0.000 0.271 158 N C 0.185 175.667 175.510 -0.047 0.000 0.985 158 N CA -0.239 52.799 53.050 -0.020 0.000 0.921 158 N CB 2.088 40.571 38.487 -0.008 0.000 1.149 158 N HN 1.258 nan 8.380 nan 0.000 0.492 159 V N -0.894 118.960 119.914 -0.100 0.000 2.914 159 V HA 0.638 4.762 4.120 0.007 0.000 0.314 159 V C 0.108 176.122 176.094 -0.135 0.000 1.084 159 V CA -0.995 61.206 62.300 -0.165 0.000 0.963 159 V CB 2.281 33.854 31.823 -0.416 0.000 1.025 159 V HN 0.523 nan 8.190 nan 0.000 0.432 160 E N 1.349 121.508 120.200 -0.068 0.000 2.349 160 E HA 0.356 4.711 4.350 0.007 0.000 0.262 160 E C -0.375 176.269 176.600 0.073 0.000 1.088 160 E CA -0.625 55.779 56.400 0.006 0.000 0.899 160 E CB 1.141 30.857 29.700 0.027 0.000 1.044 160 E HN 0.797 nan 8.360 nan 0.000 0.420 161 E N 0.563 120.847 120.200 0.140 0.000 2.508 161 E HA -0.118 4.236 4.350 0.007 0.000 0.266 161 E C -0.677 176.107 176.600 0.308 0.000 1.010 161 E CA 0.222 56.798 56.400 0.293 0.000 0.955 161 E CB 0.396 30.260 29.700 0.273 0.000 0.946 161 E HN 0.423 nan 8.360 nan 0.000 0.454 162 W N 3.020 124.415 121.300 0.158 0.000 2.253 162 W HA 0.050 4.714 4.660 0.007 0.000 0.322 162 W C -0.051 176.289 176.519 -0.299 0.000 1.342 162 W CA -0.190 57.083 57.345 -0.121 0.000 1.218 162 W CB 0.784 30.068 29.460 -0.294 0.000 1.205 162 W HN 0.193 nan 8.180 nan 0.000 0.551 163 S N 7.452 122.661 115.700 -0.819 0.000 2.422 163 S HA 0.155 4.629 4.470 0.007 0.000 0.298 163 S C 0.899 174.668 174.600 -1.386 0.000 1.118 163 S CA -0.712 56.987 58.200 -0.835 0.000 1.083 163 S CB 0.487 63.418 63.200 -0.449 0.000 0.971 163 S HN 0.716 nan 8.310 nan 0.000 0.478 164 I N 4.564 124.355 120.570 -1.299 0.000 2.286 164 I HA -0.158 4.016 4.170 0.007 0.000 0.248 164 I C 2.325 178.104 176.117 -0.563 0.000 1.115 164 I CA 2.050 62.694 61.300 -1.094 0.000 1.392 164 I CB -0.135 37.548 38.000 -0.530 0.000 1.065 164 I HN 0.964 nan 8.210 nan 0.000 0.418 165 E N 1.246 121.199 120.200 -0.412 0.000 2.085 165 E HA -0.263 4.091 4.350 0.007 0.000 0.194 165 E C 2.088 178.539 176.600 -0.249 0.000 0.994 165 E CA 1.954 58.200 56.400 -0.256 0.000 0.801 165 E CB -0.639 28.949 29.700 -0.187 0.000 0.743 165 E HN 0.571 nan 8.360 nan 0.000 0.453 166 I N 1.336 121.719 120.570 -0.312 0.000 2.252 166 I HA -0.202 3.973 4.170 0.007 0.000 0.245 166 I C 2.665 178.647 176.117 -0.225 0.000 1.102 166 I CA 0.996 62.149 61.300 -0.246 0.000 1.385 166 I CB -0.393 37.460 38.000 -0.245 0.000 1.064 166 I HN 0.298 nan 8.210 nan 0.000 0.414 167 A N 0.724 123.343 122.820 -0.335 0.000 2.019 167 A HA -0.136 4.188 4.320 0.007 0.000 0.219 167 A C 2.501 180.044 177.584 -0.069 0.000 1.164 167 A CA 1.786 53.734 52.037 -0.149 0.000 0.644 167 A CB -0.651 18.305 19.000 -0.072 0.000 0.805 167 A HN 0.441 nan 8.150 nan 0.000 0.449 168 A N -0.201 122.548 122.820 -0.118 0.000 1.929 168 A HA 0.028 4.352 4.320 0.007 0.000 0.216 168 A C 1.310 178.861 177.584 -0.056 0.000 1.176 168 A CA 0.665 52.656 52.037 -0.077 0.000 0.628 168 A CB -0.246 18.698 19.000 -0.094 0.000 0.816 168 A HN 0.491 nan 8.150 nan 0.000 0.444 169 K N 0.466 120.826 120.400 -0.068 0.000 2.518 169 K HA 0.205 4.529 4.320 0.007 0.000 0.276 169 K C -0.395 176.190 176.600 -0.026 0.000 0.974 169 K CA -0.025 56.233 56.287 -0.048 0.000 0.986 169 K CB 0.219 32.685 32.500 -0.057 0.000 0.901 169 K HN 0.407 nan 8.250 nan 0.000 0.497 170 L N 2.066 123.279 121.223 -0.017 0.000 2.464 170 L HA 0.031 4.375 4.340 0.007 0.000 0.264 170 L C 1.505 178.377 176.870 0.005 0.000 1.199 170 L CA -0.292 54.546 54.840 -0.003 0.000 0.818 170 L CB 0.071 42.127 42.059 -0.005 0.000 1.102 170 L HN 0.575 nan 8.230 nan 0.000 0.473 171 Q N 0.350 120.162 119.800 0.020 0.000 2.541 171 Q HA -0.124 4.220 4.340 0.007 0.000 0.215 171 Q C 0.699 176.711 176.000 0.019 0.000 0.977 171 Q CA 0.915 56.735 55.803 0.030 0.000 0.934 171 Q CB 0.152 28.923 28.738 0.056 0.000 0.988 171 Q HN 0.636 nan 8.270 nan 0.000 0.521 172 E N -0.028 120.177 120.200 0.009 0.000 2.431 172 E HA -0.018 4.336 4.350 0.007 0.000 0.200 172 E C 1.163 177.761 176.600 -0.003 0.000 0.995 172 E CA 0.186 56.588 56.400 0.004 0.000 0.915 172 E CB 0.397 30.098 29.700 0.001 0.000 0.930 172 E HN 0.174 nan 8.360 nan 0.000 0.496 173 Q N -0.435 119.361 119.800 -0.007 0.000 2.360 173 Q HA 0.111 4.455 4.340 0.007 0.000 0.202 173 Q C 0.349 176.340 176.000 -0.016 0.000 0.915 173 Q CA 0.532 56.327 55.803 -0.014 0.000 0.943 173 Q CB 0.482 29.208 28.738 -0.020 0.000 1.064 173 Q HN 0.334 nan 8.270 nan 0.000 0.511 174 G N -0.727 108.067 108.800 -0.010 0.000 2.144 174 G HA2 -0.195 3.770 3.960 0.007 0.000 0.218 174 G HA3 -0.195 3.770 3.960 0.007 0.000 0.218 174 G C 0.199 175.088 174.900 -0.018 0.000 0.988 174 G CA -0.163 44.930 45.100 -0.011 0.000 0.659 174 G HN 0.542 nan 8.290 nan 0.000 0.522 175 G N -1.076 107.714 108.800 -0.017 0.000 2.736 175 G HA2 0.555 4.519 3.960 0.007 0.000 0.229 175 G HA3 0.555 4.519 3.960 0.007 0.000 0.229 175 G C 0.216 175.116 174.900 0.001 0.000 1.380 175 G CA 0.554 45.639 45.100 -0.026 0.000 1.040 175 G HN 0.030 nan 8.290 nan 0.000 0.568 176 D N -0.906 119.501 120.400 0.011 0.000 2.449 176 D HA 0.094 4.739 4.640 0.007 0.000 0.210 176 D C 0.202 176.563 176.300 0.101 0.000 1.094 176 D CA 0.074 54.113 54.000 0.065 0.000 0.846 176 D CB 0.648 41.495 40.800 0.078 0.000 1.003 176 D HN 0.582 nan 8.370 nan 0.000 0.504 177 E N 0.531 120.763 120.200 0.053 0.000 2.252 177 E HA -0.156 4.199 4.350 0.007 0.000 0.218 177 E C -0.720 175.912 176.600 0.053 0.000 1.253 177 E CA -0.162 56.265 56.400 0.045 0.000 0.705 177 E CB -0.872 28.857 29.700 0.049 0.000 1.172 177 E HN 0.014 nan 8.360 nan 0.000 0.369 178 V N 1.407 121.346 119.914 0.043 0.000 2.470 178 V HA 0.139 4.263 4.120 0.007 0.000 0.276 178 V C -1.587 174.482 176.094 -0.043 0.000 1.040 178 V CA -1.136 61.172 62.300 0.013 0.000 1.008 178 V CB 0.543 32.387 31.823 0.035 0.000 0.990 178 V HN 0.179 nan 8.190 nan 0.000 0.477 179 P HA -0.005 nan 4.420 nan 0.000 0.264 179 P C 1.105 178.341 177.300 -0.106 0.000 1.173 179 P CA 0.488 63.545 63.100 -0.072 0.000 0.761 179 P CB 0.479 32.129 31.700 -0.083 0.000 0.794 180 S N 2.012 117.676 115.700 -0.059 0.000 2.378 180 S HA -0.263 4.212 4.470 0.007 0.000 0.229 180 S C 1.446 176.005 174.600 -0.069 0.000 1.052 180 S CA 1.981 60.149 58.200 -0.053 0.000 1.084 180 S CB -0.644 62.539 63.200 -0.028 0.000 0.950 180 S HN 0.612 nan 8.310 nan 0.000 0.440 181 E N 0.765 120.922 120.200 -0.072 0.000 2.267 181 E HA -0.109 4.245 4.350 0.007 0.000 0.197 181 E C 1.784 178.319 176.600 -0.109 0.000 0.998 181 E CA 1.281 57.647 56.400 -0.057 0.000 0.830 181 E CB -0.261 29.435 29.700 -0.007 0.000 0.751 181 E HN 0.870 nan 8.360 nan 0.000 0.491 182 I N -3.830 116.594 120.570 -0.242 0.000 4.227 182 I HA 0.153 4.328 4.170 0.007 0.000 0.334 182 I C 1.357 177.325 176.117 -0.250 0.000 1.341 182 I CA -0.226 60.878 61.300 -0.327 0.000 1.123 182 I CB 0.360 37.868 38.000 -0.819 0.000 1.097 182 I HN -0.112 nan 8.210 nan 0.000 0.399 183 I N 2.576 123.052 120.570 -0.157 0.000 2.226 183 I HA -0.205 3.969 4.170 0.007 0.000 0.245 183 I C 1.141 177.237 176.117 -0.036 0.000 1.100 183 I CA 1.714 62.963 61.300 -0.085 0.000 1.374 183 I CB -0.777 37.183 38.000 -0.066 0.000 1.057 183 I HN 0.320 nan 8.210 nan 0.000 0.413 184 D N 0.627 121.015 120.400 -0.021 0.000 2.323 184 D HA -0.011 4.634 4.640 0.007 0.000 0.239 184 D C 1.332 177.655 176.300 0.037 0.000 1.129 184 D CA 0.495 54.500 54.000 0.009 0.000 0.865 184 D CB 0.004 40.810 40.800 0.011 0.000 0.913 184 D HN 0.342 nan 8.370 nan 0.000 0.517 185 K N -0.491 119.941 120.400 0.053 0.000 2.477 185 K HA 0.271 4.596 4.320 0.007 0.000 0.208 185 K C 0.195 176.899 176.600 0.173 0.000 1.117 185 K CA -0.164 56.209 56.287 0.144 0.000 1.039 185 K CB 1.562 34.239 32.500 0.296 0.000 0.937 185 K HN 0.037 nan 8.250 nan 0.000 0.570 186 I N 2.201 122.812 120.570 0.069 0.000 2.371 186 I HA 0.205 4.380 4.170 0.007 0.000 0.290 186 I C -0.204 175.931 176.117 0.030 0.000 1.028 186 I CA -0.446 60.891 61.300 0.062 0.000 1.345 186 I CB 0.893 38.926 38.000 0.054 0.000 1.407 186 I HN -0.081 nan 8.210 nan 0.000 0.501 187 I N 7.298 127.825 120.570 -0.072 0.000 2.354 187 I HA 0.194 4.369 4.170 0.007 0.000 0.286 187 I C -0.828 175.289 176.117 0.001 0.000 1.007 187 I CA -0.657 60.598 61.300 -0.075 0.000 1.167 187 I CB 0.905 38.760 38.000 -0.242 0.000 1.320 187 I HN 0.444 nan 8.210 nan 0.000 0.458 188 Y N 8.038 128.315 120.300 -0.040 0.000 2.330 188 Y HA 0.663 5.217 4.550 0.008 0.000 0.336 188 Y C -0.767 175.083 175.900 -0.084 0.000 1.036 188 Y CA -1.065 57.018 58.100 -0.028 0.000 1.125 188 Y CB 1.329 39.892 38.460 0.171 0.000 1.194 188 Y HN 0.469 nan 8.280 nan 0.000 0.469 189 M N 9.916 129.023 119.600 -0.822 0.000 2.031 189 M HA 0.331 4.816 4.480 0.007 0.000 0.273 189 M C -2.696 173.049 176.300 -0.926 0.000 0.904 189 M CA -1.824 52.992 55.300 -0.806 0.000 0.963 189 M CB 1.820 34.063 32.600 -0.596 0.000 1.707 189 M HN 0.409 nan 8.290 nan 0.000 0.427 190 P HA 0.423 nan 4.420 nan 0.000 0.277 190 P C -1.220 175.692 177.300 -0.646 0.000 1.240 190 P CA -0.047 62.751 63.100 -0.503 0.000 0.798 190 P CB 0.753 32.313 31.700 -0.233 0.000 0.979 191 F N -0.076 119.881 119.950 0.012 0.000 2.578 191 F HA 0.235 4.766 4.527 0.007 0.000 0.311 191 F C 1.189 177.024 175.800 0.059 0.000 1.094 191 F CA -0.429 57.601 58.000 0.051 0.000 0.923 191 F CB 1.628 40.685 39.000 0.096 0.000 1.230 191 F HN 0.150 nan 8.300 nan 0.000 0.450 192 D N 0.735 121.277 120.400 0.237 0.000 2.120 192 D HA -0.047 4.597 4.640 0.007 0.000 0.202 192 D C 0.150 176.545 176.300 0.157 0.000 0.972 192 D CA 1.387 55.478 54.000 0.151 0.000 0.837 192 D CB -0.037 40.829 40.800 0.109 0.000 0.989 192 D HN 0.651 nan 8.370 nan 0.000 0.469 193 N N -0.957 117.855 118.700 0.186 0.000 2.312 193 N HA 0.162 4.906 4.740 0.007 0.000 0.296 193 N C 0.417 176.008 175.510 0.135 0.000 1.193 193 N CA -0.747 52.387 53.050 0.139 0.000 0.773 193 N CB 2.307 40.858 38.487 0.107 0.000 1.435 193 N HN -0.255 nan 8.380 nan 0.000 0.484 194 E N 0.610 120.873 120.200 0.105 0.000 2.023 194 E HA -0.293 4.061 4.350 0.007 0.000 0.196 194 E C 0.791 177.453 176.600 0.103 0.000 1.003 194 E CA 1.734 58.188 56.400 0.089 0.000 0.809 194 E CB 0.021 29.775 29.700 0.090 0.000 0.755 194 E HN 0.556 nan 8.360 nan 0.000 0.449 195 K N 0.929 121.425 120.400 0.160 0.000 2.107 195 K HA -0.219 4.105 4.320 0.007 0.000 0.211 195 K C 2.122 178.866 176.600 0.240 0.000 1.049 195 K CA 1.713 58.211 56.287 0.351 0.000 0.927 195 K CB -0.363 32.279 32.500 0.237 0.000 0.714 195 K HN 0.162 nan 8.250 nan 0.000 0.452 196 E N 0.385 120.663 120.200 0.131 0.000 2.028 196 E HA -0.130 4.225 4.350 0.007 0.000 0.191 196 E C 1.917 178.420 176.600 -0.162 0.000 0.988 196 E CA 0.977 57.433 56.400 0.093 0.000 0.799 196 E CB -0.333 29.502 29.700 0.224 0.000 0.755 196 E HN 0.229 nan 8.360 nan 0.000 0.447 197 L N 0.918 121.883 121.223 -0.430 0.000 1.989 197 L HA -0.188 4.157 4.340 0.007 0.000 0.211 197 L C 2.319 178.898 176.870 -0.485 0.000 1.071 197 L CA 1.777 55.980 54.840 -1.060 0.000 0.749 197 L CB -1.196 40.480 42.059 -0.638 0.000 0.890 197 L HN 0.113 nan 8.230 nan 0.000 0.431 198 L N -1.137 119.961 121.223 -0.209 0.000 1.971 198 L HA -0.278 4.066 4.340 0.007 0.000 0.215 198 L C 2.720 179.476 176.870 -0.189 0.000 1.072 198 L CA 2.144 56.909 54.840 -0.125 0.000 0.758 198 L CB -0.730 41.341 42.059 0.019 0.000 0.889 198 L HN 0.439 nan 8.230 nan 0.000 0.433 199 M N 0.184 119.632 119.600 -0.253 0.000 2.082 199 M HA -0.263 4.221 4.480 0.007 0.000 0.258 199 M C 2.138 178.373 176.300 -0.107 0.000 1.069 199 M CA 1.994 57.131 55.300 -0.272 0.000 1.102 199 M CB -0.229 32.245 32.600 -0.209 0.000 1.336 199 M HN 0.156 nan 8.290 nan 0.000 0.404 200 E N -1.040 119.142 120.200 -0.029 0.000 2.077 200 E HA -0.243 4.112 4.350 0.007 0.000 0.193 200 E C 1.890 178.596 176.600 0.176 0.000 0.989 200 E CA 1.705 58.184 56.400 0.132 0.000 0.800 200 E CB -0.668 29.213 29.700 0.301 0.000 0.746 200 E HN 0.668 nan 8.360 nan 0.000 0.452 201 Y N 0.574 120.791 120.300 -0.137 0.000 2.097 201 Y HA -0.190 4.364 4.550 0.007 0.000 0.282 201 Y C 2.002 177.899 175.900 -0.004 0.000 1.152 201 Y CA 2.004 59.939 58.100 -0.275 0.000 1.136 201 Y CB -0.515 37.602 38.460 -0.570 0.000 0.975 201 Y HN 0.086 nan 8.280 nan 0.000 0.498 202 L N 0.237 121.390 121.223 -0.116 0.000 2.043 202 L HA -0.337 4.008 4.340 0.007 0.000 0.212 202 L C 2.164 178.968 176.870 -0.110 0.000 1.075 202 L CA 1.735 56.465 54.840 -0.183 0.000 0.752 202 L CB -0.625 41.296 42.059 -0.229 0.000 0.891 202 L HN 0.323 nan 8.230 nan 0.000 0.432 203 N N -0.446 118.224 118.700 -0.051 0.000 2.142 203 N HA -0.221 4.523 4.740 0.007 0.000 0.186 203 N C 1.700 177.207 175.510 -0.004 0.000 1.023 203 N CA 1.323 54.364 53.050 -0.014 0.000 0.852 203 N CB -0.530 37.972 38.487 0.026 0.000 0.998 203 N HN 0.293 nan 8.380 nan 0.000 0.424 204 F N 1.031 120.912 119.950 -0.115 0.000 2.126 204 F HA -0.154 4.377 4.527 0.007 0.000 0.299 204 F C 2.296 177.912 175.800 -0.308 0.000 1.096 204 F CA 1.162 59.051 58.000 -0.185 0.000 1.255 204 F CB -0.361 38.577 39.000 -0.103 0.000 0.997 204 F HN 0.109 nan 8.300 nan 0.000 0.479 205 W N 1.400 122.191 121.300 -0.848 0.000 2.342 205 W HA -0.226 4.439 4.660 0.008 0.000 0.297 205 W C 2.148 178.327 176.519 -0.567 0.000 1.213 205 W CA 1.988 58.802 57.345 -0.885 0.000 1.251 205 W CB -0.675 28.368 29.460 -0.695 0.000 1.136 205 W HN 0.197 nan 8.180 nan 0.000 0.526 206 Q N 0.257 119.993 119.800 -0.106 0.000 2.079 206 Q HA -0.238 4.106 4.340 0.007 0.000 0.200 206 Q C 2.455 178.352 176.000 -0.172 0.000 0.974 206 Q CA 2.845 58.602 55.803 -0.075 0.000 0.840 206 Q CB -0.624 28.085 28.738 -0.048 0.000 0.898 206 Q HN 0.598 nan 8.270 nan 0.000 0.430 207 Q N -1.153 118.508 119.800 -0.230 0.000 2.331 207 Q HA 0.066 4.410 4.340 0.007 0.000 0.203 207 Q C 0.104 175.923 176.000 -0.302 0.000 0.944 207 Q CA 0.753 56.432 55.803 -0.207 0.000 0.892 207 Q CB 0.197 28.860 28.738 -0.127 0.000 0.983 207 Q HN -0.071 nan 8.270 nan 0.000 0.482 208 K N 1.810 121.887 120.400 -0.540 0.000 2.606 208 K HA 0.277 4.601 4.320 0.007 0.000 0.196 208 K C -1.305 174.839 176.600 -0.759 0.000 1.048 208 K CA -0.112 55.810 56.287 -0.608 0.000 1.017 208 K CB 1.537 33.601 32.500 -0.726 0.000 1.413 208 K HN -0.029 nan 8.250 nan 0.000 0.568 209 T N 3.536 117.768 114.554 -0.536 0.000 2.729 209 T HA 0.212 4.566 4.350 0.007 0.000 0.296 209 T C -2.407 172.020 174.700 -0.456 0.000 0.928 209 T CA -1.661 60.087 62.100 -0.587 0.000 1.045 209 T CB 0.705 69.411 68.868 -0.270 0.000 0.902 209 T HN 0.123 nan 8.240 nan 0.000 0.500 210 P HA 0.120 nan 4.420 nan 0.000 0.267 210 P C 0.554 177.790 177.300 -0.107 0.000 1.205 210 P CA -0.146 62.762 63.100 -0.320 0.000 0.765 210 P CB 0.680 32.139 31.700 -0.402 0.000 0.828 211 V N 3.999 123.898 119.914 -0.025 0.000 2.575 211 V HA 0.033 4.158 4.120 0.007 0.000 0.242 211 V C 1.034 177.178 176.094 0.083 0.000 1.045 211 V CA 1.296 63.627 62.300 0.052 0.000 1.065 211 V CB -0.147 31.730 31.823 0.091 0.000 0.717 211 V HN 0.442 nan 8.190 nan 0.000 0.467 212 I N 1.868 122.491 120.570 0.087 0.000 2.382 212 I HA 0.369 4.544 4.170 0.007 0.000 0.285 212 I C -0.858 175.340 176.117 0.136 0.000 1.007 212 I CA -0.474 60.897 61.300 0.117 0.000 1.142 212 I CB 1.454 39.531 38.000 0.129 0.000 1.289 212 I HN 0.104 nan 8.210 nan 0.000 0.453 213 L N 6.584 127.908 121.223 0.168 0.000 2.275 213 L HA 0.599 4.943 4.340 0.007 0.000 0.288 213 L C 0.148 177.186 176.870 0.280 0.000 1.046 213 L CA 0.720 55.697 54.840 0.227 0.000 0.805 213 L CB 1.449 43.680 42.059 0.288 0.000 1.193 213 L HN 0.695 nan 8.230 nan 0.000 0.426 214 T N 2.623 117.367 114.554 0.316 0.000 2.696 214 T HA 0.942 5.297 4.350 0.007 0.000 0.291 214 T C -0.637 174.258 174.700 0.326 0.000 1.095 214 T CA -0.098 62.200 62.100 0.330 0.000 1.026 214 T CB 1.436 70.520 68.868 0.361 0.000 1.390 214 T HN 1.070 nan 8.240 nan 0.000 0.513 215 G N -0.084 108.907 108.800 0.317 0.000 2.369 215 G HA2 0.146 4.111 3.960 0.007 0.000 0.307 215 G HA3 0.146 4.111 3.960 0.007 0.000 0.307 215 G C -1.891 173.197 174.900 0.313 0.000 1.327 215 G CA -0.696 44.560 45.100 0.260 0.000 0.963 215 G HN 0.737 nan 8.290 nan 0.000 0.590 216 W N 1.800 123.146 121.300 0.075 0.000 2.416 216 W HA 0.409 5.073 4.660 0.008 0.000 0.318 216 W C 0.871 177.430 176.519 0.067 0.000 1.150 216 W CA 0.587 57.985 57.345 0.088 0.000 1.392 216 W CB 0.566 30.054 29.460 0.047 0.000 1.311 216 W HN 0.928 nan 8.180 nan 0.000 0.436 217 N N 2.762 121.296 118.700 -0.277 0.000 2.829 217 N HA -0.270 4.474 4.740 0.007 0.000 0.250 217 N C 0.831 176.348 175.510 0.012 0.000 1.090 217 N CA 1.447 54.388 53.050 -0.182 0.000 0.781 217 N CB -1.130 37.288 38.487 -0.115 0.000 1.124 217 N HN 0.281 nan 8.380 nan 0.000 0.559 218 V N -3.260 116.666 119.914 0.019 0.000 2.626 218 V HA -0.045 4.079 4.120 0.007 0.000 0.252 218 V C 1.997 178.148 176.094 0.096 0.000 1.067 218 V CA 1.978 64.297 62.300 0.033 0.000 1.081 218 V CB -0.235 31.581 31.823 -0.013 0.000 0.686 218 V HN 0.301 nan 8.190 nan 0.000 0.468 219 E N 0.876 121.112 120.200 0.059 0.000 2.152 219 E HA -0.083 4.271 4.350 0.007 0.000 0.192 219 E C 2.207 178.833 176.600 0.044 0.000 0.983 219 E CA 1.513 57.938 56.400 0.042 0.000 0.818 219 E CB 0.156 29.840 29.700 -0.027 0.000 0.758 219 E HN 0.714 nan 8.360 nan 0.000 0.467 220 S N -0.880 114.860 115.700 0.066 0.000 2.502 220 S HA 0.094 4.569 4.470 0.007 0.000 0.215 220 S C 0.918 175.674 174.600 0.260 0.000 1.009 220 S CA -0.268 57.998 58.200 0.109 0.000 0.908 220 S CB 0.357 63.593 63.200 0.060 0.000 0.801 220 S HN 0.194 nan 8.310 nan 0.000 0.505 221 F N 1.763 121.777 119.950 0.107 0.000 2.373 221 F HA 0.530 5.062 4.527 0.007 0.000 0.253 221 F C 2.148 178.051 175.800 0.172 0.000 0.954 221 F CA 0.598 58.702 58.000 0.174 0.000 1.136 221 F CB -0.882 38.233 39.000 0.192 0.000 1.342 221 F HN 0.044 nan 8.300 nan 0.000 0.701 222 A N 1.649 124.487 122.820 0.030 0.000 1.852 222 A HA -0.224 4.101 4.320 0.007 0.000 0.217 222 A C 2.217 179.869 177.584 0.114 0.000 1.215 222 A CA 2.754 54.735 52.037 -0.093 0.000 0.641 222 A CB -1.562 17.262 19.000 -0.294 0.000 0.838 222 A HN 0.527 nan 8.150 nan 0.000 0.450 223 I N 0.180 120.905 120.570 0.259 0.000 2.091 223 I HA -0.229 3.945 4.170 0.007 0.000 0.239 223 I C -0.476 175.746 176.117 0.175 0.000 1.061 223 I CA 2.049 63.538 61.300 0.315 0.000 1.317 223 I CB -1.390 36.773 38.000 0.273 0.000 1.031 223 I HN 0.230 nan 8.210 nan 0.000 0.401 224 P HA -0.227 nan 4.420 nan 0.000 0.216 224 P C 1.523 178.861 177.300 0.062 0.000 1.150 224 P CA 1.655 64.793 63.100 0.063 0.000 0.843 224 P CB -0.114 31.616 31.700 0.050 0.000 0.787 225 Y N 0.399 120.626 120.300 -0.122 0.000 2.184 225 Y HA -0.161 4.393 4.550 0.008 0.000 0.290 225 Y C 2.203 178.061 175.900 -0.069 0.000 1.129 225 Y CA 1.184 59.167 58.100 -0.194 0.000 1.144 225 Y CB -0.947 37.176 38.460 -0.561 0.000 0.995 225 Y HN -0.218 nan 8.280 nan 0.000 0.513 226 V N -1.522 118.518 119.914 0.209 0.000 2.343 226 V HA -0.307 3.817 4.120 0.007 0.000 0.247 226 V C 2.090 178.228 176.094 0.072 0.000 1.051 226 V CA 2.104 64.495 62.300 0.153 0.000 1.036 226 V CB -1.761 30.155 31.823 0.155 0.000 0.654 226 V HN 0.479 nan 8.190 nan 0.000 0.451 227 Y N 2.258 122.540 120.300 -0.029 0.000 2.053 227 Y HA -0.274 4.281 4.550 0.007 0.000 0.277 227 Y C 2.574 178.430 175.900 -0.074 0.000 1.159 227 Y CA 2.627 60.688 58.100 -0.064 0.000 1.125 227 Y CB -0.601 37.827 38.460 -0.054 0.000 0.969 227 Y HN 0.332 nan 8.280 nan 0.000 0.492 228 N N -0.894 117.827 118.700 0.035 0.000 2.216 228 N HA -0.181 4.563 4.740 0.007 0.000 0.183 228 N C 1.927 177.337 175.510 -0.167 0.000 1.017 228 N CA 0.659 53.664 53.050 -0.075 0.000 0.861 228 N CB -0.148 38.282 38.487 -0.094 0.000 0.986 228 N HN 0.142 nan 8.380 nan 0.000 0.428 229 R N 1.700 122.085 120.500 -0.191 0.000 2.083 229 R HA 0.008 4.353 4.340 0.007 0.000 0.237 229 R C 1.905 178.184 176.300 -0.034 0.000 1.137 229 R CA 1.209 57.240 56.100 -0.115 0.000 0.951 229 R CB -0.524 29.772 30.300 -0.006 0.000 0.851 229 R HN 0.233 nan 8.270 nan 0.000 0.434 230 I N 0.347 120.906 120.570 -0.020 0.000 2.252 230 I HA -0.242 3.932 4.170 0.007 0.000 0.245 230 I C 2.410 178.538 176.117 0.018 0.000 1.102 230 I CA 1.311 62.659 61.300 0.080 0.000 1.385 230 I CB -0.332 37.641 38.000 -0.046 0.000 1.064 230 I HN 0.275 nan 8.210 nan 0.000 0.414 231 K N 1.220 121.505 120.400 -0.193 0.000 2.032 231 K HA -0.224 4.101 4.320 0.007 0.000 0.209 231 K C 1.796 178.326 176.600 -0.117 0.000 1.048 231 K CA 1.934 58.087 56.287 -0.222 0.000 0.927 231 K CB -0.052 32.237 32.500 -0.351 0.000 0.712 231 K HN 0.243 nan 8.250 nan 0.000 0.441 232 N N 0.653 119.285 118.700 -0.113 0.000 2.309 232 N HA -0.094 4.650 4.740 0.007 0.000 0.182 232 N C 1.764 177.188 175.510 -0.142 0.000 1.018 232 N CA 1.163 54.147 53.050 -0.110 0.000 0.876 232 N CB -0.057 38.364 38.487 -0.109 0.000 0.972 232 N HN 0.323 nan 8.380 nan 0.000 0.434 233 I N -1.222 119.237 120.570 -0.185 0.000 2.429 233 I HA -0.037 4.137 4.170 0.007 0.000 0.247 233 I C 0.638 176.445 176.117 -0.516 0.000 1.099 233 I CA 0.772 61.824 61.300 -0.413 0.000 1.422 233 I CB 0.013 37.635 38.000 -0.630 0.000 1.112 233 I HN -0.084 nan 8.210 nan 0.000 0.430 234 F N 1.037 120.934 119.950 -0.088 0.000 2.664 234 F HA 0.456 4.988 4.527 0.007 0.000 0.303 234 F C 1.151 176.897 175.800 -0.090 0.000 1.092 234 F CA 0.039 57.989 58.000 -0.082 0.000 1.305 234 F CB -0.101 38.847 39.000 -0.087 0.000 1.054 234 F HN 0.087 nan 8.300 nan 0.000 0.565 235 G N 0.974 109.786 108.800 0.019 0.000 2.758 235 G HA2 -0.271 3.693 3.960 0.007 0.000 0.686 235 G HA3 -0.271 3.693 3.960 0.007 0.000 0.686 235 G C 0.439 175.309 174.900 -0.050 0.000 1.389 235 G CA -0.076 45.012 45.100 -0.019 0.000 0.845 235 G HN 0.326 nan 8.290 nan 0.000 0.572 236 E N -0.286 119.875 120.200 -0.065 0.000 2.150 236 E HA -0.080 4.275 4.350 0.007 0.000 0.193 236 E C 2.575 179.123 176.600 -0.088 0.000 0.985 236 E CA 1.549 57.893 56.400 -0.093 0.000 0.814 236 E CB -0.178 29.500 29.700 -0.037 0.000 0.752 236 E HN 0.472 nan 8.360 nan 0.000 0.466 237 S N -0.115 115.553 115.700 -0.054 0.000 2.368 237 S HA -0.146 4.329 4.470 0.007 0.000 0.225 237 S C 1.968 176.525 174.600 -0.072 0.000 1.030 237 S CA 1.621 59.792 58.200 -0.048 0.000 0.999 237 S CB -0.351 62.832 63.200 -0.029 0.000 0.844 237 S HN 0.385 nan 8.310 nan 0.000 0.459 238 T N 2.456 116.964 114.554 -0.077 0.000 2.708 238 T HA -0.038 4.316 4.350 0.007 0.000 0.266 238 T C 2.173 176.760 174.700 -0.189 0.000 1.037 238 T CA 1.167 63.196 62.100 -0.119 0.000 1.146 238 T CB -0.605 68.213 68.868 -0.084 0.000 0.865 238 T HN 0.454 nan 8.240 nan 0.000 0.435 239 A N 1.871 124.545 122.820 -0.242 0.000 1.903 239 A HA -0.216 4.109 4.320 0.007 0.000 0.219 239 A C 2.190 179.628 177.584 -0.243 0.000 1.191 239 A CA 1.976 53.758 52.037 -0.426 0.000 0.638 239 A CB -0.598 17.886 19.000 -0.860 0.000 0.823 239 A HN 0.382 nan 8.150 nan 0.000 0.451 240 K N -0.288 120.045 120.400 -0.111 0.000 2.442 240 K HA -0.049 4.276 4.320 0.007 0.000 0.199 240 K C 1.991 178.552 176.600 -0.065 0.000 1.044 240 K CA 0.714 56.997 56.287 -0.008 0.000 0.941 240 K CB -0.127 32.369 32.500 -0.006 0.000 0.759 240 K HN 0.464 nan 8.250 nan 0.000 0.472 241 R N 0.010 120.429 120.500 -0.134 0.000 2.148 241 R HA -0.071 4.273 4.340 0.007 0.000 0.227 241 R C 1.934 178.091 176.300 -0.239 0.000 1.103 241 R CA 0.879 56.886 56.100 -0.155 0.000 0.983 241 R CB -0.450 29.745 30.300 -0.174 0.000 0.874 241 R HN 0.230 nan 8.270 nan 0.000 0.451 242 L N 0.855 121.859 121.223 -0.364 0.000 2.129 242 L HA -0.136 4.209 4.340 0.007 0.000 0.212 242 L C 1.376 178.116 176.870 -0.217 0.000 1.087 242 L CA 0.857 55.330 54.840 -0.611 0.000 0.757 242 L CB -0.244 41.513 42.059 -0.504 0.000 0.896 242 L HN 0.030 nan 8.230 nan 0.000 0.434 243 S N -0.148 115.521 115.700 -0.053 0.000 2.452 243 S HA 0.220 4.695 4.470 0.007 0.000 0.284 243 S C -1.336 173.261 174.600 -0.004 0.000 1.171 243 S CA -1.671 56.549 58.200 0.033 0.000 1.064 243 S CB 1.012 64.257 63.200 0.076 0.000 0.967 243 S HN -0.050 nan 8.310 nan 0.000 0.484 244 P HA -0.115 nan 4.420 nan 0.000 0.221 244 P C 0.470 177.690 177.300 -0.133 0.000 1.145 244 P CA 1.217 64.249 63.100 -0.113 0.000 0.795 244 P CB -0.084 31.484 31.700 -0.221 0.000 0.775 245 H N -0.538 118.540 119.070 0.012 0.000 2.551 245 H HA 0.241 4.801 4.556 0.007 0.000 0.271 245 H C 0.784 176.011 175.328 -0.168 0.000 0.984 245 H CA 0.075 56.048 56.048 -0.125 0.000 1.164 245 H CB 0.102 29.672 29.762 -0.320 0.000 1.437 245 H HN 0.010 nan 8.280 nan 0.000 0.550 246 R N -0.092 120.405 120.500 -0.005 0.000 3.953 246 R HA -0.192 4.152 4.340 0.007 0.000 0.340 246 R C 0.217 176.477 176.300 -0.067 0.000 1.195 246 R CA 0.601 56.681 56.100 -0.033 0.000 0.929 246 R CB -2.176 28.104 30.300 -0.033 0.000 1.402 246 R HN 0.369 nan 8.270 nan 0.000 0.540 247 K N 1.461 121.807 120.400 -0.090 0.000 2.323 247 K HA 0.394 4.718 4.320 0.007 0.000 0.259 247 K C -0.125 176.442 176.600 -0.056 0.000 0.947 247 K CA -0.067 56.102 56.287 -0.197 0.000 0.819 247 K CB 1.393 33.597 32.500 -0.493 0.000 1.109 247 K HN 0.158 nan 8.250 nan 0.000 0.429 248 T N 0.456 115.000 114.554 -0.017 0.000 2.887 248 T HA 0.555 4.909 4.350 0.007 0.000 0.292 248 T C -0.931 173.820 174.700 0.085 0.000 1.087 248 T CA -1.066 61.103 62.100 0.116 0.000 1.009 248 T CB 1.543 70.443 68.868 0.054 0.000 1.203 248 T HN 0.611 nan 8.240 nan 0.000 0.518 249 R N 0.584 121.148 120.500 0.107 0.000 2.621 249 R HA 0.636 4.981 4.340 0.007 0.000 0.284 249 R C -2.070 174.199 176.300 -0.051 0.000 0.998 249 R CA -0.751 55.388 56.100 0.065 0.000 0.895 249 R CB 2.211 32.622 30.300 0.185 0.000 1.195 249 R HN 0.593 nan 8.270 nan 0.000 0.450 250 V N 4.770 124.654 119.914 -0.050 0.000 2.347 250 V HA 0.299 4.423 4.120 0.007 0.000 0.280 250 V C -0.011 176.058 176.094 -0.041 0.000 1.021 250 V CA -0.600 61.656 62.300 -0.073 0.000 0.847 250 V CB 1.389 33.182 31.823 -0.050 0.000 0.990 250 V HN 0.628 nan 8.190 nan 0.000 0.444 251 K N 4.712 125.082 120.400 -0.049 0.000 2.290 251 K HA 0.400 4.724 4.320 0.007 0.000 0.250 251 K C -0.732 175.850 176.600 -0.031 0.000 1.092 251 K CA -0.320 55.944 56.287 -0.038 0.000 1.006 251 K CB 1.305 33.777 32.500 -0.047 0.000 1.549 251 K HN 0.507 nan 8.250 nan 0.000 0.436 252 V N 5.950 125.852 119.914 -0.021 0.000 2.508 252 V HA 0.138 4.262 4.120 0.007 0.000 0.281 252 V C 0.095 176.181 176.094 -0.013 0.000 1.041 252 V CA 0.099 62.392 62.300 -0.011 0.000 1.016 252 V CB 0.720 32.541 31.823 -0.004 0.000 0.984 252 V HN 0.659 nan 8.190 nan 0.000 0.478 253 I N 5.154 125.719 120.570 -0.010 0.000 2.782 253 I HA 0.390 4.564 4.170 0.007 0.000 0.279 253 I C 0.024 176.139 176.117 -0.004 0.000 1.247 253 I CA -0.601 60.691 61.300 -0.014 0.000 1.062 253 I CB 0.785 38.769 38.000 -0.027 0.000 1.421 253 I HN 0.598 nan 8.210 nan 0.000 0.558 254 E N 3.640 123.840 120.200 0.000 0.000 2.175 254 E HA -0.067 4.287 4.350 0.007 0.000 0.247 254 E C 0.083 176.683 176.600 -0.000 0.000 1.259 254 E CA 0.182 56.587 56.400 0.009 0.000 0.969 254 E CB -0.238 29.467 29.700 0.008 0.000 1.051 254 E HN 0.482 nan 8.360 nan 0.000 0.448 255 N N 2.543 121.249 118.700 0.011 0.000 2.292 255 N HA -0.146 4.598 4.740 0.007 0.000 0.242 255 N C 1.044 176.542 175.510 -0.021 0.000 1.243 255 N CA 0.190 53.242 53.050 0.003 0.000 0.851 255 N CB 0.486 38.999 38.487 0.044 0.000 1.093 255 N HN 0.394 nan 8.380 nan 0.000 0.450 256 M N 1.627 121.166 119.600 -0.102 0.000 2.331 256 M HA -0.240 4.245 4.480 0.007 0.000 0.260 256 M C 0.477 176.626 176.300 -0.250 0.000 1.072 256 M CA 1.660 56.833 55.300 -0.212 0.000 1.065 256 M CB -0.840 31.561 32.600 -0.332 0.000 1.392 256 M HN 0.637 nan 8.290 nan 0.000 0.427 257 Y N -0.695 119.613 120.300 0.013 0.000 2.344 257 Y HA 0.382 4.936 4.550 0.007 0.000 0.261 257 Y C 1.986 177.902 175.900 0.028 0.000 1.080 257 Y CA 0.496 58.609 58.100 0.022 0.000 1.151 257 Y CB -0.986 37.490 38.460 0.026 0.000 1.059 257 Y HN 0.092 nan 8.280 nan 0.000 0.490 258 G N -0.846 108.089 108.800 0.224 0.000 2.667 258 G HA2 0.442 4.407 3.960 0.007 0.000 0.310 258 G HA3 0.442 4.407 3.960 0.007 0.000 0.310 258 G C -0.647 174.315 174.900 0.104 0.000 1.259 258 G CA -0.572 44.612 45.100 0.141 0.000 1.019 258 G HN 0.127 nan 8.290 nan 0.000 0.496 259 S N -1.014 114.741 115.700 0.091 0.000 2.589 259 S HA 0.489 4.964 4.470 0.007 0.000 0.265 259 S C 0.265 174.915 174.600 0.083 0.000 1.342 259 S CA -0.010 58.235 58.200 0.074 0.000 1.005 259 S CB 0.599 63.839 63.200 0.067 0.000 0.909 259 S HN 0.625 nan 8.310 nan 0.000 0.555 260 R N 1.367 121.905 120.500 0.064 0.000 2.678 260 R HA 0.194 4.539 4.340 0.007 0.000 0.267 260 R C -1.876 174.447 176.300 0.038 0.000 1.173 260 R CA -0.281 55.857 56.100 0.063 0.000 1.061 260 R CB 0.815 31.145 30.300 0.049 0.000 1.262 260 R HN 0.664 nan 8.270 nan 0.000 0.427 261 E N 4.823 125.049 120.200 0.043 0.000 2.238 261 E HA 0.451 4.806 4.350 0.007 0.000 0.267 261 E C -0.626 175.973 176.600 -0.002 0.000 0.887 261 E CA -1.111 55.298 56.400 0.014 0.000 0.769 261 E CB 2.253 31.961 29.700 0.014 0.000 1.187 261 E HN 0.303 nan 8.360 nan 0.000 0.416 262 I N 3.635 124.185 120.570 -0.033 0.000 2.439 262 I HA 0.323 4.497 4.170 0.007 0.000 0.283 262 I C -0.480 175.583 176.117 -0.090 0.000 1.023 262 I CA -0.693 60.576 61.300 -0.052 0.000 1.100 262 I CB 0.920 38.886 38.000 -0.056 0.000 1.238 262 I HN 0.450 nan 8.210 nan 0.000 0.445 263 I N 5.534 126.033 120.570 -0.118 0.000 2.331 263 I HA 0.247 4.422 4.170 0.007 0.000 0.292 263 I C 0.532 176.563 176.117 -0.145 0.000 0.998 263 I CA 0.248 61.420 61.300 -0.214 0.000 1.267 263 I CB 1.449 39.212 38.000 -0.395 0.000 1.386 263 I HN 0.453 nan 8.210 nan 0.000 0.476 264 T N 7.553 122.032 114.554 -0.125 0.000 2.743 264 T HA 0.496 4.851 4.350 0.007 0.000 0.292 264 T C -0.043 174.643 174.700 -0.024 0.000 0.972 264 T CA -0.460 61.584 62.100 -0.094 0.000 0.967 264 T CB 0.221 69.019 68.868 -0.116 0.000 0.926 264 T HN 0.239 nan 8.240 nan 0.000 0.459 265 L N 4.320 125.534 121.223 -0.016 0.000 2.270 265 L HA 0.427 4.772 4.340 0.007 0.000 0.286 265 L C -0.243 176.684 176.870 0.094 0.000 1.059 265 L CA -0.809 54.077 54.840 0.078 0.000 0.839 265 L CB -0.037 42.074 42.059 0.087 0.000 1.221 265 L HN 0.541 nan 8.230 nan 0.000 0.431 266 F N 2.056 122.019 119.950 0.022 0.000 2.529 266 F HA 0.317 4.848 4.527 0.008 0.000 0.365 266 F C 1.501 177.361 175.800 0.099 0.000 1.102 266 F CA 1.032 59.070 58.000 0.063 0.000 1.271 266 F CB 0.795 39.816 39.000 0.034 0.000 1.120 266 F HN 0.706 nan 8.300 nan 0.000 0.579 267 G N 2.842 111.816 108.800 0.289 0.000 2.175 267 G HA2 -0.257 3.707 3.960 0.007 0.000 0.244 267 G HA3 -0.257 3.707 3.960 0.007 0.000 0.244 267 G C -0.228 174.734 174.900 0.102 0.000 0.982 267 G CA -0.147 45.056 45.100 0.173 0.000 0.641 267 G HN 0.561 nan 8.290 nan 0.000 0.527 268 I N 1.014 121.649 120.570 0.109 0.000 2.533 268 I HA 0.391 4.565 4.170 0.007 0.000 0.290 268 I C -0.104 176.071 176.117 0.096 0.000 1.056 268 I CA -0.789 60.581 61.300 0.116 0.000 1.057 268 I CB 2.337 40.438 38.000 0.169 0.000 1.240 268 I HN -0.023 nan 8.210 nan 0.000 0.423 269 S N 4.853 120.615 115.700 0.103 0.000 3.036 269 S HA 0.209 4.683 4.470 0.007 0.000 0.301 269 S C 0.053 174.726 174.600 0.121 0.000 1.205 269 S CA -0.458 57.798 58.200 0.093 0.000 0.999 269 S CB 0.038 63.286 63.200 0.080 0.000 1.337 269 S HN 0.301 nan 8.310 nan 0.000 0.515 270 V N 5.740 125.730 119.914 0.126 0.000 2.450 270 V HA 0.089 4.213 4.120 0.007 0.000 0.281 270 V C 0.162 176.368 176.094 0.186 0.000 1.019 270 V CA 0.351 62.747 62.300 0.161 0.000 1.062 270 V CB -0.058 31.849 31.823 0.139 0.000 0.979 270 V HN 0.658 nan 8.190 nan 0.000 0.477 271 L N 4.883 126.238 121.223 0.220 0.000 2.408 271 L HA 0.387 4.731 4.340 0.007 0.000 0.257 271 L C 0.193 177.221 176.870 0.264 0.000 1.053 271 L CA -0.487 54.523 54.840 0.284 0.000 0.922 271 L CB 1.175 43.376 42.059 0.236 0.000 1.261 271 L HN 0.555 nan 8.230 nan 0.000 0.458 272 D N 0.797 121.304 120.400 0.177 0.000 2.493 272 D HA -0.153 4.492 4.640 0.007 0.000 0.240 272 D C 0.612 176.977 176.300 0.108 0.000 1.142 272 D CA 0.454 54.515 54.000 0.101 0.000 0.872 272 D CB 0.934 41.707 40.800 -0.046 0.000 1.173 272 D HN 0.356 nan 8.370 nan 0.000 0.467 273 Y N 3.477 123.813 120.300 0.060 0.000 2.373 273 Y HA -0.048 4.507 4.550 0.007 0.000 0.293 273 Y C 2.165 178.038 175.900 -0.045 0.000 1.129 273 Y CA 0.629 58.823 58.100 0.157 0.000 1.226 273 Y CB 0.010 38.680 38.460 0.350 0.000 1.000 273 Y HN 0.550 nan 8.280 nan 0.000 0.549 274 I N -0.258 120.046 120.570 -0.443 0.000 2.286 274 I HA -0.331 3.843 4.170 0.007 0.000 0.248 274 I C 1.610 177.522 176.117 -0.342 0.000 1.115 274 I CA 1.838 62.709 61.300 -0.715 0.000 1.392 274 I CB -0.093 37.366 38.000 -0.901 0.000 1.065 274 I HN 0.152 nan 8.210 nan 0.000 0.418 275 D N 0.058 120.279 120.400 -0.299 0.000 2.194 275 D HA -0.057 4.587 4.640 0.007 0.000 0.204 275 D C 2.242 178.452 176.300 -0.150 0.000 0.964 275 D CA 0.989 54.787 54.000 -0.336 0.000 0.846 275 D CB -0.086 40.353 40.800 -0.602 0.000 0.962 275 D HN 0.334 nan 8.370 nan 0.000 0.490 276 L N -0.295 120.910 121.223 -0.030 0.000 2.201 276 L HA -0.150 4.195 4.340 0.007 0.000 0.212 276 L C 2.276 178.969 176.870 -0.295 0.000 1.105 276 L CA 0.755 55.528 54.840 -0.112 0.000 0.775 276 L CB -0.251 41.723 42.059 -0.143 0.000 0.913 276 L HN 0.053 nan 8.230 nan 0.000 0.440 277 Y N 0.726 120.894 120.300 -0.220 0.000 2.206 277 Y HA -0.163 4.392 4.550 0.007 0.000 0.292 277 Y C 2.557 178.405 175.900 -0.087 0.000 1.123 277 Y CA 1.372 59.490 58.100 0.031 0.000 1.142 277 Y CB 0.112 38.766 38.460 0.323 0.000 1.006 277 Y HN -0.061 nan 8.280 nan 0.000 0.518 278 K N 0.220 120.610 120.400 -0.016 0.000 2.032 278 K HA -0.220 4.105 4.320 0.007 0.000 0.209 278 K C 2.213 178.599 176.600 -0.358 0.000 1.048 278 K CA 1.652 57.837 56.287 -0.171 0.000 0.927 278 K CB -0.166 32.156 32.500 -0.297 0.000 0.712 278 K HN 0.207 nan 8.250 nan 0.000 0.441 279 K N 0.044 120.143 120.400 -0.501 0.000 2.001 279 K HA -0.084 4.240 4.320 0.007 0.000 0.208 279 K C 1.851 178.005 176.600 -0.744 0.000 1.048 279 K CA 1.382 57.244 56.287 -0.708 0.000 0.932 279 K CB 0.037 31.928 32.500 -1.016 0.000 0.715 279 K HN 0.036 nan 8.250 nan 0.000 0.437 280 F N 0.150 119.745 119.950 -0.591 0.000 2.746 280 F HA 0.042 4.574 4.527 0.007 0.000 0.297 280 F C 2.359 177.886 175.800 -0.455 0.000 1.113 280 F CA 0.377 57.959 58.000 -0.696 0.000 1.367 280 F CB -0.217 38.022 39.000 -1.268 0.000 1.111 280 F HN 0.034 nan 8.300 nan 0.000 0.590 281 S N -0.741 114.772 115.700 -0.311 0.000 2.436 281 S HA -0.098 4.376 4.470 0.007 0.000 0.228 281 S C 0.756 175.456 174.600 0.167 0.000 1.014 281 S CA 0.026 58.196 58.200 -0.051 0.000 0.950 281 S CB -0.970 61.791 63.200 -0.731 0.000 0.784 281 S HN 0.224 nan 8.310 nan 0.000 0.504 282 F N 2.497 122.393 119.950 -0.090 0.000 2.983 282 F HA -0.169 4.363 4.527 0.008 0.000 0.288 282 F C 0.449 176.243 175.800 -0.009 0.000 0.980 282 F CA 0.873 58.856 58.000 -0.029 0.000 0.965 282 F CB -2.263 36.741 39.000 0.008 0.000 0.967 282 F HN 0.537 nan 8.300 nan 0.000 0.800 283 T N -2.692 111.887 114.554 0.040 0.000 2.903 283 T HA 0.632 4.987 4.350 0.007 0.000 0.299 283 T C -0.815 173.912 174.700 0.045 0.000 1.093 283 T CA -1.040 61.090 62.100 0.050 0.000 1.002 283 T CB 2.489 71.373 68.868 0.026 0.000 1.127 283 T HN 0.127 nan 8.240 nan 0.000 0.488 284 N N 1.800 120.516 118.700 0.028 0.000 2.531 284 N HA 0.231 4.975 4.740 0.007 0.000 0.268 284 N C -0.893 174.592 175.510 -0.041 0.000 1.023 284 N CA -0.406 52.676 53.050 0.053 0.000 0.896 284 N CB 1.249 39.748 38.487 0.019 0.000 1.233 284 N HN 0.525 nan 8.380 nan 0.000 0.512 285 Q N 2.684 122.398 119.800 -0.143 0.000 2.260 285 Q HA 0.347 4.691 4.340 0.007 0.000 0.242 285 Q C -1.545 174.194 176.000 -0.435 0.000 0.932 285 Q CA -1.560 53.985 55.803 -0.430 0.000 0.891 285 Q CB 1.040 29.286 28.738 -0.821 0.000 1.222 285 Q HN 0.402 nan 8.270 nan 0.000 0.453 286 P HA -0.104 nan 4.420 nan 0.000 0.219 286 P C 0.125 177.010 177.300 -0.692 0.000 1.146 286 P CA 1.172 63.983 63.100 -0.480 0.000 0.808 286 P CB 0.422 31.881 31.700 -0.401 0.000 0.779 287 S N -2.668 112.465 115.700 -0.944 0.000 2.567 287 S HA 0.408 4.882 4.470 0.007 0.000 0.270 287 S C -1.616 172.578 174.600 -0.676 0.000 1.152 287 S CA -0.646 57.111 58.200 -0.740 0.000 0.835 287 S CB 0.171 62.898 63.200 -0.788 0.000 1.115 287 S HN -0.132 nan 8.310 nan 0.000 0.459 288 Y N 2.132 122.345 120.300 -0.145 0.000 2.669 288 Y HA 0.369 4.924 4.550 0.008 0.000 0.302 288 Y C 0.856 176.899 175.900 0.239 0.000 1.000 288 Y CA -0.373 57.769 58.100 0.071 0.000 1.222 288 Y CB 0.741 39.219 38.460 0.030 0.000 1.209 288 Y HN 0.691 nan 8.280 nan 0.000 0.571 289 S N -0.308 115.517 115.700 0.208 0.000 2.499 289 S HA 0.139 4.614 4.470 0.007 0.000 0.279 289 S C 1.153 175.769 174.600 0.026 0.000 1.219 289 S CA -0.719 57.603 58.200 0.203 0.000 1.062 289 S CB 1.258 64.511 63.200 0.088 0.000 0.978 289 S HN 0.480 nan 8.310 nan 0.000 0.489 290 L N 2.913 123.963 121.223 -0.289 0.000 2.064 290 L HA -0.159 4.185 4.340 0.007 0.000 0.216 290 L C 1.955 178.556 176.870 -0.449 0.000 1.077 290 L CA 2.438 56.719 54.840 -0.931 0.000 0.766 290 L CB -1.354 40.090 42.059 -1.025 0.000 0.890 290 L HN 0.965 nan 8.230 nan 0.000 0.435 291 D N -1.910 118.356 120.400 -0.224 0.000 2.116 291 D HA -0.317 4.327 4.640 0.007 0.000 0.193 291 D C 2.125 178.381 176.300 -0.075 0.000 0.998 291 D CA 1.817 55.739 54.000 -0.129 0.000 0.836 291 D CB -0.327 40.447 40.800 -0.043 0.000 0.951 291 D HN 0.576 nan 8.370 nan 0.000 0.449 292 Y N 0.240 120.459 120.300 -0.135 0.000 2.200 292 Y HA -0.116 4.439 4.550 0.008 0.000 0.290 292 Y C 2.097 177.934 175.900 -0.105 0.000 1.137 292 Y CA 1.201 59.241 58.100 -0.100 0.000 1.163 292 Y CB -0.018 38.380 38.460 -0.103 0.000 0.988 292 Y HN 0.000 nan 8.280 nan 0.000 0.518 293 I N -0.854 119.692 120.570 -0.040 0.000 2.286 293 I HA -0.241 3.933 4.170 0.007 0.000 0.245 293 I C 2.409 178.455 176.117 -0.119 0.000 1.104 293 I CA 1.304 62.538 61.300 -0.111 0.000 1.397 293 I CB -1.609 36.213 38.000 -0.297 0.000 1.072 293 I HN 0.160 nan 8.210 nan 0.000 0.417 294 S N 0.660 116.223 115.700 -0.227 0.000 2.365 294 S HA -0.263 4.211 4.470 0.007 0.000 0.225 294 S C 1.934 176.454 174.600 -0.135 0.000 1.039 294 S CA 1.698 59.782 58.200 -0.193 0.000 1.033 294 S CB -0.289 62.771 63.200 -0.232 0.000 0.887 294 S HN 0.445 nan 8.310 nan 0.000 0.447 295 E N -0.022 120.085 120.200 -0.154 0.000 2.033 295 E HA -0.187 4.168 4.350 0.007 0.000 0.199 295 E C 1.790 178.315 176.600 -0.125 0.000 1.011 295 E CA 1.492 57.796 56.400 -0.159 0.000 0.815 295 E CB -0.254 29.313 29.700 -0.220 0.000 0.755 295 E HN 0.511 nan 8.360 nan 0.000 0.451 296 F N 1.367 121.148 119.950 -0.282 0.000 2.126 296 F HA -0.214 4.318 4.527 0.008 0.000 0.299 296 F C 2.102 177.853 175.800 -0.081 0.000 1.096 296 F CA 1.461 59.346 58.000 -0.193 0.000 1.255 296 F CB 0.221 39.115 39.000 -0.178 0.000 0.997 296 F HN -0.013 nan 8.300 nan 0.000 0.479 297 E N -0.291 119.957 120.200 0.081 0.000 2.250 297 E HA 0.069 4.424 4.350 0.007 0.000 0.192 297 E C 1.809 178.375 176.600 -0.057 0.000 0.986 297 E CA 0.824 57.258 56.400 0.057 0.000 0.849 297 E CB 0.223 30.030 29.700 0.179 0.000 0.797 297 E HN 0.460 nan 8.360 nan 0.000 0.482 298 L N 0.330 121.507 121.223 -0.077 0.000 3.086 298 L HA 0.221 4.565 4.340 0.007 0.000 0.274 298 L C -0.313 176.510 176.870 -0.078 0.000 1.184 298 L CA -0.239 54.558 54.840 -0.072 0.000 1.002 298 L CB 0.116 42.121 42.059 -0.089 0.000 1.383 298 L HN -0.067 nan 8.230 nan 0.000 0.582 299 N N 1.246 119.881 118.700 -0.107 0.000 2.671 299 N HA -0.161 4.583 4.740 0.007 0.000 0.261 299 N C -0.661 174.799 175.510 -0.085 0.000 1.053 299 N CA 0.359 53.348 53.050 -0.102 0.000 0.732 299 N CB -0.911 37.524 38.487 -0.086 0.000 0.887 299 N HN 0.121 nan 8.380 nan 0.000 0.546 300 V N 0.169 120.026 119.914 -0.095 0.000 2.612 300 V HA 0.595 4.720 4.120 0.007 0.000 0.301 300 V C 0.875 176.913 176.094 -0.093 0.000 1.059 300 V CA -0.253 61.995 62.300 -0.087 0.000 0.886 300 V CB 1.757 33.525 31.823 -0.092 0.000 1.007 300 V HN 0.468 nan 8.190 nan 0.000 0.426 301 G N 4.840 113.596 108.800 -0.075 0.000 2.647 301 G HA2 0.159 4.123 3.960 0.007 0.000 0.234 301 G HA3 0.159 4.123 3.960 0.007 0.000 0.234 301 G C -0.040 174.807 174.900 -0.088 0.000 1.252 301 G CA -0.309 44.749 45.100 -0.070 0.000 0.846 301 G HN 0.964 nan 8.290 nan 0.000 0.589 302 K N 1.090 121.443 120.400 -0.078 0.000 2.383 302 K HA 0.244 4.568 4.320 0.007 0.000 0.286 302 K C -0.490 176.046 176.600 -0.106 0.000 1.051 302 K CA -0.712 55.522 56.287 -0.090 0.000 0.974 302 K CB 0.660 33.127 32.500 -0.055 0.000 0.968 302 K HN 0.137 nan 8.250 nan 0.000 0.475 303 L N 3.253 124.337 121.223 -0.232 0.000 2.780 303 L HA -0.051 4.294 4.340 0.007 0.000 0.275 303 L C 0.725 177.577 176.870 -0.030 0.000 1.153 303 L CA 0.783 55.329 54.840 -0.489 0.000 0.993 303 L CB -0.588 40.706 42.059 -1.275 0.000 1.319 303 L HN 0.624 nan 8.230 nan 0.000 0.479 304 K N 4.820 125.365 120.400 0.242 0.000 2.143 304 K HA 0.433 4.758 4.320 0.007 0.000 0.272 304 K C -1.151 175.752 176.600 0.506 0.000 1.001 304 K CA -0.534 55.912 56.287 0.265 0.000 0.915 304 K CB 1.182 33.757 32.500 0.123 0.000 1.047 304 K HN 0.567 nan 8.250 nan 0.000 0.458 305 Y N -0.465 119.962 120.300 0.211 0.000 2.521 305 Y HA 0.356 4.910 4.550 0.007 0.000 0.332 305 Y C -1.225 174.737 175.900 0.103 0.000 1.121 305 Y CA -1.381 56.810 58.100 0.151 0.000 1.037 305 Y CB 0.795 39.359 38.460 0.174 0.000 1.330 305 Y HN 0.374 nan 8.280 nan 0.000 0.452 306 D N 1.841 122.335 120.400 0.157 0.000 2.264 306 D HA 0.503 5.148 4.640 0.007 0.000 0.249 306 D C 0.721 177.106 176.300 0.141 0.000 1.070 306 D CA 1.417 55.462 54.000 0.076 0.000 0.912 306 D CB 1.511 42.352 40.800 0.068 0.000 1.193 306 D HN 1.203 nan 8.370 nan 0.000 0.427 307 G N 1.786 110.634 108.800 0.081 0.000 2.855 307 G HA2 -0.133 3.832 3.960 0.007 0.000 0.352 307 G HA3 -0.133 3.832 3.960 0.007 0.000 0.352 307 G C -2.718 172.296 174.900 0.189 0.000 1.415 307 G CA -0.989 44.180 45.100 0.116 0.000 0.871 307 G HN 0.493 nan 8.290 nan 0.000 0.543 308 P HA 0.434 nan 4.420 nan 0.000 0.281 308 P C 1.156 178.645 177.300 0.315 0.000 1.249 308 P CA -0.665 62.579 63.100 0.241 0.000 0.810 308 P CB 1.224 33.008 31.700 0.140 0.000 1.008 309 I N 2.401 123.190 120.570 0.366 0.000 2.248 309 I HA -0.313 3.862 4.170 0.007 0.000 0.248 309 I C 2.018 178.197 176.117 0.104 0.000 1.107 309 I CA 2.362 63.768 61.300 0.176 0.000 1.373 309 I CB -0.708 37.365 38.000 0.122 0.000 1.055 309 I HN 0.416 nan 8.210 nan 0.000 0.418 310 S N 0.620 116.362 115.700 0.070 0.000 2.465 310 S HA -0.205 4.269 4.470 0.007 0.000 0.241 310 S C 1.308 175.879 174.600 -0.049 0.000 1.000 310 S CA 1.259 59.446 58.200 -0.022 0.000 0.964 310 S CB -0.682 62.500 63.200 -0.031 0.000 0.763 310 S HN 0.769 nan 8.310 nan 0.000 0.512 311 K N -0.333 120.073 120.400 0.009 0.000 2.826 311 K HA 0.436 4.761 4.320 0.007 0.000 0.206 311 K C 0.607 177.216 176.600 0.014 0.000 1.116 311 K CA -0.418 55.867 56.287 -0.005 0.000 1.045 311 K CB 0.274 32.788 32.500 0.023 0.000 0.758 311 K HN 0.147 nan 8.250 nan 0.000 0.465 312 L N 1.260 122.491 121.223 0.013 0.000 2.127 312 L HA 0.176 4.520 4.340 0.007 0.000 0.203 312 L C 2.344 179.173 176.870 -0.069 0.000 1.080 312 L CA 1.293 56.163 54.840 0.050 0.000 0.768 312 L CB -0.248 41.877 42.059 0.111 0.000 0.924 312 L HN 0.302 nan 8.230 nan 0.000 0.444 313 R N -0.460 119.778 120.500 -0.437 0.000 2.127 313 R HA -0.219 4.125 4.340 0.007 0.000 0.238 313 R C 2.213 178.425 176.300 -0.147 0.000 1.134 313 R CA 1.915 57.662 56.100 -0.590 0.000 0.975 313 R CB -0.089 29.622 30.300 -0.983 0.000 0.865 313 R HN 0.566 nan 8.270 nan 0.000 0.447 314 E N -0.798 119.344 120.200 -0.097 0.000 2.122 314 E HA -0.063 4.292 4.350 0.007 0.000 0.190 314 E C 1.617 178.227 176.600 0.016 0.000 0.977 314 E CA 0.994 57.383 56.400 -0.018 0.000 0.820 314 E CB 0.227 29.927 29.700 -0.001 0.000 0.770 314 E HN 0.259 nan 8.360 nan 0.000 0.462 315 S N 0.582 116.296 115.700 0.023 0.000 2.387 315 S HA -0.054 4.421 4.470 0.007 0.000 0.226 315 S C 1.000 175.633 174.600 0.055 0.000 1.026 315 S CA 0.696 58.923 58.200 0.044 0.000 0.972 315 S CB 0.109 63.345 63.200 0.061 0.000 0.814 315 S HN 0.143 nan 8.310 nan 0.000 0.477 316 N N -0.266 118.473 118.700 0.065 0.000 2.884 316 N HA 0.033 4.778 4.740 0.007 0.000 0.211 316 N C 0.028 175.602 175.510 0.107 0.000 1.442 316 N CA -0.170 52.924 53.050 0.074 0.000 0.757 316 N CB -0.125 38.392 38.487 0.050 0.000 1.461 316 N HN 0.303 nan 8.380 nan 0.000 0.557 317 H N 0.539 119.637 119.070 0.048 0.000 2.422 317 H HA -0.164 4.397 4.556 0.008 0.000 0.298 317 H C 1.287 176.728 175.328 0.188 0.000 1.098 317 H CA 2.122 58.229 56.048 0.099 0.000 1.315 317 H CB 0.688 30.498 29.762 0.080 0.000 1.382 317 H HN 0.466 nan 8.280 nan 0.000 0.523 318 Q N 0.862 120.743 119.800 0.134 0.000 1.975 318 Q HA -0.158 4.186 4.340 0.007 0.000 0.205 318 Q C 2.558 178.603 176.000 0.075 0.000 0.990 318 Q CA 1.577 57.469 55.803 0.149 0.000 0.845 318 Q CB -0.244 28.532 28.738 0.063 0.000 0.913 318 Q HN 0.221 nan 8.270 nan 0.000 0.420 319 R N -0.664 119.799 120.500 -0.061 0.000 2.112 319 R HA -0.214 4.130 4.340 0.007 0.000 0.242 319 R C 2.289 178.380 176.300 -0.349 0.000 1.137 319 R CA 1.918 57.834 56.100 -0.306 0.000 0.944 319 R CB -1.322 28.777 30.300 -0.334 0.000 0.857 319 R HN 0.487 nan 8.270 nan 0.000 0.435 320 Y N 1.296 121.413 120.300 -0.306 0.000 2.069 320 Y HA -0.283 4.271 4.550 0.008 0.000 0.278 320 Y C 2.315 178.070 175.900 -0.241 0.000 1.175 320 Y CA 1.815 59.759 58.100 -0.260 0.000 1.134 320 Y CB -0.301 38.048 38.460 -0.185 0.000 0.965 320 Y HN -0.013 nan 8.280 nan 0.000 0.498 321 I N -0.883 119.564 120.570 -0.205 0.000 2.226 321 I HA -0.284 3.891 4.170 0.007 0.000 0.245 321 I C 2.437 178.347 176.117 -0.343 0.000 1.100 321 I CA 1.634 62.723 61.300 -0.353 0.000 1.374 321 I CB -1.499 36.147 38.000 -0.590 0.000 1.057 321 I HN 0.201 nan 8.210 nan 0.000 0.413 322 S N 0.084 115.682 115.700 -0.169 0.000 2.382 322 S HA -0.159 4.315 4.470 0.007 0.000 0.228 322 S C 1.961 176.639 174.600 0.131 0.000 1.027 322 S CA 0.995 59.203 58.200 0.014 0.000 0.991 322 S CB -0.267 63.030 63.200 0.162 0.000 0.823 322 S HN 0.322 nan 8.310 nan 0.000 0.469 323 Y N 2.182 122.407 120.300 -0.124 0.000 2.263 323 Y HA 0.036 4.590 4.550 0.007 0.000 0.292 323 Y C 2.418 178.222 175.900 -0.159 0.000 1.130 323 Y CA -0.162 57.857 58.100 -0.135 0.000 1.179 323 Y CB -1.107 37.248 38.460 -0.175 0.000 0.998 323 Y HN 0.366 nan 8.280 nan 0.000 0.532 324 N N 0.610 119.272 118.700 -0.062 0.000 2.223 324 N HA -0.148 4.597 4.740 0.007 0.000 0.185 324 N C 1.649 177.163 175.510 0.006 0.000 1.016 324 N CA 1.078 54.083 53.050 -0.076 0.000 0.863 324 N CB -0.051 38.351 38.487 -0.141 0.000 0.983 324 N HN 0.318 nan 8.380 nan 0.000 0.429 325 I N 0.727 121.284 120.570 -0.022 0.000 2.162 325 I HA -0.208 3.967 4.170 0.007 0.000 0.238 325 I C 2.192 178.346 176.117 0.063 0.000 1.076 325 I CA 0.809 62.111 61.300 0.003 0.000 1.353 325 I CB -0.342 37.572 38.000 -0.144 0.000 1.063 325 I HN 0.025 nan 8.210 nan 0.000 0.408 326 I N 1.333 121.938 120.570 0.057 0.000 2.335 326 I HA -0.309 3.865 4.170 0.007 0.000 0.251 326 I C 2.836 178.993 176.117 0.067 0.000 1.129 326 I CA 1.318 62.673 61.300 0.092 0.000 1.402 326 I CB -0.528 37.515 38.000 0.072 0.000 1.069 326 I HN 0.221 nan 8.210 nan 0.000 0.424 327 A N 0.543 123.374 122.820 0.019 0.000 1.883 327 A HA -0.186 4.139 4.320 0.007 0.000 0.217 327 A C 2.459 180.067 177.584 0.041 0.000 1.186 327 A CA 2.089 54.114 52.037 -0.020 0.000 0.624 327 A CB -1.074 17.912 19.000 -0.025 0.000 0.822 327 A HN 0.236 nan 8.150 nan 0.000 0.444 328 V N -1.354 118.642 119.914 0.138 0.000 2.287 328 V HA -0.289 3.836 4.120 0.007 0.000 0.248 328 V C 2.405 178.638 176.094 0.232 0.000 1.053 328 V CA 2.264 64.694 62.300 0.217 0.000 1.027 328 V CB -1.012 31.024 31.823 0.355 0.000 0.646 328 V HN 0.713 nan 8.190 nan 0.000 0.447 329 Y N 1.227 121.607 120.300 0.134 0.000 2.242 329 Y HA -0.190 4.364 4.550 0.007 0.000 0.291 329 Y C 2.603 178.492 175.900 -0.018 0.000 1.137 329 Y CA 1.677 59.843 58.100 0.110 0.000 1.181 329 Y CB -0.420 38.067 38.460 0.046 0.000 0.989 329 Y HN 0.100 nan 8.280 nan 0.000 0.527 330 R N -0.458 119.948 120.500 -0.156 0.000 2.083 330 R HA -0.152 4.192 4.340 0.007 0.000 0.237 330 R C 2.269 178.380 176.300 -0.315 0.000 1.137 330 R CA 1.935 57.846 56.100 -0.315 0.000 0.951 330 R CB -0.868 29.279 30.300 -0.256 0.000 0.851 330 R HN 0.267 nan 8.270 nan 0.000 0.434 331 V N 0.945 120.718 119.914 -0.234 0.000 2.568 331 V HA -0.239 3.885 4.120 0.007 0.000 0.253 331 V C 2.091 177.987 176.094 -0.329 0.000 1.072 331 V CA 1.628 63.767 62.300 -0.269 0.000 1.084 331 V CB -0.499 31.255 31.823 -0.114 0.000 0.676 331 V HN 0.306 nan 8.190 nan 0.000 0.469 332 L N -0.525 120.548 121.223 -0.250 0.000 2.240 332 L HA -0.132 4.212 4.340 0.007 0.000 0.211 332 L C 2.646 179.363 176.870 -0.255 0.000 1.106 332 L CA 1.213 55.917 54.840 -0.226 0.000 0.793 332 L CB -0.413 41.552 42.059 -0.157 0.000 0.927 332 L HN 0.404 nan 8.230 nan 0.000 0.446 333 Q N -0.267 119.303 119.800 -0.384 0.000 2.212 333 Q HA -0.065 4.279 4.340 0.007 0.000 0.199 333 Q C 2.262 178.138 176.000 -0.207 0.000 0.950 333 Q CA 0.972 56.577 55.803 -0.331 0.000 0.863 333 Q CB 0.093 28.547 28.738 -0.473 0.000 0.944 333 Q HN 0.509 nan 8.270 nan 0.000 0.465 334 I N 1.375 121.815 120.570 -0.216 0.000 2.252 334 I HA -0.249 3.926 4.170 0.007 0.000 0.245 334 I C 1.973 178.026 176.117 -0.107 0.000 1.102 334 I CA 1.364 62.593 61.300 -0.119 0.000 1.385 334 I CB -0.085 37.870 38.000 -0.075 0.000 1.064 334 I HN 0.154 nan 8.210 nan 0.000 0.414 335 D N 0.647 120.935 120.400 -0.186 0.000 2.224 335 D HA -0.090 4.554 4.640 0.007 0.000 0.205 335 D C 2.139 178.397 176.300 -0.069 0.000 0.965 335 D CA 1.091 55.045 54.000 -0.078 0.000 0.852 335 D CB 0.153 40.923 40.800 -0.050 0.000 0.947 335 D HN 0.282 nan 8.370 nan 0.000 0.494 336 A N 0.565 123.335 122.820 -0.084 0.000 1.908 336 A HA -0.209 4.115 4.320 0.007 0.000 0.218 336 A C 2.141 179.680 177.584 -0.075 0.000 1.181 336 A CA 1.634 53.638 52.037 -0.055 0.000 0.627 336 A CB -0.536 18.440 19.000 -0.039 0.000 0.818 336 A HN 0.219 nan 8.150 nan 0.000 0.445 337 K N -1.201 119.140 120.400 -0.097 0.000 2.007 337 K HA -0.080 4.244 4.320 0.007 0.000 0.206 337 K C 2.139 178.640 176.600 -0.165 0.000 1.047 337 K CA 0.842 57.057 56.287 -0.119 0.000 0.937 337 K CB -0.122 32.319 32.500 -0.100 0.000 0.718 337 K HN 0.219 nan 8.250 nan 0.000 0.438 338 R N 0.625 120.979 120.500 -0.244 0.000 2.161 338 R HA 0.021 4.365 4.340 0.007 0.000 0.213 338 R C 0.230 176.213 176.300 -0.528 0.000 1.055 338 R CA 0.449 56.236 56.100 -0.523 0.000 0.996 338 R CB -0.119 29.562 30.300 -1.032 0.000 0.901 338 R HN 0.387 nan 8.270 nan 0.000 0.456 339 Q N -0.299 119.336 119.800 -0.276 0.000 2.468 339 Q HA -0.186 4.158 4.340 0.007 0.000 0.289 339 Q C 0.219 176.244 176.000 0.042 0.000 1.299 339 Q CA 0.777 56.522 55.803 -0.098 0.000 0.838 339 Q CB -2.266 26.424 28.738 -0.080 0.000 1.195 339 Q HN 0.236 nan 8.270 nan 0.000 0.456 340 F N -0.583 119.438 119.950 0.119 0.000 2.335 340 F HA 0.086 4.617 4.527 0.008 0.000 0.296 340 F C 2.296 178.091 175.800 -0.008 0.000 1.091 340 F CA 0.076 58.085 58.000 0.015 0.000 1.399 340 F CB -0.283 38.769 39.000 0.087 0.000 1.067 340 F HN 0.151 nan 8.300 nan 0.000 0.520 341 I N 0.077 120.823 120.570 0.293 0.000 2.163 341 I HA -0.300 3.874 4.170 0.007 0.000 0.240 341 I C 2.432 178.597 176.117 0.080 0.000 1.081 341 I CA 1.276 62.689 61.300 0.188 0.000 1.353 341 I CB -0.515 37.632 38.000 0.244 0.000 1.054 341 I HN 0.074 nan 8.210 nan 0.000 0.407 342 N N 1.494 120.234 118.700 0.067 0.000 2.036 342 N HA -0.272 4.473 4.740 0.007 0.000 0.199 342 N C 1.935 177.433 175.510 -0.020 0.000 1.036 342 N CA 1.874 54.938 53.050 0.023 0.000 0.870 342 N CB -0.539 37.934 38.487 -0.023 0.000 1.055 342 N HN 0.290 nan 8.380 nan 0.000 0.436 343 L N 0.048 121.223 121.223 -0.080 0.000 1.978 343 L HA -0.270 4.074 4.340 0.007 0.000 0.218 343 L C 2.133 178.850 176.870 -0.256 0.000 1.075 343 L CA 2.033 56.745 54.840 -0.213 0.000 0.767 343 L CB -0.847 40.998 42.059 -0.357 0.000 0.890 343 L HN 0.271 nan 8.230 nan 0.000 0.434 344 S N -0.031 115.519 115.700 -0.250 0.000 2.365 344 S HA -0.233 4.241 4.470 0.007 0.000 0.225 344 S C 1.853 176.308 174.600 -0.240 0.000 1.039 344 S CA 1.726 59.782 58.200 -0.239 0.000 1.033 344 S CB -0.400 62.711 63.200 -0.149 0.000 0.887 344 S HN 0.379 nan 8.310 nan 0.000 0.447 345 L N 0.985 122.089 121.223 -0.198 0.000 2.046 345 L HA -0.172 4.173 4.340 0.007 0.000 0.208 345 L C 2.202 178.885 176.870 -0.311 0.000 1.077 345 L CA 1.272 55.908 54.840 -0.341 0.000 0.747 345 L CB -0.870 41.090 42.059 -0.163 0.000 0.896 345 L HN 0.190 nan 8.230 nan 0.000 0.432 346 D N 0.155 120.507 120.400 -0.079 0.000 2.108 346 D HA -0.236 4.409 4.640 0.007 0.000 0.190 346 D C 2.316 178.595 176.300 -0.036 0.000 0.995 346 D CA 1.677 55.686 54.000 0.016 0.000 0.834 346 D CB -0.210 40.587 40.800 -0.005 0.000 0.967 346 D HN 0.208 nan 8.370 nan 0.000 0.446 347 M N 0.115 119.635 119.600 -0.133 0.000 2.080 347 M HA -0.074 4.410 4.480 0.007 0.000 0.260 347 M C 2.405 178.657 176.300 -0.080 0.000 1.068 347 M CA 1.800 57.023 55.300 -0.129 0.000 1.109 347 M CB -0.736 31.743 32.600 -0.202 0.000 1.342 347 M HN 0.115 nan 8.290 nan 0.000 0.405 348 G N -0.198 108.486 108.800 -0.193 0.000 2.553 348 G HA2 -0.258 3.706 3.960 0.007 0.000 0.218 348 G HA3 -0.258 3.706 3.960 0.007 0.000 0.218 348 G C 1.082 175.881 174.900 -0.167 0.000 1.195 348 G CA 1.175 46.125 45.100 -0.250 0.000 0.779 348 G HN 0.375 nan 8.290 nan 0.000 0.577 349 Y N -0.995 119.220 120.300 -0.142 0.000 2.439 349 Y HA 0.088 4.642 4.550 0.007 0.000 0.292 349 Y C 2.313 178.207 175.900 -0.010 0.000 1.130 349 Y CA 0.043 58.055 58.100 -0.147 0.000 1.254 349 Y CB -0.669 37.531 38.460 -0.433 0.000 1.000 349 Y HN 0.369 nan 8.280 nan 0.000 0.554 350 Y N 0.045 120.370 120.300 0.040 0.000 2.220 350 Y HA -0.082 4.473 4.550 0.008 0.000 0.291 350 Y C 2.346 178.248 175.900 0.004 0.000 1.129 350 Y CA 1.430 59.543 58.100 0.022 0.000 1.161 350 Y CB -0.264 38.183 38.460 -0.022 0.000 0.997 350 Y HN -0.007 nan 8.280 nan 0.000 0.522 351 A N -0.166 122.736 122.820 0.137 0.000 2.132 351 A HA 0.089 4.413 4.320 0.007 0.000 0.213 351 A C 0.789 178.404 177.584 0.052 0.000 1.154 351 A CA 0.517 52.586 52.037 0.054 0.000 0.753 351 A CB -0.342 18.671 19.000 0.022 0.000 0.826 351 A HN 0.410 nan 8.150 nan 0.000 0.469 352 K N -0.583 119.880 120.400 0.106 0.000 3.585 352 K HA -0.167 4.157 4.320 0.007 0.000 0.275 352 K C -0.547 176.107 176.600 0.091 0.000 1.026 352 K CA 0.938 57.323 56.287 0.163 0.000 0.800 352 K CB -2.120 30.433 32.500 0.088 0.000 1.401 352 K HN 0.789 nan 8.250 nan 0.000 0.453 353 I N -3.353 117.278 120.570 0.102 0.000 3.206 353 I HA 0.310 4.485 4.170 0.007 0.000 0.313 353 I C 0.057 176.210 176.117 0.060 0.000 1.103 353 I CA -1.569 59.758 61.300 0.044 0.000 0.985 353 I CB 1.254 39.274 38.000 0.034 0.000 1.240 353 I HN -0.020 nan 8.210 nan 0.000 0.464 354 Q N 1.545 121.366 119.800 0.034 0.000 2.300 354 Q HA 0.172 4.516 4.340 0.007 0.000 0.280 354 Q C 0.819 176.825 176.000 0.010 0.000 1.033 354 Q CA -0.417 55.422 55.803 0.059 0.000 0.903 354 Q CB 1.014 29.773 28.738 0.035 0.000 1.195 354 Q HN 0.491 nan 8.270 nan 0.000 0.386 355 I N 2.488 123.045 120.570 -0.023 0.000 2.185 355 I HA -0.350 3.824 4.170 0.007 0.000 0.246 355 I C 2.388 178.451 176.117 -0.090 0.000 1.088 355 I CA 1.699 62.926 61.300 -0.121 0.000 1.347 355 I CB -1.332 36.578 38.000 -0.150 0.000 1.041 355 I HN 0.792 nan 8.210 nan 0.000 0.415 356 Q N -0.013 119.781 119.800 -0.010 0.000 2.488 356 Q HA -0.054 4.291 4.340 0.007 0.000 0.211 356 Q C 1.582 177.627 176.000 0.075 0.000 0.967 356 Q CA 0.977 56.818 55.803 0.062 0.000 0.926 356 Q CB -0.577 28.241 28.738 0.133 0.000 0.992 356 Q HN 0.324 nan 8.270 nan 0.000 0.506 357 S N 1.082 116.785 115.700 0.006 0.000 2.631 357 S HA 0.033 4.507 4.470 0.007 0.000 0.217 357 S C 1.680 176.258 174.600 -0.035 0.000 0.958 357 S CA 0.494 58.703 58.200 0.015 0.000 0.920 357 S CB 0.019 63.227 63.200 0.014 0.000 0.776 357 S HN 0.483 nan 8.310 nan 0.000 0.517 358 V N -1.373 118.457 119.914 -0.141 0.000 2.759 358 V HA -0.059 4.066 4.120 0.007 0.000 0.256 358 V C 1.623 177.607 176.094 -0.185 0.000 1.080 358 V CA 1.416 63.608 62.300 -0.180 0.000 1.101 358 V CB -1.224 30.471 31.823 -0.214 0.000 0.698 358 V HN 0.383 nan 8.190 nan 0.000 0.477 359 F N 1.668 121.602 119.950 -0.027 0.000 2.234 359 F HA 0.110 4.641 4.527 0.007 0.000 0.299 359 F C 1.943 177.692 175.800 -0.085 0.000 1.087 359 F CA 1.390 59.323 58.000 -0.111 0.000 1.340 359 F CB -0.499 38.413 39.000 -0.146 0.000 1.031 359 F HN 0.278 nan 8.300 nan 0.000 0.500 360 S N 2.283 118.049 115.700 0.111 0.000 2.423 360 S HA 0.239 4.714 4.470 0.007 0.000 0.317 360 S C -1.493 173.148 174.600 0.068 0.000 1.065 360 S CA -1.671 56.572 58.200 0.073 0.000 1.111 360 S CB 0.790 64.026 63.200 0.060 0.000 0.968 360 S HN -0.127 nan 8.310 nan 0.000 0.474 361 P HA 0.004 nan 4.420 nan 0.000 0.226 361 P C 1.353 178.775 177.300 0.203 0.000 1.153 361 P CA 0.568 63.739 63.100 0.118 0.000 0.777 361 P CB 0.120 31.919 31.700 0.166 0.000 0.794 362 I N -0.330 120.339 120.570 0.165 0.000 2.233 362 I HA -0.173 4.001 4.170 0.007 0.000 0.243 362 I C 2.629 178.939 176.117 0.323 0.000 1.093 362 I CA 1.237 62.678 61.300 0.236 0.000 1.380 362 I CB -0.402 37.741 38.000 0.239 0.000 1.067 362 I HN -0.128 nan 8.210 nan 0.000 0.413 363 K N 0.569 121.091 120.400 0.203 0.000 2.009 363 K HA -0.158 4.167 4.320 0.007 0.000 0.210 363 K C 2.117 178.815 176.600 0.164 0.000 1.049 363 K CA 2.108 58.495 56.287 0.168 0.000 0.929 363 K CB -0.658 31.896 32.500 0.090 0.000 0.714 363 K HN 0.303 nan 8.250 nan 0.000 0.440 364 T N 0.043 114.642 114.554 0.074 0.000 2.624 364 T HA -0.213 4.142 4.350 0.007 0.000 0.268 364 T C 1.793 176.477 174.700 -0.028 0.000 1.041 364 T CA 1.991 64.056 62.100 -0.060 0.000 1.159 364 T CB -0.483 68.246 68.868 -0.232 0.000 0.863 364 T HN 0.423 nan 8.240 nan 0.000 0.434 365 W N 1.023 122.447 121.300 0.206 0.000 2.418 365 W HA 0.014 4.678 4.660 0.007 0.000 0.292 365 W C 2.416 179.163 176.519 0.380 0.000 1.213 365 W CA 0.328 57.837 57.345 0.272 0.000 1.283 365 W CB -0.326 29.276 29.460 0.238 0.000 1.119 365 W HN 0.237 nan 8.180 nan 0.000 0.542 366 D N 0.181 120.971 120.400 0.649 0.000 2.116 366 D HA -0.215 4.429 4.640 0.007 0.000 0.193 366 D C 2.181 178.742 176.300 0.435 0.000 0.998 366 D CA 2.142 56.458 54.000 0.527 0.000 0.836 366 D CB -0.402 40.625 40.800 0.377 0.000 0.951 366 D HN 0.024 nan 8.370 nan 0.000 0.449 367 A N -0.111 122.916 122.820 0.345 0.000 1.898 367 A HA -0.061 4.264 4.320 0.007 0.000 0.216 367 A C 2.482 180.226 177.584 0.265 0.000 1.181 367 A CA 0.964 53.203 52.037 0.337 0.000 0.620 367 A CB -0.683 18.452 19.000 0.224 0.000 0.819 367 A HN 0.335 nan 8.150 nan 0.000 0.442 368 I N -0.466 120.237 120.570 0.221 0.000 2.179 368 I HA -0.269 3.905 4.170 0.007 0.000 0.242 368 I C 2.284 178.537 176.117 0.225 0.000 1.088 368 I CA 1.436 62.842 61.300 0.178 0.000 1.357 368 I CB -0.266 37.845 38.000 0.186 0.000 1.051 368 I HN 0.292 nan 8.210 nan 0.000 0.409 369 I N -0.128 120.646 120.570 0.340 0.000 2.286 369 I HA -0.293 3.882 4.170 0.007 0.000 0.245 369 I C 2.417 178.678 176.117 0.240 0.000 1.104 369 I CA 1.174 62.628 61.300 0.258 0.000 1.397 369 I CB -0.323 37.813 38.000 0.227 0.000 1.072 369 I HN 0.193 nan 8.210 nan 0.000 0.417 370 F N 2.174 122.231 119.950 0.178 0.000 2.051 370 F HA -0.235 4.296 4.527 0.007 0.000 0.296 370 F C 2.334 178.194 175.800 0.100 0.000 1.122 370 F CA 1.694 59.779 58.000 0.140 0.000 1.201 370 F CB -0.867 38.219 39.000 0.143 0.000 0.978 370 F HN 0.049 nan 8.300 nan 0.000 0.472 371 N N 0.384 118.793 118.700 -0.483 0.000 2.061 371 N HA -0.258 4.486 4.740 0.007 0.000 0.193 371 N C 2.243 177.596 175.510 -0.261 0.000 1.030 371 N CA 1.898 54.631 53.050 -0.529 0.000 0.856 371 N CB -0.901 37.414 38.487 -0.288 0.000 1.023 371 N HN 0.483 nan 8.380 nan 0.000 0.424 372 S N 0.614 116.250 115.700 -0.106 0.000 2.368 372 S HA -0.077 4.398 4.470 0.007 0.000 0.225 372 S C 1.937 176.515 174.600 -0.037 0.000 1.030 372 S CA 0.568 58.741 58.200 -0.044 0.000 0.999 372 S CB -0.151 63.061 63.200 0.020 0.000 0.844 372 S HN 0.104 nan 8.310 nan 0.000 0.459 373 L N 2.022 123.235 121.223 -0.016 0.000 2.093 373 L HA 0.133 4.477 4.340 0.007 0.000 0.208 373 L C 2.478 179.355 176.870 0.011 0.000 1.085 373 L CA 1.762 56.616 54.840 0.023 0.000 0.755 373 L CB -0.982 41.139 42.059 0.102 0.000 0.904 373 L HN 0.351 nan 8.230 nan 0.000 0.435 374 K N 0.079 120.439 120.400 -0.066 0.000 2.097 374 K HA -0.218 4.106 4.320 0.007 0.000 0.206 374 K C 1.743 178.339 176.600 -0.007 0.000 1.049 374 K CA 1.643 57.906 56.287 -0.040 0.000 0.933 374 K CB 0.123 32.491 32.500 -0.221 0.000 0.717 374 K HN 0.508 nan 8.250 nan 0.000 0.442 375 E N 0.158 120.333 120.200 -0.042 0.000 2.338 375 E HA -0.174 4.180 4.350 0.007 0.000 0.197 375 E C 0.902 177.506 176.600 0.005 0.000 1.007 375 E CA 1.045 57.436 56.400 -0.015 0.000 0.849 375 E CB -0.066 29.619 29.700 -0.025 0.000 0.774 375 E HN 0.405 nan 8.360 nan 0.000 0.506 376 Q N 0.665 120.472 119.800 0.012 0.000 2.204 376 Q HA 0.228 4.572 4.340 0.007 0.000 0.209 376 Q C -0.436 175.591 176.000 0.045 0.000 0.861 376 Q CA -0.207 55.607 55.803 0.019 0.000 0.971 376 Q CB -0.026 28.719 28.738 0.011 0.000 1.095 376 Q HN 0.239 nan 8.270 nan 0.000 0.486 377 N N 1.928 120.665 118.700 0.062 0.000 2.738 377 N HA -0.151 4.594 4.740 0.007 0.000 0.249 377 N C -1.085 174.520 175.510 0.159 0.000 1.047 377 N CA 0.846 53.956 53.050 0.099 0.000 0.707 377 N CB -0.409 38.086 38.487 0.014 0.000 0.937 377 N HN 0.316 nan 8.380 nan 0.000 0.545 378 K N 0.439 120.917 120.400 0.130 0.000 2.259 378 K HA 0.567 4.891 4.320 0.007 0.000 0.249 378 K C -0.018 176.611 176.600 0.047 0.000 0.942 378 K CA -0.699 55.660 56.287 0.119 0.000 0.816 378 K CB 2.419 34.970 32.500 0.085 0.000 1.155 378 K HN -0.147 nan 8.250 nan 0.000 0.428 379 V N 3.762 123.666 119.914 -0.017 0.000 2.427 379 V HA 0.347 4.472 4.120 0.007 0.000 0.286 379 V C 0.434 176.501 176.094 -0.044 0.000 1.034 379 V CA -1.010 61.166 62.300 -0.207 0.000 0.893 379 V CB 1.011 32.592 31.823 -0.403 0.000 0.982 379 V HN 0.685 nan 8.190 nan 0.000 0.452 380 I N 3.141 123.701 120.570 -0.017 0.000 2.581 380 I HA 0.569 4.743 4.170 0.007 0.000 0.288 380 I C -2.386 173.750 176.117 0.032 0.000 1.047 380 I CA -2.145 59.203 61.300 0.080 0.000 1.374 380 I CB 1.097 39.180 38.000 0.139 0.000 1.423 380 I HN 0.357 nan 8.210 nan 0.000 0.549 381 P HA 0.084 nan 4.420 nan 0.000 0.273 381 P C -1.204 176.072 177.300 -0.039 0.000 1.250 381 P CA -0.327 62.797 63.100 0.040 0.000 0.793 381 P CB 0.430 32.160 31.700 0.049 0.000 1.011 382 Q N 0.268 120.061 119.800 -0.012 0.000 2.293 382 Q HA 0.384 4.729 4.340 0.007 0.000 0.251 382 Q C 0.239 176.199 176.000 -0.067 0.000 0.930 382 Q CA -0.610 55.172 55.803 -0.035 0.000 0.893 382 Q CB 0.303 29.032 28.738 -0.015 0.000 1.215 382 Q HN 0.610 nan 8.270 nan 0.000 0.425 383 G N 3.975 112.728 108.800 -0.077 0.000 2.299 383 G HA2 0.111 4.076 3.960 0.007 0.000 0.256 383 G HA3 0.111 4.076 3.960 0.007 0.000 0.256 383 G C -0.517 174.357 174.900 -0.043 0.000 1.259 383 G CA -0.368 44.700 45.100 -0.055 0.000 0.943 383 G HN 0.451 nan 8.290 nan 0.000 0.479 384 R N 1.088 121.556 120.500 -0.053 0.000 2.778 384 R HA 0.520 4.864 4.340 0.007 0.000 0.277 384 R C 0.364 176.397 176.300 -0.444 0.000 0.977 384 R CA -0.836 55.151 56.100 -0.189 0.000 0.950 384 R CB 1.618 31.819 30.300 -0.166 0.000 1.165 384 R HN 0.654 nan 8.270 nan 0.000 0.474 385 S N 0.855 116.254 115.700 -0.502 0.000 2.601 385 S HA 0.491 4.965 4.470 0.007 0.000 0.271 385 S C -0.609 173.449 174.600 -0.903 0.000 1.305 385 S CA -0.306 57.553 58.200 -0.569 0.000 1.022 385 S CB 0.657 63.673 63.200 -0.307 0.000 0.940 385 S HN 0.633 nan 8.310 nan 0.000 0.525 386 H N 0.566 119.421 119.070 -0.359 0.000 2.996 386 H HA 0.539 5.100 4.556 0.007 0.000 0.368 386 H C -2.591 172.543 175.328 -0.324 0.000 1.185 386 H CA -1.359 54.509 56.048 -0.300 0.000 1.160 386 H CB 1.320 30.854 29.762 -0.380 0.000 1.820 386 H HN 0.603 nan 8.280 nan 0.000 0.547 387 P HA 0.092 nan 4.420 nan 0.000 0.274 387 P C -0.272 176.979 177.300 -0.083 0.000 1.231 387 P CA -0.459 62.596 63.100 -0.075 0.000 0.790 387 P CB 1.045 32.735 31.700 -0.018 0.000 0.951 388 V N 2.650 122.512 119.914 -0.086 0.000 2.811 388 V HA 0.126 4.250 4.120 0.007 0.000 0.302 388 V C 0.622 176.734 176.094 0.031 0.000 1.063 388 V CA 0.291 62.565 62.300 -0.044 0.000 1.088 388 V CB -0.181 31.622 31.823 -0.033 0.000 0.982 388 V HN 0.584 nan 8.190 nan 0.000 0.485 389 Q N 2.564 122.417 119.800 0.089 0.000 2.352 389 Q HA 0.404 4.748 4.340 0.007 0.000 0.270 389 Q C -2.737 173.359 176.000 0.159 0.000 1.006 389 Q CA -1.532 54.339 55.803 0.112 0.000 0.880 389 Q CB 2.490 31.301 28.738 0.121 0.000 1.392 389 Q HN 0.585 nan 8.270 nan 0.000 0.401 390 P HA 0.125 nan 4.420 nan 0.000 0.272 390 P C -1.573 175.836 177.300 0.181 0.000 1.223 390 P CA 0.074 63.227 63.100 0.088 0.000 0.784 390 P CB 0.213 31.939 31.700 0.044 0.000 0.923 391 Y N -0.645 119.685 120.300 0.050 0.000 2.571 391 Y HA 0.686 5.240 4.550 0.007 0.000 0.341 391 Y C -2.881 173.058 175.900 0.065 0.000 1.076 391 Y CA -2.731 55.397 58.100 0.046 0.000 1.029 391 Y CB -0.100 38.380 38.460 0.033 0.000 1.308 391 Y HN 0.246 nan 8.280 nan 0.000 0.461 392 P HA 0.492 nan 4.420 nan 0.000 0.274 392 P C -0.305 177.045 177.300 0.083 0.000 1.231 392 P CA 0.048 63.192 63.100 0.074 0.000 0.790 392 P CB 1.830 33.598 31.700 0.114 0.000 0.951 393 G N -0.075 108.762 108.800 0.061 0.000 3.247 393 G HA2 0.600 4.565 3.960 0.007 0.000 0.163 393 G HA3 0.600 4.565 3.960 0.007 0.000 0.163 393 G C -0.528 174.479 174.900 0.178 0.000 1.206 393 G CA -0.182 44.993 45.100 0.125 0.000 0.918 393 G HN 0.738 nan 8.290 nan 0.000 0.625 394 A N -0.926 122.010 122.820 0.193 0.000 2.280 394 A HA 0.607 4.932 4.320 0.007 0.000 0.268 394 A C -0.979 176.735 177.584 0.216 0.000 1.111 394 A CA -0.325 51.845 52.037 0.221 0.000 0.814 394 A CB 0.396 19.503 19.000 0.178 0.000 1.093 394 A HN 0.867 nan 8.150 nan 0.000 0.498 395 F N 0.887 120.882 119.950 0.076 0.000 2.427 395 F HA 0.581 5.112 4.527 0.007 0.000 0.346 395 F C -0.680 175.135 175.800 0.024 0.000 1.120 395 F CA -0.702 57.328 58.000 0.051 0.000 1.033 395 F CB 1.390 40.417 39.000 0.045 0.000 1.126 395 F HN 0.265 nan 8.300 nan 0.000 0.462 396 V N 6.366 125.777 119.914 -0.838 0.000 2.495 396 V HA 0.340 4.465 4.120 0.007 0.000 0.298 396 V C -0.267 175.185 176.094 -1.071 0.000 1.031 396 V CA -1.213 60.630 62.300 -0.761 0.000 0.871 396 V CB 1.538 33.194 31.823 -0.279 0.000 0.988 396 V HN 0.762 nan 8.190 nan 0.000 0.432 397 K N 2.486 122.370 120.400 -0.859 0.000 2.218 397 K HA 0.290 4.614 4.320 0.007 0.000 0.276 397 K C -0.118 176.438 176.600 -0.073 0.000 1.022 397 K CA -0.422 55.611 56.287 -0.424 0.000 0.946 397 K CB 0.914 33.279 32.500 -0.226 0.000 1.000 397 K HN 0.764 nan 8.250 nan 0.000 0.468 398 E N 5.499 125.713 120.200 0.024 0.000 2.129 398 E HA 0.168 4.523 4.350 0.007 0.000 0.283 398 E C -2.253 174.408 176.600 0.103 0.000 1.080 398 E CA -1.984 54.473 56.400 0.095 0.000 0.867 398 E CB 0.683 30.432 29.700 0.082 0.000 1.056 398 E HN 0.285 nan 8.360 nan 0.000 0.404 399 P HA 0.234 nan 4.420 nan 0.000 0.286 399 P C -0.561 176.767 177.300 0.048 0.000 1.261 399 P CA -0.470 62.632 63.100 0.003 0.000 0.821 399 P CB 0.898 32.464 31.700 -0.223 0.000 1.013 400 I N 4.067 124.672 120.570 0.059 0.000 2.505 400 I HA 0.090 4.264 4.170 0.007 0.000 0.287 400 I C -1.850 174.391 176.117 0.208 0.000 1.104 400 I CA -1.680 59.693 61.300 0.121 0.000 1.387 400 I CB -0.281 37.790 38.000 0.118 0.000 1.404 400 I HN 0.138 nan 8.210 nan 0.000 0.528 401 P HA 0.079 nan 4.420 nan 0.000 0.264 401 P C -0.681 176.737 177.300 0.197 0.000 1.236 401 P CA 0.284 63.526 63.100 0.236 0.000 0.811 401 P CB 0.185 31.986 31.700 0.168 0.000 0.840 402 N N 1.172 120.036 118.700 0.273 0.000 3.039 402 N HA 0.332 5.077 4.740 0.007 0.000 0.257 402 N C -0.793 174.732 175.510 0.025 0.000 1.497 402 N CA -1.108 51.941 53.050 -0.003 0.000 0.861 402 N CB 1.583 39.859 38.487 -0.352 0.000 1.479 402 N HN 0.148 nan 8.380 nan 0.000 0.547 403 R N 0.354 120.768 120.500 -0.144 0.000 2.582 403 R HA 0.335 4.679 4.340 0.007 0.000 0.271 403 R C -1.452 174.635 176.300 -0.355 0.000 1.078 403 R CA 0.028 56.106 56.100 -0.037 0.000 1.127 403 R CB 0.394 30.676 30.300 -0.031 0.000 1.038 403 R HN 0.420 nan 8.270 nan 0.000 0.500 404 Y N 0.391 120.816 120.300 0.209 0.000 2.386 404 Y HA 0.250 4.804 4.550 0.007 0.000 0.334 404 Y C 0.715 176.676 175.900 0.102 0.000 1.002 404 Y CA -0.938 57.263 58.100 0.167 0.000 1.068 404 Y CB 2.329 40.925 38.460 0.226 0.000 1.203 404 Y HN 0.710 nan 8.280 nan 0.000 0.443 405 K N 1.943 122.415 120.400 0.119 0.000 2.044 405 K HA 0.116 4.440 4.320 0.007 0.000 0.204 405 K C -0.745 175.642 176.600 -0.355 0.000 1.045 405 K CA 0.983 57.172 56.287 -0.164 0.000 0.951 405 K CB 0.234 32.582 32.500 -0.253 0.000 0.738 405 K HN 0.614 nan 8.250 nan 0.000 0.443 406 Y N 0.538 120.910 120.300 0.119 0.000 2.328 406 Y HA 0.377 4.931 4.550 0.007 0.000 0.333 406 Y C -0.941 175.086 175.900 0.210 0.000 0.958 406 Y CA -0.991 57.168 58.100 0.098 0.000 1.167 406 Y CB 1.959 40.406 38.460 -0.021 0.000 1.151 406 Y HN -0.283 nan 8.280 nan 0.000 0.470 407 V N 5.331 125.476 119.914 0.386 0.000 2.588 407 V HA 0.490 4.615 4.120 0.007 0.000 0.304 407 V C -0.550 175.757 176.094 0.355 0.000 1.042 407 V CA -0.925 61.598 62.300 0.372 0.000 0.877 407 V CB 1.937 34.011 31.823 0.418 0.000 0.996 407 V HN 0.820 nan 8.190 nan 0.000 0.425 408 M N 4.840 124.627 119.600 0.312 0.000 2.326 408 M HA 0.705 5.189 4.480 0.007 0.000 0.306 408 M C -0.288 176.113 176.300 0.170 0.000 1.054 408 M CA -0.053 55.379 55.300 0.221 0.000 0.922 408 M CB 1.955 34.709 32.600 0.257 0.000 1.632 408 M HN 0.809 nan 8.290 nan 0.000 0.436 409 S N 3.402 119.060 115.700 -0.070 0.000 2.648 409 S HA 0.888 5.363 4.470 0.007 0.000 0.305 409 S C -1.114 173.257 174.600 -0.381 0.000 1.094 409 S CA -0.568 57.489 58.200 -0.238 0.000 0.983 409 S CB 1.473 64.291 63.200 -0.636 0.000 1.101 409 S HN 0.610 nan 8.310 nan 0.000 0.514 410 F N 0.144 119.970 119.950 -0.206 0.000 2.608 410 F HA 0.592 5.124 4.527 0.008 0.000 0.309 410 F C -0.392 175.366 175.800 -0.069 0.000 1.103 410 F CA -0.566 57.385 58.000 -0.081 0.000 0.954 410 F CB 2.362 41.348 39.000 -0.023 0.000 1.267 410 F HN 0.745 nan 8.300 nan 0.000 0.444 411 D N 2.380 122.870 120.400 0.149 0.000 2.756 411 D HA 0.431 5.075 4.640 0.007 0.000 0.226 411 D C -1.350 175.020 176.300 0.116 0.000 1.186 411 D CA -0.364 53.698 54.000 0.103 0.000 0.845 411 D CB 2.476 43.304 40.800 0.047 0.000 1.610 411 D HN 0.445 nan 8.370 nan 0.000 0.465 412 L N 1.977 123.254 121.223 0.090 0.000 2.367 412 L HA 0.213 4.557 4.340 0.007 0.000 0.275 412 L C 0.789 177.675 176.870 0.028 0.000 1.129 412 L CA -0.122 54.746 54.840 0.046 0.000 0.839 412 L CB 0.997 43.049 42.059 -0.011 0.000 1.133 412 L HN 0.302 nan 8.230 nan 0.000 0.453 413 T N 2.062 116.647 114.554 0.053 0.000 2.793 413 T HA -0.024 4.331 4.350 0.007 0.000 0.289 413 T C 0.626 175.323 174.700 -0.006 0.000 0.956 413 T CA -0.165 61.987 62.100 0.087 0.000 1.177 413 T CB 0.049 69.041 68.868 0.207 0.000 0.897 413 T HN 0.728 nan 8.240 nan 0.000 0.533 414 S N 2.216 117.931 115.700 0.025 0.000 3.254 414 S HA -0.147 4.328 4.470 0.007 0.000 0.327 414 S C 1.140 175.662 174.600 -0.130 0.000 0.892 414 S CA -0.162 58.018 58.200 -0.033 0.000 1.357 414 S CB -1.002 62.205 63.200 0.012 0.000 1.022 414 S HN 0.671 nan 8.310 nan 0.000 0.524 415 L N 3.519 124.679 121.223 -0.105 0.000 1.943 415 L HA -0.087 4.257 4.340 0.007 0.000 0.215 415 L C 1.967 178.836 176.870 -0.001 0.000 1.074 415 L CA 2.056 56.852 54.840 -0.074 0.000 0.759 415 L CB -0.720 41.325 42.059 -0.023 0.000 0.888 415 L HN 0.652 nan 8.230 nan 0.000 0.433 416 Y N -0.088 120.085 120.300 -0.212 0.000 2.207 416 Y HA -0.094 4.460 4.550 0.008 0.000 0.287 416 Y C -0.142 175.605 175.900 -0.255 0.000 1.156 416 Y CA 0.818 58.754 58.100 -0.273 0.000 1.182 416 Y CB -2.577 35.638 38.460 -0.410 0.000 0.979 416 Y HN 0.349 nan 8.280 nan 0.000 0.521 417 P HA -0.075 nan 4.420 nan 0.000 0.217 417 P C 1.887 179.006 177.300 -0.302 0.000 1.151 417 P CA 2.066 65.066 63.100 -0.167 0.000 0.828 417 P CB 0.058 31.677 31.700 -0.134 0.000 0.788 418 S N -0.570 114.909 115.700 -0.369 0.000 2.368 418 S HA -0.126 4.349 4.470 0.007 0.000 0.225 418 S C 1.874 176.206 174.600 -0.447 0.000 1.030 418 S CA 1.077 58.993 58.200 -0.472 0.000 0.999 418 S CB -1.120 61.770 63.200 -0.515 0.000 0.844 418 S HN 0.108 nan 8.310 nan 0.000 0.459 419 I N 1.319 121.645 120.570 -0.408 0.000 2.127 419 I HA -0.212 3.963 4.170 0.007 0.000 0.241 419 I C 2.086 177.878 176.117 -0.543 0.000 1.075 419 I CA 1.302 62.268 61.300 -0.557 0.000 1.334 419 I CB -0.504 37.193 38.000 -0.503 0.000 1.040 419 I HN 0.224 nan 8.210 nan 0.000 0.405 420 I N 0.463 120.787 120.570 -0.410 0.000 2.236 420 I HA -0.363 3.811 4.170 0.007 0.000 0.249 420 I C 2.731 178.634 176.117 -0.358 0.000 1.102 420 I CA 1.663 62.743 61.300 -0.367 0.000 1.365 420 I CB -0.337 37.503 38.000 -0.266 0.000 1.051 420 I HN 0.220 nan 8.210 nan 0.000 0.420 421 R N -0.078 120.217 120.500 -0.341 0.000 2.051 421 R HA -0.145 4.200 4.340 0.007 0.000 0.225 421 R C 2.261 178.375 176.300 -0.311 0.000 1.155 421 R CA 1.233 57.159 56.100 -0.291 0.000 0.945 421 R CB -0.652 29.482 30.300 -0.277 0.000 0.840 421 R HN 0.271 nan 8.270 nan 0.000 0.432 422 Q N 0.986 120.563 119.800 -0.371 0.000 2.182 422 Q HA -0.210 4.134 4.340 0.007 0.000 0.213 422 Q C 1.638 177.436 176.000 -0.336 0.000 1.000 422 Q CA 2.340 57.929 55.803 -0.356 0.000 0.889 422 Q CB -0.023 28.451 28.738 -0.441 0.000 0.932 422 Q HN 0.214 nan 8.270 nan 0.000 0.415 423 V N -0.022 119.621 119.914 -0.452 0.000 3.174 423 V HA 0.024 4.148 4.120 0.007 0.000 0.254 423 V C 0.583 176.454 176.094 -0.371 0.000 1.120 423 V CA 0.746 62.787 62.300 -0.432 0.000 1.114 423 V CB -0.582 30.869 31.823 -0.619 0.000 0.756 423 V HN 0.707 nan 8.190 nan 0.000 0.467 424 N N -0.002 118.479 118.700 -0.364 0.000 2.816 424 N HA -0.191 4.553 4.740 0.007 0.000 0.247 424 N C -0.395 174.856 175.510 -0.433 0.000 1.100 424 N CA 0.218 53.102 53.050 -0.275 0.000 0.687 424 N CB -1.490 36.936 38.487 -0.101 0.000 1.003 424 N HN 0.527 nan 8.380 nan 0.000 0.554 425 I N 0.502 120.676 120.570 -0.659 0.000 2.436 425 I HA 0.216 4.390 4.170 0.007 0.000 0.289 425 I C 0.721 176.631 176.117 -0.345 0.000 1.083 425 I CA 0.257 61.062 61.300 -0.826 0.000 1.372 425 I CB 0.817 38.375 38.000 -0.737 0.000 1.408 425 I HN 0.304 nan 8.210 nan 0.000 0.516 426 S N 7.664 123.280 115.700 -0.141 0.000 2.567 426 S HA 0.423 4.898 4.470 0.007 0.000 0.270 426 S C -2.108 172.516 174.600 0.040 0.000 1.152 426 S CA -1.060 57.102 58.200 -0.065 0.000 0.835 426 S CB 1.901 65.055 63.200 -0.077 0.000 1.115 426 S HN 0.318 nan 8.310 nan 0.000 0.459 427 P HA -0.117 nan 4.420 nan 0.000 0.216 427 P C 0.678 178.027 177.300 0.081 0.000 1.150 427 P CA 1.417 64.564 63.100 0.077 0.000 0.843 427 P CB -0.056 31.702 31.700 0.098 0.000 0.787 428 E N 0.212 120.404 120.200 -0.012 0.000 2.437 428 E HA 0.035 4.390 4.350 0.007 0.000 0.195 428 E C 0.392 177.068 176.600 0.126 0.000 1.029 428 E CA 0.330 56.709 56.400 -0.036 0.000 0.948 428 E CB -1.014 28.549 29.700 -0.227 0.000 1.082 428 E HN 0.249 nan 8.360 nan 0.000 0.456 429 T N -1.855 112.824 114.554 0.208 0.000 3.200 429 T HA 0.409 4.764 4.350 0.007 0.000 0.284 429 T C 0.566 175.416 174.700 0.250 0.000 1.009 429 T CA -0.466 61.858 62.100 0.373 0.000 0.907 429 T CB -0.521 68.513 68.868 0.277 0.000 1.120 429 T HN 0.041 nan 8.240 nan 0.000 0.534 430 I N 2.059 122.673 120.570 0.073 0.000 2.416 430 I HA 0.468 4.642 4.170 0.007 0.000 0.288 430 I C 1.305 177.105 176.117 -0.528 0.000 1.051 430 I CA -0.480 60.627 61.300 -0.322 0.000 1.375 430 I CB 1.288 39.172 38.000 -0.194 0.000 1.407 430 I HN 0.323 nan 8.210 nan 0.000 0.516 431 A N 4.768 127.017 122.820 -0.951 0.000 2.252 431 A HA 0.656 4.980 4.320 0.007 0.000 0.213 431 A C 0.921 178.058 177.584 -0.745 0.000 1.188 431 A CA 0.501 51.822 52.037 -1.195 0.000 0.863 431 A CB 0.003 17.811 19.000 -1.987 0.000 0.893 431 A HN 0.974 nan 8.150 nan 0.000 0.495 432 G N -1.429 107.041 108.800 -0.551 0.000 2.298 432 G HA2 0.353 4.318 3.960 0.007 0.000 0.309 432 G HA3 0.353 4.318 3.960 0.007 0.000 0.309 432 G C -0.106 174.616 174.900 -0.295 0.000 1.279 432 G CA 0.122 45.015 45.100 -0.345 0.000 1.042 432 G HN 1.148 nan 8.290 nan 0.000 0.480 433 T N -2.083 112.369 114.554 -0.170 0.000 2.718 433 T HA 0.976 5.330 4.350 0.007 0.000 0.267 433 T C -0.468 174.268 174.700 0.059 0.000 0.957 433 T CA 0.118 62.136 62.100 -0.135 0.000 1.025 433 T CB 2.111 70.869 68.868 -0.183 0.000 1.355 433 T HN 2.257 nan 8.240 nan 0.000 0.572 434 F N -2.278 117.627 119.950 -0.074 0.000 2.725 434 F HA 0.596 5.128 4.527 0.007 0.000 0.309 434 F C -1.432 174.366 175.800 -0.003 0.000 1.132 434 F CA -1.442 56.541 58.000 -0.029 0.000 0.957 434 F CB 1.125 40.114 39.000 -0.019 0.000 1.286 434 F HN 0.551 nan 8.300 nan 0.000 0.440 435 K N 2.654 123.175 120.400 0.201 0.000 2.383 435 K HA 0.435 4.760 4.320 0.007 0.000 0.286 435 K C -0.575 176.170 176.600 0.241 0.000 1.051 435 K CA -0.499 55.856 56.287 0.113 0.000 0.974 435 K CB 1.674 34.238 32.500 0.106 0.000 0.968 435 K HN 0.658 nan 8.250 nan 0.000 0.475 436 V N 2.763 122.730 119.914 0.088 0.000 2.465 436 V HA 0.493 4.617 4.120 0.007 0.000 0.279 436 V C -0.162 176.058 176.094 0.210 0.000 1.045 436 V CA -0.452 61.999 62.300 0.250 0.000 0.938 436 V CB 1.019 32.874 31.823 0.053 0.000 0.986 436 V HN 0.837 nan 8.190 nan 0.000 0.467 437 A N 7.568 130.502 122.820 0.191 0.000 2.322 437 A HA 0.740 5.064 4.320 0.007 0.000 0.269 437 A C -2.294 175.275 177.584 -0.025 0.000 1.094 437 A CA -1.626 50.384 52.037 -0.044 0.000 0.807 437 A CB -0.218 18.622 19.000 -0.267 0.000 1.047 437 A HN 0.853 nan 8.150 nan 0.000 0.487 438 P HA -0.125 nan 4.420 nan 0.000 0.260 438 P C 0.926 178.237 177.300 0.019 0.000 1.147 438 P CA 0.392 63.511 63.100 0.031 0.000 0.758 438 P CB 0.221 31.945 31.700 0.040 0.000 0.744 439 L N 4.753 126.009 121.223 0.056 0.000 2.129 439 L HA -0.249 4.096 4.340 0.007 0.000 0.212 439 L C 1.884 178.742 176.870 -0.021 0.000 1.087 439 L CA 1.986 56.867 54.840 0.068 0.000 0.757 439 L CB -0.752 41.263 42.059 -0.073 0.000 0.896 439 L HN 0.467 nan 8.230 nan 0.000 0.434 440 H N -1.034 118.051 119.070 0.024 0.000 2.543 440 H HA -0.109 4.452 4.556 0.007 0.000 0.286 440 H C 1.458 176.782 175.328 -0.007 0.000 1.037 440 H CA 1.211 57.257 56.048 -0.003 0.000 1.250 440 H CB -0.004 29.743 29.762 -0.025 0.000 1.373 440 H HN 0.464 nan 8.280 nan 0.000 0.580 441 D N -0.882 119.538 120.400 0.034 0.000 2.277 441 D HA -0.073 4.571 4.640 0.007 0.000 0.209 441 D C 1.298 177.607 176.300 0.015 0.000 0.970 441 D CA 0.594 54.569 54.000 -0.041 0.000 0.874 441 D CB 0.035 40.736 40.800 -0.165 0.000 0.982 441 D HN 0.390 nan 8.370 nan 0.000 0.504 442 Y N 1.383 121.797 120.300 0.191 0.000 2.200 442 Y HA -0.021 4.533 4.550 0.007 0.000 0.290 442 Y C 2.422 178.563 175.900 0.401 0.000 1.137 442 Y CA 0.337 58.623 58.100 0.310 0.000 1.163 442 Y CB -0.552 37.985 38.460 0.130 0.000 0.988 442 Y HN -0.071 nan 8.280 nan 0.000 0.518 443 I N 0.073 120.857 120.570 0.358 0.000 2.163 443 I HA -0.346 3.828 4.170 0.007 0.000 0.243 443 I C 1.623 177.811 176.117 0.118 0.000 1.085 443 I CA 1.595 63.057 61.300 0.271 0.000 1.347 443 I CB -0.351 37.700 38.000 0.086 0.000 1.044 443 I HN 0.197 nan 8.210 nan 0.000 0.408 444 N N 0.428 119.164 118.700 0.060 0.000 2.494 444 N HA 0.035 4.779 4.740 0.007 0.000 0.182 444 N C 1.073 176.518 175.510 -0.108 0.000 1.076 444 N CA 1.001 54.011 53.050 -0.067 0.000 0.908 444 N CB 0.263 38.727 38.487 -0.038 0.000 0.967 444 N HN 0.403 nan 8.380 nan 0.000 0.449 445 A N -1.534 121.313 122.820 0.044 0.000 3.250 445 A HA -0.198 4.126 4.320 0.007 0.000 0.256 445 A C 1.543 179.080 177.584 -0.078 0.000 1.231 445 A CA 1.005 53.005 52.037 -0.061 0.000 1.193 445 A CB -2.155 16.675 19.000 -0.284 0.000 1.149 445 A HN 0.082 nan 8.150 nan 0.000 0.930 446 V N -0.066 119.843 119.914 -0.008 0.000 2.379 446 V HA 0.142 4.266 4.120 0.007 0.000 0.245 446 V C 1.963 178.069 176.094 0.020 0.000 1.044 446 V CA 1.637 63.926 62.300 -0.018 0.000 1.036 446 V CB -1.025 30.779 31.823 -0.031 0.000 0.664 446 V HN 1.620 nan 8.190 nan 0.000 0.453 447 A N 0.678 123.512 122.820 0.024 0.000 2.520 447 A HA 0.060 4.385 4.320 0.007 0.000 0.235 447 A C 0.568 178.258 177.584 0.178 0.000 1.065 447 A CA -0.044 51.972 52.037 -0.035 0.000 0.764 447 A CB -0.186 18.504 19.000 -0.517 0.000 1.002 447 A HN 0.577 nan 8.150 nan 0.000 0.502 448 E N 1.029 121.300 120.200 0.120 0.000 2.502 448 E HA -0.004 4.351 4.350 0.007 0.000 0.261 448 E C 0.503 177.238 176.600 0.225 0.000 0.974 448 E CA -0.138 56.352 56.400 0.151 0.000 0.936 448 E CB 0.342 30.098 29.700 0.093 0.000 0.926 448 E HN 0.562 nan 8.360 nan 0.000 0.459 449 R N 6.082 126.723 120.500 0.234 0.000 2.473 449 R HA 0.003 4.348 4.340 0.007 0.000 0.315 449 R C -1.544 174.721 176.300 -0.058 0.000 0.972 449 R CA -0.743 55.447 56.100 0.151 0.000 1.047 449 R CB 0.559 30.962 30.300 0.173 0.000 0.932 449 R HN 0.467 nan 8.270 nan 0.000 0.411 450 P HA -0.054 nan 4.420 nan 0.000 0.219 450 P C -0.255 176.764 177.300 -0.469 0.000 1.150 450 P CA 0.752 63.511 63.100 -0.568 0.000 0.814 450 P CB 0.368 31.285 31.700 -1.304 0.000 0.787 451 S N -0.705 114.805 115.700 -0.317 0.000 2.543 451 S HA 0.349 4.824 4.470 0.007 0.000 0.274 451 S C -1.256 173.278 174.600 -0.110 0.000 1.149 451 S CA -0.450 57.651 58.200 -0.165 0.000 0.866 451 S CB 0.921 64.057 63.200 -0.108 0.000 1.111 451 S HN 0.015 nan 8.310 nan 0.000 0.457 452 D N 2.278 122.626 120.400 -0.087 0.000 2.503 452 D HA 0.176 4.821 4.640 0.007 0.000 0.218 452 D C 0.935 177.167 176.300 -0.114 0.000 1.183 452 D CA 0.180 54.135 54.000 -0.075 0.000 0.827 452 D CB 0.606 41.378 40.800 -0.046 0.000 1.034 452 D HN 0.302 nan 8.370 nan 0.000 0.510 453 V N -1.150 118.649 119.914 -0.193 0.000 3.151 453 V HA 0.372 4.496 4.120 0.007 0.000 0.241 453 V C -0.749 175.097 176.094 -0.415 0.000 1.173 453 V CA 0.553 62.630 62.300 -0.372 0.000 1.154 453 V CB -0.008 31.453 31.823 -0.603 0.000 0.898 453 V HN -0.005 nan 8.190 nan 0.000 0.473 454 Y N 0.764 121.038 120.300 -0.043 0.000 2.509 454 Y HA 0.661 5.215 4.550 0.007 0.000 0.341 454 Y C 0.519 176.389 175.900 -0.050 0.000 1.038 454 Y CA -0.766 57.303 58.100 -0.052 0.000 1.089 454 Y CB 1.656 40.051 38.460 -0.107 0.000 1.241 454 Y HN 0.032 nan 8.280 nan 0.000 0.468 455 S N 1.543 117.351 115.700 0.180 0.000 2.505 455 S HA 0.512 4.986 4.470 0.007 0.000 0.276 455 S C -0.756 173.933 174.600 0.149 0.000 1.274 455 S CA -0.294 57.970 58.200 0.106 0.000 1.053 455 S CB -0.516 62.731 63.200 0.077 0.000 0.919 455 S HN 0.677 nan 8.310 nan 0.000 0.490 456 C N 3.346 122.695 119.300 0.081 0.000 2.707 456 C HA 0.837 5.301 4.460 0.007 0.000 0.313 456 C C 0.228 175.314 174.990 0.160 0.000 1.209 456 C CA -0.828 58.262 59.018 0.120 0.000 1.635 456 C CB 1.513 29.201 27.740 -0.087 0.000 2.206 456 C HN 0.862 nan 8.230 nan 0.000 0.485 457 S N 1.478 117.327 115.700 0.248 0.000 2.513 457 S HA 0.568 5.042 4.470 0.007 0.000 0.299 457 S C -2.036 172.641 174.600 0.128 0.000 1.087 457 S CA -1.153 57.184 58.200 0.229 0.000 1.012 457 S CB 1.674 64.991 63.200 0.195 0.000 1.044 457 S HN 0.627 nan 8.310 nan 0.000 0.485 458 P HA -0.036 nan 4.420 nan 0.000 0.242 458 P C 0.531 177.766 177.300 -0.109 0.000 1.198 458 P CA 0.544 63.496 63.100 -0.247 0.000 0.756 458 P CB -0.415 31.081 31.700 -0.340 0.000 0.911 459 N N -0.302 118.346 118.700 -0.086 0.000 2.412 459 N HA -0.000 4.744 4.740 0.007 0.000 0.184 459 N C 1.329 176.655 175.510 -0.307 0.000 1.101 459 N CA 0.997 53.970 53.050 -0.128 0.000 0.881 459 N CB -0.628 37.816 38.487 -0.070 0.000 0.969 459 N HN 0.196 nan 8.380 nan 0.000 0.459 460 G N -0.392 108.056 108.800 -0.587 0.000 2.184 460 G HA2 -0.189 3.776 3.960 0.007 0.000 0.206 460 G HA3 -0.189 3.776 3.960 0.007 0.000 0.206 460 G C -0.085 174.353 174.900 -0.769 0.000 0.995 460 G CA -0.003 44.334 45.100 -1.271 0.000 0.651 460 G HN 0.183 nan 8.290 nan 0.000 0.511 461 M N 0.702 120.137 119.600 -0.275 0.000 2.250 461 M HA 0.668 5.152 4.480 0.007 0.000 0.344 461 M C 0.618 176.876 176.300 -0.069 0.000 1.150 461 M CA 0.344 55.520 55.300 -0.207 0.000 1.147 461 M CB 0.900 33.401 32.600 -0.165 0.000 1.498 461 M HN 0.210 nan 8.290 nan 0.000 0.461 462 M N 1.880 121.244 119.600 -0.393 0.000 2.464 462 M HA 0.503 4.988 4.480 0.007 0.000 0.308 462 M C -1.638 174.176 176.300 -0.809 0.000 1.127 462 M CA -0.524 54.565 55.300 -0.353 0.000 0.913 462 M CB 2.373 34.813 32.600 -0.266 0.000 1.689 462 M HN 0.469 nan 8.290 nan 0.000 0.445 463 Y N -0.212 119.943 120.300 -0.241 0.000 2.576 463 Y HA 0.513 5.067 4.550 0.008 0.000 0.346 463 Y C -0.851 174.953 175.900 -0.160 0.000 1.018 463 Y CA -0.846 57.089 58.100 -0.275 0.000 1.050 463 Y CB 1.507 39.882 38.460 -0.141 0.000 1.280 463 Y HN 0.414 nan 8.280 nan 0.000 0.474 464 Y N 1.494 121.917 120.300 0.205 0.000 2.411 464 Y HA 0.168 4.722 4.550 0.007 0.000 0.333 464 Y C 1.129 177.117 175.900 0.147 0.000 1.186 464 Y CA -0.297 57.931 58.100 0.214 0.000 1.381 464 Y CB 0.771 39.313 38.460 0.138 0.000 1.273 464 Y HN 0.530 nan 8.280 nan 0.000 0.546 465 K N 0.793 121.366 120.400 0.288 0.000 2.313 465 K HA -0.026 4.299 4.320 0.007 0.000 0.197 465 K C 1.132 177.796 176.600 0.106 0.000 1.061 465 K CA 0.665 57.038 56.287 0.144 0.000 0.980 465 K CB 0.097 32.650 32.500 0.089 0.000 0.888 465 K HN 0.763 nan 8.250 nan 0.000 0.502 466 D N 3.392 123.864 120.400 0.119 0.000 2.251 466 D HA -0.224 4.421 4.640 0.007 0.000 0.215 466 D C 0.865 177.182 176.300 0.029 0.000 1.047 466 D CA 1.104 55.135 54.000 0.052 0.000 0.920 466 D CB -0.811 40.004 40.800 0.025 0.000 1.186 466 D HN 0.122 nan 8.370 nan 0.000 0.482 467 R N 1.139 121.641 120.500 0.003 0.000 2.784 467 R HA 0.144 4.489 4.340 0.007 0.000 0.266 467 R C -0.195 176.117 176.300 0.020 0.000 1.044 467 R CA -0.140 55.949 56.100 -0.017 0.000 1.151 467 R CB 0.321 30.575 30.300 -0.078 0.000 1.037 467 R HN 0.177 nan 8.270 nan 0.000 0.478 468 D N 0.050 120.450 120.400 -0.000 0.000 2.198 468 D HA 0.369 5.013 4.640 0.007 0.000 0.247 468 D C -0.567 175.727 176.300 -0.010 0.000 1.010 468 D CA -0.318 53.681 54.000 -0.001 0.000 0.880 468 D CB 1.913 42.708 40.800 -0.008 0.000 1.209 468 D HN 0.690 nan 8.370 nan 0.000 0.451 469 G N 0.709 109.496 108.800 -0.022 0.000 2.377 469 G HA2 0.365 4.330 3.960 0.007 0.000 0.299 469 G HA3 0.365 4.330 3.960 0.007 0.000 0.299 469 G C 1.286 176.153 174.900 -0.055 0.000 1.150 469 G CA -0.537 44.540 45.100 -0.040 0.000 0.847 469 G HN 0.352 nan 8.290 nan 0.000 0.501 470 V N 2.419 122.290 119.914 -0.072 0.000 2.282 470 V HA -0.219 3.906 4.120 0.007 0.000 0.249 470 V C 2.834 178.885 176.094 -0.072 0.000 1.057 470 V CA 1.926 64.182 62.300 -0.073 0.000 1.032 470 V CB -0.900 30.846 31.823 -0.128 0.000 0.645 470 V HN 0.513 nan 8.190 nan 0.000 0.447 471 V N 0.029 119.870 119.914 -0.122 0.000 2.255 471 V HA -0.078 4.046 4.120 0.007 0.000 0.243 471 V C 0.228 176.248 176.094 -0.122 0.000 1.038 471 V CA 2.165 64.376 62.300 -0.148 0.000 1.008 471 V CB -1.841 29.864 31.823 -0.196 0.000 0.645 471 V HN 0.484 nan 8.190 nan 0.000 0.449 472 P HA -0.181 nan 4.420 nan 0.000 0.216 472 P C 1.816 179.089 177.300 -0.045 0.000 1.157 472 P CA 2.128 65.161 63.100 -0.111 0.000 0.880 472 P CB -0.276 31.352 31.700 -0.120 0.000 0.791 473 T N -0.027 114.515 114.554 -0.020 0.000 2.555 473 T HA -0.186 4.168 4.350 0.007 0.000 0.264 473 T C 1.609 176.359 174.700 0.084 0.000 1.083 473 T CA 1.548 63.664 62.100 0.027 0.000 1.179 473 T CB -0.884 67.998 68.868 0.024 0.000 0.863 473 T HN 0.174 nan 8.240 nan 0.000 0.412 474 E N 0.565 120.833 120.200 0.113 0.000 2.153 474 E HA 0.012 4.366 4.350 0.007 0.000 0.194 474 E C 2.159 178.952 176.600 0.321 0.000 0.988 474 E CA 0.502 57.056 56.400 0.256 0.000 0.811 474 E CB -0.508 29.409 29.700 0.363 0.000 0.746 474 E HN 0.489 nan 8.360 nan 0.000 0.466 475 I N 0.947 121.605 120.570 0.145 0.000 2.394 475 I HA -0.224 3.950 4.170 0.007 0.000 0.251 475 I C 1.731 177.960 176.117 0.187 0.000 1.136 475 I CA 1.077 62.456 61.300 0.131 0.000 1.425 475 I CB 0.068 38.016 38.000 -0.086 0.000 1.079 475 I HN 0.043 nan 8.210 nan 0.000 0.425 476 T N 0.524 115.163 114.554 0.141 0.000 2.821 476 T HA -0.161 4.194 4.350 0.007 0.000 0.267 476 T C 1.866 176.708 174.700 0.238 0.000 1.046 476 T CA 1.113 63.322 62.100 0.181 0.000 1.139 476 T CB -0.103 68.829 68.868 0.108 0.000 0.871 476 T HN 0.327 nan 8.240 nan 0.000 0.454 477 K N 0.660 121.188 120.400 0.213 0.000 2.026 477 K HA -0.057 4.267 4.320 0.007 0.000 0.208 477 K C 2.336 179.029 176.600 0.154 0.000 1.048 477 K CA 1.164 57.571 56.287 0.200 0.000 0.929 477 K CB -0.462 32.200 32.500 0.269 0.000 0.713 477 K HN 0.176 nan 8.250 nan 0.000 0.439 478 V N 1.177 121.197 119.914 0.176 0.000 2.548 478 V HA -0.208 3.916 4.120 0.007 0.000 0.249 478 V C 1.975 178.129 176.094 0.100 0.000 1.055 478 V CA 1.408 63.745 62.300 0.061 0.000 1.065 478 V CB -0.594 31.279 31.823 0.085 0.000 0.681 478 V HN 0.229 nan 8.190 nan 0.000 0.462 479 F N 2.362 122.345 119.950 0.055 0.000 2.095 479 F HA -0.208 4.324 4.527 0.007 0.000 0.298 479 F C 2.285 178.086 175.800 0.002 0.000 1.104 479 F CA 1.965 59.981 58.000 0.027 0.000 1.232 479 F CB -0.510 38.501 39.000 0.019 0.000 0.987 479 F HN 0.180 nan 8.300 nan 0.000 0.475 480 N N 0.501 119.065 118.700 -0.227 0.000 2.166 480 N HA -0.189 4.555 4.740 0.007 0.000 0.186 480 N C 1.843 177.170 175.510 -0.304 0.000 1.019 480 N CA 1.555 54.401 53.050 -0.339 0.000 0.856 480 N CB -0.508 37.926 38.487 -0.088 0.000 0.993 480 N HN 0.565 nan 8.380 nan 0.000 0.426 481 Q N 0.501 120.194 119.800 -0.179 0.000 2.084 481 Q HA -0.064 4.281 4.340 0.007 0.000 0.202 481 Q C 2.224 178.153 176.000 -0.118 0.000 0.978 481 Q CA 0.871 56.592 55.803 -0.137 0.000 0.844 481 Q CB -0.039 28.661 28.738 -0.063 0.000 0.898 481 Q HN 0.233 nan 8.270 nan 0.000 0.426 482 R N 1.458 121.870 120.500 -0.146 0.000 2.094 482 R HA -0.194 4.151 4.340 0.007 0.000 0.239 482 R C 2.089 178.234 176.300 -0.258 0.000 1.137 482 R CA 1.735 57.751 56.100 -0.141 0.000 0.943 482 R CB -0.259 29.976 30.300 -0.108 0.000 0.850 482 R HN 0.128 nan 8.270 nan 0.000 0.433 483 K N 0.526 120.639 120.400 -0.479 0.000 2.063 483 K HA -0.196 4.128 4.320 0.007 0.000 0.208 483 K C 2.035 178.392 176.600 -0.407 0.000 1.048 483 K CA 1.742 57.738 56.287 -0.485 0.000 0.928 483 K CB -0.148 31.940 32.500 -0.686 0.000 0.713 483 K HN 0.272 nan 8.250 nan 0.000 0.442 484 E N -0.115 119.801 120.200 -0.473 0.000 2.031 484 E HA -0.228 4.126 4.350 0.007 0.000 0.193 484 E C 1.953 177.985 176.600 -0.947 0.000 0.994 484 E CA 1.267 57.261 56.400 -0.678 0.000 0.800 484 E CB -0.041 29.242 29.700 -0.696 0.000 0.752 484 E HN 0.482 nan 8.360 nan 0.000 0.447 485 H N 0.177 118.915 119.070 -0.554 0.000 2.423 485 H HA -0.063 4.497 4.556 0.007 0.000 0.297 485 H C 2.136 177.284 175.328 -0.300 0.000 1.075 485 H CA 1.185 56.980 56.048 -0.422 0.000 1.342 485 H CB -0.056 29.576 29.762 -0.216 0.000 1.395 485 H HN 0.161 nan 8.280 nan 0.000 0.530 486 K N 0.719 121.019 120.400 -0.167 0.000 2.097 486 K HA -0.107 4.218 4.320 0.007 0.000 0.206 486 K C 2.399 178.905 176.600 -0.156 0.000 1.049 486 K CA 1.070 57.275 56.287 -0.137 0.000 0.933 486 K CB -0.169 32.254 32.500 -0.127 0.000 0.717 486 K HN 0.257 nan 8.250 nan 0.000 0.442 487 G N 0.370 109.019 108.800 -0.251 0.000 2.459 487 G HA2 -0.261 3.704 3.960 0.007 0.000 0.217 487 G HA3 -0.261 3.704 3.960 0.007 0.000 0.217 487 G C 1.146 175.988 174.900 -0.097 0.000 1.183 487 G CA 0.993 45.972 45.100 -0.202 0.000 0.776 487 G HN 0.244 nan 8.290 nan 0.000 0.552 488 Y N 0.053 120.224 120.300 -0.216 0.000 2.128 488 Y HA -0.061 4.493 4.550 0.007 0.000 0.284 488 Y C 2.882 178.669 175.900 -0.187 0.000 1.154 488 Y CA 0.687 58.623 58.100 -0.273 0.000 1.149 488 Y CB -1.212 37.089 38.460 -0.265 0.000 0.976 488 Y HN 0.140 nan 8.280 nan 0.000 0.505 489 M N -0.381 119.233 119.600 0.024 0.000 2.110 489 M HA -0.271 4.213 4.480 0.007 0.000 0.257 489 M C 2.086 178.353 176.300 -0.055 0.000 1.071 489 M CA 1.977 57.261 55.300 -0.026 0.000 1.096 489 M CB -0.558 32.019 32.600 -0.039 0.000 1.300 489 M HN 0.320 nan 8.290 nan 0.000 0.411 490 L N -0.215 120.970 121.223 -0.064 0.000 2.131 490 L HA -0.165 4.179 4.340 0.007 0.000 0.210 490 L C 2.666 179.483 176.870 -0.089 0.000 1.092 490 L CA 1.104 55.898 54.840 -0.076 0.000 0.759 490 L CB -0.779 41.234 42.059 -0.077 0.000 0.903 490 L HN 0.407 nan 8.230 nan 0.000 0.435 491 A N -0.115 122.653 122.820 -0.087 0.000 1.898 491 A HA -0.119 4.206 4.320 0.007 0.000 0.216 491 A C 2.531 180.025 177.584 -0.150 0.000 1.181 491 A CA 1.477 53.447 52.037 -0.112 0.000 0.620 491 A CB -0.712 18.221 19.000 -0.110 0.000 0.819 491 A HN 0.367 nan 8.150 nan 0.000 0.442 492 A N -0.755 121.991 122.820 -0.125 0.000 1.978 492 A HA -0.233 4.092 4.320 0.007 0.000 0.220 492 A C 2.161 179.673 177.584 -0.120 0.000 1.170 492 A CA 1.863 53.829 52.037 -0.118 0.000 0.636 492 A CB -0.500 18.447 19.000 -0.089 0.000 0.810 492 A HN 0.690 nan 8.150 nan 0.000 0.448 493 Q N -0.842 118.896 119.800 -0.103 0.000 2.187 493 Q HA -0.065 4.279 4.340 0.007 0.000 0.199 493 Q C 2.248 178.191 176.000 -0.096 0.000 0.957 493 Q CA 0.831 56.585 55.803 -0.081 0.000 0.857 493 Q CB -0.026 28.672 28.738 -0.066 0.000 0.929 493 Q HN 0.664 nan 8.270 nan 0.000 0.453 494 R N 0.052 120.477 120.500 -0.126 0.000 2.062 494 R HA -0.039 4.305 4.340 0.007 0.000 0.229 494 R C 1.947 178.160 176.300 -0.144 0.000 1.128 494 R CA 1.327 57.349 56.100 -0.131 0.000 0.960 494 R CB -0.146 30.077 30.300 -0.129 0.000 0.855 494 R HN 0.314 nan 8.270 nan 0.000 0.432 495 N N 0.255 118.800 118.700 -0.258 0.000 2.205 495 N HA -0.129 4.616 4.740 0.007 0.000 0.186 495 N C 1.737 177.176 175.510 -0.118 0.000 1.015 495 N CA 1.482 54.272 53.050 -0.433 0.000 0.862 495 N CB -0.670 37.257 38.487 -0.933 0.000 0.986 495 N HN 0.334 nan 8.380 nan 0.000 0.429 496 G N 1.277 110.034 108.800 -0.073 0.000 2.418 496 G HA2 -0.216 3.748 3.960 0.007 0.000 0.217 496 G HA3 -0.216 3.748 3.960 0.007 0.000 0.217 496 G C 1.450 176.372 174.900 0.037 0.000 1.158 496 G CA 0.554 45.653 45.100 -0.002 0.000 0.771 496 G HN 0.211 nan 8.290 nan 0.000 0.545 497 E N 0.476 120.685 120.200 0.015 0.000 2.150 497 E HA -0.005 4.349 4.350 0.007 0.000 0.193 497 E C 2.562 179.186 176.600 0.041 0.000 0.985 497 E CA 0.284 56.704 56.400 0.033 0.000 0.814 497 E CB -0.212 29.485 29.700 -0.005 0.000 0.752 497 E HN 0.549 nan 8.360 nan 0.000 0.466 498 I N 0.615 121.218 120.570 0.055 0.000 2.286 498 I HA -0.229 3.946 4.170 0.007 0.000 0.248 498 I C 2.168 178.368 176.117 0.138 0.000 1.115 498 I CA 0.888 62.252 61.300 0.105 0.000 1.392 498 I CB -0.221 37.894 38.000 0.192 0.000 1.065 498 I HN 0.029 nan 8.210 nan 0.000 0.418 499 I N 0.387 121.060 120.570 0.171 0.000 2.439 499 I HA -0.203 3.971 4.170 0.007 0.000 0.251 499 I C 2.343 178.534 176.117 0.124 0.000 1.139 499 I CA 1.125 62.528 61.300 0.172 0.000 1.438 499 I CB -0.306 37.819 38.000 0.208 0.000 1.085 499 I HN 0.087 nan 8.210 nan 0.000 0.427 500 K N 1.036 121.499 120.400 0.105 0.000 2.097 500 K HA -0.194 4.131 4.320 0.007 0.000 0.205 500 K C 1.967 178.623 176.600 0.093 0.000 1.050 500 K CA 1.630 57.988 56.287 0.119 0.000 0.938 500 K CB -0.007 32.562 32.500 0.116 0.000 0.718 500 K HN 0.400 nan 8.250 nan 0.000 0.442 501 E N 0.401 120.579 120.200 -0.036 0.000 2.208 501 E HA -0.083 4.272 4.350 0.007 0.000 0.193 501 E C 1.704 178.270 176.600 -0.056 0.000 0.988 501 E CA 1.146 57.408 56.400 -0.229 0.000 0.828 501 E CB -0.291 29.301 29.700 -0.180 0.000 0.763 501 E HN 0.205 nan 8.360 nan 0.000 0.478 502 A N 1.245 124.091 122.820 0.042 0.000 1.969 502 A HA -0.038 4.286 4.320 0.007 0.000 0.218 502 A C 1.817 179.464 177.584 0.105 0.000 1.169 502 A CA 1.352 53.430 52.037 0.069 0.000 0.635 502 A CB -0.573 18.472 19.000 0.075 0.000 0.810 502 A HN 0.359 nan 8.150 nan 0.000 0.445 503 L N -3.261 118.053 121.223 0.152 0.000 2.728 503 L HA 0.402 4.746 4.340 0.007 0.000 0.235 503 L C 1.145 178.143 176.870 0.213 0.000 1.197 503 L CA 0.320 55.252 54.840 0.153 0.000 0.992 503 L CB -1.281 40.846 42.059 0.115 0.000 1.263 503 L HN 0.132 nan 8.230 nan 0.000 0.484 504 H N 1.079 120.172 119.070 0.039 0.000 2.436 504 H HA 0.181 4.741 4.556 0.006 0.000 0.294 504 H C 0.228 175.574 175.328 0.030 0.000 1.048 504 H CA 0.851 56.921 56.048 0.035 0.000 1.353 504 H CB 0.155 29.941 29.762 0.040 0.000 1.414 504 H HN 0.577 nan 8.280 nan 0.000 0.536 505 N N 0.121 118.909 118.700 0.147 0.000 2.653 505 N HA 0.134 4.878 4.740 0.007 0.000 0.261 505 N C -3.226 172.322 175.510 0.064 0.000 1.216 505 N CA -1.467 51.632 53.050 0.081 0.000 0.784 505 N CB 1.533 40.060 38.487 0.067 0.000 1.327 505 N HN -0.026 nan 8.380 nan 0.000 0.539 506 P HA 0.173 nan 4.420 nan 0.000 0.281 506 P C -0.299 177.020 177.300 0.031 0.000 1.252 506 P CA -0.251 62.876 63.100 0.044 0.000 0.778 506 P CB 0.934 32.659 31.700 0.041 0.000 0.895 507 N N 3.166 121.882 118.700 0.026 0.000 2.440 507 N HA 0.011 4.756 4.740 0.007 0.000 0.265 507 N C 0.277 175.796 175.510 0.015 0.000 1.239 507 N CA 0.038 53.099 53.050 0.019 0.000 0.909 507 N CB 0.300 38.795 38.487 0.014 0.000 1.066 507 N HN 0.421 nan 8.380 nan 0.000 0.474 508 L N 2.491 123.722 121.223 0.013 0.000 2.791 508 L HA -0.077 4.268 4.340 0.007 0.000 0.276 508 L C 0.711 177.586 176.870 0.008 0.000 1.136 508 L CA 1.310 56.156 54.840 0.010 0.000 1.008 508 L CB -1.090 40.975 42.059 0.009 0.000 1.348 508 L HN 0.485 nan 8.230 nan 0.000 0.476 509 S N 2.756 118.460 115.700 0.007 0.000 2.552 509 S HA 0.522 4.996 4.470 0.007 0.000 0.272 509 S C -0.946 173.656 174.600 0.004 0.000 1.150 509 S CA -0.557 57.647 58.200 0.005 0.000 0.849 509 S CB 1.894 65.097 63.200 0.005 0.000 1.113 509 S HN 0.123 nan 8.310 nan 0.000 0.458 510 V N 4.559 124.474 119.914 0.003 0.000 2.275 510 V HA 0.463 4.587 4.120 0.007 0.000 0.272 510 V C -0.593 175.502 176.094 0.002 0.000 1.028 510 V CA -0.418 61.883 62.300 0.002 0.000 0.810 510 V CB 0.392 32.216 31.823 0.001 0.000 1.043 510 V HN 0.914 nan 8.190 nan 0.000 0.453 511 D N 3.021 123.422 120.400 0.003 0.000 2.961 511 D HA 0.600 5.244 4.640 0.007 0.000 0.257 511 D C -0.513 175.789 176.300 0.005 0.000 1.211 511 D CA -0.726 53.275 54.000 0.002 0.000 1.066 511 D CB 1.136 41.937 40.800 0.001 0.000 1.291 511 D HN 0.221 nan 8.370 nan 0.000 0.629 512 E N -0.446 119.757 120.200 0.005 0.000 2.291 512 E HA 0.353 4.708 4.350 0.007 0.000 0.276 512 E C -2.749 173.859 176.600 0.013 0.000 0.896 512 E CA -1.684 54.721 56.400 0.008 0.000 0.774 512 E CB 2.450 32.152 29.700 0.002 0.000 1.227 512 E HN 0.158 nan 8.360 nan 0.000 0.413 513 P HA 0.122 nan 4.420 nan 0.000 0.271 513 P C -0.240 177.081 177.300 0.035 0.000 1.226 513 P CA -0.477 62.654 63.100 0.052 0.000 0.765 513 P CB 0.357 32.109 31.700 0.087 0.000 0.835 514 L N 3.188 124.412 121.223 0.002 0.000 2.483 514 L HA 0.029 4.373 4.340 0.007 0.000 0.276 514 L C 0.962 177.811 176.870 -0.036 0.000 1.213 514 L CA 0.775 55.585 54.840 -0.049 0.000 0.843 514 L CB -0.218 41.760 42.059 -0.135 0.000 1.107 514 L HN 0.367 nan 8.230 nan 0.000 0.487 515 D N 2.728 123.102 120.400 -0.043 0.000 2.422 515 D HA 0.422 5.067 4.640 0.007 0.000 0.227 515 D C -0.930 175.324 176.300 -0.076 0.000 1.190 515 D CA -0.121 53.861 54.000 -0.030 0.000 0.905 515 D CB 0.298 41.090 40.800 -0.014 0.000 1.034 515 D HN 0.246 nan 8.370 nan 0.000 0.507 516 V N 0.809 120.649 119.914 -0.122 0.000 3.087 516 V HA 0.472 4.596 4.120 0.007 0.000 0.306 516 V C -0.432 175.557 176.094 -0.175 0.000 1.187 516 V CA -1.182 61.015 62.300 -0.171 0.000 0.999 516 V CB 1.981 33.654 31.823 -0.249 0.000 1.049 516 V HN 0.276 nan 8.190 nan 0.000 0.431 517 D N 1.027 121.400 120.400 -0.044 0.000 2.393 517 D HA 0.299 4.944 4.640 0.007 0.000 0.232 517 D C 0.270 176.605 176.300 0.059 0.000 1.192 517 D CA 0.016 54.055 54.000 0.066 0.000 0.882 517 D CB 0.840 41.760 40.800 0.201 0.000 1.038 517 D HN 0.633 nan 8.370 nan 0.000 0.499 518 Y N 2.272 122.621 120.300 0.082 0.000 2.639 518 Y HA -0.047 4.507 4.550 0.007 0.000 0.297 518 Y C 2.223 178.018 175.900 -0.176 0.000 1.151 518 Y CA 0.519 58.604 58.100 -0.025 0.000 1.335 518 Y CB 0.092 38.532 38.460 -0.034 0.000 0.994 518 Y HN 0.297 nan 8.280 nan 0.000 0.548 519 R N -0.961 119.446 120.500 -0.156 0.000 2.193 519 R HA 0.021 4.366 4.340 0.007 0.000 0.213 519 R C -0.503 175.374 176.300 -0.704 0.000 1.055 519 R CA 0.506 56.276 56.100 -0.550 0.000 0.995 519 R CB -0.007 29.625 30.300 -1.113 0.000 0.893 519 R HN 0.126 nan 8.270 nan 0.000 0.459 520 F N 0.348 120.237 119.950 -0.102 0.000 2.538 520 F HA 0.230 4.761 4.527 0.007 0.000 0.325 520 F C 0.322 176.078 175.800 -0.073 0.000 1.066 520 F CA -1.472 56.491 58.000 -0.061 0.000 0.946 520 F CB 0.839 39.807 39.000 -0.054 0.000 1.199 520 F HN -0.258 nan 8.300 nan 0.000 0.473 521 D N 2.013 122.496 120.400 0.139 0.000 2.434 521 D HA 0.018 4.662 4.640 0.007 0.000 0.252 521 D C -0.114 176.277 176.300 0.152 0.000 1.185 521 D CA 0.291 54.320 54.000 0.049 0.000 0.886 521 D CB 0.272 41.103 40.800 0.052 0.000 1.148 521 D HN 0.084 nan 8.370 nan 0.000 0.483 522 F N 1.831 121.799 119.950 0.030 0.000 2.548 522 F HA -0.120 4.411 4.527 0.007 0.000 0.403 522 F C 1.710 177.510 175.800 -0.000 0.000 1.004 522 F CA -0.469 57.532 58.000 0.002 0.000 1.177 522 F CB -0.560 38.439 39.000 -0.002 0.000 0.974 522 F HN 0.067 nan 8.300 nan 0.000 0.541 523 S N 2.605 118.408 115.700 0.172 0.000 2.614 523 S HA 0.115 4.590 4.470 0.007 0.000 0.265 523 S C 1.157 175.782 174.600 0.042 0.000 1.303 523 S CA -0.746 57.499 58.200 0.075 0.000 1.000 523 S CB 0.983 64.201 63.200 0.029 0.000 0.935 523 S HN 0.593 nan 8.310 nan 0.000 0.551 524 D N 0.979 121.394 120.400 0.024 0.000 2.126 524 D HA -0.209 4.435 4.640 0.007 0.000 0.190 524 D C 1.729 178.020 176.300 -0.014 0.000 1.001 524 D CA 1.997 56.003 54.000 0.010 0.000 0.841 524 D CB -0.381 40.422 40.800 0.006 0.000 0.949 524 D HN 0.881 nan 8.370 nan 0.000 0.446 525 E N 0.428 120.613 120.200 -0.026 0.000 2.048 525 E HA -0.225 4.129 4.350 0.007 0.000 0.202 525 E C 2.420 178.977 176.600 -0.071 0.000 1.021 525 E CA 1.283 57.657 56.400 -0.043 0.000 0.825 525 E CB -0.264 29.409 29.700 -0.045 0.000 0.756 525 E HN 0.369 nan 8.360 nan 0.000 0.454 526 I N 0.034 120.542 120.570 -0.104 0.000 2.394 526 I HA -0.233 3.942 4.170 0.007 0.000 0.251 526 I C 1.894 177.875 176.117 -0.227 0.000 1.136 526 I CA 1.352 62.530 61.300 -0.203 0.000 1.425 526 I CB 0.023 37.838 38.000 -0.308 0.000 1.079 526 I HN -0.006 nan 8.210 nan 0.000 0.425 527 K N 0.598 120.927 120.400 -0.119 0.000 2.057 527 K HA -0.198 4.127 4.320 0.007 0.000 0.207 527 K C 2.040 178.613 176.600 -0.046 0.000 1.049 527 K CA 1.561 57.818 56.287 -0.050 0.000 0.931 527 K CB -0.159 32.360 32.500 0.033 0.000 0.714 527 K HN 0.213 nan 8.250 nan 0.000 0.440 528 E N 0.933 121.107 120.200 -0.043 0.000 2.358 528 E HA -0.052 4.302 4.350 0.007 0.000 0.195 528 E C 1.008 177.582 176.600 -0.044 0.000 1.010 528 E CA 1.061 57.442 56.400 -0.032 0.000 0.856 528 E CB 0.196 29.882 29.700 -0.023 0.000 0.795 528 E HN 0.150 nan 8.360 nan 0.000 0.504 529 K N -0.198 120.159 120.400 -0.072 0.000 2.305 529 K HA 0.051 4.376 4.320 0.007 0.000 0.199 529 K C 1.679 178.234 176.600 -0.075 0.000 1.047 529 K CA 0.181 56.424 56.287 -0.075 0.000 0.976 529 K CB 0.215 32.656 32.500 -0.099 0.000 0.765 529 K HN 0.134 nan 8.250 nan 0.000 0.474 530 I N 2.779 123.294 120.570 -0.091 0.000 2.142 530 I HA -0.283 3.891 4.170 0.007 0.000 0.240 530 I C 2.265 178.371 176.117 -0.018 0.000 1.078 530 I CA 1.612 62.870 61.300 -0.070 0.000 1.343 530 I CB -0.805 37.155 38.000 -0.067 0.000 1.046 530 I HN 0.224 nan 8.210 nan 0.000 0.405 531 K N 1.461 121.857 120.400 -0.007 0.000 2.365 531 K HA -0.102 4.222 4.320 0.007 0.000 0.199 531 K C 1.774 178.379 176.600 0.008 0.000 1.045 531 K CA 1.244 57.537 56.287 0.011 0.000 0.962 531 K CB -0.936 31.572 32.500 0.014 0.000 0.759 531 K HN 0.271 nan 8.250 nan 0.000 0.469 532 K N 1.691 122.089 120.400 -0.003 0.000 2.555 532 K HA 0.153 4.477 4.320 0.007 0.000 0.193 532 K C 1.171 177.771 176.600 0.000 0.000 1.032 532 K CA 0.576 56.862 56.287 -0.003 0.000 1.004 532 K CB -0.618 31.876 32.500 -0.010 0.000 0.804 532 K HN 0.216 nan 8.250 nan 0.000 0.496 533 L N 0.818 122.044 121.223 0.004 0.000 2.431 533 L HA 0.329 4.674 4.340 0.007 0.000 0.260 533 L C 0.966 177.847 176.870 0.019 0.000 1.098 533 L CA -0.922 53.924 54.840 0.009 0.000 0.800 533 L CB 1.888 43.953 42.059 0.009 0.000 1.210 533 L HN 0.358 nan 8.230 nan 0.000 0.465 534 S N 0.062 115.773 115.700 0.019 0.000 2.616 534 S HA 0.385 4.860 4.470 0.007 0.000 0.277 534 S C 0.929 175.546 174.600 0.029 0.000 1.234 534 S CA -0.175 58.038 58.200 0.021 0.000 1.028 534 S CB 1.677 64.886 63.200 0.015 0.000 0.988 534 S HN 0.709 nan 8.310 nan 0.000 0.522 535 A N 2.501 125.338 122.820 0.029 0.000 1.927 535 A HA -0.189 4.136 4.320 0.007 0.000 0.220 535 A C 2.061 179.662 177.584 0.029 0.000 1.185 535 A CA 2.207 54.264 52.037 0.032 0.000 0.639 535 A CB -1.058 17.957 19.000 0.025 0.000 0.820 535 A HN 0.900 nan 8.150 nan 0.000 0.451 536 K N -0.474 119.938 120.400 0.019 0.000 2.002 536 K HA -0.089 4.236 4.320 0.007 0.000 0.209 536 K C 2.485 179.098 176.600 0.022 0.000 1.048 536 K CA 1.515 57.809 56.287 0.013 0.000 0.930 536 K CB -0.515 31.988 32.500 0.005 0.000 0.714 536 K HN 0.398 nan 8.250 nan 0.000 0.438 537 S N 0.205 115.921 115.700 0.027 0.000 2.368 537 S HA -0.041 4.434 4.470 0.007 0.000 0.225 537 S C 1.802 176.439 174.600 0.061 0.000 1.030 537 S CA 0.998 59.221 58.200 0.038 0.000 0.999 537 S CB -0.214 63.004 63.200 0.029 0.000 0.844 537 S HN 0.190 nan 8.310 nan 0.000 0.459 538 L N 0.975 122.235 121.223 0.061 0.000 2.109 538 L HA -0.050 4.295 4.340 0.007 0.000 0.207 538 L C 2.204 179.132 176.870 0.098 0.000 1.086 538 L CA 1.228 56.120 54.840 0.085 0.000 0.760 538 L CB -0.597 41.509 42.059 0.078 0.000 0.910 538 L HN 0.360 nan 8.230 nan 0.000 0.437 539 N N -0.413 118.332 118.700 0.075 0.000 2.120 539 N HA -0.236 4.508 4.740 0.007 0.000 0.188 539 N C 1.755 177.326 175.510 0.101 0.000 1.024 539 N CA 0.952 54.047 53.050 0.076 0.000 0.852 539 N CB 0.030 38.544 38.487 0.044 0.000 1.003 539 N HN 0.183 nan 8.380 nan 0.000 0.424 540 E N 1.010 121.257 120.200 0.079 0.000 2.085 540 E HA -0.150 4.205 4.350 0.007 0.000 0.194 540 E C 1.765 178.470 176.600 0.173 0.000 0.994 540 E CA 1.384 57.842 56.400 0.097 0.000 0.801 540 E CB -0.073 29.659 29.700 0.054 0.000 0.743 540 E HN 0.338 nan 8.360 nan 0.000 0.453 541 M N -0.575 119.130 119.600 0.175 0.000 2.117 541 M HA -0.130 4.354 4.480 0.007 0.000 0.262 541 M C 2.192 178.574 176.300 0.136 0.000 1.065 541 M CA 1.022 56.471 55.300 0.248 0.000 1.114 541 M CB -0.345 32.431 32.600 0.294 0.000 1.361 541 M HN 0.245 nan 8.290 nan 0.000 0.408 542 L N 0.372 121.671 121.223 0.127 0.000 1.976 542 L HA -0.178 4.166 4.340 0.007 0.000 0.209 542 L C 2.289 179.155 176.870 -0.006 0.000 1.071 542 L CA 1.833 56.713 54.840 0.066 0.000 0.746 542 L CB -1.065 41.046 42.059 0.088 0.000 0.890 542 L HN 0.214 nan 8.230 nan 0.000 0.432 543 F N 0.583 120.487 119.950 -0.077 0.000 2.085 543 F HA -0.338 4.193 4.527 0.007 0.000 0.299 543 F C 2.556 178.252 175.800 -0.174 0.000 1.096 543 F CA 2.256 60.196 58.000 -0.100 0.000 1.227 543 F CB -0.288 38.672 39.000 -0.067 0.000 0.983 543 F HN 0.066 nan 8.300 nan 0.000 0.482 544 R N 0.115 120.526 120.500 -0.147 0.000 2.075 544 R HA -0.068 4.276 4.340 0.007 0.000 0.232 544 R C 2.534 178.358 176.300 -0.793 0.000 1.126 544 R CA 1.070 56.911 56.100 -0.433 0.000 0.963 544 R CB -0.949 29.170 30.300 -0.302 0.000 0.858 544 R HN 0.428 nan 8.270 nan 0.000 0.435 545 A N 1.192 123.455 122.820 -0.927 0.000 1.917 545 A HA -0.287 4.038 4.320 0.007 0.000 0.219 545 A C 2.073 179.432 177.584 -0.375 0.000 1.182 545 A CA 1.594 53.238 52.037 -0.655 0.000 0.633 545 A CB -0.506 18.339 19.000 -0.258 0.000 0.819 545 A HN 0.333 nan 8.150 nan 0.000 0.448 546 Q N -1.426 118.165 119.800 -0.349 0.000 2.167 546 Q HA -0.103 4.241 4.340 0.007 0.000 0.202 546 Q C 2.328 178.127 176.000 -0.335 0.000 0.970 546 Q CA 1.048 56.675 55.803 -0.294 0.000 0.855 546 Q CB -0.003 28.566 28.738 -0.283 0.000 0.911 546 Q HN 0.422 nan 8.270 nan 0.000 0.438 547 R N -0.620 119.602 120.500 -0.463 0.000 2.115 547 R HA -0.019 4.326 4.340 0.007 0.000 0.226 547 R C 2.106 178.257 176.300 -0.248 0.000 1.100 547 R CA 1.335 57.192 56.100 -0.405 0.000 0.980 547 R CB -0.730 29.261 30.300 -0.515 0.000 0.875 547 R HN 0.299 nan 8.270 nan 0.000 0.445 548 T N 1.018 115.430 114.554 -0.237 0.000 2.701 548 T HA -0.137 4.217 4.350 0.007 0.000 0.263 548 T C 1.689 176.323 174.700 -0.110 0.000 1.040 548 T CA 1.164 63.182 62.100 -0.136 0.000 1.147 548 T CB -0.115 68.692 68.868 -0.101 0.000 0.865 548 T HN 0.342 nan 8.240 nan 0.000 0.426 549 E N 0.599 120.720 120.200 -0.131 0.000 2.070 549 E HA -0.156 4.199 4.350 0.007 0.000 0.197 549 E C 2.309 178.858 176.600 -0.085 0.000 1.004 549 E CA 1.256 57.598 56.400 -0.097 0.000 0.805 549 E CB -0.165 29.473 29.700 -0.103 0.000 0.744 549 E HN 0.252 nan 8.360 nan 0.000 0.451 550 V N 1.184 121.033 119.914 -0.108 0.000 2.332 550 V HA -0.292 3.832 4.120 0.007 0.000 0.248 550 V C 2.480 178.530 176.094 -0.074 0.000 1.055 550 V CA 1.898 64.145 62.300 -0.088 0.000 1.038 550 V CB -0.787 30.968 31.823 -0.114 0.000 0.651 550 V HN 0.413 nan 8.190 nan 0.000 0.450 551 A N 0.285 123.052 122.820 -0.089 0.000 1.902 551 A HA -0.079 4.245 4.320 0.007 0.000 0.217 551 A C 2.421 179.971 177.584 -0.057 0.000 1.181 551 A CA 1.897 53.888 52.037 -0.076 0.000 0.623 551 A CB -1.198 17.758 19.000 -0.072 0.000 0.818 551 A HN 0.530 nan 8.150 nan 0.000 0.443 552 G N -1.010 107.772 108.800 -0.029 0.000 2.418 552 G HA2 -0.229 3.736 3.960 0.007 0.000 0.217 552 G HA3 -0.229 3.736 3.960 0.007 0.000 0.217 552 G C 1.530 176.407 174.900 -0.038 0.000 1.158 552 G CA 1.270 46.373 45.100 0.005 0.000 0.771 552 G HN 0.290 nan 8.290 nan 0.000 0.545 553 M N 1.020 120.593 119.600 -0.046 0.000 2.110 553 M HA -0.127 4.357 4.480 0.007 0.000 0.257 553 M C 2.663 178.934 176.300 -0.048 0.000 1.071 553 M CA 2.081 57.350 55.300 -0.052 0.000 1.096 553 M CB -1.482 31.095 32.600 -0.038 0.000 1.300 553 M HN 0.251 nan 8.290 nan 0.000 0.411 554 T N 1.059 115.607 114.554 -0.009 0.000 2.607 554 T HA -0.192 4.163 4.350 0.007 0.000 0.267 554 T C 1.752 176.419 174.700 -0.055 0.000 1.049 554 T CA 2.365 64.497 62.100 0.053 0.000 1.162 554 T CB -0.714 68.209 68.868 0.093 0.000 0.863 554 T HN 0.563 nan 8.240 nan 0.000 0.424 555 A N 1.442 124.169 122.820 -0.157 0.000 1.917 555 A HA -0.231 4.094 4.320 0.007 0.000 0.219 555 A C 2.327 179.776 177.584 -0.225 0.000 1.182 555 A CA 2.089 53.931 52.037 -0.324 0.000 0.633 555 A CB -0.752 17.843 19.000 -0.673 0.000 0.819 555 A HN 0.503 nan 8.150 nan 0.000 0.448 556 Q N -0.281 119.441 119.800 -0.130 0.000 1.969 556 Q HA -0.105 4.239 4.340 0.007 0.000 0.198 556 Q C 2.131 178.081 176.000 -0.085 0.000 0.978 556 Q CA 1.853 57.609 55.803 -0.079 0.000 0.830 556 Q CB -0.399 28.298 28.738 -0.069 0.000 0.896 556 Q HN 0.655 nan 8.270 nan 0.000 0.431 557 I N 1.332 121.831 120.570 -0.118 0.000 2.286 557 I HA -0.262 3.912 4.170 0.007 0.000 0.248 557 I C 1.710 177.799 176.117 -0.048 0.000 1.115 557 I CA 0.995 62.181 61.300 -0.191 0.000 1.392 557 I CB -0.114 37.618 38.000 -0.447 0.000 1.065 557 I HN 0.242 nan 8.210 nan 0.000 0.418 558 N N 0.691 119.407 118.700 0.027 0.000 2.270 558 N HA -0.128 4.616 4.740 0.007 0.000 0.181 558 N C 1.853 177.388 175.510 0.042 0.000 1.016 558 N CA 0.955 54.067 53.050 0.104 0.000 0.870 558 N CB -0.178 38.298 38.487 -0.018 0.000 0.979 558 N HN 0.416 nan 8.380 nan 0.000 0.431 559 R N 1.257 121.744 120.500 -0.023 0.000 2.090 559 R HA -0.032 4.313 4.340 0.007 0.000 0.228 559 R C 2.194 178.537 176.300 0.071 0.000 1.110 559 R CA 0.836 56.930 56.100 -0.010 0.000 0.973 559 R CB -0.057 30.211 30.300 -0.053 0.000 0.869 559 R HN 0.219 nan 8.270 nan 0.000 0.440 560 K N 1.032 121.469 120.400 0.060 0.000 2.063 560 K HA -0.195 4.129 4.320 0.007 0.000 0.208 560 K C 1.995 178.680 176.600 0.143 0.000 1.048 560 K CA 1.344 57.686 56.287 0.092 0.000 0.928 560 K CB -0.148 32.371 32.500 0.031 0.000 0.713 560 K HN 0.067 nan 8.250 nan 0.000 0.442 561 L N 1.125 122.453 121.223 0.175 0.000 2.027 561 L HA -0.108 4.236 4.340 0.007 0.000 0.206 561 L C 2.220 179.228 176.870 0.231 0.000 1.074 561 L CA 1.271 56.252 54.840 0.234 0.000 0.745 561 L CB -0.582 41.664 42.059 0.311 0.000 0.898 561 L HN 0.314 nan 8.230 nan 0.000 0.433 562 L N 0.072 121.430 121.223 0.224 0.000 2.042 562 L HA -0.218 4.127 4.340 0.007 0.000 0.210 562 L C 2.346 179.541 176.870 0.543 0.000 1.076 562 L CA 2.331 57.353 54.840 0.304 0.000 0.749 562 L CB -0.633 41.506 42.059 0.134 0.000 0.893 562 L HN 0.514 nan 8.230 nan 0.000 0.432 563 I N -3.973 116.846 120.570 0.414 0.000 2.406 563 I HA -0.151 4.024 4.170 0.007 0.000 0.249 563 I C 1.966 178.193 176.117 0.183 0.000 1.122 563 I CA 1.560 63.068 61.300 0.347 0.000 1.431 563 I CB -0.947 37.213 38.000 0.266 0.000 1.087 563 I HN 0.300 nan 8.210 nan 0.000 0.424 564 N N 1.308 120.126 118.700 0.197 0.000 2.244 564 N HA -0.110 4.634 4.740 0.007 0.000 0.183 564 N C 1.844 177.500 175.510 0.245 0.000 1.016 564 N CA 1.230 54.400 53.050 0.199 0.000 0.866 564 N CB 0.019 38.596 38.487 0.150 0.000 0.980 564 N HN 0.334 nan 8.380 nan 0.000 0.430 565 S N 0.826 116.655 115.700 0.215 0.000 2.453 565 S HA -0.032 4.442 4.470 0.007 0.000 0.231 565 S C 1.719 176.323 174.600 0.007 0.000 1.005 565 S CA 0.296 58.594 58.200 0.163 0.000 0.949 565 S CB -0.060 63.279 63.200 0.232 0.000 0.774 565 S HN 0.227 nan 8.310 nan 0.000 0.510 566 L N 1.231 122.372 121.223 -0.137 0.000 2.056 566 L HA -0.051 4.293 4.340 0.007 0.000 0.207 566 L C 1.985 178.653 176.870 -0.336 0.000 1.078 566 L CA 1.771 56.232 54.840 -0.632 0.000 0.749 566 L CB -1.214 40.133 42.059 -1.186 0.000 0.901 566 L HN 0.436 nan 8.230 nan 0.000 0.433 567 Y N 0.197 120.382 120.300 -0.192 0.000 2.097 567 Y HA -0.145 4.409 4.550 0.008 0.000 0.282 567 Y C 2.215 178.095 175.900 -0.033 0.000 1.152 567 Y CA 2.004 60.055 58.100 -0.081 0.000 1.136 567 Y CB -1.096 37.407 38.460 0.070 0.000 0.975 567 Y HN 0.149 nan 8.280 nan 0.000 0.498 568 G N -0.118 108.411 108.800 -0.452 0.000 2.471 568 G HA2 -0.161 3.804 3.960 0.007 0.000 0.219 568 G HA3 -0.161 3.804 3.960 0.007 0.000 0.219 568 G C 1.746 176.451 174.900 -0.325 0.000 1.125 568 G CA 0.783 45.586 45.100 -0.494 0.000 0.775 568 G HN 0.698 nan 8.290 nan 0.000 0.548 569 A N 0.658 123.263 122.820 -0.359 0.000 1.969 569 A HA 0.148 4.472 4.320 0.007 0.000 0.218 569 A C 2.330 179.764 177.584 -0.251 0.000 1.169 569 A CA 0.859 52.594 52.037 -0.502 0.000 0.635 569 A CB -0.294 18.017 19.000 -1.149 0.000 0.810 569 A HN 0.357 nan 8.150 nan 0.000 0.445 570 L N -0.889 120.215 121.223 -0.198 0.000 2.191 570 L HA -0.120 4.224 4.340 0.007 0.000 0.212 570 L C 2.240 179.048 176.870 -0.104 0.000 1.103 570 L CA 1.002 55.824 54.840 -0.031 0.000 0.769 570 L CB -0.388 41.590 42.059 -0.135 0.000 0.908 570 L HN 0.510 nan 8.230 nan 0.000 0.438 571 G N -1.179 107.539 108.800 -0.136 0.000 3.434 571 G HA2 -0.037 3.927 3.960 0.007 0.000 0.258 571 G HA3 -0.037 3.927 3.960 0.007 0.000 0.258 571 G C 0.161 175.235 174.900 0.289 0.000 1.128 571 G CA -0.227 44.858 45.100 -0.026 0.000 0.792 571 G HN 0.133 nan 8.290 nan 0.000 0.539 572 N N 1.145 120.043 118.700 0.330 0.000 2.443 572 N HA 0.105 4.850 4.740 0.007 0.000 0.269 572 N C 1.633 177.127 175.510 -0.027 0.000 0.985 572 N CA -0.358 52.795 53.050 0.172 0.000 0.921 572 N CB 2.246 40.818 38.487 0.142 0.000 1.195 572 N HN -0.042 nan 8.380 nan 0.000 0.492 573 V N 2.070 121.627 119.914 -0.595 0.000 2.660 573 V HA -0.136 3.988 4.120 0.007 0.000 0.257 573 V C 1.251 177.000 176.094 -0.576 0.000 1.088 573 V CA 1.166 62.782 62.300 -1.141 0.000 1.106 573 V CB -0.892 30.314 31.823 -1.030 0.000 0.686 573 V HN 0.651 nan 8.190 nan 0.000 0.481 574 W N -1.209 120.072 121.300 -0.032 0.000 3.256 574 W HA 0.386 5.050 4.660 0.007 0.000 0.269 574 W C 0.845 177.473 176.519 0.181 0.000 1.310 574 W CA -0.813 56.566 57.345 0.057 0.000 1.673 574 W CB 0.047 29.534 29.460 0.044 0.000 1.115 574 W HN 0.216 nan 8.180 nan 0.000 0.686 575 F N 1.751 121.832 119.950 0.218 0.000 2.411 575 F HA 0.288 4.820 4.527 0.008 0.000 0.350 575 F C 1.750 177.645 175.800 0.159 0.000 1.114 575 F CA -1.646 56.484 58.000 0.216 0.000 1.135 575 F CB 0.685 39.823 39.000 0.230 0.000 1.120 575 F HN -0.223 nan 8.300 nan 0.000 0.495 576 R N 3.572 123.868 120.500 -0.339 0.000 2.159 576 R HA -0.261 4.084 4.340 0.007 0.000 0.252 576 R C 0.375 176.174 176.300 -0.834 0.000 1.144 576 R CA 2.301 58.019 56.100 -0.637 0.000 0.961 576 R CB -0.381 29.394 30.300 -0.875 0.000 0.877 576 R HN 0.719 nan 8.270 nan 0.000 0.444 577 Y N -0.985 118.844 120.300 -0.784 0.000 2.746 577 Y HA 0.111 4.666 4.550 0.008 0.000 0.312 577 Y C -0.505 175.358 175.900 -0.063 0.000 1.117 577 Y CA -0.960 56.921 58.100 -0.365 0.000 1.324 577 Y CB -0.512 37.742 38.460 -0.345 0.000 1.173 577 Y HN 0.073 nan 8.280 nan 0.000 0.529 578 Y N 2.449 122.748 120.300 -0.001 0.000 2.721 578 Y HA 0.216 4.770 4.550 0.007 0.000 0.329 578 Y C -0.358 175.476 175.900 -0.110 0.000 1.211 578 Y CA 0.038 58.157 58.100 0.031 0.000 1.512 578 Y CB 0.325 38.730 38.460 -0.093 0.000 1.249 578 Y HN 0.266 nan 8.280 nan 0.000 0.549 579 D N 5.974 125.939 120.400 -0.725 0.000 2.548 579 D HA 0.102 4.746 4.640 0.007 0.000 0.214 579 D C -0.510 175.432 176.300 -0.596 0.000 1.345 579 D CA -0.489 53.117 54.000 -0.658 0.000 0.945 579 D CB 0.931 41.576 40.800 -0.259 0.000 1.499 579 D HN 0.510 nan 8.370 nan 0.000 0.579 580 L N 3.303 124.132 121.223 -0.657 0.000 2.291 580 L HA 0.168 4.513 4.340 0.007 0.000 0.214 580 L C 2.253 178.924 176.870 -0.333 0.000 1.120 580 L CA 1.209 55.739 54.840 -0.517 0.000 0.799 580 L CB -0.402 41.415 42.059 -0.403 0.000 0.925 580 L HN 0.426 nan 8.230 nan 0.000 0.446 581 R N -0.889 119.463 120.500 -0.248 0.000 2.092 581 R HA -0.083 4.261 4.340 0.007 0.000 0.231 581 R C 1.873 178.111 176.300 -0.104 0.000 1.119 581 R CA 1.084 57.089 56.100 -0.158 0.000 0.970 581 R CB -0.230 29.986 30.300 -0.141 0.000 0.864 581 R HN 0.408 nan 8.270 nan 0.000 0.440 582 N N 0.885 119.519 118.700 -0.110 0.000 2.135 582 N HA -0.070 4.674 4.740 0.007 0.000 0.186 582 N C 1.750 177.186 175.510 -0.124 0.000 1.027 582 N CA 1.413 54.425 53.050 -0.063 0.000 0.849 582 N CB -0.403 38.050 38.487 -0.056 0.000 1.002 582 N HN 0.161 nan 8.380 nan 0.000 0.425 583 A N 0.789 123.477 122.820 -0.219 0.000 1.892 583 A HA -0.183 4.141 4.320 0.007 0.000 0.218 583 A C 2.363 179.874 177.584 -0.121 0.000 1.188 583 A CA 2.637 54.532 52.037 -0.236 0.000 0.631 583 A CB -1.239 17.380 19.000 -0.635 0.000 0.822 583 A HN 0.538 nan 8.150 nan 0.000 0.447 584 T N -2.793 111.656 114.554 -0.175 0.000 2.985 584 T HA 0.268 4.623 4.350 0.007 0.000 0.266 584 T C 1.864 176.548 174.700 -0.027 0.000 1.076 584 T CA 1.273 63.358 62.100 -0.026 0.000 1.135 584 T CB -0.375 68.483 68.868 -0.016 0.000 0.890 584 T HN 0.561 nan 8.240 nan 0.000 0.480 585 A N 1.626 124.416 122.820 -0.049 0.000 1.933 585 A HA 0.112 4.437 4.320 0.007 0.000 0.218 585 A C 2.303 179.843 177.584 -0.073 0.000 1.175 585 A CA 1.265 53.288 52.037 -0.022 0.000 0.628 585 A CB -0.791 18.228 19.000 0.031 0.000 0.814 585 A HN 0.602 nan 8.150 nan 0.000 0.444 586 I N 0.010 120.482 120.570 -0.163 0.000 2.163 586 I HA -0.214 3.960 4.170 0.007 0.000 0.240 586 I C 2.881 178.755 176.117 -0.406 0.000 1.081 586 I CA 1.864 62.960 61.300 -0.339 0.000 1.353 586 I CB -0.610 37.132 38.000 -0.430 0.000 1.054 586 I HN 0.525 nan 8.210 nan 0.000 0.407 587 T N -2.630 111.736 114.554 -0.314 0.000 2.857 587 T HA -0.090 4.265 4.350 0.007 0.000 0.266 587 T C 1.780 176.466 174.700 -0.023 0.000 1.048 587 T CA 1.586 63.548 62.100 -0.231 0.000 1.139 587 T CB -0.770 68.119 68.868 0.036 0.000 0.874 587 T HN 0.209 nan 8.240 nan 0.000 0.455 588 T N 1.257 115.818 114.554 0.011 0.000 2.857 588 T HA 0.099 4.453 4.350 0.007 0.000 0.266 588 T C 1.343 176.056 174.700 0.022 0.000 1.048 588 T CA 0.854 62.970 62.100 0.026 0.000 1.139 588 T CB -0.560 68.318 68.868 0.016 0.000 0.874 588 T HN 0.377 nan 8.240 nan 0.000 0.455 589 F N 2.235 122.116 119.950 -0.115 0.000 2.134 589 F HA 0.072 4.603 4.527 0.007 0.000 0.299 589 F C 2.400 178.153 175.800 -0.079 0.000 1.097 589 F CA 1.141 59.067 58.000 -0.123 0.000 1.264 589 F CB -0.824 38.074 39.000 -0.170 0.000 1.001 589 F HN 0.171 nan 8.300 nan 0.000 0.479 590 G N -0.350 108.564 108.800 0.190 0.000 2.476 590 G HA2 -0.290 3.675 3.960 0.007 0.000 0.218 590 G HA3 -0.290 3.675 3.960 0.007 0.000 0.218 590 G C 1.536 176.519 174.900 0.138 0.000 1.164 590 G CA 0.919 46.136 45.100 0.195 0.000 0.768 590 G HN 0.427 nan 8.290 nan 0.000 0.560 591 Q N -0.693 119.163 119.800 0.095 0.000 2.030 591 Q HA -0.125 4.219 4.340 0.007 0.000 0.204 591 Q C 2.522 178.492 176.000 -0.050 0.000 0.986 591 Q CA 1.527 57.367 55.803 0.060 0.000 0.843 591 Q CB -0.298 28.456 28.738 0.027 0.000 0.904 591 Q HN 0.580 nan 8.270 nan 0.000 0.420 592 M N 0.419 119.955 119.600 -0.108 0.000 2.082 592 M HA -0.235 4.249 4.480 0.007 0.000 0.258 592 M C 2.188 178.460 176.300 -0.046 0.000 1.071 592 M CA 2.051 57.279 55.300 -0.119 0.000 1.103 592 M CB -0.282 32.176 32.600 -0.237 0.000 1.307 592 M HN 0.227 nan 8.290 nan 0.000 0.409 593 A N 0.617 123.346 122.820 -0.152 0.000 1.958 593 A HA -0.217 4.107 4.320 0.007 0.000 0.221 593 A C 2.166 179.901 177.584 0.253 0.000 1.178 593 A CA 1.855 53.923 52.037 0.050 0.000 0.642 593 A CB -1.157 17.879 19.000 0.060 0.000 0.816 593 A HN 0.701 nan 8.150 nan 0.000 0.453 594 L N -1.235 120.102 121.223 0.190 0.000 2.131 594 L HA -0.110 4.234 4.340 0.007 0.000 0.206 594 L C 2.395 179.364 176.870 0.165 0.000 1.087 594 L CA 2.054 57.025 54.840 0.217 0.000 0.767 594 L CB -0.710 41.501 42.059 0.253 0.000 0.917 594 L HN 0.509 nan 8.230 nan 0.000 0.441 595 Q N -1.095 118.754 119.800 0.082 0.000 2.096 595 Q HA -0.205 4.140 4.340 0.007 0.000 0.197 595 Q C 1.882 177.913 176.000 0.052 0.000 0.964 595 Q CA 1.494 57.303 55.803 0.009 0.000 0.838 595 Q CB -0.266 28.362 28.738 -0.183 0.000 0.906 595 Q HN 0.578 nan 8.270 nan 0.000 0.444 596 W N 1.138 122.384 121.300 -0.091 0.000 2.290 596 W HA -0.290 4.374 4.660 0.007 0.000 0.323 596 W C 1.721 178.140 176.519 -0.166 0.000 1.260 596 W CA 1.552 58.835 57.345 -0.103 0.000 1.266 596 W CB -0.479 28.924 29.460 -0.094 0.000 1.149 596 W HN 0.227 nan 8.180 nan 0.000 0.482 597 I N 1.389 122.028 120.570 0.116 0.000 2.761 597 I HA -0.180 3.995 4.170 0.007 0.000 0.261 597 I C 2.521 178.560 176.117 -0.129 0.000 1.198 597 I CA 1.879 63.097 61.300 -0.138 0.000 1.482 597 I CB -0.764 37.031 38.000 -0.342 0.000 1.100 597 I HN 0.122 nan 8.210 nan 0.000 0.445 598 E N 0.675 120.849 120.200 -0.045 0.000 2.017 598 E HA -0.324 4.030 4.350 0.007 0.000 0.193 598 E C 2.459 179.016 176.600 -0.071 0.000 0.997 598 E CA 1.410 57.795 56.400 -0.026 0.000 0.804 598 E CB -0.261 29.459 29.700 0.033 0.000 0.757 598 E HN 0.430 nan 8.360 nan 0.000 0.448 599 R N 0.487 120.913 120.500 -0.123 0.000 2.115 599 R HA -0.209 4.135 4.340 0.007 0.000 0.239 599 R C 2.404 178.595 176.300 -0.183 0.000 1.133 599 R CA 2.306 58.307 56.100 -0.166 0.000 0.935 599 R CB -0.100 30.041 30.300 -0.264 0.000 0.853 599 R HN 0.044 nan 8.270 nan 0.000 0.433 600 K N 0.053 120.285 120.400 -0.280 0.000 2.009 600 K HA -0.136 4.188 4.320 0.007 0.000 0.210 600 K C 2.163 178.690 176.600 -0.121 0.000 1.049 600 K CA 1.519 57.667 56.287 -0.232 0.000 0.929 600 K CB -0.678 31.647 32.500 -0.291 0.000 0.714 600 K HN 0.156 nan 8.250 nan 0.000 0.440 601 V N 2.601 122.436 119.914 -0.132 0.000 2.332 601 V HA -0.254 3.870 4.120 0.007 0.000 0.248 601 V C 2.073 178.175 176.094 0.013 0.000 1.055 601 V CA 1.751 63.994 62.300 -0.094 0.000 1.038 601 V CB -0.531 31.206 31.823 -0.144 0.000 0.651 601 V HN 0.322 nan 8.190 nan 0.000 0.450 602 N N -0.219 118.508 118.700 0.044 0.000 2.223 602 N HA -0.146 4.599 4.740 0.007 0.000 0.185 602 N C 1.835 177.423 175.510 0.132 0.000 1.016 602 N CA 1.348 54.489 53.050 0.153 0.000 0.863 602 N CB -0.123 38.427 38.487 0.106 0.000 0.983 602 N HN 0.623 nan 8.380 nan 0.000 0.429 603 E N -0.606 119.618 120.200 0.041 0.000 2.016 603 E HA -0.166 4.188 4.350 0.007 0.000 0.190 603 E C 1.686 178.308 176.600 0.037 0.000 0.985 603 E CA 0.691 57.104 56.400 0.022 0.000 0.802 603 E CB -0.287 29.391 29.700 -0.038 0.000 0.762 603 E HN 0.384 nan 8.360 nan 0.000 0.448 604 Y N 1.681 121.933 120.300 -0.081 0.000 2.151 604 Y HA -0.263 4.291 4.550 0.007 0.000 0.284 604 Y C 1.886 177.728 175.900 -0.096 0.000 1.166 604 Y CA 1.528 59.575 58.100 -0.089 0.000 1.163 604 Y CB -0.121 38.266 38.460 -0.120 0.000 0.974 604 Y HN -0.035 nan 8.280 nan 0.000 0.511 605 L N -0.157 120.994 121.223 -0.120 0.000 2.072 605 L HA -0.199 4.146 4.340 0.007 0.000 0.205 605 L C 2.148 178.825 176.870 -0.321 0.000 1.079 605 L CA 1.686 56.282 54.840 -0.408 0.000 0.752 605 L CB -0.723 40.840 42.059 -0.827 0.000 0.906 605 L HN 0.277 nan 8.230 nan 0.000 0.436 606 N N -0.587 118.127 118.700 0.023 0.000 2.137 606 N HA -0.210 4.534 4.740 0.007 0.000 0.190 606 N C 1.722 177.239 175.510 0.011 0.000 1.017 606 N CA 1.043 54.209 53.050 0.193 0.000 0.859 606 N CB 0.136 38.751 38.487 0.215 0.000 1.002 606 N HN 0.334 nan 8.380 nan 0.000 0.428 607 E N 0.514 120.658 120.200 -0.093 0.000 1.996 607 E HA -0.165 4.189 4.350 0.007 0.000 0.197 607 E C 2.393 178.885 176.600 -0.180 0.000 1.002 607 E CA 1.363 57.681 56.400 -0.135 0.000 0.840 607 E CB -0.628 28.968 29.700 -0.173 0.000 0.786 607 E HN 0.324 nan 8.360 nan 0.000 0.469 608 V N 1.317 121.019 119.914 -0.353 0.000 2.636 608 V HA -0.290 3.834 4.120 0.007 0.000 0.258 608 V C 2.441 178.450 176.094 -0.141 0.000 1.092 608 V CA 2.578 64.702 62.300 -0.294 0.000 1.110 608 V CB -0.929 30.601 31.823 -0.488 0.000 0.685 608 V HN 0.364 nan 8.190 nan 0.000 0.481 609 C N -1.124 118.102 119.300 -0.123 0.000 2.519 609 C HA 0.534 4.998 4.460 0.007 0.000 0.281 609 C C 2.333 177.331 174.990 0.014 0.000 1.331 609 C CA 1.348 60.347 59.018 -0.032 0.000 1.725 609 C CB 0.298 28.050 27.740 0.021 0.000 2.079 609 C HN 1.229 nan 8.230 nan 0.000 0.496 610 G N -0.329 108.481 108.800 0.016 0.000 2.905 610 G HA2 -0.131 3.834 3.960 0.007 0.000 0.196 610 G HA3 -0.131 3.834 3.960 0.007 0.000 0.196 610 G C 0.546 175.465 174.900 0.031 0.000 1.044 610 G CA 0.597 45.707 45.100 0.017 0.000 0.778 610 G HN 0.723 nan 8.290 nan 0.000 0.474 611 T N -1.057 113.536 114.554 0.065 0.000 3.051 611 T HA 0.629 4.984 4.350 0.007 0.000 0.356 611 T C -0.021 174.709 174.700 0.050 0.000 1.204 611 T CA 0.586 62.718 62.100 0.053 0.000 0.990 611 T CB 1.780 70.681 68.868 0.054 0.000 1.628 611 T HN 0.453 nan 8.240 nan 0.000 0.550 612 E N -0.920 119.301 120.200 0.035 0.000 2.406 612 E HA 0.430 4.785 4.350 0.007 0.000 0.297 612 E C -0.055 176.549 176.600 0.006 0.000 0.917 612 E CA 0.011 56.426 56.400 0.024 0.000 0.795 612 E CB 0.971 30.675 29.700 0.006 0.000 1.285 612 E HN 1.183 nan 8.360 nan 0.000 0.400 613 G N 3.229 112.034 108.800 0.009 0.000 2.137 613 G HA2 -0.205 3.760 3.960 0.007 0.000 0.237 613 G HA3 -0.205 3.760 3.960 0.007 0.000 0.237 613 G C -0.149 174.717 174.900 -0.058 0.000 1.002 613 G CA 0.116 45.205 45.100 -0.018 0.000 0.702 613 G HN 0.414 nan 8.290 nan 0.000 0.515 614 E N 0.376 120.521 120.200 -0.093 0.000 2.229 614 E HA 0.536 4.890 4.350 0.007 0.000 0.283 614 E C 0.614 176.992 176.600 -0.371 0.000 1.030 614 E CA 0.319 56.544 56.400 -0.292 0.000 0.836 614 E CB 1.344 30.746 29.700 -0.497 0.000 1.068 614 E HN 0.719 nan 8.360 nan 0.000 0.401 615 A N 4.417 127.061 122.820 -0.294 0.000 2.410 615 A HA 0.220 4.545 4.320 0.007 0.000 0.292 615 A C 0.256 177.698 177.584 -0.237 0.000 1.232 615 A CA -0.155 51.778 52.037 -0.173 0.000 0.893 615 A CB -0.441 18.510 19.000 -0.082 0.000 1.131 615 A HN 0.557 nan 8.150 nan 0.000 0.530 616 F N 2.227 122.195 119.950 0.029 0.000 2.374 616 F HA 0.054 4.585 4.527 0.007 0.000 0.291 616 F C 1.191 177.007 175.800 0.028 0.000 1.084 616 F CA 0.447 58.474 58.000 0.046 0.000 1.413 616 F CB 0.105 39.143 39.000 0.063 0.000 1.099 616 F HN 0.270 nan 8.300 nan 0.000 0.534 617 V N 4.914 124.936 119.914 0.179 0.000 2.403 617 V HA -0.034 4.091 4.120 0.007 0.000 0.265 617 V C 1.305 177.397 176.094 -0.003 0.000 1.034 617 V CA -0.207 62.145 62.300 0.087 0.000 1.036 617 V CB 0.368 32.235 31.823 0.074 0.000 1.032 617 V HN 0.208 nan 8.190 nan 0.000 0.478 618 L N 4.182 125.341 121.223 -0.108 0.000 2.418 618 L HA 0.285 4.629 4.340 0.007 0.000 0.218 618 L C 0.206 176.905 176.870 -0.285 0.000 1.125 618 L CA 1.331 55.995 54.840 -0.293 0.000 0.835 618 L CB -0.967 40.684 42.059 -0.679 0.000 0.953 618 L HN 0.557 nan 8.230 nan 0.000 0.454 619 Y N -0.382 119.706 120.300 -0.353 0.000 2.702 619 Y HA 0.612 5.166 4.550 0.007 0.000 0.336 619 Y C -0.897 174.994 175.900 -0.015 0.000 1.203 619 Y CA -0.521 57.392 58.100 -0.311 0.000 1.072 619 Y CB 1.183 39.202 38.460 -0.734 0.000 1.327 619 Y HN 0.149 nan 8.280 nan 0.000 0.456 620 G N 2.495 110.843 108.800 -0.752 0.000 2.596 620 G HA2 0.451 4.415 3.960 0.007 0.000 0.296 620 G HA3 0.451 4.415 3.960 0.007 0.000 0.296 620 G C -2.732 171.795 174.900 -0.622 0.000 1.513 620 G CA -0.669 44.189 45.100 -0.402 0.000 0.851 620 G HN 0.552 nan 8.290 nan 0.000 0.548 621 D N 0.374 120.615 120.400 -0.265 0.000 2.736 621 D HA 0.549 5.193 4.640 0.007 0.000 0.243 621 D C 1.194 177.489 176.300 -0.010 0.000 1.304 621 D CA 0.786 54.680 54.000 -0.177 0.000 0.934 621 D CB 1.417 42.178 40.800 -0.065 0.000 1.382 621 D HN 0.610 nan 8.370 nan 0.000 0.571 622 T N 2.501 117.068 114.554 0.022 0.000 12.971 622 T HA -0.303 4.052 4.350 0.007 0.000 0.419 622 T C 0.633 175.403 174.700 0.117 0.000 1.442 622 T CA 2.009 64.160 62.100 0.085 0.000 2.370 622 T CB -1.131 67.739 68.868 0.004 0.000 2.822 622 T HN 0.675 nan 8.240 nan 0.000 0.691 623 D N 1.418 121.866 120.400 0.080 0.000 2.636 623 D HA 0.338 4.983 4.640 0.007 0.000 0.270 623 D C -0.078 176.288 176.300 0.109 0.000 1.430 623 D CA 0.484 54.542 54.000 0.098 0.000 0.796 623 D CB 0.002 40.827 40.800 0.042 0.000 1.117 623 D HN 0.738 nan 8.370 nan 0.000 0.480 624 S N 0.327 116.091 115.700 0.108 0.000 2.542 624 S HA 0.781 5.255 4.470 0.007 0.000 0.293 624 S C -0.192 174.469 174.600 0.101 0.000 1.089 624 S CA -0.920 57.341 58.200 0.101 0.000 0.961 624 S CB 1.829 65.114 63.200 0.142 0.000 1.062 624 S HN 0.347 nan 8.310 nan 0.000 0.483 625 I N -0.623 119.990 120.570 0.072 0.000 2.582 625 I HA 0.607 4.782 4.170 0.007 0.000 0.292 625 I C -1.958 174.182 176.117 0.038 0.000 1.066 625 I CA -1.200 60.160 61.300 0.100 0.000 1.053 625 I CB 1.462 39.514 38.000 0.086 0.000 1.241 625 I HN 0.614 nan 8.210 nan 0.000 0.421 626 Y N 5.073 125.439 120.300 0.109 0.000 2.417 626 Y HA 0.542 5.097 4.550 0.007 0.000 0.336 626 Y C -0.011 175.922 175.900 0.055 0.000 0.961 626 Y CA -0.793 57.372 58.100 0.107 0.000 1.215 626 Y CB 1.700 40.179 38.460 0.031 0.000 1.120 626 Y HN 0.347 nan 8.280 nan 0.000 0.499 627 V N 2.429 122.496 119.914 0.255 0.000 2.439 627 V HA 0.242 4.367 4.120 0.007 0.000 0.282 627 V C 0.409 176.654 176.094 0.251 0.000 1.039 627 V CA -0.906 61.536 62.300 0.236 0.000 0.913 627 V CB 1.627 33.602 31.823 0.254 0.000 0.983 627 V HN 0.762 nan 8.190 nan 0.000 0.460 628 S N 3.174 119.018 115.700 0.240 0.000 2.516 628 S HA 0.385 4.860 4.470 0.007 0.000 0.282 628 S C 0.884 175.692 174.600 0.347 0.000 1.286 628 S CA 0.130 58.502 58.200 0.287 0.000 1.066 628 S CB 0.734 64.099 63.200 0.276 0.000 0.884 628 S HN 1.049 nan 8.310 nan 0.000 0.491 629 A N 4.240 127.260 122.820 0.333 0.000 2.503 629 A HA 0.268 4.593 4.320 0.007 0.000 0.263 629 A C 1.185 178.898 177.584 0.214 0.000 1.258 629 A CA -0.197 52.003 52.037 0.272 0.000 0.936 629 A CB -0.101 19.054 19.000 0.257 0.000 1.070 629 A HN 0.769 nan 8.150 nan 0.000 0.522 630 D N 1.183 121.754 120.400 0.285 0.000 2.087 630 D HA -0.163 4.481 4.640 0.007 0.000 0.192 630 D C 1.690 178.071 176.300 0.136 0.000 0.993 630 D CA 1.533 55.675 54.000 0.237 0.000 0.828 630 D CB -0.106 40.844 40.800 0.249 0.000 0.968 630 D HN 0.442 nan 8.370 nan 0.000 0.448 631 K N -0.058 120.459 120.400 0.195 0.000 2.209 631 K HA -0.031 4.293 4.320 0.007 0.000 0.204 631 K C 2.171 178.828 176.600 0.095 0.000 1.048 631 K CA 0.530 56.919 56.287 0.169 0.000 0.940 631 K CB -0.008 32.665 32.500 0.288 0.000 0.729 631 K HN 0.210 nan 8.250 nan 0.000 0.451 632 I N 0.855 121.464 120.570 0.066 0.000 2.286 632 I HA -0.226 3.948 4.170 0.007 0.000 0.245 632 I C 2.083 178.250 176.117 0.084 0.000 1.104 632 I CA 0.764 62.053 61.300 -0.018 0.000 1.397 632 I CB -0.132 37.767 38.000 -0.169 0.000 1.072 632 I HN 0.080 nan 8.210 nan 0.000 0.417 633 I N 0.729 121.322 120.570 0.038 0.000 2.286 633 I HA -0.276 3.899 4.170 0.007 0.000 0.248 633 I C 1.845 177.950 176.117 -0.019 0.000 1.115 633 I CA 1.642 62.916 61.300 -0.044 0.000 1.392 633 I CB -1.089 36.584 38.000 -0.544 0.000 1.065 633 I HN 0.258 nan 8.210 nan 0.000 0.418 634 D N 0.750 121.143 120.400 -0.011 0.000 2.310 634 D HA -0.161 4.484 4.640 0.007 0.000 0.212 634 D C 1.908 178.200 176.300 -0.014 0.000 0.965 634 D CA 0.838 54.839 54.000 0.002 0.000 0.879 634 D CB -0.177 40.641 40.800 0.031 0.000 0.921 634 D HN 0.230 nan 8.370 nan 0.000 0.510 635 K N 0.305 120.694 120.400 -0.018 0.000 2.546 635 K HA 0.048 4.372 4.320 0.007 0.000 0.198 635 K C 0.219 176.758 176.600 -0.103 0.000 1.028 635 K CA 0.232 56.494 56.287 -0.042 0.000 1.150 635 K CB 0.287 32.771 32.500 -0.027 0.000 0.876 635 K HN -0.017 nan 8.250 nan 0.000 0.508 636 V N -2.860 116.969 119.914 -0.141 0.000 3.623 636 V HA 0.261 4.385 4.120 0.007 0.000 0.283 636 V C 0.437 176.374 176.094 -0.262 0.000 1.643 636 V CA -0.388 61.749 62.300 -0.271 0.000 1.121 636 V CB -0.055 31.451 31.823 -0.529 0.000 0.933 636 V HN 0.317 nan 8.190 nan 0.000 0.420 637 G N 1.441 110.167 108.800 -0.123 0.000 2.877 637 G HA2 -0.249 3.716 3.960 0.007 0.000 0.279 637 G HA3 -0.249 3.716 3.960 0.007 0.000 0.279 637 G C 0.566 175.452 174.900 -0.023 0.000 1.431 637 G CA 0.544 45.602 45.100 -0.071 0.000 0.883 637 G HN 0.343 nan 8.290 nan 0.000 0.547 638 E N -0.079 120.134 120.200 0.021 0.000 2.152 638 E HA -0.134 4.220 4.350 0.007 0.000 0.192 638 E C 2.813 179.452 176.600 0.064 0.000 0.983 638 E CA 1.834 58.288 56.400 0.090 0.000 0.818 638 E CB -0.247 29.496 29.700 0.072 0.000 0.758 638 E HN 0.731 nan 8.360 nan 0.000 0.467 639 S N 1.362 117.045 115.700 -0.029 0.000 2.378 639 S HA -0.224 4.250 4.470 0.007 0.000 0.221 639 S C 1.974 176.495 174.600 -0.132 0.000 1.037 639 S CA 1.525 59.688 58.200 -0.062 0.000 1.069 639 S CB -0.583 62.569 63.200 -0.081 0.000 1.006 639 S HN 0.029 nan 8.310 nan 0.000 0.423 640 K N 1.170 121.387 120.400 -0.305 0.000 2.442 640 K HA 0.067 4.391 4.320 0.007 0.000 0.200 640 K C -0.594 175.753 176.600 -0.422 0.000 1.045 640 K CA 0.450 56.486 56.287 -0.419 0.000 0.937 640 K CB -0.792 31.368 32.500 -0.565 0.000 0.757 640 K HN 0.452 nan 8.250 nan 0.000 0.474 641 F N 0.516 120.470 119.950 0.007 0.000 2.391 641 F HA 0.363 4.894 4.527 0.006 0.000 0.359 641 F C 1.474 177.249 175.800 -0.043 0.000 1.122 641 F CA -0.853 57.190 58.000 0.072 0.000 1.120 641 F CB 1.139 40.238 39.000 0.166 0.000 1.142 641 F HN -0.167 nan 8.300 nan 0.000 0.483 642 R N 1.170 121.592 120.500 -0.131 0.000 2.096 642 R HA -0.124 4.220 4.340 0.007 0.000 0.229 642 R C 0.149 176.360 176.300 -0.147 0.000 1.134 642 R CA 2.043 57.948 56.100 -0.324 0.000 0.917 642 R CB -0.075 29.737 30.300 -0.813 0.000 0.832 642 R HN 0.811 nan 8.270 nan 0.000 0.430 643 D N -3.195 117.110 120.400 -0.158 0.000 2.687 643 D HA 0.119 4.763 4.640 0.007 0.000 0.264 643 D C 0.633 176.916 176.300 -0.029 0.000 1.091 643 D CA -0.491 53.485 54.000 -0.041 0.000 1.123 643 D CB 0.456 41.218 40.800 -0.064 0.000 1.407 643 D HN -0.103 nan 8.370 nan 0.000 0.591 644 T N 0.032 114.496 114.554 -0.149 0.000 2.597 644 T HA -0.237 4.117 4.350 0.007 0.000 0.267 644 T C 1.499 175.591 174.700 -1.013 0.000 1.053 644 T CA 2.193 63.969 62.100 -0.542 0.000 1.165 644 T CB -0.624 67.822 68.868 -0.704 0.000 0.863 644 T HN 0.557 nan 8.240 nan 0.000 0.427 645 N N 0.447 118.795 118.700 -0.587 0.000 2.334 645 N HA -0.153 4.591 4.740 0.007 0.000 0.187 645 N C 1.658 176.999 175.510 -0.281 0.000 1.016 645 N CA 1.194 53.981 53.050 -0.438 0.000 0.879 645 N CB -0.262 38.119 38.487 -0.177 0.000 0.965 645 N HN 0.582 nan 8.380 nan 0.000 0.438 646 H N -1.409 117.491 119.070 -0.283 0.000 2.395 646 H HA -0.085 4.474 4.556 0.006 0.000 0.299 646 H C 1.514 176.773 175.328 -0.116 0.000 1.070 646 H CA 1.459 57.471 56.048 -0.059 0.000 1.356 646 H CB -0.081 29.773 29.762 0.154 0.000 1.401 646 H HN 0.586 nan 8.280 nan 0.000 0.524 647 W N 0.702 121.822 121.300 -0.300 0.000 2.584 647 W HA 0.018 4.683 4.660 0.009 0.000 0.264 647 W C 1.226 177.614 176.519 -0.217 0.000 1.264 647 W CA 0.389 57.332 57.345 -0.670 0.000 1.306 647 W CB -0.864 28.021 29.460 -0.958 0.000 1.110 647 W HN -0.124 nan 8.180 nan 0.000 0.606 648 V N 2.162 121.767 119.914 -0.516 0.000 2.270 648 V HA -0.290 3.834 4.120 0.007 0.000 0.245 648 V C 2.410 178.441 176.094 -0.105 0.000 1.043 648 V CA 2.424 64.507 62.300 -0.362 0.000 1.014 648 V CB -1.054 30.410 31.823 -0.598 0.000 0.645 648 V HN -0.005 nan 8.190 nan 0.000 0.447 649 D N -0.416 119.914 120.400 -0.118 0.000 2.133 649 D HA -0.205 4.439 4.640 0.007 0.000 0.195 649 D C 1.923 178.264 176.300 0.068 0.000 0.997 649 D CA 1.567 55.544 54.000 -0.039 0.000 0.840 649 D CB -0.204 40.548 40.800 -0.080 0.000 0.947 649 D HN 0.435 nan 8.370 nan 0.000 0.452 650 F N 1.680 121.616 119.950 -0.023 0.000 2.026 650 F HA -0.190 4.341 4.527 0.007 0.000 0.296 650 F C 2.279 178.152 175.800 0.123 0.000 1.133 650 F CA 1.329 59.370 58.000 0.069 0.000 1.188 650 F CB -0.865 38.179 39.000 0.075 0.000 0.968 650 F HN -0.120 nan 8.300 nan 0.000 0.476 651 L N 0.252 121.311 121.223 -0.273 0.000 2.013 651 L HA -0.277 4.067 4.340 0.007 0.000 0.212 651 L C 2.414 179.242 176.870 -0.070 0.000 1.073 651 L CA 1.895 56.578 54.840 -0.261 0.000 0.753 651 L CB -1.074 41.009 42.059 0.039 0.000 0.890 651 L HN 0.268 nan 8.230 nan 0.000 0.432 652 D N 0.582 120.966 120.400 -0.026 0.000 2.106 652 D HA -0.242 4.402 4.640 0.007 0.000 0.191 652 D C 2.249 178.542 176.300 -0.011 0.000 0.997 652 D CA 2.443 56.431 54.000 -0.021 0.000 0.834 652 D CB 0.095 40.880 40.800 -0.025 0.000 0.956 652 D HN 0.183 nan 8.370 nan 0.000 0.448 653 K N -0.313 120.090 120.400 0.005 0.000 2.147 653 K HA -0.120 4.205 4.320 0.007 0.000 0.205 653 K C 2.227 178.859 176.600 0.054 0.000 1.049 653 K CA 1.449 57.760 56.287 0.040 0.000 0.936 653 K CB -1.259 31.299 32.500 0.097 0.000 0.722 653 K HN 0.360 nan 8.250 nan 0.000 0.446 654 F N 1.109 120.948 119.950 -0.185 0.000 2.187 654 F HA 0.193 4.724 4.527 0.007 0.000 0.295 654 F C 2.664 178.430 175.800 -0.056 0.000 1.091 654 F CA 0.703 58.596 58.000 -0.178 0.000 1.308 654 F CB -0.418 38.322 39.000 -0.434 0.000 1.030 654 F HN 0.233 nan 8.300 nan 0.000 0.487 655 A N 0.620 123.415 122.820 -0.041 0.000 1.883 655 A HA -0.242 4.082 4.320 0.007 0.000 0.217 655 A C 2.380 179.933 177.584 -0.053 0.000 1.186 655 A CA 2.019 54.058 52.037 0.004 0.000 0.624 655 A CB -0.908 18.160 19.000 0.114 0.000 0.822 655 A HN 0.448 nan 8.150 nan 0.000 0.444 656 R N -0.508 119.966 120.500 -0.043 0.000 2.075 656 R HA -0.098 4.246 4.340 0.007 0.000 0.232 656 R C 1.768 178.027 176.300 -0.068 0.000 1.126 656 R CA 1.850 57.928 56.100 -0.037 0.000 0.963 656 R CB -0.167 30.118 30.300 -0.024 0.000 0.858 656 R HN 0.633 nan 8.270 nan 0.000 0.435 657 E N -1.352 118.796 120.200 -0.087 0.000 2.452 657 E HA 0.054 4.408 4.350 0.007 0.000 0.197 657 E C 1.387 177.915 176.600 -0.120 0.000 1.022 657 E CA 0.034 56.392 56.400 -0.069 0.000 0.890 657 E CB 0.623 30.318 29.700 -0.008 0.000 0.918 657 E HN 0.185 nan 8.360 nan 0.000 0.496 658 R N -0.689 119.649 120.500 -0.270 0.000 2.342 658 R HA 0.277 4.622 4.340 0.007 0.000 0.179 658 R C 2.039 178.044 176.300 -0.491 0.000 0.989 658 R CA 0.251 56.157 56.100 -0.323 0.000 1.125 658 R CB -0.397 29.639 30.300 -0.441 0.000 1.211 658 R HN 0.108 nan 8.270 nan 0.000 0.568 659 M N 1.158 120.385 119.600 -0.622 0.000 2.123 659 M HA -0.062 4.423 4.480 0.007 0.000 0.263 659 M C 2.106 178.130 176.300 -0.460 0.000 1.069 659 M CA 1.607 56.524 55.300 -0.638 0.000 1.133 659 M CB -0.208 32.116 32.600 -0.461 0.000 1.356 659 M HN 0.051 nan 8.290 nan 0.000 0.415 660 E N 0.467 120.523 120.200 -0.240 0.000 2.049 660 E HA -0.191 4.164 4.350 0.007 0.000 0.198 660 E C -0.900 175.623 176.600 -0.128 0.000 1.007 660 E CA 1.941 58.276 56.400 -0.108 0.000 0.809 660 E CB -0.916 28.780 29.700 -0.006 0.000 0.749 660 E HN 0.271 nan 8.360 nan 0.000 0.450 661 P HA -0.095 nan 4.420 nan 0.000 0.218 661 P C 0.807 178.011 177.300 -0.161 0.000 1.149 661 P CA 1.831 64.862 63.100 -0.115 0.000 0.817 661 P CB -0.067 31.571 31.700 -0.105 0.000 0.785 662 A N -0.162 122.463 122.820 -0.325 0.000 1.865 662 A HA -0.208 4.117 4.320 0.007 0.000 0.217 662 A C 2.229 179.652 177.584 -0.268 0.000 1.191 662 A CA 1.604 53.395 52.037 -0.409 0.000 0.623 662 A CB -1.688 16.721 19.000 -0.985 0.000 0.826 662 A HN 0.093 nan 8.150 nan 0.000 0.444 663 I N -0.398 120.010 120.570 -0.269 0.000 2.151 663 I HA -0.317 3.857 4.170 0.007 0.000 0.243 663 I C 2.341 178.479 176.117 0.035 0.000 1.080 663 I CA 2.130 63.341 61.300 -0.147 0.000 1.339 663 I CB -0.465 37.477 38.000 -0.097 0.000 1.039 663 I HN 0.431 nan 8.210 nan 0.000 0.409 664 D N 0.522 120.970 120.400 0.079 0.000 2.123 664 D HA -0.188 4.457 4.640 0.007 0.000 0.196 664 D C 2.363 178.712 176.300 0.082 0.000 0.992 664 D CA 1.370 55.472 54.000 0.170 0.000 0.833 664 D CB 0.069 40.940 40.800 0.118 0.000 0.954 664 D HN 0.120 nan 8.370 nan 0.000 0.455 665 R N -0.382 120.122 120.500 0.008 0.000 2.083 665 R HA -0.074 4.271 4.340 0.007 0.000 0.237 665 R C 2.502 178.828 176.300 0.043 0.000 1.137 665 R CA 1.306 57.405 56.100 -0.001 0.000 0.951 665 R CB -0.700 29.584 30.300 -0.026 0.000 0.851 665 R HN 0.258 nan 8.270 nan 0.000 0.434 666 G N 0.419 109.238 108.800 0.032 0.000 2.446 666 G HA2 -0.261 3.703 3.960 0.007 0.000 0.217 666 G HA3 -0.261 3.703 3.960 0.007 0.000 0.217 666 G C 1.106 176.165 174.900 0.265 0.000 1.168 666 G CA 0.647 45.812 45.100 0.108 0.000 0.771 666 G HN 0.176 nan 8.290 nan 0.000 0.551 667 F N 1.562 121.625 119.950 0.188 0.000 2.367 667 F HA 0.105 4.636 4.527 0.007 0.000 0.298 667 F C 2.870 178.680 175.800 0.016 0.000 1.094 667 F CA 1.040 59.120 58.000 0.134 0.000 1.409 667 F CB -0.100 39.056 39.000 0.260 0.000 1.064 667 F HN 0.192 nan 8.300 nan 0.000 0.528 668 R N 0.088 120.611 120.500 0.038 0.000 2.153 668 R HA -0.080 4.264 4.340 0.007 0.000 0.218 668 R C 1.905 178.206 176.300 0.001 0.000 1.072 668 R CA 1.325 57.316 56.100 -0.181 0.000 0.990 668 R CB -0.946 29.131 30.300 -0.371 0.000 0.889 668 R HN 0.313 nan 8.270 nan 0.000 0.452 669 E N 1.456 121.706 120.200 0.084 0.000 2.051 669 E HA -0.228 4.126 4.350 0.007 0.000 0.192 669 E C 2.068 178.751 176.600 0.138 0.000 0.991 669 E CA 1.366 57.855 56.400 0.147 0.000 0.799 669 E CB -0.061 29.780 29.700 0.236 0.000 0.748 669 E HN 0.388 nan 8.360 nan 0.000 0.449 670 M N 0.433 120.032 119.600 -0.002 0.000 2.149 670 M HA -0.186 4.299 4.480 0.007 0.000 0.261 670 M C 2.547 178.750 176.300 -0.161 0.000 1.064 670 M CA 1.502 56.514 55.300 -0.481 0.000 1.102 670 M CB -0.308 31.593 32.600 -1.166 0.000 1.369 670 M HN 0.407 nan 8.290 nan 0.000 0.408 671 C N 0.967 120.265 119.300 -0.004 0.000 2.429 671 C HA -0.138 4.327 4.460 0.007 0.000 0.277 671 C C 2.518 177.532 174.990 0.041 0.000 1.262 671 C CA 1.253 60.306 59.018 0.059 0.000 1.733 671 C CB -0.987 26.835 27.740 0.135 0.000 2.010 671 C HN 0.555 nan 8.230 nan 0.000 0.483 672 E N -0.548 119.685 120.200 0.055 0.000 2.015 672 E HA -0.176 4.179 4.350 0.007 0.000 0.191 672 E C 1.903 178.566 176.600 0.105 0.000 0.991 672 E CA 1.341 57.782 56.400 0.068 0.000 0.802 672 E CB -0.935 28.809 29.700 0.073 0.000 0.759 672 E HN 0.817 nan 8.360 nan 0.000 0.447 673 Y N 0.773 121.058 120.300 -0.026 0.000 2.228 673 Y HA -0.216 4.338 4.550 0.007 0.000 0.285 673 Y C 1.928 177.792 175.900 -0.059 0.000 1.178 673 Y CA 1.376 59.463 58.100 -0.021 0.000 1.202 673 Y CB -0.059 38.396 38.460 -0.009 0.000 0.974 673 Y HN -0.011 nan 8.280 nan 0.000 0.527 674 M N -0.348 119.172 119.600 -0.133 0.000 2.428 674 M HA 0.072 4.556 4.480 0.007 0.000 0.239 674 M C 0.587 176.832 176.300 -0.093 0.000 1.121 674 M CA 0.403 55.579 55.300 -0.207 0.000 1.019 674 M CB -1.129 31.393 32.600 -0.130 0.000 1.485 674 M HN 0.312 nan 8.290 nan 0.000 0.484 675 N N 2.482 121.158 118.700 -0.041 0.000 2.725 675 N HA -0.206 4.538 4.740 0.007 0.000 0.251 675 N C -0.984 174.522 175.510 -0.005 0.000 1.031 675 N CA 0.344 53.383 53.050 -0.019 0.000 0.720 675 N CB -1.298 37.166 38.487 -0.037 0.000 0.930 675 N HN 0.485 nan 8.380 nan 0.000 0.543 676 N N 0.279 118.977 118.700 -0.002 0.000 2.530 676 N HA 0.124 4.869 4.740 0.007 0.000 0.277 676 N C 1.206 176.705 175.510 -0.019 0.000 1.168 676 N CA -0.441 52.595 53.050 -0.022 0.000 0.979 676 N CB 0.879 39.338 38.487 -0.046 0.000 1.141 676 N HN 0.253 nan 8.380 nan 0.000 0.459 677 K N 1.032 121.412 120.400 -0.033 0.000 2.032 677 K HA -0.258 4.066 4.320 0.007 0.000 0.218 677 K C 0.224 176.810 176.600 -0.023 0.000 1.054 677 K CA 1.672 57.945 56.287 -0.023 0.000 0.941 677 K CB 0.111 32.587 32.500 -0.040 0.000 0.720 677 K HN 0.613 nan 8.250 nan 0.000 0.449 678 Q N -0.615 119.154 119.800 -0.051 0.000 2.345 678 Q HA 0.064 4.409 4.340 0.007 0.000 0.275 678 Q C -1.675 174.301 176.000 -0.040 0.000 1.063 678 Q CA -0.820 54.965 55.803 -0.029 0.000 0.819 678 Q CB 1.401 30.109 28.738 -0.050 0.000 1.356 678 Q HN 0.385 nan 8.270 nan 0.000 0.418 679 H N 5.291 124.324 119.070 -0.061 0.000 2.878 679 H HA 0.202 4.762 4.556 0.007 0.000 0.290 679 H C -0.465 174.759 175.328 -0.173 0.000 1.065 679 H CA 0.542 56.539 56.048 -0.086 0.000 1.477 679 H CB 0.466 30.231 29.762 0.005 0.000 1.484 679 H HN 0.662 nan 8.280 nan 0.000 0.504 680 L N 5.473 126.127 121.223 -0.948 0.000 3.386 680 L HA 0.166 4.511 4.340 0.007 0.000 0.307 680 L C -0.075 175.764 176.870 -1.718 0.000 1.235 680 L CA -0.138 53.949 54.840 -1.255 0.000 1.056 680 L CB 0.532 42.141 42.059 -0.751 0.000 1.453 680 L HN 0.558 nan 8.230 nan 0.000 0.615 681 M N 1.745 120.459 119.600 -1.475 0.000 2.264 681 M HA 0.296 4.781 4.480 0.007 0.000 0.340 681 M C -1.166 174.623 176.300 -0.851 0.000 1.420 681 M CA 0.406 55.002 55.300 -1.174 0.000 1.254 681 M CB -0.423 31.388 32.600 -1.316 0.000 1.575 681 M HN -0.130 nan 8.290 nan 0.000 0.452 682 F N 3.389 123.127 119.950 -0.354 0.000 2.477 682 F HA 0.529 5.061 4.527 0.008 0.000 0.335 682 F C 0.154 175.940 175.800 -0.023 0.000 1.130 682 F CA -1.094 56.835 58.000 -0.118 0.000 0.948 682 F CB 1.011 39.970 39.000 -0.068 0.000 1.154 682 F HN 0.384 nan 8.300 nan 0.000 0.439 683 M N 4.112 123.886 119.600 0.290 0.000 2.055 683 M HA 0.252 4.737 4.480 0.007 0.000 0.347 683 M C -0.840 175.635 176.300 0.290 0.000 1.123 683 M CA -0.435 55.039 55.300 0.289 0.000 1.035 683 M CB 0.662 33.475 32.600 0.355 0.000 1.484 683 M HN 0.441 nan 8.290 nan 0.000 0.428 684 D N 3.237 123.756 120.400 0.199 0.000 2.304 684 D HA 0.129 4.773 4.640 0.007 0.000 0.250 684 D C 0.316 176.642 176.300 0.043 0.000 1.107 684 D CA -0.171 53.900 54.000 0.119 0.000 0.885 684 D CB 1.141 41.972 40.800 0.053 0.000 1.192 684 D HN 0.338 nan 8.370 nan 0.000 0.436 685 R N 1.988 122.433 120.500 -0.091 0.000 2.538 685 R HA -0.078 4.267 4.340 0.007 0.000 0.282 685 R C 0.323 176.419 176.300 -0.339 0.000 1.009 685 R CA 0.554 56.329 56.100 -0.541 0.000 1.063 685 R CB 0.698 30.715 30.300 -0.472 0.000 0.945 685 R HN 0.507 nan 8.270 nan 0.000 0.414 686 E N 2.806 122.772 120.200 -0.390 0.000 2.175 686 E HA 0.325 4.679 4.350 0.007 0.000 0.193 686 E C -0.658 175.865 176.600 -0.129 0.000 0.962 686 E CA 0.679 56.967 56.400 -0.188 0.000 0.981 686 E CB 0.296 29.913 29.700 -0.139 0.000 1.093 686 E HN 0.703 nan 8.360 nan 0.000 0.483 687 A N 0.716 123.467 122.820 -0.115 0.000 2.337 687 A HA 0.682 5.006 4.320 0.007 0.000 0.329 687 A C -0.877 176.744 177.584 0.062 0.000 1.146 687 A CA -0.538 51.515 52.037 0.027 0.000 0.800 687 A CB 0.587 19.660 19.000 0.122 0.000 1.220 687 A HN 0.290 nan 8.150 nan 0.000 0.472 688 I N 1.819 122.490 120.570 0.168 0.000 2.420 688 I HA 0.569 4.743 4.170 0.007 0.000 0.282 688 I C 0.170 176.577 176.117 0.484 0.000 1.019 688 I CA -0.221 61.253 61.300 0.289 0.000 1.130 688 I CB 1.644 39.789 38.000 0.242 0.000 1.262 688 I HN 0.678 nan 8.210 nan 0.000 0.454 689 A N 4.535 127.675 122.820 0.533 0.000 2.386 689 A HA 1.025 5.349 4.320 0.007 0.000 0.311 689 A C -0.218 177.734 177.584 0.613 0.000 1.068 689 A CA -0.452 51.926 52.037 0.569 0.000 0.743 689 A CB 1.904 21.114 19.000 0.351 0.000 1.258 689 A HN 0.870 nan 8.150 nan 0.000 0.429 690 G N 0.545 109.773 108.800 0.713 0.000 2.340 690 G HA2 0.657 4.621 3.960 0.007 0.000 0.299 690 G HA3 0.657 4.621 3.960 0.007 0.000 0.299 690 G C -3.620 171.594 174.900 0.524 0.000 1.291 690 G CA -0.687 44.598 45.100 0.309 0.000 0.841 690 G HN 0.567 nan 8.290 nan 0.000 0.500 691 P HA 0.455 nan 4.420 nan 0.000 0.281 691 P C -2.701 174.935 177.300 0.561 0.000 1.264 691 P CA -1.740 61.549 63.100 0.315 0.000 0.824 691 P CB 0.617 32.355 31.700 0.062 0.000 1.092 692 P HA 0.144 nan 4.420 nan 0.000 0.274 692 P C 0.029 177.514 177.300 0.307 0.000 1.231 692 P CA -0.235 63.140 63.100 0.459 0.000 0.790 692 P CB 0.357 32.330 31.700 0.454 0.000 0.951 693 L N 1.962 123.357 121.223 0.286 0.000 2.615 693 L HA -0.023 4.321 4.340 0.007 0.000 0.284 693 L C 1.404 178.371 176.870 0.161 0.000 1.237 693 L CA 0.800 55.787 54.840 0.245 0.000 0.905 693 L CB -0.914 41.282 42.059 0.228 0.000 1.149 693 L HN 0.803 nan 8.230 nan 0.000 0.499 694 G N 2.895 111.776 108.800 0.135 0.000 2.412 694 G HA2 -0.272 3.693 3.960 0.007 0.000 0.297 694 G HA3 -0.272 3.693 3.960 0.007 0.000 0.297 694 G C 0.228 175.183 174.900 0.091 0.000 0.965 694 G CA 0.660 45.818 45.100 0.097 0.000 1.134 694 G HN 0.855 nan 8.290 nan 0.000 0.511 695 S N -2.233 113.527 115.700 0.099 0.000 2.600 695 S HA 0.839 5.313 4.470 0.007 0.000 0.300 695 S C 0.564 175.205 174.600 0.069 0.000 1.087 695 S CA 0.254 58.509 58.200 0.092 0.000 0.965 695 S CB 2.099 65.374 63.200 0.124 0.000 1.089 695 S HN 1.362 nan 8.310 nan 0.000 0.496 696 K N 0.490 120.924 120.400 0.057 0.000 2.627 696 K HA 0.471 4.795 4.320 0.007 0.000 0.212 696 K C 0.654 177.277 176.600 0.040 0.000 1.041 696 K CA -0.055 56.256 56.287 0.040 0.000 1.205 696 K CB -0.767 31.751 32.500 0.031 0.000 0.936 696 K HN 1.052 nan 8.250 nan 0.000 0.489 697 G N 0.295 109.127 108.800 0.055 0.000 2.420 697 G HA2 0.447 4.411 3.960 0.007 0.000 0.284 697 G HA3 0.447 4.411 3.960 0.007 0.000 0.284 697 G C 0.865 175.787 174.900 0.037 0.000 1.177 697 G CA -0.297 44.839 45.100 0.060 0.000 0.841 697 G HN 0.673 nan 8.290 nan 0.000 0.527 698 I N -0.013 120.584 120.570 0.045 0.000 3.578 698 I HA 0.326 4.500 4.170 0.007 0.000 0.295 698 I C 1.571 177.720 176.117 0.053 0.000 1.280 698 I CA 0.556 61.880 61.300 0.039 0.000 1.347 698 I CB 0.003 38.036 38.000 0.055 0.000 1.051 698 I HN 0.787 nan 8.210 nan 0.000 0.460 699 G N 1.483 110.324 108.800 0.069 0.000 5.452 699 G HA2 -0.250 3.715 3.960 0.007 0.000 0.310 699 G HA3 -0.250 3.715 3.960 0.007 0.000 0.310 699 G C 0.459 175.443 174.900 0.139 0.000 1.392 699 G CA 0.018 45.168 45.100 0.083 0.000 0.942 699 G HN 1.015 nan 8.290 nan 0.000 0.776 700 G N -0.894 108.027 108.800 0.203 0.000 2.766 700 G HA2 0.950 4.914 3.960 0.007 0.000 0.288 700 G HA3 0.950 4.914 3.960 0.007 0.000 0.288 700 G C -1.037 174.107 174.900 0.407 0.000 1.408 700 G CA -0.002 45.234 45.100 0.228 0.000 0.852 700 G HN 1.849 nan 8.290 nan 0.000 0.487 701 F N -2.372 117.695 119.950 0.196 0.000 2.672 701 F HA 0.653 5.184 4.527 0.007 0.000 0.311 701 F C -1.869 174.048 175.800 0.195 0.000 1.113 701 F CA -2.153 56.024 58.000 0.295 0.000 0.996 701 F CB 1.118 40.184 39.000 0.111 0.000 1.286 701 F HN 0.527 nan 8.300 nan 0.000 0.441 702 W N 3.226 124.696 121.300 0.283 0.000 2.551 702 W HA 0.364 5.029 4.660 0.007 0.000 0.330 702 W C 0.583 177.238 176.519 0.226 0.000 1.063 702 W CA -0.051 57.340 57.345 0.077 0.000 1.222 702 W CB 2.683 32.084 29.460 -0.098 0.000 1.349 702 W HN 0.921 nan 8.180 nan 0.000 0.536 703 T N -0.176 114.553 114.554 0.293 0.000 3.046 703 T HA 0.380 4.734 4.350 0.007 0.000 0.242 703 T C 0.613 175.435 174.700 0.204 0.000 1.018 703 T CA 0.983 63.246 62.100 0.272 0.000 1.131 703 T CB 0.783 69.815 68.868 0.275 0.000 0.904 703 T HN 0.497 nan 8.240 nan 0.000 0.459 704 G N 0.290 109.193 108.800 0.171 0.000 2.570 704 G HA2 0.479 4.443 3.960 0.007 0.000 0.310 704 G HA3 0.479 4.443 3.960 0.007 0.000 0.310 704 G C -1.730 173.262 174.900 0.153 0.000 1.266 704 G CA -1.173 44.020 45.100 0.155 0.000 0.825 704 G HN 0.307 nan 8.290 nan 0.000 0.483 705 K N 1.234 121.739 120.400 0.174 0.000 2.550 705 K HA 0.109 4.433 4.320 0.007 0.000 0.280 705 K C 0.165 176.877 176.600 0.188 0.000 0.987 705 K CA 0.778 57.215 56.287 0.250 0.000 1.048 705 K CB 0.238 32.858 32.500 0.200 0.000 0.879 705 K HN 0.542 nan 8.250 nan 0.000 0.491 706 K N 0.887 121.454 120.400 0.279 0.000 3.274 706 K HA -0.249 4.076 4.320 0.007 0.000 0.300 706 K C -0.514 176.093 176.600 0.011 0.000 1.230 706 K CA 1.183 57.584 56.287 0.190 0.000 0.884 706 K CB -1.065 31.509 32.500 0.124 0.000 1.242 706 K HN 0.646 nan 8.250 nan 0.000 0.467 707 R N 0.182 120.659 120.500 -0.038 0.000 2.625 707 R HA 0.307 4.651 4.340 0.007 0.000 0.286 707 R C -1.100 174.955 176.300 -0.409 0.000 1.406 707 R CA -0.631 55.345 56.100 -0.207 0.000 1.052 707 R CB 0.941 31.205 30.300 -0.060 0.000 1.203 707 R HN 0.232 nan 8.270 nan 0.000 0.502 708 Y N -0.840 118.941 120.300 -0.865 0.000 2.624 708 Y HA 0.807 5.362 4.550 0.007 0.000 0.334 708 Y C -1.788 173.381 175.900 -1.217 0.000 1.155 708 Y CA -1.336 55.927 58.100 -1.394 0.000 1.046 708 Y CB 1.251 38.155 38.460 -2.594 0.000 1.316 708 Y HN 0.384 nan 8.280 nan 0.000 0.457 709 A N 2.878 124.901 122.820 -1.329 0.000 2.435 709 A HA 0.916 5.240 4.320 0.007 0.000 0.304 709 A C -1.842 175.370 177.584 -0.621 0.000 1.064 709 A CA -0.889 50.576 52.037 -0.954 0.000 0.727 709 A CB 1.434 19.859 19.000 -0.959 0.000 1.284 709 A HN 0.814 nan 8.150 nan 0.000 0.415 710 L N 0.690 121.720 121.223 -0.322 0.000 2.376 710 L HA 0.494 4.838 4.340 0.007 0.000 0.258 710 L C -0.648 176.171 176.870 -0.085 0.000 1.013 710 L CA -0.964 53.815 54.840 -0.103 0.000 0.822 710 L CB 2.554 44.644 42.059 0.052 0.000 1.388 710 L HN 0.804 nan 8.230 nan 0.000 0.413 711 N N 0.615 119.303 118.700 -0.020 0.000 2.501 711 N HA 0.471 5.215 4.740 0.007 0.000 0.245 711 N C -1.365 174.051 175.510 -0.157 0.000 0.974 711 N CA -0.277 52.700 53.050 -0.120 0.000 0.941 711 N CB 1.274 39.717 38.487 -0.074 0.000 1.122 711 N HN 0.270 nan 8.380 nan 0.000 0.507 712 V N 3.801 123.566 119.914 -0.248 0.000 2.472 712 V HA 0.331 4.456 4.120 0.007 0.000 0.290 712 V C 0.045 175.992 176.094 -0.245 0.000 1.037 712 V CA -0.436 61.813 62.300 -0.085 0.000 0.908 712 V CB 1.390 33.242 31.823 0.048 0.000 0.985 712 V HN 0.800 nan 8.190 nan 0.000 0.454 713 W N 0.293 121.714 121.300 0.201 0.000 2.842 713 W HA 0.328 4.993 4.660 0.007 0.000 0.267 713 W C 0.588 177.204 176.519 0.162 0.000 1.219 713 W CA -0.091 57.351 57.345 0.161 0.000 1.458 713 W CB 0.700 30.154 29.460 -0.009 0.000 1.006 713 W HN 0.464 nan 8.180 nan 0.000 0.603 714 D N 0.601 121.184 120.400 0.305 0.000 2.855 714 D HA 0.231 4.876 4.640 0.007 0.000 0.241 714 D C -1.468 174.865 176.300 0.055 0.000 1.277 714 D CA -0.399 53.639 54.000 0.063 0.000 0.918 714 D CB 1.537 42.351 40.800 0.023 0.000 1.462 714 D HN -0.193 nan 8.370 nan 0.000 0.559 715 M N 3.447 123.010 119.600 -0.061 0.000 2.125 715 M HA 0.282 4.767 4.480 0.007 0.000 0.321 715 M C -0.476 175.770 176.300 -0.090 0.000 0.983 715 M CA 0.057 55.357 55.300 -0.001 0.000 0.934 715 M CB 0.795 33.486 32.600 0.151 0.000 1.542 715 M HN 0.367 nan 8.290 nan 0.000 0.424 716 E N 4.019 124.171 120.200 -0.079 0.000 2.246 716 E HA -0.225 4.130 4.350 0.007 0.000 0.173 716 E C 0.784 177.320 176.600 -0.106 0.000 1.532 716 E CA 0.959 57.306 56.400 -0.089 0.000 0.672 716 E CB -1.532 28.128 29.700 -0.066 0.000 1.078 716 E HN 1.308 nan 8.360 nan 0.000 0.338 717 G N 1.003 109.738 108.800 -0.110 0.000 2.175 717 G HA2 -0.370 3.594 3.960 0.007 0.000 0.265 717 G HA3 -0.370 3.594 3.960 0.007 0.000 0.265 717 G C 0.308 175.121 174.900 -0.146 0.000 0.979 717 G CA 0.879 45.913 45.100 -0.109 0.000 0.663 717 G HN 0.408 nan 8.290 nan 0.000 0.533 718 T N 0.076 114.498 114.554 -0.220 0.000 2.743 718 T HA 0.549 4.903 4.350 0.007 0.000 0.292 718 T C 0.256 174.695 174.700 -0.434 0.000 0.972 718 T CA -0.487 61.412 62.100 -0.336 0.000 0.967 718 T CB 1.730 70.318 68.868 -0.467 0.000 0.926 718 T HN 0.307 nan 8.240 nan 0.000 0.459 719 R N 3.251 123.582 120.500 -0.281 0.000 2.825 719 R HA 0.276 4.621 4.340 0.007 0.000 0.261 719 R C -0.972 175.267 176.300 -0.103 0.000 1.341 719 R CA -0.819 55.181 56.100 -0.166 0.000 1.353 719 R CB -1.081 29.174 30.300 -0.075 0.000 1.191 719 R HN 0.526 nan 8.270 nan 0.000 0.590 720 Y N 1.116 121.437 120.300 0.036 0.000 2.904 720 Y HA -0.110 4.444 4.550 0.007 0.000 0.336 720 Y C 1.670 177.606 175.900 0.060 0.000 1.263 720 Y CA 0.776 58.893 58.100 0.029 0.000 1.547 720 Y CB 0.321 38.781 38.460 0.001 0.000 1.272 720 Y HN 0.617 nan 8.280 nan 0.000 0.596 721 A N 1.824 124.767 122.820 0.205 0.000 2.066 721 A HA -0.043 4.281 4.320 0.007 0.000 0.218 721 A C 0.616 178.313 177.584 0.188 0.000 1.157 721 A CA 0.955 53.077 52.037 0.142 0.000 0.670 721 A CB -0.202 18.841 19.000 0.072 0.000 0.804 721 A HN 0.698 nan 8.150 nan 0.000 0.453 722 E N 0.123 120.421 120.200 0.164 0.000 2.210 722 E HA 0.422 4.776 4.350 0.007 0.000 0.266 722 E C -2.839 173.727 176.600 -0.058 0.000 0.883 722 E CA -2.818 53.625 56.400 0.072 0.000 0.761 722 E CB 1.891 31.601 29.700 0.017 0.000 1.156 722 E HN 0.048 nan 8.360 nan 0.000 0.412 723 P HA 0.037 nan 4.420 nan 0.000 0.265 723 P C -0.955 176.053 177.300 -0.488 0.000 1.193 723 P CA 0.081 62.811 63.100 -0.617 0.000 0.765 723 P CB 0.585 31.551 31.700 -1.223 0.000 0.823 724 K N 2.515 122.578 120.400 -0.562 0.000 2.221 724 K HA 0.452 4.776 4.320 0.007 0.000 0.258 724 K C -0.125 176.246 176.600 -0.382 0.000 0.944 724 K CA -0.842 55.136 56.287 -0.515 0.000 0.823 724 K CB 1.202 33.234 32.500 -0.780 0.000 1.113 724 K HN 0.412 nan 8.250 nan 0.000 0.431 725 L N 3.116 124.163 121.223 -0.294 0.000 2.367 725 L HA 0.231 4.575 4.340 0.007 0.000 0.275 725 L C 0.046 176.786 176.870 -0.217 0.000 1.129 725 L CA -0.251 54.447 54.840 -0.236 0.000 0.839 725 L CB 0.516 42.451 42.059 -0.206 0.000 1.133 725 L HN 0.447 nan 8.230 nan 0.000 0.453 726 K N 4.817 125.103 120.400 -0.190 0.000 2.316 726 K HA 0.572 4.896 4.320 0.007 0.000 0.267 726 K C -1.119 175.307 176.600 -0.290 0.000 1.025 726 K CA -0.152 56.032 56.287 -0.172 0.000 0.896 726 K CB 0.617 33.083 32.500 -0.057 0.000 1.124 726 K HN 0.462 nan 8.250 nan 0.000 0.451 727 I N 4.578 124.948 120.570 -0.333 0.000 2.433 727 I HA 0.390 4.564 4.170 0.007 0.000 0.292 727 I C -0.877 174.933 176.117 -0.513 0.000 1.001 727 I CA -1.110 59.902 61.300 -0.479 0.000 1.119 727 I CB 1.831 39.599 38.000 -0.387 0.000 1.289 727 I HN 0.489 nan 8.210 nan 0.000 0.438 728 M N 4.203 123.320 119.600 -0.805 0.000 2.253 728 M HA 0.544 5.028 4.480 0.007 0.000 0.314 728 M C 0.624 176.572 176.300 -0.587 0.000 1.019 728 M CA -0.430 54.425 55.300 -0.742 0.000 0.932 728 M CB 1.208 33.084 32.600 -1.207 0.000 1.606 728 M HN 0.818 nan 8.290 nan 0.000 0.430 729 G N 2.647 111.254 108.800 -0.321 0.000 2.458 729 G HA2 -0.232 3.732 3.960 0.007 0.000 0.237 729 G HA3 -0.232 3.732 3.960 0.007 0.000 0.237 729 G C 0.175 174.984 174.900 -0.153 0.000 1.113 729 G CA 0.232 45.212 45.100 -0.199 0.000 0.655 729 G HN 0.628 nan 8.290 nan 0.000 0.513 730 L N 1.722 122.809 121.223 -0.227 0.000 2.482 730 L HA 0.190 4.534 4.340 0.007 0.000 0.273 730 L C 2.160 179.019 176.870 -0.019 0.000 1.228 730 L CA 0.188 54.952 54.840 -0.128 0.000 0.827 730 L CB 0.250 42.074 42.059 -0.392 0.000 1.099 730 L HN 0.373 nan 8.230 nan 0.000 0.494 731 E N 0.380 120.659 120.200 0.132 0.000 2.273 731 E HA -0.216 4.138 4.350 0.007 0.000 0.198 731 E C 1.740 178.378 176.600 0.064 0.000 1.002 731 E CA 1.679 58.138 56.400 0.097 0.000 0.828 731 E CB -0.925 28.843 29.700 0.113 0.000 0.747 731 E HN 0.917 nan 8.360 nan 0.000 0.491 732 T N -0.356 114.231 114.554 0.055 0.000 2.778 732 T HA -0.216 4.139 4.350 0.007 0.000 0.269 732 T C 1.659 176.354 174.700 -0.008 0.000 1.050 732 T CA 1.474 63.586 62.100 0.019 0.000 1.137 732 T CB -0.156 68.695 68.868 -0.029 0.000 0.860 732 T HN 0.015 nan 8.240 nan 0.000 0.468 733 Q N 0.695 120.472 119.800 -0.039 0.000 2.360 733 Q HA 0.321 4.665 4.340 0.007 0.000 0.202 733 Q C -0.031 175.958 176.000 -0.019 0.000 0.915 733 Q CA 0.406 56.183 55.803 -0.043 0.000 0.943 733 Q CB 0.313 28.994 28.738 -0.094 0.000 1.064 733 Q HN 0.567 nan 8.270 nan 0.000 0.511 734 K N -0.383 120.013 120.400 -0.006 0.000 2.235 734 K HA 0.232 4.556 4.320 0.007 0.000 0.266 734 K C 0.621 177.220 176.600 -0.001 0.000 0.980 734 K CA -0.037 56.247 56.287 -0.006 0.000 0.849 734 K CB 1.626 34.122 32.500 -0.007 0.000 1.098 734 K HN 0.015 nan 8.250 nan 0.000 0.445 735 S N 0.323 116.014 115.700 -0.015 0.000 2.547 735 S HA -0.140 4.335 4.470 0.007 0.000 0.235 735 S C 1.614 176.190 174.600 -0.040 0.000 0.980 735 S CA 1.239 59.422 58.200 -0.028 0.000 0.941 735 S CB -0.259 62.909 63.200 -0.053 0.000 0.763 735 S HN 0.612 nan 8.310 nan 0.000 0.532 736 S N 0.531 116.210 115.700 -0.036 0.000 2.446 736 S HA 0.051 4.526 4.470 0.007 0.000 0.225 736 S C 0.813 175.411 174.600 -0.004 0.000 1.016 736 S CA 0.125 58.300 58.200 -0.042 0.000 0.943 736 S CB -0.965 62.202 63.200 -0.056 0.000 0.786 736 S HN 0.431 nan 8.310 nan 0.000 0.508 737 T N 4.978 119.543 114.554 0.018 0.000 2.870 737 T HA 0.332 4.687 4.350 0.007 0.000 0.300 737 T C -2.623 172.119 174.700 0.070 0.000 0.989 737 T CA -0.893 61.237 62.100 0.051 0.000 1.139 737 T CB 0.763 69.668 68.868 0.061 0.000 0.920 737 T HN 0.189 nan 8.240 nan 0.000 0.537 738 P HA 0.138 nan 4.420 nan 0.000 0.267 738 P C 0.724 178.083 177.300 0.099 0.000 1.200 738 P CA -0.326 62.830 63.100 0.094 0.000 0.772 738 P CB 0.667 32.438 31.700 0.117 0.000 0.855 739 K N 3.479 123.927 120.400 0.080 0.000 1.991 739 K HA -0.191 4.134 4.320 0.007 0.000 0.212 739 K C 1.987 178.642 176.600 0.091 0.000 1.049 739 K CA 2.299 58.637 56.287 0.085 0.000 0.932 739 K CB -1.130 31.416 32.500 0.076 0.000 0.717 739 K HN 0.474 nan 8.250 nan 0.000 0.441 740 A N -0.153 122.721 122.820 0.090 0.000 1.972 740 A HA -0.107 4.218 4.320 0.007 0.000 0.219 740 A C 2.264 179.953 177.584 0.176 0.000 1.169 740 A CA 1.725 53.838 52.037 0.127 0.000 0.635 740 A CB -0.589 18.478 19.000 0.113 0.000 0.810 740 A HN 0.145 nan 8.150 nan 0.000 0.446 741 V N -0.018 120.014 119.914 0.197 0.000 2.548 741 V HA -0.275 3.850 4.120 0.007 0.000 0.249 741 V C 2.557 178.749 176.094 0.163 0.000 1.055 741 V CA 2.019 64.454 62.300 0.225 0.000 1.065 741 V CB -0.826 31.178 31.823 0.303 0.000 0.681 741 V HN 0.651 nan 8.190 nan 0.000 0.462 742 Q N -0.034 119.841 119.800 0.126 0.000 2.084 742 Q HA -0.246 4.098 4.340 0.007 0.000 0.202 742 Q C 2.339 178.385 176.000 0.076 0.000 0.978 742 Q CA 1.515 57.375 55.803 0.096 0.000 0.844 742 Q CB -0.241 28.544 28.738 0.078 0.000 0.898 742 Q HN 0.538 nan 8.270 nan 0.000 0.426 743 K N 0.406 120.851 120.400 0.075 0.000 2.097 743 K HA -0.113 4.212 4.320 0.007 0.000 0.205 743 K C 2.001 178.636 176.600 0.058 0.000 1.050 743 K CA 1.003 57.327 56.287 0.061 0.000 0.938 743 K CB -0.021 32.525 32.500 0.076 0.000 0.718 743 K HN 0.163 nan 8.250 nan 0.000 0.442 744 A N 1.129 123.966 122.820 0.029 0.000 1.854 744 A HA -0.067 4.257 4.320 0.007 0.000 0.214 744 A C 2.044 179.718 177.584 0.150 0.000 1.192 744 A CA 0.893 52.908 52.037 -0.036 0.000 0.611 744 A CB -0.608 17.917 19.000 -0.791 0.000 0.832 744 A HN 0.257 nan 8.150 nan 0.000 0.442 745 L N -0.470 120.866 121.223 0.187 0.000 2.187 745 L HA -0.214 4.130 4.340 0.007 0.000 0.213 745 L C 2.632 179.578 176.870 0.126 0.000 1.100 745 L CA 1.676 56.627 54.840 0.185 0.000 0.765 745 L CB -0.344 41.843 42.059 0.212 0.000 0.904 745 L HN 0.424 nan 8.230 nan 0.000 0.437 746 K N 0.015 120.451 120.400 0.061 0.000 2.031 746 K HA -0.209 4.116 4.320 0.007 0.000 0.205 746 K C 2.072 178.643 176.600 -0.048 0.000 1.049 746 K CA 1.254 57.535 56.287 -0.009 0.000 0.939 746 K CB 0.123 32.608 32.500 -0.025 0.000 0.717 746 K HN 0.047 nan 8.250 nan 0.000 0.438 747 E N 0.680 120.835 120.200 -0.075 0.000 2.204 747 E HA -0.144 4.211 4.350 0.007 0.000 0.195 747 E C 1.742 178.195 176.600 -0.245 0.000 0.990 747 E CA 1.160 57.415 56.400 -0.243 0.000 0.821 747 E CB -0.340 29.071 29.700 -0.482 0.000 0.750 747 E HN 0.296 nan 8.360 nan 0.000 0.477 748 C N -0.293 118.974 119.300 -0.056 0.000 2.436 748 C HA -0.040 4.425 4.460 0.007 0.000 0.277 748 C C 2.606 177.619 174.990 0.039 0.000 1.241 748 C CA 0.754 59.806 59.018 0.057 0.000 1.721 748 C CB -1.011 26.831 27.740 0.170 0.000 2.043 748 C HN 0.461 nan 8.230 nan 0.000 0.472 749 I N 0.357 120.954 120.570 0.045 0.000 2.226 749 I HA -0.194 3.980 4.170 0.007 0.000 0.245 749 I C 2.834 178.961 176.117 0.016 0.000 1.100 749 I CA 1.356 62.693 61.300 0.061 0.000 1.374 749 I CB -0.566 37.443 38.000 0.015 0.000 1.057 749 I HN 0.300 nan 8.210 nan 0.000 0.413 750 R N 0.982 121.456 120.500 -0.044 0.000 2.127 750 R HA -0.169 4.176 4.340 0.007 0.000 0.238 750 R C 2.377 178.651 176.300 -0.043 0.000 1.134 750 R CA 1.472 57.532 56.100 -0.066 0.000 0.975 750 R CB -0.060 30.177 30.300 -0.105 0.000 0.865 750 R HN 0.307 nan 8.270 nan 0.000 0.447 751 R N -0.439 120.034 120.500 -0.045 0.000 2.075 751 R HA 0.024 4.368 4.340 0.007 0.000 0.226 751 R C 2.411 178.726 176.300 0.025 0.000 1.114 751 R CA 1.585 57.674 56.100 -0.018 0.000 0.972 751 R CB -0.107 30.176 30.300 -0.028 0.000 0.869 751 R HN 0.226 nan 8.270 nan 0.000 0.437 752 M N 0.304 119.925 119.600 0.036 0.000 2.117 752 M HA -0.164 4.320 4.480 0.007 0.000 0.262 752 M C 1.936 178.270 176.300 0.058 0.000 1.065 752 M CA 1.725 57.049 55.300 0.040 0.000 1.114 752 M CB -0.194 32.419 32.600 0.022 0.000 1.361 752 M HN 0.132 nan 8.290 nan 0.000 0.408 753 L N -1.226 120.039 121.223 0.071 0.000 2.307 753 L HA -0.057 4.288 4.340 0.007 0.000 0.211 753 L C 2.232 179.150 176.870 0.080 0.000 1.099 753 L CA 0.721 55.611 54.840 0.085 0.000 0.816 753 L CB -0.437 41.668 42.059 0.077 0.000 0.952 753 L HN 0.327 nan 8.230 nan 0.000 0.455 754 Q N -0.567 119.271 119.800 0.063 0.000 2.394 754 Q HA 0.016 4.360 4.340 0.007 0.000 0.218 754 Q C 1.442 177.499 176.000 0.095 0.000 0.907 754 Q CA 0.593 56.450 55.803 0.091 0.000 0.919 754 Q CB 0.643 29.412 28.738 0.052 0.000 1.051 754 Q HN 0.518 nan 8.270 nan 0.000 0.538 755 E N -0.746 119.494 120.200 0.066 0.000 2.419 755 E HA 0.332 4.687 4.350 0.007 0.000 0.197 755 E C 0.613 177.246 176.600 0.055 0.000 0.920 755 E CA 0.459 56.896 56.400 0.063 0.000 1.085 755 E CB 1.178 30.909 29.700 0.051 0.000 1.084 755 E HN 0.190 nan 8.360 nan 0.000 0.490 756 G N 1.095 109.924 108.800 0.048 0.000 2.346 756 G HA2 -0.176 3.788 3.960 0.007 0.000 0.294 756 G HA3 -0.176 3.788 3.960 0.007 0.000 0.294 756 G C -0.026 174.897 174.900 0.039 0.000 1.294 756 G CA -0.103 45.020 45.100 0.039 0.000 0.962 756 G HN 0.114 nan 8.290 nan 0.000 0.508 757 E N -0.361 119.854 120.200 0.025 0.000 2.097 757 E HA -0.182 4.173 4.350 0.007 0.000 0.196 757 E C 2.014 178.639 176.600 0.043 0.000 1.000 757 E CA 1.853 58.266 56.400 0.022 0.000 0.804 757 E CB -0.095 29.604 29.700 -0.001 0.000 0.740 757 E HN 0.520 nan 8.360 nan 0.000 0.454 758 E N 0.071 120.296 120.200 0.041 0.000 2.033 758 E HA -0.212 4.143 4.350 0.007 0.000 0.199 758 E C 2.160 178.810 176.600 0.084 0.000 1.011 758 E CA 1.377 57.809 56.400 0.053 0.000 0.815 758 E CB -0.364 29.362 29.700 0.043 0.000 0.755 758 E HN 0.152 nan 8.360 nan 0.000 0.451 759 S N 0.689 116.439 115.700 0.084 0.000 2.383 759 S HA -0.127 4.348 4.470 0.007 0.000 0.229 759 S C 2.039 176.736 174.600 0.162 0.000 1.030 759 S CA 0.684 58.949 58.200 0.108 0.000 1.002 759 S CB -0.232 63.014 63.200 0.077 0.000 0.829 759 S HN 0.240 nan 8.310 nan 0.000 0.467 760 L N 0.901 122.213 121.223 0.149 0.000 1.955 760 L HA -0.221 4.124 4.340 0.007 0.000 0.213 760 L C 2.657 179.710 176.870 0.305 0.000 1.072 760 L CA 2.186 57.152 54.840 0.209 0.000 0.755 760 L CB -0.741 41.405 42.059 0.144 0.000 0.888 760 L HN 0.469 nan 8.230 nan 0.000 0.432 761 Q N -0.529 119.410 119.800 0.231 0.000 2.096 761 Q HA -0.304 4.040 4.340 0.007 0.000 0.204 761 Q C 2.007 178.191 176.000 0.306 0.000 0.982 761 Q CA 2.009 57.971 55.803 0.264 0.000 0.850 761 Q CB -0.233 28.589 28.738 0.140 0.000 0.901 761 Q HN 0.533 nan 8.270 nan 0.000 0.422 762 E N -0.033 120.306 120.200 0.232 0.000 2.049 762 E HA -0.268 4.086 4.350 0.007 0.000 0.198 762 E C 1.760 178.513 176.600 0.254 0.000 1.007 762 E CA 1.401 57.925 56.400 0.207 0.000 0.809 762 E CB -0.131 29.673 29.700 0.174 0.000 0.749 762 E HN 0.431 nan 8.360 nan 0.000 0.450 763 Y N -0.340 120.073 120.300 0.187 0.000 2.286 763 Y HA -0.138 4.416 4.550 0.008 0.000 0.293 763 Y C 1.882 177.934 175.900 0.255 0.000 1.124 763 Y CA 1.416 59.630 58.100 0.189 0.000 1.178 763 Y CB -0.346 38.216 38.460 0.170 0.000 1.010 763 Y HN 0.160 nan 8.280 nan 0.000 0.536 764 F N 1.203 121.322 119.950 0.282 0.000 2.095 764 F HA -0.215 4.316 4.527 0.007 0.000 0.298 764 F C 2.389 178.294 175.800 0.175 0.000 1.104 764 F CA 2.323 60.489 58.000 0.278 0.000 1.232 764 F CB -0.511 38.691 39.000 0.338 0.000 0.987 764 F HN -0.083 nan 8.300 nan 0.000 0.475 765 K N -0.115 120.382 120.400 0.160 0.000 2.063 765 K HA -0.268 4.057 4.320 0.007 0.000 0.208 765 K C 2.135 178.660 176.600 -0.124 0.000 1.048 765 K CA 1.798 58.096 56.287 0.017 0.000 0.928 765 K CB -0.242 32.340 32.500 0.137 0.000 0.713 765 K HN 0.262 nan 8.250 nan 0.000 0.442 766 E N 0.069 120.201 120.200 -0.114 0.000 2.051 766 E HA -0.183 4.171 4.350 0.007 0.000 0.192 766 E C 1.639 178.087 176.600 -0.253 0.000 0.991 766 E CA 1.295 57.596 56.400 -0.164 0.000 0.799 766 E CB -0.321 29.287 29.700 -0.152 0.000 0.748 766 E HN 0.288 nan 8.360 nan 0.000 0.449 767 F N 1.824 121.464 119.950 -0.517 0.000 2.069 767 F HA -0.213 4.319 4.527 0.007 0.000 0.298 767 F C 2.129 177.688 175.800 -0.401 0.000 1.113 767 F CA 2.353 60.042 58.000 -0.517 0.000 1.214 767 F CB -0.461 38.149 39.000 -0.650 0.000 0.978 767 F HN 0.205 nan 8.300 nan 0.000 0.474 768 E N -0.367 119.542 120.200 -0.485 0.000 2.153 768 E HA -0.210 4.144 4.350 0.007 0.000 0.194 768 E C 2.181 178.595 176.600 -0.309 0.000 0.988 768 E CA 1.045 57.172 56.400 -0.455 0.000 0.811 768 E CB -0.493 28.932 29.700 -0.457 0.000 0.746 768 E HN 0.237 nan 8.360 nan 0.000 0.466 769 K N 0.617 120.856 120.400 -0.268 0.000 2.032 769 K HA -0.141 4.183 4.320 0.007 0.000 0.209 769 K C 1.827 178.308 176.600 -0.200 0.000 1.048 769 K CA 1.467 57.642 56.287 -0.186 0.000 0.927 769 K CB 0.040 32.454 32.500 -0.144 0.000 0.712 769 K HN 0.255 nan 8.250 nan 0.000 0.441 770 E N -0.639 119.398 120.200 -0.273 0.000 2.400 770 E HA -0.055 4.300 4.350 0.007 0.000 0.195 770 E C 1.653 178.058 176.600 -0.325 0.000 1.012 770 E CA -0.113 56.126 56.400 -0.268 0.000 0.875 770 E CB -0.270 29.282 29.700 -0.247 0.000 0.859 770 E HN 0.209 nan 8.360 nan 0.000 0.498 771 F N 3.201 122.776 119.950 -0.625 0.000 2.063 771 F HA -0.329 4.203 4.527 0.007 0.000 0.297 771 F C 2.075 177.715 175.800 -0.268 0.000 1.099 771 F CA 1.981 59.611 58.000 -0.617 0.000 1.220 771 F CB 0.073 38.709 39.000 -0.607 0.000 0.972 771 F HN -0.084 nan 8.300 nan 0.000 0.487 772 R N -0.256 120.181 120.500 -0.106 0.000 2.293 772 R HA -0.133 4.211 4.340 0.007 0.000 0.219 772 R C 1.759 177.876 176.300 -0.305 0.000 1.091 772 R CA 0.920 56.824 56.100 -0.327 0.000 1.004 772 R CB -0.452 29.564 30.300 -0.473 0.000 0.865 772 R HN 0.469 nan 8.270 nan 0.000 0.469 773 Q N 0.428 120.085 119.800 -0.239 0.000 2.398 773 Q HA 0.134 4.478 4.340 0.007 0.000 0.204 773 Q C 0.945 176.862 176.000 -0.138 0.000 0.932 773 Q CA 0.322 56.023 55.803 -0.169 0.000 0.916 773 Q CB 0.107 28.755 28.738 -0.151 0.000 1.024 773 Q HN 0.320 nan 8.270 nan 0.000 0.504 774 L N 1.798 122.894 121.223 -0.213 0.000 2.473 774 L HA 0.001 4.345 4.340 0.007 0.000 0.268 774 L C 0.724 177.536 176.870 -0.097 0.000 1.215 774 L CA -0.351 54.373 54.840 -0.193 0.000 0.823 774 L CB 0.081 41.941 42.059 -0.332 0.000 1.099 774 L HN 0.046 nan 8.230 nan 0.000 0.483 775 N N 0.134 118.785 118.700 -0.081 0.000 2.468 775 N HA -0.066 4.679 4.740 0.007 0.000 0.265 775 N C 0.739 176.200 175.510 -0.081 0.000 1.199 775 N CA -0.080 52.944 53.050 -0.044 0.000 0.928 775 N CB 0.532 38.965 38.487 -0.090 0.000 1.059 775 N HN 0.443 nan 8.380 nan 0.000 0.467 776 Y N 3.644 123.902 120.300 -0.070 0.000 2.139 776 Y HA -0.218 4.336 4.550 0.008 0.000 0.282 776 Y C 1.458 177.311 175.900 -0.077 0.000 1.179 776 Y CA 1.291 59.346 58.100 -0.077 0.000 1.161 776 Y CB -0.654 37.776 38.460 -0.051 0.000 0.970 776 Y HN 0.570 nan 8.280 nan 0.000 0.511 777 I N 1.179 121.204 120.570 -0.908 0.000 2.163 777 I HA -0.312 3.862 4.170 0.007 0.000 0.243 777 I C 2.778 178.628 176.117 -0.446 0.000 1.085 777 I CA 1.994 62.819 61.300 -0.791 0.000 1.347 777 I CB -0.671 36.842 38.000 -0.812 0.000 1.044 777 I HN 0.517 nan 8.210 nan 0.000 0.408 778 S N 1.327 116.858 115.700 -0.282 0.000 2.469 778 S HA -0.102 4.373 4.470 0.007 0.000 0.238 778 S C 1.583 176.135 174.600 -0.080 0.000 0.998 778 S CA 0.949 59.068 58.200 -0.136 0.000 0.957 778 S CB -0.678 62.465 63.200 -0.094 0.000 0.764 778 S HN 0.665 nan 8.310 nan 0.000 0.514 779 I N -1.891 118.615 120.570 -0.106 0.000 4.009 779 I HA 0.636 4.811 4.170 0.007 0.000 0.331 779 I C 0.456 176.580 176.117 0.012 0.000 1.462 779 I CA -0.849 60.432 61.300 -0.032 0.000 1.117 779 I CB 0.187 38.108 38.000 -0.132 0.000 1.091 779 I HN 0.225 nan 8.210 nan 0.000 0.410 780 A N 1.129 123.923 122.820 -0.043 0.000 2.316 780 A HA 0.716 5.041 4.320 0.007 0.000 0.284 780 A C 0.425 178.040 177.584 0.052 0.000 1.115 780 A CA -0.205 51.833 52.037 0.002 0.000 0.812 780 A CB 0.502 19.436 19.000 -0.111 0.000 1.064 780 A HN 0.387 nan 8.150 nan 0.000 0.489 781 S N -0.243 115.504 115.700 0.077 0.000 2.617 781 S HA 0.527 5.001 4.470 0.007 0.000 0.269 781 S C -0.083 174.540 174.600 0.038 0.000 1.292 781 S CA -0.549 57.690 58.200 0.064 0.000 1.010 781 S CB 1.194 64.435 63.200 0.069 0.000 0.944 781 S HN 0.614 nan 8.310 nan 0.000 0.536 782 V N 1.026 120.927 119.914 -0.022 0.000 2.680 782 V HA 0.804 4.928 4.120 0.007 0.000 0.309 782 V C 0.087 176.086 176.094 -0.157 0.000 1.052 782 V CA -0.472 61.750 62.300 -0.130 0.000 0.908 782 V CB 1.870 33.589 31.823 -0.174 0.000 1.001 782 V HN 0.854 nan 8.190 nan 0.000 0.431 783 S N 1.418 116.994 115.700 -0.206 0.000 2.705 783 S HA 0.700 5.174 4.470 0.007 0.000 0.280 783 S C -0.848 173.637 174.600 -0.192 0.000 1.174 783 S CA -0.442 57.607 58.200 -0.252 0.000 0.823 783 S CB 2.254 65.201 63.200 -0.421 0.000 1.162 783 S HN 0.716 nan 8.310 nan 0.000 0.487 784 S N 1.462 117.060 115.700 -0.169 0.000 2.475 784 S HA 0.620 5.095 4.470 0.007 0.000 0.298 784 S C -0.194 174.463 174.600 0.095 0.000 1.119 784 S CA -0.431 57.737 58.200 -0.053 0.000 1.085 784 S CB 1.432 64.601 63.200 -0.051 0.000 1.028 784 S HN 0.877 nan 8.310 nan 0.000 0.489 785 A N 3.967 126.814 122.820 0.044 0.000 3.026 785 A HA 0.234 4.559 4.320 0.007 0.000 0.272 785 A C 0.160 177.788 177.584 0.073 0.000 1.782 785 A CA -0.363 51.714 52.037 0.066 0.000 1.451 785 A CB -0.909 18.091 19.000 0.001 0.000 1.081 785 A HN 0.839 nan 8.150 nan 0.000 0.611 786 N N 0.696 119.469 118.700 0.122 0.000 2.399 786 N HA 0.330 5.075 4.740 0.007 0.000 0.295 786 N C -0.224 175.357 175.510 0.118 0.000 1.048 786 N CA -0.745 52.367 53.050 0.102 0.000 0.886 786 N CB 0.766 39.316 38.487 0.105 0.000 1.185 786 N HN 0.601 nan 8.380 nan 0.000 0.487 787 N N 0.598 119.349 118.700 0.084 0.000 2.741 787 N HA -0.198 4.546 4.740 0.007 0.000 0.250 787 N C 0.515 176.095 175.510 0.116 0.000 1.115 787 N CA -0.023 53.068 53.050 0.068 0.000 0.724 787 N CB -1.004 37.531 38.487 0.080 0.000 1.090 787 N HN 0.555 nan 8.380 nan 0.000 0.558 788 I N 0.179 120.829 120.570 0.133 0.000 2.118 788 I HA -0.361 3.813 4.170 0.007 0.000 0.241 788 I C 2.607 178.821 176.117 0.161 0.000 1.070 788 I CA 1.844 63.251 61.300 0.178 0.000 1.327 788 I CB -0.434 37.703 38.000 0.228 0.000 1.034 788 I HN 0.483 nan 8.210 nan 0.000 0.405 789 A N 0.909 123.769 122.820 0.067 0.000 1.881 789 A HA -0.366 3.958 4.320 0.007 0.000 0.219 789 A C 2.404 179.940 177.584 -0.079 0.000 1.215 789 A CA 2.618 54.587 52.037 -0.113 0.000 0.648 789 A CB -0.900 17.898 19.000 -0.337 0.000 0.832 789 A HN 0.462 nan 8.150 nan 0.000 0.455 790 K N -1.843 118.473 120.400 -0.140 0.000 2.127 790 K HA -0.222 4.103 4.320 0.007 0.000 0.208 790 K C 1.079 177.503 176.600 -0.293 0.000 1.047 790 K CA 2.053 58.176 56.287 -0.273 0.000 0.927 790 K CB -0.296 31.941 32.500 -0.438 0.000 0.716 790 K HN 0.591 nan 8.250 nan 0.000 0.450 791 Y N 0.395 120.699 120.300 0.006 0.000 2.524 791 Y HA 0.156 4.710 4.550 0.007 0.000 0.266 791 Y C -0.225 175.697 175.900 0.037 0.000 1.180 791 Y CA -0.616 57.493 58.100 0.016 0.000 1.244 791 Y CB 0.319 38.779 38.460 0.000 0.000 1.125 791 Y HN 0.023 nan 8.280 nan 0.000 0.524 792 D N 0.654 121.143 120.400 0.147 0.000 2.441 792 D HA 0.115 4.760 4.640 0.007 0.000 0.221 792 D C -0.443 175.933 176.300 0.126 0.000 1.156 792 D CA 0.030 54.118 54.000 0.147 0.000 0.896 792 D CB 0.745 41.646 40.800 0.168 0.000 1.028 792 D HN -0.139 nan 8.370 nan 0.000 0.509 793 V N 4.756 124.759 119.914 0.148 0.000 2.149 793 V HA 0.225 4.350 4.120 0.007 0.000 0.245 793 V C 1.645 177.836 176.094 0.161 0.000 1.349 793 V CA 0.341 62.721 62.300 0.133 0.000 1.289 793 V CB 0.011 31.910 31.823 0.126 0.000 1.401 793 V HN 0.878 nan 8.190 nan 0.000 0.501 794 G N 3.741 112.620 108.800 0.132 0.000 2.402 794 G HA2 -0.116 3.849 3.960 0.007 0.000 0.300 794 G HA3 -0.116 3.849 3.960 0.007 0.000 0.300 794 G C 1.078 176.097 174.900 0.198 0.000 0.987 794 G CA 0.792 45.974 45.100 0.138 0.000 0.881 794 G HN 1.744 nan 8.290 nan 0.000 0.512 795 G N -2.842 106.084 108.800 0.210 0.000 2.480 795 G HA2 0.012 3.977 3.960 0.007 0.000 0.193 795 G HA3 0.012 3.977 3.960 0.007 0.000 0.193 795 G C 0.141 175.092 174.900 0.084 0.000 1.004 795 G CA 0.098 45.302 45.100 0.173 0.000 0.696 795 G HN 0.872 nan 8.290 nan 0.000 0.478 796 F N 1.377 121.353 119.950 0.042 0.000 2.598 796 F HA 0.684 5.215 4.527 0.008 0.000 0.327 796 F C -2.118 173.708 175.800 0.043 0.000 1.057 796 F CA -2.531 55.489 58.000 0.034 0.000 0.957 796 F CB 1.615 40.630 39.000 0.025 0.000 1.278 796 F HN -0.236 nan 8.300 nan 0.000 0.484 797 P HA 0.090 nan 4.420 nan 0.000 0.263 797 P C -0.096 177.297 177.300 0.154 0.000 1.175 797 P CA 0.239 63.417 63.100 0.130 0.000 0.761 797 P CB 0.282 32.031 31.700 0.082 0.000 0.794 798 G N 3.697 112.597 108.800 0.167 0.000 2.532 798 G HA2 0.488 4.453 3.960 0.007 0.000 0.291 798 G HA3 0.488 4.453 3.960 0.007 0.000 0.291 798 G C -2.568 172.429 174.900 0.162 0.000 1.349 798 G CA -1.457 43.749 45.100 0.177 0.000 1.038 798 G HN 0.291 nan 8.290 nan 0.000 0.518 799 P HA 0.202 nan 4.420 nan 0.000 0.268 799 P C 0.068 177.477 177.300 0.181 0.000 1.205 799 P CA 0.151 63.334 63.100 0.137 0.000 0.771 799 P CB 0.752 32.521 31.700 0.115 0.000 0.858 800 K N -1.033 119.421 120.400 0.090 0.000 3.571 800 K HA -0.241 4.084 4.320 0.007 0.000 0.275 800 K C 0.461 176.967 176.600 -0.158 0.000 1.034 800 K CA 1.034 57.344 56.287 0.038 0.000 1.116 800 K CB -2.304 30.283 32.500 0.146 0.000 1.386 800 K HN 0.590 nan 8.250 nan 0.000 0.466 801 C N 3.243 122.381 119.300 -0.270 0.000 1.986 801 C HA -0.015 4.450 4.460 0.007 0.000 0.404 801 C C -1.523 173.234 174.990 -0.389 0.000 1.551 801 C CA -0.917 57.740 59.018 -0.602 0.000 1.457 801 C CB -0.525 27.076 27.740 -0.231 0.000 2.639 801 C HN 0.178 nan 8.230 nan 0.000 0.590 802 P HA 0.141 nan 4.420 nan 0.000 0.272 802 P C 0.690 177.956 177.300 -0.058 0.000 1.230 802 P CA -0.289 62.705 63.100 -0.176 0.000 0.788 802 P CB 0.267 31.857 31.700 -0.184 0.000 0.949 803 F N 1.882 121.809 119.950 -0.037 0.000 2.043 803 F HA -0.316 4.216 4.527 0.007 0.000 0.297 803 F C 2.611 178.410 175.800 -0.002 0.000 1.118 803 F CA 2.363 60.368 58.000 0.008 0.000 1.202 803 F CB -0.674 38.364 39.000 0.064 0.000 0.965 803 F HN 0.509 nan 8.300 nan 0.000 0.482 804 H N -0.718 118.416 119.070 0.108 0.000 2.389 804 H HA -0.101 4.459 4.556 0.008 0.000 0.299 804 H C 2.287 177.586 175.328 -0.049 0.000 1.081 804 H CA 1.676 57.730 56.048 0.010 0.000 1.345 804 H CB -1.151 28.629 29.762 0.031 0.000 1.393 804 H HN 0.227 nan 8.280 nan 0.000 0.520 805 I N 1.833 122.000 120.570 -0.672 0.000 2.163 805 I HA -0.235 3.940 4.170 0.007 0.000 0.243 805 I C 2.932 178.923 176.117 -0.210 0.000 1.085 805 I CA 1.196 62.249 61.300 -0.413 0.000 1.347 805 I CB -1.126 36.616 38.000 -0.429 0.000 1.044 805 I HN 0.261 nan 8.210 nan 0.000 0.408 806 R N 1.010 121.379 120.500 -0.219 0.000 2.103 806 R HA -0.175 4.169 4.340 0.007 0.000 0.242 806 R C 2.381 178.577 176.300 -0.172 0.000 1.142 806 R CA 1.906 57.901 56.100 -0.175 0.000 0.960 806 R CB -0.653 29.526 30.300 -0.200 0.000 0.858 806 R HN 0.403 nan 8.270 nan 0.000 0.439 807 G N 1.063 109.739 108.800 -0.207 0.000 2.442 807 G HA2 -0.243 3.721 3.960 0.007 0.000 0.219 807 G HA3 -0.243 3.721 3.960 0.007 0.000 0.219 807 G C 1.480 176.348 174.900 -0.053 0.000 1.141 807 G CA 1.014 46.023 45.100 -0.152 0.000 0.763 807 G HN 0.331 nan 8.290 nan 0.000 0.554 808 I N 0.170 120.711 120.570 -0.048 0.000 2.315 808 I HA -0.066 4.108 4.170 0.007 0.000 0.248 808 I C 2.614 178.765 176.117 0.056 0.000 1.117 808 I CA 0.454 61.762 61.300 0.014 0.000 1.404 808 I CB -0.103 37.890 38.000 -0.012 0.000 1.071 808 I HN 0.128 nan 8.210 nan 0.000 0.419 809 L N 0.156 121.374 121.223 -0.009 0.000 2.093 809 L HA -0.191 4.153 4.340 0.007 0.000 0.208 809 L C 2.848 179.673 176.870 -0.074 0.000 1.085 809 L CA 1.903 56.721 54.840 -0.036 0.000 0.755 809 L CB -0.860 41.163 42.059 -0.059 0.000 0.904 809 L HN 0.408 nan 8.230 nan 0.000 0.435 810 T N -2.366 112.148 114.554 -0.067 0.000 2.821 810 T HA -0.282 4.073 4.350 0.007 0.000 0.267 810 T C 1.888 176.594 174.700 0.011 0.000 1.046 810 T CA 1.106 63.163 62.100 -0.071 0.000 1.139 810 T CB -0.508 68.320 68.868 -0.066 0.000 0.871 810 T HN 0.323 nan 8.240 nan 0.000 0.454 811 Y N 2.822 123.077 120.300 -0.075 0.000 2.053 811 Y HA -0.165 4.390 4.550 0.008 0.000 0.277 811 Y C 2.188 178.070 175.900 -0.029 0.000 1.159 811 Y CA 2.149 60.226 58.100 -0.038 0.000 1.125 811 Y CB -0.970 37.489 38.460 -0.003 0.000 0.969 811 Y HN 0.396 nan 8.280 nan 0.000 0.492 812 N N -0.528 118.161 118.700 -0.018 0.000 2.289 812 N HA -0.157 4.587 4.740 0.007 0.000 0.184 812 N C 1.774 177.200 175.510 -0.140 0.000 1.016 812 N CA 0.795 53.773 53.050 -0.119 0.000 0.872 812 N CB -0.126 38.334 38.487 -0.047 0.000 0.973 812 N HN 0.404 nan 8.380 nan 0.000 0.433 813 R N 0.687 121.111 120.500 -0.126 0.000 2.075 813 R HA 0.101 4.445 4.340 0.007 0.000 0.226 813 R C 2.058 178.299 176.300 -0.099 0.000 1.114 813 R CA 0.934 56.961 56.100 -0.122 0.000 0.972 813 R CB -0.107 30.083 30.300 -0.184 0.000 0.869 813 R HN 0.140 nan 8.270 nan 0.000 0.437 814 A N 1.436 124.207 122.820 -0.081 0.000 2.209 814 A HA -0.027 4.297 4.320 0.007 0.000 0.212 814 A C 1.656 179.168 177.584 -0.119 0.000 1.158 814 A CA 0.681 52.699 52.037 -0.030 0.000 0.742 814 A CB -0.419 18.680 19.000 0.166 0.000 0.790 814 A HN 0.468 nan 8.150 nan 0.000 0.472 815 I N -5.505 114.935 120.570 -0.217 0.000 3.833 815 I HA 0.330 4.505 4.170 0.007 0.000 0.328 815 I C -0.218 175.814 176.117 -0.141 0.000 1.554 815 I CA -0.756 60.411 61.300 -0.222 0.000 1.116 815 I CB 0.289 38.052 38.000 -0.395 0.000 1.182 815 I HN -0.288 nan 8.210 nan 0.000 0.459 816 K N 2.679 123.017 120.400 -0.103 0.000 2.511 816 K HA 0.001 4.326 4.320 0.007 0.000 0.277 816 K C 1.446 178.020 176.600 -0.043 0.000 1.025 816 K CA 1.561 57.810 56.287 -0.063 0.000 1.112 816 K CB 0.228 32.702 32.500 -0.043 0.000 0.859 816 K HN 0.704 nan 8.250 nan 0.000 0.485 817 G N 3.755 112.538 108.800 -0.029 0.000 2.451 817 G HA2 -0.351 3.614 3.960 0.007 0.000 0.253 817 G HA3 -0.351 3.614 3.960 0.007 0.000 0.253 817 G C 0.311 175.206 174.900 -0.008 0.000 1.033 817 G CA 0.389 45.482 45.100 -0.011 0.000 0.633 817 G HN 0.751 nan 8.290 nan 0.000 0.537 818 N N 0.724 119.411 118.700 -0.022 0.000 2.423 818 N HA 0.186 4.931 4.740 0.007 0.000 0.275 818 N C 0.712 176.220 175.510 -0.004 0.000 1.283 818 N CA 0.296 53.337 53.050 -0.015 0.000 0.932 818 N CB 1.095 39.563 38.487 -0.032 0.000 1.185 818 N HN 0.270 nan 8.380 nan 0.000 0.483 819 I N 2.572 123.153 120.570 0.018 0.000 3.883 819 I HA -0.066 4.108 4.170 0.007 0.000 0.326 819 I C 1.360 177.506 176.117 0.049 0.000 1.283 819 I CA 0.202 61.525 61.300 0.037 0.000 1.161 819 I CB 0.018 38.049 38.000 0.051 0.000 1.012 819 I HN 0.429 nan 8.210 nan 0.000 0.421 820 D N 1.001 121.425 120.400 0.040 0.000 2.194 820 D HA 0.030 4.675 4.640 0.007 0.000 0.204 820 D C 1.280 177.616 176.300 0.060 0.000 0.964 820 D CA 0.561 54.590 54.000 0.048 0.000 0.846 820 D CB -0.719 40.104 40.800 0.039 0.000 0.962 820 D HN 0.207 nan 8.370 nan 0.000 0.490 821 A N 1.481 124.328 122.820 0.045 0.000 2.483 821 A HA 0.383 4.708 4.320 0.007 0.000 0.238 821 A C -2.232 175.415 177.584 0.105 0.000 1.070 821 A CA -0.890 51.183 52.037 0.061 0.000 0.770 821 A CB -0.294 18.703 19.000 -0.005 0.000 1.008 821 A HN 0.056 nan 8.150 nan 0.000 0.497 822 P HA 0.165 nan 4.420 nan 0.000 0.276 822 P C -0.374 177.064 177.300 0.230 0.000 1.264 822 P CA -0.180 63.026 63.100 0.176 0.000 0.769 822 P CB 0.555 32.364 31.700 0.181 0.000 0.840 823 Q N 1.358 121.244 119.800 0.144 0.000 2.584 823 Q HA 0.176 4.520 4.340 0.007 0.000 0.235 823 Q C 0.035 176.100 176.000 0.108 0.000 1.079 823 Q CA -0.165 55.718 55.803 0.133 0.000 0.977 823 Q CB 0.605 29.366 28.738 0.039 0.000 1.293 823 Q HN 0.292 nan 8.270 nan 0.000 0.553 824 V N 0.882 120.843 119.914 0.080 0.000 2.435 824 V HA 0.390 4.515 4.120 0.007 0.000 0.290 824 V C -0.587 175.485 176.094 -0.036 0.000 1.030 824 V CA -0.641 61.655 62.300 -0.008 0.000 0.881 824 V CB 1.556 33.358 31.823 -0.035 0.000 0.983 824 V HN 0.478 nan 8.190 nan 0.000 0.445 825 V N 5.411 125.286 119.914 -0.065 0.000 2.567 825 V HA 0.474 4.599 4.120 0.007 0.000 0.289 825 V C 0.491 176.567 176.094 -0.030 0.000 1.049 825 V CA -0.792 61.473 62.300 -0.058 0.000 0.969 825 V CB 1.384 33.141 31.823 -0.109 0.000 0.995 825 V HN 0.878 nan 8.190 nan 0.000 0.471 826 E N 2.088 122.293 120.200 0.008 0.000 2.351 826 E HA 0.334 4.689 4.350 0.007 0.000 0.266 826 E C 1.150 177.740 176.600 -0.017 0.000 1.031 826 E CA 1.205 57.620 56.400 0.024 0.000 0.911 826 E CB 0.901 30.636 29.700 0.058 0.000 0.986 826 E HN 1.077 nan 8.360 nan 0.000 0.446 827 G N 4.463 113.252 108.800 -0.019 0.000 2.284 827 G HA2 -0.264 3.700 3.960 0.007 0.000 0.230 827 G HA3 -0.264 3.700 3.960 0.007 0.000 0.230 827 G C 0.434 175.291 174.900 -0.071 0.000 1.021 827 G CA 0.175 45.248 45.100 -0.045 0.000 0.619 827 G HN 0.520 nan 8.290 nan 0.000 0.510 828 E N 0.976 121.128 120.200 -0.080 0.000 2.369 828 E HA 0.510 4.865 4.350 0.007 0.000 0.255 828 E C 0.302 176.832 176.600 -0.117 0.000 1.172 828 E CA -0.495 55.845 56.400 -0.100 0.000 0.932 828 E CB 0.490 30.123 29.700 -0.113 0.000 1.040 828 E HN 0.121 nan 8.360 nan 0.000 0.454 829 K N 0.821 121.127 120.400 -0.156 0.000 2.185 829 K HA 0.286 4.610 4.320 0.007 0.000 0.271 829 K C -0.417 175.980 176.600 -0.338 0.000 1.013 829 K CA -0.371 55.776 56.287 -0.234 0.000 0.943 829 K CB 1.139 33.468 32.500 -0.284 0.000 0.998 829 K HN 0.348 nan 8.250 nan 0.000 0.468 830 V N -0.574 119.124 119.914 -0.360 0.000 2.769 830 V HA 0.451 4.576 4.120 0.007 0.000 0.312 830 V C -0.811 174.914 176.094 -0.615 0.000 1.061 830 V CA -1.177 60.846 62.300 -0.462 0.000 0.931 830 V CB 0.974 32.633 31.823 -0.274 0.000 1.010 830 V HN 0.485 nan 8.190 nan 0.000 0.433 831 Y N 1.825 121.644 120.300 -0.802 0.000 2.304 831 Y HA 0.667 5.222 4.550 0.007 0.000 0.327 831 Y C 0.413 175.878 175.900 -0.724 0.000 1.209 831 Y CA -0.523 57.005 58.100 -0.954 0.000 1.299 831 Y CB 1.564 38.985 38.460 -1.732 0.000 1.249 831 Y HN 0.558 nan 8.280 nan 0.000 0.519 832 V N 4.977 124.789 119.914 -0.170 0.000 2.577 832 V HA 0.476 4.601 4.120 0.007 0.000 0.303 832 V C -0.607 175.575 176.094 0.148 0.000 1.042 832 V CA -1.001 61.311 62.300 0.021 0.000 0.872 832 V CB 1.793 33.675 31.823 0.098 0.000 0.998 832 V HN 0.543 nan 8.190 nan 0.000 0.423 833 L N 6.406 127.768 121.223 0.231 0.000 2.386 833 L HA 0.620 4.965 4.340 0.007 0.000 0.271 833 L C -2.556 174.411 176.870 0.161 0.000 0.993 833 L CA -1.820 53.151 54.840 0.220 0.000 0.819 833 L CB 3.460 45.678 42.059 0.264 0.000 1.294 833 L HN 0.415 nan 8.230 nan 0.000 0.414 834 P HA 0.238 nan 4.420 nan 0.000 0.279 834 P C -1.167 176.211 177.300 0.130 0.000 1.239 834 P CA -0.478 62.736 63.100 0.190 0.000 0.789 834 P CB 1.384 33.246 31.700 0.270 0.000 0.933 835 L N 3.294 124.584 121.223 0.111 0.000 2.331 835 L HA 0.438 4.783 4.340 0.007 0.000 0.275 835 L C 1.172 178.148 176.870 0.175 0.000 1.022 835 L CA -0.729 54.199 54.840 0.147 0.000 0.812 835 L CB 0.616 42.742 42.059 0.112 0.000 1.257 835 L HN 0.334 nan 8.230 nan 0.000 0.435 836 R N 0.985 121.637 120.500 0.254 0.000 2.582 836 R HA 0.200 4.545 4.340 0.007 0.000 0.271 836 R C -0.186 176.235 176.300 0.203 0.000 1.078 836 R CA -0.596 55.656 56.100 0.253 0.000 1.127 836 R CB 0.548 31.043 30.300 0.325 0.000 1.038 836 R HN 0.667 nan 8.270 nan 0.000 0.500 837 E N 0.586 120.881 120.200 0.158 0.000 2.529 837 E HA 0.030 4.384 4.350 0.007 0.000 0.259 837 E C 0.568 177.219 176.600 0.086 0.000 0.966 837 E CA 0.450 56.910 56.400 0.100 0.000 0.937 837 E CB 0.199 29.957 29.700 0.096 0.000 0.923 837 E HN 0.825 nan 8.360 nan 0.000 0.468 838 G N 3.147 111.924 108.800 -0.038 0.000 2.195 838 G HA2 -0.371 3.593 3.960 0.007 0.000 0.246 838 G HA3 -0.371 3.593 3.960 0.007 0.000 0.246 838 G C 0.179 174.740 174.900 -0.566 0.000 0.984 838 G CA 0.122 45.141 45.100 -0.135 0.000 0.633 838 G HN 0.962 nan 8.290 nan 0.000 0.525 839 N N 0.805 118.993 118.700 -0.855 0.000 2.273 839 N HA 0.368 5.112 4.740 0.007 0.000 0.227 839 N C -0.988 173.945 175.510 -0.962 0.000 1.292 839 N CA -0.156 51.931 53.050 -1.605 0.000 0.875 839 N CB 0.602 38.671 38.487 -0.697 0.000 1.105 839 N HN 0.165 nan 8.380 nan 0.000 0.434 840 P HA 0.134 nan 4.420 nan 0.000 0.261 840 P C -0.112 176.842 177.300 -0.577 0.000 1.268 840 P CA 0.321 63.023 63.100 -0.664 0.000 0.833 840 P CB 0.015 31.341 31.700 -0.624 0.000 1.231 841 F N 0.290 120.078 119.950 -0.270 0.000 2.615 841 F HA 0.267 4.799 4.527 0.008 0.000 0.297 841 F C 2.172 177.880 175.800 -0.153 0.000 1.124 841 F CA 1.265 59.162 58.000 -0.171 0.000 1.451 841 F CB -0.635 38.285 39.000 -0.133 0.000 1.103 841 F HN 0.117 nan 8.300 nan 0.000 0.569 842 G N -0.748 108.041 108.800 -0.017 0.000 2.729 842 G HA2 -0.254 3.710 3.960 0.007 0.000 0.216 842 G HA3 -0.254 3.710 3.960 0.007 0.000 0.216 842 G C 0.354 175.255 174.900 0.003 0.000 1.252 842 G CA 0.131 45.222 45.100 -0.015 0.000 0.751 842 G HN 0.248 nan 8.290 nan 0.000 0.527 843 D N 0.658 121.059 120.400 0.001 0.000 2.451 843 D HA 0.479 5.123 4.640 0.007 0.000 0.259 843 D C 1.599 177.887 176.300 -0.019 0.000 1.201 843 D CA 0.296 54.285 54.000 -0.019 0.000 1.028 843 D CB 0.709 41.469 40.800 -0.068 0.000 1.095 843 D HN 0.557 nan 8.370 nan 0.000 0.539 844 K N -1.298 119.078 120.400 -0.041 0.000 2.404 844 K HA 0.183 4.508 4.320 0.007 0.000 0.194 844 K C 0.284 176.846 176.600 -0.063 0.000 1.023 844 K CA -0.109 56.171 56.287 -0.012 0.000 1.094 844 K CB -0.382 32.143 32.500 0.041 0.000 0.841 844 K HN 0.405 nan 8.250 nan 0.000 0.523 845 C N -1.421 117.776 119.300 -0.172 0.000 3.311 845 C HA 0.767 5.231 4.460 0.007 0.000 0.325 845 C C -1.244 173.635 174.990 -0.184 0.000 1.352 845 C CA -1.361 57.523 59.018 -0.223 0.000 1.308 845 C CB 0.630 28.006 27.740 -0.607 0.000 1.619 845 C HN 0.377 nan 8.230 nan 0.000 0.469 846 I N 1.052 121.558 120.570 -0.108 0.000 2.865 846 I HA 0.795 4.970 4.170 0.007 0.000 0.302 846 I C -0.379 175.799 176.117 0.101 0.000 1.140 846 I CA -0.350 60.918 61.300 -0.053 0.000 1.021 846 I CB 2.127 40.014 38.000 -0.189 0.000 1.233 846 I HN 1.336 nan 8.210 nan 0.000 0.427 847 A N 5.228 128.111 122.820 0.105 0.000 2.449 847 A HA 0.844 5.168 4.320 0.007 0.000 0.302 847 A C -1.949 175.598 177.584 -0.061 0.000 1.048 847 A CA -0.429 51.637 52.037 0.049 0.000 0.708 847 A CB 1.003 19.965 19.000 -0.064 0.000 1.274 847 A HN 0.848 nan 8.150 nan 0.000 0.410 848 W N 0.814 121.895 121.300 -0.365 0.000 3.118 848 W HA 0.720 5.384 4.660 0.007 0.000 0.328 848 W C -3.371 172.959 176.519 -0.316 0.000 1.239 848 W CA -2.725 54.260 57.345 -0.601 0.000 1.176 848 W CB 0.410 29.602 29.460 -0.447 0.000 1.433 848 W HN 0.417 nan 8.180 nan 0.000 0.562 849 P HA -0.001 nan 4.420 nan 0.000 0.261 849 P C 0.236 177.327 177.300 -0.348 0.000 1.173 849 P CA 0.616 63.573 63.100 -0.238 0.000 0.760 849 P CB 0.724 32.381 31.700 -0.072 0.000 0.783 850 S N 2.331 117.674 115.700 -0.594 0.000 2.624 850 S HA 0.491 4.966 4.470 0.007 0.000 0.263 850 S C 1.476 175.833 174.600 -0.404 0.000 1.287 850 S CA 0.180 57.807 58.200 -0.955 0.000 0.990 850 S CB 0.361 62.776 63.200 -1.307 0.000 0.950 850 S HN 0.865 nan 8.310 nan 0.000 0.561 851 G N 0.024 108.674 108.800 -0.251 0.000 2.328 851 G HA2 -0.289 3.676 3.960 0.007 0.000 0.256 851 G HA3 -0.289 3.676 3.960 0.007 0.000 0.256 851 G C 0.385 175.365 174.900 0.132 0.000 1.014 851 G CA 0.984 46.056 45.100 -0.047 0.000 0.620 851 G HN 1.781 nan 8.290 nan 0.000 0.530 852 T N -1.114 113.546 114.554 0.177 0.000 2.950 852 T HA 0.678 5.032 4.350 0.007 0.000 0.288 852 T C -0.046 174.913 174.700 0.433 0.000 1.035 852 T CA -0.107 62.141 62.100 0.245 0.000 1.028 852 T CB 2.411 71.397 68.868 0.197 0.000 1.109 852 T HN 0.337 nan 8.240 nan 0.000 0.514 853 E N 0.793 121.196 120.200 0.339 0.000 2.345 853 E HA 0.360 4.714 4.350 0.007 0.000 0.259 853 E C -0.093 176.646 176.600 0.231 0.000 1.117 853 E CA -0.754 55.867 56.400 0.368 0.000 0.913 853 E CB 0.686 30.526 29.700 0.234 0.000 1.057 853 E HN 0.646 nan 8.360 nan 0.000 0.432 854 I N -0.223 120.258 120.570 -0.149 0.000 2.648 854 I HA -0.011 4.164 4.170 0.007 0.000 0.284 854 I C 0.965 177.029 176.117 -0.089 0.000 1.153 854 I CA -0.058 61.018 61.300 -0.372 0.000 1.426 854 I CB -0.113 37.414 38.000 -0.788 0.000 1.381 854 I HN 0.249 nan 8.210 nan 0.000 0.571 855 T N 2.927 117.494 114.554 0.022 0.000 2.939 855 T HA -0.067 4.288 4.350 0.007 0.000 0.319 855 T C 1.077 175.773 174.700 -0.008 0.000 1.082 855 T CA 0.021 62.143 62.100 0.037 0.000 1.133 855 T CB 0.166 69.077 68.868 0.070 0.000 1.019 855 T HN 0.742 nan 8.240 nan 0.000 0.548 856 D N 2.682 123.082 120.400 -0.001 0.000 2.190 856 D HA -0.110 4.535 4.640 0.007 0.000 0.200 856 D C 2.030 178.326 176.300 -0.008 0.000 0.992 856 D CA 0.798 54.790 54.000 -0.012 0.000 0.854 856 D CB 0.079 40.878 40.800 -0.002 0.000 0.936 856 D HN 0.364 nan 8.370 nan 0.000 0.462 857 L N 0.607 121.830 121.223 0.001 0.000 2.137 857 L HA -0.175 4.169 4.340 0.007 0.000 0.213 857 L C 2.325 179.209 176.870 0.023 0.000 1.085 857 L CA 1.500 56.341 54.840 0.002 0.000 0.760 857 L CB -0.670 41.383 42.059 -0.010 0.000 0.893 857 L HN 0.265 nan 8.230 nan 0.000 0.434 858 I N -6.298 114.294 120.570 0.036 0.000 4.456 858 I HA 0.116 4.291 4.170 0.007 0.000 0.329 858 I C 2.087 178.236 176.117 0.053 0.000 1.313 858 I CA 0.006 61.379 61.300 0.122 0.000 1.205 858 I CB -0.242 37.891 38.000 0.222 0.000 1.179 858 I HN -0.050 nan 8.210 nan 0.000 0.419 859 K N 1.822 122.185 120.400 -0.061 0.000 2.127 859 K HA -0.296 4.029 4.320 0.007 0.000 0.212 859 K C 1.190 177.708 176.600 -0.137 0.000 1.050 859 K CA 2.815 59.000 56.287 -0.170 0.000 0.929 859 K CB -0.131 32.277 32.500 -0.154 0.000 0.715 859 K HN 0.407 nan 8.250 nan 0.000 0.457 860 D N -0.116 120.261 120.400 -0.039 0.000 2.305 860 D HA -0.046 4.598 4.640 0.007 0.000 0.206 860 D C 1.263 177.609 176.300 0.077 0.000 0.974 860 D CA 0.645 54.633 54.000 -0.020 0.000 0.871 860 D CB 0.057 40.838 40.800 -0.031 0.000 0.947 860 D HN 0.248 nan 8.370 nan 0.000 0.516 861 D N 0.171 120.687 120.400 0.193 0.000 2.077 861 D HA -0.125 4.519 4.640 0.007 0.000 0.196 861 D C 2.236 178.878 176.300 0.571 0.000 0.986 861 D CA 0.601 54.858 54.000 0.428 0.000 0.829 861 D CB -0.708 40.330 40.800 0.396 0.000 0.983 861 D HN 0.046 nan 8.370 nan 0.000 0.453 862 V N 1.065 121.240 119.914 0.436 0.000 2.370 862 V HA -0.251 3.874 4.120 0.007 0.000 0.252 862 V C 2.302 178.426 176.094 0.050 0.000 1.068 862 V CA 1.514 63.885 62.300 0.117 0.000 1.061 862 V CB -0.467 31.200 31.823 -0.261 0.000 0.656 862 V HN 0.157 nan 8.190 nan 0.000 0.455 863 L N -0.707 120.498 121.223 -0.030 0.000 2.141 863 L HA -0.130 4.214 4.340 0.007 0.000 0.209 863 L C 2.581 179.492 176.870 0.069 0.000 1.094 863 L CA 2.066 56.868 54.840 -0.063 0.000 0.763 863 L CB -0.544 41.424 42.059 -0.151 0.000 0.908 863 L HN 0.547 nan 8.230 nan 0.000 0.437 864 H N -1.553 117.506 119.070 -0.018 0.000 2.317 864 H HA -0.181 4.379 4.556 0.007 0.000 0.304 864 H C 1.571 176.814 175.328 -0.143 0.000 1.067 864 H CA 1.879 57.836 56.048 -0.150 0.000 1.352 864 H CB -0.111 29.456 29.762 -0.324 0.000 1.398 864 H HN 0.404 nan 8.280 nan 0.000 0.510 865 W N 1.207 122.581 121.300 0.122 0.000 3.077 865 W HA 0.089 4.753 4.660 0.007 0.000 0.245 865 W C 1.004 177.566 176.519 0.072 0.000 1.316 865 W CA -0.490 56.910 57.345 0.092 0.000 1.537 865 W CB -0.131 29.464 29.460 0.224 0.000 1.131 865 W HN 0.081 nan 8.180 nan 0.000 0.695 866 M N 1.752 121.476 119.600 0.207 0.000 2.245 866 M HA -0.119 4.366 4.480 0.007 0.000 0.335 866 M C -0.068 176.309 176.300 0.128 0.000 1.155 866 M CA 1.107 56.468 55.300 0.101 0.000 1.055 866 M CB 0.395 32.992 32.600 -0.005 0.000 1.670 866 M HN -0.238 nan 8.290 nan 0.000 0.447 867 D N 3.817 124.261 120.400 0.074 0.000 2.477 867 D HA 0.145 4.789 4.640 0.007 0.000 0.239 867 D C -0.249 176.125 176.300 0.122 0.000 1.102 867 D CA -0.052 54.033 54.000 0.142 0.000 0.901 867 D CB 0.239 41.130 40.800 0.152 0.000 1.026 867 D HN 0.536 nan 8.370 nan 0.000 0.515 868 Y N 1.034 121.427 120.300 0.155 0.000 2.263 868 Y HA -0.131 4.423 4.550 0.007 0.000 0.292 868 Y C 2.502 178.454 175.900 0.086 0.000 1.130 868 Y CA 0.968 59.212 58.100 0.241 0.000 1.179 868 Y CB -0.240 38.384 38.460 0.274 0.000 0.998 868 Y HN 0.276 nan 8.280 nan 0.000 0.532 869 T N -0.403 114.271 114.554 0.200 0.000 2.684 869 T HA -0.185 4.169 4.350 0.007 0.000 0.267 869 T C 2.153 176.878 174.700 0.042 0.000 1.036 869 T CA 1.695 63.837 62.100 0.071 0.000 1.148 869 T CB -0.719 68.192 68.868 0.073 0.000 0.863 869 T HN 0.082 nan 8.240 nan 0.000 0.436 870 V N 1.343 121.305 119.914 0.081 0.000 2.261 870 V HA -0.138 3.987 4.120 0.007 0.000 0.246 870 V C 2.526 178.656 176.094 0.059 0.000 1.047 870 V CA 1.536 63.879 62.300 0.072 0.000 1.015 870 V CB -0.667 31.221 31.823 0.107 0.000 0.642 870 V HN 0.420 nan 8.190 nan 0.000 0.446 871 L N -0.942 120.335 121.223 0.090 0.000 2.043 871 L HA -0.241 4.103 4.340 0.007 0.000 0.212 871 L C 2.441 179.345 176.870 0.056 0.000 1.075 871 L CA 1.580 56.496 54.840 0.127 0.000 0.752 871 L CB -0.463 41.745 42.059 0.247 0.000 0.891 871 L HN 0.355 nan 8.230 nan 0.000 0.432 872 L N -0.171 120.950 121.223 -0.170 0.000 2.056 872 L HA -0.209 4.135 4.340 0.007 0.000 0.207 872 L C 2.417 179.273 176.870 -0.023 0.000 1.078 872 L CA 1.852 56.482 54.840 -0.350 0.000 0.749 872 L CB -0.393 41.260 42.059 -0.677 0.000 0.901 872 L HN 0.224 nan 8.230 nan 0.000 0.433 873 E N 0.270 120.462 120.200 -0.014 0.000 2.033 873 E HA -0.229 4.125 4.350 0.007 0.000 0.189 873 E C 2.151 178.752 176.600 0.001 0.000 0.979 873 E CA 1.960 58.370 56.400 0.016 0.000 0.802 873 E CB -0.234 29.474 29.700 0.014 0.000 0.763 873 E HN 0.628 nan 8.360 nan 0.000 0.449 874 K N -0.405 119.994 120.400 -0.001 0.000 2.097 874 K HA -0.069 4.256 4.320 0.007 0.000 0.205 874 K C 2.095 178.687 176.600 -0.014 0.000 1.050 874 K CA 1.884 58.154 56.287 -0.028 0.000 0.938 874 K CB -0.621 31.847 32.500 -0.053 0.000 0.718 874 K HN 0.230 nan 8.250 nan 0.000 0.442 875 T N -3.005 111.577 114.554 0.048 0.000 3.051 875 T HA 0.062 4.416 4.350 0.007 0.000 0.255 875 T C 1.386 176.170 174.700 0.141 0.000 1.085 875 T CA 0.008 62.163 62.100 0.091 0.000 1.109 875 T CB -0.149 68.809 68.868 0.150 0.000 0.921 875 T HN 0.330 nan 8.240 nan 0.000 0.488 876 F N 0.704 120.644 119.950 -0.016 0.000 2.549 876 F HA 0.477 5.009 4.527 0.007 0.000 0.275 876 F C 1.609 177.339 175.800 -0.115 0.000 0.990 876 F CA -0.319 57.665 58.000 -0.026 0.000 1.274 876 F CB 0.367 39.418 39.000 0.086 0.000 1.064 876 F HN -0.004 nan 8.300 nan 0.000 0.715 877 I N 0.191 120.701 120.570 -0.101 0.000 2.400 877 I HA -0.121 4.053 4.170 0.007 0.000 0.248 877 I C 2.165 178.078 176.117 -0.340 0.000 1.109 877 I CA 0.506 61.652 61.300 -0.256 0.000 1.425 877 I CB -0.557 37.452 38.000 0.014 0.000 1.094 877 I HN -0.044 nan 8.210 nan 0.000 0.425 878 K N 1.205 121.478 120.400 -0.211 0.000 2.020 878 K HA -0.163 4.162 4.320 0.007 0.000 0.212 878 K C -0.079 176.318 176.600 -0.339 0.000 1.050 878 K CA 1.931 58.093 56.287 -0.208 0.000 0.929 878 K CB -1.653 30.768 32.500 -0.132 0.000 0.714 878 K HN 0.244 nan 8.250 nan 0.000 0.443 879 P HA -0.154 nan 4.420 nan 0.000 0.214 879 P C 1.716 178.303 177.300 -1.190 0.000 1.163 879 P CA 1.036 63.754 63.100 -0.638 0.000 0.883 879 P CB -0.040 31.367 31.700 -0.488 0.000 0.788 880 L N -0.571 119.988 121.223 -1.107 0.000 2.079 880 L HA -0.198 4.147 4.340 0.007 0.000 0.210 880 L C 2.453 178.839 176.870 -0.806 0.000 1.081 880 L CA 1.645 55.813 54.840 -1.119 0.000 0.752 880 L CB -0.537 40.870 42.059 -1.087 0.000 0.896 880 L HN -0.025 nan 8.230 nan 0.000 0.433 881 E N 0.078 119.899 120.200 -0.632 0.000 2.077 881 E HA -0.177 4.177 4.350 0.007 0.000 0.193 881 E C 1.952 178.419 176.600 -0.222 0.000 0.989 881 E CA 1.231 57.451 56.400 -0.301 0.000 0.800 881 E CB -0.351 29.249 29.700 -0.166 0.000 0.746 881 E HN 0.579 nan 8.360 nan 0.000 0.452 882 G N 0.562 109.181 108.800 -0.302 0.000 2.514 882 G HA2 -0.268 3.696 3.960 0.007 0.000 0.217 882 G HA3 -0.268 3.696 3.960 0.007 0.000 0.217 882 G C 1.380 176.294 174.900 0.023 0.000 1.198 882 G CA 1.111 46.136 45.100 -0.126 0.000 0.780 882 G HN 0.217 nan 8.290 nan 0.000 0.565 883 F N 1.224 121.091 119.950 -0.139 0.000 2.134 883 F HA -0.011 4.520 4.527 0.008 0.000 0.299 883 F C 3.014 178.560 175.800 -0.423 0.000 1.097 883 F CA 1.079 58.908 58.000 -0.284 0.000 1.264 883 F CB -1.563 37.254 39.000 -0.305 0.000 1.001 883 F HN 0.053 nan 8.300 nan 0.000 0.479 884 T N -0.371 114.119 114.554 -0.108 0.000 2.674 884 T HA -0.217 4.137 4.350 0.007 0.000 0.265 884 T C 2.387 177.040 174.700 -0.078 0.000 1.039 884 T CA 2.013 64.061 62.100 -0.087 0.000 1.150 884 T CB -0.554 68.348 68.868 0.058 0.000 0.864 884 T HN 0.373 nan 8.240 nan 0.000 0.427 885 S N 1.338 117.012 115.700 -0.044 0.000 2.353 885 S HA -0.140 4.334 4.470 0.007 0.000 0.222 885 S C 2.415 177.001 174.600 -0.023 0.000 1.035 885 S CA 1.721 59.904 58.200 -0.027 0.000 1.025 885 S CB -0.701 62.493 63.200 -0.009 0.000 0.902 885 S HN 0.497 nan 8.310 nan 0.000 0.440 886 A N 1.602 124.421 122.820 -0.002 0.000 1.908 886 A HA 0.148 4.472 4.320 0.007 0.000 0.218 886 A C 2.494 180.081 177.584 0.005 0.000 1.181 886 A CA 2.112 54.179 52.037 0.050 0.000 0.627 886 A CB -1.478 17.617 19.000 0.158 0.000 0.818 886 A HN 1.042 nan 8.150 nan 0.000 0.445 887 A N -1.496 121.254 122.820 -0.115 0.000 2.167 887 A HA 0.174 4.498 4.320 0.007 0.000 0.214 887 A C 0.727 178.258 177.584 -0.089 0.000 1.151 887 A CA 0.933 52.887 52.037 -0.138 0.000 0.735 887 A CB -0.204 18.596 19.000 -0.333 0.000 0.802 887 A HN 0.450 nan 8.150 nan 0.000 0.467 888 K N -1.732 118.623 120.400 -0.074 0.000 3.898 888 K HA -0.152 4.172 4.320 0.007 0.000 0.282 888 K C -1.017 175.543 176.600 -0.067 0.000 1.014 888 K CA 0.572 56.822 56.287 -0.061 0.000 0.848 888 K CB -2.200 30.268 32.500 -0.054 0.000 1.469 888 K HN 0.356 nan 8.250 nan 0.000 0.446 889 L N -0.170 121.009 121.223 -0.073 0.000 2.502 889 L HA 0.468 4.813 4.340 0.007 0.000 0.253 889 L C 0.737 177.558 176.870 -0.082 0.000 1.070 889 L CA -0.318 54.480 54.840 -0.070 0.000 0.871 889 L CB 1.641 43.659 42.059 -0.068 0.000 1.487 889 L HN 0.121 nan 8.230 nan 0.000 0.408 890 D N -1.098 119.237 120.400 -0.109 0.000 2.473 890 D HA 0.046 4.690 4.640 0.007 0.000 0.242 890 D C 0.577 176.599 176.300 -0.463 0.000 1.106 890 D CA 0.981 54.835 54.000 -0.242 0.000 0.854 890 D CB 0.701 41.354 40.800 -0.245 0.000 1.192 890 D HN 0.596 nan 8.370 nan 0.000 0.503 891 Y N 0.375 120.560 120.300 -0.191 0.000 4.879 891 Y HA -0.365 4.189 4.550 0.007 0.000 0.235 891 Y C 0.404 176.086 175.900 -0.363 0.000 0.988 891 Y CA 1.701 59.628 58.100 -0.289 0.000 1.960 891 Y CB -1.681 36.508 38.460 -0.453 0.000 1.534 891 Y HN 0.150 nan 8.280 nan 0.000 0.550 892 E N -0.001 119.907 120.200 -0.486 0.000 4.231 892 E HA 0.563 4.917 4.350 0.007 0.000 0.202 892 E C -1.105 175.402 176.600 -0.154 0.000 1.161 892 E CA -0.649 55.567 56.400 -0.306 0.000 0.821 892 E CB 0.872 30.296 29.700 -0.460 0.000 2.683 892 E HN -0.006 nan 8.360 nan 0.000 0.517 893 K N 0.679 120.983 120.400 -0.160 0.000 2.575 893 K HA 0.276 4.601 4.320 0.007 0.000 0.255 893 K C -1.747 174.801 176.600 -0.086 0.000 0.953 893 K CA -0.358 55.875 56.287 -0.089 0.000 0.840 893 K CB 1.495 33.977 32.500 -0.030 0.000 1.303 893 K HN 0.047 nan 8.250 nan 0.000 0.438 894 K N 1.227 121.583 120.400 -0.073 0.000 2.180 894 K HA 0.393 4.718 4.320 0.007 0.000 0.251 894 K C -0.245 176.346 176.600 -0.015 0.000 1.014 894 K CA -0.280 55.975 56.287 -0.054 0.000 0.913 894 K CB 0.715 33.186 32.500 -0.049 0.000 1.008 894 K HN 0.738 nan 8.250 nan 0.000 0.490 895 A N 2.146 124.963 122.820 -0.004 0.000 2.500 895 A HA 0.026 4.351 4.320 0.007 0.000 0.285 895 A C 1.216 178.835 177.584 0.058 0.000 1.183 895 A CA 0.099 52.148 52.037 0.021 0.000 0.851 895 A CB -0.348 18.661 19.000 0.015 0.000 1.091 895 A HN 0.757 nan 8.150 nan 0.000 0.521 896 S N 2.967 118.714 115.700 0.079 0.000 2.380 896 S HA -0.242 4.232 4.470 0.007 0.000 0.229 896 S C 1.537 176.295 174.600 0.263 0.000 1.050 896 S CA 1.329 59.620 58.200 0.151 0.000 1.100 896 S CB -0.447 62.852 63.200 0.165 0.000 0.984 896 S HN 1.211 nan 8.310 nan 0.000 0.434 897 L N -1.734 119.602 121.223 0.188 0.000 4.839 897 L HA -0.216 4.129 4.340 0.007 0.000 0.445 897 L C 0.119 177.103 176.870 0.190 0.000 1.101 897 L CA 1.349 56.288 54.840 0.165 0.000 0.952 897 L CB -1.544 40.629 42.059 0.189 0.000 1.871 897 L HN 0.474 nan 8.230 nan 0.000 0.893 898 F N -0.582 119.445 119.950 0.129 0.000 2.724 898 F HA 0.146 4.678 4.527 0.008 0.000 0.310 898 F C 1.579 177.523 175.800 0.241 0.000 1.107 898 F CA 0.187 58.374 58.000 0.312 0.000 1.218 898 F CB 0.253 39.410 39.000 0.263 0.000 1.042 898 F HN 0.243 nan 8.300 nan 0.000 0.540 899 D N -0.488 120.035 120.400 0.206 0.000 2.264 899 D HA -0.197 4.448 4.640 0.007 0.000 0.208 899 D C 1.773 178.061 176.300 -0.019 0.000 0.966 899 D CA 1.156 55.219 54.000 0.104 0.000 0.864 899 D CB -0.382 40.454 40.800 0.060 0.000 0.933 899 D HN 0.257 nan 8.370 nan 0.000 0.499 900 M N -0.478 118.985 119.600 -0.228 0.000 2.629 900 M HA 0.002 4.487 4.480 0.007 0.000 0.257 900 M C 0.107 176.035 176.300 -0.621 0.000 1.071 900 M CA 0.751 55.759 55.300 -0.487 0.000 1.077 900 M CB -0.338 31.817 32.600 -0.742 0.000 1.423 900 M HN 0.023 nan 8.290 nan 0.000 0.508 901 F N -0.154 119.815 119.950 0.031 0.000 2.908 901 F HA 0.297 4.828 4.527 0.008 0.000 0.328 901 F C 0.223 176.074 175.800 0.084 0.000 1.211 901 F CA -1.531 56.501 58.000 0.054 0.000 1.291 901 F CB -0.358 38.680 39.000 0.064 0.000 0.962 901 F HN -0.043 nan 8.300 nan 0.000 0.505 902 D N 0.186 120.693 120.400 0.178 0.000 2.345 902 D HA 0.303 4.947 4.640 0.007 0.000 0.247 902 D C 0.239 176.699 176.300 0.267 0.000 1.108 902 D CA 0.520 54.631 54.000 0.186 0.000 0.894 902 D CB 0.653 41.541 40.800 0.146 0.000 1.203 902 D HN 0.005 nan 8.370 nan 0.000 0.430 903 F N 0.000 119.991 119.950 0.069 0.000 2.286 903 F HA 0.000 4.532 4.527 0.008 0.000 0.279 903 F CA 0.000 58.032 58.000 0.054 0.000 1.383 903 F CB 0.000 39.022 39.000 0.037 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574