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 3lzj_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 LLINSLAGAL 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 0.000 176.347 176.300 0.079 0.000 1.140 1 M CA 0.000 55.331 55.300 0.051 0.000 0.988 1 M CB 0.000 32.641 32.600 0.068 0.000 1.302 2 K N 1.499 121.957 120.400 0.096 0.000 2.249 2 K HA 0.364 4.829 4.320 0.241 0.000 0.280 2 K C -0.923 175.861 176.600 0.307 0.000 1.033 2 K CA 0.123 56.485 56.287 0.125 0.000 0.946 2 K CB 0.882 33.410 32.500 0.047 0.000 1.005 2 K HN 0.611 nan 8.250 nan 0.000 0.469 3 E N 2.841 123.265 120.200 0.372 0.000 2.392 3 E HA 0.195 4.690 4.350 0.241 0.000 0.264 3 E C -0.618 176.371 176.600 0.648 0.000 1.024 3 E CA 0.077 56.767 56.400 0.483 0.000 0.903 3 E CB 0.349 30.364 29.700 0.525 0.000 0.963 3 E HN 0.428 nan 8.360 nan 0.000 0.432 4 F N 0.083 120.207 119.950 0.290 0.000 2.619 4 F HA 0.396 5.068 4.527 0.241 0.000 0.308 4 F C -1.020 174.805 175.800 0.042 0.000 1.097 4 F CA -1.623 56.339 58.000 -0.065 0.000 0.953 4 F CB 0.417 39.280 39.000 -0.228 0.000 1.287 4 F HN 0.380 nan 8.300 nan 0.000 0.446 5 Y N 1.498 121.717 120.300 -0.135 0.000 2.300 5 Y HA 0.710 5.404 4.550 0.240 0.000 0.328 5 Y C -0.173 175.921 175.900 0.323 0.000 1.270 5 Y CA -1.052 57.146 58.100 0.164 0.000 1.352 5 Y CB 0.615 39.163 38.460 0.147 0.000 1.286 5 Y HN 0.722 nan 8.280 nan 0.000 0.536 6 L N 0.687 122.115 121.223 0.342 0.000 2.588 6 L HA 0.254 4.739 4.340 0.241 0.000 0.194 6 L C 0.527 177.558 176.870 0.269 0.000 1.070 6 L CA 0.686 55.662 54.840 0.226 0.000 0.852 6 L CB 0.268 42.420 42.059 0.155 0.000 1.199 6 L HN 0.898 nan 8.230 nan 0.000 0.486 7 T N -2.441 112.311 114.554 0.331 0.000 2.896 7 T HA 0.663 5.158 4.350 0.241 0.000 0.297 7 T C -1.137 173.740 174.700 0.295 0.000 1.108 7 T CA -0.675 61.598 62.100 0.288 0.000 1.004 7 T CB 2.637 71.627 68.868 0.203 0.000 1.159 7 T HN -0.146 nan 8.240 nan 0.000 0.499 8 V N 1.174 121.200 119.914 0.186 0.000 2.733 8 V HA 0.679 4.943 4.120 0.241 0.000 0.306 8 V C -1.709 174.411 176.094 0.042 0.000 1.084 8 V CA -0.433 61.921 62.300 0.090 0.000 0.905 8 V CB 1.774 33.598 31.823 0.002 0.000 1.010 8 V HN 1.064 nan 8.190 nan 0.000 0.424 9 E N 4.454 124.685 120.200 0.053 0.000 2.317 9 E HA 0.363 4.857 4.350 0.241 0.000 0.270 9 E C -1.455 175.191 176.600 0.078 0.000 0.885 9 E CA -0.644 55.786 56.400 0.049 0.000 0.760 9 E CB 2.729 32.513 29.700 0.140 0.000 1.227 9 E HN 0.752 nan 8.360 nan 0.000 0.434 10 Q N 2.599 122.456 119.800 0.095 0.000 2.347 10 Q HA 0.439 4.923 4.340 0.241 0.000 0.262 10 Q C -1.022 175.099 176.000 0.202 0.000 0.980 10 Q CA -0.370 55.518 55.803 0.141 0.000 0.867 10 Q CB 0.558 29.378 28.738 0.138 0.000 1.242 10 Q HN 0.511 nan 8.270 nan 0.000 0.453 11 I N 5.182 125.857 120.570 0.174 0.000 2.502 11 I HA 0.378 4.693 4.170 0.241 0.000 0.276 11 I C 0.700 176.868 176.117 0.085 0.000 1.057 11 I CA -0.239 61.093 61.300 0.054 0.000 1.163 11 I CB 0.982 38.817 38.000 -0.274 0.000 1.288 11 I HN 1.016 nan 8.210 nan 0.000 0.479 12 G N 5.080 113.924 108.800 0.073 0.000 2.531 12 G HA2 -0.293 3.811 3.960 0.241 0.000 0.274 12 G HA3 -0.293 3.811 3.960 0.241 0.000 0.274 12 G C 0.258 175.206 174.900 0.080 0.000 1.159 12 G CA 0.313 45.451 45.100 0.064 0.000 0.969 12 G HN 0.528 nan 8.290 nan 0.000 0.554 13 D N 1.356 121.792 120.400 0.062 0.000 2.328 13 D HA 0.405 5.189 4.640 0.241 0.000 0.226 13 D C 0.690 177.026 176.300 0.059 0.000 1.066 13 D CA 0.888 54.911 54.000 0.039 0.000 0.861 13 D CB 0.387 41.192 40.800 0.009 0.000 0.912 13 D HN 0.314 nan 8.370 nan 0.000 0.521 14 S N 0.447 116.216 115.700 0.116 0.000 2.454 14 S HA 0.403 5.018 4.470 0.241 0.000 0.306 14 S C -0.190 174.499 174.600 0.149 0.000 1.100 14 S CA -0.700 57.569 58.200 0.115 0.000 1.087 14 S CB 1.602 64.930 63.200 0.213 0.000 1.019 14 S HN -0.007 nan 8.310 nan 0.000 0.480 15 I N 3.557 124.108 120.570 -0.031 0.000 2.325 15 I HA 0.306 4.621 4.170 0.241 0.000 0.291 15 I C -0.779 175.210 176.117 -0.212 0.000 1.019 15 I CA -0.305 60.898 61.300 -0.162 0.000 1.302 15 I CB 0.226 37.879 38.000 -0.579 0.000 1.401 15 I HN 0.563 nan 8.210 nan 0.000 0.485 16 F N 5.296 125.087 119.950 -0.265 0.000 2.385 16 F HA 0.329 5.000 4.527 0.241 0.000 0.360 16 F C 0.742 176.436 175.800 -0.178 0.000 1.122 16 F CA -0.381 57.432 58.000 -0.312 0.000 1.090 16 F CB 1.095 39.700 39.000 -0.658 0.000 1.150 16 F HN 0.428 nan 8.300 nan 0.000 0.472 17 E N 4.719 124.941 120.200 0.037 0.000 2.210 17 E HA 0.456 4.950 4.350 0.241 0.000 0.266 17 E C -0.988 175.820 176.600 0.347 0.000 0.883 17 E CA -0.937 55.573 56.400 0.183 0.000 0.761 17 E CB 1.350 31.136 29.700 0.143 0.000 1.156 17 E HN 0.615 nan 8.360 nan 0.000 0.412 18 R N 3.000 123.735 120.500 0.392 0.000 2.460 18 R HA 0.431 4.916 4.340 0.241 0.000 0.303 18 R C -1.010 175.544 176.300 0.424 0.000 0.968 18 R CA -0.590 55.731 56.100 0.367 0.000 0.889 18 R CB 1.058 31.503 30.300 0.242 0.000 1.123 18 R HN 0.448 nan 8.270 nan 0.000 0.455 19 Y N -0.371 119.988 120.300 0.098 0.000 2.705 19 Y HA 0.573 5.268 4.550 0.241 0.000 0.332 19 Y C -1.394 174.427 175.900 -0.132 0.000 1.221 19 Y CA -1.653 56.468 58.100 0.036 0.000 1.059 19 Y CB 1.059 39.635 38.460 0.192 0.000 1.298 19 Y HN 0.191 nan 8.280 nan 0.000 0.459 20 I N 3.323 123.661 120.570 -0.387 0.000 2.378 20 I HA 0.230 4.544 4.170 0.241 0.000 0.291 20 I C -0.522 175.449 176.117 -0.243 0.000 0.992 20 I CA -0.568 60.409 61.300 -0.539 0.000 1.154 20 I CB 1.017 38.436 38.000 -0.967 0.000 1.315 20 I HN 0.853 nan 8.210 nan 0.000 0.448 21 D N 3.839 124.108 120.400 -0.219 0.000 2.433 21 D HA 0.068 4.852 4.640 0.241 0.000 0.255 21 D C 1.102 177.430 176.300 0.047 0.000 1.226 21 D CA -0.432 53.579 54.000 0.017 0.000 1.015 21 D CB 0.481 41.273 40.800 -0.015 0.000 1.091 21 D HN 0.445 nan 8.370 nan 0.000 0.527 22 S N -0.967 114.788 115.700 0.091 0.000 2.507 22 S HA -0.125 4.490 4.470 0.241 0.000 0.235 22 S C 0.787 175.415 174.600 0.046 0.000 0.988 22 S CA 0.257 58.505 58.200 0.080 0.000 0.944 22 S CB -0.527 62.719 63.200 0.077 0.000 0.762 22 S HN 0.474 nan 8.310 nan 0.000 0.526 23 N N 1.065 119.779 118.700 0.022 0.000 2.236 23 N HA 0.234 5.119 4.740 0.241 0.000 0.196 23 N C 1.130 176.638 175.510 -0.003 0.000 1.114 23 N CA 0.695 53.750 53.050 0.008 0.000 0.859 23 N CB 0.668 39.155 38.487 0.000 0.000 0.982 23 N HN 0.639 nan 8.380 nan 0.000 0.493 24 G N 1.161 109.956 108.800 -0.009 0.000 2.141 24 G HA2 -0.282 3.823 3.960 0.241 0.000 0.242 24 G HA3 -0.282 3.823 3.960 0.241 0.000 0.242 24 G C 0.034 174.898 174.900 -0.060 0.000 0.982 24 G CA -0.273 44.818 45.100 -0.014 0.000 0.662 24 G HN 0.298 nan 8.290 nan 0.000 0.527 25 R N 0.219 120.661 120.500 -0.097 0.000 2.540 25 R HA 0.572 5.056 4.340 0.241 0.000 0.287 25 R C 0.012 176.184 176.300 -0.214 0.000 0.980 25 R CA -0.696 55.329 56.100 -0.124 0.000 0.966 25 R CB 1.391 31.631 30.300 -0.100 0.000 1.106 25 R HN 0.318 nan 8.270 nan 0.000 0.480 26 E N 2.141 122.226 120.200 -0.192 0.000 2.229 26 E HA 0.163 4.658 4.350 0.241 0.000 0.283 26 E C -0.598 175.848 176.600 -0.258 0.000 1.030 26 E CA -0.213 56.044 56.400 -0.238 0.000 0.836 26 E CB 0.794 30.401 29.700 -0.155 0.000 1.068 26 E HN 0.262 nan 8.360 nan 0.000 0.401 27 R N 1.334 121.587 120.500 -0.413 0.000 2.922 27 R HA 0.550 5.035 4.340 0.241 0.000 0.256 27 R C -1.326 174.894 176.300 -0.133 0.000 1.138 27 R CA -0.521 55.390 56.100 -0.315 0.000 0.995 27 R CB 2.339 32.368 30.300 -0.450 0.000 1.226 27 R HN 0.454 nan 8.270 nan 0.000 0.481 28 T N 0.113 114.722 114.554 0.092 0.000 2.982 28 T HA 0.614 5.109 4.350 0.241 0.000 0.321 28 T C -2.003 172.834 174.700 0.228 0.000 1.229 28 T CA -0.849 61.396 62.100 0.243 0.000 1.044 28 T CB 0.686 69.680 68.868 0.209 0.000 1.184 28 T HN 0.659 nan 8.240 nan 0.000 0.477 29 R N 2.404 123.016 120.500 0.187 0.000 2.626 29 R HA 0.616 5.101 4.340 0.241 0.000 0.274 29 R C -1.234 174.957 176.300 -0.182 0.000 1.031 29 R CA -1.075 55.043 56.100 0.029 0.000 0.898 29 R CB 1.807 32.146 30.300 0.065 0.000 1.222 29 R HN 0.586 nan 8.270 nan 0.000 0.455 30 E N 2.638 122.643 120.200 -0.325 0.000 2.156 30 E HA 0.381 4.875 4.350 0.241 0.000 0.279 30 E C -1.281 175.129 176.600 -0.317 0.000 0.965 30 E CA -0.882 55.152 56.400 -0.610 0.000 0.789 30 E CB 1.862 31.064 29.700 -0.829 0.000 1.098 30 E HN 0.414 nan 8.360 nan 0.000 0.397 31 V N 4.918 124.671 119.914 -0.267 0.000 2.531 31 V HA 0.114 4.379 4.120 0.241 0.000 0.301 31 V C -0.216 175.855 176.094 -0.038 0.000 1.034 31 V CA -0.798 61.450 62.300 -0.088 0.000 0.865 31 V CB 1.707 33.549 31.823 0.032 0.000 0.995 31 V HN 0.787 nan 8.190 nan 0.000 0.424 32 E N 4.630 124.830 120.200 0.000 0.000 2.110 32 E HA 0.097 4.592 4.350 0.241 0.000 0.300 32 E C -0.475 176.170 176.600 0.075 0.000 1.278 32 E CA -0.556 55.857 56.400 0.021 0.000 1.365 32 E CB 0.162 29.857 29.700 -0.008 0.000 1.283 32 E HN 0.617 nan 8.360 nan 0.000 0.490 33 Y N 2.688 122.982 120.300 -0.010 0.000 2.712 33 Y HA -0.050 4.644 4.550 0.241 0.000 0.333 33 Y C -0.107 175.782 175.900 -0.017 0.000 1.225 33 Y CA -0.080 58.045 58.100 0.041 0.000 1.499 33 Y CB 0.686 39.224 38.460 0.131 0.000 1.288 33 Y HN 0.169 nan 8.280 nan 0.000 0.575 34 K N 9.099 129.151 120.400 -0.581 0.000 2.347 34 K HA 0.291 4.756 4.320 0.241 0.000 0.262 34 K C -2.644 173.465 176.600 -0.819 0.000 1.052 34 K CA -1.717 54.253 56.287 -0.529 0.000 0.946 34 K CB 1.013 33.338 32.500 -0.292 0.000 1.220 34 K HN 0.489 nan 8.250 nan 0.000 0.450 35 P HA 0.205 nan 4.420 nan 0.000 0.278 35 P C -0.710 176.464 177.300 -0.211 0.000 1.258 35 P CA -0.576 62.234 63.100 -0.484 0.000 0.811 35 P CB 1.247 32.655 31.700 -0.487 0.000 1.063 36 S N 0.579 116.210 115.700 -0.115 0.000 2.500 36 S HA 0.627 5.242 4.470 0.241 0.000 0.301 36 S C -0.091 174.374 174.600 -0.224 0.000 1.092 36 S CA -0.525 57.504 58.200 -0.285 0.000 1.030 36 S CB 0.712 63.656 63.200 -0.426 0.000 1.031 36 S HN 0.293 nan 8.310 nan 0.000 0.483 37 L N 1.606 122.616 121.223 -0.356 0.000 2.230 37 L HA 0.767 5.252 4.340 0.241 0.000 0.255 37 L C -1.434 175.015 176.870 -0.701 0.000 1.039 37 L CA -0.929 53.807 54.840 -0.173 0.000 0.846 37 L CB 1.164 43.466 42.059 0.406 0.000 1.419 37 L HN 0.540 nan 8.230 nan 0.000 0.435 38 F N -0.224 119.804 119.950 0.131 0.000 2.599 38 F HA 0.786 5.459 4.527 0.242 0.000 0.311 38 F C -0.052 175.866 175.800 0.197 0.000 1.076 38 F CA -0.682 57.337 58.000 0.033 0.000 0.937 38 F CB 2.039 41.010 39.000 -0.048 0.000 1.282 38 F HN 0.363 nan 8.300 nan 0.000 0.460 39 A N 0.546 123.532 122.820 0.277 0.000 2.413 39 A HA 0.623 5.087 4.320 0.241 0.000 0.307 39 A C -1.222 176.405 177.584 0.073 0.000 1.087 39 A CA -0.746 51.423 52.037 0.220 0.000 0.750 39 A CB 0.795 19.999 19.000 0.340 0.000 1.296 39 A HN 0.764 nan 8.150 nan 0.000 0.423 40 H N 0.332 119.499 119.070 0.161 0.000 2.964 40 H HA 0.241 4.941 4.556 0.240 0.000 0.328 40 H C 0.530 175.905 175.328 0.079 0.000 1.030 40 H CA 0.771 56.881 56.048 0.102 0.000 1.445 40 H CB 0.362 30.175 29.762 0.085 0.000 1.449 40 H HN 0.860 nan 8.280 nan 0.000 0.581 41 C N 3.602 122.997 119.300 0.158 0.000 2.470 41 C HA 0.610 5.215 4.460 0.241 0.000 0.341 41 C C -2.311 172.721 174.990 0.069 0.000 1.190 41 C CA -2.416 56.657 59.018 0.092 0.000 1.904 41 C CB 1.307 29.077 27.740 0.050 0.000 2.354 41 C HN 0.497 nan 8.230 nan 0.000 0.509 42 P HA 0.172 nan 4.420 nan 0.000 0.268 42 P C -0.241 177.075 177.300 0.028 0.000 1.208 42 P CA 0.244 63.367 63.100 0.037 0.000 0.777 42 P CB 0.353 32.071 31.700 0.031 0.000 0.875 43 E N 0.752 120.970 120.200 0.030 0.000 2.860 43 E HA 0.057 4.551 4.350 0.241 0.000 0.318 43 E C -0.106 176.512 176.600 0.031 0.000 1.481 43 E CA 0.411 56.831 56.400 0.034 0.000 1.613 43 E CB -0.995 28.731 29.700 0.044 0.000 1.279 43 E HN 0.249 nan 8.360 nan 0.000 0.489 44 S N 0.580 116.294 115.700 0.024 0.000 2.658 44 S HA 0.027 4.642 4.470 0.241 0.000 0.277 44 S C 0.162 174.773 174.600 0.018 0.000 1.078 44 S CA -0.479 57.734 58.200 0.022 0.000 1.124 44 S CB 0.363 63.575 63.200 0.019 0.000 1.016 44 S HN 0.329 nan 8.310 nan 0.000 0.543 45 Q N 2.451 122.258 119.800 0.011 0.000 2.369 45 Q HA 0.562 5.046 4.340 0.241 0.000 0.247 45 Q C -0.200 175.801 176.000 0.002 0.000 1.083 45 Q CA -0.335 55.472 55.803 0.007 0.000 0.905 45 Q CB 0.577 29.318 28.738 0.005 0.000 1.305 45 Q HN 0.402 nan 8.270 nan 0.000 0.465 46 A N 4.122 126.951 122.820 0.016 0.000 3.017 46 A HA 0.063 4.528 4.320 0.241 0.000 0.283 46 A C 0.323 177.920 177.584 0.021 0.000 1.892 46 A CA 0.254 52.308 52.037 0.027 0.000 1.469 46 A CB -0.445 18.574 19.000 0.031 0.000 0.999 46 A HN 0.636 nan 8.150 nan 0.000 0.605 47 T N 0.000 114.552 114.554 -0.003 0.000 2.936 47 T HA 0.444 4.938 4.350 0.241 0.000 0.282 47 T C 1.065 175.763 174.700 -0.003 0.000 1.003 47 T CA -0.311 61.787 62.100 -0.004 0.000 1.005 47 T CB 0.714 69.592 68.868 0.016 0.000 1.097 47 T HN 0.636 nan 8.240 nan 0.000 0.532 48 K N 1.136 121.478 120.400 -0.097 0.000 2.399 48 K HA 0.181 4.645 4.320 0.241 0.000 0.204 48 K C -0.960 175.534 176.600 -0.177 0.000 1.023 48 K CA -0.374 55.851 56.287 -0.103 0.000 1.127 48 K CB 0.102 32.468 32.500 -0.223 0.000 0.856 48 K HN 0.511 nan 8.250 nan 0.000 0.514 49 Y N 0.576 120.917 120.300 0.067 0.000 2.335 49 Y HA 0.463 5.157 4.550 0.240 0.000 0.338 49 Y C -0.537 175.268 175.900 -0.157 0.000 0.977 49 Y CA -1.215 56.894 58.100 0.015 0.000 1.114 49 Y CB 1.000 39.435 38.460 -0.043 0.000 1.182 49 Y HN -0.133 nan 8.280 nan 0.000 0.463 50 F N 1.470 121.469 119.950 0.082 0.000 2.588 50 F HA 0.299 4.971 4.527 0.241 0.000 0.314 50 F C -0.130 175.686 175.800 0.027 0.000 1.069 50 F CA -1.415 56.623 58.000 0.063 0.000 0.931 50 F CB 1.434 40.459 39.000 0.041 0.000 1.260 50 F HN 0.509 nan 8.300 nan 0.000 0.465 51 D N 1.106 121.647 120.400 0.235 0.000 2.398 51 D HA 0.101 4.886 4.640 0.241 0.000 0.247 51 D C 1.416 177.778 176.300 0.102 0.000 1.227 51 D CA -0.330 53.766 54.000 0.160 0.000 0.980 51 D CB 0.391 41.353 40.800 0.269 0.000 1.106 51 D HN 0.618 nan 8.370 nan 0.000 0.493 52 I N -2.482 118.054 120.570 -0.057 0.000 2.335 52 I HA -0.248 4.067 4.170 0.241 0.000 0.251 52 I C 1.286 177.260 176.117 -0.237 0.000 1.129 52 I CA 0.975 62.147 61.300 -0.214 0.000 1.402 52 I CB -0.717 37.067 38.000 -0.361 0.000 1.069 52 I HN 0.248 nan 8.210 nan 0.000 0.424 53 Y N 2.303 122.671 120.300 0.113 0.000 2.529 53 Y HA 0.309 5.001 4.550 0.237 0.000 0.290 53 Y C 1.936 177.894 175.900 0.096 0.000 1.177 53 Y CA 0.392 58.547 58.100 0.091 0.000 1.305 53 Y CB -0.139 38.378 38.460 0.094 0.000 1.047 53 Y HN 0.439 nan 8.280 nan 0.000 0.522 54 G N 0.714 109.660 108.800 0.244 0.000 2.142 54 G HA2 -0.248 3.856 3.960 0.241 0.000 0.225 54 G HA3 -0.248 3.856 3.960 0.241 0.000 0.225 54 G C -0.192 174.966 174.900 0.429 0.000 1.015 54 G CA -0.452 44.809 45.100 0.268 0.000 0.716 54 G HN 0.335 nan 8.290 nan 0.000 0.508 55 K N 1.151 121.783 120.400 0.386 0.000 2.138 55 K HA 0.515 4.980 4.320 0.241 0.000 0.263 55 K C -2.457 174.266 176.600 0.205 0.000 0.965 55 K CA -2.059 54.409 56.287 0.302 0.000 0.868 55 K CB 2.302 34.939 32.500 0.228 0.000 1.083 55 K HN 0.063 nan 8.250 nan 0.000 0.443 56 P HA 0.060 nan 4.420 nan 0.000 0.271 56 P C -0.628 176.635 177.300 -0.062 0.000 1.216 56 P CA -0.342 62.564 63.100 -0.323 0.000 0.776 56 P CB 0.547 32.081 31.700 -0.276 0.000 0.881 57 C N 1.725 120.960 119.300 -0.107 0.000 2.547 57 C HA 0.508 5.113 4.460 0.241 0.000 0.313 57 C C 0.264 175.313 174.990 0.098 0.000 1.191 57 C CA -0.257 58.780 59.018 0.032 0.000 1.474 57 C CB 1.708 29.468 27.740 0.032 0.000 2.081 57 C HN 0.587 nan 8.230 nan 0.000 0.476 58 T N 0.513 115.128 114.554 0.102 0.000 2.845 58 T HA 0.455 4.950 4.350 0.241 0.000 0.288 58 T C -0.216 174.499 174.700 0.024 0.000 0.980 58 T CA -0.578 61.567 62.100 0.075 0.000 1.071 58 T CB 0.867 69.741 68.868 0.010 0.000 0.941 58 T HN 0.739 nan 8.240 nan 0.000 0.487 59 R N 1.787 122.242 120.500 -0.076 0.000 2.389 59 R HA 0.231 4.715 4.340 0.241 0.000 0.295 59 R C -0.505 175.457 176.300 -0.563 0.000 1.075 59 R CA -0.357 55.454 56.100 -0.482 0.000 1.005 59 R CB 0.357 30.380 30.300 -0.462 0.000 0.987 59 R HN 0.606 nan 8.270 nan 0.000 0.452 60 K N 5.750 125.641 120.400 -0.848 0.000 2.449 60 K HA 0.222 4.686 4.320 0.241 0.000 0.257 60 K C -0.875 175.033 176.600 -1.152 0.000 0.989 60 K CA -0.662 55.025 56.287 -0.999 0.000 0.916 60 K CB 1.420 33.144 32.500 -1.292 0.000 1.136 60 K HN 0.376 nan 8.250 nan 0.000 0.439 61 L N 5.518 126.232 121.223 -0.848 0.000 2.261 61 L HA 0.387 4.871 4.340 0.241 0.000 0.289 61 L C -1.020 175.450 176.870 -0.666 0.000 1.059 61 L CA -0.112 54.346 54.840 -0.636 0.000 0.816 61 L CB -0.287 41.538 42.059 -0.390 0.000 1.191 61 L HN 0.451 nan 8.230 nan 0.000 0.431 62 F N 3.094 122.826 119.950 -0.364 0.000 2.371 62 F HA 0.344 5.015 4.527 0.240 0.000 0.329 62 F C 1.560 177.202 175.800 -0.264 0.000 1.107 62 F CA -0.048 57.764 58.000 -0.312 0.000 1.137 62 F CB 1.098 39.903 39.000 -0.324 0.000 1.214 62 F HN 0.643 nan 8.300 nan 0.000 0.536 63 A N 1.795 124.607 122.820 -0.015 0.000 1.930 63 A HA -0.047 4.417 4.320 0.241 0.000 0.217 63 A C 0.384 177.925 177.584 -0.073 0.000 1.175 63 A CA 1.771 53.773 52.037 -0.059 0.000 0.627 63 A CB -0.870 18.105 19.000 -0.041 0.000 0.815 63 A HN 0.880 nan 8.150 nan 0.000 0.443 64 N N -4.195 114.462 118.700 -0.070 0.000 3.039 64 N HA 0.428 5.313 4.740 0.241 0.000 0.257 64 N C -0.087 175.290 175.510 -0.221 0.000 1.497 64 N CA -0.583 52.394 53.050 -0.122 0.000 0.861 64 N CB 0.317 38.759 38.487 -0.075 0.000 1.479 64 N HN -0.065 nan 8.380 nan 0.000 0.547 65 M N -0.589 118.860 119.600 -0.252 0.000 2.349 65 M HA 0.121 4.745 4.480 0.241 0.000 0.266 65 M C 1.989 178.149 176.300 -0.233 0.000 1.076 65 M CA 0.747 55.790 55.300 -0.429 0.000 1.126 65 M CB -0.108 32.323 32.600 -0.281 0.000 1.392 65 M HN 0.594 nan 8.290 nan 0.000 0.440 66 R N 0.937 121.368 120.500 -0.114 0.000 2.073 66 R HA -0.160 4.325 4.340 0.241 0.000 0.234 66 R C 1.241 177.483 176.300 -0.096 0.000 1.134 66 R CA 1.745 57.811 56.100 -0.056 0.000 0.952 66 R CB -0.142 30.143 30.300 -0.026 0.000 0.850 66 R HN 0.295 nan 8.270 nan 0.000 0.433 67 D N 0.232 120.549 120.400 -0.138 0.000 2.218 67 D HA -0.110 4.674 4.640 0.241 0.000 0.204 67 D C 1.622 177.669 176.300 -0.422 0.000 0.976 67 D CA 1.252 55.161 54.000 -0.151 0.000 0.853 67 D CB -0.074 40.703 40.800 -0.039 0.000 0.939 67 D HN 0.372 nan 8.370 nan 0.000 0.481 68 A N 0.572 122.967 122.820 -0.709 0.000 1.854 68 A HA -0.104 4.361 4.320 0.241 0.000 0.214 68 A C 2.445 179.874 177.584 -0.259 0.000 1.192 68 A CA 1.478 52.856 52.037 -1.098 0.000 0.611 68 A CB -0.561 17.858 19.000 -0.968 0.000 0.832 68 A HN 0.133 nan 8.150 nan 0.000 0.442 69 S N -0.188 115.510 115.700 -0.004 0.000 2.400 69 S HA -0.172 4.442 4.470 0.241 0.000 0.232 69 S C 2.141 176.755 174.600 0.022 0.000 1.025 69 S CA 1.346 59.605 58.200 0.099 0.000 0.993 69 S CB -0.278 63.006 63.200 0.140 0.000 0.808 69 S HN 0.539 nan 8.310 nan 0.000 0.478 70 Q N -0.221 119.572 119.800 -0.012 0.000 2.046 70 Q HA -0.100 4.384 4.340 0.241 0.000 0.200 70 Q C 1.825 177.853 176.000 0.046 0.000 0.975 70 Q CA 1.207 57.016 55.803 0.010 0.000 0.836 70 Q CB -0.558 28.187 28.738 0.011 0.000 0.896 70 Q HN 0.759 nan 8.270 nan 0.000 0.428 71 W N 1.472 122.684 121.300 -0.147 0.000 2.338 71 W HA -0.157 4.647 4.660 0.240 0.000 0.304 71 W C 1.850 178.353 176.519 -0.027 0.000 1.212 71 W CA 1.265 58.570 57.345 -0.067 0.000 1.264 71 W CB -0.415 29.003 29.460 -0.071 0.000 1.142 71 W HN 0.063 nan 8.180 nan 0.000 0.512 72 I N 0.596 121.129 120.570 -0.061 0.000 2.208 72 I HA -0.352 3.963 4.170 0.241 0.000 0.245 72 I C 2.556 178.541 176.117 -0.221 0.000 1.097 72 I CA 1.929 63.110 61.300 -0.199 0.000 1.363 72 I CB -0.666 37.321 38.000 -0.021 0.000 1.051 72 I HN -0.039 nan 8.210 nan 0.000 0.413 73 K N 0.887 121.210 120.400 -0.127 0.000 2.057 73 K HA -0.129 4.336 4.320 0.241 0.000 0.206 73 K C 2.333 178.856 176.600 -0.128 0.000 1.050 73 K CA 1.110 57.336 56.287 -0.101 0.000 0.935 73 K CB 0.029 32.498 32.500 -0.051 0.000 0.715 73 K HN 0.168 nan 8.250 nan 0.000 0.439 74 R N -0.250 120.162 120.500 -0.147 0.000 2.092 74 R HA -0.045 4.440 4.340 0.241 0.000 0.231 74 R C 2.286 178.456 176.300 -0.217 0.000 1.119 74 R CA 1.163 57.179 56.100 -0.139 0.000 0.970 74 R CB -0.107 30.146 30.300 -0.077 0.000 0.864 74 R HN 0.258 nan 8.270 nan 0.000 0.440 75 M N 0.338 119.699 119.600 -0.398 0.000 2.132 75 M HA -0.141 4.484 4.480 0.241 0.000 0.263 75 M C 2.035 178.191 176.300 -0.240 0.000 1.065 75 M CA 1.445 56.494 55.300 -0.419 0.000 1.122 75 M CB -0.756 31.410 32.600 -0.723 0.000 1.365 75 M HN 0.188 nan 8.290 nan 0.000 0.411 76 E N 0.451 120.527 120.200 -0.206 0.000 2.058 76 E HA -0.231 4.263 4.350 0.241 0.000 0.194 76 E C 0.963 177.504 176.600 -0.099 0.000 0.997 76 E CA 1.441 57.761 56.400 -0.133 0.000 0.801 76 E CB 0.103 29.736 29.700 -0.112 0.000 0.746 76 E HN 0.350 nan 8.360 nan 0.000 0.450 77 D N -0.376 119.968 120.400 -0.093 0.000 2.363 77 D HA 0.001 4.786 4.640 0.241 0.000 0.226 77 D C 1.350 177.615 176.300 -0.059 0.000 1.020 77 D CA 0.417 54.378 54.000 -0.065 0.000 0.892 77 D CB 0.196 40.964 40.800 -0.053 0.000 0.900 77 D HN 0.273 nan 8.370 nan 0.000 0.531 78 I N -1.229 119.297 120.570 -0.074 0.000 3.854 78 I HA 0.119 4.434 4.170 0.241 0.000 0.312 78 I C 1.468 177.555 176.117 -0.050 0.000 1.273 78 I CA 0.328 61.595 61.300 -0.056 0.000 1.298 78 I CB 0.584 38.549 38.000 -0.058 0.000 1.071 78 I HN 0.088 nan 8.210 nan 0.000 0.428 79 G N 1.426 110.188 108.800 -0.064 0.000 2.141 79 G HA2 -0.209 3.896 3.960 0.241 0.000 0.231 79 G HA3 -0.209 3.896 3.960 0.241 0.000 0.231 79 G C 0.057 174.931 174.900 -0.043 0.000 0.984 79 G CA -0.382 44.687 45.100 -0.051 0.000 0.660 79 G HN 0.204 nan 8.290 nan 0.000 0.525 80 L N 0.597 121.784 121.223 -0.060 0.000 2.317 80 L HA 0.511 4.995 4.340 0.241 0.000 0.281 80 L C 0.764 177.603 176.870 -0.052 0.000 1.024 80 L CA -0.893 53.930 54.840 -0.028 0.000 0.810 80 L CB 1.731 43.785 42.059 -0.008 0.000 1.240 80 L HN 0.239 nan 8.230 nan 0.000 0.427 81 E N 1.981 122.199 120.200 0.029 0.000 2.465 81 E HA 0.186 4.680 4.350 0.241 0.000 0.260 81 E C -0.544 176.048 176.600 -0.013 0.000 0.980 81 E CA -0.307 56.112 56.400 0.031 0.000 0.927 81 E CB 0.897 30.683 29.700 0.142 0.000 0.934 81 E HN 0.627 nan 8.360 nan 0.000 0.459 82 A N 5.902 128.683 122.820 -0.066 0.000 2.322 82 A HA 0.357 4.822 4.320 0.241 0.000 0.327 82 A C -0.768 176.912 177.584 0.160 0.000 1.394 82 A CA -0.617 51.405 52.037 -0.025 0.000 0.921 82 A CB 0.171 18.997 19.000 -0.291 0.000 1.153 82 A HN 0.523 nan 8.150 nan 0.000 0.523 83 L N 2.075 123.446 121.223 0.247 0.000 2.421 83 L HA 0.802 5.286 4.340 0.241 0.000 0.263 83 L C 1.016 178.124 176.870 0.396 0.000 1.122 83 L CA 1.093 56.074 54.840 0.234 0.000 0.804 83 L CB 0.992 43.130 42.059 0.131 0.000 1.150 83 L HN 1.150 nan 8.230 nan 0.000 0.457 84 G N 1.590 110.582 108.800 0.320 0.000 2.423 84 G HA2 0.020 4.125 3.960 0.241 0.000 0.684 84 G HA3 0.020 4.125 3.960 0.241 0.000 0.684 84 G C -1.064 173.961 174.900 0.208 0.000 1.309 84 G CA -0.836 44.508 45.100 0.407 0.000 0.950 84 G HN 0.505 nan 8.290 nan 0.000 0.587 85 M N 2.514 122.196 119.600 0.138 0.000 2.341 85 M HA 0.273 4.898 4.480 0.241 0.000 0.336 85 M C 1.632 177.860 176.300 -0.120 0.000 1.489 85 M CA -0.489 54.702 55.300 -0.182 0.000 1.278 85 M CB -0.079 32.094 32.600 -0.712 0.000 1.657 85 M HN 0.611 nan 8.290 nan 0.000 0.455 86 D N 1.656 121.930 120.400 -0.210 0.000 2.277 86 D HA -0.117 4.667 4.640 0.241 0.000 0.208 86 D C -0.232 175.565 176.300 -0.837 0.000 0.962 86 D CA 0.389 54.130 54.000 -0.431 0.000 0.865 86 D CB -0.227 40.435 40.800 -0.230 0.000 0.939 86 D HN 0.518 nan 8.370 nan 0.000 0.510 87 D N -0.042 120.051 120.400 -0.513 0.000 2.453 87 D HA 0.016 4.801 4.640 0.241 0.000 0.223 87 D C 0.483 176.601 176.300 -0.304 0.000 1.183 87 D CA -0.572 53.178 54.000 -0.418 0.000 0.933 87 D CB -0.092 40.572 40.800 -0.226 0.000 1.038 87 D HN -0.103 nan 8.370 nan 0.000 0.513 88 F N 2.667 122.632 119.950 0.025 0.000 2.216 88 F HA -0.153 4.519 4.527 0.242 0.000 0.300 88 F C 2.419 178.271 175.800 0.086 0.000 1.085 88 F CA 0.831 58.899 58.000 0.114 0.000 1.326 88 F CB -0.541 38.570 39.000 0.185 0.000 1.027 88 F HN 0.434 nan 8.300 nan 0.000 0.497 89 K N 0.694 121.182 120.400 0.146 0.000 2.283 89 K HA -0.102 4.363 4.320 0.241 0.000 0.202 89 K C 1.811 178.437 176.600 0.044 0.000 1.048 89 K CA 1.289 57.601 56.287 0.042 0.000 0.948 89 K CB -0.656 31.828 32.500 -0.026 0.000 0.742 89 K HN 0.346 nan 8.250 nan 0.000 0.458 90 L N 1.034 122.265 121.223 0.014 0.000 2.072 90 L HA -0.065 4.419 4.340 0.241 0.000 0.205 90 L C 2.848 179.801 176.870 0.137 0.000 1.079 90 L CA 1.085 55.936 54.840 0.018 0.000 0.752 90 L CB -0.622 41.384 42.059 -0.088 0.000 0.906 90 L HN 0.307 nan 8.230 nan 0.000 0.436 91 A N -0.479 122.415 122.820 0.123 0.000 1.902 91 A HA -0.301 4.163 4.320 0.241 0.000 0.217 91 A C 2.190 179.909 177.584 0.225 0.000 1.181 91 A CA 1.624 53.877 52.037 0.360 0.000 0.623 91 A CB -0.930 18.348 19.000 0.463 0.000 0.818 91 A HN 0.494 nan 8.150 nan 0.000 0.443 92 Y N 0.455 120.629 120.300 -0.210 0.000 2.165 92 Y HA -0.185 4.510 4.550 0.241 0.000 0.286 92 Y C 1.914 177.645 175.900 -0.283 0.000 1.155 92 Y CA 2.027 59.732 58.100 -0.658 0.000 1.164 92 Y CB -0.263 37.724 38.460 -0.787 0.000 0.978 92 Y HN 0.219 nan 8.280 nan 0.000 0.513 93 L N -1.126 120.079 121.223 -0.030 0.000 2.093 93 L HA -0.187 4.298 4.340 0.241 0.000 0.208 93 L C 2.813 179.669 176.870 -0.024 0.000 1.085 93 L CA 1.369 56.183 54.840 -0.044 0.000 0.755 93 L CB -0.826 41.166 42.059 -0.111 0.000 0.904 93 L HN 0.186 nan 8.230 nan 0.000 0.435 94 S N -0.162 115.575 115.700 0.062 0.000 2.359 94 S HA -0.222 4.392 4.470 0.241 0.000 0.224 94 S C 1.632 176.210 174.600 -0.037 0.000 1.035 94 S CA 1.860 60.097 58.200 0.062 0.000 1.018 94 S CB -0.183 63.141 63.200 0.207 0.000 0.876 94 S HN 0.417 nan 8.310 nan 0.000 0.448 95 D N 0.380 120.745 120.400 -0.058 0.000 2.097 95 D HA -0.028 4.756 4.640 0.241 0.000 0.197 95 D C 2.148 178.293 176.300 -0.259 0.000 0.984 95 D CA 1.618 55.559 54.000 -0.099 0.000 0.826 95 D CB -0.965 39.832 40.800 -0.006 0.000 0.973 95 D HN 0.433 nan 8.370 nan 0.000 0.460 96 T N -0.590 113.660 114.554 -0.507 0.000 2.867 96 T HA -0.134 4.361 4.350 0.241 0.000 0.268 96 T C 0.513 174.693 174.700 -0.867 0.000 1.057 96 T CA 0.883 62.523 62.100 -0.767 0.000 1.136 96 T CB -0.203 67.961 68.868 -1.173 0.000 0.874 96 T HN 0.200 nan 8.240 nan 0.000 0.466 97 Y N 1.450 121.578 120.300 -0.287 0.000 2.747 97 Y HA 0.429 5.123 4.550 0.241 0.000 0.362 97 Y C 0.384 175.983 175.900 -0.501 0.000 1.026 97 Y CA -1.234 56.575 58.100 -0.484 0.000 1.135 97 Y CB 0.047 38.309 38.460 -0.329 0.000 1.175 97 Y HN -0.083 nan 8.280 nan 0.000 0.643 98 N N 3.119 121.657 118.700 -0.270 0.000 3.303 98 N HA 0.119 5.004 4.740 0.241 0.000 0.304 98 N C -1.518 174.031 175.510 0.066 0.000 1.302 98 N CA -0.050 52.951 53.050 -0.081 0.000 1.213 98 N CB -0.577 37.910 38.487 -0.000 0.000 1.481 98 N HN 0.563 nan 8.380 nan 0.000 0.546 99 Y N -2.435 117.926 120.300 0.101 0.000 2.702 99 Y HA 0.290 4.984 4.550 0.241 0.000 0.336 99 Y C -0.444 175.513 175.900 0.094 0.000 1.203 99 Y CA -1.470 56.681 58.100 0.085 0.000 1.072 99 Y CB 0.463 38.978 38.460 0.092 0.000 1.327 99 Y HN -0.001 nan 8.280 nan 0.000 0.456 100 E N 2.340 122.715 120.200 0.292 0.000 2.292 100 E HA 0.236 4.730 4.350 0.241 0.000 0.265 100 E C -0.841 175.946 176.600 0.313 0.000 1.093 100 E CA -0.216 56.309 56.400 0.207 0.000 0.922 100 E CB 0.344 30.132 29.700 0.147 0.000 1.001 100 E HN 0.579 nan 8.360 nan 0.000 0.444 101 I N 4.939 125.654 120.570 0.242 0.000 2.598 101 I HA -0.032 4.283 4.170 0.241 0.000 0.284 101 I C 0.303 176.492 176.117 0.121 0.000 1.140 101 I CA 0.387 61.826 61.300 0.232 0.000 1.420 101 I CB 0.474 38.558 38.000 0.140 0.000 1.387 101 I HN 0.387 nan 8.210 nan 0.000 0.553 102 K N 7.259 127.695 120.400 0.059 0.000 2.357 102 K HA 0.248 4.713 4.320 0.241 0.000 0.251 102 K C -0.893 175.506 176.600 -0.335 0.000 1.069 102 K CA -0.415 55.807 56.287 -0.108 0.000 0.994 102 K CB 0.351 32.815 32.500 -0.059 0.000 1.411 102 K HN 0.363 nan 8.250 nan 0.000 0.450 103 Y N -0.913 118.998 120.300 -0.648 0.000 2.335 103 Y HA 0.600 5.295 4.550 0.240 0.000 0.323 103 Y C -0.198 175.205 175.900 -0.828 0.000 1.224 103 Y CA -1.110 56.198 58.100 -1.320 0.000 1.241 103 Y CB 1.018 38.453 38.460 -1.709 0.000 1.235 103 Y HN 0.265 nan 8.280 nan 0.000 0.492 104 D N 1.420 121.362 120.400 -0.764 0.000 2.453 104 D HA 0.094 4.878 4.640 0.241 0.000 0.238 104 D C 0.439 176.723 176.300 -0.028 0.000 1.088 104 D CA -0.521 53.307 54.000 -0.286 0.000 0.854 104 D CB 0.287 41.026 40.800 -0.101 0.000 1.076 104 D HN 0.923 nan 8.370 nan 0.000 0.533 105 H N 0.994 120.113 119.070 0.082 0.000 2.456 105 H HA -0.127 4.574 4.556 0.241 0.000 0.296 105 H C 1.556 176.974 175.328 0.151 0.000 1.079 105 H CA 1.952 58.120 56.048 0.201 0.000 1.322 105 H CB -0.353 29.538 29.762 0.215 0.000 1.388 105 H HN 0.306 nan 8.280 nan 0.000 0.538 106 T N -1.003 113.324 114.554 -0.378 0.000 2.929 106 T HA -0.115 4.379 4.350 0.241 0.000 0.271 106 T C 1.402 176.107 174.700 0.009 0.000 1.085 106 T CA 1.184 63.187 62.100 -0.162 0.000 1.125 106 T CB -0.109 68.623 68.868 -0.226 0.000 0.874 106 T HN 0.594 nan 8.240 nan 0.000 0.494 107 K N 0.599 121.043 120.400 0.072 0.000 2.367 107 K HA 0.328 4.792 4.320 0.241 0.000 0.194 107 K C 0.361 177.041 176.600 0.134 0.000 1.027 107 K CA -0.014 56.337 56.287 0.107 0.000 1.075 107 K CB 0.348 32.942 32.500 0.156 0.000 0.845 107 K HN 0.438 nan 8.250 nan 0.000 0.529 108 I N 2.587 123.270 120.570 0.190 0.000 2.325 108 I HA 0.131 4.445 4.170 0.241 0.000 0.291 108 I C 0.363 176.549 176.117 0.115 0.000 1.019 108 I CA -0.650 60.759 61.300 0.182 0.000 1.302 108 I CB 0.782 38.932 38.000 0.252 0.000 1.401 108 I HN -0.026 nan 8.210 nan 0.000 0.485 109 R N 6.304 126.835 120.500 0.052 0.000 2.291 109 R HA 0.327 4.812 4.340 0.241 0.000 0.333 109 R C -1.207 175.112 176.300 0.031 0.000 1.082 109 R CA -0.265 55.840 56.100 0.008 0.000 0.948 109 R CB 0.385 30.641 30.300 -0.074 0.000 1.009 109 R HN 0.465 nan 8.270 nan 0.000 0.460 110 V N 4.203 124.162 119.914 0.076 0.000 2.370 110 V HA 0.530 4.795 4.120 0.241 0.000 0.279 110 V C 0.059 176.224 176.094 0.119 0.000 1.029 110 V CA -0.733 61.639 62.300 0.120 0.000 0.870 110 V CB 1.270 33.205 31.823 0.186 0.000 0.984 110 V HN 0.861 nan 8.190 nan 0.000 0.451 111 A N 4.452 127.332 122.820 0.100 0.000 2.342 111 A HA 0.755 5.220 4.320 0.241 0.000 0.323 111 A C -0.427 177.266 177.584 0.182 0.000 1.125 111 A CA -0.674 51.408 52.037 0.075 0.000 0.785 111 A CB 1.127 20.071 19.000 -0.093 0.000 1.221 111 A HN 0.690 nan 8.150 nan 0.000 0.463 112 N N 1.560 120.414 118.700 0.256 0.000 2.399 112 N HA 0.685 5.570 4.740 0.241 0.000 0.284 112 N C -1.615 174.147 175.510 0.421 0.000 1.025 112 N CA -0.125 53.139 53.050 0.356 0.000 0.885 112 N CB 1.633 40.328 38.487 0.347 0.000 1.339 112 N HN 0.617 nan 8.380 nan 0.000 0.487 113 F N 1.077 121.139 119.950 0.188 0.000 2.685 113 F HA 0.738 5.410 4.527 0.241 0.000 0.315 113 F C -1.575 174.379 175.800 0.257 0.000 1.126 113 F CA -0.925 57.214 58.000 0.231 0.000 0.950 113 F CB 1.607 40.737 39.000 0.216 0.000 1.360 113 F HN 0.209 nan 8.300 nan 0.000 0.469 114 D N 0.808 121.241 120.400 0.056 0.000 2.622 114 D HA 0.614 5.399 4.640 0.241 0.000 0.255 114 D C -1.403 174.941 176.300 0.073 0.000 1.246 114 D CA -0.234 53.708 54.000 -0.097 0.000 0.795 114 D CB 2.575 43.397 40.800 0.037 0.000 1.369 114 D HN 0.902 nan 8.370 nan 0.000 0.425 115 I N -1.886 118.723 120.570 0.065 0.000 3.067 115 I HA 0.776 5.091 4.170 0.241 0.000 0.312 115 I C -0.854 175.323 176.117 0.100 0.000 1.073 115 I CA -0.652 60.701 61.300 0.088 0.000 1.016 115 I CB 2.280 40.302 38.000 0.036 0.000 1.227 115 I HN 0.008 nan 8.210 nan 0.000 0.456 116 E N 2.472 122.709 120.200 0.062 0.000 2.238 116 E HA 0.637 5.132 4.350 0.241 0.000 0.267 116 E C -1.386 175.282 176.600 0.113 0.000 0.887 116 E CA -0.754 55.676 56.400 0.051 0.000 0.769 116 E CB 2.867 32.498 29.700 -0.114 0.000 1.187 116 E HN 0.517 nan 8.360 nan 0.000 0.416 117 V N 1.878 121.854 119.914 0.103 0.000 2.488 117 V HA 0.219 4.484 4.120 0.241 0.000 0.293 117 V C -0.096 176.033 176.094 0.057 0.000 1.027 117 V CA -0.797 61.529 62.300 0.042 0.000 0.862 117 V CB 1.911 33.607 31.823 -0.213 0.000 1.008 117 V HN 0.587 nan 8.190 nan 0.000 0.428 118 T N 3.490 118.105 114.554 0.102 0.000 2.834 118 T HA 0.334 4.829 4.350 0.241 0.000 0.298 118 T C 0.202 174.755 174.700 -0.244 0.000 0.966 118 T CA 0.411 62.495 62.100 -0.026 0.000 1.141 118 T CB 0.864 69.728 68.868 -0.007 0.000 0.905 118 T HN 0.712 nan 8.240 nan 0.000 0.535 119 S N 4.069 119.537 115.700 -0.387 0.000 2.776 119 S HA 0.475 5.089 4.470 0.241 0.000 0.284 119 S C -2.269 172.052 174.600 -0.466 0.000 1.160 119 S CA -1.379 56.416 58.200 -0.676 0.000 1.051 119 S CB 1.355 64.148 63.200 -0.678 0.000 1.037 119 S HN 0.439 nan 8.310 nan 0.000 0.485 120 P HA 0.292 nan 4.420 nan 0.000 0.261 120 P C -0.642 176.584 177.300 -0.123 0.000 1.352 120 P CA 0.119 63.060 63.100 -0.265 0.000 0.891 120 P CB -0.421 31.108 31.700 -0.285 0.000 1.383 121 D N -1.517 118.819 120.400 -0.107 0.000 2.997 121 D HA 0.455 5.239 4.640 0.241 0.000 0.362 121 D C 0.610 176.927 176.300 0.029 0.000 1.298 121 D CA -0.600 53.401 54.000 0.003 0.000 0.756 121 D CB 0.117 40.964 40.800 0.078 0.000 1.216 121 D HN 0.137 nan 8.370 nan 0.000 0.496 122 G N 0.325 109.135 108.800 0.016 0.000 2.660 122 G HA2 -0.103 4.002 3.960 0.241 0.000 0.247 122 G HA3 -0.103 4.002 3.960 0.241 0.000 0.247 122 G C -0.693 174.267 174.900 0.100 0.000 1.328 122 G CA -0.827 44.323 45.100 0.083 0.000 0.884 122 G HN 0.444 nan 8.290 nan 0.000 0.531 123 F N 3.843 123.810 119.950 0.029 0.000 2.571 123 F HA 0.466 5.138 4.527 0.241 0.000 0.384 123 F C -0.913 174.946 175.800 0.097 0.000 1.058 123 F CA -1.487 56.535 58.000 0.036 0.000 1.200 123 F CB 0.504 39.534 39.000 0.050 0.000 1.077 123 F HN 0.307 nan 8.300 nan 0.000 0.558 124 P HA -0.057 nan 4.420 nan 0.000 0.263 124 P C -0.609 176.547 177.300 -0.239 0.000 1.345 124 P CA 0.201 63.171 63.100 -0.217 0.000 1.119 124 P CB 0.133 31.724 31.700 -0.182 0.000 1.363 125 E N 4.875 125.073 120.200 -0.003 0.000 2.406 125 E HA -0.020 4.475 4.350 0.241 0.000 0.258 125 E C -1.421 175.287 176.600 0.179 0.000 1.043 125 E CA -1.268 55.193 56.400 0.102 0.000 0.929 125 E CB 0.494 30.289 29.700 0.158 0.000 0.969 125 E HN 0.337 nan 8.360 nan 0.000 0.462 126 P HA -0.204 nan 4.420 nan 0.000 0.216 126 P C 1.582 178.853 177.300 -0.049 0.000 1.150 126 P CA 1.529 64.720 63.100 0.151 0.000 0.837 126 P CB 0.197 32.026 31.700 0.216 0.000 0.786 127 S N -1.033 114.684 115.700 0.029 0.000 2.356 127 S HA -0.250 4.365 4.470 0.241 0.000 0.223 127 S C 2.097 176.662 174.600 -0.058 0.000 1.032 127 S CA 1.319 59.517 58.200 -0.003 0.000 1.005 127 S CB -1.249 61.970 63.200 0.032 0.000 0.867 127 S HN 0.047 nan 8.310 nan 0.000 0.449 128 Q N 1.583 121.355 119.800 -0.046 0.000 2.049 128 Q HA 0.447 4.932 4.340 0.241 0.000 0.198 128 Q C 1.197 177.101 176.000 -0.160 0.000 0.971 128 Q CA 1.060 56.820 55.803 -0.073 0.000 0.833 128 Q CB -0.761 27.963 28.738 -0.023 0.000 0.896 128 Q HN 0.902 nan 8.270 nan 0.000 0.434 129 A N 0.965 123.653 122.820 -0.221 0.000 2.362 129 A HA -0.275 4.189 4.320 0.241 0.000 0.290 129 A C 0.675 178.124 177.584 -0.225 0.000 1.441 129 A CA 1.329 53.079 52.037 -0.477 0.000 0.743 129 A CB -1.731 16.745 19.000 -0.874 0.000 1.125 129 A HN 0.524 nan 8.150 nan 0.000 0.378 130 K N -0.622 119.693 120.400 -0.142 0.000 2.358 130 K HA 0.237 4.702 4.320 0.241 0.000 0.197 130 K C 0.000 176.425 176.600 -0.292 0.000 1.025 130 K CA 0.386 56.523 56.287 -0.250 0.000 1.104 130 K CB 0.274 32.584 32.500 -0.316 0.000 0.855 130 K HN 0.770 nan 8.250 nan 0.000 0.531 131 H N 1.459 120.670 119.070 0.236 0.000 2.466 131 H HA 0.351 5.052 4.556 0.241 0.000 0.338 131 H C -2.676 172.828 175.328 0.293 0.000 1.091 131 H CA -2.255 53.978 56.048 0.309 0.000 1.207 131 H CB 1.184 31.128 29.762 0.304 0.000 1.466 131 H HN -0.087 nan 8.280 nan 0.000 0.493 132 P HA -0.096 nan 4.420 nan 0.000 0.264 132 P C -0.174 177.260 177.300 0.224 0.000 1.173 132 P CA 0.525 63.743 63.100 0.197 0.000 0.761 132 P CB 0.569 32.337 31.700 0.115 0.000 0.794 133 I N 3.355 124.032 120.570 0.179 0.000 2.363 133 I HA 0.029 4.343 4.170 0.241 0.000 0.292 133 I C 0.978 177.168 176.117 0.121 0.000 1.075 133 I CA 0.289 61.667 61.300 0.130 0.000 1.333 133 I CB 0.527 38.587 38.000 0.100 0.000 1.415 133 I HN 0.410 nan 8.210 nan 0.000 0.502 134 D N 4.459 124.960 120.400 0.170 0.000 2.349 134 D HA 0.303 5.087 4.640 0.241 0.000 0.214 134 D C 0.180 176.651 176.300 0.284 0.000 1.063 134 D CA -0.080 54.054 54.000 0.224 0.000 0.847 134 D CB 0.633 41.579 40.800 0.243 0.000 0.933 134 D HN 0.398 nan 8.370 nan 0.000 0.513 135 A N 0.145 123.097 122.820 0.220 0.000 2.577 135 A HA 0.651 5.115 4.320 0.241 0.000 0.297 135 A C -1.670 175.990 177.584 0.128 0.000 1.060 135 A CA -0.858 51.299 52.037 0.201 0.000 0.697 135 A CB 1.021 20.133 19.000 0.186 0.000 1.281 135 A HN 0.145 nan 8.150 nan 0.000 0.402 136 I N 1.314 121.989 120.570 0.174 0.000 2.571 136 I HA 0.454 4.769 4.170 0.241 0.000 0.289 136 I C -0.608 175.736 176.117 0.378 0.000 1.115 136 I CA -0.432 60.974 61.300 0.176 0.000 1.045 136 I CB 2.703 40.614 38.000 -0.148 0.000 1.238 136 I HN 0.532 nan 8.210 nan 0.000 0.424 137 T N 3.347 118.134 114.554 0.387 0.000 2.792 137 T HA 0.375 4.869 4.350 0.241 0.000 0.280 137 T C -1.014 174.088 174.700 0.669 0.000 0.990 137 T CA -0.471 61.918 62.100 0.482 0.000 0.960 137 T CB 0.838 69.900 68.868 0.322 0.000 0.939 137 T HN 0.549 nan 8.240 nan 0.000 0.439 138 H N 2.175 121.650 119.070 0.675 0.000 2.970 138 H HA 0.419 5.120 4.556 0.241 0.000 0.315 138 H C -1.542 174.185 175.328 0.663 0.000 0.992 138 H CA -0.802 55.689 56.048 0.740 0.000 1.363 138 H CB 0.581 30.862 29.762 0.864 0.000 1.532 138 H HN 0.688 nan 8.280 nan 0.000 0.514 139 Y N 4.939 125.495 120.300 0.427 0.000 2.327 139 Y HA 0.183 4.878 4.550 0.241 0.000 0.336 139 Y C -0.536 175.515 175.900 0.251 0.000 1.035 139 Y CA -0.444 57.755 58.100 0.165 0.000 1.165 139 Y CB 0.721 39.063 38.460 -0.196 0.000 1.181 139 Y HN 0.624 nan 8.280 nan 0.000 0.494 140 D N 4.110 124.310 120.400 -0.332 0.000 2.329 140 D HA 0.050 4.835 4.640 0.241 0.000 0.232 140 D C 0.887 176.790 176.300 -0.662 0.000 1.088 140 D CA 0.228 54.078 54.000 -0.249 0.000 0.835 140 D CB 1.697 42.559 40.800 0.103 0.000 1.078 140 D HN 0.814 nan 8.370 nan 0.000 0.495 141 S N 3.790 119.294 115.700 -0.326 0.000 2.400 141 S HA -0.177 4.437 4.470 0.241 0.000 0.232 141 S C 1.976 176.554 174.600 -0.038 0.000 1.025 141 S CA 0.697 58.851 58.200 -0.076 0.000 0.993 141 S CB -0.215 63.075 63.200 0.151 0.000 0.808 141 S HN 0.650 nan 8.310 nan 0.000 0.478 142 I N 1.552 122.096 120.570 -0.044 0.000 2.406 142 I HA -0.058 4.256 4.170 0.241 0.000 0.249 142 I C 1.896 178.009 176.117 -0.007 0.000 1.122 142 I CA 1.203 62.499 61.300 -0.006 0.000 1.431 142 I CB -0.254 37.741 38.000 -0.009 0.000 1.087 142 I HN 0.254 nan 8.210 nan 0.000 0.424 143 D N 0.108 120.495 120.400 -0.022 0.000 2.289 143 D HA -0.116 4.669 4.640 0.241 0.000 0.207 143 D C 0.375 176.659 176.300 -0.026 0.000 0.966 143 D CA 0.787 54.800 54.000 0.022 0.000 0.868 143 D CB -0.147 40.738 40.800 0.142 0.000 0.943 143 D HN 0.173 nan 8.370 nan 0.000 0.514 144 D N 0.558 120.876 120.400 -0.136 0.000 2.705 144 D HA -0.170 4.615 4.640 0.241 0.000 0.240 144 D C -0.925 175.317 176.300 -0.097 0.000 1.137 144 D CA 0.546 54.486 54.000 -0.100 0.000 0.677 144 D CB -0.430 40.423 40.800 0.089 0.000 1.049 144 D HN 0.050 nan 8.370 nan 0.000 0.427 145 R N 0.523 120.837 120.500 -0.311 0.000 2.621 145 R HA 0.391 4.876 4.340 0.241 0.000 0.284 145 R C -0.588 175.549 176.300 -0.271 0.000 0.998 145 R CA -0.666 55.280 56.100 -0.257 0.000 0.895 145 R CB 0.660 30.707 30.300 -0.420 0.000 1.195 145 R HN 0.028 nan 8.270 nan 0.000 0.450 146 F N 3.053 123.015 119.950 0.021 0.000 2.368 146 F HA 0.307 4.979 4.527 0.241 0.000 0.362 146 F C 0.172 175.947 175.800 -0.042 0.000 1.137 146 F CA -0.446 57.645 58.000 0.152 0.000 1.161 146 F CB 0.369 39.458 39.000 0.148 0.000 1.265 146 F HN 0.308 nan 8.300 nan 0.000 0.530 147 Y N 2.442 122.918 120.300 0.293 0.000 2.436 147 Y HA 0.417 5.112 4.550 0.241 0.000 0.343 147 Y C 0.031 175.987 175.900 0.092 0.000 1.008 147 Y CA -0.724 57.407 58.100 0.050 0.000 1.241 147 Y CB 0.639 39.002 38.460 -0.162 0.000 1.153 147 Y HN 0.158 nan 8.280 nan 0.000 0.521 148 V N 5.728 125.639 119.914 -0.006 0.000 2.357 148 V HA 0.324 4.589 4.120 0.241 0.000 0.284 148 V C -0.731 175.294 176.094 -0.114 0.000 1.018 148 V CA -1.010 61.325 62.300 0.058 0.000 0.841 148 V CB 0.375 32.216 31.823 0.030 0.000 0.991 148 V HN 0.423 nan 8.190 nan 0.000 0.437 149 F N 2.968 123.017 119.950 0.165 0.000 2.388 149 F HA 0.584 5.255 4.527 0.241 0.000 0.358 149 F C 0.093 176.019 175.800 0.210 0.000 1.122 149 F CA -0.843 57.294 58.000 0.227 0.000 1.056 149 F CB 1.383 40.466 39.000 0.139 0.000 1.155 149 F HN 0.426 nan 8.300 nan 0.000 0.461 150 D N 3.512 124.157 120.400 0.408 0.000 2.502 150 D HA 0.348 5.133 4.640 0.241 0.000 0.249 150 D C -1.544 175.001 176.300 0.409 0.000 1.092 150 D CA -0.530 53.706 54.000 0.392 0.000 0.839 150 D CB 1.730 42.802 40.800 0.454 0.000 1.264 150 D HN 0.374 nan 8.370 nan 0.000 0.511 151 L N 5.008 126.437 121.223 0.344 0.000 2.265 151 L HA 0.349 4.834 4.340 0.241 0.000 0.288 151 L C 0.342 177.308 176.870 0.160 0.000 1.058 151 L CA -0.094 54.898 54.840 0.253 0.000 0.809 151 L CB 0.896 43.065 42.059 0.183 0.000 1.179 151 L HN 0.625 nan 8.230 nan 0.000 0.429 152 L N 3.505 124.798 121.223 0.117 0.000 2.249 152 L HA 0.194 4.678 4.340 0.241 0.000 0.207 152 L C 0.110 176.970 176.870 -0.017 0.000 1.090 152 L CA 0.230 55.074 54.840 0.007 0.000 0.802 152 L CB -0.191 41.891 42.059 0.039 0.000 0.947 152 L HN 0.618 nan 8.230 nan 0.000 0.453 153 N N 0.301 119.016 118.700 0.024 0.000 2.372 153 N HA 0.339 5.224 4.740 0.241 0.000 0.285 153 N C -0.936 174.573 175.510 -0.002 0.000 1.008 153 N CA 0.083 53.135 53.050 0.004 0.000 0.880 153 N CB 2.290 40.784 38.487 0.012 0.000 1.239 153 N HN -0.116 nan 8.380 nan 0.000 0.484 154 S N 1.424 117.108 115.700 -0.027 0.000 2.579 154 S HA 0.528 5.142 4.470 0.241 0.000 0.272 154 S C -2.098 172.429 174.600 -0.122 0.000 1.141 154 S CA -1.281 56.882 58.200 -0.062 0.000 0.843 154 S CB 1.648 64.841 63.200 -0.012 0.000 1.122 154 S HN 0.199 nan 8.310 nan 0.000 0.468 155 P HA -0.041 nan 4.420 nan 0.000 0.219 155 P C 0.347 177.501 177.300 -0.244 0.000 1.146 155 P CA 1.215 64.127 63.100 -0.314 0.000 0.808 155 P CB -0.193 31.200 31.700 -0.513 0.000 0.779 156 Y N 0.021 120.327 120.300 0.010 0.000 2.470 156 Y HA 0.511 5.206 4.550 0.241 0.000 0.284 156 Y C 1.467 177.353 175.900 -0.024 0.000 1.188 156 Y CA -0.138 57.962 58.100 -0.001 0.000 1.269 156 Y CB -0.241 38.221 38.460 0.003 0.000 1.094 156 Y HN -0.035 nan 8.280 nan 0.000 0.518 157 G N 0.204 109.041 108.800 0.062 0.000 2.277 157 G HA2 -0.022 4.082 3.960 0.241 0.000 0.272 157 G HA3 -0.022 4.082 3.960 0.241 0.000 0.272 157 G C -1.643 173.246 174.900 -0.019 0.000 1.692 157 G CA -1.336 43.775 45.100 0.018 0.000 0.926 157 G HN -0.023 nan 8.290 nan 0.000 0.720 158 N N 0.430 119.115 118.700 -0.026 0.000 2.426 158 N HA 0.592 5.476 4.740 0.241 0.000 0.257 158 N C 0.574 176.047 175.510 -0.063 0.000 1.002 158 N CA -0.178 52.849 53.050 -0.039 0.000 0.942 158 N CB 1.934 40.407 38.487 -0.023 0.000 1.112 158 N HN 1.068 nan 8.380 nan 0.000 0.499 159 V N -0.863 118.978 119.914 -0.121 0.000 3.166 159 V HA 0.614 4.879 4.120 0.241 0.000 0.317 159 V C 0.225 176.228 176.094 -0.152 0.000 1.136 159 V CA -0.908 61.279 62.300 -0.188 0.000 1.035 159 V CB 2.059 33.613 31.823 -0.447 0.000 1.110 159 V HN 0.300 nan 8.190 nan 0.000 0.450 160 E N 0.425 120.577 120.200 -0.080 0.000 2.283 160 E HA 0.370 4.864 4.350 0.241 0.000 0.267 160 E C -0.359 176.335 176.600 0.156 0.000 1.045 160 E CA -0.481 55.943 56.400 0.039 0.000 0.884 160 E CB 1.181 30.924 29.700 0.072 0.000 1.106 160 E HN 0.792 nan 8.360 nan 0.000 0.408 161 E N 0.959 121.282 120.200 0.205 0.000 2.452 161 E HA -0.084 4.411 4.350 0.241 0.000 0.261 161 E C -0.356 176.463 176.600 0.365 0.000 0.987 161 E CA 0.047 56.665 56.400 0.363 0.000 0.926 161 E CB 0.497 30.378 29.700 0.301 0.000 0.934 161 E HN 0.319 nan 8.360 nan 0.000 0.452 162 W N 3.278 124.708 121.300 0.217 0.000 2.231 162 W HA -0.036 4.769 4.660 0.241 0.000 0.341 162 W C 0.021 176.366 176.519 -0.291 0.000 1.298 162 W CA 0.163 57.420 57.345 -0.147 0.000 1.266 162 W CB 0.653 29.889 29.460 -0.372 0.000 1.172 162 W HN 0.229 nan 8.180 nan 0.000 0.568 163 S N 7.108 122.252 115.700 -0.927 0.000 2.498 163 S HA 0.204 4.819 4.470 0.241 0.000 0.324 163 S C 0.717 174.444 174.600 -1.456 0.000 1.071 163 S CA -0.791 56.858 58.200 -0.919 0.000 1.113 163 S CB 0.626 63.545 63.200 -0.470 0.000 0.976 163 S HN 0.686 nan 8.310 nan 0.000 0.462 164 I N 4.168 123.887 120.570 -1.418 0.000 2.423 164 I HA -0.149 4.166 4.170 0.241 0.000 0.254 164 I C 1.707 177.504 176.117 -0.533 0.000 1.151 164 I CA 1.583 62.231 61.300 -1.086 0.000 1.421 164 I CB 0.190 37.891 38.000 -0.499 0.000 1.079 164 I HN 0.700 nan 8.210 nan 0.000 0.431 165 E N 0.704 120.651 120.200 -0.422 0.000 2.046 165 E HA -0.139 4.356 4.350 0.241 0.000 0.190 165 E C 2.067 178.533 176.600 -0.223 0.000 0.982 165 E CA 1.412 57.663 56.400 -0.249 0.000 0.800 165 E CB -0.214 29.371 29.700 -0.192 0.000 0.756 165 E HN 0.475 nan 8.360 nan 0.000 0.449 166 I N 0.916 121.325 120.570 -0.269 0.000 2.226 166 I HA -0.286 4.028 4.170 0.241 0.000 0.245 166 I C 2.313 178.322 176.117 -0.181 0.000 1.100 166 I CA 1.076 62.253 61.300 -0.205 0.000 1.374 166 I CB -0.336 37.540 38.000 -0.206 0.000 1.057 166 I HN 0.095 nan 8.210 nan 0.000 0.413 167 A N 0.781 123.436 122.820 -0.274 0.000 1.908 167 A HA -0.204 4.261 4.320 0.241 0.000 0.218 167 A C 2.535 180.099 177.584 -0.034 0.000 1.181 167 A CA 1.991 53.968 52.037 -0.100 0.000 0.627 167 A CB -0.866 18.122 19.000 -0.021 0.000 0.818 167 A HN 0.442 nan 8.150 nan 0.000 0.445 168 A N -0.500 122.269 122.820 -0.085 0.000 1.969 168 A HA -0.013 4.451 4.320 0.241 0.000 0.218 168 A C 1.369 178.931 177.584 -0.037 0.000 1.169 168 A CA 0.874 52.881 52.037 -0.050 0.000 0.635 168 A CB -0.260 18.698 19.000 -0.069 0.000 0.810 168 A HN 0.509 nan 8.150 nan 0.000 0.445 169 K N 0.158 120.528 120.400 -0.051 0.000 2.380 169 K HA 0.289 4.754 4.320 0.241 0.000 0.267 169 K C -0.396 176.197 176.600 -0.011 0.000 0.990 169 K CA -0.167 56.099 56.287 -0.035 0.000 0.946 169 K CB 0.353 32.825 32.500 -0.045 0.000 0.937 169 K HN 0.347 nan 8.250 nan 0.000 0.491 170 L N 2.745 123.964 121.223 -0.006 0.000 2.452 170 L HA -0.021 4.463 4.340 0.241 0.000 0.267 170 L C 1.922 178.801 176.870 0.015 0.000 1.188 170 L CA -0.079 54.766 54.840 0.007 0.000 0.821 170 L CB 0.296 42.355 42.059 0.001 0.000 1.102 170 L HN 0.638 nan 8.230 nan 0.000 0.470 171 Q N 1.101 120.920 119.800 0.032 0.000 2.181 171 Q HA -0.207 4.278 4.340 0.241 0.000 0.205 171 Q C 1.560 177.574 176.000 0.024 0.000 0.980 171 Q CA 1.565 57.393 55.803 0.041 0.000 0.862 171 Q CB -0.034 28.745 28.738 0.068 0.000 0.905 171 Q HN 0.657 nan 8.270 nan 0.000 0.429 172 E N 0.712 120.921 120.200 0.014 0.000 2.267 172 E HA -0.209 4.286 4.350 0.241 0.000 0.197 172 E C 1.449 178.050 176.600 0.002 0.000 0.998 172 E CA 0.950 57.354 56.400 0.007 0.000 0.830 172 E CB 0.045 29.746 29.700 0.001 0.000 0.751 172 E HN 0.428 nan 8.360 nan 0.000 0.491 173 Q N -1.312 118.487 119.800 -0.000 0.000 2.282 173 Q HA 0.165 4.649 4.340 0.241 0.000 0.206 173 Q C 0.837 176.830 176.000 -0.010 0.000 0.878 173 Q CA 0.349 56.147 55.803 -0.008 0.000 0.944 173 Q CB 1.432 30.162 28.738 -0.013 0.000 1.100 173 Q HN 0.330 nan 8.270 nan 0.000 0.509 174 G N 0.197 108.994 108.800 -0.004 0.000 2.141 174 G HA2 -0.202 3.903 3.960 0.241 0.000 0.231 174 G HA3 -0.202 3.903 3.960 0.241 0.000 0.231 174 G C 0.306 175.197 174.900 -0.015 0.000 0.984 174 G CA -0.316 44.780 45.100 -0.007 0.000 0.660 174 G HN 0.500 nan 8.290 nan 0.000 0.525 175 G N -1.013 107.780 108.800 -0.011 0.000 2.583 175 G HA2 0.543 4.648 3.960 0.241 0.000 0.280 175 G HA3 0.543 4.648 3.960 0.241 0.000 0.280 175 G C 0.264 175.174 174.900 0.016 0.000 1.376 175 G CA 0.498 45.587 45.100 -0.019 0.000 1.043 175 G HN 0.044 nan 8.290 nan 0.000 0.538 176 D N -1.325 119.096 120.400 0.036 0.000 2.449 176 D HA 0.070 4.854 4.640 0.241 0.000 0.210 176 D C 0.608 177.008 176.300 0.167 0.000 1.094 176 D CA 0.145 54.215 54.000 0.116 0.000 0.846 176 D CB 0.763 41.633 40.800 0.117 0.000 1.003 176 D HN 0.654 nan 8.370 nan 0.000 0.504 177 E N 0.637 120.892 120.200 0.090 0.000 2.416 177 E HA -0.168 4.327 4.350 0.241 0.000 0.249 177 E C -0.845 175.799 176.600 0.073 0.000 1.124 177 E CA -0.228 56.213 56.400 0.068 0.000 0.732 177 E CB -1.149 28.589 29.700 0.064 0.000 1.286 177 E HN -0.053 nan 8.360 nan 0.000 0.394 178 V N 1.783 121.744 119.914 0.079 0.000 2.493 178 V HA 0.082 4.346 4.120 0.241 0.000 0.292 178 V C -1.619 174.484 176.094 0.014 0.000 1.016 178 V CA -0.304 62.029 62.300 0.056 0.000 1.097 178 V CB 0.399 32.270 31.823 0.080 0.000 0.947 178 V HN 0.269 nan 8.190 nan 0.000 0.479 179 P HA -0.032 nan 4.420 nan 0.000 0.263 179 P C 0.941 178.218 177.300 -0.039 0.000 1.175 179 P CA 0.509 63.622 63.100 0.021 0.000 0.761 179 P CB 0.553 32.333 31.700 0.134 0.000 0.794 180 S N 2.606 118.297 115.700 -0.014 0.000 2.399 180 S HA -0.155 4.459 4.470 0.241 0.000 0.231 180 S C 1.491 176.074 174.600 -0.028 0.000 1.022 180 S CA 1.256 59.445 58.200 -0.019 0.000 0.983 180 S CB -0.526 62.669 63.200 -0.007 0.000 0.803 180 S HN 0.611 nan 8.310 nan 0.000 0.480 181 E N 1.558 121.742 120.200 -0.027 0.000 2.478 181 E HA -0.077 4.417 4.350 0.241 0.000 0.198 181 E C 1.644 178.206 176.600 -0.064 0.000 1.046 181 E CA 0.746 57.135 56.400 -0.018 0.000 0.870 181 E CB -0.465 29.252 29.700 0.028 0.000 0.818 181 E HN 0.875 nan 8.360 nan 0.000 0.527 182 I N -3.220 117.250 120.570 -0.166 0.000 4.139 182 I HA 0.122 4.436 4.170 0.241 0.000 0.335 182 I C 1.705 177.778 176.117 -0.075 0.000 1.327 182 I CA -0.451 60.748 61.300 -0.169 0.000 1.112 182 I CB 0.019 37.693 38.000 -0.543 0.000 1.058 182 I HN -0.238 nan 8.210 nan 0.000 0.396 183 I N 2.735 123.271 120.570 -0.056 0.000 2.151 183 I HA -0.269 4.046 4.170 0.241 0.000 0.243 183 I C 1.576 177.718 176.117 0.041 0.000 1.080 183 I CA 1.794 63.095 61.300 0.001 0.000 1.339 183 I CB -1.034 36.963 38.000 -0.006 0.000 1.039 183 I HN 0.371 nan 8.210 nan 0.000 0.409 184 D N 0.556 120.978 120.400 0.037 0.000 2.352 184 D HA -0.052 4.733 4.640 0.241 0.000 0.232 184 D C 1.527 177.869 176.300 0.070 0.000 1.055 184 D CA 0.518 54.547 54.000 0.048 0.000 0.891 184 D CB 0.061 40.883 40.800 0.036 0.000 0.897 184 D HN 0.418 nan 8.370 nan 0.000 0.529 185 K N -0.044 120.422 120.400 0.110 0.000 2.387 185 K HA 0.256 4.720 4.320 0.241 0.000 0.203 185 K C 0.393 177.114 176.600 0.203 0.000 1.030 185 K CA -0.089 56.298 56.287 0.167 0.000 1.099 185 K CB 1.391 34.058 32.500 0.279 0.000 0.863 185 K HN 0.041 nan 8.250 nan 0.000 0.529 186 I N 2.550 123.213 120.570 0.155 0.000 2.315 186 I HA 0.160 4.475 4.170 0.241 0.000 0.291 186 I C -0.320 175.840 176.117 0.071 0.000 1.006 186 I CA -0.680 60.704 61.300 0.141 0.000 1.265 186 I CB 0.977 39.067 38.000 0.149 0.000 1.387 186 I HN -0.129 nan 8.210 nan 0.000 0.475 187 I N 7.595 128.137 120.570 -0.047 0.000 2.306 187 I HA 0.152 4.467 4.170 0.241 0.000 0.288 187 I C -0.442 175.680 176.117 0.009 0.000 1.036 187 I CA -0.576 60.686 61.300 -0.064 0.000 1.221 187 I CB 0.451 38.300 38.000 -0.251 0.000 1.385 187 I HN 0.435 nan 8.210 nan 0.000 0.472 188 Y N 8.135 128.420 120.300 -0.025 0.000 2.326 188 Y HA 0.610 5.305 4.550 0.241 0.000 0.337 188 Y C -0.659 175.206 175.900 -0.059 0.000 1.023 188 Y CA -0.892 57.199 58.100 -0.015 0.000 1.143 188 Y CB 1.365 39.937 38.460 0.186 0.000 1.183 188 Y HN 0.496 nan 8.280 nan 0.000 0.485 189 M N 9.947 129.110 119.600 -0.728 0.000 2.090 189 M HA 0.369 4.994 4.480 0.241 0.000 0.277 189 M C -2.747 173.078 176.300 -0.791 0.000 0.935 189 M CA -1.686 53.191 55.300 -0.704 0.000 0.966 189 M CB 2.112 34.406 32.600 -0.511 0.000 1.635 189 M HN 0.417 nan 8.290 nan 0.000 0.446 190 P HA 0.680 nan 4.420 nan 0.000 0.285 190 P C -1.347 175.587 177.300 -0.609 0.000 1.280 190 P CA -0.527 62.297 63.100 -0.460 0.000 0.862 190 P CB 1.100 32.654 31.700 -0.243 0.000 1.153 191 F N -0.721 119.240 119.950 0.017 0.000 2.591 191 F HA 0.254 4.926 4.527 0.241 0.000 0.309 191 F C 1.012 176.839 175.800 0.045 0.000 1.098 191 F CA -0.370 57.657 58.000 0.045 0.000 0.937 191 F CB 1.555 40.605 39.000 0.084 0.000 1.250 191 F HN 0.131 nan 8.300 nan 0.000 0.447 192 D N 0.893 121.417 120.400 0.206 0.000 2.219 192 D HA -0.042 4.743 4.640 0.241 0.000 0.205 192 D C -0.151 176.225 176.300 0.126 0.000 0.970 192 D CA 1.442 55.519 54.000 0.128 0.000 0.851 192 D CB -0.061 40.795 40.800 0.094 0.000 0.943 192 D HN 0.646 nan 8.370 nan 0.000 0.488 193 N N -1.844 116.958 118.700 0.170 0.000 2.484 193 N HA 0.110 4.994 4.740 0.241 0.000 0.269 193 N C 0.022 175.584 175.510 0.086 0.000 1.237 193 N CA -0.732 52.379 53.050 0.102 0.000 0.838 193 N CB 1.540 40.069 38.487 0.069 0.000 1.593 193 N HN -0.311 nan 8.380 nan 0.000 0.485 194 E N 0.384 120.604 120.200 0.034 0.000 2.153 194 E HA -0.180 4.314 4.350 0.241 0.000 0.194 194 E C 0.769 177.367 176.600 -0.003 0.000 0.988 194 E CA 1.203 57.605 56.400 0.004 0.000 0.811 194 E CB 0.122 29.818 29.700 -0.007 0.000 0.746 194 E HN 0.560 nan 8.360 nan 0.000 0.466 195 K N 0.197 120.604 120.400 0.013 0.000 2.057 195 K HA -0.161 4.304 4.320 0.241 0.000 0.206 195 K C 2.061 178.771 176.600 0.184 0.000 1.050 195 K CA 1.245 57.587 56.287 0.092 0.000 0.935 195 K CB -0.009 32.502 32.500 0.018 0.000 0.715 195 K HN -0.035 nan 8.250 nan 0.000 0.439 196 E N 0.995 121.261 120.200 0.110 0.000 2.274 196 E HA -0.074 4.420 4.350 0.241 0.000 0.194 196 E C 1.734 178.274 176.600 -0.099 0.000 0.996 196 E CA 0.249 56.724 56.400 0.124 0.000 0.840 196 E CB 0.101 29.943 29.700 0.238 0.000 0.772 196 E HN 0.178 nan 8.360 nan 0.000 0.491 197 L N -0.152 120.808 121.223 -0.437 0.000 2.027 197 L HA -0.139 4.345 4.340 0.241 0.000 0.206 197 L C 1.846 178.451 176.870 -0.442 0.000 1.074 197 L CA 1.103 55.285 54.840 -1.097 0.000 0.745 197 L CB -0.058 41.510 42.059 -0.820 0.000 0.898 197 L HN 0.191 nan 8.230 nan 0.000 0.433 198 L N -0.819 120.311 121.223 -0.155 0.000 2.056 198 L HA -0.233 4.252 4.340 0.241 0.000 0.207 198 L C 2.648 179.478 176.870 -0.067 0.000 1.078 198 L CA 1.434 56.260 54.840 -0.025 0.000 0.749 198 L CB -0.465 41.707 42.059 0.189 0.000 0.901 198 L HN 0.318 nan 8.230 nan 0.000 0.433 199 M N -0.673 118.886 119.600 -0.068 0.000 2.086 199 M HA -0.222 4.402 4.480 0.241 0.000 0.261 199 M C 2.315 178.589 176.300 -0.044 0.000 1.067 199 M CA 1.664 56.878 55.300 -0.142 0.000 1.116 199 M CB -0.427 32.133 32.600 -0.067 0.000 1.348 199 M HN 0.124 nan 8.290 nan 0.000 0.407 200 E N 0.268 120.493 120.200 0.042 0.000 2.077 200 E HA -0.223 4.272 4.350 0.241 0.000 0.193 200 E C 1.730 178.435 176.600 0.175 0.000 0.989 200 E CA 1.529 58.037 56.400 0.180 0.000 0.800 200 E CB -0.476 29.461 29.700 0.396 0.000 0.746 200 E HN 0.507 nan 8.360 nan 0.000 0.452 201 Y N 0.096 120.307 120.300 -0.148 0.000 2.403 201 Y HA -0.041 4.653 4.550 0.241 0.000 0.291 201 Y C 1.714 177.565 175.900 -0.083 0.000 1.143 201 Y CA 1.145 59.042 58.100 -0.338 0.000 1.257 201 Y CB 0.075 38.111 38.460 -0.707 0.000 0.984 201 Y HN 0.082 nan 8.280 nan 0.000 0.550 202 L N -0.697 120.448 121.223 -0.130 0.000 2.162 202 L HA -0.151 4.334 4.340 0.241 0.000 0.205 202 L C 2.215 179.035 176.870 -0.083 0.000 1.086 202 L CA 0.896 55.624 54.840 -0.187 0.000 0.778 202 L CB -0.480 41.440 42.059 -0.232 0.000 0.928 202 L HN 0.249 nan 8.230 nan 0.000 0.446 203 N N 0.218 118.903 118.700 -0.025 0.000 2.013 203 N HA -0.267 4.618 4.740 0.241 0.000 0.195 203 N C 1.924 177.448 175.510 0.023 0.000 1.051 203 N CA 1.888 54.946 53.050 0.013 0.000 0.851 203 N CB -0.284 38.236 38.487 0.055 0.000 1.044 203 N HN 0.197 nan 8.380 nan 0.000 0.422 204 F N 1.488 121.383 119.950 -0.092 0.000 2.147 204 F HA -0.246 4.426 4.527 0.241 0.000 0.301 204 F C 2.308 177.961 175.800 -0.246 0.000 1.084 204 F CA 1.404 59.305 58.000 -0.165 0.000 1.268 204 F CB -0.452 38.470 39.000 -0.130 0.000 1.009 204 F HN 0.273 nan 8.300 nan 0.000 0.486 205 W N 1.871 122.752 121.300 -0.699 0.000 2.363 205 W HA -0.245 4.559 4.660 0.241 0.000 0.296 205 W C 2.361 178.579 176.519 -0.503 0.000 1.212 205 W CA 2.050 58.934 57.345 -0.768 0.000 1.260 205 W CB -0.774 28.320 29.460 -0.609 0.000 1.131 205 W HN 0.362 nan 8.180 nan 0.000 0.530 206 Q N 0.040 119.791 119.800 -0.081 0.000 2.172 206 Q HA -0.203 4.282 4.340 0.241 0.000 0.200 206 Q C 2.224 178.112 176.000 -0.186 0.000 0.964 206 Q CA 1.492 57.244 55.803 -0.085 0.000 0.855 206 Q CB -0.297 28.424 28.738 -0.028 0.000 0.918 206 Q HN 0.114 nan 8.270 nan 0.000 0.444 207 Q N 0.387 120.048 119.800 -0.232 0.000 2.172 207 Q HA -0.025 4.460 4.340 0.241 0.000 0.200 207 Q C 0.147 175.949 176.000 -0.330 0.000 0.964 207 Q CA 1.129 56.797 55.803 -0.226 0.000 0.855 207 Q CB 0.406 29.047 28.738 -0.161 0.000 0.918 207 Q HN 0.287 nan 8.270 nan 0.000 0.444 208 K N 0.853 120.914 120.400 -0.565 0.000 2.954 208 K HA 0.267 4.731 4.320 0.241 0.000 0.171 208 K C -0.995 175.166 176.600 -0.732 0.000 1.079 208 K CA -0.094 55.825 56.287 -0.614 0.000 0.908 208 K CB 1.278 33.319 32.500 -0.766 0.000 1.142 208 K HN -0.178 nan 8.250 nan 0.000 0.613 209 T N 3.404 117.613 114.554 -0.576 0.000 2.779 209 T HA 0.141 4.636 4.350 0.241 0.000 0.296 209 T C -2.325 172.041 174.700 -0.558 0.000 0.938 209 T CA -1.230 60.457 62.100 -0.688 0.000 1.119 209 T CB 0.355 68.975 68.868 -0.413 0.000 0.891 209 T HN 0.096 nan 8.240 nan 0.000 0.526 210 P HA 0.116 nan 4.420 nan 0.000 0.268 210 P C 0.546 177.719 177.300 -0.212 0.000 1.204 210 P CA -0.171 62.687 63.100 -0.403 0.000 0.768 210 P CB 0.682 32.103 31.700 -0.464 0.000 0.842 211 V N 3.690 123.546 119.914 -0.096 0.000 2.403 211 V HA 0.018 4.283 4.120 0.241 0.000 0.239 211 V C 1.069 177.177 176.094 0.023 0.000 1.041 211 V CA 1.261 63.553 62.300 -0.014 0.000 1.051 211 V CB -0.178 31.662 31.823 0.029 0.000 0.704 211 V HN 0.424 nan 8.190 nan 0.000 0.472 212 I N 2.189 122.784 120.570 0.042 0.000 2.307 212 I HA 0.370 4.684 4.170 0.241 0.000 0.289 212 I C -0.687 175.493 176.117 0.105 0.000 1.021 212 I CA -0.280 61.070 61.300 0.084 0.000 1.224 212 I CB 1.108 39.171 38.000 0.105 0.000 1.376 212 I HN 0.110 nan 8.210 nan 0.000 0.470 213 L N 7.013 128.319 121.223 0.139 0.000 2.313 213 L HA 0.672 5.156 4.340 0.241 0.000 0.283 213 L C -0.060 176.979 176.870 0.281 0.000 1.013 213 L CA 0.497 55.461 54.840 0.208 0.000 0.816 213 L CB 1.716 43.917 42.059 0.238 0.000 1.236 213 L HN 0.707 nan 8.230 nan 0.000 0.419 214 T N 2.538 117.294 114.554 0.337 0.000 2.681 214 T HA 0.948 5.442 4.350 0.241 0.000 0.296 214 T C -0.536 174.381 174.700 0.361 0.000 1.157 214 T CA -0.034 62.278 62.100 0.354 0.000 1.025 214 T CB 1.317 70.424 68.868 0.398 0.000 1.441 214 T HN 1.184 nan 8.240 nan 0.000 0.504 215 G N -0.149 108.868 108.800 0.362 0.000 2.340 215 G HA2 0.155 4.260 3.960 0.241 0.000 0.282 215 G HA3 0.155 4.260 3.960 0.241 0.000 0.282 215 G C -2.010 173.115 174.900 0.376 0.000 1.312 215 G CA -0.467 44.821 45.100 0.314 0.000 0.942 215 G HN 0.735 nan 8.290 nan 0.000 0.495 216 W N 2.030 123.386 121.300 0.093 0.000 2.329 216 W HA 0.482 5.286 4.660 0.241 0.000 0.312 216 W C 0.594 177.157 176.519 0.073 0.000 1.054 216 W CA -0.123 57.279 57.345 0.096 0.000 1.245 216 W CB 0.639 30.135 29.460 0.059 0.000 1.255 216 W HN 0.736 nan 8.180 nan 0.000 0.436 217 N N 3.223 121.765 118.700 -0.264 0.000 2.735 217 N HA -0.234 4.650 4.740 0.241 0.000 0.248 217 N C 0.942 176.471 175.510 0.030 0.000 1.083 217 N CA 1.372 54.339 53.050 -0.137 0.000 0.703 217 N CB -1.173 37.280 38.487 -0.057 0.000 1.005 217 N HN 0.435 nan 8.380 nan 0.000 0.550 218 V N -2.675 117.252 119.914 0.021 0.000 2.548 218 V HA -0.087 4.178 4.120 0.241 0.000 0.249 218 V C 2.015 178.155 176.094 0.077 0.000 1.055 218 V CA 2.141 64.455 62.300 0.025 0.000 1.065 218 V CB -0.245 31.595 31.823 0.029 0.000 0.681 218 V HN 0.310 nan 8.190 nan 0.000 0.462 219 E N 0.750 120.979 120.200 0.049 0.000 2.107 219 E HA -0.116 4.379 4.350 0.241 0.000 0.191 219 E C 2.247 178.872 176.600 0.041 0.000 0.982 219 E CA 1.242 57.663 56.400 0.036 0.000 0.809 219 E CB -0.027 29.657 29.700 -0.027 0.000 0.756 219 E HN 0.619 nan 8.360 nan 0.000 0.459 220 S N -1.118 114.611 115.700 0.048 0.000 2.458 220 S HA 0.068 4.683 4.470 0.241 0.000 0.223 220 S C 0.922 175.670 174.600 0.247 0.000 1.019 220 S CA 0.414 58.672 58.200 0.098 0.000 0.937 220 S CB 0.096 63.322 63.200 0.043 0.000 0.788 220 S HN 0.374 nan 8.310 nan 0.000 0.511 221 F N 0.496 120.501 119.950 0.090 0.000 2.268 221 F HA 0.436 5.108 4.527 0.241 0.000 0.262 221 F C 2.032 177.918 175.800 0.144 0.000 0.910 221 F CA 0.598 58.687 58.000 0.148 0.000 1.142 221 F CB -0.625 38.470 39.000 0.159 0.000 1.229 221 F HN 0.049 nan 8.300 nan 0.000 0.781 222 A N 1.425 124.196 122.820 -0.081 0.000 1.858 222 A HA -0.113 4.352 4.320 0.241 0.000 0.216 222 A C 2.081 179.679 177.584 0.023 0.000 1.190 222 A CA 2.212 54.124 52.037 -0.208 0.000 0.617 222 A CB -1.320 17.485 19.000 -0.324 0.000 0.827 222 A HN 0.516 nan 8.150 nan 0.000 0.443 223 I N -0.064 120.598 120.570 0.153 0.000 2.179 223 I HA -0.151 4.163 4.170 0.241 0.000 0.242 223 I C -0.632 175.567 176.117 0.136 0.000 1.088 223 I CA 1.350 62.796 61.300 0.244 0.000 1.357 223 I CB -1.079 37.067 38.000 0.243 0.000 1.051 223 I HN 0.224 nan 8.210 nan 0.000 0.409 224 P HA -0.173 nan 4.420 nan 0.000 0.219 224 P C 1.474 178.798 177.300 0.041 0.000 1.150 224 P CA 1.378 64.523 63.100 0.076 0.000 0.814 224 P CB -0.075 31.662 31.700 0.062 0.000 0.787 225 Y N 0.187 120.389 120.300 -0.162 0.000 2.133 225 Y HA -0.177 4.517 4.550 0.241 0.000 0.287 225 Y C 2.258 178.091 175.900 -0.112 0.000 1.134 225 Y CA 1.293 59.255 58.100 -0.231 0.000 1.133 225 Y CB -0.914 37.198 38.460 -0.579 0.000 0.987 225 Y HN -0.314 nan 8.280 nan 0.000 0.502 226 V N -0.481 119.509 119.914 0.126 0.000 2.332 226 V HA -0.345 3.919 4.120 0.241 0.000 0.248 226 V C 1.997 178.111 176.094 0.035 0.000 1.055 226 V CA 2.264 64.623 62.300 0.098 0.000 1.038 226 V CB -1.095 30.811 31.823 0.138 0.000 0.651 226 V HN 0.550 nan 8.190 nan 0.000 0.450 227 Y N 1.547 121.806 120.300 -0.069 0.000 2.089 227 Y HA -0.233 4.462 4.550 0.241 0.000 0.282 227 Y C 2.613 178.448 175.900 -0.107 0.000 1.139 227 Y CA 2.164 60.209 58.100 -0.091 0.000 1.123 227 Y CB -0.411 38.008 38.460 -0.069 0.000 0.980 227 Y HN 0.232 nan 8.280 nan 0.000 0.493 228 N N 0.100 118.723 118.700 -0.128 0.000 2.244 228 N HA -0.163 4.722 4.740 0.241 0.000 0.183 228 N C 1.974 177.293 175.510 -0.317 0.000 1.016 228 N CA 1.201 54.096 53.050 -0.258 0.000 0.866 228 N CB -0.304 38.059 38.487 -0.206 0.000 0.980 228 N HN 0.262 nan 8.380 nan 0.000 0.430 229 R N 1.440 121.743 120.500 -0.328 0.000 2.066 229 R HA 0.124 4.609 4.340 0.241 0.000 0.232 229 R C 2.119 178.336 176.300 -0.140 0.000 1.131 229 R CA 0.878 56.829 56.100 -0.250 0.000 0.955 229 R CB -0.609 29.601 30.300 -0.150 0.000 0.851 229 R HN 0.179 nan 8.270 nan 0.000 0.432 230 I N 0.512 121.028 120.570 -0.089 0.000 2.454 230 I HA -0.251 4.064 4.170 0.241 0.000 0.254 230 I C 2.326 178.409 176.117 -0.057 0.000 1.156 230 I CA 1.305 62.628 61.300 0.039 0.000 1.433 230 I CB -0.247 37.753 38.000 -0.001 0.000 1.082 230 I HN 0.222 nan 8.210 nan 0.000 0.432 231 K N 0.946 121.194 120.400 -0.253 0.000 2.103 231 K HA -0.123 4.342 4.320 0.241 0.000 0.204 231 K C 1.779 178.269 176.600 -0.183 0.000 1.052 231 K CA 1.222 57.341 56.287 -0.280 0.000 0.945 231 K CB 0.098 32.338 32.500 -0.433 0.000 0.722 231 K HN 0.264 nan 8.250 nan 0.000 0.443 232 N N 0.370 118.957 118.700 -0.187 0.000 2.409 232 N HA -0.034 4.850 4.740 0.241 0.000 0.179 232 N C 1.582 176.984 175.510 -0.180 0.000 1.032 232 N CA 0.906 53.855 53.050 -0.168 0.000 0.898 232 N CB 0.206 38.588 38.487 -0.175 0.000 0.971 232 N HN 0.291 nan 8.380 nan 0.000 0.441 233 I N -1.301 119.137 120.570 -0.219 0.000 2.947 233 I HA 0.026 4.341 4.170 0.241 0.000 0.263 233 I C 0.915 176.747 176.117 -0.476 0.000 1.130 233 I CA 0.552 61.621 61.300 -0.385 0.000 1.448 233 I CB 0.080 37.762 38.000 -0.531 0.000 1.222 233 I HN -0.129 nan 8.210 nan 0.000 0.453 234 F N 0.846 120.731 119.950 -0.109 0.000 2.656 234 F HA 0.428 5.100 4.527 0.241 0.000 0.291 234 F C 1.304 177.043 175.800 -0.102 0.000 1.122 234 F CA 0.509 58.452 58.000 -0.096 0.000 1.427 234 F CB -0.046 38.896 39.000 -0.097 0.000 1.125 234 F HN 0.122 nan 8.300 nan 0.000 0.583 235 G N 0.475 109.293 108.800 0.030 0.000 2.566 235 G HA2 -0.144 3.960 3.960 0.241 0.000 0.599 235 G HA3 -0.144 3.960 3.960 0.241 0.000 0.599 235 G C -0.507 174.350 174.900 -0.072 0.000 1.292 235 G CA -0.939 44.140 45.100 -0.035 0.000 0.922 235 G HN 0.127 nan 8.290 nan 0.000 0.514 236 E N -0.749 119.399 120.200 -0.086 0.000 2.766 236 E HA 0.406 4.900 4.350 0.241 0.000 0.261 236 E C 1.553 178.116 176.600 -0.062 0.000 1.427 236 E CA 1.057 57.400 56.400 -0.096 0.000 1.085 236 E CB 0.398 30.063 29.700 -0.058 0.000 1.074 236 E HN 1.720 nan 8.360 nan 0.000 0.651 237 S N -1.533 114.140 115.700 -0.045 0.000 1.728 237 S HA -0.333 4.282 4.470 0.241 0.000 0.226 237 S C 1.609 176.175 174.600 -0.058 0.000 0.868 237 S CA 2.576 60.754 58.200 -0.038 0.000 1.531 237 S CB -2.228 60.953 63.200 -0.031 0.000 2.005 237 S HN 0.741 nan 8.310 nan 0.000 0.534 238 T N 1.034 115.542 114.554 -0.076 0.000 2.788 238 T HA 0.277 4.772 4.350 0.241 0.000 0.268 238 T C 1.988 176.594 174.700 -0.156 0.000 1.044 238 T CA 2.191 64.214 62.100 -0.129 0.000 1.139 238 T CB -1.032 67.745 68.868 -0.151 0.000 0.867 238 T HN 1.150 nan 8.240 nan 0.000 0.454 239 A N 2.032 124.763 122.820 -0.148 0.000 1.969 239 A HA -0.001 4.464 4.320 0.241 0.000 0.218 239 A C 2.291 179.858 177.584 -0.028 0.000 1.169 239 A CA 1.206 53.123 52.037 -0.199 0.000 0.635 239 A CB -0.524 18.180 19.000 -0.493 0.000 0.810 239 A HN 0.507 nan 8.150 nan 0.000 0.445 240 K N -0.572 119.838 120.400 0.018 0.000 2.504 240 K HA 0.012 4.476 4.320 0.241 0.000 0.195 240 K C 1.784 178.384 176.600 -0.001 0.000 1.036 240 K CA 0.360 56.688 56.287 0.069 0.000 0.984 240 K CB -0.063 32.459 32.500 0.037 0.000 0.788 240 K HN 0.385 nan 8.250 nan 0.000 0.488 241 R N 0.426 120.890 120.500 -0.061 0.000 2.237 241 R HA -0.021 4.463 4.340 0.241 0.000 0.219 241 R C 1.770 178.005 176.300 -0.108 0.000 1.080 241 R CA 0.605 56.657 56.100 -0.080 0.000 0.995 241 R CB -0.138 30.088 30.300 -0.124 0.000 0.875 241 R HN 0.175 nan 8.270 nan 0.000 0.462 242 L N 0.048 121.154 121.223 -0.195 0.000 2.191 242 L HA -0.070 4.414 4.340 0.241 0.000 0.212 242 L C 1.208 178.141 176.870 0.105 0.000 1.103 242 L CA 0.513 55.135 54.840 -0.363 0.000 0.769 242 L CB -0.190 41.650 42.059 -0.366 0.000 0.908 242 L HN 0.030 nan 8.230 nan 0.000 0.438 243 S N -0.106 115.640 115.700 0.078 0.000 2.499 243 S HA 0.240 4.854 4.470 0.241 0.000 0.279 243 S C -1.367 173.248 174.600 0.025 0.000 1.219 243 S CA -1.637 56.615 58.200 0.087 0.000 1.062 243 S CB 1.137 64.376 63.200 0.064 0.000 0.978 243 S HN -0.071 nan 8.310 nan 0.000 0.489 244 P HA -0.093 nan 4.420 nan 0.000 0.222 244 P C 0.294 177.496 177.300 -0.164 0.000 1.147 244 P CA 1.232 64.219 63.100 -0.187 0.000 0.790 244 P CB -0.092 31.389 31.700 -0.365 0.000 0.780 245 H N -1.364 117.751 119.070 0.075 0.000 2.594 245 H HA 0.315 5.016 4.556 0.241 0.000 0.279 245 H C 0.454 175.730 175.328 -0.086 0.000 1.042 245 H CA -0.346 55.696 56.048 -0.010 0.000 1.177 245 H CB 0.001 29.653 29.762 -0.184 0.000 1.524 245 H HN 0.060 nan 8.280 nan 0.000 0.537 246 R N 0.617 121.132 120.500 0.024 0.000 3.416 246 R HA -0.188 4.297 4.340 0.241 0.000 0.263 246 R C -0.696 175.555 176.300 -0.081 0.000 1.053 246 R CA 0.534 56.625 56.100 -0.014 0.000 0.705 246 R CB -1.326 28.970 30.300 -0.006 0.000 1.124 246 R HN 0.110 nan 8.270 nan 0.000 0.444 247 K N 0.215 120.541 120.400 -0.124 0.000 2.507 247 K HA 0.319 4.784 4.320 0.241 0.000 0.252 247 K C -0.412 176.057 176.600 -0.217 0.000 0.943 247 K CA -0.364 55.734 56.287 -0.315 0.000 0.808 247 K CB 1.864 33.946 32.500 -0.696 0.000 1.142 247 K HN 0.191 nan 8.250 nan 0.000 0.426 248 T N -0.402 114.057 114.554 -0.159 0.000 2.924 248 T HA 0.626 5.121 4.350 0.241 0.000 0.291 248 T C -0.756 173.912 174.700 -0.053 0.000 1.045 248 T CA -1.066 61.003 62.100 -0.052 0.000 1.015 248 T CB 1.665 70.427 68.868 -0.176 0.000 1.103 248 T HN 0.477 nan 8.240 nan 0.000 0.496 249 R N 1.623 122.155 120.500 0.052 0.000 2.422 249 R HA 0.584 5.069 4.340 0.241 0.000 0.307 249 R C -1.443 174.833 176.300 -0.040 0.000 1.004 249 R CA -0.655 55.469 56.100 0.040 0.000 0.882 249 R CB 1.035 31.438 30.300 0.171 0.000 1.164 249 R HN 0.596 nan 8.270 nan 0.000 0.489 250 V N 5.331 125.205 119.914 -0.065 0.000 2.614 250 V HA 0.077 4.341 4.120 0.241 0.000 0.291 250 V C 0.949 177.028 176.094 -0.026 0.000 1.049 250 V CA -0.265 61.998 62.300 -0.062 0.000 1.038 250 V CB 1.178 32.996 31.823 -0.009 0.000 0.980 250 V HN 0.800 nan 8.190 nan 0.000 0.481 251 K N 3.403 123.786 120.400 -0.028 0.000 2.028 251 K HA 0.169 4.633 4.320 0.241 0.000 0.211 251 K C 1.089 177.683 176.600 -0.011 0.000 1.034 251 K CA 1.593 57.868 56.287 -0.020 0.000 0.999 251 K CB -0.267 32.215 32.500 -0.030 0.000 1.060 251 K HN 0.487 nan 8.250 nan 0.000 0.451 252 V N -1.376 118.533 119.914 -0.008 0.000 3.506 252 V HA 0.163 4.428 4.120 0.241 0.000 0.192 252 V C -0.963 175.127 176.094 -0.006 0.000 1.522 252 V CA -0.251 62.041 62.300 -0.012 0.000 1.124 252 V CB 0.018 31.836 31.823 -0.009 0.000 1.112 252 V HN 0.341 nan 8.190 nan 0.000 0.532 253 I N 3.493 124.064 120.570 0.002 0.000 2.974 253 I HA -0.169 4.146 4.170 0.241 0.000 0.185 253 I C -0.029 176.089 176.117 0.003 0.000 0.951 253 I CA 1.225 62.529 61.300 0.005 0.000 2.587 253 I CB -1.892 36.110 38.000 0.003 0.000 0.778 253 I HN 0.592 nan 8.210 nan 0.000 0.367 254 E N 6.405 126.608 120.200 0.005 0.000 1.924 254 E HA 0.189 4.684 4.350 0.241 0.000 0.261 254 E C 0.445 177.054 176.600 0.015 0.000 1.088 254 E CA -0.331 56.072 56.400 0.004 0.000 0.909 254 E CB 0.360 30.057 29.700 -0.005 0.000 1.112 254 E HN 0.632 nan 8.360 nan 0.000 0.425 255 N N 2.315 121.026 118.700 0.019 0.000 2.476 255 N HA 0.375 5.260 4.740 0.241 0.000 0.276 255 N C -0.193 175.348 175.510 0.052 0.000 1.204 255 N CA -0.779 52.292 53.050 0.035 0.000 0.974 255 N CB 0.979 39.480 38.487 0.023 0.000 1.204 255 N HN 0.086 nan 8.380 nan 0.000 0.543 256 M N 0.118 119.772 119.600 0.091 0.000 2.471 256 M HA 0.208 4.833 4.480 0.241 0.000 0.309 256 M C -0.991 175.413 176.300 0.173 0.000 1.186 256 M CA -0.440 54.962 55.300 0.170 0.000 1.008 256 M CB 0.462 33.242 32.600 0.300 0.000 1.551 256 M HN 0.721 nan 8.290 nan 0.000 0.477 257 Y N 0.383 120.694 120.300 0.020 0.000 2.497 257 Y HA 0.502 5.196 4.550 0.241 0.000 0.333 257 Y C 0.020 175.941 175.900 0.036 0.000 1.046 257 Y CA -0.434 57.681 58.100 0.025 0.000 1.160 257 Y CB 0.277 38.751 38.460 0.023 0.000 1.123 257 Y HN 0.724 nan 8.280 nan 0.000 0.638 258 G N -0.274 108.468 108.800 -0.098 0.000 3.434 258 G HA2 0.410 4.515 3.960 0.241 0.000 0.197 258 G HA3 0.410 4.515 3.960 0.241 0.000 0.197 258 G C -0.569 174.349 174.900 0.030 0.000 1.559 258 G CA -0.134 44.955 45.100 -0.018 0.000 0.852 258 G HN 0.355 nan 8.290 nan 0.000 0.682 259 S N -0.455 115.266 115.700 0.035 0.000 3.459 259 S HA 0.145 4.759 4.470 0.241 0.000 0.117 259 S C 0.055 174.684 174.600 0.049 0.000 0.859 259 S CA -0.378 57.835 58.200 0.021 0.000 0.826 259 S CB -0.699 62.493 63.200 -0.013 0.000 1.338 259 S HN 0.886 nan 8.310 nan 0.000 0.668 260 R N 0.531 121.065 120.500 0.057 0.000 2.524 260 R HA 0.782 5.267 4.340 0.241 0.000 0.236 260 R C -0.429 175.907 176.300 0.060 0.000 1.240 260 R CA -0.720 55.430 56.100 0.084 0.000 1.111 260 R CB 0.427 30.782 30.300 0.092 0.000 1.436 260 R HN 0.295 nan 8.270 nan 0.000 0.573 261 E N -0.196 120.047 120.200 0.071 0.000 2.290 261 E HA 0.425 4.919 4.350 0.241 0.000 0.274 261 E C -1.831 174.790 176.600 0.035 0.000 0.889 261 E CA -0.603 55.826 56.400 0.048 0.000 0.760 261 E CB 1.700 31.434 29.700 0.056 0.000 1.206 261 E HN 0.484 nan 8.360 nan 0.000 0.419 262 I N 4.827 125.399 120.570 0.003 0.000 2.466 262 I HA 0.366 4.681 4.170 0.241 0.000 0.289 262 I C -1.082 175.004 176.117 -0.052 0.000 1.026 262 I CA -0.542 60.747 61.300 -0.018 0.000 1.078 262 I CB 1.513 39.494 38.000 -0.033 0.000 1.249 262 I HN 0.485 nan 8.210 nan 0.000 0.429 263 I N 5.039 125.564 120.570 -0.074 0.000 2.354 263 I HA 0.335 4.649 4.170 0.241 0.000 0.292 263 I C 0.035 176.091 176.117 -0.102 0.000 0.989 263 I CA -0.487 60.717 61.300 -0.160 0.000 1.188 263 I CB 1.343 39.156 38.000 -0.312 0.000 1.342 263 I HN 0.452 nan 8.210 nan 0.000 0.457 264 T N 7.524 122.029 114.554 -0.082 0.000 2.728 264 T HA 0.501 4.995 4.350 0.241 0.000 0.296 264 T C 0.294 175.017 174.700 0.038 0.000 0.940 264 T CA -0.365 61.722 62.100 -0.022 0.000 1.013 264 T CB 0.500 69.369 68.868 0.001 0.000 0.912 264 T HN 0.270 nan 8.240 nan 0.000 0.484 265 L N 4.277 125.530 121.223 0.051 0.000 2.259 265 L HA 0.433 4.917 4.340 0.241 0.000 0.288 265 L C -0.167 176.808 176.870 0.176 0.000 1.051 265 L CA -0.901 54.012 54.840 0.122 0.000 0.824 265 L CB 0.101 42.234 42.059 0.123 0.000 1.206 265 L HN 0.519 nan 8.230 nan 0.000 0.429 266 F N 2.524 122.475 119.950 0.001 0.000 2.602 266 F HA 0.262 4.934 4.527 0.241 0.000 0.385 266 F C 1.485 177.331 175.800 0.077 0.000 1.063 266 F CA 1.094 59.124 58.000 0.049 0.000 1.233 266 F CB 0.485 39.504 39.000 0.033 0.000 1.067 266 F HN 0.747 nan 8.300 nan 0.000 0.564 267 G N 3.208 112.143 108.800 0.225 0.000 2.175 267 G HA2 -0.253 3.851 3.960 0.241 0.000 0.244 267 G HA3 -0.253 3.851 3.960 0.241 0.000 0.244 267 G C -0.170 174.767 174.900 0.063 0.000 0.982 267 G CA -0.189 45.000 45.100 0.149 0.000 0.641 267 G HN 0.562 nan 8.290 nan 0.000 0.527 268 I N 1.104 121.716 120.570 0.071 0.000 2.545 268 I HA 0.467 4.782 4.170 0.241 0.000 0.292 268 I C -0.245 175.913 176.117 0.067 0.000 1.040 268 I CA -0.838 60.505 61.300 0.071 0.000 1.068 268 I CB 2.342 40.414 38.000 0.121 0.000 1.251 268 I HN 0.005 nan 8.210 nan 0.000 0.424 269 S N 4.688 120.429 115.700 0.068 0.000 2.404 269 S HA 0.329 4.943 4.470 0.241 0.000 0.309 269 S C -0.215 174.449 174.600 0.106 0.000 1.076 269 S CA -0.528 57.713 58.200 0.069 0.000 1.095 269 S CB 0.874 64.105 63.200 0.051 0.000 0.972 269 S HN 0.281 nan 8.310 nan 0.000 0.484 270 V N 6.188 126.170 119.914 0.114 0.000 2.353 270 V HA 0.251 4.515 4.120 0.241 0.000 0.264 270 V C -0.147 176.055 176.094 0.180 0.000 1.049 270 V CA -0.232 62.157 62.300 0.150 0.000 0.896 270 V CB 0.081 31.980 31.823 0.127 0.000 1.025 270 V HN 0.710 nan 8.190 nan 0.000 0.475 271 L N 4.394 125.746 121.223 0.216 0.000 2.335 271 L HA 0.421 4.906 4.340 0.241 0.000 0.268 271 L C 0.299 177.318 176.870 0.248 0.000 1.037 271 L CA -0.374 54.638 54.840 0.287 0.000 0.895 271 L CB 0.850 43.045 42.059 0.226 0.000 1.266 271 L HN 0.492 nan 8.230 nan 0.000 0.439 272 D N 0.907 121.402 120.400 0.158 0.000 2.450 272 D HA -0.115 4.669 4.640 0.241 0.000 0.247 272 D C 0.718 177.077 176.300 0.097 0.000 1.162 272 D CA 0.395 54.445 54.000 0.083 0.000 0.879 272 D CB 0.878 41.633 40.800 -0.075 0.000 1.163 272 D HN 0.347 nan 8.370 nan 0.000 0.472 273 Y N 3.699 124.071 120.300 0.120 0.000 2.224 273 Y HA -0.173 4.522 4.550 0.242 0.000 0.289 273 Y C 2.243 178.181 175.900 0.063 0.000 1.146 273 Y CA 1.020 59.265 58.100 0.241 0.000 1.182 273 Y CB -0.058 38.671 38.460 0.449 0.000 0.983 273 Y HN 0.576 nan 8.280 nan 0.000 0.524 274 I N -0.207 120.152 120.570 -0.352 0.000 2.194 274 I HA -0.382 3.932 4.170 0.241 0.000 0.246 274 I C 1.753 177.681 176.117 -0.314 0.000 1.093 274 I CA 2.076 62.965 61.300 -0.684 0.000 1.355 274 I CB -0.194 37.180 38.000 -1.043 0.000 1.046 274 I HN 0.211 nan 8.210 nan 0.000 0.413 275 D N 0.227 120.454 120.400 -0.287 0.000 2.162 275 D HA -0.104 4.681 4.640 0.241 0.000 0.203 275 D C 2.326 178.573 176.300 -0.088 0.000 0.967 275 D CA 1.081 54.886 54.000 -0.326 0.000 0.840 275 D CB -0.237 40.174 40.800 -0.649 0.000 0.972 275 D HN 0.366 nan 8.370 nan 0.000 0.482 276 L N 0.000 121.252 121.223 0.047 0.000 2.013 276 L HA -0.242 4.243 4.340 0.241 0.000 0.212 276 L C 2.528 179.170 176.870 -0.380 0.000 1.073 276 L CA 1.275 56.025 54.840 -0.151 0.000 0.753 276 L CB -0.528 41.380 42.059 -0.250 0.000 0.890 276 L HN 0.063 nan 8.230 nan 0.000 0.432 277 Y N 0.862 121.028 120.300 -0.223 0.000 2.145 277 Y HA -0.273 4.422 4.550 0.242 0.000 0.286 277 Y C 2.634 178.455 175.900 -0.131 0.000 1.145 277 Y CA 1.693 59.796 58.100 0.005 0.000 1.148 277 Y CB -0.038 38.678 38.460 0.428 0.000 0.981 277 Y HN -0.015 nan 8.280 nan 0.000 0.507 278 K N 0.045 120.413 120.400 -0.054 0.000 2.103 278 K HA -0.238 4.227 4.320 0.241 0.000 0.207 278 K C 2.187 178.556 176.600 -0.384 0.000 1.048 278 K CA 1.854 58.020 56.287 -0.202 0.000 0.930 278 K CB -0.157 32.162 32.500 -0.303 0.000 0.716 278 K HN 0.233 nan 8.250 nan 0.000 0.444 279 K N -0.055 120.034 120.400 -0.518 0.000 2.076 279 K HA -0.041 4.424 4.320 0.241 0.000 0.204 279 K C 1.349 177.500 176.600 -0.749 0.000 1.051 279 K CA 1.200 57.057 56.287 -0.718 0.000 0.949 279 K CB 0.161 32.080 32.500 -0.969 0.000 0.726 279 K HN 0.084 nan 8.250 nan 0.000 0.443 280 F N -0.454 119.127 119.950 -0.615 0.000 2.724 280 F HA 0.073 4.744 4.527 0.240 0.000 0.306 280 F C 2.101 177.649 175.800 -0.421 0.000 1.100 280 F CA -0.224 57.404 58.000 -0.620 0.000 1.255 280 F CB 0.685 39.074 39.000 -1.019 0.000 1.072 280 F HN 0.083 nan 8.300 nan 0.000 0.589 281 S N -0.219 115.264 115.700 -0.360 0.000 2.496 281 S HA -0.100 4.515 4.470 0.241 0.000 0.224 281 S C 0.727 175.431 174.600 0.173 0.000 0.996 281 S CA -0.013 58.169 58.200 -0.031 0.000 0.927 281 S CB -0.936 61.879 63.200 -0.642 0.000 0.774 281 S HN 0.331 nan 8.310 nan 0.000 0.524 282 F N 2.563 122.473 119.950 -0.068 0.000 3.027 282 F HA -0.203 4.468 4.527 0.240 0.000 0.276 282 F C 0.780 176.585 175.800 0.009 0.000 0.967 282 F CA 0.787 58.780 58.000 -0.013 0.000 0.929 282 F CB -2.398 36.616 39.000 0.024 0.000 0.873 282 F HN 0.532 nan 8.300 nan 0.000 0.787 283 T N -2.948 111.631 114.554 0.043 0.000 2.940 283 T HA 0.678 5.172 4.350 0.241 0.000 0.288 283 T C -0.536 174.182 174.700 0.030 0.000 1.045 283 T CA -0.962 61.169 62.100 0.053 0.000 1.018 283 T CB 2.467 71.350 68.868 0.024 0.000 1.151 283 T HN 0.132 nan 8.240 nan 0.000 0.529 284 N N 1.353 120.064 118.700 0.017 0.000 2.519 284 N HA 0.239 5.124 4.740 0.241 0.000 0.286 284 N C -1.161 174.311 175.510 -0.063 0.000 1.079 284 N CA -0.436 52.631 53.050 0.027 0.000 0.878 284 N CB 1.515 40.007 38.487 0.009 0.000 1.375 284 N HN 0.542 nan 8.380 nan 0.000 0.514 285 Q N 2.801 122.506 119.800 -0.159 0.000 2.222 285 Q HA 0.405 4.889 4.340 0.241 0.000 0.252 285 Q C -1.599 174.125 176.000 -0.459 0.000 0.926 285 Q CA -1.571 53.974 55.803 -0.431 0.000 0.899 285 Q CB 1.610 29.868 28.738 -0.801 0.000 1.250 285 Q HN 0.473 nan 8.270 nan 0.000 0.441 286 P HA -0.046 nan 4.420 nan 0.000 0.229 286 P C 0.208 177.117 177.300 -0.652 0.000 1.160 286 P CA 0.711 63.526 63.100 -0.474 0.000 0.777 286 P CB 0.721 32.191 31.700 -0.382 0.000 0.814 287 S N -1.633 113.530 115.700 -0.895 0.000 2.564 287 S HA 0.485 5.100 4.470 0.241 0.000 0.274 287 S C -1.082 173.120 174.600 -0.664 0.000 1.124 287 S CA -0.536 57.230 58.200 -0.723 0.000 0.869 287 S CB 0.789 63.508 63.200 -0.802 0.000 1.105 287 S HN -0.122 nan 8.310 nan 0.000 0.472 288 Y N 1.823 122.064 120.300 -0.098 0.000 2.682 288 Y HA 0.286 4.980 4.550 0.241 0.000 0.251 288 Y C 1.216 177.302 175.900 0.310 0.000 1.172 288 Y CA -0.281 57.889 58.100 0.116 0.000 1.186 288 Y CB 0.529 39.022 38.460 0.056 0.000 1.216 288 Y HN 0.699 nan 8.280 nan 0.000 0.540 289 S N -0.132 115.707 115.700 0.232 0.000 2.568 289 S HA -0.040 4.575 4.470 0.241 0.000 0.282 289 S C 1.253 175.879 174.600 0.045 0.000 1.338 289 S CA -0.526 57.798 58.200 0.207 0.000 1.045 289 S CB 1.085 64.340 63.200 0.092 0.000 0.873 289 S HN 0.420 nan 8.310 nan 0.000 0.516 290 L N 1.591 122.671 121.223 -0.237 0.000 2.079 290 L HA -0.061 4.423 4.340 0.241 0.000 0.210 290 L C 1.742 178.371 176.870 -0.401 0.000 1.081 290 L CA 2.004 56.382 54.840 -0.771 0.000 0.752 290 L CB -1.204 40.365 42.059 -0.816 0.000 0.896 290 L HN 0.816 nan 8.230 nan 0.000 0.433 291 D N -1.862 118.423 120.400 -0.192 0.000 2.117 291 D HA -0.254 4.530 4.640 0.241 0.000 0.197 291 D C 1.957 178.200 176.300 -0.095 0.000 0.987 291 D CA 1.504 55.424 54.000 -0.133 0.000 0.829 291 D CB -0.201 40.561 40.800 -0.063 0.000 0.961 291 D HN 0.507 nan 8.370 nan 0.000 0.460 292 Y N 0.550 120.765 120.300 -0.141 0.000 2.220 292 Y HA -0.098 4.596 4.550 0.241 0.000 0.291 292 Y C 2.008 177.839 175.900 -0.115 0.000 1.129 292 Y CA 1.003 59.038 58.100 -0.108 0.000 1.161 292 Y CB 0.037 38.432 38.460 -0.109 0.000 0.997 292 Y HN -0.090 nan 8.280 nan 0.000 0.522 293 I N -0.692 119.841 120.570 -0.062 0.000 2.252 293 I HA -0.244 4.071 4.170 0.241 0.000 0.245 293 I C 2.320 178.346 176.117 -0.151 0.000 1.102 293 I CA 1.349 62.556 61.300 -0.155 0.000 1.385 293 I CB -1.529 36.229 38.000 -0.403 0.000 1.064 293 I HN 0.182 nan 8.210 nan 0.000 0.414 294 S N 0.479 116.027 115.700 -0.254 0.000 2.353 294 S HA -0.206 4.408 4.470 0.241 0.000 0.222 294 S C 1.925 176.433 174.600 -0.154 0.000 1.035 294 S CA 1.226 59.295 58.200 -0.218 0.000 1.025 294 S CB -0.281 62.760 63.200 -0.265 0.000 0.902 294 S HN 0.436 nan 8.310 nan 0.000 0.440 295 E N 0.542 120.637 120.200 -0.176 0.000 2.049 295 E HA -0.188 4.307 4.350 0.241 0.000 0.198 295 E C 1.841 178.353 176.600 -0.147 0.000 1.007 295 E CA 1.197 57.490 56.400 -0.178 0.000 0.809 295 E CB -0.273 29.285 29.700 -0.236 0.000 0.749 295 E HN 0.532 nan 8.360 nan 0.000 0.450 296 F N 1.736 121.504 119.950 -0.304 0.000 2.102 296 F HA -0.190 4.482 4.527 0.241 0.000 0.298 296 F C 2.309 178.059 175.800 -0.084 0.000 1.105 296 F CA 1.619 59.494 58.000 -0.208 0.000 1.239 296 F CB 0.090 38.982 39.000 -0.180 0.000 0.991 296 F HN -0.021 nan 8.300 nan 0.000 0.474 297 E N -0.002 120.261 120.200 0.104 0.000 2.122 297 E HA 0.012 4.507 4.350 0.241 0.000 0.190 297 E C 1.994 178.565 176.600 -0.049 0.000 0.977 297 E CA 1.145 57.588 56.400 0.073 0.000 0.820 297 E CB -0.014 29.792 29.700 0.176 0.000 0.770 297 E HN 0.466 nan 8.360 nan 0.000 0.462 298 L N 0.046 121.225 121.223 -0.074 0.000 2.966 298 L HA 0.196 4.680 4.340 0.241 0.000 0.262 298 L C -0.141 176.681 176.870 -0.080 0.000 1.165 298 L CA -0.207 54.590 54.840 -0.073 0.000 0.978 298 L CB 0.248 42.245 42.059 -0.103 0.000 1.337 298 L HN -0.111 nan 8.230 nan 0.000 0.563 299 N N 0.631 119.267 118.700 -0.107 0.000 2.725 299 N HA -0.136 4.749 4.740 0.241 0.000 0.249 299 N C -0.160 175.291 175.510 -0.100 0.000 1.103 299 N CA 1.106 54.093 53.050 -0.107 0.000 0.707 299 N CB -1.656 36.778 38.487 -0.088 0.000 1.043 299 N HN 0.320 nan 8.380 nan 0.000 0.553 300 V N -2.590 117.257 119.914 -0.112 0.000 2.644 300 V HA 0.890 5.155 4.120 0.241 0.000 0.295 300 V C 1.348 177.374 176.094 -0.114 0.000 1.053 300 V CA -0.370 61.864 62.300 -0.109 0.000 0.987 300 V CB 1.624 33.373 31.823 -0.122 0.000 1.006 300 V HN 0.174 nan 8.190 nan 0.000 0.472 301 G N 2.895 111.636 108.800 -0.098 0.000 2.569 301 G HA2 0.356 4.461 3.960 0.241 0.000 0.249 301 G HA3 0.356 4.461 3.960 0.241 0.000 0.249 301 G C 0.138 174.970 174.900 -0.114 0.000 1.216 301 G CA -0.673 44.372 45.100 -0.092 0.000 0.845 301 G HN 1.109 nan 8.290 nan 0.000 0.568 302 K N 0.400 120.738 120.400 -0.103 0.000 2.276 302 K HA 0.099 4.563 4.320 0.241 0.000 0.259 302 K C -0.633 175.879 176.600 -0.147 0.000 1.001 302 K CA -0.625 55.593 56.287 -0.116 0.000 0.927 302 K CB 0.869 33.322 32.500 -0.079 0.000 0.969 302 K HN 0.107 nan 8.250 nan 0.000 0.490 303 L N 3.232 124.328 121.223 -0.213 0.000 2.375 303 L HA 0.194 4.679 4.340 0.241 0.000 0.276 303 L C 0.168 177.030 176.870 -0.014 0.000 1.162 303 L CA 0.322 54.931 54.840 -0.385 0.000 0.991 303 L CB -0.600 41.025 42.059 -0.724 0.000 1.315 303 L HN 0.554 nan 8.230 nan 0.000 0.431 304 K N 3.427 123.876 120.400 0.081 0.000 2.350 304 K HA 0.413 4.878 4.320 0.241 0.000 0.279 304 K C -0.859 175.929 176.600 0.315 0.000 1.027 304 K CA 0.009 56.342 56.287 0.075 0.000 0.969 304 K CB 0.671 33.199 32.500 0.046 0.000 0.954 304 K HN 0.382 nan 8.250 nan 0.000 0.474 305 Y N -1.697 118.723 120.300 0.201 0.000 2.597 305 Y HA 0.403 5.098 4.550 0.241 0.000 0.340 305 Y C -1.122 174.837 175.900 0.098 0.000 1.097 305 Y CA -1.779 56.412 58.100 0.152 0.000 1.037 305 Y CB 0.915 39.474 38.460 0.166 0.000 1.305 305 Y HN 0.341 nan 8.280 nan 0.000 0.463 306 D N 1.210 121.765 120.400 0.260 0.000 2.256 306 D HA 0.497 5.281 4.640 0.241 0.000 0.250 306 D C 0.559 176.993 176.300 0.224 0.000 1.093 306 D CA 1.561 55.661 54.000 0.166 0.000 0.882 306 D CB 1.323 42.189 40.800 0.110 0.000 1.185 306 D HN 1.125 nan 8.370 nan 0.000 0.437 307 G N 2.556 111.453 108.800 0.161 0.000 2.855 307 G HA2 -0.147 3.957 3.960 0.241 0.000 0.352 307 G HA3 -0.147 3.957 3.960 0.241 0.000 0.352 307 G C -2.470 172.574 174.900 0.241 0.000 1.415 307 G CA -1.045 44.148 45.100 0.156 0.000 0.871 307 G HN 0.485 nan 8.290 nan 0.000 0.543 308 P HA 0.264 nan 4.420 nan 0.000 0.272 308 P C 1.146 178.563 177.300 0.195 0.000 1.230 308 P CA -0.609 62.609 63.100 0.197 0.000 0.788 308 P CB 0.733 32.499 31.700 0.109 0.000 0.949 309 I N 1.702 122.391 120.570 0.199 0.000 2.614 309 I HA -0.178 4.136 4.170 0.241 0.000 0.258 309 I C 1.963 178.095 176.117 0.026 0.000 1.189 309 I CA 1.728 63.057 61.300 0.049 0.000 1.462 309 I CB -0.932 37.108 38.000 0.068 0.000 1.092 309 I HN 0.387 nan 8.210 nan 0.000 0.442 310 S N -0.028 115.684 115.700 0.019 0.000 2.507 310 S HA -0.086 4.529 4.470 0.241 0.000 0.235 310 S C 1.450 176.012 174.600 -0.063 0.000 0.988 310 S CA 0.573 58.745 58.200 -0.046 0.000 0.944 310 S CB -0.194 62.970 63.200 -0.060 0.000 0.762 310 S HN 0.476 nan 8.310 nan 0.000 0.526 311 K N -0.230 120.155 120.400 -0.025 0.000 2.536 311 K HA 0.362 4.827 4.320 0.241 0.000 0.203 311 K C 0.791 177.369 176.600 -0.036 0.000 1.063 311 K CA -0.172 56.097 56.287 -0.030 0.000 1.063 311 K CB 0.420 32.921 32.500 0.002 0.000 0.843 311 K HN 0.146 nan 8.250 nan 0.000 0.521 312 L N 1.613 122.804 121.223 -0.054 0.000 2.044 312 L HA 0.026 4.511 4.340 0.241 0.000 0.205 312 L C 2.332 179.116 176.870 -0.143 0.000 1.075 312 L CA 1.717 56.525 54.840 -0.053 0.000 0.747 312 L CB -0.244 41.783 42.059 -0.054 0.000 0.903 312 L HN 0.092 nan 8.230 nan 0.000 0.435 313 R N -0.418 119.803 120.500 -0.465 0.000 2.083 313 R HA -0.240 4.245 4.340 0.241 0.000 0.237 313 R C 2.322 178.499 176.300 -0.205 0.000 1.137 313 R CA 1.954 57.656 56.100 -0.663 0.000 0.951 313 R CB -0.307 29.372 30.300 -1.035 0.000 0.851 313 R HN 0.585 nan 8.270 nan 0.000 0.434 314 E N -0.181 119.932 120.200 -0.144 0.000 2.077 314 E HA -0.174 4.320 4.350 0.241 0.000 0.193 314 E C 1.677 178.266 176.600 -0.019 0.000 0.989 314 E CA 1.823 58.190 56.400 -0.056 0.000 0.800 314 E CB 0.039 29.720 29.700 -0.032 0.000 0.746 314 E HN 0.494 nan 8.360 nan 0.000 0.452 315 S N -0.793 114.898 115.700 -0.015 0.000 2.470 315 S HA 0.034 4.649 4.470 0.241 0.000 0.222 315 S C 0.895 175.509 174.600 0.023 0.000 1.024 315 S CA 0.062 58.268 58.200 0.011 0.000 0.931 315 S CB 0.400 63.612 63.200 0.021 0.000 0.791 315 S HN 0.113 nan 8.310 nan 0.000 0.513 316 N N 0.651 119.365 118.700 0.023 0.000 2.732 316 N HA 0.121 5.006 4.740 0.241 0.000 0.235 316 N C 0.133 175.683 175.510 0.067 0.000 1.466 316 N CA -0.270 52.802 53.050 0.036 0.000 0.751 316 N CB -0.059 38.434 38.487 0.010 0.000 1.317 316 N HN 0.422 nan 8.380 nan 0.000 0.525 317 H N 0.594 119.671 119.070 0.012 0.000 2.387 317 H HA -0.184 4.516 4.556 0.241 0.000 0.299 317 H C 1.259 176.693 175.328 0.177 0.000 1.099 317 H CA 2.161 58.247 56.048 0.064 0.000 1.315 317 H CB 0.644 30.442 29.762 0.059 0.000 1.380 317 H HN 0.471 nan 8.280 nan 0.000 0.513 318 Q N 1.327 121.141 119.800 0.022 0.000 1.985 318 Q HA -0.217 4.268 4.340 0.241 0.000 0.207 318 Q C 2.666 178.682 176.000 0.028 0.000 0.996 318 Q CA 2.431 58.252 55.803 0.030 0.000 0.851 318 Q CB -0.446 28.290 28.738 -0.003 0.000 0.921 318 Q HN 0.414 nan 8.270 nan 0.000 0.418 319 R N -1.447 119.006 120.500 -0.078 0.000 2.081 319 R HA -0.202 4.282 4.340 0.241 0.000 0.235 319 R C 2.273 178.393 176.300 -0.299 0.000 1.131 319 R CA 1.520 57.443 56.100 -0.294 0.000 0.960 319 R CB -0.652 29.401 30.300 -0.412 0.000 0.856 319 R HN 0.469 nan 8.270 nan 0.000 0.436 320 Y N 0.832 120.979 120.300 -0.255 0.000 2.069 320 Y HA -0.303 4.391 4.550 0.241 0.000 0.278 320 Y C 1.885 177.717 175.900 -0.114 0.000 1.175 320 Y CA 1.928 59.928 58.100 -0.166 0.000 1.134 320 Y CB -0.115 38.287 38.460 -0.097 0.000 0.965 320 Y HN 0.055 nan 8.280 nan 0.000 0.498 321 I N -0.954 119.581 120.570 -0.060 0.000 2.252 321 I HA -0.252 4.062 4.170 0.241 0.000 0.245 321 I C 2.455 178.429 176.117 -0.238 0.000 1.102 321 I CA 1.506 62.671 61.300 -0.224 0.000 1.385 321 I CB -1.611 36.140 38.000 -0.415 0.000 1.064 321 I HN 0.177 nan 8.210 nan 0.000 0.414 322 S N -0.013 115.686 115.700 -0.001 0.000 2.370 322 S HA -0.183 4.431 4.470 0.241 0.000 0.226 322 S C 2.070 176.797 174.600 0.211 0.000 1.033 322 S CA 1.260 59.559 58.200 0.165 0.000 1.011 322 S CB -0.435 62.940 63.200 0.291 0.000 0.852 322 S HN 0.432 nan 8.310 nan 0.000 0.457 323 Y N 1.695 121.967 120.300 -0.047 0.000 2.293 323 Y HA -0.084 4.611 4.550 0.241 0.000 0.291 323 Y C 2.787 178.625 175.900 -0.104 0.000 1.137 323 Y CA 0.518 58.583 58.100 -0.059 0.000 1.202 323 Y CB -0.205 38.227 38.460 -0.046 0.000 0.990 323 Y HN 0.371 nan 8.280 nan 0.000 0.537 324 N N 1.156 119.849 118.700 -0.011 0.000 2.120 324 N HA -0.194 4.691 4.740 0.241 0.000 0.188 324 N C 1.677 177.181 175.510 -0.010 0.000 1.024 324 N CA 1.287 54.300 53.050 -0.062 0.000 0.852 324 N CB -0.155 38.246 38.487 -0.142 0.000 1.003 324 N HN 0.320 nan 8.380 nan 0.000 0.424 325 I N 1.000 121.540 120.570 -0.050 0.000 2.202 325 I HA -0.240 4.074 4.170 0.241 0.000 0.242 325 I C 2.255 178.338 176.117 -0.056 0.000 1.091 325 I CA 0.883 62.137 61.300 -0.077 0.000 1.368 325 I CB -0.206 37.672 38.000 -0.204 0.000 1.058 325 I HN 0.115 nan 8.210 nan 0.000 0.410 326 I N 0.808 121.366 120.570 -0.021 0.000 2.264 326 I HA -0.313 4.001 4.170 0.241 0.000 0.248 326 I C 2.762 178.872 176.117 -0.012 0.000 1.111 326 I CA 1.305 62.605 61.300 0.000 0.000 1.382 326 I CB -0.445 37.550 38.000 -0.009 0.000 1.060 326 I HN 0.208 nan 8.210 nan 0.000 0.418 327 A N 0.294 123.101 122.820 -0.022 0.000 1.908 327 A HA -0.169 4.296 4.320 0.241 0.000 0.218 327 A C 2.433 180.028 177.584 0.019 0.000 1.181 327 A CA 1.909 53.923 52.037 -0.039 0.000 0.627 327 A CB -0.952 18.036 19.000 -0.019 0.000 0.818 327 A HN 0.246 nan 8.150 nan 0.000 0.445 328 V N -1.513 118.470 119.914 0.114 0.000 2.307 328 V HA -0.246 4.019 4.120 0.241 0.000 0.245 328 V C 2.383 178.633 176.094 0.259 0.000 1.045 328 V CA 2.050 64.487 62.300 0.229 0.000 1.024 328 V CB -0.969 31.081 31.823 0.379 0.000 0.651 328 V HN 0.713 nan 8.190 nan 0.000 0.449 329 Y N 1.409 121.760 120.300 0.086 0.000 2.293 329 Y HA -0.139 4.555 4.550 0.241 0.000 0.291 329 Y C 2.644 178.518 175.900 -0.043 0.000 1.137 329 Y CA 1.261 59.392 58.100 0.052 0.000 1.202 329 Y CB -0.304 38.089 38.460 -0.112 0.000 0.990 329 Y HN 0.085 nan 8.280 nan 0.000 0.537 330 R N -0.319 120.058 120.500 -0.204 0.000 2.105 330 R HA -0.142 4.342 4.340 0.241 0.000 0.239 330 R C 2.264 178.369 176.300 -0.325 0.000 1.135 330 R CA 1.535 57.435 56.100 -0.334 0.000 0.967 330 R CB -1.251 28.877 30.300 -0.286 0.000 0.861 330 R HN 0.348 nan 8.270 nan 0.000 0.442 331 V N 1.334 121.106 119.914 -0.237 0.000 2.358 331 V HA -0.209 4.056 4.120 0.241 0.000 0.246 331 V C 2.421 178.317 176.094 -0.331 0.000 1.047 331 V CA 1.252 63.376 62.300 -0.292 0.000 1.035 331 V CB -0.497 31.259 31.823 -0.111 0.000 0.658 331 V HN 0.077 nan 8.190 nan 0.000 0.452 332 L N 0.054 121.164 121.223 -0.188 0.000 2.013 332 L HA -0.258 4.227 4.340 0.241 0.000 0.212 332 L C 2.591 179.334 176.870 -0.212 0.000 1.073 332 L CA 1.929 56.676 54.840 -0.155 0.000 0.753 332 L CB -1.388 40.629 42.059 -0.069 0.000 0.890 332 L HN 0.426 nan 8.230 nan 0.000 0.432 333 Q N -0.997 118.585 119.800 -0.363 0.000 2.084 333 Q HA -0.167 4.318 4.340 0.241 0.000 0.202 333 Q C 2.380 178.251 176.000 -0.216 0.000 0.978 333 Q CA 1.407 57.009 55.803 -0.336 0.000 0.844 333 Q CB -0.203 28.241 28.738 -0.490 0.000 0.898 333 Q HN 0.474 nan 8.270 nan 0.000 0.426 334 I N 0.988 121.416 120.570 -0.235 0.000 2.208 334 I HA -0.286 4.028 4.170 0.241 0.000 0.245 334 I C 2.023 178.067 176.117 -0.121 0.000 1.097 334 I CA 1.450 62.662 61.300 -0.146 0.000 1.363 334 I CB -0.196 37.727 38.000 -0.127 0.000 1.051 334 I HN 0.190 nan 8.210 nan 0.000 0.413 335 D N 0.588 120.877 120.400 -0.185 0.000 2.149 335 D HA -0.119 4.666 4.640 0.241 0.000 0.201 335 D C 2.191 178.458 176.300 -0.055 0.000 0.972 335 D CA 1.236 55.213 54.000 -0.039 0.000 0.835 335 D CB 0.065 40.890 40.800 0.041 0.000 0.966 335 D HN 0.284 nan 8.370 nan 0.000 0.476 336 A N 0.589 123.367 122.820 -0.069 0.000 1.908 336 A HA -0.242 4.223 4.320 0.241 0.000 0.218 336 A C 2.114 179.648 177.584 -0.083 0.000 1.181 336 A CA 1.845 53.850 52.037 -0.053 0.000 0.627 336 A CB -0.620 18.362 19.000 -0.030 0.000 0.818 336 A HN 0.248 nan 8.150 nan 0.000 0.445 337 K N -1.122 119.216 120.400 -0.103 0.000 1.973 337 K HA -0.112 4.353 4.320 0.241 0.000 0.210 337 K C 2.246 178.739 176.600 -0.178 0.000 1.045 337 K CA 1.058 57.267 56.287 -0.129 0.000 0.937 337 K CB -0.180 32.257 32.500 -0.105 0.000 0.721 337 K HN 0.238 nan 8.250 nan 0.000 0.438 338 R N 0.631 120.979 120.500 -0.253 0.000 2.148 338 R HA -0.015 4.470 4.340 0.241 0.000 0.223 338 R C 0.389 176.349 176.300 -0.566 0.000 1.088 338 R CA 0.791 56.566 56.100 -0.541 0.000 0.985 338 R CB -0.336 29.316 30.300 -1.081 0.000 0.880 338 R HN 0.464 nan 8.270 nan 0.000 0.451 339 Q N -0.425 119.184 119.800 -0.318 0.000 2.468 339 Q HA -0.181 4.304 4.340 0.241 0.000 0.289 339 Q C 0.035 176.013 176.000 -0.037 0.000 1.299 339 Q CA 0.460 56.183 55.803 -0.134 0.000 0.838 339 Q CB -1.781 26.890 28.738 -0.113 0.000 1.195 339 Q HN 0.207 nan 8.270 nan 0.000 0.456 340 F N -0.511 119.509 119.950 0.117 0.000 2.259 340 F HA -0.074 4.598 4.527 0.241 0.000 0.298 340 F C 2.202 177.991 175.800 -0.019 0.000 1.088 340 F CA 0.314 58.319 58.000 0.009 0.000 1.358 340 F CB -0.197 38.840 39.000 0.062 0.000 1.040 340 F HN 0.245 nan 8.300 nan 0.000 0.505 341 I N 0.326 121.048 120.570 0.253 0.000 2.142 341 I HA -0.302 4.012 4.170 0.241 0.000 0.240 341 I C 2.294 178.459 176.117 0.080 0.000 1.078 341 I CA 1.448 62.851 61.300 0.172 0.000 1.343 341 I CB -1.571 36.561 38.000 0.220 0.000 1.046 341 I HN 0.180 nan 8.210 nan 0.000 0.405 342 N N 1.416 120.153 118.700 0.063 0.000 2.060 342 N HA -0.254 4.630 4.740 0.241 0.000 0.195 342 N C 1.853 177.367 175.510 0.008 0.000 1.028 342 N CA 1.660 54.732 53.050 0.037 0.000 0.861 342 N CB -0.289 38.190 38.487 -0.013 0.000 1.029 342 N HN 0.250 nan 8.380 nan 0.000 0.428 343 L N 0.089 121.277 121.223 -0.059 0.000 2.046 343 L HA -0.005 4.479 4.340 0.241 0.000 0.208 343 L C 2.062 178.799 176.870 -0.221 0.000 1.077 343 L CA 1.684 56.416 54.840 -0.180 0.000 0.747 343 L CB -0.940 40.940 42.059 -0.298 0.000 0.896 343 L HN 0.118 nan 8.230 nan 0.000 0.432 344 S N -0.339 115.250 115.700 -0.185 0.000 2.382 344 S HA -0.127 4.488 4.470 0.241 0.000 0.228 344 S C 1.895 176.399 174.600 -0.160 0.000 1.027 344 S CA 1.723 59.819 58.200 -0.173 0.000 0.991 344 S CB -0.459 62.677 63.200 -0.107 0.000 0.823 344 S HN 0.462 nan 8.310 nan 0.000 0.469 345 L N 1.224 122.375 121.223 -0.120 0.000 2.044 345 L HA -0.107 4.378 4.340 0.241 0.000 0.205 345 L C 2.274 179.073 176.870 -0.118 0.000 1.075 345 L CA 1.044 55.760 54.840 -0.207 0.000 0.747 345 L CB -0.684 41.249 42.059 -0.210 0.000 0.903 345 L HN 0.143 nan 8.230 nan 0.000 0.435 346 D N 0.059 120.507 120.400 0.081 0.000 2.126 346 D HA -0.243 4.541 4.640 0.241 0.000 0.190 346 D C 2.296 178.664 176.300 0.113 0.000 1.001 346 D CA 1.722 55.845 54.000 0.205 0.000 0.841 346 D CB -0.145 40.710 40.800 0.093 0.000 0.949 346 D HN 0.267 nan 8.370 nan 0.000 0.446 347 M N -0.006 119.579 119.600 -0.025 0.000 2.077 347 M HA -0.043 4.581 4.480 0.241 0.000 0.261 347 M C 2.398 178.698 176.300 -0.001 0.000 1.070 347 M CA 1.679 56.953 55.300 -0.042 0.000 1.125 347 M CB -0.521 31.996 32.600 -0.138 0.000 1.339 347 M HN 0.036 nan 8.290 nan 0.000 0.409 348 G N -0.654 108.084 108.800 -0.103 0.000 2.440 348 G HA2 -0.244 3.860 3.960 0.241 0.000 0.218 348 G HA3 -0.244 3.860 3.960 0.241 0.000 0.218 348 G C 1.122 175.957 174.900 -0.109 0.000 1.154 348 G CA 0.986 45.989 45.100 -0.163 0.000 0.767 348 G HN 0.362 nan 8.290 nan 0.000 0.552 349 Y N -1.121 119.160 120.300 -0.033 0.000 2.314 349 Y HA 0.027 4.721 4.550 0.241 0.000 0.293 349 Y C 2.409 178.384 175.900 0.125 0.000 1.129 349 Y CA 0.590 58.693 58.100 0.005 0.000 1.201 349 Y CB -0.595 37.774 38.460 -0.151 0.000 0.999 349 Y HN 0.309 nan 8.280 nan 0.000 0.541 350 Y N 0.047 120.443 120.300 0.160 0.000 2.224 350 Y HA -0.198 4.496 4.550 0.240 0.000 0.289 350 Y C 2.333 178.271 175.900 0.063 0.000 1.146 350 Y CA 1.416 59.577 58.100 0.101 0.000 1.182 350 Y CB -0.304 38.184 38.460 0.048 0.000 0.983 350 Y HN 0.028 nan 8.280 nan 0.000 0.524 351 A N -0.322 122.571 122.820 0.122 0.000 2.081 351 A HA 0.084 4.549 4.320 0.241 0.000 0.214 351 A C 0.897 178.517 177.584 0.060 0.000 1.158 351 A CA 0.619 52.677 52.037 0.034 0.000 0.724 351 A CB -0.247 18.768 19.000 0.025 0.000 0.826 351 A HN 0.402 nan 8.150 nan 0.000 0.463 352 K N -0.476 119.995 120.400 0.119 0.000 3.353 352 K HA -0.143 4.321 4.320 0.241 0.000 0.272 352 K C -0.445 176.196 176.600 0.069 0.000 1.071 352 K CA 0.904 57.283 56.287 0.152 0.000 0.789 352 K CB -2.136 30.430 32.500 0.110 0.000 1.325 352 K HN 0.801 nan 8.250 nan 0.000 0.464 353 I N -3.288 117.329 120.570 0.079 0.000 3.067 353 I HA 0.331 4.645 4.170 0.241 0.000 0.312 353 I C 0.267 176.409 176.117 0.042 0.000 1.073 353 I CA -1.504 59.810 61.300 0.024 0.000 1.016 353 I CB 1.349 39.358 38.000 0.016 0.000 1.227 353 I HN -0.014 nan 8.210 nan 0.000 0.456 354 Q N 1.598 121.406 119.800 0.013 0.000 2.349 354 Q HA 0.117 4.602 4.340 0.241 0.000 0.287 354 Q C 0.857 176.848 176.000 -0.016 0.000 1.044 354 Q CA -0.294 55.529 55.803 0.033 0.000 0.918 354 Q CB 1.187 29.925 28.738 0.000 0.000 1.242 354 Q HN 0.526 nan 8.270 nan 0.000 0.405 355 I N 2.226 122.761 120.570 -0.058 0.000 2.361 355 I HA -0.291 4.023 4.170 0.241 0.000 0.251 355 I C 2.397 178.468 176.117 -0.076 0.000 1.133 355 I CA 1.494 62.714 61.300 -0.133 0.000 1.413 355 I CB -1.235 36.654 38.000 -0.184 0.000 1.073 355 I HN 0.762 nan 8.210 nan 0.000 0.424 356 Q N 0.393 120.190 119.800 -0.005 0.000 2.437 356 Q HA -0.076 4.409 4.340 0.241 0.000 0.210 356 Q C 1.696 177.755 176.000 0.098 0.000 0.972 356 Q CA 1.149 57.000 55.803 0.079 0.000 0.903 356 Q CB -0.771 28.034 28.738 0.111 0.000 0.967 356 Q HN 0.346 nan 8.270 nan 0.000 0.486 357 S N 1.528 117.241 115.700 0.021 0.000 2.515 357 S HA -0.043 4.572 4.470 0.241 0.000 0.231 357 S C 1.932 176.529 174.600 -0.004 0.000 0.987 357 S CA 0.823 59.038 58.200 0.025 0.000 0.936 357 S CB -0.270 62.934 63.200 0.006 0.000 0.766 357 S HN 0.513 nan 8.310 nan 0.000 0.528 358 V N -1.303 118.556 119.914 -0.093 0.000 3.026 358 V HA -0.064 4.201 4.120 0.241 0.000 0.265 358 V C 1.548 177.552 176.094 -0.149 0.000 1.121 358 V CA 1.362 63.588 62.300 -0.124 0.000 1.142 358 V CB -1.326 30.411 31.823 -0.143 0.000 0.730 358 V HN 0.347 nan 8.190 nan 0.000 0.503 359 F N 1.506 121.435 119.950 -0.035 0.000 2.451 359 F HA 0.162 4.834 4.527 0.240 0.000 0.299 359 F C 1.773 177.515 175.800 -0.096 0.000 1.101 359 F CA 1.265 59.185 58.000 -0.133 0.000 1.436 359 F CB -0.333 38.567 39.000 -0.167 0.000 1.074 359 F HN 0.294 nan 8.300 nan 0.000 0.553 360 S N 1.571 117.328 115.700 0.096 0.000 2.594 360 S HA 0.281 4.896 4.470 0.241 0.000 0.322 360 S C -1.545 173.095 174.600 0.067 0.000 1.085 360 S CA -1.678 56.563 58.200 0.069 0.000 1.116 360 S CB 0.980 64.215 63.200 0.058 0.000 0.979 360 S HN -0.162 nan 8.310 nan 0.000 0.465 361 P HA -0.009 nan 4.420 nan 0.000 0.226 361 P C 1.360 178.780 177.300 0.200 0.000 1.153 361 P CA 0.634 63.808 63.100 0.123 0.000 0.777 361 P CB 0.172 31.980 31.700 0.179 0.000 0.794 362 I N -0.129 120.540 120.570 0.166 0.000 2.233 362 I HA -0.210 4.105 4.170 0.241 0.000 0.243 362 I C 2.635 178.949 176.117 0.330 0.000 1.093 362 I CA 1.362 62.811 61.300 0.248 0.000 1.380 362 I CB -0.380 37.776 38.000 0.259 0.000 1.067 362 I HN -0.133 nan 8.210 nan 0.000 0.413 363 K N 0.833 121.354 120.400 0.200 0.000 2.009 363 K HA -0.168 4.296 4.320 0.241 0.000 0.210 363 K C 2.018 178.708 176.600 0.151 0.000 1.049 363 K CA 2.180 58.560 56.287 0.154 0.000 0.929 363 K CB -0.713 31.833 32.500 0.077 0.000 0.714 363 K HN 0.195 nan 8.250 nan 0.000 0.440 364 T N -0.467 114.136 114.554 0.081 0.000 2.652 364 T HA -0.175 4.320 4.350 0.241 0.000 0.267 364 T C 1.616 176.309 174.700 -0.012 0.000 1.039 364 T CA 1.909 63.990 62.100 -0.032 0.000 1.153 364 T CB -0.528 68.231 68.868 -0.183 0.000 0.863 364 T HN 0.415 nan 8.240 nan 0.000 0.428 365 W N 1.204 122.634 121.300 0.217 0.000 2.363 365 W HA -0.055 4.756 4.660 0.251 0.000 0.296 365 W C 2.361 179.122 176.519 0.403 0.000 1.212 365 W CA 0.492 58.014 57.345 0.294 0.000 1.260 365 W CB -0.305 29.314 29.460 0.265 0.000 1.131 365 W HN 0.285 nan 8.180 nan 0.000 0.530 366 D N 0.008 120.794 120.400 0.644 0.000 2.123 366 D HA -0.197 4.588 4.640 0.241 0.000 0.196 366 D C 2.182 178.730 176.300 0.413 0.000 0.992 366 D CA 2.072 56.382 54.000 0.516 0.000 0.833 366 D CB -0.381 40.633 40.800 0.356 0.000 0.954 366 D HN 0.017 nan 8.370 nan 0.000 0.455 367 A N -0.119 122.892 122.820 0.317 0.000 1.897 367 A HA -0.042 4.423 4.320 0.241 0.000 0.215 367 A C 2.446 180.207 177.584 0.296 0.000 1.181 367 A CA 0.886 53.112 52.037 0.315 0.000 0.620 367 A CB -0.675 18.442 19.000 0.196 0.000 0.821 367 A HN 0.331 nan 8.150 nan 0.000 0.443 368 I N -0.268 120.440 120.570 0.231 0.000 2.163 368 I HA -0.280 4.034 4.170 0.241 0.000 0.243 368 I C 2.276 178.532 176.117 0.231 0.000 1.085 368 I CA 1.500 62.907 61.300 0.177 0.000 1.347 368 I CB -0.299 37.801 38.000 0.166 0.000 1.044 368 I HN 0.301 nan 8.210 nan 0.000 0.408 369 I N -0.080 120.695 120.570 0.343 0.000 2.252 369 I HA -0.302 4.012 4.170 0.241 0.000 0.245 369 I C 2.487 178.739 176.117 0.225 0.000 1.102 369 I CA 1.375 62.822 61.300 0.246 0.000 1.385 369 I CB -0.403 37.722 38.000 0.209 0.000 1.064 369 I HN 0.172 nan 8.210 nan 0.000 0.414 370 F N 2.068 122.125 119.950 0.180 0.000 2.091 370 F HA -0.309 4.362 4.527 0.240 0.000 0.299 370 F C 2.407 178.268 175.800 0.100 0.000 1.103 370 F CA 1.847 59.934 58.000 0.146 0.000 1.228 370 F CB -0.332 38.758 39.000 0.149 0.000 0.984 370 F HN 0.069 nan 8.300 nan 0.000 0.477 371 N N -0.039 118.533 118.700 -0.213 0.000 2.142 371 N HA -0.200 4.685 4.740 0.241 0.000 0.186 371 N C 2.131 177.510 175.510 -0.217 0.000 1.023 371 N CA 1.405 54.242 53.050 -0.355 0.000 0.852 371 N CB -0.503 37.900 38.487 -0.140 0.000 0.998 371 N HN 0.346 nan 8.380 nan 0.000 0.424 372 S N 1.014 116.662 115.700 -0.086 0.000 2.365 372 S HA -0.035 4.579 4.470 0.241 0.000 0.225 372 S C 2.076 176.636 174.600 -0.067 0.000 1.039 372 S CA 0.912 59.083 58.200 -0.048 0.000 1.033 372 S CB -0.142 63.065 63.200 0.012 0.000 0.887 372 S HN 0.213 nan 8.310 nan 0.000 0.447 373 L N 0.956 122.139 121.223 -0.067 0.000 2.131 373 L HA 0.029 4.513 4.340 0.241 0.000 0.206 373 L C 2.623 179.447 176.870 -0.077 0.000 1.087 373 L CA 1.222 56.032 54.840 -0.050 0.000 0.767 373 L CB -0.456 41.606 42.059 0.004 0.000 0.917 373 L HN 0.313 nan 8.230 nan 0.000 0.441 374 K N 0.692 120.986 120.400 -0.176 0.000 2.063 374 K HA -0.277 4.188 4.320 0.241 0.000 0.208 374 K C 1.975 178.521 176.600 -0.090 0.000 1.048 374 K CA 1.837 58.019 56.287 -0.175 0.000 0.928 374 K CB 0.042 32.281 32.500 -0.437 0.000 0.713 374 K HN 0.070 nan 8.250 nan 0.000 0.442 375 E N 0.902 121.037 120.200 -0.109 0.000 2.265 375 E HA -0.167 4.328 4.350 0.241 0.000 0.196 375 E C 1.019 177.597 176.600 -0.036 0.000 0.996 375 E CA 1.375 57.739 56.400 -0.061 0.000 0.832 375 E CB 0.134 29.797 29.700 -0.062 0.000 0.756 375 E HN 0.436 nan 8.360 nan 0.000 0.491 376 Q N -0.534 119.244 119.800 -0.038 0.000 2.247 376 Q HA 0.191 4.676 4.340 0.241 0.000 0.204 376 Q C -0.193 175.797 176.000 -0.016 0.000 0.872 376 Q CA 0.079 55.863 55.803 -0.031 0.000 0.951 376 Q CB 0.535 29.250 28.738 -0.038 0.000 1.099 376 Q HN 0.168 nan 8.270 nan 0.000 0.501 377 N N 0.861 119.565 118.700 0.006 0.000 2.800 377 N HA -0.150 4.734 4.740 0.241 0.000 0.250 377 N C -0.956 174.609 175.510 0.091 0.000 1.078 377 N CA 1.132 54.215 53.050 0.055 0.000 0.804 377 N CB -0.863 37.612 38.487 -0.019 0.000 1.135 377 N HN 0.338 nan 8.380 nan 0.000 0.565 378 K N 0.398 120.819 120.400 0.035 0.000 2.154 378 K HA 0.517 4.981 4.320 0.241 0.000 0.264 378 K C 0.230 176.810 176.600 -0.033 0.000 1.008 378 K CA -0.445 55.858 56.287 0.026 0.000 0.937 378 K CB 1.649 34.151 32.500 0.002 0.000 1.002 378 K HN -0.167 nan 8.250 nan 0.000 0.469 379 V N 4.018 123.887 119.914 -0.074 0.000 2.417 379 V HA 0.265 4.530 4.120 0.241 0.000 0.291 379 V C 0.256 176.345 176.094 -0.008 0.000 1.024 379 V CA -0.986 61.200 62.300 -0.190 0.000 0.861 379 V CB 1.180 32.717 31.823 -0.477 0.000 0.985 379 V HN 0.667 nan 8.190 nan 0.000 0.436 380 I N 4.350 124.978 120.570 0.097 0.000 2.696 380 I HA 0.487 4.802 4.170 0.241 0.000 0.284 380 I C -2.165 174.021 176.117 0.114 0.000 1.129 380 I CA -1.710 59.692 61.300 0.171 0.000 1.410 380 I CB 1.024 39.187 38.000 0.273 0.000 1.399 380 I HN 0.374 nan 8.210 nan 0.000 0.579 381 P HA 0.083 nan 4.420 nan 0.000 0.274 381 P C -1.078 176.229 177.300 0.012 0.000 1.237 381 P CA -0.314 62.834 63.100 0.080 0.000 0.793 381 P CB 0.644 32.411 31.700 0.111 0.000 0.977 382 Q N 0.474 120.296 119.800 0.037 0.000 2.364 382 Q HA 0.293 4.778 4.340 0.241 0.000 0.267 382 Q C 0.550 176.524 176.000 -0.042 0.000 0.999 382 Q CA -0.218 55.586 55.803 0.001 0.000 0.886 382 Q CB 0.179 28.921 28.738 0.008 0.000 1.243 382 Q HN 0.618 nan 8.270 nan 0.000 0.415 383 G N 3.404 112.166 108.800 -0.062 0.000 2.441 383 G HA2 0.211 4.316 3.960 0.241 0.000 0.243 383 G HA3 0.211 4.316 3.960 0.241 0.000 0.243 383 G C -0.636 174.226 174.900 -0.064 0.000 1.281 383 G CA -0.284 44.780 45.100 -0.059 0.000 0.854 383 G HN 0.632 nan 8.290 nan 0.000 0.560 384 R N 0.462 120.909 120.500 -0.088 0.000 2.888 384 R HA 0.510 4.994 4.340 0.241 0.000 0.266 384 R C -0.180 175.806 176.300 -0.523 0.000 1.020 384 R CA -0.721 55.221 56.100 -0.263 0.000 0.963 384 R CB 1.911 32.047 30.300 -0.273 0.000 1.197 384 R HN 0.539 nan 8.270 nan 0.000 0.481 385 S N 1.033 116.422 115.700 -0.519 0.000 2.531 385 S HA 0.190 4.805 4.470 0.241 0.000 0.279 385 S C -0.891 173.246 174.600 -0.772 0.000 1.305 385 S CA -0.197 57.687 58.200 -0.526 0.000 1.058 385 S CB 0.111 63.124 63.200 -0.311 0.000 0.899 385 S HN 0.410 nan 8.310 nan 0.000 0.493 386 H N 3.152 122.023 119.070 -0.331 0.000 2.806 386 H HA 0.386 5.088 4.556 0.243 0.000 0.367 386 H C -2.677 172.484 175.328 -0.278 0.000 1.136 386 H CA -1.719 54.167 56.048 -0.270 0.000 1.178 386 H CB 1.118 30.655 29.762 -0.375 0.000 1.718 386 H HN 0.437 nan 8.280 nan 0.000 0.540 387 P HA 0.106 nan 4.420 nan 0.000 0.279 387 P C -0.076 177.212 177.300 -0.020 0.000 1.239 387 P CA -0.622 62.457 63.100 -0.035 0.000 0.789 387 P CB 0.903 32.607 31.700 0.007 0.000 0.933 388 V N 3.751 123.650 119.914 -0.024 0.000 2.529 388 V HA 0.060 4.325 4.120 0.241 0.000 0.292 388 V C 0.516 176.661 176.094 0.084 0.000 1.028 388 V CA 0.530 62.845 62.300 0.026 0.000 1.074 388 V CB -0.419 31.424 31.823 0.034 0.000 0.958 388 V HN 0.528 nan 8.190 nan 0.000 0.481 389 Q N 4.695 124.585 119.800 0.150 0.000 2.331 389 Q HA 0.448 4.933 4.340 0.241 0.000 0.272 389 Q C -2.590 173.541 176.000 0.220 0.000 1.062 389 Q CA -1.717 54.183 55.803 0.161 0.000 0.806 389 Q CB 2.690 31.526 28.738 0.163 0.000 1.312 389 Q HN 0.550 nan 8.270 nan 0.000 0.431 390 P HA 0.127 nan 4.420 nan 0.000 0.272 390 P C -1.532 175.910 177.300 0.236 0.000 1.230 390 P CA 0.048 63.235 63.100 0.144 0.000 0.788 390 P CB 0.250 31.997 31.700 0.078 0.000 0.949 391 Y N -1.143 119.196 120.300 0.065 0.000 2.609 391 Y HA 0.688 5.379 4.550 0.235 0.000 0.336 391 Y C -2.958 172.980 175.900 0.062 0.000 1.129 391 Y CA -2.599 55.533 58.100 0.054 0.000 1.040 391 Y CB -0.183 38.301 38.460 0.041 0.000 1.310 391 Y HN 0.228 nan 8.280 nan 0.000 0.460 392 P HA 0.536 nan 4.420 nan 0.000 0.277 392 P C -0.340 177.004 177.300 0.074 0.000 1.240 392 P CA 0.009 63.157 63.100 0.080 0.000 0.798 392 P CB 1.930 33.704 31.700 0.123 0.000 0.979 393 G N 0.030 108.863 108.800 0.055 0.000 3.414 393 G HA2 0.604 4.708 3.960 0.241 0.000 0.189 393 G HA3 0.604 4.708 3.960 0.241 0.000 0.189 393 G C -0.725 174.284 174.900 0.182 0.000 1.329 393 G CA -0.157 45.008 45.100 0.109 0.000 0.851 393 G HN 0.738 nan 8.290 nan 0.000 0.671 394 A N -0.864 122.075 122.820 0.198 0.000 2.264 394 A HA 0.653 5.118 4.320 0.241 0.000 0.304 394 A C -1.073 176.651 177.584 0.234 0.000 1.100 394 A CA -0.503 51.679 52.037 0.242 0.000 0.839 394 A CB 0.736 19.867 19.000 0.219 0.000 1.121 394 A HN 0.689 nan 8.150 nan 0.000 0.496 395 F N 1.539 121.552 119.950 0.106 0.000 2.394 395 F HA 0.561 5.237 4.527 0.248 0.000 0.340 395 F C -0.485 175.349 175.800 0.056 0.000 1.105 395 F CA -0.341 57.708 58.000 0.081 0.000 1.124 395 F CB 1.247 40.291 39.000 0.074 0.000 1.145 395 F HN 0.257 nan 8.300 nan 0.000 0.505 396 V N 6.454 125.875 119.914 -0.820 0.000 2.483 396 V HA 0.282 4.547 4.120 0.241 0.000 0.297 396 V C -0.289 175.209 176.094 -0.993 0.000 1.027 396 V CA -1.267 60.637 62.300 -0.660 0.000 0.855 396 V CB 1.508 33.193 31.823 -0.230 0.000 0.995 396 V HN 0.741 nan 8.190 nan 0.000 0.424 397 K N 2.449 122.392 120.400 -0.762 0.000 2.326 397 K HA 0.248 4.712 4.320 0.241 0.000 0.275 397 K C -0.016 176.538 176.600 -0.077 0.000 1.018 397 K CA -0.356 55.705 56.287 -0.376 0.000 0.962 397 K CB 0.815 33.238 32.500 -0.129 0.000 0.953 397 K HN 0.753 nan 8.250 nan 0.000 0.475 398 E N 5.530 125.739 120.200 0.016 0.000 2.129 398 E HA 0.156 4.650 4.350 0.241 0.000 0.283 398 E C -2.254 174.415 176.600 0.115 0.000 1.080 398 E CA -1.988 54.470 56.400 0.097 0.000 0.867 398 E CB 0.659 30.407 29.700 0.079 0.000 1.056 398 E HN 0.271 nan 8.360 nan 0.000 0.404 399 P HA 0.216 nan 4.420 nan 0.000 0.281 399 P C -0.467 176.881 177.300 0.081 0.000 1.249 399 P CA -0.381 62.734 63.100 0.025 0.000 0.810 399 P CB 0.884 32.474 31.700 -0.183 0.000 1.008 400 I N 3.597 124.230 120.570 0.105 0.000 2.436 400 I HA 0.130 4.444 4.170 0.241 0.000 0.289 400 I C -1.912 174.347 176.117 0.237 0.000 1.083 400 I CA -2.011 59.382 61.300 0.154 0.000 1.372 400 I CB 0.162 38.248 38.000 0.143 0.000 1.408 400 I HN 0.141 nan 8.210 nan 0.000 0.516 401 P HA 0.102 nan 4.420 nan 0.000 0.263 401 P C -0.623 176.786 177.300 0.183 0.000 1.195 401 P CA 0.275 63.520 63.100 0.243 0.000 0.762 401 P CB 0.448 32.250 31.700 0.170 0.000 0.799 402 N N 1.513 120.354 118.700 0.234 0.000 3.355 402 N HA 0.178 5.063 4.740 0.241 0.000 0.238 402 N C -1.366 174.169 175.510 0.040 0.000 1.466 402 N CA -0.895 52.141 53.050 -0.024 0.000 0.882 402 N CB 1.295 39.564 38.487 -0.364 0.000 1.406 402 N HN 0.237 nan 8.380 nan 0.000 0.500 403 R N 0.328 120.771 120.500 -0.096 0.000 2.490 403 R HA 0.543 5.028 4.340 0.241 0.000 0.278 403 R C -1.062 175.102 176.300 -0.226 0.000 1.069 403 R CA -0.118 55.998 56.100 0.027 0.000 1.080 403 R CB 0.474 30.783 30.300 0.014 0.000 1.030 403 R HN 0.458 nan 8.270 nan 0.000 0.491 404 Y N 0.880 121.312 120.300 0.220 0.000 2.331 404 Y HA 0.242 4.938 4.550 0.243 0.000 0.326 404 Y C 0.757 176.733 175.900 0.127 0.000 1.020 404 Y CA -0.898 57.311 58.100 0.181 0.000 1.136 404 Y CB 2.233 40.847 38.460 0.257 0.000 1.157 404 Y HN 0.726 nan 8.280 nan 0.000 0.444 405 K N 2.308 122.791 120.400 0.138 0.000 1.995 405 K HA 0.067 4.532 4.320 0.241 0.000 0.207 405 K C -0.653 175.798 176.600 -0.249 0.000 1.041 405 K CA 1.108 57.331 56.287 -0.107 0.000 0.942 405 K CB 0.117 32.486 32.500 -0.218 0.000 0.731 405 K HN 0.610 nan 8.250 nan 0.000 0.439 406 Y N 0.420 120.781 120.300 0.100 0.000 2.331 406 Y HA 0.417 5.111 4.550 0.240 0.000 0.338 406 Y C -0.774 175.248 175.900 0.202 0.000 0.992 406 Y CA -1.041 57.109 58.100 0.082 0.000 1.121 406 Y CB 1.974 40.383 38.460 -0.085 0.000 1.184 406 Y HN -0.248 nan 8.280 nan 0.000 0.469 407 V N 5.062 125.217 119.914 0.401 0.000 2.808 407 V HA 0.439 4.704 4.120 0.241 0.000 0.308 407 V C -0.534 175.765 176.094 0.340 0.000 1.099 407 V CA -1.052 61.471 62.300 0.373 0.000 0.920 407 V CB 2.085 34.163 31.823 0.425 0.000 1.014 407 V HN 0.769 nan 8.190 nan 0.000 0.425 408 M N 3.863 123.631 119.600 0.281 0.000 2.253 408 M HA 0.538 5.162 4.480 0.241 0.000 0.314 408 M C -0.206 176.102 176.300 0.013 0.000 1.019 408 M CA -0.342 55.035 55.300 0.128 0.000 0.932 408 M CB 2.334 35.029 32.600 0.158 0.000 1.606 408 M HN 0.791 nan 8.290 nan 0.000 0.430 409 S N 2.137 117.691 115.700 -0.243 0.000 2.638 409 S HA 0.891 5.506 4.470 0.241 0.000 0.298 409 S C -0.923 173.311 174.600 -0.611 0.000 1.111 409 S CA -0.598 57.342 58.200 -0.434 0.000 1.027 409 S CB 1.446 64.176 63.200 -0.783 0.000 1.064 409 S HN 0.479 nan 8.310 nan 0.000 0.525 410 F N 0.242 120.088 119.950 -0.174 0.000 2.601 410 F HA 0.652 5.324 4.527 0.241 0.000 0.309 410 F C -0.440 175.341 175.800 -0.032 0.000 1.089 410 F CA -0.560 57.413 58.000 -0.045 0.000 0.940 410 F CB 2.295 41.301 39.000 0.010 0.000 1.273 410 F HN 0.806 nan 8.300 nan 0.000 0.450 411 D N 1.912 122.432 120.400 0.199 0.000 2.837 411 D HA 0.333 5.117 4.640 0.241 0.000 0.220 411 D C -1.660 174.737 176.300 0.162 0.000 1.236 411 D CA -0.327 53.761 54.000 0.147 0.000 0.838 411 D CB 1.988 42.840 40.800 0.086 0.000 1.647 411 D HN 0.487 nan 8.370 nan 0.000 0.486 412 L N 1.702 123.009 121.223 0.141 0.000 2.349 412 L HA 0.285 4.769 4.340 0.241 0.000 0.275 412 L C 0.946 177.863 176.870 0.078 0.000 1.115 412 L CA -0.208 54.691 54.840 0.098 0.000 0.820 412 L CB 1.188 43.269 42.059 0.037 0.000 1.135 412 L HN 0.351 nan 8.230 nan 0.000 0.445 413 T N 1.811 116.419 114.554 0.090 0.000 2.853 413 T HA -0.047 4.448 4.350 0.241 0.000 0.298 413 T C 0.710 175.437 174.700 0.045 0.000 0.978 413 T CA 0.131 62.300 62.100 0.113 0.000 1.152 413 T CB 0.585 69.578 68.868 0.207 0.000 0.914 413 T HN 0.749 nan 8.240 nan 0.000 0.539 414 S N 2.382 118.133 115.700 0.086 0.000 3.336 414 S HA -0.157 4.458 4.470 0.241 0.000 0.362 414 S C 1.070 175.642 174.600 -0.047 0.000 0.941 414 S CA 0.144 58.375 58.200 0.051 0.000 1.297 414 S CB -1.175 62.113 63.200 0.147 0.000 0.915 414 S HN 0.644 nan 8.310 nan 0.000 0.527 415 L N 3.665 124.886 121.223 -0.003 0.000 1.955 415 L HA -0.043 4.441 4.340 0.241 0.000 0.213 415 L C 1.878 178.830 176.870 0.137 0.000 1.072 415 L CA 2.328 57.195 54.840 0.044 0.000 0.755 415 L CB -0.849 41.284 42.059 0.123 0.000 0.888 415 L HN 0.687 nan 8.230 nan 0.000 0.432 416 Y N -0.071 120.186 120.300 -0.071 0.000 2.128 416 Y HA -0.110 4.598 4.550 0.263 0.000 0.284 416 Y C -0.099 175.702 175.900 -0.165 0.000 1.154 416 Y CA 1.043 59.088 58.100 -0.092 0.000 1.149 416 Y CB -2.536 35.900 38.460 -0.040 0.000 0.976 416 Y HN 0.318 nan 8.280 nan 0.000 0.505 417 P HA -0.105 nan 4.420 nan 0.000 0.217 417 P C 1.870 179.003 177.300 -0.277 0.000 1.150 417 P CA 2.258 65.277 63.100 -0.135 0.000 0.832 417 P CB 0.012 31.657 31.700 -0.091 0.000 0.787 418 S N -0.780 114.722 115.700 -0.329 0.000 2.382 418 S HA -0.113 4.501 4.470 0.241 0.000 0.228 418 S C 1.876 176.225 174.600 -0.418 0.000 1.027 418 S CA 1.028 58.962 58.200 -0.444 0.000 0.991 418 S CB -1.049 61.871 63.200 -0.466 0.000 0.823 418 S HN 0.121 nan 8.310 nan 0.000 0.469 419 I N 1.224 121.578 120.570 -0.360 0.000 2.202 419 I HA -0.174 4.141 4.170 0.241 0.000 0.242 419 I C 2.065 177.853 176.117 -0.548 0.000 1.091 419 I CA 1.097 62.087 61.300 -0.516 0.000 1.368 419 I CB -0.414 37.322 38.000 -0.440 0.000 1.058 419 I HN 0.236 nan 8.210 nan 0.000 0.410 420 I N 0.653 120.974 120.570 -0.416 0.000 2.145 420 I HA -0.377 3.937 4.170 0.241 0.000 0.244 420 I C 2.714 178.601 176.117 -0.384 0.000 1.075 420 I CA 1.781 62.846 61.300 -0.391 0.000 1.332 420 I CB -0.377 37.444 38.000 -0.299 0.000 1.033 420 I HN 0.219 nan 8.210 nan 0.000 0.410 421 R N -0.133 120.157 120.500 -0.350 0.000 2.093 421 R HA -0.158 4.326 4.340 0.241 0.000 0.224 421 R C 2.252 178.366 176.300 -0.310 0.000 1.101 421 R CA 1.085 57.006 56.100 -0.299 0.000 0.979 421 R CB -0.322 29.807 30.300 -0.286 0.000 0.877 421 R HN 0.432 nan 8.270 nan 0.000 0.441 422 Q N 0.796 120.365 119.800 -0.385 0.000 2.046 422 Q HA -0.102 4.383 4.340 0.241 0.000 0.200 422 Q C 1.709 177.498 176.000 -0.351 0.000 0.975 422 Q CA 1.531 57.117 55.803 -0.362 0.000 0.836 422 Q CB 0.245 28.725 28.738 -0.430 0.000 0.896 422 Q HN 0.153 nan 8.270 nan 0.000 0.428 423 V N 0.824 120.444 119.914 -0.491 0.000 3.052 423 V HA -0.027 4.238 4.120 0.241 0.000 0.254 423 V C 0.453 176.314 176.094 -0.389 0.000 1.100 423 V CA 0.861 62.886 62.300 -0.457 0.000 1.112 423 V CB -0.700 30.734 31.823 -0.648 0.000 0.738 423 V HN 0.702 nan 8.190 nan 0.000 0.469 424 N N 0.026 118.487 118.700 -0.399 0.000 2.862 424 N HA -0.184 4.701 4.740 0.241 0.000 0.246 424 N C -0.523 174.694 175.510 -0.489 0.000 1.101 424 N CA 0.211 53.074 53.050 -0.312 0.000 0.679 424 N CB -1.571 36.839 38.487 -0.128 0.000 0.986 424 N HN 0.528 nan 8.380 nan 0.000 0.557 425 I N 0.394 120.564 120.570 -0.666 0.000 2.452 425 I HA 0.292 4.607 4.170 0.241 0.000 0.287 425 I C 0.782 176.689 176.117 -0.349 0.000 1.079 425 I CA 0.150 60.970 61.300 -0.800 0.000 1.387 425 I CB 1.107 38.675 38.000 -0.720 0.000 1.404 425 I HN 0.286 nan 8.210 nan 0.000 0.522 426 S N 7.074 122.681 115.700 -0.155 0.000 2.567 426 S HA 0.425 5.040 4.470 0.241 0.000 0.270 426 S C -2.091 172.530 174.600 0.035 0.000 1.152 426 S CA -1.007 57.146 58.200 -0.077 0.000 0.835 426 S CB 1.841 64.987 63.200 -0.091 0.000 1.115 426 S HN 0.329 nan 8.310 nan 0.000 0.459 427 P HA -0.109 nan 4.420 nan 0.000 0.218 427 P C 0.826 178.210 177.300 0.140 0.000 1.148 427 P CA 1.244 64.398 63.100 0.089 0.000 0.822 427 P CB 0.007 31.757 31.700 0.083 0.000 0.784 428 E N 0.141 120.356 120.200 0.025 0.000 2.474 428 E HA 0.003 4.497 4.350 0.241 0.000 0.195 428 E C 0.824 177.523 176.600 0.166 0.000 1.039 428 E CA 0.721 57.142 56.400 0.035 0.000 0.881 428 E CB -0.873 28.730 29.700 -0.162 0.000 0.970 428 E HN 0.255 nan 8.360 nan 0.000 0.486 429 T N -1.417 113.264 114.554 0.211 0.000 3.054 429 T HA 0.342 4.837 4.350 0.241 0.000 0.255 429 T C 0.945 175.842 174.700 0.330 0.000 1.035 429 T CA -0.483 61.819 62.100 0.336 0.000 0.941 429 T CB -0.467 68.558 68.868 0.261 0.000 1.026 429 T HN 0.016 nan 8.240 nan 0.000 0.533 430 I N 2.355 123.035 120.570 0.183 0.000 2.752 430 I HA 0.199 4.514 4.170 0.241 0.000 0.286 430 I C 1.521 177.465 176.117 -0.288 0.000 1.180 430 I CA -0.190 61.009 61.300 -0.168 0.000 1.404 430 I CB 0.670 38.605 38.000 -0.108 0.000 1.389 430 I HN 0.322 nan 8.210 nan 0.000 0.549 431 A N 5.039 127.420 122.820 -0.731 0.000 2.014 431 A HA 0.621 5.086 4.320 0.241 0.000 0.210 431 A C 1.044 178.183 177.584 -0.741 0.000 1.188 431 A CA 0.842 52.171 52.037 -1.179 0.000 0.731 431 A CB 0.136 17.893 19.000 -2.072 0.000 0.858 431 A HN 0.854 nan 8.150 nan 0.000 0.464 432 G N -1.853 106.600 108.800 -0.578 0.000 2.367 432 G HA2 0.468 4.573 3.960 0.241 0.000 0.272 432 G HA3 0.468 4.573 3.960 0.241 0.000 0.272 432 G C -0.549 174.179 174.900 -0.286 0.000 1.271 432 G CA 0.268 45.159 45.100 -0.349 0.000 0.893 432 G HN 0.978 nan 8.290 nan 0.000 0.485 433 T N -1.863 112.591 114.554 -0.167 0.000 2.901 433 T HA 0.857 5.352 4.350 0.241 0.000 0.293 433 T C -0.744 173.959 174.700 0.005 0.000 1.084 433 T CA -0.366 61.645 62.100 -0.149 0.000 1.008 433 T CB 2.093 70.847 68.868 -0.191 0.000 1.170 433 T HN 1.829 nan 8.240 nan 0.000 0.509 434 F N -1.332 118.575 119.950 -0.071 0.000 2.629 434 F HA 0.759 5.366 4.527 0.134 0.000 0.316 434 F C -0.393 175.405 175.800 -0.003 0.000 1.081 434 F CA -1.585 56.398 58.000 -0.027 0.000 0.954 434 F CB 1.638 40.629 39.000 -0.015 0.000 1.337 434 F HN 0.709 nan 8.300 nan 0.000 0.474 435 K N 2.104 122.629 120.400 0.208 0.000 2.412 435 K HA 0.396 4.860 4.320 0.241 0.000 0.284 435 K C -1.101 175.626 176.600 0.212 0.000 1.046 435 K CA -0.318 56.039 56.287 0.118 0.000 0.999 435 K CB 0.659 33.231 32.500 0.121 0.000 0.941 435 K HN 0.642 nan 8.250 nan 0.000 0.474 436 V N 4.423 124.368 119.914 0.052 0.000 2.432 436 V HA 0.235 4.500 4.120 0.241 0.000 0.271 436 V C 0.511 176.737 176.094 0.220 0.000 1.046 436 V CA -0.696 61.692 62.300 0.146 0.000 0.945 436 V CB 0.792 32.599 31.823 -0.026 0.000 0.992 436 V HN 0.908 nan 8.190 nan 0.000 0.471 437 A N 7.675 130.688 122.820 0.321 0.000 2.313 437 A HA 0.705 5.170 4.320 0.241 0.000 0.261 437 A C -2.270 175.357 177.584 0.072 0.000 1.090 437 A CA -1.446 50.606 52.037 0.025 0.000 0.807 437 A CB -0.129 18.670 19.000 -0.336 0.000 1.055 437 A HN 0.692 nan 8.150 nan 0.000 0.492 438 P HA 0.023 nan 4.420 nan 0.000 0.268 438 P C 0.961 178.337 177.300 0.126 0.000 1.208 438 P CA -0.303 62.843 63.100 0.076 0.000 0.777 438 P CB 0.372 32.099 31.700 0.044 0.000 0.875 439 L N 3.010 124.363 121.223 0.217 0.000 2.043 439 L HA -0.232 4.252 4.340 0.241 0.000 0.212 439 L C 2.129 179.113 176.870 0.190 0.000 1.075 439 L CA 2.014 57.011 54.840 0.263 0.000 0.752 439 L CB -1.175 40.994 42.059 0.183 0.000 0.891 439 L HN 0.480 nan 8.230 nan 0.000 0.432 440 H N -1.175 117.922 119.070 0.044 0.000 2.518 440 H HA -0.111 4.593 4.556 0.246 0.000 0.289 440 H C 1.355 176.685 175.328 0.005 0.000 1.051 440 H CA 1.109 57.165 56.048 0.014 0.000 1.280 440 H CB 0.184 29.940 29.762 -0.011 0.000 1.380 440 H HN 0.463 nan 8.280 nan 0.000 0.566 441 D N 0.078 120.505 120.400 0.045 0.000 2.183 441 D HA -0.103 4.681 4.640 0.241 0.000 0.203 441 D C 1.692 177.965 176.300 -0.044 0.000 0.969 441 D CA 0.814 54.771 54.000 -0.072 0.000 0.842 441 D CB -0.248 40.425 40.800 -0.213 0.000 0.957 441 D HN 0.402 nan 8.370 nan 0.000 0.484 442 Y N 0.669 121.090 120.300 0.202 0.000 2.263 442 Y HA 0.047 4.846 4.550 0.415 0.000 0.292 442 Y C 2.345 178.491 175.900 0.410 0.000 1.130 442 Y CA 0.251 58.546 58.100 0.325 0.000 1.179 442 Y CB -0.499 38.047 38.460 0.143 0.000 0.998 442 Y HN -0.064 nan 8.280 nan 0.000 0.532 443 I N 0.266 121.032 120.570 0.326 0.000 2.264 443 I HA -0.320 3.995 4.170 0.241 0.000 0.248 443 I C 1.229 177.391 176.117 0.074 0.000 1.111 443 I CA 1.438 62.866 61.300 0.212 0.000 1.382 443 I CB -0.286 37.655 38.000 -0.099 0.000 1.060 443 I HN 0.280 nan 8.210 nan 0.000 0.418 444 N N 0.923 119.637 118.700 0.025 0.000 2.322 444 N HA 0.189 5.074 4.740 0.241 0.000 0.194 444 N C 0.935 176.376 175.510 -0.115 0.000 1.126 444 N CA 0.806 53.798 53.050 -0.097 0.000 0.845 444 N CB 0.658 39.111 38.487 -0.056 0.000 0.976 444 N HN 0.275 nan 8.380 nan 0.000 0.475 445 A N 0.203 123.033 122.820 0.017 0.000 2.826 445 A HA -0.213 4.252 4.320 0.241 0.000 0.274 445 A C 1.474 179.002 177.584 -0.093 0.000 1.443 445 A CA 1.230 53.192 52.037 -0.124 0.000 0.833 445 A CB -2.242 16.546 19.000 -0.354 0.000 1.023 445 A HN 0.303 nan 8.150 nan 0.000 0.600 446 V N -4.216 115.704 119.914 0.010 0.000 3.471 446 V HA 0.648 4.912 4.120 0.241 0.000 0.258 446 V C 1.234 177.350 176.094 0.038 0.000 1.192 446 V CA 0.833 63.133 62.300 0.000 0.000 1.116 446 V CB -0.601 31.208 31.823 -0.023 0.000 0.792 446 V HN 1.942 nan 8.190 nan 0.000 0.459 447 A N 0.959 123.817 122.820 0.063 0.000 2.386 447 A HA 0.356 4.821 4.320 0.241 0.000 0.248 447 A C 0.387 178.059 177.584 0.147 0.000 1.082 447 A CA -0.155 51.867 52.037 -0.024 0.000 0.789 447 A CB 0.059 18.795 19.000 -0.440 0.000 1.025 447 A HN 0.633 nan 8.150 nan 0.000 0.490 448 E N 0.459 120.712 120.200 0.088 0.000 2.502 448 E HA 0.014 4.508 4.350 0.241 0.000 0.261 448 E C 0.417 177.106 176.600 0.149 0.000 0.974 448 E CA -0.070 56.399 56.400 0.115 0.000 0.936 448 E CB 0.337 30.078 29.700 0.070 0.000 0.926 448 E HN 0.527 nan 8.360 nan 0.000 0.459 449 R N 5.096 125.689 120.500 0.154 0.000 2.480 449 R HA -0.002 4.483 4.340 0.241 0.000 0.303 449 R C -1.775 174.440 176.300 -0.141 0.000 0.985 449 R CA -0.861 55.267 56.100 0.046 0.000 1.051 449 R CB 0.456 30.819 30.300 0.106 0.000 0.935 449 R HN 0.450 nan 8.270 nan 0.000 0.410 450 P HA -0.088 nan 4.420 nan 0.000 0.215 450 P C -0.310 176.702 177.300 -0.480 0.000 1.157 450 P CA 0.965 63.630 63.100 -0.725 0.000 0.868 450 P CB 0.300 31.099 31.700 -1.503 0.000 0.788 451 S N -2.091 113.405 115.700 -0.339 0.000 2.536 451 S HA 0.288 4.902 4.470 0.241 0.000 0.271 451 S C -0.458 174.058 174.600 -0.140 0.000 1.134 451 S CA -0.554 57.533 58.200 -0.188 0.000 0.897 451 S CB 1.169 64.296 63.200 -0.121 0.000 1.094 451 S HN -0.179 nan 8.310 nan 0.000 0.473 452 D N 2.516 122.841 120.400 -0.124 0.000 2.339 452 D HA 0.262 5.047 4.640 0.241 0.000 0.217 452 D C 0.980 177.188 176.300 -0.155 0.000 1.050 452 D CA 0.493 54.428 54.000 -0.107 0.000 0.856 452 D CB 0.456 41.208 40.800 -0.080 0.000 0.922 452 D HN 0.270 nan 8.370 nan 0.000 0.518 453 V N -0.576 119.186 119.914 -0.254 0.000 3.137 453 V HA 0.219 4.483 4.120 0.241 0.000 0.236 453 V C -0.233 175.574 176.094 -0.477 0.000 1.260 453 V CA 0.136 62.167 62.300 -0.447 0.000 1.244 453 V CB 0.165 31.535 31.823 -0.755 0.000 1.016 453 V HN -0.052 nan 8.190 nan 0.000 0.477 454 Y N -0.034 120.230 120.300 -0.060 0.000 2.602 454 Y HA 0.670 5.357 4.550 0.228 0.000 0.330 454 Y C 0.506 176.376 175.900 -0.051 0.000 1.114 454 Y CA -1.281 56.780 58.100 -0.066 0.000 1.182 454 Y CB 1.284 39.663 38.460 -0.134 0.000 1.305 454 Y HN -0.065 nan 8.280 nan 0.000 0.502 455 S N 0.699 116.509 115.700 0.184 0.000 2.438 455 S HA 0.606 5.221 4.470 0.241 0.000 0.293 455 S C -0.951 173.744 174.600 0.158 0.000 1.141 455 S CA -0.404 57.862 58.200 0.110 0.000 1.080 455 S CB -0.489 62.762 63.200 0.085 0.000 0.978 455 S HN 0.652 nan 8.310 nan 0.000 0.479 456 C N 3.214 122.567 119.300 0.088 0.000 2.562 456 C HA 0.862 5.467 4.460 0.241 0.000 0.332 456 C C 0.387 175.488 174.990 0.185 0.000 1.201 456 C CA -0.761 58.337 59.018 0.133 0.000 1.803 456 C CB 1.406 29.101 27.740 -0.075 0.000 2.328 456 C HN 0.860 nan 8.230 nan 0.000 0.500 457 S N 1.292 117.150 115.700 0.263 0.000 2.513 457 S HA 0.553 5.167 4.470 0.241 0.000 0.299 457 S C -2.002 172.682 174.600 0.140 0.000 1.087 457 S CA -1.158 57.197 58.200 0.259 0.000 1.012 457 S CB 1.670 64.999 63.200 0.215 0.000 1.044 457 S HN 0.627 nan 8.310 nan 0.000 0.485 458 P HA -0.033 nan 4.420 nan 0.000 0.236 458 P C 0.483 177.720 177.300 -0.104 0.000 1.172 458 P CA 0.549 63.497 63.100 -0.254 0.000 0.759 458 P CB -0.397 31.120 31.700 -0.305 0.000 0.843 459 N N -0.205 118.455 118.700 -0.066 0.000 2.383 459 N HA 0.018 4.902 4.740 0.241 0.000 0.192 459 N C 1.271 176.617 175.510 -0.273 0.000 1.141 459 N CA 0.731 53.719 53.050 -0.103 0.000 0.851 459 N CB -0.820 37.638 38.487 -0.048 0.000 0.976 459 N HN 0.170 nan 8.380 nan 0.000 0.465 460 G N -0.431 108.042 108.800 -0.546 0.000 2.176 460 G HA2 -0.215 3.890 3.960 0.241 0.000 0.232 460 G HA3 -0.215 3.890 3.960 0.241 0.000 0.232 460 G C -0.192 174.254 174.900 -0.756 0.000 0.986 460 G CA 0.090 44.461 45.100 -1.215 0.000 0.643 460 G HN 0.231 nan 8.290 nan 0.000 0.522 461 M N 0.782 120.215 119.600 -0.278 0.000 2.233 461 M HA 0.653 5.277 4.480 0.241 0.000 0.355 461 M C 0.576 176.811 176.300 -0.108 0.000 1.191 461 M CA -0.045 55.123 55.300 -0.221 0.000 1.101 461 M CB 0.971 33.470 32.600 -0.168 0.000 1.592 461 M HN 0.198 nan 8.290 nan 0.000 0.461 462 M N 3.088 122.460 119.600 -0.380 0.000 2.465 462 M HA 0.491 5.115 4.480 0.241 0.000 0.316 462 M C -1.573 174.249 176.300 -0.797 0.000 1.121 462 M CA -0.548 54.557 55.300 -0.325 0.000 0.934 462 M CB 2.043 34.538 32.600 -0.175 0.000 1.692 462 M HN 0.476 nan 8.290 nan 0.000 0.444 463 Y N -0.023 120.159 120.300 -0.197 0.000 2.512 463 Y HA 0.445 5.110 4.550 0.191 0.000 0.348 463 Y C -0.818 174.984 175.900 -0.163 0.000 0.990 463 Y CA -0.853 57.117 58.100 -0.216 0.000 1.033 463 Y CB 1.422 39.821 38.460 -0.102 0.000 1.259 463 Y HN 0.441 nan 8.280 nan 0.000 0.461 464 Y N 2.071 122.439 120.300 0.114 0.000 2.620 464 Y HA 0.035 4.735 4.550 0.251 0.000 0.330 464 Y C 1.228 177.217 175.900 0.149 0.000 1.186 464 Y CA 0.240 58.439 58.100 0.165 0.000 1.467 464 Y CB 0.711 39.226 38.460 0.093 0.000 1.262 464 Y HN 0.575 nan 8.280 nan 0.000 0.550 465 K N 1.484 122.063 120.400 0.298 0.000 2.314 465 K HA -0.078 4.387 4.320 0.241 0.000 0.198 465 K C 1.058 177.730 176.600 0.120 0.000 1.045 465 K CA 0.858 57.240 56.287 0.158 0.000 0.988 465 K CB 0.176 32.743 32.500 0.111 0.000 0.783 465 K HN 0.758 nan 8.250 nan 0.000 0.484 466 D N 1.881 122.372 120.400 0.152 0.000 2.091 466 D HA -0.129 4.655 4.640 0.241 0.000 0.199 466 D C 0.989 177.313 176.300 0.040 0.000 0.980 466 D CA 0.949 54.998 54.000 0.081 0.000 0.831 466 D CB -0.115 40.730 40.800 0.075 0.000 0.987 466 D HN 0.071 nan 8.370 nan 0.000 0.460 467 R N 1.650 122.171 120.500 0.035 0.000 2.643 467 R HA 0.395 4.879 4.340 0.241 0.000 0.272 467 R C -1.389 174.916 176.300 0.008 0.000 0.995 467 R CA -0.528 55.572 56.100 -0.002 0.000 1.032 467 R CB 0.463 30.738 30.300 -0.042 0.000 1.126 467 R HN -0.225 nan 8.270 nan 0.000 0.505 468 D N 0.394 120.786 120.400 -0.013 0.000 2.274 468 D HA 0.321 5.106 4.640 0.241 0.000 0.239 468 D C 0.082 176.362 176.300 -0.034 0.000 1.104 468 D CA 0.028 54.014 54.000 -0.022 0.000 0.840 468 D CB 1.442 42.227 40.800 -0.025 0.000 1.100 468 D HN 0.691 nan 8.370 nan 0.000 0.477 469 G N 0.759 109.533 108.800 -0.043 0.000 2.544 469 G HA2 0.074 4.178 3.960 0.241 0.000 0.242 469 G HA3 0.074 4.178 3.960 0.241 0.000 0.242 469 G C 1.233 176.086 174.900 -0.078 0.000 1.247 469 G CA -0.642 44.421 45.100 -0.062 0.000 0.840 469 G HN 0.459 nan 8.290 nan 0.000 0.578 470 V N 2.354 122.211 119.914 -0.097 0.000 2.392 470 V HA -0.179 4.085 4.120 0.241 0.000 0.249 470 V C 2.774 178.812 176.094 -0.094 0.000 1.059 470 V CA 2.296 64.542 62.300 -0.090 0.000 1.051 470 V CB -0.377 31.374 31.823 -0.121 0.000 0.658 470 V HN 0.488 nan 8.190 nan 0.000 0.455 471 V N 0.544 120.369 119.914 -0.150 0.000 2.244 471 V HA -0.108 4.157 4.120 0.241 0.000 0.244 471 V C 0.286 176.284 176.094 -0.160 0.000 1.042 471 V CA 2.655 64.846 62.300 -0.181 0.000 1.006 471 V CB -1.855 29.837 31.823 -0.217 0.000 0.641 471 V HN 0.504 nan 8.190 nan 0.000 0.446 472 P HA -0.151 nan 4.420 nan 0.000 0.215 472 P C 1.831 179.093 177.300 -0.063 0.000 1.157 472 P CA 1.985 65.006 63.100 -0.133 0.000 0.874 472 P CB -0.262 31.354 31.700 -0.140 0.000 0.790 473 T N -0.139 114.393 114.554 -0.036 0.000 2.652 473 T HA -0.160 4.335 4.350 0.241 0.000 0.267 473 T C 1.570 176.316 174.700 0.077 0.000 1.039 473 T CA 1.371 63.480 62.100 0.014 0.000 1.153 473 T CB -0.682 68.191 68.868 0.008 0.000 0.863 473 T HN 0.197 nan 8.240 nan 0.000 0.428 474 E N 0.502 120.763 120.200 0.103 0.000 2.158 474 E HA 0.102 4.597 4.350 0.241 0.000 0.191 474 E C 2.204 179.002 176.600 0.331 0.000 0.982 474 E CA 0.321 56.873 56.400 0.253 0.000 0.823 474 E CB -0.356 29.555 29.700 0.352 0.000 0.766 474 E HN 0.467 nan 8.360 nan 0.000 0.468 475 I N 1.128 121.775 120.570 0.128 0.000 2.315 475 I HA -0.242 4.072 4.170 0.241 0.000 0.248 475 I C 1.915 178.145 176.117 0.188 0.000 1.117 475 I CA 1.116 62.484 61.300 0.113 0.000 1.404 475 I CB 0.009 37.938 38.000 -0.118 0.000 1.071 475 I HN 0.048 nan 8.210 nan 0.000 0.419 476 T N 0.953 115.584 114.554 0.128 0.000 2.684 476 T HA -0.229 4.265 4.350 0.241 0.000 0.267 476 T C 1.806 176.648 174.700 0.238 0.000 1.036 476 T CA 1.591 63.792 62.100 0.169 0.000 1.148 476 T CB -0.171 68.752 68.868 0.092 0.000 0.863 476 T HN 0.359 nan 8.240 nan 0.000 0.436 477 K N 0.532 121.064 120.400 0.221 0.000 2.032 477 K HA -0.061 4.404 4.320 0.241 0.000 0.209 477 K C 2.329 179.041 176.600 0.186 0.000 1.048 477 K CA 1.176 57.593 56.287 0.217 0.000 0.927 477 K CB -0.488 32.179 32.500 0.278 0.000 0.712 477 K HN 0.165 nan 8.250 nan 0.000 0.441 478 V N 1.125 121.178 119.914 0.231 0.000 2.453 478 V HA -0.202 4.063 4.120 0.241 0.000 0.247 478 V C 1.960 178.134 176.094 0.134 0.000 1.048 478 V CA 1.421 63.797 62.300 0.126 0.000 1.049 478 V CB -0.560 31.376 31.823 0.189 0.000 0.672 478 V HN 0.232 nan 8.190 nan 0.000 0.457 479 F N 2.289 122.286 119.950 0.077 0.000 2.126 479 F HA -0.197 4.480 4.527 0.251 0.000 0.299 479 F C 2.229 178.039 175.800 0.015 0.000 1.096 479 F CA 1.922 59.946 58.000 0.040 0.000 1.255 479 F CB -0.405 38.611 39.000 0.027 0.000 0.997 479 F HN 0.188 nan 8.300 nan 0.000 0.479 480 N N 0.551 119.159 118.700 -0.152 0.000 2.188 480 N HA -0.167 4.717 4.740 0.241 0.000 0.184 480 N C 1.804 177.158 175.510 -0.259 0.000 1.018 480 N CA 1.467 54.358 53.050 -0.265 0.000 0.858 480 N CB -0.528 37.938 38.487 -0.036 0.000 0.989 480 N HN 0.550 nan 8.380 nan 0.000 0.426 481 Q N 0.296 120.005 119.800 -0.151 0.000 2.084 481 Q HA -0.055 4.430 4.340 0.241 0.000 0.202 481 Q C 2.164 178.103 176.000 -0.102 0.000 0.978 481 Q CA 0.894 56.626 55.803 -0.119 0.000 0.844 481 Q CB -0.031 28.672 28.738 -0.058 0.000 0.898 481 Q HN 0.221 nan 8.270 nan 0.000 0.426 482 R N 1.646 122.067 120.500 -0.130 0.000 2.073 482 R HA -0.169 4.316 4.340 0.241 0.000 0.234 482 R C 2.020 178.179 176.300 -0.235 0.000 1.134 482 R CA 1.677 57.704 56.100 -0.120 0.000 0.952 482 R CB -0.226 30.014 30.300 -0.099 0.000 0.850 482 R HN 0.134 nan 8.270 nan 0.000 0.433 483 K N 0.392 120.519 120.400 -0.455 0.000 2.044 483 K HA -0.172 4.292 4.320 0.241 0.000 0.210 483 K C 1.858 178.231 176.600 -0.379 0.000 1.049 483 K CA 1.938 57.949 56.287 -0.460 0.000 0.927 483 K CB 0.004 32.123 32.500 -0.635 0.000 0.713 483 K HN 0.238 nan 8.250 nan 0.000 0.443 484 E N -0.068 119.877 120.200 -0.425 0.000 2.051 484 E HA -0.204 4.290 4.350 0.241 0.000 0.192 484 E C 2.142 178.252 176.600 -0.817 0.000 0.991 484 E CA 1.137 57.172 56.400 -0.610 0.000 0.799 484 E CB -0.471 28.883 29.700 -0.577 0.000 0.748 484 E HN 0.535 nan 8.360 nan 0.000 0.449 485 H N 0.888 119.718 119.070 -0.400 0.000 2.387 485 H HA -0.026 4.675 4.556 0.240 0.000 0.299 485 H C 2.181 177.381 175.328 -0.214 0.000 1.090 485 H CA 1.313 57.220 56.048 -0.234 0.000 1.332 485 H CB 0.037 29.738 29.762 -0.102 0.000 1.386 485 H HN 0.125 nan 8.280 nan 0.000 0.516 486 K N 0.584 120.915 120.400 -0.115 0.000 2.097 486 K HA -0.083 4.381 4.320 0.241 0.000 0.205 486 K C 2.413 178.925 176.600 -0.147 0.000 1.050 486 K CA 0.968 57.191 56.287 -0.106 0.000 0.938 486 K CB -0.161 32.275 32.500 -0.105 0.000 0.718 486 K HN 0.233 nan 8.250 nan 0.000 0.442 487 G N 0.365 109.010 108.800 -0.259 0.000 2.476 487 G HA2 -0.268 3.837 3.960 0.241 0.000 0.218 487 G HA3 -0.268 3.837 3.960 0.241 0.000 0.218 487 G C 1.095 175.871 174.900 -0.205 0.000 1.164 487 G CA 1.075 46.013 45.100 -0.271 0.000 0.768 487 G HN 0.283 nan 8.290 nan 0.000 0.560 488 Y N -0.076 120.118 120.300 -0.177 0.000 2.200 488 Y HA 0.023 4.719 4.550 0.243 0.000 0.290 488 Y C 2.831 178.636 175.900 -0.159 0.000 1.137 488 Y CA 0.825 58.789 58.100 -0.226 0.000 1.163 488 Y CB -0.810 37.518 38.460 -0.219 0.000 0.988 488 Y HN 0.187 nan 8.280 nan 0.000 0.518 489 M N -0.464 119.161 119.600 0.042 0.000 2.117 489 M HA -0.199 4.425 4.480 0.241 0.000 0.262 489 M C 1.712 177.991 176.300 -0.035 0.000 1.065 489 M CA 1.854 57.152 55.300 -0.004 0.000 1.114 489 M CB -0.349 32.244 32.600 -0.012 0.000 1.361 489 M HN 0.318 nan 8.290 nan 0.000 0.408 490 L N 0.063 121.256 121.223 -0.050 0.000 2.156 490 L HA -0.083 4.401 4.340 0.241 0.000 0.208 490 L C 2.803 179.630 176.870 -0.071 0.000 1.095 490 L CA 0.858 55.663 54.840 -0.058 0.000 0.770 490 L CB -0.996 41.025 42.059 -0.063 0.000 0.914 490 L HN 0.383 nan 8.230 nan 0.000 0.439 491 A N 0.420 123.193 122.820 -0.078 0.000 1.877 491 A HA -0.193 4.272 4.320 0.241 0.000 0.216 491 A C 2.552 180.051 177.584 -0.141 0.000 1.186 491 A CA 1.819 53.792 52.037 -0.106 0.000 0.620 491 A CB -0.754 18.185 19.000 -0.101 0.000 0.822 491 A HN 0.378 nan 8.150 nan 0.000 0.443 492 A N -1.013 121.746 122.820 -0.102 0.000 1.972 492 A HA -0.213 4.251 4.320 0.241 0.000 0.219 492 A C 2.177 179.715 177.584 -0.077 0.000 1.169 492 A CA 1.811 53.800 52.037 -0.081 0.000 0.635 492 A CB -0.519 18.452 19.000 -0.049 0.000 0.810 492 A HN 0.692 nan 8.150 nan 0.000 0.446 493 Q N -0.526 119.236 119.800 -0.064 0.000 2.079 493 Q HA -0.146 4.339 4.340 0.241 0.000 0.200 493 Q C 2.297 178.272 176.000 -0.041 0.000 0.974 493 Q CA 1.288 57.069 55.803 -0.036 0.000 0.840 493 Q CB -0.086 28.640 28.738 -0.021 0.000 0.898 493 Q HN 0.674 nan 8.270 nan 0.000 0.430 494 R N 0.084 120.537 120.500 -0.079 0.000 2.096 494 R HA -0.080 4.404 4.340 0.241 0.000 0.235 494 R C 1.982 178.225 176.300 -0.095 0.000 1.127 494 R CA 1.313 57.362 56.100 -0.085 0.000 0.968 494 R CB -0.206 30.035 30.300 -0.098 0.000 0.861 494 R HN 0.315 nan 8.270 nan 0.000 0.440 495 N N 0.160 118.740 118.700 -0.201 0.000 2.188 495 N HA -0.093 4.791 4.740 0.241 0.000 0.184 495 N C 1.787 177.311 175.510 0.023 0.000 1.018 495 N CA 1.414 54.269 53.050 -0.326 0.000 0.858 495 N CB -0.520 37.482 38.487 -0.809 0.000 0.989 495 N HN 0.324 nan 8.380 nan 0.000 0.426 496 G N 1.319 110.129 108.800 0.017 0.000 2.422 496 G HA2 -0.201 3.903 3.960 0.241 0.000 0.218 496 G HA3 -0.201 3.903 3.960 0.241 0.000 0.218 496 G C 1.436 176.378 174.900 0.070 0.000 1.146 496 G CA 0.529 45.664 45.100 0.060 0.000 0.769 496 G HN 0.225 nan 8.290 nan 0.000 0.547 497 E N 0.414 120.650 120.200 0.059 0.000 2.152 497 E HA -0.004 4.491 4.350 0.241 0.000 0.192 497 E C 2.552 179.186 176.600 0.056 0.000 0.983 497 E CA 0.231 56.671 56.400 0.067 0.000 0.818 497 E CB -0.166 29.578 29.700 0.074 0.000 0.758 497 E HN 0.522 nan 8.360 nan 0.000 0.467 498 I N 0.749 121.371 120.570 0.086 0.000 2.226 498 I HA -0.272 4.043 4.170 0.241 0.000 0.245 498 I C 2.297 178.479 176.117 0.108 0.000 1.100 498 I CA 1.011 62.384 61.300 0.122 0.000 1.374 498 I CB -0.208 37.937 38.000 0.241 0.000 1.057 498 I HN 0.037 nan 8.210 nan 0.000 0.413 499 I N 0.376 121.036 120.570 0.151 0.000 2.252 499 I HA -0.263 4.051 4.170 0.241 0.000 0.245 499 I C 2.461 178.591 176.117 0.021 0.000 1.102 499 I CA 1.341 62.708 61.300 0.112 0.000 1.385 499 I CB -0.374 37.727 38.000 0.169 0.000 1.064 499 I HN 0.104 nan 8.210 nan 0.000 0.414 500 K N 0.530 120.930 120.400 0.001 0.000 2.032 500 K HA -0.269 4.196 4.320 0.241 0.000 0.209 500 K C 2.082 178.504 176.600 -0.296 0.000 1.048 500 K CA 1.862 58.107 56.287 -0.069 0.000 0.927 500 K CB -0.198 32.291 32.500 -0.019 0.000 0.712 500 K HN 0.179 nan 8.250 nan 0.000 0.441 501 E N 0.935 120.966 120.200 -0.282 0.000 2.058 501 E HA -0.195 4.299 4.350 0.241 0.000 0.194 501 E C 1.774 178.191 176.600 -0.306 0.000 0.997 501 E CA 1.565 57.713 56.400 -0.420 0.000 0.801 501 E CB -0.139 29.483 29.700 -0.129 0.000 0.746 501 E HN 0.318 nan 8.360 nan 0.000 0.450 502 A N 0.203 122.951 122.820 -0.120 0.000 2.019 502 A HA -0.100 4.365 4.320 0.241 0.000 0.219 502 A C 2.182 179.753 177.584 -0.022 0.000 1.164 502 A CA 1.080 53.093 52.037 -0.040 0.000 0.644 502 A CB -0.611 18.387 19.000 -0.003 0.000 0.805 502 A HN 0.361 nan 8.150 nan 0.000 0.449 503 L N -0.895 120.298 121.223 -0.049 0.000 2.362 503 L HA -0.158 4.327 4.340 0.241 0.000 0.219 503 L C 2.241 179.192 176.870 0.136 0.000 1.134 503 L CA 0.612 55.469 54.840 0.029 0.000 0.807 503 L CB -0.454 41.628 42.059 0.038 0.000 0.927 503 L HN 0.429 nan 8.230 nan 0.000 0.447 504 H N -0.453 118.640 119.070 0.039 0.000 2.389 504 H HA -0.002 4.699 4.556 0.241 0.000 0.299 504 H C 0.517 175.863 175.328 0.030 0.000 1.081 504 H CA 0.787 56.857 56.048 0.036 0.000 1.345 504 H CB -0.232 29.555 29.762 0.042 0.000 1.393 504 H HN 0.338 nan 8.280 nan 0.000 0.520 505 N N 1.577 120.366 118.700 0.148 0.000 2.813 505 N HA 0.150 5.035 4.740 0.241 0.000 0.282 505 N C -2.715 172.829 175.510 0.057 0.000 1.748 505 N CA -0.984 52.118 53.050 0.087 0.000 0.860 505 N CB 1.806 40.338 38.487 0.075 0.000 1.204 505 N HN 0.163 nan 8.380 nan 0.000 0.490 506 P HA 0.142 nan 4.420 nan 0.000 0.274 506 P C -0.671 176.646 177.300 0.027 0.000 1.231 506 P CA -0.199 62.923 63.100 0.037 0.000 0.790 506 P CB 1.068 32.791 31.700 0.038 0.000 0.951 507 N N 0.356 119.067 118.700 0.019 0.000 2.489 507 N HA 0.361 5.245 4.740 0.241 0.000 0.284 507 N C -0.391 175.126 175.510 0.012 0.000 1.158 507 N CA -0.617 52.441 53.050 0.014 0.000 0.965 507 N CB 0.585 39.078 38.487 0.009 0.000 1.195 507 N HN 0.293 nan 8.380 nan 0.000 0.506 508 L N 1.521 122.750 121.223 0.010 0.000 2.449 508 L HA 0.414 4.898 4.340 0.241 0.000 0.255 508 L C -0.486 176.387 176.870 0.005 0.000 1.167 508 L CA -0.125 54.720 54.840 0.008 0.000 1.090 508 L CB -0.775 41.289 42.059 0.008 0.000 1.385 508 L HN 0.502 nan 8.230 nan 0.000 0.411 509 S N 0.583 116.285 115.700 0.004 0.000 2.776 509 S HA 0.670 5.284 4.470 0.241 0.000 0.292 509 S C -0.994 173.607 174.600 0.002 0.000 1.187 509 S CA -0.688 57.513 58.200 0.002 0.000 0.834 509 S CB 2.952 66.152 63.200 0.001 0.000 1.199 509 S HN 0.080 nan 8.310 nan 0.000 0.514 510 V N 1.321 121.235 119.914 0.000 0.000 2.663 510 V HA 0.644 4.908 4.120 0.241 0.000 0.286 510 V C -2.273 173.821 176.094 -0.001 0.000 1.085 510 V CA 0.146 62.447 62.300 0.000 0.000 0.916 510 V CB 0.824 32.647 31.823 0.000 0.000 1.039 510 V HN 1.046 nan 8.190 nan 0.000 0.453 511 D N 3.611 124.010 120.400 -0.001 0.000 4.968 511 D HA 0.045 4.830 4.640 0.241 0.000 0.213 511 D C -1.075 175.226 176.300 0.002 0.000 1.527 511 D CA 0.627 54.627 54.000 -0.001 0.000 1.373 511 D CB 0.012 40.812 40.800 0.000 0.000 1.230 511 D HN 0.914 nan 8.370 nan 0.000 0.351 512 E N 3.019 123.220 120.200 0.001 0.000 2.317 512 E HA 0.606 5.100 4.350 0.241 0.000 0.270 512 E C -2.447 174.159 176.600 0.011 0.000 0.885 512 E CA -2.131 54.274 56.400 0.007 0.000 0.760 512 E CB 1.880 31.584 29.700 0.006 0.000 1.227 512 E HN 0.065 nan 8.360 nan 0.000 0.434 513 P HA -0.041 nan 4.420 nan 0.000 0.264 513 P C -0.704 176.611 177.300 0.026 0.000 1.183 513 P CA -0.229 62.898 63.100 0.045 0.000 0.763 513 P CB 0.332 32.083 31.700 0.085 0.000 0.807 514 L N 3.195 124.416 121.223 -0.004 0.000 2.397 514 L HA 0.125 4.609 4.340 0.241 0.000 0.271 514 L C 0.994 177.840 176.870 -0.039 0.000 1.148 514 L CA 0.430 55.236 54.840 -0.055 0.000 0.825 514 L CB -0.589 41.383 42.059 -0.146 0.000 1.117 514 L HN 0.345 nan 8.230 nan 0.000 0.456 515 D N 2.516 122.891 120.400 -0.042 0.000 2.517 515 D HA 0.317 5.102 4.640 0.241 0.000 0.220 515 D C -0.567 175.692 176.300 -0.068 0.000 1.158 515 D CA -0.013 53.974 54.000 -0.022 0.000 0.992 515 D CB 0.098 40.895 40.800 -0.004 0.000 1.058 515 D HN 0.247 nan 8.370 nan 0.000 0.516 516 V N 0.178 120.007 119.914 -0.141 0.000 3.046 516 V HA 0.584 4.848 4.120 0.241 0.000 0.316 516 V C -0.207 175.759 176.094 -0.213 0.000 1.104 516 V CA -1.084 61.094 62.300 -0.203 0.000 1.006 516 V CB 2.196 33.822 31.823 -0.327 0.000 1.058 516 V HN 0.094 nan 8.190 nan 0.000 0.440 517 D N 0.676 121.036 120.400 -0.066 0.000 2.412 517 D HA 0.347 5.132 4.640 0.241 0.000 0.224 517 D C 0.190 176.513 176.300 0.037 0.000 1.093 517 D CA -0.213 53.816 54.000 0.048 0.000 0.850 517 D CB 0.998 41.921 40.800 0.205 0.000 1.046 517 D HN 0.601 nan 8.370 nan 0.000 0.507 518 Y N 2.234 122.594 120.300 0.099 0.000 2.639 518 Y HA 0.010 4.704 4.550 0.241 0.000 0.297 518 Y C 2.141 177.956 175.900 -0.141 0.000 1.151 518 Y CA 0.472 58.575 58.100 0.005 0.000 1.335 518 Y CB 0.126 38.587 38.460 0.001 0.000 0.994 518 Y HN 0.277 nan 8.280 nan 0.000 0.548 519 R N -0.752 119.694 120.500 -0.091 0.000 2.307 519 R HA 0.038 4.523 4.340 0.241 0.000 0.199 519 R C -0.768 175.196 176.300 -0.561 0.000 1.000 519 R CA 0.382 56.256 56.100 -0.376 0.000 1.023 519 R CB 0.005 29.859 30.300 -0.743 0.000 0.908 519 R HN 0.102 nan 8.270 nan 0.000 0.473 520 F N 0.454 120.382 119.950 -0.037 0.000 2.520 520 F HA 0.213 4.885 4.527 0.241 0.000 0.322 520 F C 0.184 175.919 175.800 -0.110 0.000 1.103 520 F CA -1.593 56.390 58.000 -0.029 0.000 0.926 520 F CB 1.141 40.137 39.000 -0.006 0.000 1.154 520 F HN -0.230 nan 8.300 nan 0.000 0.453 521 D N 2.805 123.250 120.400 0.076 0.000 2.586 521 D HA -0.065 4.719 4.640 0.241 0.000 0.234 521 D C -0.039 176.302 176.300 0.069 0.000 1.132 521 D CA 0.676 54.656 54.000 -0.034 0.000 0.860 521 D CB 0.355 41.164 40.800 0.014 0.000 1.159 521 D HN 0.076 nan 8.370 nan 0.000 0.490 522 F N 1.452 121.426 119.950 0.040 0.000 2.629 522 F HA -0.073 4.599 4.527 0.242 0.000 0.377 522 F C 1.707 177.511 175.800 0.006 0.000 1.101 522 F CA -0.702 57.303 58.000 0.008 0.000 1.301 522 F CB -0.244 38.755 39.000 -0.001 0.000 1.062 522 F HN 0.073 nan 8.300 nan 0.000 0.583 523 S N 1.657 117.474 115.700 0.195 0.000 2.600 523 S HA 0.091 4.706 4.470 0.241 0.000 0.265 523 S C 0.919 175.561 174.600 0.070 0.000 1.325 523 S CA -0.742 57.512 58.200 0.091 0.000 1.002 523 S CB 0.844 64.068 63.200 0.041 0.000 0.921 523 S HN 0.554 nan 8.310 nan 0.000 0.554 524 D N 1.467 121.893 120.400 0.042 0.000 2.116 524 D HA -0.136 4.648 4.640 0.241 0.000 0.193 524 D C 1.826 178.128 176.300 0.004 0.000 0.998 524 D CA 1.985 56.000 54.000 0.026 0.000 0.836 524 D CB -0.538 40.272 40.800 0.017 0.000 0.951 524 D HN 0.787 nan 8.370 nan 0.000 0.449 525 E N 0.641 120.837 120.200 -0.008 0.000 2.049 525 E HA -0.154 4.341 4.350 0.241 0.000 0.198 525 E C 2.354 178.922 176.600 -0.053 0.000 1.007 525 E CA 0.754 57.138 56.400 -0.027 0.000 0.809 525 E CB -0.363 29.319 29.700 -0.030 0.000 0.749 525 E HN 0.342 nan 8.360 nan 0.000 0.450 526 I N 0.844 121.370 120.570 -0.073 0.000 2.226 526 I HA -0.280 4.035 4.170 0.241 0.000 0.245 526 I C 2.185 178.192 176.117 -0.183 0.000 1.100 526 I CA 1.249 62.447 61.300 -0.169 0.000 1.374 526 I CB -0.223 37.629 38.000 -0.247 0.000 1.057 526 I HN 0.026 nan 8.210 nan 0.000 0.413 527 K N 0.333 120.686 120.400 -0.078 0.000 2.147 527 K HA -0.156 4.309 4.320 0.241 0.000 0.205 527 K C 2.042 178.622 176.600 -0.032 0.000 1.049 527 K CA 1.029 57.299 56.287 -0.028 0.000 0.936 527 K CB -0.010 32.521 32.500 0.052 0.000 0.722 527 K HN 0.279 nan 8.250 nan 0.000 0.446 528 E N 0.892 121.073 120.200 -0.032 0.000 2.072 528 E HA -0.123 4.372 4.350 0.241 0.000 0.190 528 E C 1.797 178.374 176.600 -0.039 0.000 0.982 528 E CA 1.014 57.399 56.400 -0.025 0.000 0.803 528 E CB 0.027 29.716 29.700 -0.018 0.000 0.755 528 E HN 0.258 nan 8.360 nan 0.000 0.453 529 K N 0.665 121.028 120.400 -0.061 0.000 2.063 529 K HA -0.084 4.380 4.320 0.241 0.000 0.208 529 K C 2.312 178.867 176.600 -0.074 0.000 1.048 529 K CA 0.966 57.212 56.287 -0.069 0.000 0.928 529 K CB -0.216 32.230 32.500 -0.090 0.000 0.713 529 K HN 0.095 nan 8.250 nan 0.000 0.442 530 I N 1.335 121.844 120.570 -0.102 0.000 2.208 530 I HA -0.299 4.015 4.170 0.241 0.000 0.245 530 I C 1.830 177.925 176.117 -0.036 0.000 1.097 530 I CA 1.403 62.651 61.300 -0.087 0.000 1.363 530 I CB -0.171 37.759 38.000 -0.116 0.000 1.051 530 I HN 0.118 nan 8.210 nan 0.000 0.413 531 K N 0.581 120.966 120.400 -0.024 0.000 2.515 531 K HA -0.088 4.377 4.320 0.241 0.000 0.196 531 K C 1.410 178.008 176.600 -0.004 0.000 1.038 531 K CA 0.698 56.982 56.287 -0.006 0.000 0.967 531 K CB 0.081 32.581 32.500 0.001 0.000 0.780 531 K HN 0.314 nan 8.250 nan 0.000 0.483 532 K N 0.137 120.529 120.400 -0.012 0.000 2.374 532 K HA 0.186 4.650 4.320 0.241 0.000 0.202 532 K C 0.170 176.765 176.600 -0.008 0.000 1.040 532 K CA -0.061 56.221 56.287 -0.008 0.000 1.085 532 K CB 0.603 33.095 32.500 -0.013 0.000 0.873 532 K HN 0.050 nan 8.250 nan 0.000 0.539 533 L N 2.064 123.282 121.223 -0.010 0.000 2.418 533 L HA 0.090 4.575 4.340 0.241 0.000 0.265 533 L C 0.962 177.835 176.870 0.004 0.000 1.143 533 L CA -0.354 54.483 54.840 -0.006 0.000 0.809 533 L CB 0.979 43.032 42.059 -0.011 0.000 1.124 533 L HN 0.089 nan 8.230 nan 0.000 0.456 534 S N 1.020 116.724 115.700 0.006 0.000 2.600 534 S HA 0.252 4.867 4.470 0.241 0.000 0.265 534 S C 1.032 175.642 174.600 0.016 0.000 1.325 534 S CA -0.157 58.049 58.200 0.011 0.000 1.002 534 S CB 1.459 64.664 63.200 0.008 0.000 0.921 534 S HN 0.701 nan 8.310 nan 0.000 0.554 535 A N 1.840 124.671 122.820 0.018 0.000 1.883 535 A HA -0.125 4.340 4.320 0.241 0.000 0.217 535 A C 2.176 179.772 177.584 0.019 0.000 1.186 535 A CA 1.916 53.967 52.037 0.022 0.000 0.624 535 A CB -1.086 17.928 19.000 0.022 0.000 0.822 535 A HN 0.984 nan 8.150 nan 0.000 0.444 536 K N -0.332 120.075 120.400 0.012 0.000 2.015 536 K HA -0.186 4.278 4.320 0.241 0.000 0.216 536 K C 2.317 178.926 176.600 0.014 0.000 1.052 536 K CA 1.978 58.269 56.287 0.006 0.000 0.937 536 K CB -0.313 32.188 32.500 0.001 0.000 0.719 536 K HN 0.413 nan 8.250 nan 0.000 0.446 537 S N 0.950 116.661 115.700 0.018 0.000 2.368 537 S HA -0.088 4.527 4.470 0.241 0.000 0.225 537 S C 1.890 176.516 174.600 0.044 0.000 1.030 537 S CA 1.216 59.433 58.200 0.028 0.000 0.999 537 S CB -0.224 62.987 63.200 0.019 0.000 0.844 537 S HN 0.257 nan 8.310 nan 0.000 0.459 538 L N 1.287 122.533 121.223 0.039 0.000 2.042 538 L HA -0.183 4.302 4.340 0.241 0.000 0.210 538 L C 2.047 178.957 176.870 0.066 0.000 1.076 538 L CA 1.347 56.219 54.840 0.052 0.000 0.749 538 L CB -0.697 41.386 42.059 0.040 0.000 0.893 538 L HN 0.354 nan 8.230 nan 0.000 0.432 539 N N -0.916 117.814 118.700 0.050 0.000 2.244 539 N HA -0.185 4.699 4.740 0.241 0.000 0.183 539 N C 1.862 177.414 175.510 0.070 0.000 1.016 539 N CA 0.634 53.714 53.050 0.050 0.000 0.866 539 N CB 0.099 38.600 38.487 0.023 0.000 0.980 539 N HN 0.208 nan 8.380 nan 0.000 0.430 540 E N 0.657 120.895 120.200 0.064 0.000 2.107 540 E HA -0.044 4.451 4.350 0.241 0.000 0.191 540 E C 1.847 178.532 176.600 0.142 0.000 0.982 540 E CA 0.771 57.223 56.400 0.087 0.000 0.809 540 E CB 0.001 29.733 29.700 0.055 0.000 0.756 540 E HN 0.439 nan 8.360 nan 0.000 0.459 541 M N -0.030 119.655 119.600 0.142 0.000 2.159 541 M HA -0.185 4.440 4.480 0.241 0.000 0.263 541 M C 2.293 178.647 176.300 0.090 0.000 1.063 541 M CA 0.884 56.304 55.300 0.200 0.000 1.110 541 M CB -0.217 32.544 32.600 0.267 0.000 1.374 541 M HN 0.077 nan 8.290 nan 0.000 0.411 542 L N -0.052 121.229 121.223 0.097 0.000 2.027 542 L HA -0.150 4.335 4.340 0.241 0.000 0.206 542 L C 2.192 179.062 176.870 0.001 0.000 1.074 542 L CA 1.739 56.612 54.840 0.056 0.000 0.745 542 L CB -0.812 41.290 42.059 0.071 0.000 0.898 542 L HN 0.187 nan 8.230 nan 0.000 0.433 543 F N 0.606 120.500 119.950 -0.094 0.000 2.095 543 F HA -0.264 4.408 4.527 0.242 0.000 0.298 543 F C 2.526 178.212 175.800 -0.190 0.000 1.104 543 F CA 1.947 59.878 58.000 -0.115 0.000 1.232 543 F CB -0.264 38.688 39.000 -0.081 0.000 0.987 543 F HN 0.027 nan 8.300 nan 0.000 0.475 544 R N 0.169 120.524 120.500 -0.241 0.000 2.096 544 R HA -0.080 4.405 4.340 0.241 0.000 0.235 544 R C 2.494 178.296 176.300 -0.831 0.000 1.127 544 R CA 1.165 56.948 56.100 -0.529 0.000 0.968 544 R CB -0.889 29.147 30.300 -0.440 0.000 0.861 544 R HN 0.398 nan 8.270 nan 0.000 0.440 545 A N 1.266 123.568 122.820 -0.865 0.000 1.877 545 A HA -0.234 4.231 4.320 0.241 0.000 0.216 545 A C 2.054 179.449 177.584 -0.315 0.000 1.186 545 A CA 1.363 53.066 52.037 -0.556 0.000 0.620 545 A CB -0.394 18.512 19.000 -0.156 0.000 0.822 545 A HN 0.335 nan 8.150 nan 0.000 0.443 546 Q N -1.267 118.355 119.800 -0.297 0.000 2.123 546 Q HA -0.095 4.390 4.340 0.241 0.000 0.199 546 Q C 2.324 178.144 176.000 -0.300 0.000 0.966 546 Q CA 0.822 56.479 55.803 -0.242 0.000 0.845 546 Q CB -0.118 28.498 28.738 -0.204 0.000 0.907 546 Q HN 0.370 nan 8.270 nan 0.000 0.439 547 R N 0.109 120.339 120.500 -0.451 0.000 2.081 547 R HA -0.061 4.424 4.340 0.241 0.000 0.235 547 R C 2.204 178.347 176.300 -0.262 0.000 1.131 547 R CA 1.453 57.303 56.100 -0.417 0.000 0.960 547 R CB -1.077 28.886 30.300 -0.561 0.000 0.856 547 R HN 0.289 nan 8.270 nan 0.000 0.436 548 T N 0.821 115.227 114.554 -0.246 0.000 2.746 548 T HA -0.151 4.344 4.350 0.241 0.000 0.267 548 T C 1.716 176.351 174.700 -0.109 0.000 1.039 548 T CA 1.447 63.460 62.100 -0.145 0.000 1.142 548 T CB -0.086 68.728 68.868 -0.090 0.000 0.866 548 T HN 0.420 nan 8.240 nan 0.000 0.444 549 E N 0.486 120.614 120.200 -0.119 0.000 2.077 549 E HA -0.125 4.370 4.350 0.241 0.000 0.193 549 E C 2.223 178.779 176.600 -0.074 0.000 0.989 549 E CA 0.926 57.277 56.400 -0.081 0.000 0.800 549 E CB -0.082 29.571 29.700 -0.079 0.000 0.746 549 E HN 0.244 nan 8.360 nan 0.000 0.452 550 V N 1.225 121.078 119.914 -0.102 0.000 2.295 550 V HA -0.284 3.980 4.120 0.241 0.000 0.246 550 V C 2.464 178.510 176.094 -0.080 0.000 1.049 550 V CA 1.862 64.111 62.300 -0.086 0.000 1.024 550 V CB -0.772 30.982 31.823 -0.114 0.000 0.648 550 V HN 0.456 nan 8.190 nan 0.000 0.447 551 A N 0.404 123.164 122.820 -0.099 0.000 1.883 551 A HA -0.154 4.310 4.320 0.241 0.000 0.217 551 A C 2.437 179.983 177.584 -0.063 0.000 1.186 551 A CA 2.127 54.110 52.037 -0.090 0.000 0.624 551 A CB -1.360 17.587 19.000 -0.089 0.000 0.822 551 A HN 0.547 nan 8.150 nan 0.000 0.444 552 G N -0.759 108.022 108.800 -0.032 0.000 2.440 552 G HA2 -0.275 3.829 3.960 0.241 0.000 0.218 552 G HA3 -0.275 3.829 3.960 0.241 0.000 0.218 552 G C 1.529 176.416 174.900 -0.021 0.000 1.154 552 G CA 1.727 46.836 45.100 0.016 0.000 0.767 552 G HN 0.468 nan 8.290 nan 0.000 0.552 553 M N 0.911 120.492 119.600 -0.032 0.000 2.067 553 M HA -0.013 4.611 4.480 0.241 0.000 0.260 553 M C 2.578 178.862 176.300 -0.027 0.000 1.069 553 M CA 2.211 57.492 55.300 -0.033 0.000 1.117 553 M CB -1.003 31.587 32.600 -0.017 0.000 1.334 553 M HN 0.135 nan 8.290 nan 0.000 0.407 554 T N 0.765 115.317 114.554 -0.002 0.000 2.652 554 T HA -0.154 4.341 4.350 0.241 0.000 0.267 554 T C 1.781 176.444 174.700 -0.061 0.000 1.039 554 T CA 1.991 64.122 62.100 0.052 0.000 1.153 554 T CB -0.808 68.091 68.868 0.053 0.000 0.863 554 T HN 0.581 nan 8.240 nan 0.000 0.428 555 A N 1.653 124.372 122.820 -0.169 0.000 1.883 555 A HA -0.224 4.240 4.320 0.241 0.000 0.217 555 A C 2.267 179.690 177.584 -0.268 0.000 1.186 555 A CA 2.288 54.107 52.037 -0.363 0.000 0.624 555 A CB -0.730 17.830 19.000 -0.733 0.000 0.822 555 A HN 0.691 nan 8.150 nan 0.000 0.444 556 Q N -0.528 119.188 119.800 -0.141 0.000 2.062 556 Q HA 0.097 4.581 4.340 0.241 0.000 0.196 556 Q C 1.841 177.791 176.000 -0.083 0.000 0.967 556 Q CA 1.703 57.463 55.803 -0.072 0.000 0.832 556 Q CB -0.613 28.103 28.738 -0.037 0.000 0.899 556 Q HN 0.535 nan 8.270 nan 0.000 0.442 557 I N 0.399 120.904 120.570 -0.108 0.000 2.546 557 I HA -0.141 4.174 4.170 0.241 0.000 0.255 557 I C 1.129 177.194 176.117 -0.086 0.000 1.163 557 I CA 0.814 62.001 61.300 -0.189 0.000 1.457 557 I CB 0.023 37.797 38.000 -0.377 0.000 1.092 557 I HN 0.312 nan 8.210 nan 0.000 0.434 558 N N 0.416 119.113 118.700 -0.005 0.000 2.405 558 N HA -0.003 4.882 4.740 0.241 0.000 0.175 558 N C 1.723 177.246 175.510 0.023 0.000 1.051 558 N CA 0.450 53.545 53.050 0.075 0.000 0.899 558 N CB 0.062 38.529 38.487 -0.033 0.000 1.000 558 N HN 0.370 nan 8.380 nan 0.000 0.451 559 R N 1.340 121.822 120.500 -0.031 0.000 2.073 559 R HA -0.023 4.461 4.340 0.241 0.000 0.229 559 R C 2.184 178.529 176.300 0.075 0.000 1.120 559 R CA 0.931 57.030 56.100 -0.003 0.000 0.967 559 R CB -0.059 30.219 30.300 -0.037 0.000 0.862 559 R HN 0.177 nan 8.270 nan 0.000 0.436 560 K N 1.102 121.533 120.400 0.052 0.000 2.032 560 K HA -0.192 4.272 4.320 0.241 0.000 0.209 560 K C 2.050 178.724 176.600 0.123 0.000 1.048 560 K CA 1.370 57.704 56.287 0.079 0.000 0.927 560 K CB -0.170 32.337 32.500 0.011 0.000 0.712 560 K HN 0.059 nan 8.250 nan 0.000 0.441 561 L N 1.398 122.713 121.223 0.154 0.000 2.046 561 L HA -0.144 4.341 4.340 0.241 0.000 0.208 561 L C 2.197 179.206 176.870 0.233 0.000 1.077 561 L CA 1.331 56.316 54.840 0.241 0.000 0.747 561 L CB -0.633 41.659 42.059 0.389 0.000 0.896 561 L HN 0.316 nan 8.230 nan 0.000 0.432 562 L N 0.116 121.474 121.223 0.225 0.000 1.989 562 L HA -0.199 4.286 4.340 0.241 0.000 0.211 562 L C 2.423 179.603 176.870 0.516 0.000 1.071 562 L CA 2.392 57.413 54.840 0.302 0.000 0.749 562 L CB -0.719 41.428 42.059 0.146 0.000 0.890 562 L HN 0.509 nan 8.230 nan 0.000 0.431 563 I N -3.446 117.367 120.570 0.406 0.000 2.394 563 I HA -0.199 4.115 4.170 0.241 0.000 0.251 563 I C 1.987 178.199 176.117 0.157 0.000 1.136 563 I CA 1.778 63.281 61.300 0.337 0.000 1.425 563 I CB -0.866 37.299 38.000 0.274 0.000 1.079 563 I HN 0.332 nan 8.210 nan 0.000 0.425 564 N N 1.238 120.034 118.700 0.160 0.000 2.188 564 N HA -0.107 4.778 4.740 0.241 0.000 0.184 564 N C 1.848 177.426 175.510 0.113 0.000 1.018 564 N CA 1.281 54.399 53.050 0.113 0.000 0.858 564 N CB -0.014 38.526 38.487 0.089 0.000 0.989 564 N HN 0.327 nan 8.380 nan 0.000 0.426 565 S N 0.962 116.757 115.700 0.158 0.000 2.447 565 S HA -0.062 4.553 4.470 0.241 0.000 0.233 565 S C 1.743 176.356 174.600 0.021 0.000 1.006 565 S CA 0.429 58.712 58.200 0.138 0.000 0.957 565 S CB -0.105 63.221 63.200 0.210 0.000 0.773 565 S HN 0.236 nan 8.310 nan 0.000 0.507 566 L N 1.977 123.137 121.223 -0.105 0.000 2.093 566 L HA 0.115 4.600 4.340 0.241 0.000 0.208 566 L C 2.309 179.011 176.870 -0.280 0.000 1.085 566 L CA 1.602 56.133 54.840 -0.514 0.000 0.755 566 L CB -1.095 40.294 42.059 -1.116 0.000 0.904 566 L HN 0.231 nan 8.230 nan 0.000 0.435 567 A N -0.602 122.150 122.820 -0.114 0.000 1.902 567 A HA -0.043 4.422 4.320 0.241 0.000 0.217 567 A C 2.317 179.937 177.584 0.060 0.000 1.181 567 A CA 1.476 53.510 52.037 -0.005 0.000 0.623 567 A CB -1.487 17.605 19.000 0.153 0.000 0.818 567 A HN 0.500 nan 8.150 nan 0.000 0.443 568 G N -0.720 108.132 108.800 0.088 0.000 2.408 568 G HA2 0.080 4.184 3.960 0.241 0.000 0.217 568 G HA3 0.080 4.184 3.960 0.241 0.000 0.217 568 G C 1.662 176.615 174.900 0.089 0.000 1.150 568 G CA 1.202 46.383 45.100 0.135 0.000 0.776 568 G HN 0.776 nan 8.290 nan 0.000 0.542 569 A N 0.623 123.402 122.820 -0.069 0.000 2.015 569 A HA 0.163 4.628 4.320 0.241 0.000 0.219 569 A C 2.291 179.891 177.584 0.027 0.000 1.163 569 A CA 0.817 52.726 52.037 -0.213 0.000 0.646 569 A CB -0.320 18.177 19.000 -0.838 0.000 0.806 569 A HN 0.350 nan 8.150 nan 0.000 0.448 570 L N -0.911 120.361 121.223 0.081 0.000 2.349 570 L HA -0.117 4.368 4.340 0.241 0.000 0.220 570 L C 2.159 179.040 176.870 0.019 0.000 1.130 570 L CA 0.886 55.830 54.840 0.173 0.000 0.791 570 L CB -0.223 41.846 42.059 0.016 0.000 0.918 570 L HN 0.497 nan 8.230 nan 0.000 0.444 571 G N -1.653 107.223 108.800 0.126 0.000 3.324 571 G HA2 -0.017 4.087 3.960 0.241 0.000 0.251 571 G HA3 -0.017 4.087 3.960 0.241 0.000 0.251 571 G C 0.170 175.362 174.900 0.487 0.000 1.072 571 G CA -0.276 44.924 45.100 0.167 0.000 0.787 571 G HN 0.144 nan 8.290 nan 0.000 0.537 572 N N 1.122 120.094 118.700 0.453 0.000 2.400 572 N HA 0.142 5.027 4.740 0.241 0.000 0.288 572 N C 1.557 177.114 175.510 0.078 0.000 1.024 572 N CA -0.341 52.881 53.050 0.286 0.000 0.894 572 N CB 2.425 41.062 38.487 0.251 0.000 1.173 572 N HN -0.040 nan 8.380 nan 0.000 0.487 573 V N 1.576 121.262 119.914 -0.380 0.000 2.913 573 V HA 0.003 4.267 4.120 0.241 0.000 0.260 573 V C 1.149 176.939 176.094 -0.506 0.000 1.098 573 V CA 0.809 62.543 62.300 -0.943 0.000 1.121 573 V CB -0.895 30.418 31.823 -0.850 0.000 0.714 573 V HN 0.637 nan 8.190 nan 0.000 0.487 574 W N -0.961 120.338 121.300 -0.002 0.000 3.256 574 W HA 0.410 5.215 4.660 0.241 0.000 0.269 574 W C 0.835 177.473 176.519 0.198 0.000 1.310 574 W CA -0.734 56.659 57.345 0.081 0.000 1.673 574 W CB 0.030 29.528 29.460 0.064 0.000 1.115 574 W HN 0.176 nan 8.180 nan 0.000 0.686 575 F N 1.672 121.746 119.950 0.207 0.000 2.410 575 F HA 0.261 4.930 4.527 0.237 0.000 0.348 575 F C 1.767 177.640 175.800 0.122 0.000 1.106 575 F CA -1.550 56.573 58.000 0.204 0.000 1.163 575 F CB 0.861 40.007 39.000 0.244 0.000 1.129 575 F HN -0.214 nan 8.300 nan 0.000 0.516 576 R N 3.373 123.611 120.500 -0.436 0.000 2.127 576 R HA -0.178 4.306 4.340 0.241 0.000 0.238 576 R C 0.228 175.992 176.300 -0.895 0.000 1.134 576 R CA 1.775 57.469 56.100 -0.676 0.000 0.975 576 R CB -0.196 29.557 30.300 -0.912 0.000 0.865 576 R HN 0.728 nan 8.270 nan 0.000 0.447 577 Y N -1.251 118.588 120.300 -0.768 0.000 2.720 577 Y HA 0.116 4.811 4.550 0.241 0.000 0.277 577 Y C -0.537 175.305 175.900 -0.095 0.000 1.144 577 Y CA -1.002 56.856 58.100 -0.404 0.000 1.221 577 Y CB -0.176 38.011 38.460 -0.455 0.000 1.163 577 Y HN 0.017 nan 8.280 nan 0.000 0.537 578 Y N 2.613 122.877 120.300 -0.059 0.000 2.805 578 Y HA 0.096 4.795 4.550 0.249 0.000 0.331 578 Y C -0.109 175.705 175.900 -0.143 0.000 1.241 578 Y CA 0.561 58.632 58.100 -0.049 0.000 1.546 578 Y CB 0.366 38.658 38.460 -0.280 0.000 1.248 578 Y HN 0.199 nan 8.280 nan 0.000 0.559 579 D N 6.446 126.426 120.400 -0.700 0.000 2.419 579 D HA 0.048 4.832 4.640 0.241 0.000 0.219 579 D C -0.319 175.603 176.300 -0.629 0.000 1.349 579 D CA -0.450 53.196 54.000 -0.590 0.000 0.964 579 D CB 1.047 41.721 40.800 -0.210 0.000 1.463 579 D HN 0.583 nan 8.370 nan 0.000 0.573 580 L N 3.369 124.147 121.223 -0.742 0.000 2.265 580 L HA 0.066 4.550 4.340 0.241 0.000 0.215 580 L C 2.339 178.991 176.870 -0.362 0.000 1.117 580 L CA 1.388 55.869 54.840 -0.597 0.000 0.782 580 L CB -0.349 41.432 42.059 -0.463 0.000 0.914 580 L HN 0.385 nan 8.230 nan 0.000 0.441 581 R N -0.990 119.356 120.500 -0.257 0.000 2.115 581 R HA -0.097 4.388 4.340 0.241 0.000 0.230 581 R C 1.743 177.979 176.300 -0.107 0.000 1.111 581 R CA 1.097 57.101 56.100 -0.159 0.000 0.976 581 R CB -0.223 29.997 30.300 -0.133 0.000 0.870 581 R HN 0.409 nan 8.270 nan 0.000 0.445 582 N N 0.485 119.110 118.700 -0.126 0.000 2.290 582 N HA -0.006 4.878 4.740 0.241 0.000 0.179 582 N C 1.560 176.976 175.510 -0.157 0.000 1.016 582 N CA 1.150 54.152 53.050 -0.081 0.000 0.871 582 N CB -0.160 38.292 38.487 -0.058 0.000 0.987 582 N HN 0.156 nan 8.380 nan 0.000 0.431 583 A N 0.608 123.279 122.820 -0.248 0.000 1.877 583 A HA -0.135 4.330 4.320 0.241 0.000 0.216 583 A C 2.302 179.791 177.584 -0.158 0.000 1.186 583 A CA 2.327 54.207 52.037 -0.261 0.000 0.620 583 A CB -1.185 17.472 19.000 -0.572 0.000 0.822 583 A HN 0.468 nan 8.150 nan 0.000 0.443 584 T N -2.806 111.648 114.554 -0.167 0.000 3.055 584 T HA 0.271 4.766 4.350 0.241 0.000 0.265 584 T C 1.751 176.431 174.700 -0.034 0.000 1.111 584 T CA 1.280 63.369 62.100 -0.018 0.000 1.118 584 T CB -0.264 68.611 68.868 0.011 0.000 0.909 584 T HN 0.497 nan 8.240 nan 0.000 0.501 585 A N 1.466 124.250 122.820 -0.061 0.000 1.930 585 A HA 0.188 4.652 4.320 0.241 0.000 0.217 585 A C 2.242 179.778 177.584 -0.081 0.000 1.175 585 A CA 1.075 53.097 52.037 -0.024 0.000 0.627 585 A CB -0.663 18.362 19.000 0.043 0.000 0.815 585 A HN 0.600 nan 8.150 nan 0.000 0.443 586 I N 0.156 120.611 120.570 -0.192 0.000 2.163 586 I HA -0.214 4.101 4.170 0.241 0.000 0.240 586 I C 2.894 178.795 176.117 -0.360 0.000 1.081 586 I CA 1.839 62.932 61.300 -0.345 0.000 1.353 586 I CB -0.710 36.998 38.000 -0.486 0.000 1.054 586 I HN 0.496 nan 8.210 nan 0.000 0.407 587 T N -2.240 112.153 114.554 -0.270 0.000 2.821 587 T HA -0.126 4.369 4.350 0.241 0.000 0.267 587 T C 1.789 176.500 174.700 0.020 0.000 1.046 587 T CA 1.820 63.838 62.100 -0.137 0.000 1.139 587 T CB -0.889 68.026 68.868 0.078 0.000 0.871 587 T HN 0.251 nan 8.240 nan 0.000 0.454 588 T N 1.118 115.694 114.554 0.037 0.000 2.812 588 T HA 0.107 4.602 4.350 0.241 0.000 0.264 588 T C 1.367 176.104 174.700 0.062 0.000 1.042 588 T CA 0.831 62.970 62.100 0.063 0.000 1.140 588 T CB -0.621 68.277 68.868 0.050 0.000 0.870 588 T HN 0.368 nan 8.240 nan 0.000 0.445 589 F N 2.284 122.183 119.950 -0.086 0.000 2.161 589 F HA -0.005 4.415 4.527 -0.178 0.000 0.300 589 F C 2.382 178.150 175.800 -0.053 0.000 1.089 589 F CA 1.272 59.213 58.000 -0.098 0.000 1.282 589 F CB -0.708 38.202 39.000 -0.151 0.000 1.010 589 F HN 0.188 nan 8.300 nan 0.000 0.485 590 G N -0.721 108.190 108.800 0.185 0.000 2.418 590 G HA2 -0.232 3.873 3.960 0.241 0.000 0.217 590 G HA3 -0.232 3.873 3.960 0.241 0.000 0.217 590 G C 1.499 176.494 174.900 0.158 0.000 1.158 590 G CA 0.670 45.892 45.100 0.203 0.000 0.771 590 G HN 0.410 nan 8.290 nan 0.000 0.545 591 Q N -0.665 119.211 119.800 0.128 0.000 2.084 591 Q HA -0.078 4.407 4.340 0.241 0.000 0.202 591 Q C 2.464 178.455 176.000 -0.016 0.000 0.978 591 Q CA 1.355 57.223 55.803 0.108 0.000 0.844 591 Q CB -0.252 28.551 28.738 0.108 0.000 0.898 591 Q HN 0.579 nan 8.270 nan 0.000 0.426 592 M N 0.271 119.832 119.600 -0.066 0.000 2.077 592 M HA -0.161 4.464 4.480 0.241 0.000 0.261 592 M C 2.188 178.468 176.300 -0.033 0.000 1.070 592 M CA 1.695 56.935 55.300 -0.099 0.000 1.125 592 M CB -0.188 32.283 32.600 -0.215 0.000 1.339 592 M HN 0.194 nan 8.290 nan 0.000 0.409 593 A N 1.032 123.796 122.820 -0.095 0.000 1.873 593 A HA -0.238 4.227 4.320 0.241 0.000 0.218 593 A C 2.181 179.956 177.584 0.318 0.000 1.193 593 A CA 1.986 54.113 52.037 0.150 0.000 0.629 593 A CB -1.373 17.687 19.000 0.100 0.000 0.826 593 A HN 0.671 nan 8.150 nan 0.000 0.447 594 L N -0.880 120.479 121.223 0.226 0.000 1.989 594 L HA -0.291 4.194 4.340 0.241 0.000 0.211 594 L C 2.827 179.780 176.870 0.138 0.000 1.071 594 L CA 2.340 57.315 54.840 0.224 0.000 0.749 594 L CB -0.464 41.746 42.059 0.252 0.000 0.890 594 L HN 0.560 nan 8.230 nan 0.000 0.431 595 Q N -1.376 118.437 119.800 0.021 0.000 2.187 595 Q HA -0.220 4.264 4.340 0.241 0.000 0.199 595 Q C 1.905 177.894 176.000 -0.019 0.000 0.957 595 Q CA 1.292 57.037 55.803 -0.097 0.000 0.857 595 Q CB -0.216 28.290 28.738 -0.387 0.000 0.929 595 Q HN 0.652 nan 8.270 nan 0.000 0.453 596 W N 1.058 122.273 121.300 -0.141 0.000 2.355 596 W HA -0.192 4.648 4.660 0.300 0.000 0.309 596 W C 1.583 177.974 176.519 -0.213 0.000 1.206 596 W CA 1.034 58.291 57.345 -0.148 0.000 1.284 596 W CB -0.170 29.226 29.460 -0.106 0.000 1.145 596 W HN 0.152 nan 8.180 nan 0.000 0.502 597 I N 1.412 122.019 120.570 0.062 0.000 2.761 597 I HA -0.175 4.140 4.170 0.241 0.000 0.261 597 I C 2.520 178.553 176.117 -0.140 0.000 1.198 597 I CA 1.641 62.829 61.300 -0.187 0.000 1.482 597 I CB -0.691 37.075 38.000 -0.389 0.000 1.100 597 I HN 0.073 nan 8.210 nan 0.000 0.445 598 E N 0.569 120.735 120.200 -0.057 0.000 2.051 598 E HA -0.300 4.195 4.350 0.241 0.000 0.192 598 E C 2.451 179.004 176.600 -0.079 0.000 0.991 598 E CA 1.093 57.472 56.400 -0.034 0.000 0.799 598 E CB -0.195 29.516 29.700 0.018 0.000 0.748 598 E HN 0.415 nan 8.360 nan 0.000 0.449 599 R N 0.426 120.840 120.500 -0.143 0.000 2.083 599 R HA -0.141 4.343 4.340 0.241 0.000 0.237 599 R C 2.275 178.443 176.300 -0.220 0.000 1.137 599 R CA 1.639 57.626 56.100 -0.189 0.000 0.951 599 R CB 0.021 30.152 30.300 -0.282 0.000 0.851 599 R HN 0.012 nan 8.270 nan 0.000 0.434 600 K N 0.054 120.269 120.400 -0.308 0.000 2.097 600 K HA -0.071 4.393 4.320 0.241 0.000 0.205 600 K C 2.064 178.570 176.600 -0.158 0.000 1.050 600 K CA 1.099 57.218 56.287 -0.279 0.000 0.938 600 K CB -0.166 32.122 32.500 -0.353 0.000 0.718 600 K HN 0.133 nan 8.250 nan 0.000 0.442 601 V N 2.409 122.235 119.914 -0.146 0.000 2.379 601 V HA -0.213 4.052 4.120 0.241 0.000 0.245 601 V C 1.964 178.041 176.094 -0.027 0.000 1.044 601 V CA 1.482 63.724 62.300 -0.097 0.000 1.036 601 V CB -0.490 31.253 31.823 -0.135 0.000 0.664 601 V HN 0.287 nan 8.190 nan 0.000 0.453 602 N N 0.411 119.117 118.700 0.010 0.000 2.043 602 N HA -0.195 4.689 4.740 0.241 0.000 0.193 602 N C 1.837 177.371 175.510 0.040 0.000 1.037 602 N CA 1.697 54.809 53.050 0.103 0.000 0.851 602 N CB -0.341 38.214 38.487 0.114 0.000 1.027 602 N HN 0.584 nan 8.380 nan 0.000 0.422 603 E N -0.410 119.778 120.200 -0.019 0.000 2.085 603 E HA -0.219 4.276 4.350 0.241 0.000 0.194 603 E C 1.779 178.355 176.600 -0.040 0.000 0.994 603 E CA 0.958 57.334 56.400 -0.039 0.000 0.801 603 E CB -0.213 29.436 29.700 -0.084 0.000 0.743 603 E HN 0.491 nan 8.360 nan 0.000 0.453 604 Y N 1.064 121.273 120.300 -0.151 0.000 2.163 604 Y HA -0.157 4.538 4.550 0.242 0.000 0.288 604 Y C 1.980 177.768 175.900 -0.186 0.000 1.136 604 Y CA 1.256 59.259 58.100 -0.160 0.000 1.147 604 Y CB -0.027 38.323 38.460 -0.183 0.000 0.987 604 Y HN -0.072 nan 8.280 nan 0.000 0.509 605 L N 0.333 121.335 121.223 -0.367 0.000 2.093 605 L HA -0.227 4.258 4.340 0.241 0.000 0.208 605 L C 2.262 178.777 176.870 -0.593 0.000 1.085 605 L CA 1.076 55.500 54.840 -0.693 0.000 0.755 605 L CB -0.658 40.716 42.059 -1.142 0.000 0.904 605 L HN 0.341 nan 8.230 nan 0.000 0.435 606 N N -0.018 118.533 118.700 -0.247 0.000 2.104 606 N HA -0.238 4.647 4.740 0.241 0.000 0.190 606 N C 1.770 177.229 175.510 -0.085 0.000 1.024 606 N CA 1.408 54.470 53.050 0.019 0.000 0.853 606 N CB -0.028 38.519 38.487 0.101 0.000 1.008 606 N HN 0.430 nan 8.380 nan 0.000 0.424 607 E N 0.512 120.608 120.200 -0.174 0.000 2.031 607 E HA -0.149 4.346 4.350 0.241 0.000 0.193 607 E C 2.092 178.565 176.600 -0.212 0.000 0.994 607 E CA 1.488 57.783 56.400 -0.174 0.000 0.800 607 E CB 0.139 29.728 29.700 -0.185 0.000 0.752 607 E HN 0.268 nan 8.360 nan 0.000 0.447 608 V N -0.950 118.743 119.914 -0.369 0.000 2.490 608 V HA -0.208 4.056 4.120 0.241 0.000 0.250 608 V C 2.155 178.171 176.094 -0.132 0.000 1.061 608 V CA 1.535 63.663 62.300 -0.287 0.000 1.064 608 V CB -0.827 30.756 31.823 -0.400 0.000 0.670 608 V HN 0.314 nan 8.190 nan 0.000 0.461 609 C N 1.448 120.683 119.300 -0.107 0.000 2.576 609 C HA 0.528 5.133 4.460 0.241 0.000 0.267 609 C C 2.136 177.129 174.990 0.005 0.000 1.364 609 C CA 0.272 59.286 59.018 -0.006 0.000 1.723 609 C CB -1.419 26.377 27.740 0.094 0.000 1.778 609 C HN 1.057 nan 8.230 nan 0.000 0.572 610 G N 1.876 110.661 108.800 -0.024 0.000 2.179 610 G HA2 -0.258 3.846 3.960 0.241 0.000 0.257 610 G HA3 -0.258 3.846 3.960 0.241 0.000 0.257 610 G C 0.251 175.155 174.900 0.007 0.000 1.010 610 G CA 0.969 46.061 45.100 -0.013 0.000 0.736 610 G HN 0.653 nan 8.290 nan 0.000 0.513 611 T N -3.452 111.120 114.554 0.029 0.000 2.864 611 T HA 0.773 5.267 4.350 0.241 0.000 0.276 611 T C -0.218 174.505 174.700 0.037 0.000 1.006 611 T CA 0.035 62.160 62.100 0.043 0.000 0.970 611 T CB 2.688 71.603 68.868 0.078 0.000 1.420 611 T HN 0.509 nan 8.240 nan 0.000 0.601 612 E N -1.386 118.838 120.200 0.040 0.000 2.311 612 E HA 0.463 4.958 4.350 0.241 0.000 0.281 612 E C 0.317 176.935 176.600 0.029 0.000 0.905 612 E CA -0.108 56.308 56.400 0.027 0.000 0.778 612 E CB 0.867 30.571 29.700 0.007 0.000 1.240 612 E HN 1.235 nan 8.360 nan 0.000 0.410 613 G N 3.496 112.317 108.800 0.036 0.000 2.162 613 G HA2 -0.342 3.763 3.960 0.241 0.000 0.260 613 G HA3 -0.342 3.763 3.960 0.241 0.000 0.260 613 G C 0.153 175.063 174.900 0.016 0.000 0.976 613 G CA 0.773 45.886 45.100 0.023 0.000 0.655 613 G HN 0.562 nan 8.290 nan 0.000 0.533 614 E N 0.550 120.766 120.200 0.027 0.000 2.338 614 E HA 0.594 5.088 4.350 0.241 0.000 0.272 614 E C 0.599 177.150 176.600 -0.081 0.000 1.029 614 E CA -0.004 56.341 56.400 -0.092 0.000 0.872 614 E CB 0.657 30.217 29.700 -0.234 0.000 1.015 614 E HN 0.808 nan 8.360 nan 0.000 0.417 615 A N 5.082 127.814 122.820 -0.146 0.000 2.316 615 A HA 0.295 4.759 4.320 0.241 0.000 0.311 615 A C -0.363 177.136 177.584 -0.142 0.000 1.339 615 A CA -0.478 51.527 52.037 -0.054 0.000 0.960 615 A CB -0.235 18.750 19.000 -0.025 0.000 1.152 615 A HN 0.797 nan 8.150 nan 0.000 0.547 616 F N 2.240 122.208 119.950 0.030 0.000 2.317 616 F HA 0.046 4.717 4.527 0.240 0.000 0.293 616 F C 1.141 176.966 175.800 0.041 0.000 1.085 616 F CA 0.541 58.571 58.000 0.048 0.000 1.390 616 F CB 0.151 39.187 39.000 0.059 0.000 1.077 616 F HN 0.281 nan 8.300 nan 0.000 0.517 617 V N 3.537 123.576 119.914 0.209 0.000 2.446 617 V HA -0.044 4.221 4.120 0.241 0.000 0.276 617 V C 0.868 176.974 176.094 0.021 0.000 1.030 617 V CA 0.068 62.434 62.300 0.111 0.000 1.033 617 V CB 0.609 32.486 31.823 0.091 0.000 0.993 617 V HN 0.275 nan 8.190 nan 0.000 0.477 618 L N 3.703 124.877 121.223 -0.083 0.000 2.556 618 L HA 0.563 5.048 4.340 0.241 0.000 0.226 618 L C 0.170 176.863 176.870 -0.295 0.000 1.089 618 L CA 0.487 55.172 54.840 -0.258 0.000 0.864 618 L CB -0.100 41.601 42.059 -0.597 0.000 1.067 618 L HN 0.529 nan 8.230 nan 0.000 0.477 619 Y N -0.587 119.500 120.300 -0.356 0.000 2.620 619 Y HA 0.632 5.330 4.550 0.246 0.000 0.331 619 Y C -0.831 175.074 175.900 0.008 0.000 1.173 619 Y CA -0.602 57.303 58.100 -0.326 0.000 1.076 619 Y CB 1.325 39.284 38.460 -0.836 0.000 1.336 619 Y HN 0.028 nan 8.280 nan 0.000 0.459 620 G N 2.626 110.944 108.800 -0.802 0.000 2.703 620 G HA2 0.461 4.565 3.960 0.241 0.000 0.294 620 G HA3 0.461 4.565 3.960 0.241 0.000 0.294 620 G C -2.678 171.814 174.900 -0.680 0.000 1.451 620 G CA -0.628 44.204 45.100 -0.446 0.000 0.869 620 G HN 0.493 nan 8.290 nan 0.000 0.516 621 D N 0.085 120.336 120.400 -0.247 0.000 2.616 621 D HA 0.510 5.294 4.640 0.241 0.000 0.238 621 D C 1.072 177.410 176.300 0.062 0.000 1.354 621 D CA 0.663 54.599 54.000 -0.108 0.000 0.970 621 D CB 1.265 42.091 40.800 0.042 0.000 1.369 621 D HN 0.529 nan 8.370 nan 0.000 0.585 622 T N 2.508 117.118 114.554 0.093 0.000 13.132 622 T HA -0.282 4.212 4.350 0.241 0.000 0.419 622 T C 0.632 175.444 174.700 0.187 0.000 1.442 622 T CA 1.934 64.125 62.100 0.152 0.000 2.366 622 T CB -1.102 67.821 68.868 0.092 0.000 2.813 622 T HN 0.662 nan 8.240 nan 0.000 0.650 623 D N 1.011 121.505 120.400 0.156 0.000 2.567 623 D HA 0.289 5.073 4.640 0.241 0.000 0.268 623 D C -0.005 176.395 176.300 0.166 0.000 1.448 623 D CA 0.624 54.724 54.000 0.167 0.000 0.811 623 D CB -0.041 40.837 40.800 0.130 0.000 1.192 623 D HN 0.736 nan 8.370 nan 0.000 0.488 624 S N 0.430 116.225 115.700 0.157 0.000 2.542 624 S HA 0.785 5.400 4.470 0.241 0.000 0.293 624 S C -0.121 174.551 174.600 0.119 0.000 1.089 624 S CA -0.880 57.402 58.200 0.136 0.000 0.961 624 S CB 1.935 65.239 63.200 0.173 0.000 1.062 624 S HN 0.346 nan 8.310 nan 0.000 0.483 625 I N -0.809 119.798 120.570 0.063 0.000 2.689 625 I HA 0.695 5.010 4.170 0.241 0.000 0.299 625 I C -1.926 174.150 176.117 -0.067 0.000 1.059 625 I CA -1.326 60.027 61.300 0.088 0.000 1.055 625 I CB 1.631 39.704 38.000 0.121 0.000 1.243 625 I HN 0.634 nan 8.210 nan 0.000 0.425 626 Y N 3.863 124.227 120.300 0.106 0.000 2.328 626 Y HA 0.637 5.331 4.550 0.240 0.000 0.336 626 Y C -0.350 175.582 175.900 0.053 0.000 0.960 626 Y CA -0.865 57.289 58.100 0.090 0.000 1.134 626 Y CB 2.173 40.618 38.460 -0.025 0.000 1.166 626 Y HN 0.312 nan 8.280 nan 0.000 0.464 627 V N 2.543 122.613 119.914 0.260 0.000 2.417 627 V HA 0.297 4.562 4.120 0.241 0.000 0.291 627 V C 0.075 176.333 176.094 0.273 0.000 1.024 627 V CA -1.011 61.453 62.300 0.273 0.000 0.861 627 V CB 1.800 33.843 31.823 0.366 0.000 0.985 627 V HN 0.792 nan 8.190 nan 0.000 0.436 628 S N 3.637 119.487 115.700 0.250 0.000 2.498 628 S HA 0.338 4.953 4.470 0.241 0.000 0.281 628 S C 0.977 175.767 174.600 0.318 0.000 1.265 628 S CA 0.158 58.521 58.200 0.273 0.000 1.071 628 S CB 0.683 64.023 63.200 0.234 0.000 0.894 628 S HN 1.057 nan 8.310 nan 0.000 0.491 629 A N 4.419 127.415 122.820 0.295 0.000 2.460 629 A HA 0.247 4.712 4.320 0.241 0.000 0.258 629 A C 1.270 178.948 177.584 0.158 0.000 1.300 629 A CA -0.188 51.981 52.037 0.221 0.000 0.913 629 A CB -0.136 18.991 19.000 0.212 0.000 1.031 629 A HN 0.791 nan 8.150 nan 0.000 0.512 630 D N 1.056 121.588 120.400 0.220 0.000 2.084 630 D HA -0.152 4.633 4.640 0.241 0.000 0.194 630 D C 1.780 178.130 176.300 0.084 0.000 0.990 630 D CA 1.432 55.547 54.000 0.192 0.000 0.826 630 D CB -0.078 40.835 40.800 0.188 0.000 0.971 630 D HN 0.438 nan 8.370 nan 0.000 0.453 631 K N 0.224 120.690 120.400 0.110 0.000 2.103 631 K HA -0.094 4.370 4.320 0.241 0.000 0.207 631 K C 2.089 178.712 176.600 0.038 0.000 1.048 631 K CA 0.624 56.964 56.287 0.089 0.000 0.930 631 K CB -0.017 32.583 32.500 0.168 0.000 0.716 631 K HN 0.151 nan 8.250 nan 0.000 0.444 632 I N 1.432 122.007 120.570 0.008 0.000 2.179 632 I HA -0.266 4.049 4.170 0.241 0.000 0.242 632 I C 2.328 178.460 176.117 0.025 0.000 1.088 632 I CA 1.324 62.582 61.300 -0.069 0.000 1.357 632 I CB -0.920 36.908 38.000 -0.287 0.000 1.051 632 I HN 0.123 nan 8.210 nan 0.000 0.409 633 I N 0.888 121.413 120.570 -0.075 0.000 2.202 633 I HA -0.242 4.073 4.170 0.241 0.000 0.242 633 I C 2.121 178.170 176.117 -0.113 0.000 1.091 633 I CA 1.512 62.702 61.300 -0.184 0.000 1.368 633 I CB -1.185 36.384 38.000 -0.719 0.000 1.058 633 I HN 0.197 nan 8.210 nan 0.000 0.410 634 D N 0.754 121.108 120.400 -0.077 0.000 2.264 634 D HA -0.119 4.665 4.640 0.241 0.000 0.208 634 D C 2.199 178.473 176.300 -0.044 0.000 0.966 634 D CA 0.784 54.759 54.000 -0.042 0.000 0.864 634 D CB 0.031 40.829 40.800 -0.003 0.000 0.933 634 D HN 0.310 nan 8.370 nan 0.000 0.499 635 K N 0.208 120.587 120.400 -0.036 0.000 2.057 635 K HA -0.083 4.381 4.320 0.241 0.000 0.206 635 K C 2.153 178.706 176.600 -0.079 0.000 1.050 635 K CA 1.049 57.316 56.287 -0.034 0.000 0.935 635 K CB 0.058 32.556 32.500 -0.004 0.000 0.715 635 K HN 0.130 nan 8.250 nan 0.000 0.439 636 V N -2.972 116.859 119.914 -0.138 0.000 2.591 636 V HA 0.154 4.418 4.120 0.241 0.000 0.249 636 V C 1.199 177.119 176.094 -0.290 0.000 1.053 636 V CA 1.736 63.880 62.300 -0.260 0.000 1.068 636 V CB 0.185 31.709 31.823 -0.498 0.000 0.689 636 V HN 0.465 nan 8.190 nan 0.000 0.462 637 G N -0.640 108.024 108.800 -0.226 0.000 3.714 637 G HA2 -0.089 4.016 3.960 0.241 0.000 0.146 637 G HA3 -0.089 4.016 3.960 0.241 0.000 0.146 637 G C 0.530 175.365 174.900 -0.107 0.000 2.286 637 G CA 0.866 45.860 45.100 -0.177 0.000 1.218 637 G HN 0.863 nan 8.290 nan 0.000 0.362 638 E N -1.607 118.527 120.200 -0.111 0.000 3.844 638 E HA -0.253 4.242 4.350 0.241 0.000 0.151 638 E C 1.689 178.344 176.600 0.091 0.000 0.710 638 E CA 2.123 58.588 56.400 0.107 0.000 2.859 638 E CB -1.677 28.057 29.700 0.057 0.000 1.374 638 E HN 1.145 nan 8.360 nan 0.000 0.714 639 S N 0.218 115.908 115.700 -0.017 0.000 2.522 639 S HA 0.019 4.634 4.470 0.241 0.000 0.227 639 S C 1.432 175.995 174.600 -0.062 0.000 0.986 639 S CA 0.684 58.879 58.200 -0.007 0.000 0.929 639 S CB 0.138 63.327 63.200 -0.018 0.000 0.769 639 S HN 0.203 nan 8.310 nan 0.000 0.529 640 K N 0.829 121.092 120.400 -0.228 0.000 2.486 640 K HA 0.235 4.700 4.320 0.241 0.000 0.194 640 K C -0.419 175.981 176.600 -0.334 0.000 1.033 640 K CA 0.054 56.139 56.287 -0.337 0.000 1.004 640 K CB -0.368 31.809 32.500 -0.539 0.000 0.798 640 K HN 0.506 nan 8.250 nan 0.000 0.495 641 F N 1.043 120.981 119.950 -0.021 0.000 2.411 641 F HA 0.251 4.923 4.527 0.241 0.000 0.350 641 F C 1.669 177.610 175.800 0.235 0.000 1.114 641 F CA -0.703 57.341 58.000 0.073 0.000 1.135 641 F CB 1.133 40.130 39.000 -0.006 0.000 1.120 641 F HN -0.229 nan 8.300 nan 0.000 0.495 642 R N 0.914 121.769 120.500 0.592 0.000 2.115 642 R HA -0.066 4.418 4.340 0.241 0.000 0.230 642 R C -0.525 175.896 176.300 0.201 0.000 1.111 642 R CA 1.355 57.607 56.100 0.254 0.000 0.976 642 R CB -0.287 30.068 30.300 0.091 0.000 0.870 642 R HN 0.798 nan 8.270 nan 0.000 0.445 643 D N -4.583 115.961 120.400 0.239 0.000 2.713 643 D HA 0.073 4.857 4.640 0.241 0.000 0.306 643 D C 0.139 176.446 176.300 0.012 0.000 1.299 643 D CA -0.680 53.386 54.000 0.111 0.000 0.823 643 D CB 0.406 41.228 40.800 0.037 0.000 1.353 643 D HN -0.315 nan 8.370 nan 0.000 0.447 644 T N -0.491 113.951 114.554 -0.187 0.000 2.684 644 T HA -0.166 4.328 4.350 0.241 0.000 0.267 644 T C 1.440 175.510 174.700 -1.049 0.000 1.036 644 T CA 1.986 63.675 62.100 -0.685 0.000 1.148 644 T CB -0.592 67.717 68.868 -0.932 0.000 0.863 644 T HN 0.542 nan 8.240 nan 0.000 0.436 645 N N 0.301 118.655 118.700 -0.576 0.000 2.289 645 N HA -0.126 4.758 4.740 0.241 0.000 0.184 645 N C 1.651 177.021 175.510 -0.234 0.000 1.016 645 N CA 1.173 53.977 53.050 -0.410 0.000 0.872 645 N CB -0.240 38.139 38.487 -0.180 0.000 0.973 645 N HN 0.625 nan 8.380 nan 0.000 0.433 646 H N -0.936 117.999 119.070 -0.225 0.000 2.321 646 H HA -0.139 4.561 4.556 0.241 0.000 0.300 646 H C 1.801 177.083 175.328 -0.076 0.000 1.087 646 H CA 1.617 57.658 56.048 -0.013 0.000 1.319 646 H CB -0.201 29.670 29.762 0.182 0.000 1.379 646 H HN 0.557 nan 8.280 nan 0.000 0.501 647 W N 0.520 121.488 121.300 -0.553 0.000 2.467 647 W HA -0.019 4.785 4.660 0.240 0.000 0.275 647 W C 1.385 177.694 176.519 -0.350 0.000 1.239 647 W CA 0.576 57.300 57.345 -1.035 0.000 1.266 647 W CB -0.929 27.530 29.460 -1.668 0.000 1.112 647 W HN -0.002 nan 8.180 nan 0.000 0.576 648 V N 2.335 121.825 119.914 -0.706 0.000 2.295 648 V HA -0.305 3.960 4.120 0.241 0.000 0.246 648 V C 2.404 178.438 176.094 -0.100 0.000 1.049 648 V CA 2.528 64.538 62.300 -0.483 0.000 1.024 648 V CB -0.996 30.405 31.823 -0.703 0.000 0.648 648 V HN -0.008 nan 8.190 nan 0.000 0.447 649 D N -0.502 119.863 120.400 -0.059 0.000 2.133 649 D HA -0.219 4.565 4.640 0.241 0.000 0.195 649 D C 1.906 178.306 176.300 0.168 0.000 0.997 649 D CA 1.602 55.647 54.000 0.074 0.000 0.840 649 D CB -0.264 40.619 40.800 0.138 0.000 0.947 649 D HN 0.464 nan 8.370 nan 0.000 0.452 650 F N 1.303 121.306 119.950 0.088 0.000 2.075 650 F HA -0.128 4.544 4.527 0.242 0.000 0.297 650 F C 2.233 178.138 175.800 0.176 0.000 1.113 650 F CA 1.183 59.278 58.000 0.158 0.000 1.218 650 F CB -0.422 38.705 39.000 0.212 0.000 0.984 650 F HN -0.110 nan 8.300 nan 0.000 0.472 651 L N 0.104 121.385 121.223 0.096 0.000 2.083 651 L HA -0.209 4.275 4.340 0.241 0.000 0.209 651 L C 2.174 179.098 176.870 0.089 0.000 1.083 651 L CA 1.842 56.716 54.840 0.057 0.000 0.752 651 L CB -0.988 41.213 42.059 0.237 0.000 0.899 651 L HN 0.242 nan 8.230 nan 0.000 0.433 652 D N 0.472 120.914 120.400 0.071 0.000 2.092 652 D HA -0.267 4.518 4.640 0.241 0.000 0.193 652 D C 2.238 178.565 176.300 0.046 0.000 0.994 652 D CA 1.524 55.553 54.000 0.049 0.000 0.828 652 D CB 0.073 40.889 40.800 0.027 0.000 0.963 652 D HN 0.062 nan 8.370 nan 0.000 0.450 653 K N -1.094 119.328 120.400 0.036 0.000 2.057 653 K HA -0.176 4.289 4.320 0.241 0.000 0.207 653 K C 2.141 178.745 176.600 0.007 0.000 1.049 653 K CA 1.080 57.382 56.287 0.024 0.000 0.931 653 K CB -0.424 32.105 32.500 0.049 0.000 0.714 653 K HN 0.234 nan 8.250 nan 0.000 0.440 654 F N 1.040 120.878 119.950 -0.187 0.000 2.102 654 F HA -0.204 4.467 4.527 0.241 0.000 0.298 654 F C 2.065 177.856 175.800 -0.016 0.000 1.105 654 F CA 1.689 59.587 58.000 -0.169 0.000 1.239 654 F CB -0.323 38.486 39.000 -0.320 0.000 0.991 654 F HN 0.099 nan 8.300 nan 0.000 0.474 655 A N 0.336 123.253 122.820 0.162 0.000 1.902 655 A HA -0.209 4.256 4.320 0.241 0.000 0.217 655 A C 2.332 179.966 177.584 0.084 0.000 1.181 655 A CA 1.805 53.976 52.037 0.223 0.000 0.623 655 A CB -0.826 18.366 19.000 0.320 0.000 0.818 655 A HN 0.484 nan 8.150 nan 0.000 0.443 656 R N -0.330 120.189 120.500 0.033 0.000 2.062 656 R HA -0.080 4.405 4.340 0.241 0.000 0.229 656 R C 1.835 178.102 176.300 -0.056 0.000 1.128 656 R CA 1.622 57.725 56.100 0.006 0.000 0.960 656 R CB -0.178 30.126 30.300 0.006 0.000 0.855 656 R HN 0.645 nan 8.270 nan 0.000 0.432 657 E N -1.076 119.068 120.200 -0.093 0.000 2.385 657 E HA -0.054 4.441 4.350 0.241 0.000 0.194 657 E C 1.694 178.180 176.600 -0.189 0.000 1.013 657 E CA 0.401 56.736 56.400 -0.110 0.000 0.866 657 E CB 0.419 30.077 29.700 -0.070 0.000 0.832 657 E HN 0.079 nan 8.360 nan 0.000 0.500 658 R N -0.285 120.017 120.500 -0.330 0.000 2.125 658 R HA 0.287 4.772 4.340 0.241 0.000 0.195 658 R C 2.007 177.996 176.300 -0.517 0.000 1.138 658 R CA 0.671 56.503 56.100 -0.447 0.000 1.123 658 R CB -0.002 29.775 30.300 -0.873 0.000 1.049 658 R HN 0.008 nan 8.270 nan 0.000 0.503 659 M N 0.080 119.384 119.600 -0.493 0.000 2.160 659 M HA -0.015 4.610 4.480 0.241 0.000 0.264 659 M C 1.656 177.716 176.300 -0.399 0.000 1.073 659 M CA 1.584 56.607 55.300 -0.461 0.000 1.142 659 M CB -0.156 32.267 32.600 -0.295 0.000 1.358 659 M HN 0.122 nan 8.290 nan 0.000 0.422 660 E N 0.080 120.162 120.200 -0.196 0.000 2.085 660 E HA -0.187 4.308 4.350 0.241 0.000 0.194 660 E C -0.831 175.689 176.600 -0.132 0.000 0.994 660 E CA 1.255 57.598 56.400 -0.096 0.000 0.801 660 E CB -0.957 28.762 29.700 0.031 0.000 0.743 660 E HN 0.380 nan 8.360 nan 0.000 0.453 661 P HA -0.120 nan 4.420 nan 0.000 0.217 661 P C 1.018 178.174 177.300 -0.240 0.000 1.151 661 P CA 1.592 64.592 63.100 -0.166 0.000 0.828 661 P CB 0.032 31.634 31.700 -0.163 0.000 0.788 662 A N -0.433 122.120 122.820 -0.445 0.000 1.908 662 A HA -0.189 4.276 4.320 0.241 0.000 0.218 662 A C 2.211 179.587 177.584 -0.346 0.000 1.181 662 A CA 1.508 53.215 52.037 -0.550 0.000 0.627 662 A CB -1.677 16.599 19.000 -1.207 0.000 0.818 662 A HN 0.112 nan 8.150 nan 0.000 0.445 663 I N -0.190 120.194 120.570 -0.309 0.000 2.226 663 I HA -0.239 4.076 4.170 0.241 0.000 0.245 663 I C 1.914 178.022 176.117 -0.015 0.000 1.100 663 I CA 1.426 62.609 61.300 -0.195 0.000 1.374 663 I CB -0.447 37.453 38.000 -0.166 0.000 1.057 663 I HN 0.249 nan 8.210 nan 0.000 0.413 664 D N 0.833 121.252 120.400 0.032 0.000 2.092 664 D HA -0.166 4.619 4.640 0.241 0.000 0.193 664 D C 2.331 178.667 176.300 0.060 0.000 0.994 664 D CA 1.278 55.361 54.000 0.137 0.000 0.828 664 D CB -0.286 40.573 40.800 0.099 0.000 0.963 664 D HN 0.257 nan 8.370 nan 0.000 0.450 665 R N 0.273 120.759 120.500 -0.025 0.000 2.091 665 R HA -0.085 4.400 4.340 0.241 0.000 0.238 665 R C 2.453 178.756 176.300 0.005 0.000 1.136 665 R CA 1.329 57.409 56.100 -0.034 0.000 0.959 665 R CB -0.723 29.539 30.300 -0.063 0.000 0.856 665 R HN 0.198 nan 8.270 nan 0.000 0.437 666 G N 0.681 109.473 108.800 -0.012 0.000 2.476 666 G HA2 -0.266 3.839 3.960 0.241 0.000 0.218 666 G HA3 -0.266 3.839 3.960 0.241 0.000 0.218 666 G C 1.086 176.139 174.900 0.254 0.000 1.164 666 G CA 0.730 45.872 45.100 0.069 0.000 0.768 666 G HN 0.169 nan 8.290 nan 0.000 0.560 667 F N 0.830 120.868 119.950 0.147 0.000 2.259 667 F HA 0.198 4.860 4.527 0.226 0.000 0.298 667 F C 2.850 178.561 175.800 -0.148 0.000 1.088 667 F CA 0.527 58.547 58.000 0.033 0.000 1.358 667 F CB -0.264 38.826 39.000 0.150 0.000 1.040 667 F HN 0.010 nan 8.300 nan 0.000 0.505 668 R N 0.005 120.444 120.500 -0.102 0.000 2.096 668 R HA -0.190 4.294 4.340 0.241 0.000 0.235 668 R C 2.163 178.427 176.300 -0.060 0.000 1.127 668 R CA 1.566 57.503 56.100 -0.272 0.000 0.968 668 R CB -0.486 29.653 30.300 -0.267 0.000 0.861 668 R HN 0.343 nan 8.270 nan 0.000 0.440 669 E N 0.757 120.984 120.200 0.045 0.000 2.106 669 E HA -0.214 4.281 4.350 0.241 0.000 0.192 669 E C 2.004 178.642 176.600 0.063 0.000 0.984 669 E CA 0.953 57.423 56.400 0.117 0.000 0.806 669 E CB 0.025 29.865 29.700 0.234 0.000 0.750 669 E HN 0.240 nan 8.360 nan 0.000 0.458 670 M N 0.257 119.778 119.600 -0.132 0.000 2.117 670 M HA -0.186 4.438 4.480 0.241 0.000 0.262 670 M C 2.549 178.720 176.300 -0.215 0.000 1.065 670 M CA 1.425 56.348 55.300 -0.628 0.000 1.114 670 M CB -0.278 31.648 32.600 -1.124 0.000 1.361 670 M HN 0.371 nan 8.290 nan 0.000 0.408 671 C N 0.733 119.995 119.300 -0.064 0.000 2.413 671 C HA -0.189 4.416 4.460 0.241 0.000 0.276 671 C C 2.541 177.544 174.990 0.021 0.000 1.236 671 C CA 1.974 61.004 59.018 0.020 0.000 1.735 671 C CB -0.945 26.825 27.740 0.050 0.000 2.031 671 C HN 0.724 nan 8.230 nan 0.000 0.474 672 E N -0.718 119.499 120.200 0.028 0.000 2.077 672 E HA -0.240 4.255 4.350 0.241 0.000 0.193 672 E C 2.015 178.674 176.600 0.100 0.000 0.989 672 E CA 1.727 58.158 56.400 0.052 0.000 0.800 672 E CB -0.759 28.973 29.700 0.053 0.000 0.746 672 E HN 0.736 nan 8.360 nan 0.000 0.452 673 Y N 0.315 120.579 120.300 -0.059 0.000 2.128 673 Y HA -0.120 4.611 4.550 0.302 0.000 0.284 673 Y C 1.779 177.631 175.900 -0.080 0.000 1.154 673 Y CA 1.557 59.625 58.100 -0.053 0.000 1.149 673 Y CB -0.141 38.267 38.460 -0.086 0.000 0.976 673 Y HN 0.130 nan 8.280 nan 0.000 0.505 674 M N 0.276 119.813 119.600 -0.106 0.000 2.561 674 M HA 0.020 4.644 4.480 0.241 0.000 0.238 674 M C 0.605 176.858 176.300 -0.079 0.000 1.131 674 M CA 0.514 55.713 55.300 -0.169 0.000 1.046 674 M CB -1.613 30.957 32.600 -0.050 0.000 1.532 674 M HN 0.349 nan 8.290 nan 0.000 0.497 675 N N 2.593 121.270 118.700 -0.038 0.000 2.714 675 N HA -0.216 4.669 4.740 0.241 0.000 0.252 675 N C -0.841 174.668 175.510 -0.003 0.000 1.014 675 N CA 0.390 53.428 53.050 -0.020 0.000 0.735 675 N CB -1.277 37.182 38.487 -0.046 0.000 0.924 675 N HN 0.528 nan 8.380 nan 0.000 0.540 676 N N 0.148 118.852 118.700 0.006 0.000 2.381 676 N HA 0.082 4.966 4.740 0.241 0.000 0.254 676 N C 1.221 176.724 175.510 -0.013 0.000 1.264 676 N CA -0.280 52.764 53.050 -0.010 0.000 0.942 676 N CB 0.574 39.045 38.487 -0.026 0.000 1.190 676 N HN 0.247 nan 8.380 nan 0.000 0.495 677 K N 0.274 120.651 120.400 -0.038 0.000 2.062 677 K HA -0.082 4.382 4.320 0.241 0.000 0.205 677 K C 0.056 176.641 176.600 -0.025 0.000 1.051 677 K CA 1.282 57.553 56.287 -0.027 0.000 0.941 677 K CB 0.223 32.696 32.500 -0.045 0.000 0.719 677 K HN 0.545 nan 8.250 nan 0.000 0.440 678 Q N -0.112 119.657 119.800 -0.052 0.000 2.295 678 Q HA 0.033 4.518 4.340 0.241 0.000 0.268 678 Q C -1.770 174.203 176.000 -0.045 0.000 1.010 678 Q CA -0.670 55.113 55.803 -0.034 0.000 0.856 678 Q CB 1.380 30.078 28.738 -0.066 0.000 1.349 678 Q HN 0.337 nan 8.270 nan 0.000 0.412 679 H N 5.927 124.960 119.070 -0.061 0.000 3.017 679 H HA 0.181 4.877 4.556 0.233 0.000 0.276 679 H C -0.585 174.600 175.328 -0.239 0.000 1.062 679 H CA 0.465 56.463 56.048 -0.083 0.000 1.486 679 H CB 0.468 30.254 29.762 0.039 0.000 1.507 679 H HN 0.657 nan 8.280 nan 0.000 0.508 680 L N 5.892 126.606 121.223 -0.848 0.000 3.429 680 L HA 0.167 4.652 4.340 0.241 0.000 0.311 680 L C -0.273 175.729 176.870 -1.448 0.000 1.274 680 L CA -0.162 53.818 54.840 -1.433 0.000 1.037 680 L CB 0.558 42.108 42.059 -0.849 0.000 1.433 680 L HN 0.607 nan 8.230 nan 0.000 0.614 681 M N 1.507 120.494 119.600 -1.021 0.000 2.435 681 M HA 0.308 4.933 4.480 0.241 0.000 0.344 681 M C -1.094 174.969 176.300 -0.395 0.000 1.329 681 M CA 0.121 54.969 55.300 -0.753 0.000 1.320 681 M CB -0.285 31.696 32.600 -1.032 0.000 1.309 681 M HN -0.113 nan 8.290 nan 0.000 0.451 682 F N 3.618 123.442 119.950 -0.211 0.000 2.325 682 F HA 0.489 5.168 4.527 0.254 0.000 0.369 682 F C 0.259 176.081 175.800 0.036 0.000 1.095 682 F CA -1.196 56.772 58.000 -0.053 0.000 1.082 682 F CB 0.755 39.716 39.000 -0.065 0.000 1.289 682 F HN 0.452 nan 8.300 nan 0.000 0.462 683 M N 4.616 124.412 119.600 0.327 0.000 2.066 683 M HA 0.421 5.045 4.480 0.241 0.000 0.340 683 M C -1.373 175.107 176.300 0.300 0.000 1.053 683 M CA -0.175 55.311 55.300 0.311 0.000 0.983 683 M CB 0.491 33.345 32.600 0.424 0.000 1.520 683 M HN 0.367 nan 8.290 nan 0.000 0.428 684 D N 3.557 124.110 120.400 0.255 0.000 2.272 684 D HA 0.328 5.113 4.640 0.241 0.000 0.247 684 D C -0.448 175.977 176.300 0.208 0.000 0.990 684 D CA -0.454 53.680 54.000 0.223 0.000 0.931 684 D CB 1.379 42.249 40.800 0.116 0.000 1.195 684 D HN 0.550 nan 8.370 nan 0.000 0.477 685 R N 1.407 121.965 120.500 0.097 0.000 2.522 685 R HA -0.038 4.447 4.340 0.241 0.000 0.284 685 R C 0.517 176.678 176.300 -0.232 0.000 1.032 685 R CA 0.611 56.479 56.100 -0.387 0.000 1.049 685 R CB 0.684 30.759 30.300 -0.375 0.000 0.956 685 R HN 0.651 nan 8.270 nan 0.000 0.422 686 E N 2.587 122.608 120.200 -0.299 0.000 2.184 686 E HA 0.225 4.719 4.350 0.241 0.000 0.194 686 E C -0.484 176.054 176.600 -0.103 0.000 0.978 686 E CA 0.094 56.412 56.400 -0.136 0.000 0.998 686 E CB 0.343 29.992 29.700 -0.085 0.000 1.240 686 E HN 0.687 nan 8.360 nan 0.000 0.492 687 A N 0.880 123.646 122.820 -0.090 0.000 2.306 687 A HA 0.620 5.084 4.320 0.241 0.000 0.330 687 A C -0.724 176.891 177.584 0.052 0.000 1.146 687 A CA -0.469 51.588 52.037 0.034 0.000 0.827 687 A CB 0.665 19.756 19.000 0.151 0.000 1.178 687 A HN 0.366 nan 8.150 nan 0.000 0.490 688 I N 1.405 122.066 120.570 0.152 0.000 2.410 688 I HA 0.548 4.862 4.170 0.241 0.000 0.286 688 I C 0.261 176.638 176.117 0.432 0.000 1.009 688 I CA -0.059 61.401 61.300 0.266 0.000 1.111 688 I CB 1.761 39.898 38.000 0.228 0.000 1.262 688 I HN 0.730 nan 8.210 nan 0.000 0.443 689 A N 4.598 127.719 122.820 0.503 0.000 2.380 689 A HA 1.032 5.497 4.320 0.241 0.000 0.315 689 A C -0.272 177.722 177.584 0.683 0.000 1.101 689 A CA -0.514 51.847 52.037 0.541 0.000 0.771 689 A CB 1.868 21.085 19.000 0.361 0.000 1.287 689 A HN 0.858 nan 8.150 nan 0.000 0.436 690 G N 0.345 109.571 108.800 0.710 0.000 2.325 690 G HA2 0.550 4.654 3.960 0.241 0.000 0.297 690 G HA3 0.550 4.654 3.960 0.241 0.000 0.297 690 G C -3.593 171.675 174.900 0.614 0.000 1.448 690 G CA -0.563 44.820 45.100 0.472 0.000 0.838 690 G HN 0.603 nan 8.290 nan 0.000 0.579 691 P HA 0.393 nan 4.420 nan 0.000 0.276 691 P C -2.742 174.912 177.300 0.589 0.000 1.244 691 P CA -1.474 61.835 63.100 0.348 0.000 0.801 691 P CB 0.442 32.202 31.700 0.099 0.000 1.006 692 P HA 0.015 nan 4.420 nan 0.000 0.264 692 P C 0.304 177.805 177.300 0.336 0.000 1.183 692 P CA 0.325 63.727 63.100 0.503 0.000 0.763 692 P CB 0.212 32.175 31.700 0.439 0.000 0.807 693 L N 3.197 124.610 121.223 0.316 0.000 2.540 693 L HA 0.057 4.541 4.340 0.241 0.000 0.276 693 L C 1.483 178.467 176.870 0.190 0.000 1.212 693 L CA 1.417 56.427 54.840 0.283 0.000 0.893 693 L CB -0.566 41.669 42.059 0.293 0.000 1.138 693 L HN 0.835 nan 8.230 nan 0.000 0.491 694 G N 2.435 111.330 108.800 0.157 0.000 2.184 694 G HA2 -0.306 3.799 3.960 0.241 0.000 0.264 694 G HA3 -0.306 3.799 3.960 0.241 0.000 0.264 694 G C 0.339 175.305 174.900 0.109 0.000 0.975 694 G CA 0.516 45.687 45.100 0.119 0.000 0.642 694 G HN 0.892 nan 8.290 nan 0.000 0.536 695 S N -0.984 114.792 115.700 0.126 0.000 2.713 695 S HA 0.691 5.305 4.470 0.241 0.000 0.277 695 S C 0.817 175.468 174.600 0.085 0.000 1.168 695 S CA 0.062 58.329 58.200 0.112 0.000 0.994 695 S CB 1.482 64.767 63.200 0.142 0.000 1.054 695 S HN 0.248 nan 8.310 nan 0.000 0.555 696 K N 0.187 120.631 120.400 0.074 0.000 2.397 696 K HA 0.233 4.698 4.320 0.241 0.000 0.202 696 K C 0.891 177.523 176.600 0.054 0.000 1.022 696 K CA -0.057 56.263 56.287 0.055 0.000 1.141 696 K CB 0.090 32.618 32.500 0.048 0.000 0.857 696 K HN 0.723 nan 8.250 nan 0.000 0.514 697 G N 1.425 110.268 108.800 0.072 0.000 2.544 697 G HA2 0.099 4.204 3.960 0.241 0.000 0.242 697 G HA3 0.099 4.204 3.960 0.241 0.000 0.242 697 G C 0.844 175.774 174.900 0.049 0.000 1.247 697 G CA -0.446 44.698 45.100 0.074 0.000 0.840 697 G HN 0.347 nan 8.290 nan 0.000 0.578 698 I N -0.452 120.153 120.570 0.059 0.000 3.728 698 I HA 0.353 4.667 4.170 0.241 0.000 0.307 698 I C 1.691 177.842 176.117 0.056 0.000 1.276 698 I CA 0.522 61.851 61.300 0.048 0.000 1.285 698 I CB 0.165 38.208 38.000 0.070 0.000 1.038 698 I HN 0.798 nan 8.210 nan 0.000 0.445 699 G N 1.266 110.111 108.800 0.076 0.000 2.990 699 G HA2 -0.191 3.913 3.960 0.241 0.000 0.225 699 G HA3 -0.191 3.913 3.960 0.241 0.000 0.225 699 G C 0.502 175.478 174.900 0.126 0.000 1.304 699 G CA -0.054 45.100 45.100 0.089 0.000 0.816 699 G HN 1.183 nan 8.290 nan 0.000 0.528 700 G N -1.053 107.851 108.800 0.174 0.000 2.576 700 G HA2 0.848 4.953 3.960 0.241 0.000 0.290 700 G HA3 0.848 4.953 3.960 0.241 0.000 0.290 700 G C -1.064 174.038 174.900 0.336 0.000 1.442 700 G CA 0.047 45.245 45.100 0.163 0.000 0.792 700 G HN 1.782 nan 8.290 nan 0.000 0.491 701 F N -2.092 117.930 119.950 0.120 0.000 2.688 701 F HA 0.771 5.443 4.527 0.242 0.000 0.308 701 F C -1.860 174.010 175.800 0.115 0.000 1.117 701 F CA -1.963 56.172 58.000 0.224 0.000 0.976 701 F CB 1.360 40.414 39.000 0.090 0.000 1.291 701 F HN 0.547 nan 8.300 nan 0.000 0.439 702 W N 2.712 124.211 121.300 0.333 0.000 2.632 702 W HA 0.353 5.157 4.660 0.241 0.000 0.328 702 W C 0.444 177.118 176.519 0.258 0.000 1.044 702 W CA -0.132 57.298 57.345 0.142 0.000 1.225 702 W CB 2.707 32.160 29.460 -0.012 0.000 1.396 702 W HN 0.902 nan 8.180 nan 0.000 0.499 703 T N -0.202 114.555 114.554 0.339 0.000 3.023 703 T HA 0.423 4.917 4.350 0.241 0.000 0.249 703 T C 0.597 175.430 174.700 0.221 0.000 1.050 703 T CA 0.796 63.068 62.100 0.287 0.000 1.088 703 T CB 0.966 70.001 68.868 0.278 0.000 0.946 703 T HN 0.556 nan 8.240 nan 0.000 0.480 704 G N 0.394 109.323 108.800 0.214 0.000 2.321 704 G HA2 0.374 4.479 3.960 0.241 0.000 0.296 704 G HA3 0.374 4.479 3.960 0.241 0.000 0.296 704 G C -1.852 173.152 174.900 0.174 0.000 1.287 704 G CA -1.222 43.985 45.100 0.178 0.000 0.846 704 G HN 0.283 nan 8.290 nan 0.000 0.508 705 K N 0.689 121.201 120.400 0.186 0.000 2.524 705 K HA 0.195 4.659 4.320 0.241 0.000 0.279 705 K C 0.367 177.092 176.600 0.209 0.000 0.993 705 K CA 0.908 57.352 56.287 0.262 0.000 1.030 705 K CB 0.260 32.890 32.500 0.216 0.000 0.891 705 K HN 0.632 nan 8.250 nan 0.000 0.488 706 K N 0.914 121.498 120.400 0.305 0.000 3.209 706 K HA -0.261 4.203 4.320 0.241 0.000 0.289 706 K C -0.577 176.047 176.600 0.041 0.000 1.191 706 K CA 1.066 57.485 56.287 0.219 0.000 0.851 706 K CB -0.796 31.795 32.500 0.153 0.000 1.242 706 K HN 0.545 nan 8.250 nan 0.000 0.480 707 R N 0.381 120.888 120.500 0.011 0.000 2.625 707 R HA 0.287 4.772 4.340 0.241 0.000 0.286 707 R C -1.296 174.808 176.300 -0.326 0.000 1.406 707 R CA -0.744 55.265 56.100 -0.153 0.000 1.052 707 R CB 0.868 31.158 30.300 -0.018 0.000 1.203 707 R HN 0.229 nan 8.270 nan 0.000 0.502 708 Y N -0.899 118.924 120.300 -0.794 0.000 2.677 708 Y HA 0.826 5.521 4.550 0.241 0.000 0.334 708 Y C -1.812 173.387 175.900 -1.168 0.000 1.196 708 Y CA -1.405 55.904 58.100 -1.318 0.000 1.059 708 Y CB 1.295 38.265 38.460 -2.484 0.000 1.315 708 Y HN 0.374 nan 8.280 nan 0.000 0.455 709 A N 2.284 124.354 122.820 -1.250 0.000 2.455 709 A HA 0.864 5.328 4.320 0.241 0.000 0.300 709 A C -2.056 175.144 177.584 -0.639 0.000 1.040 709 A CA -0.812 50.642 52.037 -0.971 0.000 0.697 709 A CB 1.397 19.720 19.000 -1.127 0.000 1.265 709 A HN 0.802 nan 8.150 nan 0.000 0.407 710 L N 1.414 122.429 121.223 -0.347 0.000 2.431 710 L HA 0.430 4.914 4.340 0.241 0.000 0.266 710 L C -0.602 176.212 176.870 -0.094 0.000 0.978 710 L CA -0.912 53.854 54.840 -0.124 0.000 0.822 710 L CB 2.506 44.581 42.059 0.028 0.000 1.310 710 L HN 0.786 nan 8.230 nan 0.000 0.409 711 N N 1.648 120.328 118.700 -0.033 0.000 2.437 711 N HA 0.384 5.269 4.740 0.241 0.000 0.243 711 N C -1.171 174.271 175.510 -0.114 0.000 1.041 711 N CA -0.164 52.816 53.050 -0.116 0.000 0.940 711 N CB 1.011 39.454 38.487 -0.073 0.000 1.133 711 N HN 0.255 nan 8.380 nan 0.000 0.506 712 V N 4.135 123.942 119.914 -0.179 0.000 2.483 712 V HA 0.299 4.563 4.120 0.241 0.000 0.295 712 V C 0.108 176.164 176.094 -0.065 0.000 1.035 712 V CA -0.484 61.819 62.300 0.005 0.000 0.896 712 V CB 1.379 33.286 31.823 0.140 0.000 0.986 712 V HN 0.790 nan 8.190 nan 0.000 0.447 713 W N 0.556 121.979 121.300 0.205 0.000 2.842 713 W HA 0.330 5.134 4.660 0.240 0.000 0.267 713 W C 0.637 177.184 176.519 0.045 0.000 1.219 713 W CA -0.109 57.327 57.345 0.151 0.000 1.458 713 W CB 0.732 30.165 29.460 -0.046 0.000 1.006 713 W HN 0.454 nan 8.180 nan 0.000 0.603 714 D N 0.551 121.051 120.400 0.167 0.000 2.855 714 D HA 0.244 5.028 4.640 0.241 0.000 0.241 714 D C -1.509 174.740 176.300 -0.084 0.000 1.277 714 D CA -0.397 53.544 54.000 -0.098 0.000 0.918 714 D CB 1.608 42.387 40.800 -0.035 0.000 1.462 714 D HN -0.195 nan 8.370 nan 0.000 0.559 715 M N 3.430 122.884 119.600 -0.244 0.000 2.085 715 M HA 0.254 4.878 4.480 0.241 0.000 0.309 715 M C -0.276 175.959 176.300 -0.108 0.000 0.947 715 M CA 0.097 55.348 55.300 -0.081 0.000 0.918 715 M CB 0.841 33.481 32.600 0.066 0.000 1.504 715 M HN 0.386 nan 8.290 nan 0.000 0.420 716 E N 3.297 123.455 120.200 -0.070 0.000 2.440 716 E HA -0.256 4.238 4.350 0.241 0.000 0.246 716 E C 0.752 177.305 176.600 -0.077 0.000 1.165 716 E CA 0.836 57.199 56.400 -0.061 0.000 0.726 716 E CB -1.992 27.685 29.700 -0.038 0.000 1.271 716 E HN 1.336 nan 8.360 nan 0.000 0.397 717 G N -0.845 107.897 108.800 -0.096 0.000 2.175 717 G HA2 -0.300 3.804 3.960 0.241 0.000 0.244 717 G HA3 -0.300 3.804 3.960 0.241 0.000 0.244 717 G C 0.316 175.138 174.900 -0.130 0.000 0.982 717 G CA 0.269 45.314 45.100 -0.092 0.000 0.641 717 G HN 0.264 nan 8.290 nan 0.000 0.527 718 T N 1.342 115.774 114.554 -0.202 0.000 2.739 718 T HA 0.495 4.990 4.350 0.241 0.000 0.298 718 T C 0.400 174.833 174.700 -0.444 0.000 0.929 718 T CA -0.217 61.707 62.100 -0.293 0.000 1.014 718 T CB 1.160 69.829 68.868 -0.332 0.000 0.914 718 T HN 0.422 nan 8.240 nan 0.000 0.509 719 R N 3.605 123.955 120.500 -0.251 0.000 2.248 719 R HA 0.233 4.718 4.340 0.241 0.000 0.337 719 R C -0.964 175.274 176.300 -0.103 0.000 1.085 719 R CA -0.462 55.536 56.100 -0.170 0.000 0.934 719 R CB -0.516 29.750 30.300 -0.056 0.000 1.034 719 R HN 0.452 nan 8.270 nan 0.000 0.465 720 Y N 2.347 122.688 120.300 0.068 0.000 2.397 720 Y HA 0.124 4.818 4.550 0.241 0.000 0.335 720 Y C 1.582 177.534 175.900 0.088 0.000 1.213 720 Y CA 0.319 58.450 58.100 0.052 0.000 1.391 720 Y CB 0.700 39.171 38.460 0.018 0.000 1.293 720 Y HN 0.752 nan 8.280 nan 0.000 0.557 721 A N 1.530 124.496 122.820 0.243 0.000 1.930 721 A HA -0.048 4.417 4.320 0.241 0.000 0.217 721 A C 0.572 178.317 177.584 0.267 0.000 1.175 721 A CA 1.234 53.389 52.037 0.197 0.000 0.627 721 A CB -0.132 18.914 19.000 0.077 0.000 0.815 721 A HN 0.660 nan 8.150 nan 0.000 0.443 722 E N -0.499 119.818 120.200 0.196 0.000 2.288 722 E HA 0.400 4.894 4.350 0.241 0.000 0.268 722 E C -2.901 173.653 176.600 -0.077 0.000 0.885 722 E CA -2.572 53.886 56.400 0.096 0.000 0.767 722 E CB 1.298 31.023 29.700 0.040 0.000 1.220 722 E HN 0.100 nan 8.360 nan 0.000 0.427 723 P HA 0.038 nan 4.420 nan 0.000 0.266 723 P C -0.512 176.482 177.300 -0.511 0.000 1.195 723 P CA 0.097 62.772 63.100 -0.708 0.000 0.768 723 P CB 0.881 31.790 31.700 -1.319 0.000 0.838 724 K N 2.783 122.862 120.400 -0.535 0.000 2.244 724 K HA 0.394 4.859 4.320 0.241 0.000 0.260 724 K C -0.397 175.999 176.600 -0.340 0.000 0.951 724 K CA -0.798 55.178 56.287 -0.518 0.000 0.826 724 K CB 0.733 32.710 32.500 -0.872 0.000 1.108 724 K HN 0.406 nan 8.250 nan 0.000 0.433 725 L N 4.459 125.515 121.223 -0.279 0.000 2.361 725 L HA 0.235 4.720 4.340 0.241 0.000 0.278 725 L C 0.343 177.091 176.870 -0.203 0.000 1.113 725 L CA -0.124 54.581 54.840 -0.225 0.000 0.849 725 L CB 0.482 42.419 42.059 -0.204 0.000 1.155 725 L HN 0.479 nan 8.230 nan 0.000 0.452 726 K N 5.812 126.107 120.400 -0.175 0.000 2.266 726 K HA 0.475 4.940 4.320 0.241 0.000 0.274 726 K C -0.906 175.517 176.600 -0.296 0.000 1.090 726 K CA -0.368 55.822 56.287 -0.162 0.000 0.925 726 K CB 0.460 32.934 32.500 -0.042 0.000 1.225 726 K HN 0.550 nan 8.250 nan 0.000 0.458 727 I N 5.634 126.005 120.570 -0.332 0.000 2.382 727 I HA 0.268 4.582 4.170 0.241 0.000 0.286 727 I C -0.597 175.228 176.117 -0.486 0.000 1.002 727 I CA -0.864 60.156 61.300 -0.467 0.000 1.135 727 I CB 1.544 39.321 38.000 -0.371 0.000 1.288 727 I HN 0.388 nan 8.210 nan 0.000 0.448 728 M N 4.296 123.437 119.600 -0.765 0.000 2.268 728 M HA 0.428 5.053 4.480 0.241 0.000 0.344 728 M C 1.064 177.046 176.300 -0.530 0.000 1.106 728 M CA -0.647 54.247 55.300 -0.676 0.000 1.010 728 M CB 0.649 32.644 32.600 -1.010 0.000 1.649 728 M HN 0.880 nan 8.290 nan 0.000 0.443 729 G N 2.510 111.140 108.800 -0.284 0.000 2.328 729 G HA2 -0.239 3.866 3.960 0.241 0.000 0.256 729 G HA3 -0.239 3.866 3.960 0.241 0.000 0.256 729 G C 0.243 175.071 174.900 -0.121 0.000 1.014 729 G CA 0.265 45.266 45.100 -0.165 0.000 0.620 729 G HN 0.597 nan 8.290 nan 0.000 0.530 730 L N -0.055 121.054 121.223 -0.190 0.000 2.474 730 L HA 0.400 4.884 4.340 0.241 0.000 0.259 730 L C 1.887 178.768 176.870 0.018 0.000 1.232 730 L CA -0.207 54.583 54.840 -0.083 0.000 0.821 730 L CB 0.135 41.995 42.059 -0.331 0.000 1.108 730 L HN 0.019 nan 8.230 nan 0.000 0.495 731 E N 0.133 120.441 120.200 0.181 0.000 2.204 731 E HA -0.169 4.325 4.350 0.241 0.000 0.195 731 E C 1.966 178.623 176.600 0.095 0.000 0.990 731 E CA 1.591 58.076 56.400 0.141 0.000 0.821 731 E CB -0.290 29.514 29.700 0.173 0.000 0.750 731 E HN 0.881 nan 8.360 nan 0.000 0.477 732 T N -1.030 113.576 114.554 0.087 0.000 2.822 732 T HA -0.199 4.296 4.350 0.241 0.000 0.270 732 T C 1.471 176.174 174.700 0.006 0.000 1.064 732 T CA 0.986 63.108 62.100 0.037 0.000 1.131 732 T CB -0.097 68.763 68.868 -0.014 0.000 0.858 732 T HN 0.014 nan 8.240 nan 0.000 0.483 733 Q N 0.679 120.466 119.800 -0.021 0.000 2.392 733 Q HA 0.310 4.795 4.340 0.241 0.000 0.203 733 Q C 0.310 176.308 176.000 -0.004 0.000 0.917 733 Q CA 0.462 56.248 55.803 -0.028 0.000 0.939 733 Q CB 0.166 28.860 28.738 -0.073 0.000 1.063 733 Q HN 0.599 nan 8.270 nan 0.000 0.516 734 K N 0.893 121.297 120.400 0.007 0.000 2.201 734 K HA 0.162 4.626 4.320 0.241 0.000 0.278 734 K C 0.974 177.575 176.600 0.002 0.000 1.027 734 K CA -0.009 56.280 56.287 0.003 0.000 0.909 734 K CB 1.215 33.718 32.500 0.006 0.000 1.062 734 K HN -0.020 nan 8.250 nan 0.000 0.465 735 S N 0.195 115.884 115.700 -0.017 0.000 2.555 735 S HA -0.119 4.496 4.470 0.241 0.000 0.230 735 S C 1.501 176.071 174.600 -0.050 0.000 0.978 735 S CA 1.031 59.208 58.200 -0.038 0.000 0.934 735 S CB -0.178 62.979 63.200 -0.070 0.000 0.766 735 S HN 0.584 nan 8.310 nan 0.000 0.533 736 S N 0.443 116.118 115.700 -0.041 0.000 2.496 736 S HA 0.086 4.700 4.470 0.241 0.000 0.224 736 S C 0.714 175.311 174.600 -0.005 0.000 0.996 736 S CA -0.067 58.105 58.200 -0.046 0.000 0.927 736 S CB -0.756 62.408 63.200 -0.059 0.000 0.774 736 S HN 0.411 nan 8.310 nan 0.000 0.524 737 T N 4.929 119.494 114.554 0.018 0.000 2.851 737 T HA 0.364 4.858 4.350 0.241 0.000 0.298 737 T C -2.641 172.100 174.700 0.068 0.000 0.977 737 T CA -1.050 61.081 62.100 0.053 0.000 1.126 737 T CB 0.867 69.775 68.868 0.066 0.000 0.916 737 T HN 0.145 nan 8.240 nan 0.000 0.529 738 P HA 0.047 nan 4.420 nan 0.000 0.266 738 P C 1.013 178.371 177.300 0.097 0.000 1.193 738 P CA -0.311 62.846 63.100 0.094 0.000 0.770 738 P CB 0.598 32.380 31.700 0.135 0.000 0.836 739 K N 2.648 123.095 120.400 0.079 0.000 2.020 739 K HA -0.185 4.279 4.320 0.241 0.000 0.212 739 K C 1.894 178.549 176.600 0.091 0.000 1.050 739 K CA 2.257 58.597 56.287 0.087 0.000 0.929 739 K CB -1.123 31.427 32.500 0.083 0.000 0.714 739 K HN 0.518 nan 8.250 nan 0.000 0.443 740 A N 0.615 123.498 122.820 0.105 0.000 1.972 740 A HA -0.097 4.368 4.320 0.241 0.000 0.219 740 A C 2.431 180.097 177.584 0.138 0.000 1.169 740 A CA 1.499 53.626 52.037 0.150 0.000 0.635 740 A CB -0.397 18.724 19.000 0.201 0.000 0.810 740 A HN 0.098 nan 8.150 nan 0.000 0.446 741 V N -0.317 119.698 119.914 0.168 0.000 2.591 741 V HA -0.238 4.027 4.120 0.241 0.000 0.249 741 V C 2.515 178.669 176.094 0.099 0.000 1.053 741 V CA 1.825 64.209 62.300 0.140 0.000 1.068 741 V CB -0.808 31.171 31.823 0.261 0.000 0.689 741 V HN 0.607 nan 8.190 nan 0.000 0.462 742 Q N 0.117 119.974 119.800 0.095 0.000 2.061 742 Q HA -0.279 4.205 4.340 0.241 0.000 0.204 742 Q C 2.331 178.357 176.000 0.043 0.000 0.984 742 Q CA 1.832 57.682 55.803 0.077 0.000 0.846 742 Q CB -0.194 28.587 28.738 0.071 0.000 0.902 742 Q HN 0.521 nan 8.270 nan 0.000 0.421 743 K N 0.222 120.635 120.400 0.022 0.000 2.097 743 K HA -0.087 4.377 4.320 0.241 0.000 0.205 743 K C 1.913 178.486 176.600 -0.045 0.000 1.050 743 K CA 1.145 57.429 56.287 -0.005 0.000 0.938 743 K CB -0.153 32.356 32.500 0.015 0.000 0.718 743 K HN 0.187 nan 8.250 nan 0.000 0.442 744 A N 0.754 123.490 122.820 -0.139 0.000 1.873 744 A HA -0.103 4.362 4.320 0.241 0.000 0.215 744 A C 2.083 179.712 177.584 0.074 0.000 1.186 744 A CA 1.202 53.077 52.037 -0.270 0.000 0.616 744 A CB -0.648 17.499 19.000 -1.421 0.000 0.823 744 A HN 0.169 nan 8.150 nan 0.000 0.442 745 L N -0.630 120.694 121.223 0.168 0.000 2.083 745 L HA -0.184 4.300 4.340 0.241 0.000 0.209 745 L C 2.623 179.587 176.870 0.157 0.000 1.083 745 L CA 1.807 56.808 54.840 0.267 0.000 0.752 745 L CB -0.361 41.885 42.059 0.311 0.000 0.899 745 L HN 0.450 nan 8.230 nan 0.000 0.433 746 K N 0.211 120.643 120.400 0.053 0.000 2.097 746 K HA -0.255 4.209 4.320 0.241 0.000 0.206 746 K C 2.073 178.632 176.600 -0.068 0.000 1.049 746 K CA 1.619 57.893 56.287 -0.022 0.000 0.933 746 K CB 0.112 32.583 32.500 -0.048 0.000 0.717 746 K HN 0.079 nan 8.250 nan 0.000 0.442 747 E N 0.389 120.513 120.200 -0.127 0.000 2.107 747 E HA -0.123 4.371 4.350 0.241 0.000 0.191 747 E C 1.752 178.205 176.600 -0.246 0.000 0.982 747 E CA 1.257 57.479 56.400 -0.297 0.000 0.809 747 E CB -0.340 28.985 29.700 -0.625 0.000 0.756 747 E HN 0.342 nan 8.360 nan 0.000 0.459 748 C N 0.034 119.307 119.300 -0.045 0.000 2.413 748 C HA -0.103 4.501 4.460 0.241 0.000 0.277 748 C C 2.593 177.641 174.990 0.098 0.000 1.228 748 C CA 0.912 60.006 59.018 0.127 0.000 1.731 748 C CB -1.024 26.871 27.740 0.259 0.000 2.042 748 C HN 0.484 nan 8.230 nan 0.000 0.468 749 I N 0.062 120.691 120.570 0.098 0.000 2.226 749 I HA -0.201 4.113 4.170 0.241 0.000 0.245 749 I C 2.849 178.988 176.117 0.038 0.000 1.100 749 I CA 1.388 62.749 61.300 0.101 0.000 1.374 749 I CB -0.602 37.413 38.000 0.026 0.000 1.057 749 I HN 0.326 nan 8.210 nan 0.000 0.413 750 R N 1.166 121.646 120.500 -0.033 0.000 2.094 750 R HA -0.214 4.271 4.340 0.241 0.000 0.239 750 R C 2.509 178.796 176.300 -0.022 0.000 1.137 750 R CA 1.846 57.910 56.100 -0.059 0.000 0.943 750 R CB -0.155 30.082 30.300 -0.104 0.000 0.850 750 R HN 0.277 nan 8.270 nan 0.000 0.433 751 R N -0.164 120.323 120.500 -0.021 0.000 2.073 751 R HA -0.111 4.374 4.340 0.241 0.000 0.234 751 R C 2.482 178.813 176.300 0.051 0.000 1.134 751 R CA 2.102 58.212 56.100 0.016 0.000 0.952 751 R CB -0.343 29.971 30.300 0.023 0.000 0.850 751 R HN 0.288 nan 8.270 nan 0.000 0.433 752 M N 0.468 120.108 119.600 0.067 0.000 2.088 752 M HA -0.248 4.377 4.480 0.241 0.000 0.256 752 M C 2.179 178.533 176.300 0.089 0.000 1.071 752 M CA 1.884 57.230 55.300 0.076 0.000 1.097 752 M CB -0.425 32.226 32.600 0.085 0.000 1.315 752 M HN 0.160 nan 8.290 nan 0.000 0.406 753 L N -1.274 120.005 121.223 0.094 0.000 2.209 753 L HA -0.115 4.369 4.340 0.241 0.000 0.207 753 L C 2.249 179.170 176.870 0.085 0.000 1.094 753 L CA 0.954 55.850 54.840 0.093 0.000 0.790 753 L CB -0.495 41.599 42.059 0.059 0.000 0.932 753 L HN 0.417 nan 8.230 nan 0.000 0.447 754 Q N -0.687 119.153 119.800 0.067 0.000 2.394 754 Q HA 0.007 4.492 4.340 0.241 0.000 0.218 754 Q C 1.327 177.385 176.000 0.097 0.000 0.907 754 Q CA 0.575 56.432 55.803 0.090 0.000 0.919 754 Q CB 0.651 29.416 28.738 0.045 0.000 1.051 754 Q HN 0.476 nan 8.270 nan 0.000 0.538 755 E N -0.814 119.430 120.200 0.074 0.000 2.414 755 E HA 0.266 4.760 4.350 0.241 0.000 0.208 755 E C 0.408 177.048 176.600 0.066 0.000 0.820 755 E CA 0.320 56.763 56.400 0.071 0.000 1.143 755 E CB 1.610 31.347 29.700 0.061 0.000 1.150 755 E HN 0.240 nan 8.360 nan 0.000 0.540 756 G N 1.595 110.433 108.800 0.062 0.000 2.422 756 G HA2 -0.255 3.850 3.960 0.241 0.000 0.607 756 G HA3 -0.255 3.850 3.960 0.241 0.000 0.607 756 G C 0.145 175.077 174.900 0.054 0.000 1.270 756 G CA -0.042 45.090 45.100 0.053 0.000 0.992 756 G HN 0.140 nan 8.290 nan 0.000 0.499 757 E N -0.234 119.990 120.200 0.040 0.000 2.072 757 E HA -0.076 4.419 4.350 0.241 0.000 0.191 757 E C 2.123 178.754 176.600 0.052 0.000 0.985 757 E CA 1.589 58.011 56.400 0.036 0.000 0.801 757 E CB -0.122 29.584 29.700 0.010 0.000 0.750 757 E HN 0.612 nan 8.360 nan 0.000 0.452 758 E N 0.148 120.378 120.200 0.051 0.000 2.085 758 E HA -0.193 4.301 4.350 0.241 0.000 0.194 758 E C 2.150 178.805 176.600 0.092 0.000 0.994 758 E CA 1.143 57.580 56.400 0.062 0.000 0.801 758 E CB -0.160 29.572 29.700 0.053 0.000 0.743 758 E HN 0.128 nan 8.360 nan 0.000 0.453 759 S N 0.786 116.541 115.700 0.092 0.000 2.368 759 S HA -0.140 4.474 4.470 0.241 0.000 0.225 759 S C 1.960 176.660 174.600 0.165 0.000 1.030 759 S CA 0.693 58.962 58.200 0.114 0.000 0.999 759 S CB -0.222 63.031 63.200 0.089 0.000 0.844 759 S HN 0.249 nan 8.310 nan 0.000 0.459 760 L N 1.009 122.326 121.223 0.157 0.000 1.971 760 L HA -0.221 4.263 4.340 0.241 0.000 0.215 760 L C 2.704 179.747 176.870 0.289 0.000 1.072 760 L CA 2.142 57.113 54.840 0.218 0.000 0.758 760 L CB -0.753 41.400 42.059 0.156 0.000 0.889 760 L HN 0.484 nan 8.230 nan 0.000 0.433 761 Q N -0.671 119.252 119.800 0.205 0.000 2.152 761 Q HA -0.309 4.175 4.340 0.241 0.000 0.206 761 Q C 2.047 178.202 176.000 0.258 0.000 0.985 761 Q CA 2.147 58.074 55.803 0.208 0.000 0.863 761 Q CB -0.131 28.668 28.738 0.102 0.000 0.904 761 Q HN 0.540 nan 8.270 nan 0.000 0.422 762 E N -0.264 120.065 120.200 0.215 0.000 2.077 762 E HA -0.236 4.259 4.350 0.241 0.000 0.193 762 E C 1.738 178.484 176.600 0.243 0.000 0.989 762 E CA 1.011 57.529 56.400 0.198 0.000 0.800 762 E CB -0.126 29.671 29.700 0.162 0.000 0.746 762 E HN 0.447 nan 8.360 nan 0.000 0.452 763 Y N -0.071 120.343 120.300 0.190 0.000 2.200 763 Y HA -0.224 4.471 4.550 0.241 0.000 0.290 763 Y C 2.036 178.100 175.900 0.272 0.000 1.137 763 Y CA 1.801 60.019 58.100 0.197 0.000 1.163 763 Y CB -0.389 38.175 38.460 0.174 0.000 0.988 763 Y HN 0.159 nan 8.280 nan 0.000 0.518 764 F N 1.478 121.554 119.950 0.210 0.000 2.063 764 F HA -0.321 4.350 4.527 0.241 0.000 0.298 764 F C 2.156 178.027 175.800 0.119 0.000 1.109 764 F CA 2.411 60.551 58.000 0.233 0.000 1.212 764 F CB -0.499 38.691 39.000 0.317 0.000 0.973 764 F HN -0.083 nan 8.300 nan 0.000 0.480 765 K N 0.027 120.520 120.400 0.155 0.000 2.160 765 K HA -0.216 4.248 4.320 0.241 0.000 0.206 765 K C 1.965 178.484 176.600 -0.135 0.000 1.047 765 K CA 1.972 58.261 56.287 0.003 0.000 0.930 765 K CB -0.334 32.240 32.500 0.125 0.000 0.720 765 K HN 0.517 nan 8.250 nan 0.000 0.450 766 E N -0.028 120.080 120.200 -0.154 0.000 2.046 766 E HA -0.162 4.333 4.350 0.241 0.000 0.190 766 E C 1.861 178.303 176.600 -0.264 0.000 0.982 766 E CA 0.920 57.208 56.400 -0.187 0.000 0.800 766 E CB -0.140 29.460 29.700 -0.167 0.000 0.756 766 E HN 0.256 nan 8.360 nan 0.000 0.449 767 F N 2.080 121.682 119.950 -0.580 0.000 2.146 767 F HA -0.141 4.531 4.527 0.241 0.000 0.298 767 F C 2.402 177.941 175.800 -0.434 0.000 1.096 767 F CA 1.403 59.073 58.000 -0.550 0.000 1.275 767 F CB 0.179 38.732 39.000 -0.744 0.000 1.008 767 F HN -0.081 nan 8.300 nan 0.000 0.480 768 E N 0.183 120.060 120.200 -0.539 0.000 2.160 768 E HA -0.275 4.219 4.350 0.241 0.000 0.195 768 E C 1.920 178.315 176.600 -0.343 0.000 0.991 768 E CA 1.195 57.284 56.400 -0.519 0.000 0.810 768 E CB 0.019 29.365 29.700 -0.590 0.000 0.742 768 E HN 0.191 nan 8.360 nan 0.000 0.466 769 K N 0.605 120.836 120.400 -0.282 0.000 2.148 769 K HA -0.068 4.397 4.320 0.241 0.000 0.204 769 K C 1.731 178.204 176.600 -0.211 0.000 1.050 769 K CA 1.139 57.309 56.287 -0.195 0.000 0.942 769 K CB 0.142 32.558 32.500 -0.140 0.000 0.724 769 K HN 0.198 nan 8.250 nan 0.000 0.446 770 E N -1.234 118.797 120.200 -0.281 0.000 2.340 770 E HA -0.031 4.463 4.350 0.241 0.000 0.194 770 E C 1.592 177.997 176.600 -0.325 0.000 0.996 770 E CA -0.049 56.192 56.400 -0.265 0.000 0.869 770 E CB -0.084 29.483 29.700 -0.222 0.000 0.835 770 E HN 0.199 nan 8.360 nan 0.000 0.493 771 F N 2.724 122.286 119.950 -0.646 0.000 2.045 771 F HA -0.326 4.346 4.527 0.241 0.000 0.297 771 F C 2.362 177.967 175.800 -0.325 0.000 1.114 771 F CA 1.866 59.490 58.000 -0.627 0.000 1.207 771 F CB 0.061 38.671 39.000 -0.650 0.000 0.964 771 F HN -0.153 nan 8.300 nan 0.000 0.486 772 R N -0.275 120.037 120.500 -0.314 0.000 2.200 772 R HA -0.189 4.295 4.340 0.241 0.000 0.234 772 R C 1.977 177.992 176.300 -0.476 0.000 1.127 772 R CA 1.692 57.418 56.100 -0.622 0.000 0.989 772 R CB -0.343 29.593 30.300 -0.606 0.000 0.869 772 R HN 0.552 nan 8.270 nan 0.000 0.459 773 Q N -0.022 119.591 119.800 -0.312 0.000 2.424 773 Q HA 0.100 4.585 4.340 0.241 0.000 0.204 773 Q C 0.098 176.002 176.000 -0.160 0.000 0.933 773 Q CA 0.074 55.754 55.803 -0.204 0.000 0.929 773 Q CB 0.312 28.953 28.738 -0.161 0.000 1.037 773 Q HN 0.286 nan 8.270 nan 0.000 0.511 774 L N 1.574 122.666 121.223 -0.217 0.000 2.452 774 L HA 0.066 4.551 4.340 0.241 0.000 0.267 774 L C 0.720 177.532 176.870 -0.097 0.000 1.188 774 L CA -0.366 54.374 54.840 -0.167 0.000 0.821 774 L CB 0.176 42.095 42.059 -0.234 0.000 1.102 774 L HN 0.197 nan 8.230 nan 0.000 0.470 775 N N 0.885 119.548 118.700 -0.063 0.000 2.458 775 N HA -0.096 4.789 4.740 0.241 0.000 0.258 775 N C 0.920 176.399 175.510 -0.051 0.000 1.219 775 N CA -0.089 52.947 53.050 -0.023 0.000 0.902 775 N CB 0.726 39.175 38.487 -0.063 0.000 1.076 775 N HN 0.616 nan 8.380 nan 0.000 0.455 776 Y N 3.830 124.092 120.300 -0.064 0.000 2.207 776 Y HA -0.159 4.536 4.550 0.241 0.000 0.287 776 Y C 1.805 177.659 175.900 -0.077 0.000 1.156 776 Y CA 0.948 59.005 58.100 -0.072 0.000 1.182 776 Y CB -0.257 38.167 38.460 -0.059 0.000 0.979 776 Y HN 0.503 nan 8.280 nan 0.000 0.521 777 I N 1.253 121.309 120.570 -0.857 0.000 2.202 777 I HA -0.279 4.035 4.170 0.241 0.000 0.242 777 I C 2.727 178.561 176.117 -0.471 0.000 1.091 777 I CA 1.723 62.543 61.300 -0.800 0.000 1.368 777 I CB -0.610 36.892 38.000 -0.831 0.000 1.058 777 I HN 0.490 nan 8.210 nan 0.000 0.410 778 S N 1.467 116.998 115.700 -0.281 0.000 2.442 778 S HA -0.119 4.495 4.470 0.241 0.000 0.236 778 S C 1.736 176.299 174.600 -0.062 0.000 1.007 778 S CA 1.024 59.148 58.200 -0.127 0.000 0.965 778 S CB -0.728 62.429 63.200 -0.071 0.000 0.773 778 S HN 0.683 nan 8.310 nan 0.000 0.504 779 I N -1.687 118.831 120.570 -0.088 0.000 4.018 779 I HA 0.579 4.894 4.170 0.241 0.000 0.337 779 I C 0.668 176.806 176.117 0.034 0.000 1.327 779 I CA -0.685 60.612 61.300 -0.004 0.000 1.100 779 I CB -0.051 37.858 38.000 -0.151 0.000 1.025 779 I HN 0.229 nan 8.210 nan 0.000 0.396 780 A N 1.319 124.113 122.820 -0.043 0.000 2.354 780 A HA 0.619 5.083 4.320 0.241 0.000 0.269 780 A C 0.464 178.069 177.584 0.035 0.000 1.109 780 A CA -0.161 51.874 52.037 -0.003 0.000 0.800 780 A CB 0.426 19.361 19.000 -0.108 0.000 1.045 780 A HN 0.379 nan 8.150 nan 0.000 0.489 781 S N -0.222 115.522 115.700 0.073 0.000 2.614 781 S HA 0.478 5.092 4.470 0.241 0.000 0.265 781 S C 0.002 174.624 174.600 0.037 0.000 1.303 781 S CA -0.424 57.813 58.200 0.062 0.000 1.000 781 S CB 0.991 64.232 63.200 0.068 0.000 0.935 781 S HN 0.607 nan 8.310 nan 0.000 0.551 782 V N 1.205 121.108 119.914 -0.019 0.000 2.823 782 V HA 0.812 5.077 4.120 0.241 0.000 0.312 782 V C -0.242 175.754 176.094 -0.163 0.000 1.072 782 V CA -0.535 61.693 62.300 -0.121 0.000 0.937 782 V CB 2.028 33.763 31.823 -0.148 0.000 1.013 782 V HN 0.816 nan 8.190 nan 0.000 0.430 783 S N 1.781 117.342 115.700 -0.232 0.000 2.543 783 S HA 0.517 5.131 4.470 0.241 0.000 0.273 783 S C -0.556 173.882 174.600 -0.270 0.000 1.152 783 S CA -0.469 57.551 58.200 -0.301 0.000 0.910 783 S CB 1.887 64.790 63.200 -0.495 0.000 1.105 783 S HN 0.753 nan 8.310 nan 0.000 0.465 784 S N 2.456 118.019 115.700 -0.229 0.000 2.572 784 S HA 0.562 5.177 4.470 0.241 0.000 0.279 784 S C 0.074 174.634 174.600 -0.067 0.000 1.341 784 S CA -0.169 57.948 58.200 -0.137 0.000 1.043 784 S CB 0.938 64.081 63.200 -0.094 0.000 0.887 784 S HN 1.024 nan 8.310 nan 0.000 0.516 785 A N 3.312 126.147 122.820 0.025 0.000 2.323 785 A HA 0.581 5.046 4.320 0.241 0.000 0.305 785 A C -0.348 177.288 177.584 0.086 0.000 1.275 785 A CA -0.896 51.229 52.037 0.146 0.000 0.804 785 A CB 0.143 19.207 19.000 0.107 0.000 1.152 785 A HN 0.836 nan 8.150 nan 0.000 0.487 786 N N 0.848 119.620 118.700 0.121 0.000 2.404 786 N HA 0.470 5.354 4.740 0.241 0.000 0.297 786 N C -0.402 175.168 175.510 0.101 0.000 1.163 786 N CA -0.907 52.192 53.050 0.081 0.000 0.864 786 N CB 0.786 39.315 38.487 0.070 0.000 1.247 786 N HN 0.674 nan 8.380 nan 0.000 0.510 787 N N -0.015 118.729 118.700 0.072 0.000 2.725 787 N HA -0.205 4.679 4.740 0.241 0.000 0.251 787 N C 0.087 175.656 175.510 0.098 0.000 1.031 787 N CA 0.028 53.119 53.050 0.068 0.000 0.720 787 N CB -1.140 37.391 38.487 0.073 0.000 0.930 787 N HN 0.497 nan 8.380 nan 0.000 0.543 788 I N -0.279 120.335 120.570 0.074 0.000 2.179 788 I HA -0.285 4.030 4.170 0.241 0.000 0.242 788 I C 2.559 178.701 176.117 0.042 0.000 1.088 788 I CA 1.580 62.922 61.300 0.069 0.000 1.357 788 I CB -0.305 37.720 38.000 0.041 0.000 1.051 788 I HN 0.535 nan 8.210 nan 0.000 0.409 789 A N 0.848 123.669 122.820 0.001 0.000 1.986 789 A HA -0.289 4.175 4.320 0.241 0.000 0.220 789 A C 2.413 179.949 177.584 -0.079 0.000 1.171 789 A CA 2.071 54.078 52.037 -0.052 0.000 0.640 789 A CB -0.639 18.335 19.000 -0.043 0.000 0.811 789 A HN 0.441 nan 8.150 nan 0.000 0.451 790 K N -1.599 118.735 120.400 -0.111 0.000 2.097 790 K HA -0.165 4.299 4.320 0.241 0.000 0.206 790 K C 1.007 177.381 176.600 -0.377 0.000 1.049 790 K CA 1.750 57.868 56.287 -0.281 0.000 0.933 790 K CB -0.247 32.006 32.500 -0.412 0.000 0.717 790 K HN 0.603 nan 8.250 nan 0.000 0.442 791 Y N 0.298 120.578 120.300 -0.034 0.000 2.467 791 Y HA 0.146 4.840 4.550 0.240 0.000 0.250 791 Y C 0.047 175.928 175.900 -0.032 0.000 1.155 791 Y CA -0.628 57.453 58.100 -0.032 0.000 1.249 791 Y CB 0.569 39.003 38.460 -0.044 0.000 1.146 791 Y HN 0.012 nan 8.280 nan 0.000 0.524 792 D N 0.936 121.369 120.400 0.056 0.000 2.374 792 D HA 0.114 4.898 4.640 0.241 0.000 0.240 792 D C 0.606 176.907 176.300 0.002 0.000 1.229 792 D CA 0.384 54.392 54.000 0.014 0.000 0.895 792 D CB 1.437 42.208 40.800 -0.048 0.000 1.046 792 D HN 0.081 nan 8.370 nan 0.000 0.498 793 V N 3.605 123.547 119.914 0.047 0.000 3.570 793 V HA 0.176 4.441 4.120 0.241 0.000 0.257 793 V C 1.923 178.060 176.094 0.072 0.000 1.272 793 V CA 0.817 63.142 62.300 0.041 0.000 1.079 793 V CB 0.886 32.738 31.823 0.048 0.000 0.829 793 V HN 0.601 nan 8.190 nan 0.000 0.454 794 G N 0.619 109.508 108.800 0.150 0.000 2.624 794 G HA2 0.061 4.165 3.960 0.241 0.000 0.216 794 G HA3 0.061 4.165 3.960 0.241 0.000 0.216 794 G C 1.201 176.219 174.900 0.196 0.000 1.274 794 G CA 0.611 45.882 45.100 0.286 0.000 0.856 794 G HN 0.569 nan 8.290 nan 0.000 0.555 795 G N 0.517 109.385 108.800 0.114 0.000 2.686 795 G HA2 0.346 4.451 3.960 0.241 0.000 0.280 795 G HA3 0.346 4.451 3.960 0.241 0.000 0.280 795 G C -0.795 174.078 174.900 -0.045 0.000 0.666 795 G CA -0.254 44.863 45.100 0.028 0.000 2.114 795 G HN 0.129 nan 8.290 nan 0.000 0.553 796 F N 0.473 120.415 119.950 -0.012 0.000 2.556 796 F HA 0.447 5.118 4.527 0.241 0.000 0.327 796 F C -2.014 173.785 175.800 -0.003 0.000 1.059 796 F CA -2.634 55.361 58.000 -0.008 0.000 0.953 796 F CB 2.495 41.490 39.000 -0.008 0.000 1.227 796 F HN 0.020 nan 8.300 nan 0.000 0.478 797 P HA 0.135 nan 4.420 nan 0.000 0.267 797 P C -0.140 177.230 177.300 0.117 0.000 1.205 797 P CA 0.052 63.205 63.100 0.088 0.000 0.765 797 P CB 0.430 32.150 31.700 0.034 0.000 0.828 798 G N 4.368 113.249 108.800 0.136 0.000 2.535 798 G HA2 0.399 4.504 3.960 0.241 0.000 0.282 798 G HA3 0.399 4.504 3.960 0.241 0.000 0.282 798 G C -2.489 172.501 174.900 0.150 0.000 1.350 798 G CA -1.418 43.769 45.100 0.145 0.000 1.039 798 G HN 0.290 nan 8.290 nan 0.000 0.509 799 P HA 0.227 nan 4.420 nan 0.000 0.267 799 P C -0.337 177.076 177.300 0.188 0.000 1.209 799 P CA 0.164 63.339 63.100 0.124 0.000 0.763 799 P CB 0.546 32.301 31.700 0.092 0.000 0.816 800 K N -0.628 119.836 120.400 0.105 0.000 3.129 800 K HA -0.186 4.279 4.320 0.241 0.000 0.273 800 K C 0.031 176.545 176.600 -0.144 0.000 1.123 800 K CA 0.092 56.413 56.287 0.055 0.000 0.800 800 K CB -2.146 30.435 32.500 0.134 0.000 1.238 800 K HN 0.504 nan 8.250 nan 0.000 0.492 801 C N 1.838 121.037 119.300 -0.168 0.000 2.638 801 C HA 0.175 4.779 4.460 0.241 0.000 0.410 801 C C -1.576 173.159 174.990 -0.425 0.000 1.404 801 C CA -1.613 57.133 59.018 -0.454 0.000 1.651 801 C CB -0.478 27.166 27.740 -0.160 0.000 2.495 801 C HN 0.230 nan 8.230 nan 0.000 0.606 802 P HA 0.039 nan 4.420 nan 0.000 0.266 802 P C 0.510 177.672 177.300 -0.231 0.000 1.195 802 P CA 0.122 63.008 63.100 -0.356 0.000 0.768 802 P CB 0.217 31.612 31.700 -0.508 0.000 0.838 803 F N 3.519 123.385 119.950 -0.140 0.000 2.091 803 F HA -0.301 4.370 4.527 0.241 0.000 0.299 803 F C 2.490 178.261 175.800 -0.048 0.000 1.103 803 F CA 2.002 59.969 58.000 -0.055 0.000 1.228 803 F CB -0.390 38.623 39.000 0.022 0.000 0.984 803 F HN 0.510 nan 8.300 nan 0.000 0.477 804 H N -0.334 118.790 119.070 0.091 0.000 2.389 804 H HA -0.117 4.584 4.556 0.241 0.000 0.299 804 H C 2.216 177.491 175.328 -0.088 0.000 1.081 804 H CA 1.731 57.772 56.048 -0.012 0.000 1.345 804 H CB -1.083 28.698 29.762 0.031 0.000 1.393 804 H HN 0.272 nan 8.280 nan 0.000 0.520 805 I N 1.583 121.784 120.570 -0.614 0.000 2.361 805 I HA -0.182 4.132 4.170 0.241 0.000 0.251 805 I C 2.851 178.834 176.117 -0.224 0.000 1.133 805 I CA 0.914 61.994 61.300 -0.368 0.000 1.413 805 I CB -0.905 36.852 38.000 -0.404 0.000 1.073 805 I HN 0.264 nan 8.210 nan 0.000 0.424 806 R N 1.434 121.777 120.500 -0.262 0.000 2.073 806 R HA -0.132 4.352 4.340 0.241 0.000 0.234 806 R C 2.432 178.604 176.300 -0.213 0.000 1.134 806 R CA 1.782 57.747 56.100 -0.225 0.000 0.952 806 R CB -0.635 29.500 30.300 -0.276 0.000 0.850 806 R HN 0.316 nan 8.270 nan 0.000 0.433 807 G N 1.271 109.912 108.800 -0.265 0.000 2.469 807 G HA2 -0.274 3.830 3.960 0.241 0.000 0.219 807 G HA3 -0.274 3.830 3.960 0.241 0.000 0.219 807 G C 1.454 176.325 174.900 -0.048 0.000 1.150 807 G CA 1.249 46.247 45.100 -0.171 0.000 0.763 807 G HN 0.341 nan 8.290 nan 0.000 0.561 808 I N 0.283 120.829 120.570 -0.039 0.000 2.315 808 I HA -0.067 4.248 4.170 0.241 0.000 0.248 808 I C 2.583 178.738 176.117 0.063 0.000 1.117 808 I CA 0.589 61.912 61.300 0.039 0.000 1.404 808 I CB -0.090 37.918 38.000 0.012 0.000 1.071 808 I HN 0.124 nan 8.210 nan 0.000 0.419 809 L N -0.376 120.832 121.223 -0.026 0.000 2.156 809 L HA -0.126 4.359 4.340 0.241 0.000 0.208 809 L C 2.479 179.281 176.870 -0.114 0.000 1.095 809 L CA 1.161 55.958 54.840 -0.071 0.000 0.770 809 L CB -0.956 41.040 42.059 -0.105 0.000 0.914 809 L HN 0.227 nan 8.230 nan 0.000 0.439 810 T N -1.248 113.252 114.554 -0.091 0.000 2.867 810 T HA -0.220 4.274 4.350 0.241 0.000 0.268 810 T C 1.679 176.385 174.700 0.010 0.000 1.057 810 T CA 1.179 63.230 62.100 -0.081 0.000 1.136 810 T CB -0.323 68.496 68.868 -0.081 0.000 0.874 810 T HN 0.267 nan 8.240 nan 0.000 0.466 811 Y N 3.086 123.343 120.300 -0.072 0.000 2.133 811 Y HA -0.152 4.543 4.550 0.241 0.000 0.287 811 Y C 2.162 178.060 175.900 -0.004 0.000 1.134 811 Y CA 1.239 59.326 58.100 -0.022 0.000 1.133 811 Y CB -0.606 37.868 38.460 0.024 0.000 0.987 811 Y HN 0.085 nan 8.280 nan 0.000 0.502 812 N N 0.762 119.442 118.700 -0.034 0.000 2.192 812 N HA -0.177 4.707 4.740 0.241 0.000 0.188 812 N C 0.333 175.754 175.510 -0.148 0.000 1.013 812 N CA 1.456 54.438 53.050 -0.113 0.000 0.863 812 N CB -0.442 38.032 38.487 -0.021 0.000 0.990 812 N HN 0.408 nan 8.380 nan 0.000 0.430 813 R N 0.396 120.809 120.500 -0.146 0.000 4.071 813 R HA 0.469 4.954 4.340 0.241 0.000 0.220 813 R C 0.228 176.476 176.300 -0.086 0.000 1.614 813 R CA 0.058 56.075 56.100 -0.139 0.000 1.505 813 R CB 0.416 30.579 30.300 -0.229 0.000 1.384 813 R HN 0.105 nan 8.270 nan 0.000 0.758 814 A N 0.966 123.721 122.820 -0.109 0.000 2.025 814 A HA 0.007 4.471 4.320 0.241 0.000 0.162 814 A C 0.607 178.117 177.584 -0.123 0.000 1.995 814 A CA -0.303 51.696 52.037 -0.064 0.000 1.547 814 A CB 0.064 19.109 19.000 0.076 0.000 1.629 814 A HN 0.402 nan 8.150 nan 0.000 0.309 815 I N -0.725 119.708 120.570 -0.229 0.000 3.637 815 I HA 0.357 4.672 4.170 0.241 0.000 0.342 815 I C 1.478 177.516 176.117 -0.131 0.000 1.545 815 I CA -0.121 61.051 61.300 -0.213 0.000 1.126 815 I CB 0.370 38.144 38.000 -0.377 0.000 1.375 815 I HN 0.159 nan 8.210 nan 0.000 0.467 816 K N 1.749 122.095 120.400 -0.091 0.000 1.973 816 K HA -0.029 4.436 4.320 0.241 0.000 0.212 816 K C 1.554 178.142 176.600 -0.021 0.000 1.047 816 K CA 2.118 58.377 56.287 -0.047 0.000 0.937 816 K CB -1.328 31.152 32.500 -0.034 0.000 0.721 816 K HN 0.402 nan 8.250 nan 0.000 0.440 817 G N 1.254 110.043 108.800 -0.019 0.000 2.683 817 G HA2 -0.141 3.964 3.960 0.241 0.000 0.213 817 G HA3 -0.141 3.964 3.960 0.241 0.000 0.213 817 G C 0.598 175.497 174.900 -0.002 0.000 1.142 817 G CA -0.275 44.822 45.100 -0.004 0.000 0.793 817 G HN 0.443 nan 8.290 nan 0.000 0.534 818 N N 1.407 120.099 118.700 -0.013 0.000 2.394 818 N HA 0.017 4.901 4.740 0.241 0.000 0.277 818 N C 1.522 177.039 175.510 0.012 0.000 1.346 818 N CA -0.141 52.906 53.050 -0.005 0.000 0.910 818 N CB 0.518 38.993 38.487 -0.019 0.000 1.201 818 N HN 0.231 nan 8.380 nan 0.000 0.488 819 I N 0.958 121.540 120.570 0.020 0.000 2.617 819 I HA 0.043 4.358 4.170 0.241 0.000 0.256 819 I C 0.676 176.816 176.117 0.039 0.000 1.167 819 I CA 0.966 62.284 61.300 0.031 0.000 1.469 819 I CB -0.164 37.852 38.000 0.025 0.000 1.098 819 I HN 0.254 nan 8.210 nan 0.000 0.436 820 D N 1.411 121.834 120.400 0.037 0.000 2.491 820 D HA 0.446 5.231 4.640 0.241 0.000 0.228 820 D C 0.358 176.701 176.300 0.073 0.000 1.183 820 D CA 0.070 54.100 54.000 0.050 0.000 0.827 820 D CB 0.307 41.132 40.800 0.041 0.000 0.989 820 D HN 0.421 nan 8.370 nan 0.000 0.494 821 A N 1.396 124.260 122.820 0.074 0.000 2.305 821 A HA 0.599 5.063 4.320 0.241 0.000 0.322 821 A C -2.381 175.291 177.584 0.146 0.000 1.187 821 A CA -1.375 50.724 52.037 0.103 0.000 0.825 821 A CB 0.553 19.581 19.000 0.047 0.000 1.164 821 A HN -0.051 nan 8.150 nan 0.000 0.498 822 P HA 0.261 nan 4.420 nan 0.000 0.280 822 P C -0.848 176.593 177.300 0.234 0.000 1.244 822 P CA -0.233 62.975 63.100 0.180 0.000 0.784 822 P CB 0.641 32.442 31.700 0.169 0.000 0.913 823 Q N 1.421 121.304 119.800 0.139 0.000 2.243 823 Q HA 0.260 4.745 4.340 0.241 0.000 0.252 823 Q C -0.160 175.894 176.000 0.089 0.000 0.909 823 Q CA -0.780 55.114 55.803 0.153 0.000 0.922 823 Q CB 1.209 30.002 28.738 0.093 0.000 1.215 823 Q HN 0.233 nan 8.270 nan 0.000 0.427 824 V N 2.623 122.616 119.914 0.132 0.000 2.599 824 V HA 0.024 4.288 4.120 0.241 0.000 0.300 824 V C 0.339 176.437 176.094 0.006 0.000 1.034 824 V CA -0.026 62.292 62.300 0.031 0.000 1.115 824 V CB 0.552 32.403 31.823 0.048 0.000 0.934 824 V HN 0.434 nan 8.190 nan 0.000 0.485 825 V N 3.992 123.879 119.914 -0.045 0.000 2.384 825 V HA 0.279 4.544 4.120 0.241 0.000 0.287 825 V C 0.197 176.268 176.094 -0.038 0.000 1.020 825 V CA -0.828 61.440 62.300 -0.053 0.000 0.850 825 V CB 1.565 33.323 31.823 -0.109 0.000 0.987 825 V HN 0.998 nan 8.190 nan 0.000 0.436 826 E N 3.900 124.093 120.200 -0.011 0.000 2.585 826 E HA 0.300 4.794 4.350 0.241 0.000 0.252 826 E C 1.209 177.793 176.600 -0.027 0.000 0.981 826 E CA 1.500 57.898 56.400 -0.003 0.000 0.943 826 E CB 0.048 29.758 29.700 0.017 0.000 0.923 826 E HN 1.015 nan 8.360 nan 0.000 0.486 827 G N 3.897 112.682 108.800 -0.026 0.000 2.258 827 G HA2 -0.239 3.865 3.960 0.241 0.000 0.233 827 G HA3 -0.239 3.865 3.960 0.241 0.000 0.233 827 G C 0.177 175.035 174.900 -0.071 0.000 1.006 827 G CA 0.188 45.260 45.100 -0.047 0.000 0.620 827 G HN 0.564 nan 8.290 nan 0.000 0.511 828 E N 0.774 120.927 120.200 -0.079 0.000 2.385 828 E HA 0.474 4.968 4.350 0.241 0.000 0.254 828 E C 0.277 176.808 176.600 -0.116 0.000 1.228 828 E CA -0.259 56.081 56.400 -0.100 0.000 0.956 828 E CB 0.651 30.284 29.700 -0.112 0.000 1.116 828 E HN 0.407 nan 8.360 nan 0.000 0.507 829 K N 0.415 120.722 120.400 -0.155 0.000 2.098 829 K HA 0.433 4.897 4.320 0.241 0.000 0.258 829 K C -0.375 176.021 176.600 -0.340 0.000 0.973 829 K CA -0.647 55.503 56.287 -0.229 0.000 0.898 829 K CB 1.511 33.861 32.500 -0.249 0.000 1.057 829 K HN 0.296 nan 8.250 nan 0.000 0.447 830 V N -0.843 118.845 119.914 -0.377 0.000 2.789 830 V HA 0.416 4.681 4.120 0.241 0.000 0.311 830 V C -1.087 174.651 176.094 -0.593 0.000 1.073 830 V CA -1.210 60.793 62.300 -0.495 0.000 0.921 830 V CB 0.797 32.438 31.823 -0.304 0.000 1.009 830 V HN 0.524 nan 8.190 nan 0.000 0.426 831 Y N 2.143 121.956 120.300 -0.811 0.000 2.397 831 Y HA 0.643 5.338 4.550 0.241 0.000 0.335 831 Y C 0.481 175.946 175.900 -0.726 0.000 1.213 831 Y CA -0.462 57.074 58.100 -0.939 0.000 1.391 831 Y CB 1.263 38.740 38.460 -1.639 0.000 1.293 831 Y HN 0.572 nan 8.280 nan 0.000 0.557 832 V N 4.939 124.770 119.914 -0.139 0.000 2.623 832 V HA 0.450 4.715 4.120 0.241 0.000 0.304 832 V C -0.619 175.601 176.094 0.210 0.000 1.054 832 V CA -1.015 61.331 62.300 0.078 0.000 0.882 832 V CB 1.865 33.775 31.823 0.144 0.000 1.002 832 V HN 0.548 nan 8.190 nan 0.000 0.424 833 L N 6.576 127.970 121.223 0.285 0.000 2.385 833 L HA 0.602 5.087 4.340 0.241 0.000 0.273 833 L C -2.468 174.516 176.870 0.191 0.000 0.990 833 L CA -1.798 53.187 54.840 0.241 0.000 0.821 833 L CB 3.369 45.581 42.059 0.255 0.000 1.279 833 L HN 0.413 nan 8.230 nan 0.000 0.412 834 P HA 0.208 nan 4.420 nan 0.000 0.275 834 P C -1.257 176.122 177.300 0.132 0.000 1.228 834 P CA -0.424 62.807 63.100 0.218 0.000 0.786 834 P CB 1.379 33.213 31.700 0.222 0.000 0.927 835 L N 3.114 124.417 121.223 0.133 0.000 2.346 835 L HA 0.427 4.911 4.340 0.241 0.000 0.274 835 L C 0.983 177.970 176.870 0.194 0.000 1.007 835 L CA -0.830 54.103 54.840 0.156 0.000 0.818 835 L CB 1.090 43.221 42.059 0.119 0.000 1.284 835 L HN 0.321 nan 8.230 nan 0.000 0.424 836 R N 1.324 121.994 120.500 0.283 0.000 2.489 836 R HA 0.086 4.571 4.340 0.241 0.000 0.287 836 R C 0.031 176.501 176.300 0.284 0.000 1.053 836 R CA -0.339 55.941 56.100 0.300 0.000 1.036 836 R CB 0.483 30.997 30.300 0.357 0.000 0.966 836 R HN 0.569 nan 8.270 nan 0.000 0.432 837 E N 0.666 120.982 120.200 0.194 0.000 2.568 837 E HA -0.088 4.406 4.350 0.241 0.000 0.262 837 E C 0.789 177.473 176.600 0.140 0.000 0.961 837 E CA 1.305 57.783 56.400 0.129 0.000 0.945 837 E CB 0.272 30.037 29.700 0.109 0.000 0.924 837 E HN 0.782 nan 8.360 nan 0.000 0.467 838 G N 3.240 112.041 108.800 0.001 0.000 2.194 838 G HA2 -0.325 3.779 3.960 0.241 0.000 0.236 838 G HA3 -0.325 3.779 3.960 0.241 0.000 0.236 838 G C -0.034 174.542 174.900 -0.540 0.000 0.987 838 G CA 0.172 45.221 45.100 -0.085 0.000 0.635 838 G HN 0.829 nan 8.290 nan 0.000 0.520 839 N N 1.041 119.285 118.700 -0.760 0.000 2.381 839 N HA 0.432 5.317 4.740 0.241 0.000 0.241 839 N C -0.732 174.287 175.510 -0.818 0.000 1.279 839 N CA -0.557 51.665 53.050 -1.379 0.000 0.896 839 N CB 0.759 38.891 38.487 -0.593 0.000 1.118 839 N HN 0.151 nan 8.380 nan 0.000 0.438 840 P HA -0.004 nan 4.420 nan 0.000 0.236 840 P C 0.271 177.278 177.300 -0.489 0.000 1.177 840 P CA 0.748 63.495 63.100 -0.588 0.000 0.773 840 P CB -0.014 31.322 31.700 -0.607 0.000 0.878 841 F N 0.623 120.418 119.950 -0.258 0.000 2.558 841 F HA 0.235 4.906 4.527 0.241 0.000 0.298 841 F C 1.990 177.712 175.800 -0.130 0.000 1.119 841 F CA 1.225 59.128 58.000 -0.161 0.000 1.451 841 F CB -1.040 37.883 39.000 -0.128 0.000 1.091 841 F HN 0.056 nan 8.300 nan 0.000 0.563 842 G N 0.188 108.991 108.800 0.006 0.000 2.153 842 G HA2 -0.252 3.853 3.960 0.241 0.000 0.252 842 G HA3 -0.252 3.853 3.960 0.241 0.000 0.252 842 G C -0.297 174.627 174.900 0.041 0.000 0.994 842 G CA 0.414 45.520 45.100 0.010 0.000 0.698 842 G HN 0.376 nan 8.290 nan 0.000 0.521 843 D N -1.409 119.013 120.400 0.036 0.000 2.599 843 D HA 0.317 5.102 4.640 0.241 0.000 0.252 843 D C 1.208 177.509 176.300 0.002 0.000 1.232 843 D CA -0.199 53.809 54.000 0.012 0.000 0.819 843 D CB 0.742 41.528 40.800 -0.024 0.000 1.401 843 D HN 0.152 nan 8.370 nan 0.000 0.429 844 K N -0.850 119.544 120.400 -0.010 0.000 2.487 844 K HA 0.219 4.684 4.320 0.241 0.000 0.192 844 K C 0.349 176.950 176.600 0.001 0.000 1.027 844 K CA 0.061 56.369 56.287 0.036 0.000 1.054 844 K CB -0.564 31.999 32.500 0.105 0.000 0.824 844 K HN 0.413 nan 8.250 nan 0.000 0.510 845 C N -1.356 117.864 119.300 -0.133 0.000 3.307 845 C HA 0.725 5.329 4.460 0.241 0.000 0.333 845 C C -1.240 173.643 174.990 -0.178 0.000 1.291 845 C CA -1.474 57.438 59.018 -0.177 0.000 1.273 845 C CB 0.584 28.011 27.740 -0.521 0.000 1.580 845 C HN 0.405 nan 8.230 nan 0.000 0.481 846 I N 1.877 122.385 120.570 -0.102 0.000 2.582 846 I HA 0.784 5.098 4.170 0.241 0.000 0.292 846 I C -0.112 176.089 176.117 0.141 0.000 1.066 846 I CA -0.259 61.002 61.300 -0.066 0.000 1.053 846 I CB 1.829 39.666 38.000 -0.271 0.000 1.241 846 I HN 1.299 nan 8.210 nan 0.000 0.421 847 A N 6.309 129.206 122.820 0.128 0.000 2.374 847 A HA 0.893 5.357 4.320 0.241 0.000 0.317 847 A C -1.829 175.774 177.584 0.031 0.000 1.094 847 A CA -0.475 51.628 52.037 0.110 0.000 0.765 847 A CB 0.945 19.933 19.000 -0.020 0.000 1.268 847 A HN 0.902 nan 8.150 nan 0.000 0.438 848 W N 0.370 121.458 121.300 -0.354 0.000 3.213 848 W HA 0.663 5.468 4.660 0.242 0.000 0.318 848 W C -3.416 172.904 176.519 -0.331 0.000 1.248 848 W CA -2.582 54.386 57.345 -0.627 0.000 1.187 848 W CB 0.351 29.435 29.460 -0.627 0.000 1.403 848 W HN 0.422 nan 8.180 nan 0.000 0.556 849 P HA -0.019 nan 4.420 nan 0.000 0.260 849 P C 0.380 177.399 177.300 -0.468 0.000 1.172 849 P CA 0.692 63.617 63.100 -0.292 0.000 0.760 849 P CB 0.677 32.309 31.700 -0.112 0.000 0.773 850 S N 2.718 117.999 115.700 -0.698 0.000 2.579 850 S HA 0.400 5.015 4.470 0.241 0.000 0.275 850 S C 1.381 175.625 174.600 -0.593 0.000 1.345 850 S CA 0.285 57.772 58.200 -1.188 0.000 1.031 850 S CB 0.002 62.487 63.200 -1.191 0.000 0.892 850 S HN 0.938 nan 8.310 nan 0.000 0.529 851 G N 0.850 109.399 108.800 -0.419 0.000 2.179 851 G HA2 -0.204 3.901 3.960 0.241 0.000 0.260 851 G HA3 -0.204 3.901 3.960 0.241 0.000 0.260 851 G C 0.220 175.184 174.900 0.108 0.000 0.977 851 G CA 0.528 45.591 45.100 -0.062 0.000 0.641 851 G HN 1.841 nan 8.290 nan 0.000 0.533 852 T N -2.033 112.641 114.554 0.199 0.000 2.907 852 T HA 0.683 5.178 4.350 0.241 0.000 0.292 852 T C -0.423 174.538 174.700 0.435 0.000 1.043 852 T CA -0.826 61.426 62.100 0.253 0.000 1.003 852 T CB 2.696 71.687 68.868 0.205 0.000 1.084 852 T HN 0.141 nan 8.240 nan 0.000 0.483 853 E N 1.121 121.506 120.200 0.309 0.000 2.392 853 E HA 0.187 4.682 4.350 0.241 0.000 0.264 853 E C -0.061 176.704 176.600 0.276 0.000 1.024 853 E CA -0.244 56.351 56.400 0.324 0.000 0.903 853 E CB 1.383 31.201 29.700 0.197 0.000 0.963 853 E HN 0.651 nan 8.360 nan 0.000 0.432 854 I N 1.607 122.220 120.570 0.071 0.000 2.634 854 I HA -0.045 4.270 4.170 0.241 0.000 0.284 854 I C 0.396 176.474 176.117 -0.066 0.000 1.124 854 I CA 0.107 61.245 61.300 -0.271 0.000 1.417 854 I CB 0.774 38.194 38.000 -0.966 0.000 1.396 854 I HN 0.296 nan 8.210 nan 0.000 0.571 855 T N 6.230 120.800 114.554 0.027 0.000 2.933 855 T HA -0.074 4.421 4.350 0.241 0.000 0.306 855 T C 0.870 175.575 174.700 0.008 0.000 1.045 855 T CA 0.048 62.179 62.100 0.053 0.000 1.143 855 T CB 0.317 69.238 68.868 0.089 0.000 1.003 855 T HN 0.650 nan 8.240 nan 0.000 0.540 856 D N 2.110 122.520 120.400 0.017 0.000 2.170 856 D HA -0.123 4.661 4.640 0.241 0.000 0.193 856 D C 2.077 178.375 176.300 -0.004 0.000 1.004 856 D CA 1.298 55.299 54.000 0.002 0.000 0.860 856 D CB -0.097 40.712 40.800 0.015 0.000 0.931 856 D HN 0.496 nan 8.370 nan 0.000 0.448 857 L N 0.048 121.274 121.223 0.006 0.000 2.191 857 L HA -0.086 4.399 4.340 0.241 0.000 0.212 857 L C 2.111 178.986 176.870 0.009 0.000 1.103 857 L CA 0.801 55.642 54.840 0.002 0.000 0.769 857 L CB -0.277 41.782 42.059 -0.000 0.000 0.908 857 L HN 0.194 nan 8.230 nan 0.000 0.438 858 I N -5.676 114.911 120.570 0.028 0.000 4.227 858 I HA 0.067 4.382 4.170 0.241 0.000 0.334 858 I C 2.157 178.312 176.117 0.063 0.000 1.341 858 I CA 0.001 61.359 61.300 0.097 0.000 1.123 858 I CB -0.051 38.065 38.000 0.193 0.000 1.097 858 I HN -0.033 nan 8.210 nan 0.000 0.399 859 K N 2.036 122.407 120.400 -0.048 0.000 2.032 859 K HA -0.216 4.248 4.320 0.241 0.000 0.209 859 K C 1.269 177.783 176.600 -0.143 0.000 1.048 859 K CA 2.521 58.704 56.287 -0.173 0.000 0.927 859 K CB -0.069 32.324 32.500 -0.178 0.000 0.712 859 K HN 0.305 nan 8.250 nan 0.000 0.441 860 D N 0.788 121.153 120.400 -0.059 0.000 2.219 860 D HA -0.109 4.676 4.640 0.241 0.000 0.205 860 D C 1.153 177.492 176.300 0.065 0.000 0.970 860 D CA 1.246 55.230 54.000 -0.027 0.000 0.851 860 D CB -0.207 40.579 40.800 -0.023 0.000 0.943 860 D HN 0.393 nan 8.370 nan 0.000 0.488 861 D N -0.620 119.866 120.400 0.144 0.000 2.249 861 D HA -0.045 4.740 4.640 0.241 0.000 0.205 861 D C 2.087 178.691 176.300 0.506 0.000 0.962 861 D CA 0.183 54.385 54.000 0.336 0.000 0.860 861 D CB 0.177 41.111 40.800 0.225 0.000 0.955 861 D HN 0.023 nan 8.370 nan 0.000 0.505 862 V N 0.909 120.990 119.914 0.278 0.000 2.307 862 V HA -0.198 4.066 4.120 0.241 0.000 0.245 862 V C 2.341 178.454 176.094 0.031 0.000 1.045 862 V CA 1.259 63.600 62.300 0.069 0.000 1.024 862 V CB -0.524 31.143 31.823 -0.260 0.000 0.651 862 V HN 0.251 nan 8.190 nan 0.000 0.449 863 L N -0.503 120.688 121.223 -0.053 0.000 2.083 863 L HA -0.217 4.267 4.340 0.241 0.000 0.209 863 L C 2.593 179.502 176.870 0.064 0.000 1.083 863 L CA 1.978 56.789 54.840 -0.047 0.000 0.752 863 L CB -0.877 41.125 42.059 -0.095 0.000 0.899 863 L HN 0.469 nan 8.230 nan 0.000 0.433 864 H N -1.256 117.816 119.070 0.003 0.000 2.470 864 H HA -0.118 4.583 4.556 0.241 0.000 0.289 864 H C 1.221 176.410 175.328 -0.232 0.000 1.033 864 H CA 1.112 57.087 56.048 -0.122 0.000 1.331 864 H CB 0.261 29.911 29.762 -0.188 0.000 1.414 864 H HN 0.373 nan 8.280 nan 0.000 0.545 865 W N 0.580 121.922 121.300 0.069 0.000 3.132 865 W HA 0.267 5.072 4.660 0.241 0.000 0.364 865 W C 0.312 176.837 176.519 0.010 0.000 1.129 865 W CA -0.571 56.804 57.345 0.050 0.000 1.815 865 W CB 0.305 29.868 29.460 0.170 0.000 1.099 865 W HN -0.094 nan 8.180 nan 0.000 0.605 866 M N 1.563 121.223 119.600 0.101 0.000 2.251 866 M HA -0.078 4.546 4.480 0.241 0.000 0.343 866 M C 0.212 176.481 176.300 -0.051 0.000 1.245 866 M CA 0.996 56.255 55.300 -0.068 0.000 1.061 866 M CB 0.294 32.685 32.600 -0.348 0.000 1.723 866 M HN -0.196 nan 8.290 nan 0.000 0.449 867 D N 2.968 123.358 120.400 -0.016 0.000 2.499 867 D HA 0.114 4.899 4.640 0.241 0.000 0.225 867 D C 0.179 176.524 176.300 0.075 0.000 1.124 867 D CA -0.064 53.981 54.000 0.074 0.000 0.938 867 D CB 0.238 41.111 40.800 0.121 0.000 1.014 867 D HN 0.445 nan 8.370 nan 0.000 0.517 868 Y N 1.192 121.574 120.300 0.136 0.000 2.165 868 Y HA -0.221 4.473 4.550 0.241 0.000 0.286 868 Y C 2.517 178.544 175.900 0.212 0.000 1.155 868 Y CA 1.323 59.564 58.100 0.236 0.000 1.164 868 Y CB -0.337 38.241 38.460 0.196 0.000 0.978 868 Y HN 0.291 nan 8.280 nan 0.000 0.513 869 T N -0.597 114.120 114.554 0.271 0.000 2.652 869 T HA -0.201 4.294 4.350 0.241 0.000 0.267 869 T C 2.098 176.863 174.700 0.108 0.000 1.039 869 T CA 1.805 63.995 62.100 0.150 0.000 1.153 869 T CB -0.831 68.105 68.868 0.113 0.000 0.863 869 T HN 0.114 nan 8.240 nan 0.000 0.428 870 V N 1.288 121.269 119.914 0.113 0.000 2.515 870 V HA -0.056 4.208 4.120 0.241 0.000 0.250 870 V C 2.393 178.537 176.094 0.083 0.000 1.058 870 V CA 1.143 63.493 62.300 0.084 0.000 1.064 870 V CB -0.558 31.319 31.823 0.091 0.000 0.675 870 V HN 0.414 nan 8.190 nan 0.000 0.461 871 L N -0.802 120.501 121.223 0.134 0.000 2.027 871 L HA -0.148 4.337 4.340 0.241 0.000 0.206 871 L C 2.408 179.363 176.870 0.141 0.000 1.074 871 L CA 1.724 56.669 54.840 0.175 0.000 0.745 871 L CB -0.223 41.987 42.059 0.253 0.000 0.898 871 L HN 0.354 nan 8.230 nan 0.000 0.433 872 L N -0.007 121.229 121.223 0.021 0.000 2.046 872 L HA -0.208 4.277 4.340 0.241 0.000 0.208 872 L C 2.552 179.369 176.870 -0.088 0.000 1.077 872 L CA 1.709 56.342 54.840 -0.345 0.000 0.747 872 L CB -0.581 41.094 42.059 -0.640 0.000 0.896 872 L HN 0.218 nan 8.230 nan 0.000 0.432 873 E N -0.001 120.183 120.200 -0.026 0.000 2.051 873 E HA -0.258 4.236 4.350 0.241 0.000 0.192 873 E C 2.239 178.822 176.600 -0.027 0.000 0.991 873 E CA 1.416 57.808 56.400 -0.013 0.000 0.799 873 E CB -0.223 29.480 29.700 0.004 0.000 0.748 873 E HN 0.538 nan 8.360 nan 0.000 0.449 874 K N -0.051 120.341 120.400 -0.012 0.000 2.026 874 K HA -0.108 4.357 4.320 0.241 0.000 0.208 874 K C 2.307 178.897 176.600 -0.017 0.000 1.048 874 K CA 2.010 58.280 56.287 -0.029 0.000 0.929 874 K CB -0.067 32.413 32.500 -0.032 0.000 0.713 874 K HN 0.233 nan 8.250 nan 0.000 0.439 875 T N -2.675 111.905 114.554 0.043 0.000 3.023 875 T HA 0.048 4.543 4.350 0.241 0.000 0.249 875 T C 1.451 176.230 174.700 0.131 0.000 1.050 875 T CA -0.013 62.139 62.100 0.088 0.000 1.088 875 T CB 0.006 68.967 68.868 0.156 0.000 0.946 875 T HN 0.104 nan 8.240 nan 0.000 0.480 876 F N 0.855 120.769 119.950 -0.061 0.000 2.536 876 F HA 0.508 5.179 4.527 0.241 0.000 0.278 876 F C 1.679 177.382 175.800 -0.162 0.000 0.945 876 F CA -0.563 57.390 58.000 -0.078 0.000 1.244 876 F CB -0.084 38.914 39.000 -0.003 0.000 1.118 876 F HN -0.033 nan 8.300 nan 0.000 0.725 877 I N 0.749 121.168 120.570 -0.252 0.000 2.202 877 I HA -0.245 4.069 4.170 0.241 0.000 0.242 877 I C 2.456 178.315 176.117 -0.431 0.000 1.091 877 I CA 1.402 62.457 61.300 -0.408 0.000 1.368 877 I CB -0.421 37.505 38.000 -0.123 0.000 1.058 877 I HN 0.100 nan 8.210 nan 0.000 0.410 878 K N 0.740 120.978 120.400 -0.270 0.000 2.002 878 K HA -0.167 4.297 4.320 0.241 0.000 0.209 878 K C -0.474 175.919 176.600 -0.345 0.000 1.048 878 K CA 1.731 57.876 56.287 -0.237 0.000 0.930 878 K CB -0.893 31.521 32.500 -0.144 0.000 0.714 878 K HN 0.141 nan 8.250 nan 0.000 0.438 879 P HA -0.179 nan 4.420 nan 0.000 0.215 879 P C 1.261 177.837 177.300 -1.207 0.000 1.153 879 P CA 0.923 63.638 63.100 -0.642 0.000 0.853 879 P CB 0.023 31.428 31.700 -0.490 0.000 0.788 880 L N 0.166 120.739 121.223 -1.083 0.000 2.083 880 L HA -0.148 4.336 4.340 0.241 0.000 0.209 880 L C 2.188 178.651 176.870 -0.678 0.000 1.083 880 L CA 1.902 56.117 54.840 -1.041 0.000 0.752 880 L CB -1.284 40.162 42.059 -1.022 0.000 0.899 880 L HN -0.074 nan 8.230 nan 0.000 0.433 881 E N -1.010 118.867 120.200 -0.538 0.000 2.110 881 E HA -0.174 4.321 4.350 0.241 0.000 0.193 881 E C 2.099 178.592 176.600 -0.178 0.000 0.988 881 E CA 1.048 57.318 56.400 -0.216 0.000 0.804 881 E CB -0.431 29.192 29.700 -0.128 0.000 0.745 881 E HN 0.639 nan 8.360 nan 0.000 0.458 882 G N 0.271 108.915 108.800 -0.260 0.000 2.446 882 G HA2 -0.247 3.857 3.960 0.241 0.000 0.217 882 G HA3 -0.247 3.857 3.960 0.241 0.000 0.217 882 G C 1.121 176.042 174.900 0.036 0.000 1.168 882 G CA 0.846 45.881 45.100 -0.107 0.000 0.771 882 G HN 0.189 nan 8.290 nan 0.000 0.551 883 F N 1.969 121.834 119.950 -0.141 0.000 2.113 883 F HA -0.043 4.629 4.527 0.241 0.000 0.297 883 F C 3.162 178.664 175.800 -0.497 0.000 1.103 883 F CA 1.356 59.166 58.000 -0.316 0.000 1.248 883 F CB -1.535 37.285 39.000 -0.301 0.000 0.999 883 F HN 0.263 nan 8.300 nan 0.000 0.475 884 T N -1.817 112.657 114.554 -0.134 0.000 2.777 884 T HA -0.143 4.351 4.350 0.241 0.000 0.266 884 T C 2.157 176.789 174.700 -0.113 0.000 1.040 884 T CA 1.386 63.403 62.100 -0.139 0.000 1.141 884 T CB -1.017 67.844 68.868 -0.012 0.000 0.868 884 T HN 0.316 nan 8.240 nan 0.000 0.444 885 S N 2.433 118.091 115.700 -0.070 0.000 2.383 885 S HA 0.149 4.764 4.470 0.241 0.000 0.227 885 S C 2.475 177.054 174.600 -0.035 0.000 1.026 885 S CA 0.740 58.911 58.200 -0.049 0.000 0.981 885 S CB -0.936 62.247 63.200 -0.029 0.000 0.818 885 S HN 0.727 nan 8.310 nan 0.000 0.472 886 A N 2.150 124.957 122.820 -0.021 0.000 1.902 886 A HA 0.341 4.806 4.320 0.241 0.000 0.217 886 A C 2.450 180.032 177.584 -0.004 0.000 1.181 886 A CA 1.636 53.694 52.037 0.036 0.000 0.623 886 A CB -1.379 17.709 19.000 0.146 0.000 0.818 886 A HN 0.931 nan 8.150 nan 0.000 0.443 887 A N -1.214 121.527 122.820 -0.131 0.000 2.206 887 A HA 0.167 4.632 4.320 0.241 0.000 0.211 887 A C 0.850 178.381 177.584 -0.087 0.000 1.158 887 A CA 0.915 52.874 52.037 -0.130 0.000 0.761 887 A CB -0.331 18.471 19.000 -0.331 0.000 0.801 887 A HN 0.464 nan 8.150 nan 0.000 0.473 888 K N -1.867 118.486 120.400 -0.078 0.000 3.162 888 K HA -0.173 4.292 4.320 0.241 0.000 0.268 888 K C -0.971 175.588 176.600 -0.068 0.000 1.062 888 K CA 0.691 56.940 56.287 -0.064 0.000 0.769 888 K CB -2.359 30.109 32.500 -0.054 0.000 1.274 888 K HN 0.397 nan 8.250 nan 0.000 0.478 889 L N 0.174 121.348 121.223 -0.081 0.000 2.327 889 L HA 0.507 4.991 4.340 0.241 0.000 0.258 889 L C -0.150 176.666 176.870 -0.090 0.000 1.024 889 L CA -0.619 54.176 54.840 -0.074 0.000 0.825 889 L CB 1.657 43.675 42.059 -0.068 0.000 1.386 889 L HN -0.014 nan 8.230 nan 0.000 0.417 890 D N -0.591 119.744 120.400 -0.107 0.000 2.248 890 D HA 0.245 5.030 4.640 0.241 0.000 0.246 890 D C -0.107 176.089 176.300 -0.174 0.000 1.027 890 D CA -0.170 53.709 54.000 -0.201 0.000 0.853 890 D CB 1.667 42.319 40.800 -0.248 0.000 1.243 890 D HN 0.514 nan 8.370 nan 0.000 0.462 891 Y N -0.374 119.786 120.300 -0.233 0.000 2.517 891 Y HA 0.358 5.053 4.550 0.241 0.000 0.281 891 Y C 0.404 176.066 175.900 -0.395 0.000 1.125 891 Y CA 0.010 57.929 58.100 -0.302 0.000 1.283 891 Y CB 0.540 38.727 38.460 -0.455 0.000 1.042 891 Y HN 0.154 nan 8.280 nan 0.000 0.547 892 E N 0.800 120.523 120.200 -0.794 0.000 2.367 892 E HA 0.361 4.856 4.350 0.241 0.000 0.273 892 E C -1.260 175.138 176.600 -0.338 0.000 0.903 892 E CA -1.107 54.978 56.400 -0.524 0.000 0.764 892 E CB 2.170 31.467 29.700 -0.673 0.000 1.252 892 E HN 0.085 nan 8.360 nan 0.000 0.446 893 K N 2.262 122.560 120.400 -0.170 0.000 2.143 893 K HA 0.212 4.676 4.320 0.241 0.000 0.272 893 K C 0.306 176.842 176.600 -0.107 0.000 1.001 893 K CA -0.391 55.827 56.287 -0.116 0.000 0.915 893 K CB 1.187 33.659 32.500 -0.048 0.000 1.047 893 K HN 0.435 nan 8.250 nan 0.000 0.458 894 K N 0.179 120.520 120.400 -0.097 0.000 2.178 894 K HA -0.393 4.071 4.320 0.241 0.000 0.116 894 K C 0.350 176.914 176.600 -0.061 0.000 1.372 894 K CA 1.900 58.147 56.287 -0.067 0.000 0.594 894 K CB -0.854 31.625 32.500 -0.035 0.000 0.508 894 K HN 0.819 nan 8.250 nan 0.000 0.990 895 A N -2.464 120.335 122.820 -0.035 0.000 1.868 895 A HA 0.232 4.696 4.320 0.241 0.000 0.132 895 A C 1.143 178.725 177.584 -0.003 0.000 1.440 895 A CA 1.177 53.201 52.037 -0.022 0.000 2.235 895 A CB 0.266 19.247 19.000 -0.032 0.000 2.253 895 A HN 0.684 nan 8.150 nan 0.000 1.206 896 S N -2.607 113.082 115.700 -0.018 0.000 2.786 896 S HA 0.411 5.026 4.470 0.241 0.000 0.269 896 S C 0.920 175.468 174.600 -0.087 0.000 1.040 896 S CA 0.813 58.986 58.200 -0.046 0.000 1.099 896 S CB 0.084 63.258 63.200 -0.043 0.000 0.936 896 S HN 0.540 nan 8.310 nan 0.000 0.450 897 L N -0.957 120.201 121.223 -0.109 0.000 2.681 897 L HA 0.586 5.070 4.340 0.241 0.000 0.163 897 L C -1.330 175.340 176.870 -0.335 0.000 1.188 897 L CA 0.043 54.714 54.840 -0.281 0.000 0.944 897 L CB 0.890 42.754 42.059 -0.325 0.000 1.835 897 L HN 0.221 nan 8.230 nan 0.000 0.510 898 F N 0.603 120.564 119.950 0.020 0.000 2.551 898 F HA 0.427 5.099 4.527 0.241 0.000 0.316 898 F C 0.601 176.425 175.800 0.039 0.000 1.089 898 F CA -0.557 57.464 58.000 0.035 0.000 0.915 898 F CB 1.589 40.613 39.000 0.039 0.000 1.186 898 F HN 0.282 nan 8.300 nan 0.000 0.456 899 D N 1.712 122.270 120.400 0.263 0.000 3.801 899 D HA -0.321 4.464 4.640 0.241 0.000 0.209 899 D C 1.265 177.693 176.300 0.213 0.000 0.969 899 D CA 2.464 56.643 54.000 0.299 0.000 2.271 899 D CB -1.012 40.063 40.800 0.458 0.000 1.187 899 D HN 0.641 nan 8.370 nan 0.000 0.487 900 M N -3.393 116.264 119.600 0.094 0.000 2.801 900 M HA -0.293 4.332 4.480 0.241 0.000 0.146 900 M C 0.776 177.057 176.300 -0.032 0.000 0.699 900 M CA 1.785 57.016 55.300 -0.115 0.000 0.556 900 M CB -1.414 31.188 32.600 0.004 0.000 2.050 900 M HN 0.708 nan 8.290 nan 0.000 0.258 901 F N 0.344 120.243 119.950 -0.085 0.000 2.176 901 F HA -0.301 4.371 4.527 0.241 0.000 0.326 901 F C 0.586 176.382 175.800 -0.006 0.000 1.164 901 F CA 1.674 59.654 58.000 -0.033 0.000 0.945 901 F CB -0.347 38.627 39.000 -0.045 0.000 4.064 901 F HN 0.481 nan 8.300 nan 0.000 0.208 902 D N 1.267 121.399 120.400 -0.446 0.000 2.760 902 D HA 0.068 4.852 4.640 0.241 0.000 0.285 902 D C 0.487 176.705 176.300 -0.136 0.000 1.178 902 D CA 1.106 54.963 54.000 -0.239 0.000 1.031 902 D CB 0.183 40.829 40.800 -0.256 0.000 1.544 902 D HN 0.474 nan 8.370 nan 0.000 0.468 903 F N 0.000 119.647 119.950 -0.505 0.000 2.286 903 F HA 0.000 4.672 4.527 0.241 0.000 0.279 903 F CA 0.000 57.872 58.000 -0.213 0.000 1.383 903 F CB 0.000 39.038 39.000 0.062 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574