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 2ozm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSLYPSII RQVNISPETI AGTFKVAPLH DYINAVAERP DATA SEQUENCE SDVYSCSPNG MMYYKDRDGV VPTEITKVFN QRKEHKGYML AAQRNGEIIK DATA SEQUENCE EALHNPNLSV DEPLDVDYRF DFSDEIKEKI KKLSAKSLNE MLFRAQRTEV DATA SEQUENCE AGMTAQINRK LLINSLYGAL GNVWFRYYDL RNATAITTFG QMALQWIERK DATA SEQUENCE VNEYLNEVCG TEGEAFVLYG DTDSIYVSAD KIIDKVGESK FRDTNHWVDF DATA SEQUENCE LDKFARERME PAIDRGFREM CEYMNNKQHL MFMDREAIAG PPLGSKGIGG DATA SEQUENCE FWTGKKRYAL NVWDMEGTRY AEPKLKIMGL ETQKSSTPKA VQKALKECIR DATA SEQUENCE RMLQEGEESL QEYFKEFEKE FRQLNYISIA SVSSANNIAK YDVGGFPGPK DATA SEQUENCE CPFHIRGILT YNRAIKGNID APQVVEGEKV YVLPLREGNP FGDKCIAWPS DATA SEQUENCE GTEITDLIKD DVLHWMDYTV LLEKTFIKPL EGFTSAAKLD YEKKASLFDM DATA SEQUENCE FDF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.351 176.300 0.086 0.000 1.140 1 M CA 0.000 55.340 55.300 0.067 0.000 0.988 1 M CB 0.000 32.659 32.600 0.098 0.000 1.302 2 K N 1.472 121.929 120.400 0.095 0.000 2.380 2 K HA 0.222 4.547 4.320 0.009 0.000 0.267 2 K C -0.380 176.384 176.600 0.273 0.000 0.990 2 K CA -0.103 56.257 56.287 0.121 0.000 0.946 2 K CB 0.536 33.093 32.500 0.095 0.000 0.937 2 K HN 0.554 nan 8.250 nan 0.000 0.491 3 E N 1.983 122.388 120.200 0.340 0.000 2.354 3 E HA 0.167 4.522 4.350 0.009 0.000 0.269 3 E C -0.678 176.287 176.600 0.608 0.000 1.036 3 E CA -0.017 56.640 56.400 0.428 0.000 0.876 3 E CB 0.551 30.509 29.700 0.430 0.000 1.009 3 E HN 0.321 nan 8.360 nan 0.000 0.416 4 F N 0.597 120.733 119.950 0.309 0.000 2.619 4 F HA 0.406 4.939 4.527 0.009 0.000 0.308 4 F C -1.013 174.799 175.800 0.021 0.000 1.097 4 F CA -1.448 56.534 58.000 -0.031 0.000 0.953 4 F CB 0.485 39.312 39.000 -0.288 0.000 1.287 4 F HN 0.383 nan 8.300 nan 0.000 0.446 5 Y N 1.936 122.193 120.300 -0.072 0.000 2.295 5 Y HA 0.697 5.253 4.550 0.009 0.000 0.331 5 Y C -0.488 175.615 175.900 0.338 0.000 1.311 5 Y CA -0.836 57.347 58.100 0.139 0.000 1.430 5 Y CB 0.276 38.759 38.460 0.038 0.000 1.339 5 Y HN 0.616 nan 8.280 nan 0.000 0.552 6 L N 0.602 122.106 121.223 0.468 0.000 2.777 6 L HA 0.288 4.633 4.340 0.009 0.000 0.172 6 L C 0.533 177.637 176.870 0.390 0.000 1.179 6 L CA 1.327 56.378 54.840 0.353 0.000 0.859 6 L CB -0.519 41.681 42.059 0.234 0.000 1.269 6 L HN 0.978 nan 8.230 nan 0.000 0.511 7 T N -2.007 112.769 114.554 0.371 0.000 2.886 7 T HA 0.661 5.016 4.350 0.009 0.000 0.292 7 T C -0.965 173.912 174.700 0.296 0.000 1.012 7 T CA -0.610 61.669 62.100 0.298 0.000 0.982 7 T CB 2.076 71.076 68.868 0.219 0.000 1.018 7 T HN -0.054 nan 8.240 nan 0.000 0.451 8 V N 2.083 122.116 119.914 0.198 0.000 2.628 8 V HA 0.788 4.913 4.120 0.009 0.000 0.306 8 V C -1.277 174.886 176.094 0.115 0.000 1.045 8 V CA -0.422 61.959 62.300 0.136 0.000 0.905 8 V CB 1.671 33.522 31.823 0.046 0.000 0.997 8 V HN 1.054 nan 8.190 nan 0.000 0.436 9 E N 3.777 124.058 120.200 0.135 0.000 2.416 9 E HA 0.402 4.757 4.350 0.009 0.000 0.273 9 E C -1.590 175.100 176.600 0.150 0.000 0.935 9 E CA -0.642 55.870 56.400 0.186 0.000 0.784 9 E CB 2.357 32.278 29.700 0.368 0.000 1.301 9 E HN 0.725 nan 8.360 nan 0.000 0.454 10 Q N 1.763 121.685 119.800 0.203 0.000 2.363 10 Q HA 0.452 4.797 4.340 0.009 0.000 0.265 10 Q C -1.239 174.863 176.000 0.171 0.000 1.032 10 Q CA -0.350 55.551 55.803 0.164 0.000 0.746 10 Q CB 0.662 29.489 28.738 0.149 0.000 1.237 10 Q HN 0.486 nan 8.270 nan 0.000 0.475 11 I N 4.720 125.373 120.570 0.137 0.000 2.371 11 I HA 0.378 4.554 4.170 0.009 0.000 0.282 11 I C 0.892 177.049 176.117 0.065 0.000 1.031 11 I CA -0.079 61.225 61.300 0.007 0.000 1.180 11 I CB 1.105 38.985 38.000 -0.200 0.000 1.336 11 I HN 0.994 nan 8.210 nan 0.000 0.467 12 G N 5.421 114.242 108.800 0.035 0.000 2.591 12 G HA2 -0.304 3.661 3.960 0.009 0.000 0.298 12 G HA3 -0.304 3.661 3.960 0.009 0.000 0.298 12 G C 0.585 175.513 174.900 0.046 0.000 1.195 12 G CA 0.428 45.550 45.100 0.036 0.000 0.989 12 G HN 0.573 nan 8.290 nan 0.000 0.551 13 D N 1.113 121.532 120.400 0.031 0.000 2.349 13 D HA 0.274 4.919 4.640 0.009 0.000 0.224 13 D C 0.924 177.228 176.300 0.006 0.000 1.029 13 D CA 1.252 55.257 54.000 0.008 0.000 0.879 13 D CB 0.387 41.185 40.800 -0.005 0.000 0.906 13 D HN 0.253 nan 8.370 nan 0.000 0.528 14 S N -0.195 115.526 115.700 0.035 0.000 2.600 14 S HA 0.563 5.038 4.470 0.009 0.000 0.300 14 S C -0.617 173.983 174.600 -0.001 0.000 1.087 14 S CA -0.669 57.518 58.200 -0.020 0.000 0.965 14 S CB 1.551 64.695 63.200 -0.094 0.000 1.089 14 S HN -0.063 nan 8.310 nan 0.000 0.496 15 I N 3.117 123.588 120.570 -0.165 0.000 2.354 15 I HA 0.366 4.542 4.170 0.009 0.000 0.292 15 I C -1.307 174.624 176.117 -0.311 0.000 0.989 15 I CA -0.491 60.666 61.300 -0.239 0.000 1.188 15 I CB 1.086 38.717 38.000 -0.615 0.000 1.342 15 I HN 0.502 nan 8.210 nan 0.000 0.457 16 F N 5.134 124.931 119.950 -0.255 0.000 2.361 16 F HA 0.342 4.874 4.527 0.009 0.000 0.364 16 F C 0.475 176.209 175.800 -0.111 0.000 1.120 16 F CA -0.533 57.290 58.000 -0.295 0.000 1.102 16 F CB 0.959 39.530 39.000 -0.715 0.000 1.183 16 F HN 0.400 nan 8.300 nan 0.000 0.476 17 E N 4.339 124.607 120.200 0.113 0.000 2.199 17 E HA 0.527 4.883 4.350 0.009 0.000 0.269 17 E C -0.871 175.979 176.600 0.416 0.000 0.899 17 E CA -0.858 55.702 56.400 0.266 0.000 0.772 17 E CB 1.186 31.041 29.700 0.259 0.000 1.155 17 E HN 0.578 nan 8.360 nan 0.000 0.408 18 R N 2.713 123.481 120.500 0.447 0.000 2.474 18 R HA 0.457 4.803 4.340 0.009 0.000 0.295 18 R C -1.196 175.400 176.300 0.493 0.000 0.980 18 R CA -0.593 55.756 56.100 0.415 0.000 0.934 18 R CB 1.119 31.584 30.300 0.276 0.000 1.101 18 R HN 0.524 nan 8.270 nan 0.000 0.469 19 Y N -0.790 119.582 120.300 0.120 0.000 2.677 19 Y HA 0.492 5.047 4.550 0.009 0.000 0.334 19 Y C -1.576 174.259 175.900 -0.108 0.000 1.196 19 Y CA -1.524 56.602 58.100 0.043 0.000 1.059 19 Y CB 0.531 39.102 38.460 0.185 0.000 1.315 19 Y HN 0.315 nan 8.280 nan 0.000 0.455 20 I N 3.654 123.994 120.570 -0.384 0.000 2.396 20 I HA 0.259 4.435 4.170 0.009 0.000 0.292 20 I C 0.078 176.073 176.117 -0.204 0.000 0.999 20 I CA 0.106 61.128 61.300 -0.463 0.000 1.310 20 I CB 0.761 38.321 38.000 -0.734 0.000 1.404 20 I HN 0.817 nan 8.210 nan 0.000 0.496 21 D N 3.264 123.558 120.400 -0.177 0.000 2.469 21 D HA 0.164 4.809 4.640 0.009 0.000 0.278 21 D C 1.078 177.410 176.300 0.054 0.000 1.231 21 D CA -0.334 53.673 54.000 0.012 0.000 1.075 21 D CB 0.021 40.802 40.800 -0.032 0.000 1.121 21 D HN 0.341 nan 8.370 nan 0.000 0.571 22 S N -0.848 114.897 115.700 0.075 0.000 2.387 22 S HA -0.146 4.329 4.470 0.009 0.000 0.230 22 S C 1.313 175.938 174.600 0.042 0.000 1.035 22 S CA 1.305 59.543 58.200 0.063 0.000 1.014 22 S CB -0.456 62.776 63.200 0.052 0.000 0.836 22 S HN 0.465 nan 8.310 nan 0.000 0.466 23 N N -0.523 118.190 118.700 0.021 0.000 2.368 23 N HA 0.177 4.923 4.740 0.009 0.000 0.178 23 N C 1.156 176.670 175.510 0.008 0.000 1.076 23 N CA 0.918 53.976 53.050 0.013 0.000 0.889 23 N CB 0.665 39.155 38.487 0.005 0.000 1.040 23 N HN 0.486 nan 8.380 nan 0.000 0.463 24 G N -0.190 108.603 108.800 -0.012 0.000 2.148 24 G HA2 -0.088 3.877 3.960 0.009 0.000 0.120 24 G HA3 -0.088 3.877 3.960 0.009 0.000 0.120 24 G C 0.087 174.953 174.900 -0.056 0.000 1.034 24 G CA 0.009 45.097 45.100 -0.020 0.000 0.710 24 G HN 0.651 nan 8.290 nan 0.000 0.495 25 R N 0.515 120.965 120.500 -0.084 0.000 2.428 25 R HA 0.837 5.182 4.340 0.009 0.000 0.294 25 R C 0.119 176.306 176.300 -0.189 0.000 1.000 25 R CA 0.137 56.173 56.100 -0.107 0.000 0.960 25 R CB 0.699 30.948 30.300 -0.085 0.000 1.076 25 R HN 0.549 nan 8.270 nan 0.000 0.475 26 E N 1.922 122.016 120.200 -0.176 0.000 2.289 26 E HA 0.260 4.616 4.350 0.009 0.000 0.278 26 E C -0.570 175.876 176.600 -0.257 0.000 1.032 26 E CA -0.391 55.871 56.400 -0.228 0.000 0.854 26 E CB 0.508 30.124 29.700 -0.140 0.000 1.046 26 E HN 0.517 nan 8.360 nan 0.000 0.409 27 R N 2.121 122.364 120.500 -0.428 0.000 3.045 27 R HA 0.589 4.935 4.340 0.009 0.000 0.245 27 R C -0.718 175.521 176.300 -0.101 0.000 1.333 27 R CA -0.736 55.166 56.100 -0.331 0.000 1.036 27 R CB 1.385 31.387 30.300 -0.496 0.000 1.340 27 R HN 0.560 nan 8.270 nan 0.000 0.488 28 T N 0.660 115.293 114.554 0.132 0.000 2.883 28 T HA 0.636 4.991 4.350 0.009 0.000 0.301 28 T C -0.599 174.285 174.700 0.306 0.000 1.158 28 T CA -0.890 61.388 62.100 0.296 0.000 1.007 28 T CB 2.544 71.567 68.868 0.258 0.000 1.186 28 T HN 0.265 nan 8.240 nan 0.000 0.499 29 R N 0.476 121.105 120.500 0.215 0.000 2.740 29 R HA 0.536 4.882 4.340 0.009 0.000 0.273 29 R C -1.204 174.967 176.300 -0.216 0.000 0.998 29 R CA -0.824 55.300 56.100 0.041 0.000 0.900 29 R CB 2.486 32.811 30.300 0.042 0.000 1.223 29 R HN 0.679 nan 8.270 nan 0.000 0.466 30 E N 2.248 122.267 120.200 -0.302 0.000 2.593 30 E HA 0.215 4.570 4.350 0.009 0.000 0.232 30 E C -1.366 175.042 176.600 -0.320 0.000 1.026 30 E CA -0.352 55.703 56.400 -0.575 0.000 0.772 30 E CB 1.444 30.749 29.700 -0.658 0.000 1.310 30 E HN 0.220 nan 8.360 nan 0.000 0.413 31 V N 3.754 123.512 119.914 -0.261 0.000 2.364 31 V HA 0.127 4.253 4.120 0.009 0.000 0.272 31 V C 0.324 176.375 176.094 -0.073 0.000 1.036 31 V CA -0.611 61.632 62.300 -0.095 0.000 0.880 31 V CB 1.245 33.105 31.823 0.062 0.000 0.991 31 V HN 0.622 nan 8.190 nan 0.000 0.460 32 E N 4.203 124.378 120.200 -0.041 0.000 1.858 32 E HA 0.030 4.386 4.350 0.009 0.000 0.278 32 E C -0.494 176.127 176.600 0.035 0.000 1.172 32 E CA -0.097 56.290 56.400 -0.021 0.000 1.127 32 E CB -0.325 29.353 29.700 -0.037 0.000 1.084 32 E HN 0.527 nan 8.360 nan 0.000 0.455 33 Y N 2.614 122.872 120.300 -0.069 0.000 2.544 33 Y HA 0.046 4.602 4.550 0.009 0.000 0.330 33 Y C -0.173 175.695 175.900 -0.054 0.000 1.136 33 Y CA 0.024 58.114 58.100 -0.017 0.000 1.417 33 Y CB 0.480 38.949 38.460 0.016 0.000 1.229 33 Y HN 0.138 nan 8.280 nan 0.000 0.532 34 K N 9.310 129.389 120.400 -0.536 0.000 2.300 34 K HA 0.287 4.613 4.320 0.009 0.000 0.264 34 K C -2.515 173.644 176.600 -0.735 0.000 1.083 34 K CA -1.803 54.199 56.287 -0.475 0.000 0.958 34 K CB 0.594 32.937 32.500 -0.263 0.000 1.318 34 K HN 0.466 nan 8.250 nan 0.000 0.448 35 P HA 0.189 nan 4.420 nan 0.000 0.278 35 P C -0.829 176.376 177.300 -0.160 0.000 1.258 35 P CA -0.709 62.119 63.100 -0.453 0.000 0.811 35 P CB 1.255 32.748 31.700 -0.345 0.000 1.063 36 S N 0.620 116.287 115.700 -0.055 0.000 2.707 36 S HA 0.468 4.943 4.470 0.009 0.000 0.312 36 S C 0.092 174.626 174.600 -0.110 0.000 1.116 36 S CA -0.489 57.644 58.200 -0.111 0.000 1.078 36 S CB 0.192 63.250 63.200 -0.237 0.000 0.997 36 S HN 0.262 nan 8.310 nan 0.000 0.477 37 L N 2.110 123.269 121.223 -0.107 0.000 2.492 37 L HA 0.731 5.076 4.340 0.009 0.000 0.263 37 L C -1.008 175.656 176.870 -0.345 0.000 1.062 37 L CA -0.800 54.042 54.840 0.003 0.000 0.817 37 L CB 0.678 42.831 42.059 0.155 0.000 1.441 37 L HN 0.483 nan 8.230 nan 0.000 0.493 38 F N -0.411 119.623 119.950 0.139 0.000 2.599 38 F HA 0.738 5.271 4.527 0.009 0.000 0.311 38 F C -0.093 175.908 175.800 0.336 0.000 1.076 38 F CA -0.668 57.409 58.000 0.128 0.000 0.937 38 F CB 1.981 41.037 39.000 0.094 0.000 1.282 38 F HN 0.326 nan 8.300 nan 0.000 0.460 39 A N 0.785 123.875 122.820 0.450 0.000 2.414 39 A HA 0.530 4.856 4.320 0.009 0.000 0.306 39 A C -1.137 176.685 177.584 0.397 0.000 1.054 39 A CA -0.618 51.690 52.037 0.452 0.000 0.724 39 A CB 0.719 19.990 19.000 0.451 0.000 1.267 39 A HN 0.889 nan 8.150 nan 0.000 0.418 40 H N -0.164 119.023 119.070 0.195 0.000 2.897 40 H HA 0.288 4.849 4.556 0.009 0.000 0.347 40 H C 0.418 175.817 175.328 0.118 0.000 1.068 40 H CA 1.030 57.164 56.048 0.144 0.000 1.426 40 H CB 0.563 30.395 29.762 0.118 0.000 1.410 40 H HN 0.926 nan 8.280 nan 0.000 0.597 41 C N 3.035 122.428 119.300 0.154 0.000 3.154 41 C HA 0.533 4.999 4.460 0.009 0.000 0.312 41 C C -2.471 172.563 174.990 0.073 0.000 1.349 41 C CA -2.185 56.896 59.018 0.105 0.000 1.518 41 C CB 1.376 29.161 27.740 0.075 0.000 1.934 41 C HN 0.578 nan 8.230 nan 0.000 0.462 42 P HA 0.307 nan 4.420 nan 0.000 0.269 42 P C 0.803 178.132 177.300 0.048 0.000 1.209 42 P CA 1.030 64.162 63.100 0.054 0.000 0.776 42 P CB 0.391 32.118 31.700 0.046 0.000 0.876 43 E N 1.808 122.040 120.200 0.054 0.000 2.118 43 E HA -0.218 4.137 4.350 0.009 0.000 0.195 43 E C 1.957 178.592 176.600 0.059 0.000 0.992 43 E CA 2.107 58.546 56.400 0.065 0.000 0.804 43 E CB -1.388 28.352 29.700 0.066 0.000 0.741 43 E HN 0.639 nan 8.360 nan 0.000 0.458 44 S N -0.278 115.449 115.700 0.046 0.000 2.440 44 S HA -0.154 4.322 4.470 0.009 0.000 0.238 44 S C 1.315 175.936 174.600 0.034 0.000 1.010 44 S CA 0.935 59.157 58.200 0.038 0.000 0.972 44 S CB -0.210 63.008 63.200 0.031 0.000 0.774 44 S HN 0.615 nan 8.310 nan 0.000 0.501 45 Q N 1.517 121.335 119.800 0.031 0.000 2.293 45 Q HA 0.539 4.884 4.340 0.009 0.000 0.263 45 Q C -0.333 175.677 176.000 0.017 0.000 1.002 45 Q CA -0.374 55.441 55.803 0.021 0.000 0.910 45 Q CB 0.972 29.720 28.738 0.017 0.000 1.185 45 Q HN 0.561 nan 8.270 nan 0.000 0.401 46 A N 3.612 126.441 122.820 0.016 0.000 2.440 46 A HA 0.413 4.739 4.320 0.009 0.000 0.251 46 A C 0.003 177.578 177.584 -0.016 0.000 1.089 46 A CA 0.196 52.243 52.037 0.016 0.000 0.779 46 A CB 1.005 20.017 19.000 0.020 0.000 1.022 46 A HN 0.711 nan 8.150 nan 0.000 0.492 47 T N 0.139 114.662 114.554 -0.051 0.000 2.792 47 T HA 0.425 4.780 4.350 0.009 0.000 0.303 47 T C 0.572 175.167 174.700 -0.176 0.000 1.310 47 T CA -0.318 61.707 62.100 -0.125 0.000 1.007 47 T CB 1.530 70.270 68.868 -0.213 0.000 1.335 47 T HN 0.681 nan 8.240 nan 0.000 0.504 48 K N 0.209 120.457 120.400 -0.253 0.000 2.335 48 K HA 0.228 4.554 4.320 0.009 0.000 0.195 48 K C -0.632 175.715 176.600 -0.421 0.000 1.058 48 K CA 0.155 56.239 56.287 -0.338 0.000 0.988 48 K CB 0.249 32.440 32.500 -0.516 0.000 0.880 48 K HN 0.552 nan 8.250 nan 0.000 0.513 49 Y N 0.171 120.335 120.300 -0.227 0.000 2.326 49 Y HA 0.348 4.904 4.550 0.009 0.000 0.337 49 Y C -0.529 175.062 175.900 -0.516 0.000 1.023 49 Y CA -0.727 57.261 58.100 -0.186 0.000 1.143 49 Y CB 0.659 39.153 38.460 0.057 0.000 1.183 49 Y HN -0.170 nan 8.280 nan 0.000 0.485 50 F N 1.663 121.683 119.950 0.117 0.000 2.576 50 F HA 0.326 4.858 4.527 0.009 0.000 0.313 50 F C 0.045 175.854 175.800 0.014 0.000 1.078 50 F CA -1.392 56.637 58.000 0.048 0.000 0.921 50 F CB 1.400 40.411 39.000 0.017 0.000 1.232 50 F HN 0.492 nan 8.300 nan 0.000 0.459 51 D N 1.039 121.559 120.400 0.200 0.000 2.398 51 D HA 0.094 4.740 4.640 0.009 0.000 0.264 51 D C 1.224 177.576 176.300 0.085 0.000 1.263 51 D CA -0.234 53.850 54.000 0.139 0.000 1.037 51 D CB 0.282 41.219 40.800 0.229 0.000 1.101 51 D HN 0.590 nan 8.370 nan 0.000 0.551 52 I N -3.483 117.057 120.570 -0.049 0.000 2.676 52 I HA -0.074 4.102 4.170 0.009 0.000 0.259 52 I C 1.149 177.091 176.117 -0.292 0.000 1.194 52 I CA 0.638 61.802 61.300 -0.227 0.000 1.473 52 I CB -0.533 37.258 38.000 -0.348 0.000 1.096 52 I HN 0.173 nan 8.210 nan 0.000 0.443 53 Y N 2.019 122.381 120.300 0.103 0.000 2.511 53 Y HA 0.414 4.969 4.550 0.009 0.000 0.279 53 Y C 2.097 178.033 175.900 0.059 0.000 1.157 53 Y CA 0.378 58.530 58.100 0.087 0.000 1.300 53 Y CB 0.137 38.658 38.460 0.102 0.000 1.052 53 Y HN 0.386 nan 8.280 nan 0.000 0.529 54 G N -0.181 108.714 108.800 0.158 0.000 2.232 54 G HA2 -0.248 3.718 3.960 0.009 0.000 0.226 54 G HA3 -0.248 3.718 3.960 0.009 0.000 0.226 54 G C 0.313 175.331 174.900 0.197 0.000 0.996 54 G CA -0.459 44.689 45.100 0.080 0.000 0.626 54 G HN 0.263 nan 8.290 nan 0.000 0.509 55 K N 2.578 123.093 120.400 0.191 0.000 2.412 55 K HA 0.359 4.684 4.320 0.009 0.000 0.281 55 K C -2.202 174.445 176.600 0.077 0.000 1.027 55 K CA -0.982 55.367 56.287 0.104 0.000 0.989 55 K CB 1.039 33.522 32.500 -0.029 0.000 0.935 55 K HN 0.209 nan 8.250 nan 0.000 0.475 56 P HA 0.091 nan 4.420 nan 0.000 0.275 56 P C -0.577 176.641 177.300 -0.137 0.000 1.227 56 P CA -0.414 62.633 63.100 -0.087 0.000 0.781 56 P CB 0.742 32.407 31.700 -0.058 0.000 0.906 57 C N 1.323 120.557 119.300 -0.110 0.000 2.667 57 C HA 0.711 5.177 4.460 0.009 0.000 0.323 57 C C 0.552 175.625 174.990 0.139 0.000 1.214 57 C CA -0.177 58.894 59.018 0.088 0.000 1.721 57 C CB 1.911 29.782 27.740 0.219 0.000 2.275 57 C HN 0.605 nan 8.230 nan 0.000 0.491 58 T N 0.979 115.634 114.554 0.167 0.000 2.829 58 T HA 0.471 4.827 4.350 0.009 0.000 0.280 58 T C -0.453 174.219 174.700 -0.046 0.000 0.999 58 T CA -0.428 61.724 62.100 0.087 0.000 0.983 58 T CB 0.603 69.490 68.868 0.032 0.000 0.968 58 T HN 0.734 nan 8.240 nan 0.000 0.446 59 R N 3.127 123.473 120.500 -0.256 0.000 2.490 59 R HA 0.402 4.747 4.340 0.009 0.000 0.280 59 R C -0.415 175.558 176.300 -0.544 0.000 1.077 59 R CA -0.378 55.268 56.100 -0.757 0.000 1.065 59 R CB 0.446 30.231 30.300 -0.858 0.000 1.003 59 R HN 0.557 nan 8.270 nan 0.000 0.470 60 K N 4.613 124.620 120.400 -0.654 0.000 2.413 60 K HA 0.267 4.592 4.320 0.009 0.000 0.257 60 K C -0.960 175.276 176.600 -0.606 0.000 0.946 60 K CA -0.733 55.165 56.287 -0.648 0.000 0.823 60 K CB 1.642 33.628 32.500 -0.857 0.000 1.109 60 K HN 0.369 nan 8.250 nan 0.000 0.427 61 L N 4.176 125.064 121.223 -0.559 0.000 2.350 61 L HA 0.483 4.829 4.340 0.009 0.000 0.275 61 L C -1.136 175.395 176.870 -0.565 0.000 1.099 61 L CA -0.069 54.536 54.840 -0.393 0.000 0.808 61 L CB 0.327 42.216 42.059 -0.283 0.000 1.149 61 L HN 0.490 nan 8.230 nan 0.000 0.442 62 F N 2.022 121.785 119.950 -0.312 0.000 2.532 62 F HA 0.448 4.981 4.527 0.009 0.000 0.321 62 F C 1.113 176.772 175.800 -0.234 0.000 1.089 62 F CA -0.398 57.436 58.000 -0.276 0.000 0.926 62 F CB 1.805 40.627 39.000 -0.298 0.000 1.168 62 F HN 0.632 nan 8.300 nan 0.000 0.459 63 A N 2.595 125.399 122.820 -0.027 0.000 1.908 63 A HA -0.095 4.231 4.320 0.009 0.000 0.218 63 A C 0.293 177.841 177.584 -0.059 0.000 1.181 63 A CA 2.184 54.189 52.037 -0.054 0.000 0.627 63 A CB -0.913 18.061 19.000 -0.044 0.000 0.818 63 A HN 0.901 nan 8.150 nan 0.000 0.445 64 N N -4.898 113.774 118.700 -0.046 0.000 2.927 64 N HA 0.434 5.179 4.740 0.009 0.000 0.248 64 N C -0.065 175.329 175.510 -0.194 0.000 1.443 64 N CA -0.467 52.520 53.050 -0.104 0.000 0.870 64 N CB 0.372 38.819 38.487 -0.067 0.000 1.444 64 N HN -0.057 nan 8.380 nan 0.000 0.519 65 M N -0.561 118.871 119.600 -0.280 0.000 2.279 65 M HA -0.023 4.463 4.480 0.009 0.000 0.264 65 M C 2.026 178.141 176.300 -0.309 0.000 1.062 65 M CA 1.176 56.155 55.300 -0.534 0.000 1.099 65 M CB -0.216 32.116 32.600 -0.446 0.000 1.394 65 M HN 0.567 nan 8.290 nan 0.000 0.426 66 R N 0.903 121.328 120.500 -0.124 0.000 2.092 66 R HA -0.144 4.201 4.340 0.009 0.000 0.231 66 R C 1.102 177.395 176.300 -0.013 0.000 1.119 66 R CA 1.676 57.757 56.100 -0.032 0.000 0.970 66 R CB -0.367 29.930 30.300 -0.005 0.000 0.864 66 R HN 0.359 nan 8.270 nan 0.000 0.440 67 D N 0.312 120.707 120.400 -0.008 0.000 2.183 67 D HA -0.064 4.582 4.640 0.009 0.000 0.203 67 D C 1.698 178.033 176.300 0.059 0.000 0.969 67 D CA 1.225 55.281 54.000 0.094 0.000 0.842 67 D CB -0.199 40.706 40.800 0.175 0.000 0.957 67 D HN 0.289 nan 8.370 nan 0.000 0.484 68 A N 0.624 123.263 122.820 -0.301 0.000 1.933 68 A HA -0.124 4.202 4.320 0.009 0.000 0.218 68 A C 2.391 179.849 177.584 -0.210 0.000 1.175 68 A CA 1.576 53.087 52.037 -0.876 0.000 0.628 68 A CB -0.345 17.985 19.000 -1.118 0.000 0.814 68 A HN 0.159 nan 8.150 nan 0.000 0.444 69 S N -0.374 115.332 115.700 0.009 0.000 2.414 69 S HA -0.104 4.372 4.470 0.009 0.000 0.227 69 S C 2.059 176.729 174.600 0.117 0.000 1.022 69 S CA 0.921 59.215 58.200 0.156 0.000 0.958 69 S CB -0.215 63.094 63.200 0.181 0.000 0.797 69 S HN 0.586 nan 8.310 nan 0.000 0.493 70 Q N 0.098 119.965 119.800 0.112 0.000 2.050 70 Q HA -0.138 4.208 4.340 0.009 0.000 0.202 70 Q C 1.844 177.944 176.000 0.167 0.000 0.980 70 Q CA 1.246 57.121 55.803 0.120 0.000 0.840 70 Q CB -0.472 28.341 28.738 0.126 0.000 0.898 70 Q HN 0.736 nan 8.270 nan 0.000 0.424 71 W N 1.584 122.920 121.300 0.060 0.000 2.338 71 W HA -0.172 4.494 4.660 0.009 0.000 0.304 71 W C 1.894 178.452 176.519 0.066 0.000 1.212 71 W CA 1.334 58.748 57.345 0.114 0.000 1.264 71 W CB -0.394 29.241 29.460 0.292 0.000 1.142 71 W HN 0.039 nan 8.180 nan 0.000 0.512 72 I N 1.406 122.025 120.570 0.081 0.000 2.127 72 I HA -0.409 3.767 4.170 0.009 0.000 0.241 72 I C 2.566 178.575 176.117 -0.180 0.000 1.075 72 I CA 2.403 63.637 61.300 -0.109 0.000 1.334 72 I CB -0.775 37.256 38.000 0.051 0.000 1.040 72 I HN 0.058 nan 8.210 nan 0.000 0.405 73 K N 0.785 121.135 120.400 -0.083 0.000 2.148 73 K HA -0.171 4.155 4.320 0.009 0.000 0.204 73 K C 2.289 178.819 176.600 -0.117 0.000 1.050 73 K CA 1.100 57.339 56.287 -0.080 0.000 0.942 73 K CB -0.389 32.093 32.500 -0.030 0.000 0.724 73 K HN 0.189 nan 8.250 nan 0.000 0.446 74 R N 0.131 120.550 120.500 -0.135 0.000 2.115 74 R HA 0.052 4.397 4.340 0.009 0.000 0.230 74 R C 2.104 178.257 176.300 -0.246 0.000 1.111 74 R CA 1.155 57.166 56.100 -0.150 0.000 0.976 74 R CB -0.021 30.216 30.300 -0.105 0.000 0.870 74 R HN 0.264 nan 8.270 nan 0.000 0.445 75 M N 0.132 119.485 119.600 -0.411 0.000 2.319 75 M HA -0.069 4.416 4.480 0.009 0.000 0.265 75 M C 1.366 177.507 176.300 -0.265 0.000 1.068 75 M CA 1.304 56.335 55.300 -0.449 0.000 1.118 75 M CB -0.193 31.959 32.600 -0.746 0.000 1.395 75 M HN 0.005 nan 8.290 nan 0.000 0.435 76 E N -0.073 120.001 120.200 -0.210 0.000 2.276 76 E HA -0.045 4.310 4.350 0.009 0.000 0.193 76 E C 1.206 177.739 176.600 -0.112 0.000 0.983 76 E CA 0.513 56.826 56.400 -0.146 0.000 0.861 76 E CB -0.094 29.532 29.700 -0.125 0.000 0.817 76 E HN 0.363 nan 8.360 nan 0.000 0.485 77 D N 0.402 120.738 120.400 -0.106 0.000 2.309 77 D HA -0.055 4.591 4.640 0.009 0.000 0.212 77 D C 1.636 177.892 176.300 -0.074 0.000 0.968 77 D CA 0.668 54.621 54.000 -0.078 0.000 0.882 77 D CB 0.156 40.916 40.800 -0.066 0.000 0.918 77 D HN 0.253 nan 8.370 nan 0.000 0.503 78 I N -1.886 118.629 120.570 -0.091 0.000 3.616 78 I HA 0.175 4.351 4.170 0.009 0.000 0.296 78 I C 1.361 177.432 176.117 -0.076 0.000 1.226 78 I CA 0.437 61.691 61.300 -0.077 0.000 1.394 78 I CB 0.571 38.522 38.000 -0.081 0.000 1.171 78 I HN 0.038 nan 8.210 nan 0.000 0.442 79 G N 1.981 110.724 108.800 -0.095 0.000 2.145 79 G HA2 -0.158 3.808 3.960 0.009 0.000 0.176 79 G HA3 -0.158 3.808 3.960 0.009 0.000 0.176 79 G C -0.272 174.568 174.900 -0.099 0.000 1.013 79 G CA -0.536 44.510 45.100 -0.091 0.000 0.689 79 G HN 0.151 nan 8.290 nan 0.000 0.506 80 L N 0.396 121.547 121.223 -0.121 0.000 2.346 80 L HA 0.557 4.902 4.340 0.009 0.000 0.274 80 L C 0.679 177.455 176.870 -0.157 0.000 1.007 80 L CA -0.949 53.816 54.840 -0.124 0.000 0.818 80 L CB 1.881 43.883 42.059 -0.096 0.000 1.284 80 L HN 0.266 nan 8.230 nan 0.000 0.424 81 E N 2.080 122.183 120.200 -0.161 0.000 2.417 81 E HA 0.219 4.574 4.350 0.009 0.000 0.261 81 E C -0.576 175.971 176.600 -0.088 0.000 1.000 81 E CA -0.362 55.950 56.400 -0.147 0.000 0.919 81 E CB 0.905 30.480 29.700 -0.209 0.000 0.955 81 E HN 0.616 nan 8.360 nan 0.000 0.455 82 A N 6.073 128.845 122.820 -0.080 0.000 2.366 82 A HA 0.338 4.664 4.320 0.009 0.000 0.322 82 A C -0.750 176.940 177.584 0.176 0.000 1.397 82 A CA -0.599 51.444 52.037 0.011 0.000 0.984 82 A CB 0.047 18.952 19.000 -0.159 0.000 1.149 82 A HN 0.526 nan 8.150 nan 0.000 0.540 83 L N 2.006 123.414 121.223 0.308 0.000 2.399 83 L HA 0.837 5.182 4.340 0.009 0.000 0.265 83 L C 1.035 178.128 176.870 0.372 0.000 1.089 83 L CA 1.134 56.147 54.840 0.289 0.000 0.802 83 L CB 0.918 43.160 42.059 0.305 0.000 1.180 83 L HN 1.149 nan 8.230 nan 0.000 0.454 84 G N 1.139 110.093 108.800 0.257 0.000 2.434 84 G HA2 -0.053 3.913 3.960 0.009 0.000 0.671 84 G HA3 -0.053 3.913 3.960 0.009 0.000 0.671 84 G C -1.002 173.965 174.900 0.111 0.000 1.280 84 G CA -0.951 44.322 45.100 0.288 0.000 0.975 84 G HN 0.401 nan 8.290 nan 0.000 0.510 85 M N 2.695 122.316 119.600 0.034 0.000 2.201 85 M HA 0.199 4.684 4.480 0.009 0.000 0.345 85 M C 1.548 177.740 176.300 -0.180 0.000 1.352 85 M CA -0.173 54.985 55.300 -0.237 0.000 1.218 85 M CB 0.188 32.386 32.600 -0.670 0.000 1.512 85 M HN 0.773 nan 8.290 nan 0.000 0.447 86 D N 1.872 122.126 120.400 -0.244 0.000 2.224 86 D HA -0.130 4.515 4.640 0.009 0.000 0.205 86 D C 0.125 175.900 176.300 -0.875 0.000 0.965 86 D CA 0.486 54.227 54.000 -0.432 0.000 0.852 86 D CB 0.020 40.666 40.800 -0.256 0.000 0.947 86 D HN 0.390 nan 8.370 nan 0.000 0.494 87 D N -0.104 119.967 120.400 -0.548 0.000 2.402 87 D HA 0.009 4.655 4.640 0.009 0.000 0.235 87 D C 0.409 176.494 176.300 -0.359 0.000 1.226 87 D CA -0.510 53.209 54.000 -0.468 0.000 0.918 87 D CB 0.068 40.720 40.800 -0.246 0.000 1.043 87 D HN -0.070 nan 8.370 nan 0.000 0.506 88 F N 2.607 122.555 119.950 -0.003 0.000 2.293 88 F HA -0.012 4.520 4.527 0.009 0.000 0.300 88 F C 2.269 178.050 175.800 -0.033 0.000 1.086 88 F CA 0.429 58.459 58.000 0.049 0.000 1.375 88 F CB -0.377 38.702 39.000 0.132 0.000 1.045 88 F HN 0.268 nan 8.300 nan 0.000 0.516 89 K N 0.698 121.142 120.400 0.074 0.000 2.020 89 K HA -0.192 4.133 4.320 0.009 0.000 0.212 89 K C 2.060 178.677 176.600 0.028 0.000 1.050 89 K CA 1.670 57.964 56.287 0.012 0.000 0.929 89 K CB -0.663 31.833 32.500 -0.007 0.000 0.714 89 K HN 0.288 nan 8.250 nan 0.000 0.443 90 L N 0.186 121.409 121.223 0.001 0.000 2.083 90 L HA -0.188 4.157 4.340 0.009 0.000 0.209 90 L C 2.542 179.498 176.870 0.143 0.000 1.083 90 L CA 1.045 55.907 54.840 0.036 0.000 0.752 90 L CB -0.488 41.557 42.059 -0.024 0.000 0.899 90 L HN 0.252 nan 8.230 nan 0.000 0.433 91 A N -0.699 122.192 122.820 0.118 0.000 1.897 91 A HA -0.262 4.063 4.320 0.009 0.000 0.215 91 A C 2.183 179.880 177.584 0.188 0.000 1.181 91 A CA 1.246 53.454 52.037 0.284 0.000 0.620 91 A CB -0.844 18.368 19.000 0.352 0.000 0.821 91 A HN 0.468 nan 8.150 nan 0.000 0.443 92 Y N 0.770 120.899 120.300 -0.285 0.000 2.165 92 Y HA -0.218 4.338 4.550 0.009 0.000 0.286 92 Y C 1.895 177.676 175.900 -0.199 0.000 1.155 92 Y CA 1.998 59.718 58.100 -0.632 0.000 1.164 92 Y CB -0.302 37.599 38.460 -0.933 0.000 0.978 92 Y HN 0.216 nan 8.280 nan 0.000 0.513 93 L N -0.899 120.265 121.223 -0.099 0.000 2.046 93 L HA -0.223 4.123 4.340 0.009 0.000 0.208 93 L C 2.834 179.698 176.870 -0.009 0.000 1.077 93 L CA 1.648 56.440 54.840 -0.080 0.000 0.747 93 L CB -0.924 41.065 42.059 -0.118 0.000 0.896 93 L HN 0.241 nan 8.230 nan 0.000 0.432 94 S N -0.464 115.273 115.700 0.062 0.000 2.382 94 S HA -0.196 4.280 4.470 0.009 0.000 0.228 94 S C 1.579 176.187 174.600 0.012 0.000 1.027 94 S CA 1.557 59.802 58.200 0.075 0.000 0.991 94 S CB -0.182 63.142 63.200 0.206 0.000 0.823 94 S HN 0.383 nan 8.310 nan 0.000 0.469 95 D N 0.585 120.987 120.400 0.003 0.000 2.091 95 D HA -0.020 4.626 4.640 0.009 0.000 0.199 95 D C 2.163 178.366 176.300 -0.162 0.000 0.980 95 D CA 1.614 55.604 54.000 -0.017 0.000 0.831 95 D CB -0.921 39.936 40.800 0.095 0.000 0.987 95 D HN 0.393 nan 8.370 nan 0.000 0.460 96 T N -0.356 113.973 114.554 -0.376 0.000 2.708 96 T HA -0.154 4.202 4.350 0.009 0.000 0.266 96 T C 0.544 174.852 174.700 -0.653 0.000 1.037 96 T CA 0.993 62.728 62.100 -0.609 0.000 1.146 96 T CB -0.279 67.991 68.868 -0.997 0.000 0.865 96 T HN 0.172 nan 8.240 nan 0.000 0.435 97 Y N 1.687 121.815 120.300 -0.285 0.000 2.806 97 Y HA 0.366 4.922 4.550 0.009 0.000 0.364 97 Y C 0.791 176.366 175.900 -0.542 0.000 1.101 97 Y CA -1.006 56.768 58.100 -0.545 0.000 1.256 97 Y CB -0.393 37.827 38.460 -0.400 0.000 1.363 97 Y HN 0.116 nan 8.280 nan 0.000 0.592 98 N N 2.623 121.181 118.700 -0.237 0.000 3.111 98 N HA 0.045 4.790 4.740 0.009 0.000 0.302 98 N C -1.347 174.209 175.510 0.077 0.000 1.317 98 N CA 0.162 53.177 53.050 -0.057 0.000 1.151 98 N CB -0.021 38.482 38.487 0.026 0.000 1.456 98 N HN 0.563 nan 8.380 nan 0.000 0.547 99 Y N -2.471 117.881 120.300 0.085 0.000 2.725 99 Y HA 0.352 4.908 4.550 0.009 0.000 0.333 99 Y C -0.707 175.238 175.900 0.075 0.000 1.242 99 Y CA -1.408 56.734 58.100 0.070 0.000 1.059 99 Y CB 0.455 38.961 38.460 0.076 0.000 1.306 99 Y HN -0.144 nan 8.280 nan 0.000 0.454 100 E N 1.645 122.008 120.200 0.271 0.000 2.257 100 E HA 0.327 4.683 4.350 0.009 0.000 0.278 100 E C -0.929 175.816 176.600 0.241 0.000 1.049 100 E CA -0.343 56.157 56.400 0.166 0.000 0.876 100 E CB 0.507 30.281 29.700 0.123 0.000 1.035 100 E HN 0.586 nan 8.360 nan 0.000 0.419 101 I N 4.936 125.591 120.570 0.142 0.000 2.452 101 I HA 0.054 4.229 4.170 0.009 0.000 0.287 101 I C 0.045 176.219 176.117 0.095 0.000 1.079 101 I CA 0.059 61.428 61.300 0.116 0.000 1.387 101 I CB 0.546 38.520 38.000 -0.044 0.000 1.404 101 I HN 0.307 nan 8.210 nan 0.000 0.522 102 K N 6.604 127.056 120.400 0.087 0.000 2.182 102 K HA 0.504 4.830 4.320 0.009 0.000 0.262 102 K C -1.006 175.507 176.600 -0.145 0.000 0.957 102 K CA -0.414 55.871 56.287 -0.002 0.000 0.842 102 K CB 1.358 33.861 32.500 0.005 0.000 1.099 102 K HN 0.402 nan 8.250 nan 0.000 0.438 103 Y N -1.527 118.465 120.300 -0.513 0.000 2.545 103 Y HA 0.633 5.189 4.550 0.009 0.000 0.348 103 Y C -1.113 174.445 175.900 -0.570 0.000 1.002 103 Y CA -1.721 55.730 58.100 -1.081 0.000 1.039 103 Y CB 1.584 38.982 38.460 -1.769 0.000 1.271 103 Y HN 0.437 nan 8.280 nan 0.000 0.467 104 D N 0.956 121.091 120.400 -0.441 0.000 2.414 104 D HA 0.173 4.819 4.640 0.009 0.000 0.232 104 D C 0.592 176.913 176.300 0.034 0.000 1.070 104 D CA -0.420 53.502 54.000 -0.130 0.000 0.839 104 D CB 0.456 41.275 40.800 0.032 0.000 1.079 104 D HN 0.835 nan 8.370 nan 0.000 0.521 105 H N 0.792 119.861 119.070 -0.002 0.000 2.421 105 H HA -0.111 4.450 4.556 0.009 0.000 0.298 105 H C 1.696 177.110 175.328 0.143 0.000 1.087 105 H CA 1.704 57.838 56.048 0.144 0.000 1.330 105 H CB -0.399 29.434 29.762 0.118 0.000 1.388 105 H HN 0.351 nan 8.280 nan 0.000 0.526 106 T N -1.399 112.884 114.554 -0.451 0.000 2.946 106 T HA -0.118 4.237 4.350 0.009 0.000 0.271 106 T C 1.584 176.273 174.700 -0.018 0.000 1.104 106 T CA 1.006 62.970 62.100 -0.226 0.000 1.114 106 T CB -0.131 68.585 68.868 -0.252 0.000 0.867 106 T HN 0.311 nan 8.240 nan 0.000 0.513 107 K N 0.642 121.084 120.400 0.070 0.000 2.262 107 K HA 0.305 4.631 4.320 0.009 0.000 0.200 107 K C 0.847 177.539 176.600 0.152 0.000 1.049 107 K CA 0.130 56.492 56.287 0.125 0.000 0.979 107 K CB 0.007 32.631 32.500 0.207 0.000 0.773 107 K HN 0.505 nan 8.250 nan 0.000 0.474 108 I N 2.495 123.201 120.570 0.226 0.000 2.396 108 I HA 0.098 4.274 4.170 0.009 0.000 0.289 108 I C 0.664 176.864 176.117 0.138 0.000 1.056 108 I CA -0.334 61.097 61.300 0.218 0.000 1.365 108 I CB 0.469 38.648 38.000 0.299 0.000 1.407 108 I HN -0.124 nan 8.210 nan 0.000 0.509 109 R N 6.606 127.152 120.500 0.077 0.000 2.272 109 R HA 0.373 4.718 4.340 0.009 0.000 0.334 109 R C -1.233 175.094 176.300 0.045 0.000 1.117 109 R CA -0.356 55.760 56.100 0.026 0.000 0.966 109 R CB 0.373 30.641 30.300 -0.053 0.000 1.049 109 R HN 0.512 nan 8.270 nan 0.000 0.477 110 V N 3.842 123.809 119.914 0.088 0.000 2.394 110 V HA 0.544 4.670 4.120 0.009 0.000 0.282 110 V C 0.144 176.307 176.094 0.115 0.000 1.031 110 V CA -0.812 61.561 62.300 0.123 0.000 0.881 110 V CB 1.304 33.236 31.823 0.181 0.000 0.982 110 V HN 0.840 nan 8.190 nan 0.000 0.451 111 A N 4.166 127.041 122.820 0.092 0.000 2.331 111 A HA 0.692 5.017 4.320 0.009 0.000 0.320 111 A C -0.378 177.290 177.584 0.140 0.000 1.138 111 A CA -0.681 51.380 52.037 0.040 0.000 0.790 111 A CB 0.694 19.626 19.000 -0.113 0.000 1.206 111 A HN 0.874 nan 8.150 nan 0.000 0.470 112 N N 1.588 120.391 118.700 0.171 0.000 2.407 112 N HA 0.698 5.443 4.740 0.009 0.000 0.277 112 N C -0.984 174.698 175.510 0.286 0.000 0.995 112 N CA -0.457 52.734 53.050 0.235 0.000 0.903 112 N CB 0.864 39.478 38.487 0.212 0.000 1.218 112 N HN 0.619 nan 8.380 nan 0.000 0.487 113 F N 1.266 121.292 119.950 0.127 0.000 2.629 113 F HA 0.737 5.269 4.527 0.009 0.000 0.316 113 F C -1.548 174.393 175.800 0.235 0.000 1.081 113 F CA -0.949 57.170 58.000 0.199 0.000 0.954 113 F CB 1.772 40.924 39.000 0.254 0.000 1.337 113 F HN 0.260 nan 8.300 nan 0.000 0.474 114 D N 1.437 121.951 120.400 0.191 0.000 2.717 114 D HA 0.564 5.209 4.640 0.009 0.000 0.223 114 D C -1.385 175.046 176.300 0.219 0.000 1.240 114 D CA -0.365 53.675 54.000 0.067 0.000 0.801 114 D CB 2.322 43.175 40.800 0.089 0.000 1.556 114 D HN 0.897 nan 8.370 nan 0.000 0.462 115 I N -1.100 119.589 120.570 0.199 0.000 2.910 115 I HA 0.767 4.942 4.170 0.009 0.000 0.310 115 I C -0.838 175.363 176.117 0.141 0.000 1.043 115 I CA -0.649 60.760 61.300 0.182 0.000 1.053 115 I CB 2.166 40.267 38.000 0.168 0.000 1.242 115 I HN 0.084 nan 8.210 nan 0.000 0.452 116 E N 3.007 123.267 120.200 0.100 0.000 2.256 116 E HA 0.633 4.988 4.350 0.009 0.000 0.267 116 E C -1.366 175.304 176.600 0.116 0.000 0.892 116 E CA -0.808 55.637 56.400 0.075 0.000 0.775 116 E CB 2.966 32.656 29.700 -0.017 0.000 1.207 116 E HN 0.511 nan 8.360 nan 0.000 0.420 117 V N 1.931 121.896 119.914 0.085 0.000 2.532 117 V HA 0.190 4.316 4.120 0.009 0.000 0.294 117 V C -0.244 175.863 176.094 0.021 0.000 1.036 117 V CA -0.767 61.551 62.300 0.030 0.000 0.876 117 V CB 1.967 33.689 31.823 -0.169 0.000 1.012 117 V HN 0.630 nan 8.190 nan 0.000 0.432 118 T N 3.144 117.712 114.554 0.023 0.000 2.870 118 T HA 0.333 4.688 4.350 0.009 0.000 0.300 118 T C 0.258 174.719 174.700 -0.399 0.000 0.989 118 T CA 0.223 62.232 62.100 -0.152 0.000 1.139 118 T CB 0.928 69.675 68.868 -0.202 0.000 0.920 118 T HN 0.677 nan 8.240 nan 0.000 0.537 119 S N 3.602 119.033 115.700 -0.449 0.000 2.511 119 S HA 0.386 4.861 4.470 0.009 0.000 0.233 119 S C -2.150 172.204 174.600 -0.410 0.000 1.104 119 S CA -1.164 56.694 58.200 -0.570 0.000 1.129 119 S CB 1.138 64.150 63.200 -0.314 0.000 1.159 119 S HN 0.479 nan 8.310 nan 0.000 0.451 120 P HA 0.204 nan 4.420 nan 0.000 0.249 120 P C -0.043 177.205 177.300 -0.086 0.000 1.229 120 P CA 0.365 63.325 63.100 -0.233 0.000 0.788 120 P CB -0.024 31.547 31.700 -0.215 0.000 1.072 121 D N -1.060 119.300 120.400 -0.067 0.000 2.650 121 D HA 0.357 5.003 4.640 0.009 0.000 0.265 121 D C 0.746 177.096 176.300 0.083 0.000 1.339 121 D CA -0.499 53.527 54.000 0.043 0.000 0.816 121 D CB 0.303 41.170 40.800 0.112 0.000 1.091 121 D HN 0.165 nan 8.370 nan 0.000 0.483 122 G N 0.390 109.230 108.800 0.067 0.000 2.498 122 G HA2 -0.069 3.896 3.960 0.009 0.000 0.651 122 G HA3 -0.069 3.896 3.960 0.009 0.000 0.651 122 G C -1.135 173.866 174.900 0.167 0.000 1.284 122 G CA -0.902 44.277 45.100 0.132 0.000 0.950 122 G HN 0.182 nan 8.290 nan 0.000 0.511 123 F N 3.420 123.422 119.950 0.086 0.000 2.543 123 F HA 0.510 5.042 4.527 0.009 0.000 0.375 123 F C -1.001 174.913 175.800 0.190 0.000 1.075 123 F CA -1.208 56.853 58.000 0.102 0.000 1.225 123 F CB 0.838 39.885 39.000 0.078 0.000 1.099 123 F HN 0.329 nan 8.300 nan 0.000 0.561 124 P HA 0.043 nan 4.420 nan 0.000 0.275 124 P C -1.022 176.367 177.300 0.149 0.000 1.276 124 P CA -0.073 63.045 63.100 0.030 0.000 0.782 124 P CB 0.660 32.392 31.700 0.053 0.000 0.851 125 E N 5.372 125.752 120.200 0.299 0.000 2.324 125 E HA 0.076 4.432 4.350 0.009 0.000 0.271 125 E C -1.565 175.203 176.600 0.280 0.000 1.028 125 E CA -1.766 54.839 56.400 0.341 0.000 0.890 125 E CB 0.480 30.331 29.700 0.252 0.000 1.004 125 E HN 0.334 nan 8.360 nan 0.000 0.431 126 P HA -0.134 nan 4.420 nan 0.000 0.218 126 P C 1.166 178.435 177.300 -0.051 0.000 1.148 126 P CA 1.114 64.284 63.100 0.117 0.000 0.822 126 P CB 0.375 32.168 31.700 0.155 0.000 0.784 127 S N -0.453 115.264 115.700 0.029 0.000 2.359 127 S HA -0.250 4.226 4.470 0.009 0.000 0.222 127 S C 1.963 176.528 174.600 -0.058 0.000 1.038 127 S CA 1.576 59.777 58.200 0.001 0.000 1.051 127 S CB -0.977 62.246 63.200 0.040 0.000 0.944 127 S HN 0.217 nan 8.310 nan 0.000 0.433 128 Q N 0.753 120.521 119.800 -0.054 0.000 1.990 128 Q HA 0.303 4.649 4.340 0.009 0.000 0.200 128 Q C 1.179 177.052 176.000 -0.212 0.000 0.980 128 Q CA 0.987 56.733 55.803 -0.096 0.000 0.832 128 Q CB -0.528 28.175 28.738 -0.059 0.000 0.897 128 Q HN 0.623 nan 8.270 nan 0.000 0.427 129 A N 0.708 123.326 122.820 -0.337 0.000 2.610 129 A HA -0.291 4.034 4.320 0.009 0.000 0.299 129 A C 1.018 178.414 177.584 -0.312 0.000 1.487 129 A CA 1.303 52.908 52.037 -0.721 0.000 0.743 129 A CB -1.837 16.547 19.000 -1.027 0.000 1.070 129 A HN 0.535 nan 8.150 nan 0.000 0.439 130 K N -0.562 119.725 120.400 -0.188 0.000 2.314 130 K HA 0.058 4.384 4.320 0.009 0.000 0.198 130 K C 0.383 176.890 176.600 -0.156 0.000 1.045 130 K CA 0.489 56.647 56.287 -0.216 0.000 0.988 130 K CB 0.228 32.545 32.500 -0.305 0.000 0.783 130 K HN 0.736 nan 8.250 nan 0.000 0.484 131 H N 2.113 121.320 119.070 0.228 0.000 2.472 131 H HA 0.335 4.896 4.556 0.009 0.000 0.335 131 H C -2.493 173.015 175.328 0.301 0.000 1.136 131 H CA -2.772 53.445 56.048 0.281 0.000 1.264 131 H CB 1.156 31.072 29.762 0.257 0.000 1.486 131 H HN 0.015 nan 8.280 nan 0.000 0.517 132 P HA 0.178 nan 4.420 nan 0.000 0.279 132 P C 0.104 177.549 177.300 0.241 0.000 1.239 132 P CA -0.351 62.909 63.100 0.267 0.000 0.789 132 P CB 0.773 32.599 31.700 0.210 0.000 0.933 133 I N 2.931 123.622 120.570 0.203 0.000 2.363 133 I HA 0.063 4.239 4.170 0.009 0.000 0.292 133 I C 0.659 176.862 176.117 0.144 0.000 1.075 133 I CA 0.224 61.611 61.300 0.145 0.000 1.333 133 I CB 0.389 38.452 38.000 0.106 0.000 1.415 133 I HN 0.396 nan 8.210 nan 0.000 0.502 134 D N 4.267 124.776 120.400 0.182 0.000 2.379 134 D HA 0.336 4.982 4.640 0.009 0.000 0.208 134 D C 0.218 176.683 176.300 0.276 0.000 1.065 134 D CA -0.086 54.047 54.000 0.222 0.000 0.848 134 D CB 0.635 41.568 40.800 0.223 0.000 0.949 134 D HN 0.421 nan 8.370 nan 0.000 0.509 135 A N 0.131 123.093 122.820 0.236 0.000 2.577 135 A HA 0.634 4.959 4.320 0.009 0.000 0.297 135 A C -1.910 175.763 177.584 0.147 0.000 1.060 135 A CA -0.953 51.216 52.037 0.220 0.000 0.697 135 A CB 1.221 20.362 19.000 0.235 0.000 1.281 135 A HN 0.301 nan 8.150 nan 0.000 0.402 136 I N 0.243 120.918 120.570 0.175 0.000 2.610 136 I HA 0.725 4.900 4.170 0.009 0.000 0.289 136 I C -0.909 175.419 176.117 0.352 0.000 1.163 136 I CA 0.226 61.627 61.300 0.167 0.000 1.044 136 I CB 2.393 40.306 38.000 -0.146 0.000 1.251 136 I HN 0.468 nan 8.210 nan 0.000 0.424 137 T N 5.901 120.679 114.554 0.373 0.000 2.824 137 T HA 0.432 4.788 4.350 0.009 0.000 0.280 137 T C -1.210 173.866 174.700 0.627 0.000 0.995 137 T CA -0.112 62.271 62.100 0.471 0.000 1.009 137 T CB 0.468 69.547 68.868 0.352 0.000 0.955 137 T HN 0.688 nan 8.240 nan 0.000 0.452 138 H N 1.971 121.412 119.070 0.618 0.000 3.092 138 H HA 0.385 4.946 4.556 0.009 0.000 0.308 138 H C -1.540 174.137 175.328 0.582 0.000 1.047 138 H CA -0.752 55.693 56.048 0.661 0.000 1.466 138 H CB 0.436 30.663 29.762 0.776 0.000 1.597 138 H HN 0.665 nan 8.280 nan 0.000 0.512 139 Y N 4.546 124.990 120.300 0.239 0.000 2.335 139 Y HA 0.176 4.732 4.550 0.009 0.000 0.331 139 Y C -0.377 175.608 175.900 0.143 0.000 1.094 139 Y CA -0.165 57.946 58.100 0.019 0.000 1.253 139 Y CB 0.674 38.959 38.460 -0.293 0.000 1.203 139 Y HN 0.641 nan 8.280 nan 0.000 0.508 140 D N 3.903 123.999 120.400 -0.507 0.000 2.256 140 D HA 0.064 4.709 4.640 0.009 0.000 0.240 140 D C 0.560 176.489 176.300 -0.618 0.000 1.062 140 D CA 0.016 53.840 54.000 -0.293 0.000 0.832 140 D CB 2.208 43.054 40.800 0.077 0.000 1.135 140 D HN 0.764 nan 8.370 nan 0.000 0.484 141 S N 3.266 118.834 115.700 -0.219 0.000 2.370 141 S HA -0.146 4.329 4.470 0.009 0.000 0.226 141 S C 1.903 176.496 174.600 -0.013 0.000 1.033 141 S CA 1.037 59.232 58.200 -0.008 0.000 1.011 141 S CB -0.009 63.264 63.200 0.121 0.000 0.852 141 S HN 0.624 nan 8.310 nan 0.000 0.457 142 I N 0.973 121.524 120.570 -0.033 0.000 2.429 142 I HA -0.027 4.149 4.170 0.009 0.000 0.247 142 I C 1.935 178.053 176.117 0.002 0.000 1.099 142 I CA 0.909 62.208 61.300 -0.002 0.000 1.422 142 I CB -0.288 37.709 38.000 -0.005 0.000 1.112 142 I HN 0.176 nan 8.210 nan 0.000 0.430 143 D N 0.507 120.908 120.400 0.001 0.000 2.218 143 D HA -0.214 4.432 4.640 0.009 0.000 0.204 143 D C 0.704 177.008 176.300 0.007 0.000 0.976 143 D CA 1.292 55.321 54.000 0.048 0.000 0.853 143 D CB -0.492 40.416 40.800 0.179 0.000 0.939 143 D HN 0.278 nan 8.370 nan 0.000 0.481 144 D N 0.018 120.358 120.400 -0.101 0.000 2.699 144 D HA -0.180 4.466 4.640 0.009 0.000 0.239 144 D C -0.868 175.409 176.300 -0.038 0.000 1.136 144 D CA 0.521 54.475 54.000 -0.077 0.000 0.668 144 D CB -0.406 40.470 40.800 0.126 0.000 1.060 144 D HN 0.082 nan 8.370 nan 0.000 0.429 145 R N 0.183 120.558 120.500 -0.209 0.000 2.750 145 R HA 0.491 4.837 4.340 0.009 0.000 0.281 145 R C -0.407 175.777 176.300 -0.193 0.000 0.972 145 R CA -0.728 55.282 56.100 -0.150 0.000 0.912 145 R CB 0.706 30.781 30.300 -0.375 0.000 1.187 145 R HN 0.017 nan 8.270 nan 0.000 0.464 146 F N 2.216 122.169 119.950 0.004 0.000 2.350 146 F HA 0.304 4.836 4.527 0.009 0.000 0.365 146 F C 0.070 175.864 175.800 -0.010 0.000 1.122 146 F CA -0.513 57.586 58.000 0.165 0.000 1.139 146 F CB 0.378 39.489 39.000 0.183 0.000 1.220 146 F HN 0.290 nan 8.300 nan 0.000 0.499 147 Y N 2.709 123.217 120.300 0.346 0.000 2.452 147 Y HA 0.428 4.983 4.550 0.009 0.000 0.348 147 Y C 0.062 176.100 175.900 0.230 0.000 0.985 147 Y CA -0.726 57.474 58.100 0.166 0.000 1.214 147 Y CB 0.567 39.057 38.460 0.049 0.000 1.136 147 Y HN 0.192 nan 8.280 nan 0.000 0.523 148 V N 5.016 124.991 119.914 0.102 0.000 2.427 148 V HA 0.334 4.459 4.120 0.009 0.000 0.286 148 V C -0.644 175.391 176.094 -0.098 0.000 1.034 148 V CA -1.000 61.366 62.300 0.110 0.000 0.893 148 V CB 0.964 32.794 31.823 0.012 0.000 0.982 148 V HN 0.439 nan 8.190 nan 0.000 0.452 149 F N 2.506 122.510 119.950 0.091 0.000 2.434 149 F HA 0.435 4.967 4.527 0.009 0.000 0.367 149 F C 0.172 176.071 175.800 0.166 0.000 1.093 149 F CA -0.672 57.432 58.000 0.173 0.000 1.085 149 F CB 1.079 40.158 39.000 0.131 0.000 1.322 149 F HN 0.445 nan 8.300 nan 0.000 0.452 150 D N 2.359 122.890 120.400 0.218 0.000 2.294 150 D HA 0.452 5.098 4.640 0.009 0.000 0.250 150 D C -1.231 175.280 176.300 0.353 0.000 1.058 150 D CA -0.277 53.881 54.000 0.264 0.000 0.950 150 D CB 1.825 42.763 40.800 0.230 0.000 1.158 150 D HN 0.399 nan 8.370 nan 0.000 0.453 151 L N 3.371 124.788 121.223 0.322 0.000 2.376 151 L HA 0.314 4.660 4.340 0.009 0.000 0.275 151 L C -0.023 176.942 176.870 0.159 0.000 0.987 151 L CA -0.362 54.632 54.840 0.256 0.000 0.828 151 L CB 1.381 43.567 42.059 0.212 0.000 1.249 151 L HN 0.495 nan 8.230 nan 0.000 0.409 152 L N 2.916 124.206 121.223 0.111 0.000 2.298 152 L HA 0.274 4.619 4.340 0.009 0.000 0.209 152 L C 0.224 177.087 176.870 -0.012 0.000 1.084 152 L CA 0.160 55.005 54.840 0.008 0.000 0.816 152 L CB -0.225 41.853 42.059 0.032 0.000 0.967 152 L HN 0.593 nan 8.230 nan 0.000 0.460 153 N N 0.474 119.194 118.700 0.034 0.000 2.392 153 N HA 0.369 5.115 4.740 0.009 0.000 0.283 153 N C -0.964 174.566 175.510 0.033 0.000 1.003 153 N CA 0.145 53.208 53.050 0.022 0.000 0.892 153 N CB 2.361 40.863 38.487 0.026 0.000 1.193 153 N HN -0.101 nan 8.380 nan 0.000 0.487 154 S N 1.560 117.271 115.700 0.018 0.000 2.537 154 S HA 0.443 4.918 4.470 0.009 0.000 0.270 154 S C -2.290 172.288 174.600 -0.037 0.000 1.142 154 S CA -1.146 57.069 58.200 0.023 0.000 0.870 154 S CB 1.526 64.779 63.200 0.090 0.000 1.112 154 S HN 0.121 nan 8.310 nan 0.000 0.466 155 P HA -0.051 nan 4.420 nan 0.000 0.222 155 P C -0.212 176.888 177.300 -0.335 0.000 1.142 155 P CA 1.238 64.175 63.100 -0.271 0.000 0.788 155 P CB -0.172 31.277 31.700 -0.420 0.000 0.767 156 Y N -0.618 119.681 120.300 -0.000 0.000 2.746 156 Y HA 0.522 5.078 4.550 0.009 0.000 0.312 156 Y C 1.491 177.372 175.900 -0.033 0.000 1.117 156 Y CA 0.064 58.153 58.100 -0.018 0.000 1.324 156 Y CB -0.282 38.159 38.460 -0.032 0.000 1.173 156 Y HN -0.083 nan 8.280 nan 0.000 0.529 157 G N 0.589 109.421 108.800 0.054 0.000 2.497 157 G HA2 -0.132 3.833 3.960 0.009 0.000 0.686 157 G HA3 -0.132 3.833 3.960 0.009 0.000 0.686 157 G C -1.461 173.435 174.900 -0.008 0.000 1.288 157 G CA -1.253 43.859 45.100 0.020 0.000 0.899 157 G HN 0.125 nan 8.290 nan 0.000 0.608 158 N N -0.689 117.996 118.700 -0.024 0.000 2.258 158 N HA 0.736 5.481 4.740 0.009 0.000 0.299 158 N C -0.255 175.214 175.510 -0.068 0.000 1.047 158 N CA -0.030 52.995 53.050 -0.041 0.000 0.814 158 N CB 2.334 40.808 38.487 -0.022 0.000 1.413 158 N HN 1.488 nan 8.380 nan 0.000 0.478 159 V N -1.568 118.272 119.914 -0.123 0.000 2.925 159 V HA 0.567 4.693 4.120 0.009 0.000 0.311 159 V C 0.167 176.182 176.094 -0.132 0.000 1.104 159 V CA -1.070 61.125 62.300 -0.175 0.000 0.954 159 V CB 2.201 33.777 31.823 -0.413 0.000 1.022 159 V HN 0.621 nan 8.190 nan 0.000 0.427 160 E N 1.803 121.980 120.200 -0.037 0.000 2.392 160 E HA 0.267 4.622 4.350 0.009 0.000 0.256 160 E C -0.182 176.495 176.600 0.128 0.000 1.145 160 E CA -0.459 55.963 56.400 0.036 0.000 0.929 160 E CB 0.967 30.692 29.700 0.043 0.000 0.998 160 E HN 0.809 nan 8.360 nan 0.000 0.442 161 E N 0.161 120.465 120.200 0.174 0.000 2.442 161 E HA -0.040 4.316 4.350 0.009 0.000 0.260 161 E C -0.731 176.053 176.600 0.306 0.000 1.148 161 E CA 0.008 56.598 56.400 0.317 0.000 0.976 161 E CB 0.391 30.256 29.700 0.276 0.000 0.967 161 E HN 0.496 nan 8.360 nan 0.000 0.454 162 W N 1.704 123.042 121.300 0.063 0.000 2.365 162 W HA 0.189 4.855 4.660 0.009 0.000 0.316 162 W C -0.321 175.958 176.519 -0.400 0.000 1.164 162 W CA -0.517 56.708 57.345 -0.201 0.000 1.204 162 W CB 1.121 30.413 29.460 -0.280 0.000 1.213 162 W HN 0.206 nan 8.180 nan 0.000 0.539 163 S N 6.791 121.917 115.700 -0.957 0.000 2.438 163 S HA 0.183 4.658 4.470 0.009 0.000 0.293 163 S C 0.666 174.357 174.600 -1.515 0.000 1.141 163 S CA -0.668 56.956 58.200 -0.960 0.000 1.080 163 S CB 0.767 63.654 63.200 -0.522 0.000 0.978 163 S HN 0.726 nan 8.310 nan 0.000 0.479 164 I N 4.529 124.331 120.570 -1.280 0.000 2.439 164 I HA -0.100 4.076 4.170 0.009 0.000 0.251 164 I C 2.333 178.136 176.117 -0.522 0.000 1.139 164 I CA 1.616 62.321 61.300 -0.993 0.000 1.438 164 I CB -0.114 37.610 38.000 -0.460 0.000 1.085 164 I HN 0.947 nan 8.210 nan 0.000 0.427 165 E N 0.843 120.794 120.200 -0.414 0.000 2.152 165 E HA -0.199 4.157 4.350 0.009 0.000 0.192 165 E C 2.104 178.553 176.600 -0.251 0.000 0.983 165 E CA 1.275 57.517 56.400 -0.262 0.000 0.818 165 E CB -0.423 29.160 29.700 -0.194 0.000 0.758 165 E HN 0.540 nan 8.360 nan 0.000 0.467 166 I N 1.662 122.038 120.570 -0.324 0.000 2.406 166 I HA -0.107 4.068 4.170 0.009 0.000 0.249 166 I C 2.696 178.673 176.117 -0.234 0.000 1.122 166 I CA 0.806 61.953 61.300 -0.256 0.000 1.431 166 I CB -0.292 37.555 38.000 -0.256 0.000 1.087 166 I HN 0.174 nan 8.210 nan 0.000 0.424 167 A N 0.999 123.622 122.820 -0.329 0.000 1.978 167 A HA -0.142 4.183 4.320 0.009 0.000 0.220 167 A C 2.486 180.020 177.584 -0.083 0.000 1.170 167 A CA 1.853 53.798 52.037 -0.154 0.000 0.636 167 A CB -0.662 18.314 19.000 -0.040 0.000 0.810 167 A HN 0.435 nan 8.150 nan 0.000 0.448 168 A N -0.483 122.264 122.820 -0.122 0.000 2.066 168 A HA 0.062 4.387 4.320 0.009 0.000 0.218 168 A C 1.262 178.805 177.584 -0.068 0.000 1.157 168 A CA 0.558 52.545 52.037 -0.084 0.000 0.670 168 A CB -0.162 18.781 19.000 -0.096 0.000 0.804 168 A HN 0.520 nan 8.150 nan 0.000 0.453 169 K N 0.081 120.434 120.400 -0.078 0.000 2.276 169 K HA 0.363 4.688 4.320 0.009 0.000 0.259 169 K C -0.425 176.152 176.600 -0.038 0.000 1.001 169 K CA -0.339 55.913 56.287 -0.058 0.000 0.927 169 K CB 0.455 32.915 32.500 -0.066 0.000 0.969 169 K HN 0.313 nan 8.250 nan 0.000 0.490 170 L N 2.372 123.579 121.223 -0.027 0.000 2.483 170 L HA -0.076 4.269 4.340 0.009 0.000 0.275 170 L C 1.784 178.650 176.870 -0.007 0.000 1.220 170 L CA 0.171 55.003 54.840 -0.013 0.000 0.833 170 L CB 0.099 42.150 42.059 -0.012 0.000 1.102 170 L HN 0.625 nan 8.230 nan 0.000 0.490 171 Q N 0.863 120.669 119.800 0.010 0.000 2.364 171 Q HA -0.183 4.162 4.340 0.009 0.000 0.209 171 Q C 1.288 177.295 176.000 0.012 0.000 0.977 171 Q CA 1.198 57.013 55.803 0.020 0.000 0.885 171 Q CB 0.131 28.900 28.738 0.051 0.000 0.941 171 Q HN 0.599 nan 8.270 nan 0.000 0.464 172 E N 0.426 120.629 120.200 0.005 0.000 2.285 172 E HA -0.085 4.271 4.350 0.009 0.000 0.194 172 E C 1.028 177.623 176.600 -0.007 0.000 0.997 172 E CA 0.619 57.019 56.400 -0.000 0.000 0.845 172 E CB 0.212 29.910 29.700 -0.003 0.000 0.782 172 E HN 0.244 nan 8.360 nan 0.000 0.491 173 Q N -0.692 119.100 119.800 -0.013 0.000 2.246 173 Q HA 0.157 4.503 4.340 0.009 0.000 0.202 173 Q C 0.325 176.311 176.000 -0.024 0.000 0.883 173 Q CA 0.335 56.126 55.803 -0.020 0.000 0.952 173 Q CB 0.778 29.500 28.738 -0.028 0.000 1.078 173 Q HN 0.369 nan 8.270 nan 0.000 0.493 174 G N 0.310 109.101 108.800 -0.016 0.000 2.143 174 G HA2 -0.252 3.713 3.960 0.009 0.000 0.248 174 G HA3 -0.252 3.713 3.960 0.009 0.000 0.248 174 G C 0.363 175.243 174.900 -0.033 0.000 0.991 174 G CA 0.011 45.100 45.100 -0.019 0.000 0.689 174 G HN 0.526 nan 8.290 nan 0.000 0.522 175 G N -1.272 107.507 108.800 -0.035 0.000 2.531 175 G HA2 0.538 4.503 3.960 0.009 0.000 0.281 175 G HA3 0.538 4.503 3.960 0.009 0.000 0.281 175 G C 0.371 175.250 174.900 -0.035 0.000 1.382 175 G CA 0.549 45.618 45.100 -0.052 0.000 1.045 175 G HN 0.070 nan 8.290 nan 0.000 0.533 176 D N -1.531 118.848 120.400 -0.034 0.000 2.454 176 D HA 0.082 4.727 4.640 0.009 0.000 0.219 176 D C 0.694 177.026 176.300 0.053 0.000 1.081 176 D CA 0.210 54.204 54.000 -0.010 0.000 0.867 176 D CB 0.769 41.552 40.800 -0.028 0.000 1.054 176 D HN 0.628 nan 8.370 nan 0.000 0.500 177 E N 0.165 120.380 120.200 0.025 0.000 2.957 177 E HA -0.146 4.209 4.350 0.009 0.000 0.287 177 E C -0.722 175.895 176.600 0.028 0.000 0.976 177 E CA -0.209 56.207 56.400 0.026 0.000 0.907 177 E CB -1.065 28.661 29.700 0.043 0.000 1.456 177 E HN -0.037 nan 8.360 nan 0.000 0.421 178 V N 1.522 121.449 119.914 0.021 0.000 2.539 178 V HA 0.011 4.137 4.120 0.009 0.000 0.300 178 V C -1.663 174.384 176.094 -0.078 0.000 1.019 178 V CA 0.073 62.360 62.300 -0.022 0.000 1.160 178 V CB -0.034 31.792 31.823 0.004 0.000 0.901 178 V HN 0.169 nan 8.190 nan 0.000 0.481 179 P HA 0.124 nan 4.420 nan 0.000 0.269 179 P C 0.813 178.026 177.300 -0.145 0.000 1.209 179 P CA 0.071 63.102 63.100 -0.116 0.000 0.776 179 P CB 0.551 32.180 31.700 -0.118 0.000 0.876 180 S N 1.437 117.089 115.700 -0.080 0.000 2.399 180 S HA -0.188 4.287 4.470 0.009 0.000 0.231 180 S C 1.310 175.871 174.600 -0.066 0.000 1.022 180 S CA 1.391 59.553 58.200 -0.063 0.000 0.983 180 S CB -0.708 62.472 63.200 -0.033 0.000 0.803 180 S HN 0.601 nan 8.310 nan 0.000 0.480 181 E N 1.146 121.307 120.200 -0.066 0.000 2.333 181 E HA -0.082 4.273 4.350 0.009 0.000 0.198 181 E C 1.771 178.338 176.600 -0.055 0.000 1.007 181 E CA 1.166 57.550 56.400 -0.025 0.000 0.845 181 E CB -0.327 29.395 29.700 0.037 0.000 0.766 181 E HN 0.845 nan 8.360 nan 0.000 0.507 182 I N -3.865 116.591 120.570 -0.191 0.000 4.327 182 I HA 0.113 4.289 4.170 0.009 0.000 0.331 182 I C 1.423 177.433 176.117 -0.178 0.000 1.348 182 I CA -0.274 60.883 61.300 -0.239 0.000 1.152 182 I CB 0.366 37.928 38.000 -0.732 0.000 1.151 182 I HN -0.116 nan 8.210 nan 0.000 0.410 183 I N 2.805 123.296 120.570 -0.132 0.000 2.248 183 I HA -0.234 3.942 4.170 0.009 0.000 0.248 183 I C 1.445 177.555 176.117 -0.012 0.000 1.107 183 I CA 1.742 63.003 61.300 -0.065 0.000 1.373 183 I CB -0.813 37.152 38.000 -0.058 0.000 1.055 183 I HN 0.382 nan 8.210 nan 0.000 0.418 184 D N 0.286 120.686 120.400 0.001 0.000 2.340 184 D HA -0.026 4.619 4.640 0.009 0.000 0.220 184 D C 1.619 177.954 176.300 0.058 0.000 1.039 184 D CA 0.424 54.440 54.000 0.027 0.000 0.866 184 D CB 0.228 41.043 40.800 0.026 0.000 0.913 184 D HN 0.409 nan 8.370 nan 0.000 0.523 185 K N -0.101 120.351 120.400 0.087 0.000 2.373 185 K HA 0.238 4.563 4.320 0.009 0.000 0.200 185 K C 0.710 177.426 176.600 0.193 0.000 1.054 185 K CA -0.133 56.258 56.287 0.174 0.000 1.065 185 K CB 1.461 34.163 32.500 0.337 0.000 0.886 185 K HN 0.025 nan 8.250 nan 0.000 0.546 186 I N 2.243 122.884 120.570 0.119 0.000 2.529 186 I HA 0.078 4.253 4.170 0.009 0.000 0.284 186 I C 0.009 176.162 176.117 0.060 0.000 1.082 186 I CA -0.005 61.362 61.300 0.112 0.000 1.406 186 I CB 0.651 38.724 38.000 0.121 0.000 1.405 186 I HN -0.055 nan 8.210 nan 0.000 0.548 187 I N 7.206 127.763 120.570 -0.022 0.000 2.390 187 I HA 0.182 4.357 4.170 0.009 0.000 0.283 187 I C -0.826 175.298 176.117 0.012 0.000 1.016 187 I CA -0.676 60.594 61.300 -0.051 0.000 1.151 187 I CB 1.033 38.888 38.000 -0.241 0.000 1.293 187 I HN 0.445 nan 8.210 nan 0.000 0.458 188 Y N 7.844 128.129 120.300 -0.025 0.000 2.308 188 Y HA 0.604 5.159 4.550 0.009 0.000 0.329 188 Y C -0.520 175.322 175.900 -0.095 0.000 1.111 188 Y CA -0.639 57.450 58.100 -0.018 0.000 1.179 188 Y CB 1.223 39.796 38.460 0.189 0.000 1.201 188 Y HN 0.458 nan 8.280 nan 0.000 0.483 189 M N 9.626 128.715 119.600 -0.852 0.000 2.073 189 M HA 0.293 4.778 4.480 0.009 0.000 0.261 189 M C -2.765 172.929 176.300 -1.009 0.000 0.928 189 M CA -1.777 53.030 55.300 -0.823 0.000 1.006 189 M CB 1.926 34.138 32.600 -0.647 0.000 1.893 189 M HN 0.400 nan 8.290 nan 0.000 0.440 190 P HA 0.472 nan 4.420 nan 0.000 0.278 190 P C -1.285 175.628 177.300 -0.645 0.000 1.238 190 P CA -0.093 62.690 63.100 -0.529 0.000 0.794 190 P CB 0.736 32.333 31.700 -0.171 0.000 0.955 191 F N 0.192 120.142 119.950 0.000 0.000 2.565 191 F HA 0.292 4.824 4.527 0.009 0.000 0.313 191 F C 1.150 176.980 175.800 0.049 0.000 1.091 191 F CA -0.317 57.706 58.000 0.038 0.000 0.915 191 F CB 2.013 41.056 39.000 0.071 0.000 1.208 191 F HN 0.209 nan 8.300 nan 0.000 0.453 192 D N 0.497 121.035 120.400 0.230 0.000 2.366 192 D HA 0.032 4.677 4.640 0.009 0.000 0.205 192 D C -0.288 176.088 176.300 0.126 0.000 1.022 192 D CA 0.633 54.715 54.000 0.137 0.000 0.868 192 D CB 0.360 41.215 40.800 0.091 0.000 0.953 192 D HN 0.608 nan 8.370 nan 0.000 0.514 193 N N -0.814 117.980 118.700 0.157 0.000 2.284 193 N HA 0.063 4.808 4.740 0.009 0.000 0.289 193 N C 0.284 175.861 175.510 0.112 0.000 1.179 193 N CA -0.693 52.424 53.050 0.112 0.000 0.774 193 N CB 2.186 40.722 38.487 0.081 0.000 1.548 193 N HN -0.335 nan 8.380 nan 0.000 0.473 194 E N 0.761 121.011 120.200 0.084 0.000 2.077 194 E HA -0.224 4.131 4.350 0.009 0.000 0.193 194 E C 0.768 177.423 176.600 0.092 0.000 0.989 194 E CA 1.365 57.811 56.400 0.077 0.000 0.800 194 E CB 0.084 29.830 29.700 0.076 0.000 0.746 194 E HN 0.590 nan 8.360 nan 0.000 0.452 195 K N 0.726 121.194 120.400 0.113 0.000 2.044 195 K HA -0.190 4.135 4.320 0.009 0.000 0.210 195 K C 2.184 178.904 176.600 0.200 0.000 1.049 195 K CA 1.511 57.945 56.287 0.245 0.000 0.927 195 K CB -0.103 32.462 32.500 0.109 0.000 0.713 195 K HN 0.046 nan 8.250 nan 0.000 0.443 196 E N 0.518 120.783 120.200 0.108 0.000 2.058 196 E HA -0.189 4.166 4.350 0.009 0.000 0.194 196 E C 1.912 178.411 176.600 -0.168 0.000 0.997 196 E CA 1.021 57.467 56.400 0.077 0.000 0.801 196 E CB -0.232 29.582 29.700 0.189 0.000 0.746 196 E HN 0.159 nan 8.360 nan 0.000 0.450 197 L N 0.734 121.759 121.223 -0.331 0.000 1.976 197 L HA -0.149 4.196 4.340 0.009 0.000 0.209 197 L C 2.364 178.971 176.870 -0.439 0.000 1.071 197 L CA 1.685 56.038 54.840 -0.811 0.000 0.746 197 L CB -1.011 40.819 42.059 -0.382 0.000 0.890 197 L HN 0.118 nan 8.230 nan 0.000 0.432 198 L N -1.222 119.893 121.223 -0.180 0.000 2.083 198 L HA -0.211 4.134 4.340 0.009 0.000 0.209 198 L C 2.569 179.309 176.870 -0.216 0.000 1.083 198 L CA 1.413 56.165 54.840 -0.146 0.000 0.752 198 L CB -0.563 41.481 42.059 -0.024 0.000 0.899 198 L HN 0.401 nan 8.230 nan 0.000 0.433 199 M N 0.236 119.712 119.600 -0.207 0.000 2.108 199 M HA -0.235 4.251 4.480 0.009 0.000 0.261 199 M C 2.099 178.342 176.300 -0.096 0.000 1.066 199 M CA 1.783 56.955 55.300 -0.213 0.000 1.107 199 M CB -0.254 32.305 32.600 -0.067 0.000 1.356 199 M HN 0.111 nan 8.290 nan 0.000 0.406 200 E N -1.317 118.851 120.200 -0.053 0.000 2.107 200 E HA -0.214 4.141 4.350 0.009 0.000 0.191 200 E C 1.919 178.638 176.600 0.200 0.000 0.982 200 E CA 1.277 57.738 56.400 0.101 0.000 0.809 200 E CB -0.595 29.204 29.700 0.165 0.000 0.756 200 E HN 0.617 nan 8.360 nan 0.000 0.459 201 Y N 0.512 120.764 120.300 -0.079 0.000 2.207 201 Y HA -0.157 4.398 4.550 0.009 0.000 0.287 201 Y C 1.717 177.637 175.900 0.033 0.000 1.156 201 Y CA 1.715 59.710 58.100 -0.176 0.000 1.182 201 Y CB -0.128 38.039 38.460 -0.488 0.000 0.979 201 Y HN 0.080 nan 8.280 nan 0.000 0.521 202 L N -0.392 120.789 121.223 -0.071 0.000 2.109 202 L HA -0.200 4.145 4.340 0.009 0.000 0.207 202 L C 1.977 178.821 176.870 -0.043 0.000 1.086 202 L CA 1.158 55.920 54.840 -0.129 0.000 0.760 202 L CB -0.574 41.366 42.059 -0.199 0.000 0.910 202 L HN 0.158 nan 8.230 nan 0.000 0.437 203 N N 0.067 118.766 118.700 -0.002 0.000 2.142 203 N HA -0.215 4.530 4.740 0.009 0.000 0.186 203 N C 1.618 177.148 175.510 0.033 0.000 1.023 203 N CA 1.164 54.228 53.050 0.022 0.000 0.852 203 N CB -0.549 37.970 38.487 0.054 0.000 0.998 203 N HN 0.206 nan 8.380 nan 0.000 0.424 204 F N 0.951 120.851 119.950 -0.083 0.000 2.069 204 F HA -0.174 4.358 4.527 0.009 0.000 0.298 204 F C 2.282 177.919 175.800 -0.272 0.000 1.113 204 F CA 1.329 59.233 58.000 -0.160 0.000 1.214 204 F CB -0.518 38.424 39.000 -0.097 0.000 0.978 204 F HN 0.156 nan 8.300 nan 0.000 0.474 205 W N 1.156 122.036 121.300 -0.700 0.000 2.331 205 W HA -0.272 4.393 4.660 0.009 0.000 0.291 205 W C 2.156 178.377 176.519 -0.495 0.000 1.214 205 W CA 2.073 58.968 57.345 -0.751 0.000 1.228 205 W CB -0.567 28.526 29.460 -0.612 0.000 1.135 205 W HN 0.227 nan 8.180 nan 0.000 0.537 206 Q N 0.184 119.913 119.800 -0.118 0.000 2.123 206 Q HA -0.210 4.135 4.340 0.009 0.000 0.199 206 Q C 2.486 178.378 176.000 -0.180 0.000 0.966 206 Q CA 2.495 58.243 55.803 -0.091 0.000 0.845 206 Q CB -0.606 28.110 28.738 -0.036 0.000 0.907 206 Q HN 0.590 nan 8.270 nan 0.000 0.439 207 Q N -1.070 118.591 119.800 -0.232 0.000 2.331 207 Q HA 0.058 4.404 4.340 0.009 0.000 0.203 207 Q C -0.015 175.795 176.000 -0.315 0.000 0.944 207 Q CA 0.711 56.386 55.803 -0.213 0.000 0.892 207 Q CB 0.244 28.900 28.738 -0.137 0.000 0.983 207 Q HN -0.039 nan 8.270 nan 0.000 0.482 208 K N 1.939 122.016 120.400 -0.538 0.000 2.753 208 K HA 0.263 4.588 4.320 0.009 0.000 0.185 208 K C -1.347 174.805 176.600 -0.745 0.000 1.071 208 K CA -0.150 55.772 56.287 -0.608 0.000 0.999 208 K CB 1.671 33.711 32.500 -0.767 0.000 1.244 208 K HN 0.004 nan 8.250 nan 0.000 0.594 209 T N 2.591 116.811 114.554 -0.557 0.000 2.749 209 T HA 0.219 4.575 4.350 0.009 0.000 0.295 209 T C -2.376 172.034 174.700 -0.482 0.000 0.936 209 T CA -1.746 59.972 62.100 -0.637 0.000 1.060 209 T CB 0.634 69.289 68.868 -0.354 0.000 0.904 209 T HN 0.101 nan 8.240 nan 0.000 0.500 210 P HA 0.160 nan 4.420 nan 0.000 0.271 210 P C 0.628 177.853 177.300 -0.124 0.000 1.216 210 P CA -0.299 62.620 63.100 -0.301 0.000 0.771 210 P CB 0.684 32.194 31.700 -0.316 0.000 0.864 211 V N 3.675 123.566 119.914 -0.038 0.000 2.300 211 V HA -0.022 4.104 4.120 0.009 0.000 0.241 211 V C 1.122 177.255 176.094 0.064 0.000 1.034 211 V CA 1.373 63.694 62.300 0.035 0.000 1.021 211 V CB -0.337 31.532 31.823 0.076 0.000 0.662 211 V HN 0.420 nan 8.190 nan 0.000 0.458 212 I N 2.071 122.687 120.570 0.077 0.000 2.312 212 I HA 0.367 4.543 4.170 0.009 0.000 0.290 212 I C -0.629 175.565 176.117 0.128 0.000 1.008 212 I CA -0.517 60.846 61.300 0.105 0.000 1.226 212 I CB 1.014 39.084 38.000 0.116 0.000 1.371 212 I HN 0.102 nan 8.210 nan 0.000 0.468 213 L N 7.046 128.367 121.223 0.163 0.000 2.276 213 L HA 0.526 4.871 4.340 0.009 0.000 0.286 213 L C 0.160 177.187 176.870 0.262 0.000 1.024 213 L CA 0.515 55.495 54.840 0.234 0.000 0.826 213 L CB 1.316 43.555 42.059 0.300 0.000 1.211 213 L HN 0.715 nan 8.230 nan 0.000 0.422 214 T N 2.813 117.530 114.554 0.272 0.000 2.804 214 T HA 0.982 5.337 4.350 0.009 0.000 0.272 214 T C -0.340 174.494 174.700 0.222 0.000 0.986 214 T CA -0.080 62.181 62.100 0.268 0.000 0.999 214 T CB 1.328 70.387 68.868 0.318 0.000 1.307 214 T HN 1.067 nan 8.240 nan 0.000 0.586 215 G N -0.392 108.539 108.800 0.217 0.000 2.351 215 G HA2 0.118 4.083 3.960 0.009 0.000 0.353 215 G HA3 0.118 4.083 3.960 0.009 0.000 0.353 215 G C -1.850 173.184 174.900 0.224 0.000 1.358 215 G CA -0.671 44.519 45.100 0.150 0.000 0.995 215 G HN 0.744 nan 8.290 nan 0.000 0.611 216 W N 1.848 123.156 121.300 0.012 0.000 2.342 216 W HA 0.439 5.105 4.660 0.009 0.000 0.310 216 W C 0.804 177.334 176.519 0.018 0.000 1.128 216 W CA 0.413 57.782 57.345 0.039 0.000 1.322 216 W CB 0.697 30.166 29.460 0.015 0.000 1.251 216 W HN 0.926 nan 8.180 nan 0.000 0.439 217 N N 3.155 121.669 118.700 -0.311 0.000 2.818 217 N HA -0.252 4.493 4.740 0.009 0.000 0.250 217 N C 0.717 176.220 175.510 -0.011 0.000 1.108 217 N CA 1.416 54.349 53.050 -0.196 0.000 0.745 217 N CB -1.173 37.246 38.487 -0.113 0.000 1.104 217 N HN 0.299 nan 8.380 nan 0.000 0.557 218 V N -3.156 116.741 119.914 -0.029 0.000 2.548 218 V HA 0.018 4.143 4.120 0.009 0.000 0.249 218 V C 2.080 178.214 176.094 0.066 0.000 1.055 218 V CA 1.660 63.958 62.300 -0.004 0.000 1.065 218 V CB -0.183 31.590 31.823 -0.083 0.000 0.681 218 V HN 0.206 nan 8.190 nan 0.000 0.462 219 E N 1.347 121.561 120.200 0.023 0.000 2.106 219 E HA -0.099 4.256 4.350 0.009 0.000 0.192 219 E C 2.354 178.972 176.600 0.029 0.000 0.984 219 E CA 1.762 58.169 56.400 0.011 0.000 0.806 219 E CB -0.067 29.599 29.700 -0.056 0.000 0.750 219 E HN 0.720 nan 8.360 nan 0.000 0.458 220 S N -0.847 114.882 115.700 0.049 0.000 2.503 220 S HA 0.084 4.560 4.470 0.009 0.000 0.217 220 S C 1.055 175.810 174.600 0.258 0.000 0.999 220 S CA 0.005 58.265 58.200 0.101 0.000 0.914 220 S CB 0.335 63.564 63.200 0.048 0.000 0.782 220 S HN 0.208 nan 8.310 nan 0.000 0.520 221 F N 1.047 121.056 119.950 0.098 0.000 1.965 221 F HA 0.504 5.037 4.527 0.009 0.000 0.237 221 F C 2.040 177.948 175.800 0.180 0.000 1.132 221 F CA 0.512 58.613 58.000 0.167 0.000 1.272 221 F CB -0.711 38.399 39.000 0.182 0.000 1.657 221 F HN 0.007 nan 8.300 nan 0.000 0.525 222 A N 1.452 124.377 122.820 0.175 0.000 1.873 222 A HA -0.168 4.158 4.320 0.009 0.000 0.218 222 A C 2.145 179.854 177.584 0.209 0.000 1.193 222 A CA 2.481 54.581 52.037 0.105 0.000 0.629 222 A CB -1.394 17.618 19.000 0.020 0.000 0.826 222 A HN 0.520 nan 8.150 nan 0.000 0.447 223 I N -0.104 120.622 120.570 0.259 0.000 2.113 223 I HA -0.164 4.012 4.170 0.009 0.000 0.238 223 I C -0.514 175.684 176.117 0.134 0.000 1.070 223 I CA 1.564 63.018 61.300 0.257 0.000 1.332 223 I CB -1.109 37.022 38.000 0.219 0.000 1.044 223 I HN 0.207 nan 8.210 nan 0.000 0.402 224 P HA -0.228 nan 4.420 nan 0.000 0.216 224 P C 1.543 178.876 177.300 0.055 0.000 1.153 224 P CA 1.659 64.796 63.100 0.062 0.000 0.858 224 P CB -0.125 31.605 31.700 0.051 0.000 0.789 225 Y N 0.415 120.622 120.300 -0.155 0.000 2.220 225 Y HA -0.149 4.406 4.550 0.009 0.000 0.291 225 Y C 2.127 177.960 175.900 -0.113 0.000 1.129 225 Y CA 1.153 59.117 58.100 -0.227 0.000 1.161 225 Y CB -0.787 37.321 38.460 -0.587 0.000 0.997 225 Y HN -0.216 nan 8.280 nan 0.000 0.522 226 V N -1.965 118.029 119.914 0.133 0.000 2.667 226 V HA -0.214 3.912 4.120 0.009 0.000 0.252 226 V C 1.918 178.018 176.094 0.009 0.000 1.065 226 V CA 1.793 64.133 62.300 0.067 0.000 1.083 226 V CB -1.459 30.384 31.823 0.033 0.000 0.692 226 V HN 0.462 nan 8.190 nan 0.000 0.468 227 Y N 2.114 122.361 120.300 -0.089 0.000 2.206 227 Y HA -0.005 4.550 4.550 0.009 0.000 0.292 227 Y C 2.337 178.171 175.900 -0.109 0.000 1.123 227 Y CA 2.235 60.270 58.100 -0.109 0.000 1.142 227 Y CB -0.376 38.031 38.460 -0.087 0.000 1.006 227 Y HN 0.296 nan 8.280 nan 0.000 0.518 228 N N -0.639 118.024 118.700 -0.061 0.000 2.216 228 N HA -0.143 4.603 4.740 0.009 0.000 0.183 228 N C 1.836 177.197 175.510 -0.248 0.000 1.017 228 N CA 0.607 53.549 53.050 -0.179 0.000 0.861 228 N CB -0.108 38.285 38.487 -0.157 0.000 0.986 228 N HN 0.104 nan 8.380 nan 0.000 0.428 229 R N 1.592 121.928 120.500 -0.273 0.000 2.073 229 R HA 0.005 4.351 4.340 0.009 0.000 0.234 229 R C 1.814 178.077 176.300 -0.063 0.000 1.134 229 R CA 1.218 57.204 56.100 -0.190 0.000 0.952 229 R CB -0.510 29.738 30.300 -0.086 0.000 0.850 229 R HN 0.217 nan 8.270 nan 0.000 0.433 230 I N 0.434 120.976 120.570 -0.045 0.000 2.226 230 I HA -0.277 3.898 4.170 0.009 0.000 0.245 230 I C 2.408 178.547 176.117 0.038 0.000 1.100 230 I CA 1.474 62.824 61.300 0.084 0.000 1.374 230 I CB -0.300 37.636 38.000 -0.106 0.000 1.057 230 I HN 0.252 nan 8.210 nan 0.000 0.413 231 K N 1.116 121.404 120.400 -0.187 0.000 2.020 231 K HA -0.240 4.085 4.320 0.009 0.000 0.212 231 K C 1.892 178.419 176.600 -0.122 0.000 1.050 231 K CA 2.048 58.209 56.287 -0.210 0.000 0.929 231 K CB -0.056 32.253 32.500 -0.318 0.000 0.714 231 K HN 0.226 nan 8.250 nan 0.000 0.443 232 N N 0.488 119.112 118.700 -0.128 0.000 2.223 232 N HA -0.125 4.620 4.740 0.009 0.000 0.185 232 N C 1.725 177.149 175.510 -0.143 0.000 1.016 232 N CA 1.344 54.320 53.050 -0.124 0.000 0.863 232 N CB -0.074 38.334 38.487 -0.133 0.000 0.983 232 N HN 0.335 nan 8.380 nan 0.000 0.429 233 I N -1.470 119.001 120.570 -0.164 0.000 2.556 233 I HA -0.025 4.150 4.170 0.009 0.000 0.251 233 I C 0.673 176.493 176.117 -0.494 0.000 1.105 233 I CA 0.744 61.810 61.300 -0.389 0.000 1.436 233 I CB 0.011 37.655 38.000 -0.593 0.000 1.139 233 I HN -0.084 nan 8.210 nan 0.000 0.438 234 F N 0.940 120.829 119.950 -0.102 0.000 2.678 234 F HA 0.476 5.009 4.527 0.009 0.000 0.305 234 F C 1.106 176.846 175.800 -0.099 0.000 1.090 234 F CA 0.002 57.947 58.000 -0.092 0.000 1.272 234 F CB 0.017 38.960 39.000 -0.096 0.000 1.060 234 F HN 0.078 nan 8.300 nan 0.000 0.576 235 G N 0.961 109.777 108.800 0.026 0.000 2.712 235 G HA2 -0.242 3.724 3.960 0.009 0.000 0.686 235 G HA3 -0.242 3.724 3.960 0.009 0.000 0.686 235 G C 0.369 175.230 174.900 -0.065 0.000 1.321 235 G CA -0.178 44.906 45.100 -0.026 0.000 0.813 235 G HN 0.287 nan 8.290 nan 0.000 0.599 236 E N -0.224 119.924 120.200 -0.086 0.000 2.204 236 E HA -0.116 4.239 4.350 0.009 0.000 0.195 236 E C 2.564 179.104 176.600 -0.100 0.000 0.990 236 E CA 1.641 57.967 56.400 -0.124 0.000 0.821 236 E CB -0.095 29.565 29.700 -0.067 0.000 0.750 236 E HN 0.530 nan 8.360 nan 0.000 0.477 237 S N -0.782 114.883 115.700 -0.058 0.000 2.355 237 S HA -0.124 4.352 4.470 0.009 0.000 0.222 237 S C 1.896 176.461 174.600 -0.057 0.000 1.031 237 S CA 1.752 59.927 58.200 -0.042 0.000 0.993 237 S CB -0.267 62.918 63.200 -0.024 0.000 0.859 237 S HN 0.382 nan 8.310 nan 0.000 0.453 238 T N 1.919 116.434 114.554 -0.065 0.000 2.867 238 T HA 0.082 4.437 4.350 0.009 0.000 0.268 238 T C 2.035 176.638 174.700 -0.163 0.000 1.057 238 T CA 1.071 63.111 62.100 -0.099 0.000 1.136 238 T CB -0.582 68.237 68.868 -0.083 0.000 0.874 238 T HN 0.469 nan 8.240 nan 0.000 0.466 239 A N 1.987 124.686 122.820 -0.203 0.000 1.902 239 A HA -0.117 4.209 4.320 0.009 0.000 0.217 239 A C 2.195 179.713 177.584 -0.109 0.000 1.181 239 A CA 1.556 53.415 52.037 -0.297 0.000 0.623 239 A CB -0.524 18.061 19.000 -0.690 0.000 0.818 239 A HN 0.367 nan 8.150 nan 0.000 0.443 240 K N -0.093 120.292 120.400 -0.026 0.000 2.520 240 K HA -0.072 4.253 4.320 0.009 0.000 0.197 240 K C 1.841 178.435 176.600 -0.010 0.000 1.043 240 K CA 0.756 57.076 56.287 0.054 0.000 0.944 240 K CB -0.146 32.373 32.500 0.031 0.000 0.770 240 K HN 0.458 nan 8.250 nan 0.000 0.480 241 R N 0.004 120.460 120.500 -0.073 0.000 2.235 241 R HA -0.028 4.317 4.340 0.009 0.000 0.213 241 R C 1.688 177.912 176.300 -0.126 0.000 1.059 241 R CA 0.643 56.692 56.100 -0.085 0.000 0.997 241 R CB -0.257 29.976 30.300 -0.111 0.000 0.884 241 R HN 0.235 nan 8.270 nan 0.000 0.462 242 L N 0.417 121.503 121.223 -0.228 0.000 2.191 242 L HA -0.076 4.269 4.340 0.009 0.000 0.212 242 L C 1.266 178.135 176.870 -0.003 0.000 1.103 242 L CA 0.694 55.282 54.840 -0.419 0.000 0.769 242 L CB -0.135 41.669 42.059 -0.423 0.000 0.908 242 L HN -0.020 nan 8.230 nan 0.000 0.438 243 S N -0.265 115.453 115.700 0.031 0.000 2.438 243 S HA 0.257 4.732 4.470 0.009 0.000 0.293 243 S C -1.400 173.195 174.600 -0.009 0.000 1.141 243 S CA -1.755 56.478 58.200 0.055 0.000 1.080 243 S CB 1.055 64.293 63.200 0.064 0.000 0.978 243 S HN -0.089 nan 8.310 nan 0.000 0.479 244 P HA -0.148 nan 4.420 nan 0.000 0.218 244 P C 0.286 177.460 177.300 -0.210 0.000 1.146 244 P CA 1.444 64.423 63.100 -0.202 0.000 0.820 244 P CB -0.127 31.348 31.700 -0.374 0.000 0.778 245 H N -1.073 118.002 119.070 0.009 0.000 2.505 245 H HA 0.279 4.840 4.556 0.009 0.000 0.286 245 H C 0.619 175.851 175.328 -0.161 0.000 1.072 245 H CA -0.257 55.711 56.048 -0.133 0.000 1.141 245 H CB 0.197 29.713 29.762 -0.411 0.000 1.550 245 H HN -0.026 nan 8.280 nan 0.000 0.547 246 R N 0.148 120.642 120.500 -0.011 0.000 3.863 246 R HA -0.203 4.142 4.340 0.009 0.000 0.313 246 R C 0.153 176.418 176.300 -0.058 0.000 1.202 246 R CA 0.524 56.610 56.100 -0.023 0.000 0.852 246 R CB -2.324 27.965 30.300 -0.019 0.000 1.292 246 R HN 0.411 nan 8.270 nan 0.000 0.519 247 K N 1.412 121.757 120.400 -0.091 0.000 2.323 247 K HA 0.384 4.710 4.320 0.009 0.000 0.259 247 K C -0.431 176.157 176.600 -0.021 0.000 0.947 247 K CA -0.075 56.099 56.287 -0.188 0.000 0.819 247 K CB 1.406 33.586 32.500 -0.533 0.000 1.109 247 K HN 0.171 nan 8.250 nan 0.000 0.429 248 T N 0.693 115.254 114.554 0.012 0.000 2.893 248 T HA 0.448 4.804 4.350 0.009 0.000 0.293 248 T C -0.813 173.928 174.700 0.069 0.000 1.027 248 T CA -1.010 61.143 62.100 0.087 0.000 0.988 248 T CB 1.691 70.543 68.868 -0.028 0.000 1.043 248 T HN 0.620 nan 8.240 nan 0.000 0.461 249 R N 1.862 122.426 120.500 0.107 0.000 2.437 249 R HA 0.675 5.020 4.340 0.009 0.000 0.310 249 R C -1.487 174.794 176.300 -0.031 0.000 0.955 249 R CA -0.708 55.431 56.100 0.066 0.000 0.851 249 R CB 1.484 31.875 30.300 0.153 0.000 1.161 249 R HN 0.620 nan 8.270 nan 0.000 0.446 250 V N 4.672 124.571 119.914 -0.026 0.000 2.394 250 V HA 0.347 4.473 4.120 0.009 0.000 0.282 250 V C -0.242 175.840 176.094 -0.020 0.000 1.031 250 V CA -0.584 61.693 62.300 -0.040 0.000 0.881 250 V CB 1.543 33.368 31.823 0.003 0.000 0.982 250 V HN 0.687 nan 8.190 nan 0.000 0.451 251 K N 3.400 123.782 120.400 -0.029 0.000 2.483 251 K HA 0.540 4.865 4.320 0.009 0.000 0.256 251 K C -1.078 175.512 176.600 -0.017 0.000 0.961 251 K CA -0.497 55.776 56.287 -0.024 0.000 0.873 251 K CB 1.927 34.405 32.500 -0.037 0.000 1.107 251 K HN 0.499 nan 8.250 nan 0.000 0.432 252 V N 7.804 127.712 119.914 -0.009 0.000 2.221 252 V HA 0.249 4.375 4.120 0.009 0.000 0.258 252 V C 0.066 176.156 176.094 -0.006 0.000 1.179 252 V CA -0.352 61.947 62.300 -0.001 0.000 1.022 252 V CB 0.204 32.031 31.823 0.005 0.000 1.228 252 V HN 0.791 nan 8.190 nan 0.000 0.487 253 I N 5.356 125.921 120.570 -0.009 0.000 2.528 253 I HA 0.347 4.523 4.170 0.009 0.000 0.276 253 I C 1.038 177.154 176.117 -0.002 0.000 1.056 253 I CA 0.029 61.321 61.300 -0.015 0.000 1.858 253 I CB -0.276 37.706 38.000 -0.029 0.000 1.448 253 I HN 0.781 nan 8.210 nan 0.000 0.776 254 E N 3.433 123.636 120.200 0.004 0.000 2.415 254 E HA -0.016 4.339 4.350 0.009 0.000 0.263 254 E C -0.123 176.484 176.600 0.011 0.000 0.995 254 E CA -0.141 56.269 56.400 0.016 0.000 0.915 254 E CB 0.289 29.998 29.700 0.015 0.000 0.951 254 E HN 0.663 nan 8.360 nan 0.000 0.449 255 N N 1.607 120.325 118.700 0.032 0.000 2.317 255 N HA 0.096 4.841 4.740 0.009 0.000 0.245 255 N C 1.137 176.638 175.510 -0.016 0.000 1.294 255 N CA -0.476 52.593 53.050 0.030 0.000 0.924 255 N CB 0.526 39.074 38.487 0.101 0.000 1.186 255 N HN 0.556 nan 8.380 nan 0.000 0.495 256 M N 0.809 120.349 119.600 -0.100 0.000 2.630 256 M HA -0.097 4.389 4.480 0.009 0.000 0.254 256 M C 0.273 176.361 176.300 -0.355 0.000 1.092 256 M CA 1.089 56.240 55.300 -0.248 0.000 1.087 256 M CB -0.586 31.797 32.600 -0.361 0.000 1.453 256 M HN 0.549 nan 8.290 nan 0.000 0.509 257 Y N -0.723 119.589 120.300 0.019 0.000 2.543 257 Y HA 0.415 4.971 4.550 0.009 0.000 0.249 257 Y C 1.939 177.859 175.900 0.034 0.000 1.081 257 Y CA 0.187 58.304 58.100 0.028 0.000 1.336 257 Y CB -0.926 37.554 38.460 0.033 0.000 1.208 257 Y HN 0.068 nan 8.280 nan 0.000 0.502 258 G N -0.407 108.534 108.800 0.234 0.000 2.753 258 G HA2 0.475 4.440 3.960 0.009 0.000 0.285 258 G HA3 0.475 4.440 3.960 0.009 0.000 0.285 258 G C -0.743 174.221 174.900 0.106 0.000 1.344 258 G CA -0.592 44.598 45.100 0.150 0.000 1.050 258 G HN 0.132 nan 8.290 nan 0.000 0.532 259 S N -1.117 114.641 115.700 0.095 0.000 2.632 259 S HA 0.632 5.107 4.470 0.009 0.000 0.271 259 S C 0.039 174.688 174.600 0.083 0.000 1.260 259 S CA -0.415 57.830 58.200 0.074 0.000 1.010 259 S CB 1.388 64.626 63.200 0.063 0.000 0.965 259 S HN 0.594 nan 8.310 nan 0.000 0.534 260 R N 1.189 121.726 120.500 0.061 0.000 2.522 260 R HA 0.260 4.606 4.340 0.009 0.000 0.283 260 R C -1.655 174.668 176.300 0.039 0.000 1.074 260 R CA -0.384 55.752 56.100 0.060 0.000 0.925 260 R CB 0.945 31.272 30.300 0.044 0.000 1.205 260 R HN 0.560 nan 8.270 nan 0.000 0.436 261 E N 5.402 125.630 120.200 0.046 0.000 2.183 261 E HA 0.380 4.735 4.350 0.009 0.000 0.271 261 E C -0.488 176.115 176.600 0.006 0.000 0.919 261 E CA -0.856 55.558 56.400 0.024 0.000 0.781 261 E CB 2.347 32.067 29.700 0.034 0.000 1.140 261 E HN 0.398 nan 8.360 nan 0.000 0.402 262 I N 3.969 124.526 120.570 -0.022 0.000 2.448 262 I HA 0.314 4.490 4.170 0.009 0.000 0.281 262 I C -0.163 175.908 176.117 -0.076 0.000 1.027 262 I CA -0.728 60.545 61.300 -0.045 0.000 1.111 262 I CB 0.775 38.742 38.000 -0.055 0.000 1.236 262 I HN 0.397 nan 8.210 nan 0.000 0.452 263 I N 5.410 125.914 120.570 -0.111 0.000 2.428 263 I HA 0.243 4.418 4.170 0.009 0.000 0.289 263 I C 0.544 176.569 176.117 -0.153 0.000 1.019 263 I CA 0.361 61.538 61.300 -0.207 0.000 1.351 263 I CB 1.344 39.104 38.000 -0.400 0.000 1.412 263 I HN 0.452 nan 8.210 nan 0.000 0.513 264 T N 7.220 121.692 114.554 -0.138 0.000 2.842 264 T HA 0.498 4.854 4.350 0.009 0.000 0.308 264 T C -0.193 174.474 174.700 -0.054 0.000 1.041 264 T CA -0.525 61.512 62.100 -0.106 0.000 0.964 264 T CB 0.122 68.921 68.868 -0.114 0.000 0.972 264 T HN 0.219 nan 8.240 nan 0.000 0.460 265 L N 3.834 125.028 121.223 -0.049 0.000 2.283 265 L HA 0.434 4.779 4.340 0.009 0.000 0.287 265 L C -0.067 176.838 176.870 0.059 0.000 1.073 265 L CA -0.760 54.102 54.840 0.036 0.000 0.822 265 L CB -0.133 41.957 42.059 0.052 0.000 1.186 265 L HN 0.504 nan 8.230 nan 0.000 0.436 266 F N 2.165 122.106 119.950 -0.015 0.000 2.529 266 F HA 0.334 4.866 4.527 0.009 0.000 0.365 266 F C 1.496 177.304 175.800 0.013 0.000 1.102 266 F CA 1.191 59.203 58.000 0.019 0.000 1.271 266 F CB 0.993 40.004 39.000 0.017 0.000 1.120 266 F HN 0.723 nan 8.300 nan 0.000 0.579 267 G N 2.991 111.912 108.800 0.202 0.000 2.176 267 G HA2 -0.281 3.685 3.960 0.009 0.000 0.253 267 G HA3 -0.281 3.685 3.960 0.009 0.000 0.253 267 G C -0.096 174.843 174.900 0.064 0.000 0.979 267 G CA -0.042 45.132 45.100 0.123 0.000 0.641 267 G HN 0.541 nan 8.290 nan 0.000 0.530 268 I N 1.094 121.700 120.570 0.060 0.000 2.530 268 I HA 0.493 4.668 4.170 0.009 0.000 0.297 268 I C -0.180 175.973 176.117 0.059 0.000 1.011 268 I CA -0.828 60.517 61.300 0.076 0.000 1.107 268 I CB 2.277 40.353 38.000 0.128 0.000 1.285 268 I HN 0.003 nan 8.210 nan 0.000 0.436 269 S N 4.576 120.320 115.700 0.073 0.000 2.474 269 S HA 0.335 4.811 4.470 0.009 0.000 0.320 269 S C -0.224 174.434 174.600 0.096 0.000 1.067 269 S CA -0.552 57.687 58.200 0.064 0.000 1.127 269 S CB 0.850 64.082 63.200 0.054 0.000 0.971 269 S HN 0.273 nan 8.310 nan 0.000 0.472 270 V N 5.651 125.625 119.914 0.099 0.000 2.455 270 V HA 0.278 4.404 4.120 0.009 0.000 0.273 270 V C -0.020 176.169 176.094 0.159 0.000 1.045 270 V CA -0.111 62.270 62.300 0.135 0.000 0.976 270 V CB 0.465 32.355 31.823 0.112 0.000 0.993 270 V HN 0.722 nan 8.190 nan 0.000 0.475 271 L N 4.361 125.697 121.223 0.188 0.000 2.433 271 L HA 0.390 4.736 4.340 0.009 0.000 0.256 271 L C -0.029 176.975 176.870 0.223 0.000 1.063 271 L CA -0.482 54.502 54.840 0.241 0.000 0.922 271 L CB 1.231 43.411 42.059 0.202 0.000 1.238 271 L HN 0.555 nan 8.230 nan 0.000 0.466 272 D N 0.688 121.171 120.400 0.140 0.000 2.493 272 D HA -0.130 4.516 4.640 0.009 0.000 0.240 272 D C 0.646 176.990 176.300 0.073 0.000 1.142 272 D CA 0.478 54.514 54.000 0.060 0.000 0.872 272 D CB 0.929 41.679 40.800 -0.083 0.000 1.173 272 D HN 0.330 nan 8.370 nan 0.000 0.467 273 Y N 3.469 123.786 120.300 0.027 0.000 2.439 273 Y HA -0.076 4.480 4.550 0.009 0.000 0.292 273 Y C 2.158 178.022 175.900 -0.060 0.000 1.130 273 Y CA 0.703 58.886 58.100 0.138 0.000 1.254 273 Y CB 0.028 38.688 38.460 0.333 0.000 1.000 273 Y HN 0.555 nan 8.280 nan 0.000 0.554 274 I N -0.383 119.922 120.570 -0.441 0.000 2.286 274 I HA -0.318 3.857 4.170 0.009 0.000 0.248 274 I C 1.619 177.517 176.117 -0.366 0.000 1.115 274 I CA 1.727 62.610 61.300 -0.695 0.000 1.392 274 I CB -0.111 37.304 38.000 -0.975 0.000 1.065 274 I HN 0.154 nan 8.210 nan 0.000 0.418 275 D N 0.346 120.550 120.400 -0.325 0.000 2.149 275 D HA -0.118 4.527 4.640 0.009 0.000 0.201 275 D C 2.295 178.473 176.300 -0.204 0.000 0.972 275 D CA 1.129 54.909 54.000 -0.367 0.000 0.835 275 D CB -0.239 40.223 40.800 -0.564 0.000 0.966 275 D HN 0.341 nan 8.370 nan 0.000 0.476 276 L N -0.191 120.986 121.223 -0.077 0.000 2.046 276 L HA -0.204 4.142 4.340 0.009 0.000 0.208 276 L C 2.472 179.074 176.870 -0.445 0.000 1.077 276 L CA 1.039 55.775 54.840 -0.174 0.000 0.747 276 L CB -0.412 41.505 42.059 -0.237 0.000 0.896 276 L HN 0.041 nan 8.230 nan 0.000 0.432 277 Y N 0.938 121.050 120.300 -0.314 0.000 2.114 277 Y HA -0.284 4.271 4.550 0.009 0.000 0.284 277 Y C 2.631 178.429 175.900 -0.169 0.000 1.143 277 Y CA 1.701 59.784 58.100 -0.029 0.000 1.135 277 Y CB -0.053 38.593 38.460 0.310 0.000 0.980 277 Y HN -0.042 nan 8.280 nan 0.000 0.499 278 K N -0.074 120.273 120.400 -0.088 0.000 2.113 278 K HA -0.220 4.105 4.320 0.009 0.000 0.208 278 K C 2.236 178.568 176.600 -0.446 0.000 1.047 278 K CA 1.571 57.707 56.287 -0.251 0.000 0.928 278 K CB -0.113 32.174 32.500 -0.355 0.000 0.716 278 K HN 0.128 nan 8.250 nan 0.000 0.446 279 K N -0.301 119.735 120.400 -0.606 0.000 2.137 279 K HA -0.030 4.295 4.320 0.009 0.000 0.202 279 K C 1.262 177.228 176.600 -1.057 0.000 1.052 279 K CA 1.133 56.904 56.287 -0.861 0.000 0.961 279 K CB 0.265 32.144 32.500 -1.035 0.000 0.741 279 K HN 0.062 nan 8.250 nan 0.000 0.452 280 F N -0.229 119.272 119.950 -0.749 0.000 2.724 280 F HA 0.088 4.620 4.527 0.009 0.000 0.306 280 F C 2.145 177.634 175.800 -0.517 0.000 1.100 280 F CA 0.149 57.664 58.000 -0.809 0.000 1.255 280 F CB -0.119 38.184 39.000 -1.162 0.000 1.072 280 F HN -0.060 nan 8.300 nan 0.000 0.589 281 S N -0.423 115.054 115.700 -0.371 0.000 2.428 281 S HA -0.155 4.321 4.470 0.009 0.000 0.230 281 S C 0.860 175.503 174.600 0.072 0.000 1.014 281 S CA 0.214 58.358 58.200 -0.093 0.000 0.957 281 S CB -1.035 61.678 63.200 -0.811 0.000 0.784 281 S HN 0.235 nan 8.310 nan 0.000 0.499 282 F N 2.298 122.203 119.950 -0.075 0.000 3.067 282 F HA -0.158 4.375 4.527 0.009 0.000 0.279 282 F C 0.428 176.214 175.800 -0.023 0.000 0.945 282 F CA 0.978 58.961 58.000 -0.029 0.000 0.948 282 F CB -2.389 36.621 39.000 0.017 0.000 0.898 282 F HN 0.540 nan 8.300 nan 0.000 0.746 283 T N -2.486 112.081 114.554 0.022 0.000 3.170 283 T HA 0.439 4.794 4.350 0.009 0.000 0.315 283 T C -0.647 174.063 174.700 0.017 0.000 0.967 283 T CA -0.990 61.122 62.100 0.020 0.000 1.024 283 T CB 1.566 70.417 68.868 -0.028 0.000 1.018 283 T HN 0.137 nan 8.240 nan 0.000 0.449 284 N N 3.483 122.197 118.700 0.023 0.000 2.442 284 N HA 0.208 4.953 4.740 0.009 0.000 0.265 284 N C -0.363 175.111 175.510 -0.060 0.000 1.138 284 N CA -0.060 53.011 53.050 0.036 0.000 0.956 284 N CB 0.611 39.109 38.487 0.018 0.000 1.067 284 N HN 0.588 nan 8.380 nan 0.000 0.474 285 Q N 3.589 123.285 119.800 -0.173 0.000 2.257 285 Q HA 0.375 4.720 4.340 0.009 0.000 0.262 285 Q C -1.670 174.030 176.000 -0.500 0.000 0.997 285 Q CA -1.696 53.838 55.803 -0.449 0.000 0.873 285 Q CB 1.454 29.709 28.738 -0.805 0.000 1.312 285 Q HN 0.442 nan 8.270 nan 0.000 0.450 286 P HA -0.030 nan 4.420 nan 0.000 0.222 286 P C 0.167 177.050 177.300 -0.695 0.000 1.153 286 P CA 0.842 63.627 63.100 -0.524 0.000 0.798 286 P CB 0.545 31.986 31.700 -0.431 0.000 0.796 287 S N -2.046 113.077 115.700 -0.961 0.000 2.569 287 S HA 0.483 4.959 4.470 0.009 0.000 0.280 287 S C -1.146 173.055 174.600 -0.665 0.000 1.111 287 S CA -0.517 57.245 58.200 -0.729 0.000 0.887 287 S CB 0.599 63.359 63.200 -0.732 0.000 1.095 287 S HN -0.153 nan 8.310 nan 0.000 0.476 288 Y N 1.889 122.108 120.300 -0.136 0.000 2.720 288 Y HA 0.292 4.848 4.550 0.009 0.000 0.268 288 Y C 1.082 177.138 175.900 0.259 0.000 1.142 288 Y CA -0.427 57.715 58.100 0.069 0.000 1.193 288 Y CB 0.381 38.854 38.460 0.021 0.000 1.176 288 Y HN 0.636 nan 8.280 nan 0.000 0.542 289 S N -0.504 115.323 115.700 0.212 0.000 2.565 289 S HA 0.060 4.535 4.470 0.009 0.000 0.276 289 S C 1.192 175.820 174.600 0.048 0.000 1.326 289 S CA -0.649 57.672 58.200 0.201 0.000 1.045 289 S CB 1.333 64.585 63.200 0.086 0.000 0.918 289 S HN 0.410 nan 8.310 nan 0.000 0.505 290 L N 1.641 122.730 121.223 -0.222 0.000 2.081 290 L HA -0.117 4.229 4.340 0.009 0.000 0.212 290 L C 1.851 178.473 176.870 -0.413 0.000 1.080 290 L CA 1.942 56.315 54.840 -0.778 0.000 0.754 290 L CB -1.104 40.428 42.059 -0.878 0.000 0.893 290 L HN 0.822 nan 8.230 nan 0.000 0.433 291 D N -1.664 118.617 120.400 -0.198 0.000 2.117 291 D HA -0.264 4.381 4.640 0.009 0.000 0.197 291 D C 1.965 178.214 176.300 -0.085 0.000 0.987 291 D CA 1.652 55.575 54.000 -0.128 0.000 0.829 291 D CB -0.135 40.629 40.800 -0.061 0.000 0.961 291 D HN 0.487 nan 8.370 nan 0.000 0.460 292 Y N 1.447 121.670 120.300 -0.128 0.000 2.163 292 Y HA -0.187 4.369 4.550 0.009 0.000 0.288 292 Y C 2.289 178.138 175.900 -0.085 0.000 1.136 292 Y CA 1.164 59.211 58.100 -0.089 0.000 1.147 292 Y CB -0.060 38.341 38.460 -0.098 0.000 0.987 292 Y HN -0.120 nan 8.280 nan 0.000 0.509 293 I N -0.742 119.816 120.570 -0.020 0.000 2.315 293 I HA -0.256 3.920 4.170 0.009 0.000 0.248 293 I C 2.352 178.404 176.117 -0.108 0.000 1.117 293 I CA 1.364 62.603 61.300 -0.103 0.000 1.404 293 I CB -1.636 36.174 38.000 -0.317 0.000 1.071 293 I HN 0.185 nan 8.210 nan 0.000 0.419 294 S N 0.638 116.215 115.700 -0.205 0.000 2.356 294 S HA -0.185 4.291 4.470 0.009 0.000 0.223 294 S C 1.896 176.425 174.600 -0.118 0.000 1.032 294 S CA 1.264 59.360 58.200 -0.174 0.000 1.005 294 S CB -0.212 62.861 63.200 -0.212 0.000 0.867 294 S HN 0.491 nan 8.310 nan 0.000 0.449 295 E N 0.122 120.235 120.200 -0.145 0.000 2.051 295 E HA -0.148 4.207 4.350 0.009 0.000 0.192 295 E C 1.815 178.339 176.600 -0.127 0.000 0.991 295 E CA 1.201 57.508 56.400 -0.154 0.000 0.799 295 E CB -0.226 29.345 29.700 -0.214 0.000 0.748 295 E HN 0.506 nan 8.360 nan 0.000 0.449 296 F N 1.883 121.666 119.950 -0.279 0.000 2.102 296 F HA -0.190 4.343 4.527 0.010 0.000 0.298 296 F C 2.160 177.918 175.800 -0.070 0.000 1.105 296 F CA 1.410 59.296 58.000 -0.189 0.000 1.239 296 F CB 0.205 39.103 39.000 -0.171 0.000 0.991 296 F HN -0.098 nan 8.300 nan 0.000 0.474 297 E N 0.059 120.372 120.200 0.189 0.000 2.122 297 E HA 0.004 4.360 4.350 0.009 0.000 0.190 297 E C 2.083 178.686 176.600 0.004 0.000 0.977 297 E CA 1.153 57.638 56.400 0.141 0.000 0.820 297 E CB -0.038 29.789 29.700 0.213 0.000 0.770 297 E HN 0.472 nan 8.360 nan 0.000 0.462 298 L N 0.002 121.205 121.223 -0.033 0.000 2.781 298 L HA 0.204 4.550 4.340 0.009 0.000 0.245 298 L C -0.091 176.742 176.870 -0.061 0.000 1.118 298 L CA -0.185 54.630 54.840 -0.040 0.000 0.918 298 L CB 0.100 42.121 42.059 -0.063 0.000 1.246 298 L HN -0.103 nan 8.230 nan 0.000 0.526 299 N N 0.645 119.292 118.700 -0.089 0.000 2.754 299 N HA -0.125 4.621 4.740 0.009 0.000 0.248 299 N C -0.630 174.829 175.510 -0.085 0.000 1.093 299 N CA 0.554 53.546 53.050 -0.096 0.000 0.699 299 N CB -1.598 36.836 38.487 -0.090 0.000 1.016 299 N HN 0.128 nan 8.380 nan 0.000 0.552 300 V N -0.529 119.333 119.914 -0.087 0.000 2.417 300 V HA 0.707 4.832 4.120 0.009 0.000 0.291 300 V C 1.476 177.520 176.094 -0.083 0.000 1.024 300 V CA -0.671 61.583 62.300 -0.076 0.000 0.861 300 V CB 1.725 33.505 31.823 -0.070 0.000 0.985 300 V HN 0.278 nan 8.190 nan 0.000 0.436 301 G N 3.721 112.479 108.800 -0.069 0.000 2.690 301 G HA2 0.229 4.194 3.960 0.009 0.000 0.239 301 G HA3 0.229 4.194 3.960 0.009 0.000 0.239 301 G C 0.149 175.001 174.900 -0.081 0.000 1.233 301 G CA -0.516 44.543 45.100 -0.069 0.000 0.847 301 G HN 0.951 nan 8.290 nan 0.000 0.588 302 K N -0.379 119.971 120.400 -0.083 0.000 2.276 302 K HA 0.198 4.524 4.320 0.009 0.000 0.259 302 K C -0.239 176.277 176.600 -0.141 0.000 1.001 302 K CA -0.443 55.780 56.287 -0.107 0.000 0.927 302 K CB 0.699 33.150 32.500 -0.082 0.000 0.969 302 K HN 0.239 nan 8.250 nan 0.000 0.490 303 L N 2.665 123.735 121.223 -0.255 0.000 2.454 303 L HA 0.124 4.470 4.340 0.009 0.000 0.284 303 L C 0.655 177.344 176.870 -0.301 0.000 1.139 303 L CA -0.470 54.041 54.840 -0.548 0.000 0.911 303 L CB -0.118 41.258 42.059 -1.137 0.000 1.262 303 L HN 0.611 nan 8.230 nan 0.000 0.453 304 K N 4.884 125.280 120.400 -0.006 0.000 2.298 304 K HA 0.207 4.532 4.320 0.009 0.000 0.280 304 K C -1.129 175.696 176.600 0.375 0.000 1.032 304 K CA -0.082 56.265 56.287 0.100 0.000 0.958 304 K CB 0.854 33.395 32.500 0.068 0.000 0.978 304 K HN 0.471 nan 8.250 nan 0.000 0.472 305 Y N -0.269 120.141 120.300 0.183 0.000 2.571 305 Y HA 0.404 4.959 4.550 0.009 0.000 0.341 305 Y C -1.117 174.856 175.900 0.123 0.000 1.076 305 Y CA -1.365 56.858 58.100 0.204 0.000 1.029 305 Y CB 0.989 39.619 38.460 0.284 0.000 1.308 305 Y HN 0.372 nan 8.280 nan 0.000 0.461 306 D N 1.502 122.048 120.400 0.244 0.000 2.255 306 D HA 0.492 5.137 4.640 0.009 0.000 0.249 306 D C 0.626 177.051 176.300 0.208 0.000 1.078 306 D CA 1.429 55.511 54.000 0.137 0.000 0.896 306 D CB 1.498 42.362 40.800 0.108 0.000 1.194 306 D HN 1.175 nan 8.370 nan 0.000 0.429 307 G N 2.113 110.986 108.800 0.122 0.000 2.796 307 G HA2 -0.173 3.792 3.960 0.009 0.000 0.226 307 G HA3 -0.173 3.792 3.960 0.009 0.000 0.226 307 G C -2.593 172.441 174.900 0.224 0.000 1.381 307 G CA -1.163 44.021 45.100 0.140 0.000 0.867 307 G HN 0.427 nan 8.290 nan 0.000 0.552 308 P HA 0.273 nan 4.420 nan 0.000 0.268 308 P C 1.262 178.735 177.300 0.289 0.000 1.205 308 P CA -0.243 62.986 63.100 0.216 0.000 0.771 308 P CB 0.608 32.380 31.700 0.121 0.000 0.858 309 I N 2.920 123.686 120.570 0.327 0.000 2.264 309 I HA -0.303 3.872 4.170 0.009 0.000 0.248 309 I C 1.885 178.047 176.117 0.075 0.000 1.111 309 I CA 2.193 63.580 61.300 0.146 0.000 1.382 309 I CB -0.743 37.339 38.000 0.136 0.000 1.060 309 I HN 0.380 nan 8.210 nan 0.000 0.418 310 S N 1.645 117.381 115.700 0.060 0.000 2.365 310 S HA -0.293 4.182 4.470 0.009 0.000 0.225 310 S C 1.805 176.379 174.600 -0.043 0.000 1.039 310 S CA 1.684 59.871 58.200 -0.021 0.000 1.033 310 S CB -0.985 62.179 63.200 -0.060 0.000 0.887 310 S HN 0.761 nan 8.310 nan 0.000 0.447 311 K N 0.723 121.124 120.400 0.002 0.000 2.437 311 K HA 0.365 4.690 4.320 0.009 0.000 0.198 311 K C 1.555 178.165 176.600 0.017 0.000 1.024 311 K CA -0.071 56.212 56.287 -0.005 0.000 1.148 311 K CB -0.128 32.383 32.500 0.019 0.000 0.860 311 K HN 0.247 nan 8.250 nan 0.000 0.515 312 L N 1.938 123.187 121.223 0.044 0.000 2.131 312 L HA -0.053 4.292 4.340 0.009 0.000 0.210 312 L C 2.395 179.263 176.870 -0.002 0.000 1.092 312 L CA 1.555 56.443 54.840 0.080 0.000 0.759 312 L CB -0.386 41.717 42.059 0.072 0.000 0.903 312 L HN 0.237 nan 8.230 nan 0.000 0.435 313 R N -0.733 119.584 120.500 -0.305 0.000 2.092 313 R HA -0.191 4.155 4.340 0.009 0.000 0.231 313 R C 2.242 178.444 176.300 -0.163 0.000 1.119 313 R CA 1.677 57.426 56.100 -0.584 0.000 0.970 313 R CB -0.063 29.648 30.300 -0.982 0.000 0.864 313 R HN 0.610 nan 8.270 nan 0.000 0.440 314 E N -0.548 119.593 120.200 -0.098 0.000 2.021 314 E HA -0.092 4.263 4.350 0.009 0.000 0.189 314 E C 1.808 178.416 176.600 0.012 0.000 0.980 314 E CA 1.217 57.599 56.400 -0.030 0.000 0.803 314 E CB 0.056 29.749 29.700 -0.013 0.000 0.766 314 E HN 0.156 nan 8.360 nan 0.000 0.449 315 S N 0.565 116.281 115.700 0.027 0.000 2.359 315 S HA -0.157 4.318 4.470 0.009 0.000 0.223 315 S C 1.019 175.656 174.600 0.061 0.000 1.039 315 S CA 1.360 59.590 58.200 0.050 0.000 1.042 315 S CB -0.123 63.120 63.200 0.071 0.000 0.915 315 S HN 0.229 nan 8.310 nan 0.000 0.439 316 N N -0.598 118.147 118.700 0.075 0.000 2.710 316 N HA 0.099 4.844 4.740 0.009 0.000 0.244 316 N C -0.010 175.573 175.510 0.120 0.000 1.321 316 N CA -0.235 52.867 53.050 0.087 0.000 0.758 316 N CB 0.221 38.752 38.487 0.074 0.000 1.284 316 N HN 0.355 nan 8.380 nan 0.000 0.530 317 H N 0.950 120.047 119.070 0.045 0.000 2.456 317 H HA -0.116 4.446 4.556 0.009 0.000 0.296 317 H C 1.197 176.639 175.328 0.191 0.000 1.079 317 H CA 1.702 57.802 56.048 0.086 0.000 1.322 317 H CB 0.744 30.544 29.762 0.063 0.000 1.388 317 H HN 0.488 nan 8.280 nan 0.000 0.538 318 Q N 0.925 120.771 119.800 0.077 0.000 1.993 318 Q HA -0.128 4.217 4.340 0.009 0.000 0.202 318 Q C 2.529 178.552 176.000 0.038 0.000 0.984 318 Q CA 1.429 57.283 55.803 0.084 0.000 0.837 318 Q CB -0.137 28.610 28.738 0.014 0.000 0.902 318 Q HN 0.247 nan 8.270 nan 0.000 0.423 319 R N -0.729 119.724 120.500 -0.077 0.000 2.083 319 R HA -0.193 4.153 4.340 0.009 0.000 0.237 319 R C 2.258 178.364 176.300 -0.323 0.000 1.137 319 R CA 1.661 57.564 56.100 -0.329 0.000 0.951 319 R CB -1.059 29.056 30.300 -0.309 0.000 0.851 319 R HN 0.438 nan 8.270 nan 0.000 0.434 320 Y N 1.621 121.788 120.300 -0.222 0.000 2.014 320 Y HA -0.305 4.250 4.550 0.009 0.000 0.272 320 Y C 2.318 178.132 175.900 -0.143 0.000 1.164 320 Y CA 1.863 59.877 58.100 -0.143 0.000 1.114 320 Y CB -0.353 38.058 38.460 -0.082 0.000 0.961 320 Y HN -0.070 nan 8.280 nan 0.000 0.489 321 I N -0.788 119.733 120.570 -0.082 0.000 2.179 321 I HA -0.305 3.870 4.170 0.009 0.000 0.242 321 I C 2.550 178.488 176.117 -0.298 0.000 1.088 321 I CA 1.727 62.872 61.300 -0.259 0.000 1.357 321 I CB -1.693 36.021 38.000 -0.477 0.000 1.051 321 I HN 0.210 nan 8.210 nan 0.000 0.409 322 S N -0.025 115.582 115.700 -0.154 0.000 2.368 322 S HA -0.178 4.298 4.470 0.009 0.000 0.225 322 S C 1.985 176.613 174.600 0.047 0.000 1.030 322 S CA 1.129 59.321 58.200 -0.014 0.000 0.999 322 S CB -0.288 62.960 63.200 0.079 0.000 0.844 322 S HN 0.327 nan 8.310 nan 0.000 0.459 323 Y N 2.135 122.394 120.300 -0.068 0.000 2.293 323 Y HA 0.016 4.572 4.550 0.009 0.000 0.291 323 Y C 2.367 178.196 175.900 -0.118 0.000 1.137 323 Y CA -0.133 57.916 58.100 -0.085 0.000 1.202 323 Y CB -1.078 37.319 38.460 -0.105 0.000 0.990 323 Y HN 0.379 nan 8.280 nan 0.000 0.537 324 N N 0.508 119.193 118.700 -0.024 0.000 2.120 324 N HA -0.173 4.573 4.740 0.009 0.000 0.188 324 N C 1.773 177.301 175.510 0.031 0.000 1.024 324 N CA 1.314 54.336 53.050 -0.046 0.000 0.852 324 N CB -0.163 38.259 38.487 -0.108 0.000 1.003 324 N HN 0.292 nan 8.380 nan 0.000 0.424 325 I N 1.056 121.623 120.570 -0.005 0.000 2.179 325 I HA -0.265 3.911 4.170 0.009 0.000 0.242 325 I C 2.149 178.304 176.117 0.063 0.000 1.088 325 I CA 1.025 62.333 61.300 0.014 0.000 1.357 325 I CB -0.201 37.728 38.000 -0.118 0.000 1.051 325 I HN 0.137 nan 8.210 nan 0.000 0.409 326 I N 0.710 121.324 120.570 0.074 0.000 2.361 326 I HA -0.260 3.915 4.170 0.009 0.000 0.251 326 I C 2.754 178.938 176.117 0.111 0.000 1.133 326 I CA 1.168 62.538 61.300 0.116 0.000 1.413 326 I CB -0.498 37.583 38.000 0.134 0.000 1.073 326 I HN 0.180 nan 8.210 nan 0.000 0.424 327 A N 0.426 123.285 122.820 0.064 0.000 1.902 327 A HA -0.154 4.172 4.320 0.009 0.000 0.217 327 A C 2.449 180.068 177.584 0.059 0.000 1.181 327 A CA 1.776 53.820 52.037 0.012 0.000 0.623 327 A CB -0.931 18.068 19.000 -0.002 0.000 0.818 327 A HN 0.241 nan 8.150 nan 0.000 0.443 328 V N -1.542 118.468 119.914 0.159 0.000 2.427 328 V HA -0.233 3.893 4.120 0.009 0.000 0.248 328 V C 2.339 178.587 176.094 0.257 0.000 1.051 328 V CA 1.979 64.418 62.300 0.232 0.000 1.048 328 V CB -0.902 31.141 31.823 0.367 0.000 0.666 328 V HN 0.713 nan 8.190 nan 0.000 0.456 329 Y N 1.305 121.693 120.300 0.147 0.000 2.242 329 Y HA -0.182 4.373 4.550 0.009 0.000 0.291 329 Y C 2.596 178.493 175.900 -0.005 0.000 1.137 329 Y CA 1.684 59.853 58.100 0.115 0.000 1.181 329 Y CB -0.288 38.169 38.460 -0.005 0.000 0.989 329 Y HN 0.088 nan 8.280 nan 0.000 0.527 330 R N -0.507 119.913 120.500 -0.134 0.000 2.091 330 R HA -0.134 4.211 4.340 0.009 0.000 0.238 330 R C 2.308 178.429 176.300 -0.299 0.000 1.136 330 R CA 1.607 57.543 56.100 -0.274 0.000 0.959 330 R CB -0.808 29.360 30.300 -0.220 0.000 0.856 330 R HN 0.275 nan 8.270 nan 0.000 0.437 331 V N 0.807 120.583 119.914 -0.229 0.000 2.332 331 V HA -0.268 3.858 4.120 0.009 0.000 0.248 331 V C 2.197 178.080 176.094 -0.351 0.000 1.055 331 V CA 1.795 63.933 62.300 -0.270 0.000 1.038 331 V CB -0.450 31.308 31.823 -0.109 0.000 0.651 331 V HN 0.309 nan 8.190 nan 0.000 0.450 332 L N -0.529 120.529 121.223 -0.274 0.000 2.042 332 L HA -0.260 4.085 4.340 0.009 0.000 0.210 332 L C 2.739 179.426 176.870 -0.306 0.000 1.076 332 L CA 1.749 56.421 54.840 -0.281 0.000 0.749 332 L CB -0.546 41.360 42.059 -0.254 0.000 0.893 332 L HN 0.417 nan 8.230 nan 0.000 0.432 333 Q N -0.276 119.274 119.800 -0.417 0.000 2.119 333 Q HA -0.168 4.178 4.340 0.009 0.000 0.201 333 Q C 2.295 178.169 176.000 -0.210 0.000 0.972 333 Q CA 1.298 56.896 55.803 -0.343 0.000 0.847 333 Q CB -0.096 28.385 28.738 -0.429 0.000 0.903 333 Q HN 0.534 nan 8.270 nan 0.000 0.433 334 I N 1.008 121.448 120.570 -0.217 0.000 2.179 334 I HA -0.268 3.908 4.170 0.009 0.000 0.242 334 I C 2.047 178.099 176.117 -0.108 0.000 1.088 334 I CA 1.401 62.628 61.300 -0.121 0.000 1.357 334 I CB -0.198 37.750 38.000 -0.087 0.000 1.051 334 I HN 0.182 nan 8.210 nan 0.000 0.409 335 D N 0.854 121.137 120.400 -0.195 0.000 2.144 335 D HA -0.144 4.501 4.640 0.009 0.000 0.200 335 D C 2.161 178.420 176.300 -0.068 0.000 0.978 335 D CA 1.277 55.230 54.000 -0.078 0.000 0.833 335 D CB 0.074 40.803 40.800 -0.118 0.000 0.961 335 D HN 0.289 nan 8.370 nan 0.000 0.470 336 A N 0.348 123.112 122.820 -0.094 0.000 1.978 336 A HA -0.212 4.114 4.320 0.009 0.000 0.220 336 A C 2.120 179.657 177.584 -0.077 0.000 1.170 336 A CA 1.728 53.724 52.037 -0.068 0.000 0.636 336 A CB -0.547 18.415 19.000 -0.063 0.000 0.810 336 A HN 0.278 nan 8.150 nan 0.000 0.448 337 K N -1.657 118.687 120.400 -0.092 0.000 2.128 337 K HA -0.004 4.321 4.320 0.009 0.000 0.202 337 K C 1.969 178.481 176.600 -0.147 0.000 1.050 337 K CA 0.339 56.563 56.287 -0.104 0.000 0.966 337 K CB -0.018 32.439 32.500 -0.071 0.000 0.759 337 K HN 0.180 nan 8.250 nan 0.000 0.454 338 R N 0.487 120.853 120.500 -0.223 0.000 2.173 338 R HA 0.083 4.428 4.340 0.009 0.000 0.208 338 R C 0.319 176.362 176.300 -0.428 0.000 1.035 338 R CA 0.402 56.209 56.100 -0.487 0.000 1.004 338 R CB -0.059 29.597 30.300 -1.075 0.000 0.917 338 R HN 0.300 nan 8.270 nan 0.000 0.462 339 Q N -0.955 118.723 119.800 -0.202 0.000 2.489 339 Q HA -0.184 4.162 4.340 0.009 0.000 0.259 339 Q C 0.669 176.719 176.000 0.083 0.000 0.934 339 Q CA 0.703 56.476 55.803 -0.051 0.000 1.131 339 Q CB -2.231 26.466 28.738 -0.067 0.000 1.472 339 Q HN 0.218 nan 8.270 nan 0.000 0.560 340 F N -0.443 119.570 119.950 0.105 0.000 2.216 340 F HA -0.066 4.466 4.527 0.009 0.000 0.300 340 F C 2.349 178.141 175.800 -0.014 0.000 1.085 340 F CA 0.792 58.791 58.000 -0.002 0.000 1.326 340 F CB -0.492 38.517 39.000 0.014 0.000 1.027 340 F HN 0.196 nan 8.300 nan 0.000 0.497 341 I N -0.212 120.540 120.570 0.303 0.000 2.233 341 I HA -0.288 3.888 4.170 0.009 0.000 0.243 341 I C 2.325 178.500 176.117 0.096 0.000 1.093 341 I CA 1.350 62.771 61.300 0.202 0.000 1.380 341 I CB -0.472 37.680 38.000 0.253 0.000 1.067 341 I HN 0.110 nan 8.210 nan 0.000 0.413 342 N N 1.363 120.109 118.700 0.077 0.000 2.036 342 N HA -0.244 4.502 4.740 0.009 0.000 0.195 342 N C 1.986 177.496 175.510 -0.001 0.000 1.037 342 N CA 1.476 54.546 53.050 0.034 0.000 0.855 342 N CB -0.296 38.181 38.487 -0.017 0.000 1.033 342 N HN 0.166 nan 8.380 nan 0.000 0.423 343 L N 0.456 121.648 121.223 -0.052 0.000 2.043 343 L HA -0.153 4.193 4.340 0.009 0.000 0.212 343 L C 1.864 178.600 176.870 -0.224 0.000 1.075 343 L CA 1.887 56.627 54.840 -0.166 0.000 0.752 343 L CB -1.340 40.549 42.059 -0.284 0.000 0.891 343 L HN 0.284 nan 8.230 nan 0.000 0.432 344 S N -0.154 115.421 115.700 -0.209 0.000 2.402 344 S HA -0.115 4.360 4.470 0.009 0.000 0.229 344 S C 1.979 176.465 174.600 -0.191 0.000 1.021 344 S CA 0.990 59.062 58.200 -0.213 0.000 0.974 344 S CB -0.097 63.013 63.200 -0.150 0.000 0.800 344 S HN 0.411 nan 8.310 nan 0.000 0.484 345 L N 1.253 122.400 121.223 -0.128 0.000 2.072 345 L HA -0.104 4.241 4.340 0.009 0.000 0.205 345 L C 2.185 178.961 176.870 -0.156 0.000 1.079 345 L CA 0.997 55.722 54.840 -0.191 0.000 0.752 345 L CB -0.632 41.424 42.059 -0.006 0.000 0.906 345 L HN 0.174 nan 8.230 nan 0.000 0.436 346 D N 0.061 120.479 120.400 0.030 0.000 2.092 346 D HA -0.224 4.422 4.640 0.009 0.000 0.193 346 D C 2.298 178.619 176.300 0.036 0.000 0.994 346 D CA 1.597 55.663 54.000 0.111 0.000 0.828 346 D CB -0.148 40.698 40.800 0.076 0.000 0.963 346 D HN 0.286 nan 8.370 nan 0.000 0.450 347 M N 0.296 119.856 119.600 -0.068 0.000 2.099 347 M HA -0.052 4.433 4.480 0.009 0.000 0.262 347 M C 2.374 178.646 176.300 -0.046 0.000 1.067 347 M CA 1.663 56.921 55.300 -0.071 0.000 1.124 347 M CB -0.456 32.057 32.600 -0.144 0.000 1.353 347 M HN 0.033 nan 8.290 nan 0.000 0.410 348 G N -0.844 107.856 108.800 -0.166 0.000 2.442 348 G HA2 -0.227 3.739 3.960 0.009 0.000 0.219 348 G HA3 -0.227 3.739 3.960 0.009 0.000 0.219 348 G C 1.074 175.861 174.900 -0.189 0.000 1.141 348 G CA 0.890 45.851 45.100 -0.231 0.000 0.763 348 G HN 0.355 nan 8.290 nan 0.000 0.554 349 Y N -1.290 118.937 120.300 -0.122 0.000 2.365 349 Y HA 0.109 4.664 4.550 0.009 0.000 0.293 349 Y C 2.327 178.230 175.900 0.004 0.000 1.119 349 Y CA -0.126 57.893 58.100 -0.135 0.000 1.203 349 Y CB -0.690 37.539 38.460 -0.384 0.000 1.026 349 Y HN 0.312 nan 8.280 nan 0.000 0.549 350 Y N 0.197 120.542 120.300 0.074 0.000 2.274 350 Y HA -0.158 4.397 4.550 0.009 0.000 0.290 350 Y C 2.191 178.101 175.900 0.017 0.000 1.145 350 Y CA 1.478 59.604 58.100 0.043 0.000 1.203 350 Y CB -0.153 38.307 38.460 0.001 0.000 0.984 350 Y HN 0.010 nan 8.280 nan 0.000 0.533 351 A N -0.353 122.505 122.820 0.062 0.000 2.267 351 A HA 0.183 4.508 4.320 0.009 0.000 0.213 351 A C 0.784 178.385 177.584 0.028 0.000 1.192 351 A CA 0.181 52.209 52.037 -0.015 0.000 0.851 351 A CB -0.219 18.783 19.000 0.004 0.000 0.881 351 A HN 0.371 nan 8.150 nan 0.000 0.494 352 K N -0.001 120.456 120.400 0.095 0.000 3.393 352 K HA -0.158 4.167 4.320 0.009 0.000 0.272 352 K C -0.304 176.358 176.600 0.104 0.000 1.004 352 K CA 1.004 57.394 56.287 0.170 0.000 0.764 352 K CB -1.965 30.599 32.500 0.107 0.000 1.373 352 K HN 0.815 nan 8.250 nan 0.000 0.458 353 I N -3.373 117.259 120.570 0.103 0.000 3.067 353 I HA 0.313 4.489 4.170 0.009 0.000 0.312 353 I C 0.097 176.240 176.117 0.043 0.000 1.073 353 I CA -1.480 59.842 61.300 0.036 0.000 1.016 353 I CB 1.449 39.458 38.000 0.014 0.000 1.227 353 I HN -0.007 nan 8.210 nan 0.000 0.456 354 Q N 1.935 121.740 119.800 0.008 0.000 2.300 354 Q HA 0.136 4.481 4.340 0.009 0.000 0.280 354 Q C 0.949 176.937 176.000 -0.020 0.000 1.033 354 Q CA -0.342 55.476 55.803 0.024 0.000 0.903 354 Q CB 1.255 29.994 28.738 0.001 0.000 1.195 354 Q HN 0.522 nan 8.270 nan 0.000 0.386 355 I N 2.571 123.109 120.570 -0.053 0.000 2.185 355 I HA -0.344 3.832 4.170 0.009 0.000 0.246 355 I C 2.410 178.462 176.117 -0.109 0.000 1.088 355 I CA 1.682 62.895 61.300 -0.146 0.000 1.347 355 I CB -1.278 36.610 38.000 -0.186 0.000 1.041 355 I HN 0.782 nan 8.210 nan 0.000 0.415 356 Q N 0.421 120.199 119.800 -0.037 0.000 2.500 356 Q HA -0.079 4.266 4.340 0.009 0.000 0.213 356 Q C 1.480 177.505 176.000 0.042 0.000 0.974 356 Q CA 1.076 56.893 55.803 0.023 0.000 0.918 356 Q CB -0.589 28.194 28.738 0.074 0.000 0.980 356 Q HN 0.365 nan 8.270 nan 0.000 0.505 357 S N 1.130 116.821 115.700 -0.016 0.000 2.593 357 S HA 0.028 4.503 4.470 0.009 0.000 0.217 357 S C 1.783 176.356 174.600 -0.045 0.000 0.966 357 S CA 0.505 58.705 58.200 -0.000 0.000 0.914 357 S CB 0.081 63.279 63.200 -0.003 0.000 0.776 357 S HN 0.472 nan 8.310 nan 0.000 0.523 358 V N -1.379 118.440 119.914 -0.158 0.000 2.720 358 V HA -0.098 4.027 4.120 0.009 0.000 0.256 358 V C 1.594 177.572 176.094 -0.194 0.000 1.082 358 V CA 1.497 63.676 62.300 -0.203 0.000 1.101 358 V CB -1.282 30.378 31.823 -0.270 0.000 0.693 358 V HN 0.393 nan 8.190 nan 0.000 0.479 359 F N 1.394 121.320 119.950 -0.040 0.000 2.502 359 F HA 0.186 4.719 4.527 0.009 0.000 0.298 359 F C 1.786 177.531 175.800 -0.091 0.000 1.111 359 F CA 1.109 59.037 58.000 -0.120 0.000 1.445 359 F CB -0.348 38.555 39.000 -0.162 0.000 1.081 359 F HN 0.238 nan 8.300 nan 0.000 0.558 360 S N 0.860 116.621 115.700 0.102 0.000 2.461 360 S HA 0.290 4.765 4.470 0.009 0.000 0.322 360 S C -1.778 172.868 174.600 0.077 0.000 1.063 360 S CA -1.663 56.581 58.200 0.073 0.000 1.120 360 S CB 0.855 64.092 63.200 0.061 0.000 0.968 360 S HN -0.183 nan 8.310 nan 0.000 0.467 361 P HA -0.021 nan 4.420 nan 0.000 0.218 361 P C 1.158 178.597 177.300 0.231 0.000 1.149 361 P CA 0.561 63.759 63.100 0.163 0.000 0.817 361 P CB 0.114 31.918 31.700 0.173 0.000 0.785 362 I N -0.505 120.168 120.570 0.172 0.000 2.179 362 I HA -0.216 3.959 4.170 0.009 0.000 0.242 362 I C 2.293 178.622 176.117 0.353 0.000 1.088 362 I CA 1.675 63.130 61.300 0.257 0.000 1.357 362 I CB -0.582 37.577 38.000 0.266 0.000 1.051 362 I HN -0.190 nan 8.210 nan 0.000 0.409 363 K N -0.014 120.516 120.400 0.216 0.000 2.026 363 K HA -0.127 4.198 4.320 0.009 0.000 0.208 363 K C 2.145 178.841 176.600 0.160 0.000 1.048 363 K CA 1.974 58.361 56.287 0.167 0.000 0.929 363 K CB -0.671 31.881 32.500 0.086 0.000 0.713 363 K HN 0.336 nan 8.250 nan 0.000 0.439 364 T N -0.131 114.477 114.554 0.091 0.000 2.684 364 T HA -0.182 4.173 4.350 0.009 0.000 0.267 364 T C 1.756 176.447 174.700 -0.016 0.000 1.036 364 T CA 1.688 63.768 62.100 -0.033 0.000 1.148 364 T CB -0.363 68.397 68.868 -0.180 0.000 0.863 364 T HN 0.399 nan 8.240 nan 0.000 0.436 365 W N 1.161 122.589 121.300 0.214 0.000 2.418 365 W HA 0.004 4.669 4.660 0.009 0.000 0.292 365 W C 2.338 179.079 176.519 0.370 0.000 1.213 365 W CA 0.438 57.949 57.345 0.276 0.000 1.283 365 W CB -0.329 29.283 29.460 0.254 0.000 1.119 365 W HN 0.266 nan 8.180 nan 0.000 0.542 366 D N 0.118 120.904 120.400 0.643 0.000 2.133 366 D HA -0.222 4.423 4.640 0.009 0.000 0.195 366 D C 2.157 178.704 176.300 0.411 0.000 0.997 366 D CA 2.191 56.497 54.000 0.510 0.000 0.840 366 D CB -0.368 40.645 40.800 0.356 0.000 0.947 366 D HN 0.018 nan 8.370 nan 0.000 0.452 367 A N 0.065 123.078 122.820 0.321 0.000 1.855 367 A HA -0.094 4.231 4.320 0.009 0.000 0.215 367 A C 2.482 180.234 177.584 0.279 0.000 1.191 367 A CA 1.364 53.590 52.037 0.315 0.000 0.613 367 A CB -0.923 18.194 19.000 0.194 0.000 0.829 367 A HN 0.339 nan 8.150 nan 0.000 0.442 368 I N -0.164 120.522 120.570 0.193 0.000 2.113 368 I HA -0.333 3.842 4.170 0.009 0.000 0.242 368 I C 2.377 178.612 176.117 0.198 0.000 1.064 368 I CA 1.787 63.166 61.300 0.132 0.000 1.320 368 I CB -0.392 37.668 38.000 0.100 0.000 1.028 368 I HN 0.333 nan 8.210 nan 0.000 0.406 369 I N -0.164 120.600 120.570 0.323 0.000 2.179 369 I HA -0.325 3.850 4.170 0.009 0.000 0.242 369 I C 2.507 178.753 176.117 0.215 0.000 1.088 369 I CA 1.423 62.866 61.300 0.238 0.000 1.357 369 I CB -0.466 37.659 38.000 0.209 0.000 1.051 369 I HN 0.194 nan 8.210 nan 0.000 0.409 370 F N 2.525 122.576 119.950 0.168 0.000 2.065 370 F HA -0.301 4.232 4.527 0.009 0.000 0.298 370 F C 2.371 178.225 175.800 0.091 0.000 1.112 370 F CA 1.876 59.957 58.000 0.134 0.000 1.212 370 F CB -0.800 38.278 39.000 0.131 0.000 0.975 370 F HN 0.093 nan 8.300 nan 0.000 0.476 371 N N -0.043 118.423 118.700 -0.389 0.000 2.120 371 N HA -0.200 4.545 4.740 0.009 0.000 0.188 371 N C 2.202 177.551 175.510 -0.268 0.000 1.024 371 N CA 1.509 54.265 53.050 -0.489 0.000 0.852 371 N CB -0.729 37.616 38.487 -0.236 0.000 1.003 371 N HN 0.365 nan 8.380 nan 0.000 0.424 372 S N 0.661 116.288 115.700 -0.122 0.000 2.370 372 S HA -0.037 4.438 4.470 0.009 0.000 0.226 372 S C 1.870 176.430 174.600 -0.066 0.000 1.033 372 S CA 0.620 58.782 58.200 -0.062 0.000 1.011 372 S CB -0.029 63.173 63.200 0.002 0.000 0.852 372 S HN 0.094 nan 8.310 nan 0.000 0.457 373 L N 2.040 123.225 121.223 -0.063 0.000 2.056 373 L HA 0.053 4.398 4.340 0.009 0.000 0.207 373 L C 2.402 179.237 176.870 -0.059 0.000 1.078 373 L CA 1.691 56.509 54.840 -0.036 0.000 0.749 373 L CB -1.339 40.735 42.059 0.026 0.000 0.901 373 L HN 0.344 nan 8.230 nan 0.000 0.433 374 K N 0.667 120.971 120.400 -0.161 0.000 2.113 374 K HA -0.247 4.078 4.320 0.009 0.000 0.208 374 K C 1.765 178.332 176.600 -0.055 0.000 1.047 374 K CA 2.009 58.213 56.287 -0.138 0.000 0.928 374 K CB 0.128 32.412 32.500 -0.359 0.000 0.716 374 K HN 0.479 nan 8.250 nan 0.000 0.446 375 E N 0.160 120.315 120.200 -0.074 0.000 2.347 375 E HA -0.165 4.190 4.350 0.009 0.000 0.196 375 E C 1.036 177.632 176.600 -0.008 0.000 1.008 375 E CA 1.123 57.505 56.400 -0.031 0.000 0.852 375 E CB -0.054 29.624 29.700 -0.037 0.000 0.783 375 E HN 0.380 nan 8.360 nan 0.000 0.505 376 Q N 0.205 120.000 119.800 -0.007 0.000 2.222 376 Q HA 0.222 4.568 4.340 0.009 0.000 0.206 376 Q C -0.296 175.722 176.000 0.029 0.000 0.877 376 Q CA -0.155 55.652 55.803 0.005 0.000 0.958 376 Q CB 0.179 28.915 28.738 -0.003 0.000 1.075 376 Q HN 0.222 nan 8.270 nan 0.000 0.483 377 N N 0.974 119.701 118.700 0.045 0.000 2.708 377 N HA -0.156 4.589 4.740 0.009 0.000 0.251 377 N C -0.835 174.751 175.510 0.128 0.000 1.123 377 N CA 1.083 54.188 53.050 0.092 0.000 0.739 377 N CB -0.350 38.148 38.487 0.018 0.000 1.113 377 N HN 0.266 nan 8.380 nan 0.000 0.561 378 K N 0.510 120.955 120.400 0.075 0.000 2.118 378 K HA 0.480 4.806 4.320 0.009 0.000 0.264 378 K C 0.319 176.911 176.600 -0.013 0.000 1.000 378 K CA -0.466 55.855 56.287 0.057 0.000 0.929 378 K CB 1.705 34.225 32.500 0.034 0.000 1.021 378 K HN -0.154 nan 8.250 nan 0.000 0.463 379 V N 3.824 123.705 119.914 -0.055 0.000 2.417 379 V HA 0.327 4.453 4.120 0.009 0.000 0.291 379 V C 0.358 176.456 176.094 0.006 0.000 1.024 379 V CA -1.043 61.147 62.300 -0.183 0.000 0.861 379 V CB 1.149 32.733 31.823 -0.398 0.000 0.985 379 V HN 0.659 nan 8.190 nan 0.000 0.436 380 I N 3.609 124.223 120.570 0.073 0.000 2.519 380 I HA 0.540 4.716 4.170 0.009 0.000 0.287 380 I C -2.364 173.818 176.117 0.110 0.000 1.047 380 I CA -1.935 59.456 61.300 0.152 0.000 1.381 380 I CB 0.784 38.920 38.000 0.226 0.000 1.417 380 I HN 0.353 nan 8.210 nan 0.000 0.540 381 P HA 0.075 nan 4.420 nan 0.000 0.273 381 P C -1.165 176.132 177.300 -0.005 0.000 1.250 381 P CA -0.356 62.796 63.100 0.085 0.000 0.793 381 P CB 0.429 32.187 31.700 0.098 0.000 1.011 382 Q N 0.146 119.948 119.800 0.003 0.000 2.293 382 Q HA 0.382 4.727 4.340 0.009 0.000 0.251 382 Q C 0.196 176.152 176.000 -0.073 0.000 0.930 382 Q CA -0.585 55.199 55.803 -0.032 0.000 0.893 382 Q CB 0.363 29.085 28.738 -0.026 0.000 1.215 382 Q HN 0.605 nan 8.270 nan 0.000 0.425 383 G N 4.614 113.364 108.800 -0.083 0.000 2.439 383 G HA2 0.091 4.057 3.960 0.009 0.000 0.298 383 G HA3 0.091 4.057 3.960 0.009 0.000 0.298 383 G C -0.134 174.728 174.900 -0.062 0.000 1.044 383 G CA -0.478 44.577 45.100 -0.075 0.000 1.168 383 G HN 0.460 nan 8.290 nan 0.000 0.433 384 R N 1.124 121.585 120.500 -0.064 0.000 2.738 384 R HA 0.310 4.656 4.340 0.009 0.000 0.275 384 R C 0.846 176.962 176.300 -0.307 0.000 1.121 384 R CA -0.291 55.689 56.100 -0.199 0.000 1.207 384 R CB 0.437 30.564 30.300 -0.289 0.000 1.141 384 R HN 0.597 nan 8.270 nan 0.000 0.571 385 S N -0.145 115.283 115.700 -0.453 0.000 2.565 385 S HA 0.622 5.098 4.470 0.009 0.000 0.290 385 S C -0.709 173.445 174.600 -0.743 0.000 1.150 385 S CA -0.814 57.099 58.200 -0.478 0.000 1.058 385 S CB 1.317 64.324 63.200 -0.323 0.000 1.032 385 S HN 0.609 nan 8.310 nan 0.000 0.510 386 H N 0.160 118.985 119.070 -0.407 0.000 2.930 386 H HA 0.619 5.180 4.556 0.009 0.000 0.371 386 H C -2.673 172.451 175.328 -0.340 0.000 1.169 386 H CA -1.388 54.449 56.048 -0.351 0.000 1.157 386 H CB 1.119 30.567 29.762 -0.524 0.000 1.789 386 H HN 0.551 nan 8.280 nan 0.000 0.547 387 P HA 0.113 nan 4.420 nan 0.000 0.280 387 P C -0.416 176.849 177.300 -0.058 0.000 1.244 387 P CA -0.513 62.543 63.100 -0.073 0.000 0.784 387 P CB 1.034 32.721 31.700 -0.022 0.000 0.913 388 V N 3.633 123.510 119.914 -0.062 0.000 2.599 388 V HA 0.053 4.178 4.120 0.009 0.000 0.300 388 V C 0.661 176.787 176.094 0.053 0.000 1.034 388 V CA 0.587 62.879 62.300 -0.013 0.000 1.115 388 V CB -0.385 31.441 31.823 0.004 0.000 0.934 388 V HN 0.632 nan 8.190 nan 0.000 0.485 389 Q N 4.622 124.491 119.800 0.114 0.000 2.263 389 Q HA 0.401 4.746 4.340 0.009 0.000 0.262 389 Q C -2.733 173.388 176.000 0.201 0.000 0.984 389 Q CA -1.575 54.311 55.803 0.139 0.000 0.813 389 Q CB 2.650 31.476 28.738 0.147 0.000 1.299 389 Q HN 0.598 nan 8.270 nan 0.000 0.428 390 P HA 0.084 nan 4.420 nan 0.000 0.268 390 P C -1.585 175.837 177.300 0.202 0.000 1.205 390 P CA 0.330 63.503 63.100 0.122 0.000 0.771 390 P CB 0.085 31.823 31.700 0.064 0.000 0.858 391 Y N 0.542 120.884 120.300 0.069 0.000 2.562 391 Y HA 0.695 5.250 4.550 0.009 0.000 0.345 391 Y C -2.678 173.274 175.900 0.086 0.000 1.045 391 Y CA -3.105 55.035 58.100 0.067 0.000 1.028 391 Y CB -0.298 38.195 38.460 0.055 0.000 1.297 391 Y HN 0.243 nan 8.280 nan 0.000 0.463 392 P HA 0.360 nan 4.420 nan 0.000 0.268 392 P C -0.204 177.174 177.300 0.131 0.000 1.205 392 P CA 0.224 63.391 63.100 0.113 0.000 0.771 392 P CB 1.483 33.272 31.700 0.149 0.000 0.858 393 G N 0.331 109.188 108.800 0.094 0.000 3.414 393 G HA2 0.608 4.574 3.960 0.009 0.000 0.189 393 G HA3 0.608 4.574 3.960 0.009 0.000 0.189 393 G C -0.576 174.438 174.900 0.191 0.000 1.329 393 G CA -0.016 45.174 45.100 0.150 0.000 0.851 393 G HN 0.747 nan 8.290 nan 0.000 0.671 394 A N -0.887 122.046 122.820 0.189 0.000 2.246 394 A HA 0.662 4.988 4.320 0.009 0.000 0.291 394 A C -1.191 176.526 177.584 0.221 0.000 1.103 394 A CA -0.440 51.727 52.037 0.217 0.000 0.844 394 A CB 0.603 19.709 19.000 0.176 0.000 1.136 394 A HN 0.729 nan 8.150 nan 0.000 0.500 395 F N 0.836 120.838 119.950 0.088 0.000 2.415 395 F HA 0.566 5.098 4.527 0.009 0.000 0.348 395 F C -0.644 175.180 175.800 0.039 0.000 1.119 395 F CA -0.508 57.532 58.000 0.067 0.000 1.069 395 F CB 1.447 40.488 39.000 0.068 0.000 1.124 395 F HN 0.238 nan 8.300 nan 0.000 0.472 396 V N 6.608 126.117 119.914 -0.675 0.000 2.409 396 V HA 0.289 4.415 4.120 0.009 0.000 0.291 396 V C -0.261 175.364 176.094 -0.781 0.000 1.020 396 V CA -1.182 60.806 62.300 -0.519 0.000 0.848 396 V CB 1.437 33.143 31.823 -0.196 0.000 0.990 396 V HN 0.718 nan 8.190 nan 0.000 0.430 397 K N 2.917 122.987 120.400 -0.551 0.000 2.350 397 K HA 0.216 4.541 4.320 0.009 0.000 0.279 397 K C 0.059 176.650 176.600 -0.016 0.000 1.027 397 K CA -0.327 55.794 56.287 -0.277 0.000 0.969 397 K CB 0.748 33.210 32.500 -0.063 0.000 0.954 397 K HN 0.734 nan 8.250 nan 0.000 0.474 398 E N 6.112 126.317 120.200 0.008 0.000 2.070 398 E HA 0.159 4.515 4.350 0.009 0.000 0.282 398 E C -2.281 174.380 176.600 0.101 0.000 1.104 398 E CA -2.045 54.402 56.400 0.078 0.000 0.876 398 E CB 0.596 30.326 29.700 0.050 0.000 1.055 398 E HN 0.299 nan 8.360 nan 0.000 0.401 399 P HA 0.262 nan 4.420 nan 0.000 0.286 399 P C -0.469 176.872 177.300 0.067 0.000 1.261 399 P CA -0.449 62.665 63.100 0.024 0.000 0.821 399 P CB 0.842 32.442 31.700 -0.166 0.000 1.013 400 I N 3.886 124.504 120.570 0.080 0.000 2.505 400 I HA 0.101 4.277 4.170 0.009 0.000 0.287 400 I C -1.865 174.370 176.117 0.196 0.000 1.104 400 I CA -1.778 59.596 61.300 0.124 0.000 1.387 400 I CB -0.227 37.843 38.000 0.117 0.000 1.404 400 I HN 0.137 nan 8.210 nan 0.000 0.528 401 P HA 0.099 nan 4.420 nan 0.000 0.267 401 P C -0.460 176.955 177.300 0.192 0.000 1.209 401 P CA 0.177 63.410 63.100 0.221 0.000 0.763 401 P CB 0.490 32.284 31.700 0.157 0.000 0.816 402 N N 1.402 120.262 118.700 0.267 0.000 3.413 402 N HA 0.149 4.894 4.740 0.009 0.000 0.273 402 N C -1.353 174.232 175.510 0.125 0.000 1.458 402 N CA -0.681 52.410 53.050 0.069 0.000 0.860 402 N CB 1.396 39.771 38.487 -0.186 0.000 1.556 402 N HN 0.300 nan 8.380 nan 0.000 0.475 403 R N 0.269 120.697 120.500 -0.121 0.000 2.598 403 R HA 0.590 4.936 4.340 0.009 0.000 0.279 403 R C -1.547 174.559 176.300 -0.323 0.000 0.984 403 R CA -0.356 55.751 56.100 0.012 0.000 0.999 403 R CB 0.900 31.204 30.300 0.005 0.000 1.114 403 R HN 0.443 nan 8.270 nan 0.000 0.493 404 Y N 0.553 120.974 120.300 0.201 0.000 2.361 404 Y HA 0.265 4.821 4.550 0.009 0.000 0.328 404 Y C 0.657 176.620 175.900 0.105 0.000 1.044 404 Y CA -0.990 57.203 58.100 0.155 0.000 1.085 404 Y CB 2.275 40.857 38.460 0.203 0.000 1.194 404 Y HN 0.728 nan 8.280 nan 0.000 0.438 405 K N 2.051 122.517 120.400 0.110 0.000 2.005 405 K HA 0.059 4.384 4.320 0.009 0.000 0.206 405 K C -0.693 175.732 176.600 -0.293 0.000 1.044 405 K CA 1.198 57.393 56.287 -0.154 0.000 0.942 405 K CB 0.151 32.483 32.500 -0.281 0.000 0.727 405 K HN 0.613 nan 8.250 nan 0.000 0.439 406 Y N 0.389 120.754 120.300 0.109 0.000 2.335 406 Y HA 0.397 4.952 4.550 0.009 0.000 0.338 406 Y C -0.690 175.343 175.900 0.222 0.000 0.977 406 Y CA -1.002 57.166 58.100 0.113 0.000 1.114 406 Y CB 1.995 40.440 38.460 -0.025 0.000 1.182 406 Y HN -0.266 nan 8.280 nan 0.000 0.463 407 V N 4.829 124.994 119.914 0.419 0.000 2.789 407 V HA 0.529 4.655 4.120 0.009 0.000 0.311 407 V C -0.680 175.631 176.094 0.362 0.000 1.073 407 V CA -1.031 61.500 62.300 0.385 0.000 0.921 407 V CB 2.224 34.300 31.823 0.422 0.000 1.009 407 V HN 0.831 nan 8.190 nan 0.000 0.426 408 M N 3.833 123.614 119.600 0.300 0.000 2.393 408 M HA 0.729 5.214 4.480 0.009 0.000 0.299 408 M C -0.668 175.663 176.300 0.051 0.000 1.103 408 M CA -0.097 55.306 55.300 0.172 0.000 0.910 408 M CB 2.181 34.898 32.600 0.196 0.000 1.659 408 M HN 0.844 nan 8.290 nan 0.000 0.445 409 S N 3.002 118.577 115.700 -0.209 0.000 2.568 409 S HA 0.859 5.335 4.470 0.009 0.000 0.293 409 S C -1.216 173.024 174.600 -0.601 0.000 1.089 409 S CA -0.643 57.328 58.200 -0.382 0.000 0.945 409 S CB 1.390 64.206 63.200 -0.639 0.000 1.077 409 S HN 0.566 nan 8.310 nan 0.000 0.485 410 F N 0.561 120.418 119.950 -0.154 0.000 2.565 410 F HA 0.631 5.163 4.527 0.009 0.000 0.313 410 F C -0.090 175.679 175.800 -0.051 0.000 1.091 410 F CA -0.598 57.371 58.000 -0.052 0.000 0.915 410 F CB 2.190 41.196 39.000 0.009 0.000 1.208 410 F HN 0.655 nan 8.300 nan 0.000 0.453 411 D N 2.586 123.085 120.400 0.166 0.000 2.964 411 D HA 0.355 5.001 4.640 0.009 0.000 0.234 411 D C -1.111 175.263 176.300 0.124 0.000 1.223 411 D CA -0.340 53.726 54.000 0.111 0.000 0.889 411 D CB 2.263 43.097 40.800 0.057 0.000 1.609 411 D HN 0.435 nan 8.370 nan 0.000 0.523 412 L N 2.293 123.577 121.223 0.102 0.000 2.410 412 L HA 0.150 4.495 4.340 0.009 0.000 0.273 412 L C 0.750 177.646 176.870 0.043 0.000 1.152 412 L CA 0.186 55.061 54.840 0.058 0.000 0.855 412 L CB 0.778 42.841 42.059 0.007 0.000 1.129 412 L HN 0.311 nan 8.230 nan 0.000 0.463 413 T N 1.985 116.573 114.554 0.058 0.000 2.751 413 T HA 0.050 4.405 4.350 0.009 0.000 0.290 413 T C 0.504 175.241 174.700 0.061 0.000 0.919 413 T CA -0.383 61.777 62.100 0.100 0.000 1.136 413 T CB 0.190 69.173 68.868 0.193 0.000 0.875 413 T HN 0.729 nan 8.240 nan 0.000 0.532 414 S N 2.098 117.843 115.700 0.074 0.000 3.310 414 S HA -0.149 4.327 4.470 0.009 0.000 0.381 414 S C 1.179 175.754 174.600 -0.041 0.000 0.908 414 S CA -0.057 58.166 58.200 0.038 0.000 1.333 414 S CB -1.274 61.996 63.200 0.117 0.000 0.931 414 S HN 0.708 nan 8.310 nan 0.000 0.570 415 L N 2.244 123.454 121.223 -0.022 0.000 1.970 415 L HA -0.120 4.226 4.340 0.009 0.000 0.212 415 L C 1.975 178.890 176.870 0.075 0.000 1.071 415 L CA 2.117 56.962 54.840 0.008 0.000 0.751 415 L CB -0.652 41.455 42.059 0.080 0.000 0.889 415 L HN 0.610 nan 8.230 nan 0.000 0.432 416 Y N -0.015 120.182 120.300 -0.171 0.000 2.145 416 Y HA -0.083 4.473 4.550 0.009 0.000 0.286 416 Y C -0.086 175.676 175.900 -0.230 0.000 1.145 416 Y CA 0.958 58.920 58.100 -0.230 0.000 1.148 416 Y CB -2.507 35.769 38.460 -0.307 0.000 0.981 416 Y HN 0.304 nan 8.280 nan 0.000 0.507 417 P HA -0.111 nan 4.420 nan 0.000 0.216 417 P C 1.830 178.960 177.300 -0.283 0.000 1.150 417 P CA 2.236 65.246 63.100 -0.149 0.000 0.837 417 P CB 0.029 31.662 31.700 -0.110 0.000 0.786 418 S N -0.783 114.727 115.700 -0.317 0.000 2.383 418 S HA -0.095 4.380 4.470 0.009 0.000 0.227 418 S C 1.850 176.194 174.600 -0.426 0.000 1.026 418 S CA 0.967 58.919 58.200 -0.414 0.000 0.981 418 S CB -1.070 61.874 63.200 -0.425 0.000 0.818 418 S HN 0.116 nan 8.310 nan 0.000 0.472 419 I N 1.569 121.893 120.570 -0.410 0.000 2.163 419 I HA -0.226 3.950 4.170 0.009 0.000 0.243 419 I C 2.074 177.855 176.117 -0.560 0.000 1.085 419 I CA 1.276 62.221 61.300 -0.592 0.000 1.347 419 I CB -0.472 37.197 38.000 -0.550 0.000 1.044 419 I HN 0.254 nan 8.210 nan 0.000 0.408 420 I N 0.356 120.673 120.570 -0.420 0.000 2.163 420 I HA -0.323 3.852 4.170 0.009 0.000 0.243 420 I C 2.791 178.686 176.117 -0.370 0.000 1.085 420 I CA 1.610 62.682 61.300 -0.381 0.000 1.347 420 I CB -0.402 37.427 38.000 -0.286 0.000 1.044 420 I HN 0.214 nan 8.210 nan 0.000 0.408 421 R N 0.118 120.411 120.500 -0.344 0.000 2.057 421 R HA -0.189 4.157 4.340 0.009 0.000 0.229 421 R C 2.326 178.442 176.300 -0.307 0.000 1.136 421 R CA 1.367 57.288 56.100 -0.299 0.000 0.952 421 R CB -0.451 29.670 30.300 -0.299 0.000 0.848 421 R HN 0.393 nan 8.270 nan 0.000 0.430 422 Q N 0.680 120.256 119.800 -0.373 0.000 2.061 422 Q HA -0.153 4.192 4.340 0.009 0.000 0.204 422 Q C 1.771 177.576 176.000 -0.324 0.000 0.984 422 Q CA 1.820 57.414 55.803 -0.348 0.000 0.846 422 Q CB 0.167 28.654 28.738 -0.418 0.000 0.902 422 Q HN 0.183 nan 8.270 nan 0.000 0.421 423 V N 0.787 120.435 119.914 -0.443 0.000 3.406 423 V HA -0.043 4.083 4.120 0.009 0.000 0.263 423 V C 0.439 176.308 176.094 -0.374 0.000 1.172 423 V CA 0.840 62.900 62.300 -0.401 0.000 1.140 423 V CB -0.744 30.747 31.823 -0.552 0.000 0.784 423 V HN 0.667 nan 8.190 nan 0.000 0.467 424 N N 0.119 118.593 118.700 -0.377 0.000 2.780 424 N HA -0.204 4.541 4.740 0.009 0.000 0.247 424 N C -0.488 174.707 175.510 -0.525 0.000 1.076 424 N CA 0.239 53.098 53.050 -0.319 0.000 0.688 424 N CB -1.477 36.925 38.487 -0.142 0.000 0.957 424 N HN 0.543 nan 8.380 nan 0.000 0.551 425 I N 0.524 120.687 120.570 -0.678 0.000 2.363 425 I HA 0.247 4.423 4.170 0.009 0.000 0.292 425 I C 0.624 176.499 176.117 -0.403 0.000 1.075 425 I CA 0.131 60.920 61.300 -0.850 0.000 1.333 425 I CB 1.026 38.590 38.000 -0.726 0.000 1.415 425 I HN 0.271 nan 8.210 nan 0.000 0.502 426 S N 7.353 122.907 115.700 -0.244 0.000 2.537 426 S HA 0.447 4.922 4.470 0.009 0.000 0.270 426 S C -1.992 172.606 174.600 -0.003 0.000 1.142 426 S CA -1.207 56.922 58.200 -0.119 0.000 0.870 426 S CB 1.791 64.922 63.200 -0.115 0.000 1.112 426 S HN 0.277 nan 8.310 nan 0.000 0.466 427 P HA -0.175 nan 4.420 nan 0.000 0.217 427 P C 0.925 178.286 177.300 0.102 0.000 1.151 427 P CA 1.457 64.606 63.100 0.082 0.000 0.849 427 P CB 0.020 31.776 31.700 0.094 0.000 0.787 428 E N -0.321 119.867 120.200 -0.020 0.000 2.474 428 E HA -0.010 4.345 4.350 0.009 0.000 0.195 428 E C 0.823 177.504 176.600 0.135 0.000 1.039 428 E CA 0.791 57.171 56.400 -0.034 0.000 0.881 428 E CB -0.938 28.646 29.700 -0.193 0.000 0.970 428 E HN 0.267 nan 8.360 nan 0.000 0.486 429 T N -0.792 113.855 114.554 0.155 0.000 3.186 429 T HA 0.369 4.724 4.350 0.009 0.000 0.257 429 T C 0.766 175.508 174.700 0.070 0.000 1.029 429 T CA -0.500 61.751 62.100 0.251 0.000 0.916 429 T CB -0.705 68.290 68.868 0.212 0.000 1.041 429 T HN 0.013 nan 8.240 nan 0.000 0.562 430 I N 2.083 122.654 120.570 0.002 0.000 2.505 430 I HA 0.322 4.497 4.170 0.009 0.000 0.287 430 I C 1.553 177.317 176.117 -0.589 0.000 1.104 430 I CA -0.492 60.631 61.300 -0.295 0.000 1.387 430 I CB 0.806 38.715 38.000 -0.151 0.000 1.404 430 I HN 0.299 nan 8.210 nan 0.000 0.528 431 A N 5.327 127.572 122.820 -0.958 0.000 1.862 431 A HA 0.538 4.864 4.320 0.009 0.000 0.211 431 A C 1.159 178.352 177.584 -0.653 0.000 1.220 431 A CA 1.155 52.487 52.037 -1.174 0.000 0.616 431 A CB -0.238 17.770 19.000 -1.653 0.000 0.878 431 A HN 0.793 nan 8.150 nan 0.000 0.453 432 G N -2.294 106.186 108.800 -0.533 0.000 2.529 432 G HA2 0.489 4.454 3.960 0.009 0.000 0.238 432 G HA3 0.489 4.454 3.960 0.009 0.000 0.238 432 G C -0.555 174.196 174.900 -0.247 0.000 1.207 432 G CA 0.509 45.429 45.100 -0.301 0.000 0.928 432 G HN 1.003 nan 8.290 nan 0.000 0.495 433 T N -1.770 112.705 114.554 -0.131 0.000 2.865 433 T HA 0.813 5.168 4.350 0.009 0.000 0.294 433 T C -0.810 173.920 174.700 0.050 0.000 1.119 433 T CA -0.546 61.482 62.100 -0.120 0.000 1.007 433 T CB 2.024 70.786 68.868 -0.177 0.000 1.225 433 T HN 1.524 nan 8.240 nan 0.000 0.515 434 F N -1.380 118.526 119.950 -0.073 0.000 2.664 434 F HA 0.796 5.328 4.527 0.009 0.000 0.329 434 F C -0.576 175.216 175.800 -0.014 0.000 1.090 434 F CA -1.568 56.414 58.000 -0.031 0.000 0.978 434 F CB 1.268 40.258 39.000 -0.016 0.000 1.378 434 F HN 0.497 nan 8.300 nan 0.000 0.495 435 K N 1.684 122.188 120.400 0.173 0.000 2.258 435 K HA 0.460 4.786 4.320 0.009 0.000 0.284 435 K C -0.957 175.731 176.600 0.147 0.000 1.051 435 K CA -0.692 55.636 56.287 0.069 0.000 0.923 435 K CB 1.990 34.541 32.500 0.085 0.000 1.046 435 K HN 0.617 nan 8.250 nan 0.000 0.474 436 V N 2.976 122.894 119.914 0.008 0.000 2.546 436 V HA 0.406 4.532 4.120 0.009 0.000 0.284 436 V C -0.227 175.963 176.094 0.159 0.000 1.050 436 V CA -0.310 62.050 62.300 0.101 0.000 0.981 436 V CB 1.258 33.043 31.823 -0.063 0.000 0.990 436 V HN 0.915 nan 8.190 nan 0.000 0.474 437 A N 7.700 130.676 122.820 0.260 0.000 2.279 437 A HA 0.817 5.143 4.320 0.009 0.000 0.303 437 A C -2.502 175.089 177.584 0.012 0.000 1.108 437 A CA -1.775 50.268 52.037 0.009 0.000 0.830 437 A CB 0.292 19.107 19.000 -0.309 0.000 1.106 437 A HN 0.767 nan 8.150 nan 0.000 0.493 438 P HA -0.024 nan 4.420 nan 0.000 0.263 438 P C 0.844 177.924 177.300 -0.367 0.000 1.175 438 P CA -0.059 62.858 63.100 -0.305 0.000 0.761 438 P CB 0.342 31.787 31.700 -0.425 0.000 0.794 439 L N 4.597 125.652 121.223 -0.279 0.000 2.127 439 L HA -0.223 4.122 4.340 0.009 0.000 0.211 439 L C 1.979 178.851 176.870 0.004 0.000 1.089 439 L CA 1.949 56.804 54.840 0.024 0.000 0.757 439 L CB -1.138 40.956 42.059 0.057 0.000 0.899 439 L HN 0.496 nan 8.230 nan 0.000 0.434 440 H N -2.188 116.930 119.070 0.079 0.000 2.387 440 H HA -0.114 4.448 4.556 0.009 0.000 0.299 440 H C 1.717 177.062 175.328 0.029 0.000 1.090 440 H CA 1.065 57.134 56.048 0.036 0.000 1.332 440 H CB -0.523 29.244 29.762 0.008 0.000 1.386 440 H HN 0.357 nan 8.280 nan 0.000 0.516 441 D N 0.937 121.309 120.400 -0.047 0.000 2.104 441 D HA -0.174 4.472 4.640 0.009 0.000 0.194 441 D C 1.767 178.055 176.300 -0.021 0.000 0.994 441 D CA 1.331 55.270 54.000 -0.100 0.000 0.830 441 D CB -0.445 40.187 40.800 -0.280 0.000 0.959 441 D HN 0.443 nan 8.370 nan 0.000 0.452 442 Y N 1.071 121.463 120.300 0.152 0.000 2.181 442 Y HA -0.070 4.485 4.550 0.009 0.000 0.288 442 Y C 2.542 178.684 175.900 0.403 0.000 1.146 442 Y CA 0.371 58.649 58.100 0.297 0.000 1.164 442 Y CB -0.601 37.937 38.460 0.130 0.000 0.982 442 Y HN -0.039 nan 8.280 nan 0.000 0.515 443 I N -0.021 120.780 120.570 0.385 0.000 2.226 443 I HA -0.314 3.861 4.170 0.009 0.000 0.245 443 I C 1.435 177.612 176.117 0.101 0.000 1.100 443 I CA 1.452 62.930 61.300 0.298 0.000 1.374 443 I CB -0.349 37.732 38.000 0.134 0.000 1.057 443 I HN 0.212 nan 8.210 nan 0.000 0.413 444 N N 0.732 119.462 118.700 0.051 0.000 2.383 444 N HA 0.159 4.905 4.740 0.009 0.000 0.192 444 N C 0.946 176.390 175.510 -0.110 0.000 1.141 444 N CA 0.822 53.825 53.050 -0.080 0.000 0.851 444 N CB 0.536 38.997 38.487 -0.043 0.000 0.976 444 N HN 0.318 nan 8.380 nan 0.000 0.465 445 A N -0.782 122.039 122.820 0.001 0.000 2.847 445 A HA -0.205 4.120 4.320 0.009 0.000 0.263 445 A C 1.516 179.046 177.584 -0.089 0.000 1.391 445 A CA 1.083 53.071 52.037 -0.081 0.000 0.866 445 A CB -2.066 16.772 19.000 -0.269 0.000 1.057 445 A HN 0.131 nan 8.150 nan 0.000 0.673 446 V N -0.581 119.322 119.914 -0.018 0.000 2.446 446 V HA 0.211 4.336 4.120 0.009 0.000 0.244 446 V C 1.977 178.060 176.094 -0.018 0.000 1.039 446 V CA 1.462 63.741 62.300 -0.035 0.000 1.045 446 V CB -0.721 31.079 31.823 -0.039 0.000 0.681 446 V HN 1.419 nan 8.190 nan 0.000 0.459 447 A N 0.372 123.170 122.820 -0.038 0.000 2.492 447 A HA 0.064 4.390 4.320 0.009 0.000 0.236 447 A C 0.478 178.121 177.584 0.098 0.000 1.078 447 A CA 0.057 52.035 52.037 -0.099 0.000 0.773 447 A CB -0.063 18.606 19.000 -0.552 0.000 1.023 447 A HN 0.497 nan 8.150 nan 0.000 0.504 448 E N 0.122 120.363 120.200 0.068 0.000 2.373 448 E HA 0.149 4.504 4.350 0.009 0.000 0.267 448 E C 0.294 177.004 176.600 0.184 0.000 1.032 448 E CA -0.439 56.033 56.400 0.120 0.000 0.889 448 E CB 0.425 30.163 29.700 0.063 0.000 0.984 448 E HN 0.541 nan 8.360 nan 0.000 0.425 449 R N 5.184 125.812 120.500 0.213 0.000 2.480 449 R HA -0.010 4.335 4.340 0.009 0.000 0.303 449 R C -1.457 174.790 176.300 -0.088 0.000 0.985 449 R CA -0.830 55.346 56.100 0.127 0.000 1.051 449 R CB 0.479 30.871 30.300 0.153 0.000 0.935 449 R HN 0.446 nan 8.270 nan 0.000 0.410 450 P HA -0.131 nan 4.420 nan 0.000 0.214 450 P C -0.002 177.017 177.300 -0.469 0.000 1.163 450 P CA 1.058 63.754 63.100 -0.673 0.000 0.889 450 P CB 0.215 31.069 31.700 -1.410 0.000 0.790 451 S N -0.906 114.591 115.700 -0.338 0.000 2.556 451 S HA 0.331 4.807 4.470 0.009 0.000 0.271 451 S C -0.696 173.829 174.600 -0.125 0.000 1.135 451 S CA -0.548 57.547 58.200 -0.176 0.000 0.858 451 S CB 1.270 64.401 63.200 -0.115 0.000 1.114 451 S HN 0.097 nan 8.310 nan 0.000 0.468 452 D N 2.756 123.094 120.400 -0.104 0.000 2.462 452 D HA 0.169 4.815 4.640 0.009 0.000 0.221 452 D C 0.764 176.987 176.300 -0.128 0.000 1.173 452 D CA 0.003 53.950 54.000 -0.088 0.000 0.831 452 D CB 0.657 41.422 40.800 -0.058 0.000 1.001 452 D HN 0.255 nan 8.370 nan 0.000 0.499 453 V N -0.808 118.984 119.914 -0.204 0.000 3.229 453 V HA 0.259 4.384 4.120 0.009 0.000 0.239 453 V C -0.668 175.183 176.094 -0.405 0.000 1.390 453 V CA 0.265 62.350 62.300 -0.359 0.000 1.231 453 V CB 0.321 31.822 31.823 -0.537 0.000 1.025 453 V HN -0.026 nan 8.190 nan 0.000 0.461 454 Y N 0.311 120.599 120.300 -0.020 0.000 2.568 454 Y HA 0.642 5.197 4.550 0.009 0.000 0.327 454 Y C 0.607 176.491 175.900 -0.028 0.000 1.163 454 Y CA -0.930 57.160 58.100 -0.016 0.000 1.219 454 Y CB 1.306 39.733 38.460 -0.055 0.000 1.308 454 Y HN -0.044 nan 8.280 nan 0.000 0.503 455 S N 0.755 116.574 115.700 0.199 0.000 2.474 455 S HA 0.455 4.931 4.470 0.009 0.000 0.276 455 S C -1.003 173.685 174.600 0.148 0.000 1.227 455 S CA -0.430 57.843 58.200 0.121 0.000 1.050 455 S CB -0.670 62.594 63.200 0.107 0.000 0.939 455 S HN 0.632 nan 8.310 nan 0.000 0.490 456 C N 3.846 123.190 119.300 0.074 0.000 2.417 456 C HA 0.758 5.223 4.460 0.009 0.000 0.324 456 C C 0.447 175.526 174.990 0.147 0.000 1.240 456 C CA -0.884 58.189 59.018 0.093 0.000 1.632 456 C CB 1.053 28.708 27.740 -0.141 0.000 2.241 456 C HN 0.836 nan 8.230 nan 0.000 0.499 457 S N 2.891 118.737 115.700 0.242 0.000 2.509 457 S HA 0.527 5.002 4.470 0.009 0.000 0.297 457 S C -1.786 172.900 174.600 0.144 0.000 1.118 457 S CA -1.179 57.163 58.200 0.236 0.000 1.074 457 S CB 1.409 64.728 63.200 0.199 0.000 1.038 457 S HN 0.652 nan 8.310 nan 0.000 0.498 458 P HA 0.000 nan 4.420 nan 0.000 0.251 458 P C 0.382 177.570 177.300 -0.185 0.000 1.251 458 P CA 0.423 63.339 63.100 -0.306 0.000 0.763 458 P CB -0.420 31.010 31.700 -0.451 0.000 1.067 459 N N -0.353 118.276 118.700 -0.118 0.000 2.299 459 N HA 0.034 4.780 4.740 0.009 0.000 0.187 459 N C 1.159 176.475 175.510 -0.324 0.000 1.099 459 N CA 0.797 53.757 53.050 -0.150 0.000 0.867 459 N CB -0.404 38.037 38.487 -0.077 0.000 0.974 459 N HN 0.139 nan 8.380 nan 0.000 0.477 460 G N 0.272 108.718 108.800 -0.590 0.000 2.135 460 G HA2 -0.141 3.825 3.960 0.009 0.000 0.183 460 G HA3 -0.141 3.825 3.960 0.009 0.000 0.183 460 G C -0.386 174.085 174.900 -0.715 0.000 1.004 460 G CA -0.176 44.184 45.100 -1.233 0.000 0.677 460 G HN 0.180 nan 8.290 nan 0.000 0.512 461 M N 0.274 119.694 119.600 -0.299 0.000 2.472 461 M HA 0.703 5.189 4.480 0.009 0.000 0.331 461 M C 0.356 176.550 176.300 -0.177 0.000 1.170 461 M CA -0.264 54.881 55.300 -0.259 0.000 1.009 461 M CB 1.585 34.042 32.600 -0.238 0.000 1.672 461 M HN 0.176 nan 8.290 nan 0.000 0.453 462 M N 2.070 121.392 119.600 -0.462 0.000 2.465 462 M HA 0.537 5.022 4.480 0.009 0.000 0.316 462 M C -1.686 174.109 176.300 -0.843 0.000 1.121 462 M CA -0.560 54.509 55.300 -0.385 0.000 0.934 462 M CB 2.351 34.848 32.600 -0.172 0.000 1.692 462 M HN 0.489 nan 8.290 nan 0.000 0.444 463 Y N -0.176 120.001 120.300 -0.207 0.000 2.545 463 Y HA 0.505 5.060 4.550 0.009 0.000 0.348 463 Y C -0.781 175.007 175.900 -0.187 0.000 1.002 463 Y CA -0.955 56.969 58.100 -0.293 0.000 1.039 463 Y CB 1.350 39.709 38.460 -0.168 0.000 1.271 463 Y HN 0.413 nan 8.280 nan 0.000 0.467 464 Y N 1.195 121.570 120.300 0.124 0.000 2.497 464 Y HA 0.132 4.688 4.550 0.009 0.000 0.334 464 Y C 1.134 177.115 175.900 0.135 0.000 1.199 464 Y CA -0.361 57.832 58.100 0.156 0.000 1.425 464 Y CB 0.629 39.138 38.460 0.083 0.000 1.291 464 Y HN 0.539 nan 8.280 nan 0.000 0.562 465 K N 0.821 121.403 120.400 0.303 0.000 2.354 465 K HA -0.028 4.298 4.320 0.009 0.000 0.194 465 K C 0.898 177.562 176.600 0.108 0.000 1.045 465 K CA 0.637 57.015 56.287 0.153 0.000 1.026 465 K CB 0.303 32.867 32.500 0.106 0.000 0.866 465 K HN 0.748 nan 8.250 nan 0.000 0.530 466 D N 1.918 122.393 120.400 0.124 0.000 2.234 466 D HA -0.118 4.527 4.640 0.009 0.000 0.205 466 D C 0.912 177.222 176.300 0.017 0.000 0.962 466 D CA 0.640 54.668 54.000 0.048 0.000 0.855 466 D CB 0.146 40.957 40.800 0.018 0.000 0.951 466 D HN 0.207 nan 8.370 nan 0.000 0.500 467 R N -0.212 120.306 120.500 0.030 0.000 2.960 467 R HA 0.550 4.896 4.340 0.009 0.000 0.249 467 R C -1.374 174.934 176.300 0.014 0.000 1.192 467 R CA -0.768 55.334 56.100 0.002 0.000 1.035 467 R CB 0.991 31.274 30.300 -0.029 0.000 1.234 467 R HN -0.331 nan 8.270 nan 0.000 0.493 468 D N -0.294 120.103 120.400 -0.005 0.000 2.375 468 D HA 0.377 5.023 4.640 0.009 0.000 0.247 468 D C -0.555 175.732 176.300 -0.022 0.000 1.061 468 D CA -0.124 53.867 54.000 -0.014 0.000 0.834 468 D CB 1.899 42.689 40.800 -0.017 0.000 1.247 468 D HN 0.713 nan 8.370 nan 0.000 0.489 469 G N 0.457 109.236 108.800 -0.036 0.000 2.448 469 G HA2 0.348 4.313 3.960 0.009 0.000 0.285 469 G HA3 0.348 4.313 3.960 0.009 0.000 0.285 469 G C 1.271 176.129 174.900 -0.070 0.000 1.176 469 G CA -0.604 44.463 45.100 -0.055 0.000 0.852 469 G HN 0.317 nan 8.290 nan 0.000 0.530 470 V N 1.815 121.677 119.914 -0.087 0.000 2.343 470 V HA -0.171 3.954 4.120 0.009 0.000 0.247 470 V C 2.841 178.890 176.094 -0.075 0.000 1.051 470 V CA 1.488 63.742 62.300 -0.077 0.000 1.036 470 V CB -0.972 30.783 31.823 -0.114 0.000 0.654 470 V HN 0.481 nan 8.190 nan 0.000 0.451 471 V N 0.509 120.343 119.914 -0.132 0.000 2.237 471 V HA -0.127 3.999 4.120 0.009 0.000 0.245 471 V C 0.316 176.330 176.094 -0.134 0.000 1.046 471 V CA 2.571 64.777 62.300 -0.157 0.000 1.007 471 V CB -1.916 29.787 31.823 -0.200 0.000 0.638 471 V HN 0.497 nan 8.190 nan 0.000 0.445 472 P HA -0.128 nan 4.420 nan 0.000 0.216 472 P C 1.761 179.023 177.300 -0.064 0.000 1.150 472 P CA 1.781 64.803 63.100 -0.130 0.000 0.843 472 P CB -0.190 31.424 31.700 -0.143 0.000 0.787 473 T N -0.591 113.944 114.554 -0.031 0.000 2.770 473 T HA -0.090 4.266 4.350 0.009 0.000 0.263 473 T C 1.589 176.336 174.700 0.079 0.000 1.039 473 T CA 1.129 63.239 62.100 0.017 0.000 1.142 473 T CB -0.591 68.285 68.868 0.013 0.000 0.868 473 T HN 0.114 nan 8.240 nan 0.000 0.435 474 E N 0.770 121.036 120.200 0.110 0.000 2.152 474 E HA 0.089 4.444 4.350 0.009 0.000 0.192 474 E C 2.086 178.885 176.600 0.331 0.000 0.983 474 E CA 0.382 56.933 56.400 0.251 0.000 0.818 474 E CB -0.361 29.546 29.700 0.345 0.000 0.758 474 E HN 0.452 nan 8.360 nan 0.000 0.467 475 I N 0.909 121.577 120.570 0.163 0.000 2.439 475 I HA -0.207 3.969 4.170 0.009 0.000 0.251 475 I C 1.604 177.828 176.117 0.179 0.000 1.139 475 I CA 1.024 62.409 61.300 0.141 0.000 1.438 475 I CB 0.099 38.051 38.000 -0.080 0.000 1.085 475 I HN 0.043 nan 8.210 nan 0.000 0.427 476 T N 0.487 115.117 114.554 0.127 0.000 2.867 476 T HA -0.138 4.218 4.350 0.009 0.000 0.268 476 T C 1.840 176.680 174.700 0.233 0.000 1.057 476 T CA 0.947 63.145 62.100 0.163 0.000 1.136 476 T CB -0.068 68.849 68.868 0.082 0.000 0.874 476 T HN 0.328 nan 8.240 nan 0.000 0.466 477 K N 0.751 121.277 120.400 0.209 0.000 1.985 477 K HA -0.038 4.287 4.320 0.009 0.000 0.210 477 K C 2.357 179.042 176.600 0.140 0.000 1.047 477 K CA 1.141 57.542 56.287 0.190 0.000 0.932 477 K CB -0.522 32.131 32.500 0.255 0.000 0.716 477 K HN 0.157 nan 8.250 nan 0.000 0.439 478 V N 1.374 121.392 119.914 0.174 0.000 2.490 478 V HA -0.227 3.899 4.120 0.009 0.000 0.250 478 V C 2.019 178.168 176.094 0.092 0.000 1.061 478 V CA 1.566 63.907 62.300 0.070 0.000 1.064 478 V CB -0.616 31.290 31.823 0.139 0.000 0.670 478 V HN 0.245 nan 8.190 nan 0.000 0.461 479 F N 2.050 122.026 119.950 0.042 0.000 2.134 479 F HA -0.173 4.359 4.527 0.009 0.000 0.299 479 F C 2.269 178.050 175.800 -0.030 0.000 1.097 479 F CA 1.901 59.907 58.000 0.010 0.000 1.264 479 F CB -0.384 38.623 39.000 0.012 0.000 1.001 479 F HN 0.152 nan 8.300 nan 0.000 0.479 480 N N 0.567 119.172 118.700 -0.159 0.000 2.166 480 N HA -0.173 4.573 4.740 0.009 0.000 0.186 480 N C 1.853 177.164 175.510 -0.331 0.000 1.019 480 N CA 1.426 54.303 53.050 -0.288 0.000 0.856 480 N CB -0.508 37.949 38.487 -0.050 0.000 0.993 480 N HN 0.549 nan 8.380 nan 0.000 0.426 481 Q N 0.295 119.946 119.800 -0.248 0.000 2.084 481 Q HA -0.084 4.261 4.340 0.009 0.000 0.202 481 Q C 2.155 177.925 176.000 -0.383 0.000 0.978 481 Q CA 0.963 56.578 55.803 -0.313 0.000 0.844 481 Q CB -0.031 28.572 28.738 -0.224 0.000 0.898 481 Q HN 0.240 nan 8.270 nan 0.000 0.426 482 R N 1.400 121.725 120.500 -0.291 0.000 2.081 482 R HA -0.141 4.205 4.340 0.009 0.000 0.235 482 R C 2.023 178.120 176.300 -0.337 0.000 1.131 482 R CA 1.400 57.359 56.100 -0.236 0.000 0.960 482 R CB -0.136 30.076 30.300 -0.147 0.000 0.856 482 R HN 0.110 nan 8.270 nan 0.000 0.436 483 K N 0.586 120.667 120.400 -0.531 0.000 2.097 483 K HA -0.154 4.172 4.320 0.009 0.000 0.206 483 K C 1.850 178.195 176.600 -0.426 0.000 1.049 483 K CA 1.428 57.410 56.287 -0.508 0.000 0.933 483 K CB 0.003 32.099 32.500 -0.675 0.000 0.717 483 K HN 0.240 nan 8.250 nan 0.000 0.442 484 E N -0.358 119.550 120.200 -0.487 0.000 2.031 484 E HA -0.189 4.167 4.350 0.009 0.000 0.193 484 E C 1.974 178.115 176.600 -0.766 0.000 0.994 484 E CA 1.154 57.184 56.400 -0.618 0.000 0.800 484 E CB -0.023 29.302 29.700 -0.625 0.000 0.752 484 E HN 0.449 nan 8.360 nan 0.000 0.447 485 H N 0.132 118.942 119.070 -0.435 0.000 2.495 485 H HA 0.002 4.563 4.556 0.009 0.000 0.287 485 H C 1.874 177.054 175.328 -0.245 0.000 1.033 485 H CA 0.752 56.625 56.048 -0.292 0.000 1.307 485 H CB 0.052 29.752 29.762 -0.104 0.000 1.401 485 H HN 0.081 nan 8.280 nan 0.000 0.555 486 K N 0.575 120.879 120.400 -0.160 0.000 2.155 486 K HA -0.063 4.262 4.320 0.009 0.000 0.203 486 K C 2.261 178.759 176.600 -0.169 0.000 1.052 486 K CA 0.880 57.086 56.287 -0.135 0.000 0.948 486 K CB -0.036 32.381 32.500 -0.138 0.000 0.728 486 K HN 0.268 nan 8.250 nan 0.000 0.448 487 G N 0.089 108.713 108.800 -0.293 0.000 2.422 487 G HA2 -0.229 3.736 3.960 0.009 0.000 0.218 487 G HA3 -0.229 3.736 3.960 0.009 0.000 0.218 487 G C 1.062 175.840 174.900 -0.203 0.000 1.146 487 G CA 0.666 45.595 45.100 -0.286 0.000 0.769 487 G HN 0.236 nan 8.290 nan 0.000 0.547 488 Y N -0.056 120.141 120.300 -0.171 0.000 2.163 488 Y HA 0.072 4.628 4.550 0.009 0.000 0.288 488 Y C 2.820 178.633 175.900 -0.146 0.000 1.136 488 Y CA 0.596 58.571 58.100 -0.209 0.000 1.147 488 Y CB -0.919 37.434 38.460 -0.179 0.000 0.987 488 Y HN 0.122 nan 8.280 nan 0.000 0.509 489 M N -0.344 119.282 119.600 0.044 0.000 2.065 489 M HA -0.235 4.251 4.480 0.009 0.000 0.259 489 M C 1.978 178.260 176.300 -0.029 0.000 1.069 489 M CA 1.909 57.205 55.300 -0.005 0.000 1.110 489 M CB -0.542 32.048 32.600 -0.018 0.000 1.328 489 M HN 0.340 nan 8.290 nan 0.000 0.405 490 L N 0.006 121.200 121.223 -0.047 0.000 2.131 490 L HA -0.173 4.172 4.340 0.009 0.000 0.210 490 L C 2.717 179.549 176.870 -0.063 0.000 1.092 490 L CA 1.064 55.870 54.840 -0.056 0.000 0.759 490 L CB -0.855 41.163 42.059 -0.068 0.000 0.903 490 L HN 0.418 nan 8.230 nan 0.000 0.435 491 A N 0.049 122.830 122.820 -0.065 0.000 1.855 491 A HA -0.151 4.174 4.320 0.009 0.000 0.215 491 A C 2.501 180.022 177.584 -0.104 0.000 1.191 491 A CA 1.629 53.615 52.037 -0.085 0.000 0.613 491 A CB -0.764 18.182 19.000 -0.089 0.000 0.829 491 A HN 0.375 nan 8.150 nan 0.000 0.442 492 A N -1.049 121.728 122.820 -0.072 0.000 2.019 492 A HA -0.179 4.146 4.320 0.009 0.000 0.219 492 A C 2.136 179.691 177.584 -0.047 0.000 1.164 492 A CA 1.753 53.757 52.037 -0.055 0.000 0.644 492 A CB -0.487 18.492 19.000 -0.035 0.000 0.805 492 A HN 0.693 nan 8.150 nan 0.000 0.449 493 Q N -0.552 119.223 119.800 -0.041 0.000 2.049 493 Q HA -0.125 4.220 4.340 0.009 0.000 0.198 493 Q C 2.334 178.323 176.000 -0.017 0.000 0.971 493 Q CA 1.262 57.056 55.803 -0.015 0.000 0.833 493 Q CB -0.086 28.646 28.738 -0.010 0.000 0.896 493 Q HN 0.652 nan 8.270 nan 0.000 0.434 494 R N 0.086 120.554 120.500 -0.053 0.000 2.081 494 R HA -0.107 4.239 4.340 0.009 0.000 0.235 494 R C 2.069 178.342 176.300 -0.045 0.000 1.131 494 R CA 1.388 57.453 56.100 -0.059 0.000 0.960 494 R CB -0.185 30.069 30.300 -0.077 0.000 0.856 494 R HN 0.318 nan 8.270 nan 0.000 0.436 495 N N 0.111 118.743 118.700 -0.114 0.000 2.043 495 N HA -0.132 4.614 4.740 0.009 0.000 0.193 495 N C 1.826 177.397 175.510 0.101 0.000 1.037 495 N CA 1.673 54.623 53.050 -0.165 0.000 0.851 495 N CB -0.826 37.386 38.487 -0.459 0.000 1.027 495 N HN 0.321 nan 8.380 nan 0.000 0.422 496 G N 1.482 110.328 108.800 0.078 0.000 2.469 496 G HA2 -0.240 3.726 3.960 0.009 0.000 0.220 496 G HA3 -0.240 3.726 3.960 0.009 0.000 0.220 496 G C 1.375 176.347 174.900 0.121 0.000 1.136 496 G CA 0.724 45.889 45.100 0.108 0.000 0.759 496 G HN 0.264 nan 8.290 nan 0.000 0.562 497 E N 0.245 120.506 120.200 0.100 0.000 2.204 497 E HA -0.008 4.348 4.350 0.009 0.000 0.194 497 E C 2.503 179.168 176.600 0.108 0.000 0.989 497 E CA 0.285 56.750 56.400 0.108 0.000 0.824 497 E CB -0.098 29.652 29.700 0.084 0.000 0.756 497 E HN 0.550 nan 8.360 nan 0.000 0.477 498 I N 0.547 121.196 120.570 0.132 0.000 2.286 498 I HA -0.202 3.973 4.170 0.009 0.000 0.245 498 I C 2.238 178.454 176.117 0.166 0.000 1.104 498 I CA 0.761 62.155 61.300 0.158 0.000 1.397 498 I CB -0.103 38.042 38.000 0.243 0.000 1.072 498 I HN 0.016 nan 8.210 nan 0.000 0.417 499 I N 0.333 121.028 120.570 0.208 0.000 2.394 499 I HA -0.254 3.921 4.170 0.009 0.000 0.251 499 I C 2.433 178.633 176.117 0.139 0.000 1.136 499 I CA 1.230 62.635 61.300 0.174 0.000 1.425 499 I CB -0.293 37.833 38.000 0.210 0.000 1.079 499 I HN 0.141 nan 8.210 nan 0.000 0.425 500 K N 0.997 121.480 120.400 0.138 0.000 2.103 500 K HA -0.177 4.149 4.320 0.009 0.000 0.204 500 K C 1.781 178.499 176.600 0.196 0.000 1.052 500 K CA 1.450 57.822 56.287 0.143 0.000 0.945 500 K CB 0.162 32.740 32.500 0.131 0.000 0.722 500 K HN 0.367 nan 8.250 nan 0.000 0.443 501 E N -0.661 119.622 120.200 0.139 0.000 2.478 501 E HA 0.050 4.406 4.350 0.009 0.000 0.194 501 E C 1.233 177.882 176.600 0.082 0.000 1.045 501 E CA 0.606 57.032 56.400 0.043 0.000 0.868 501 E CB 0.243 29.832 29.700 -0.185 0.000 0.885 501 E HN 0.183 nan 8.360 nan 0.000 0.505 502 A N 1.019 123.906 122.820 0.111 0.000 2.169 502 A HA 0.125 4.451 4.320 0.009 0.000 0.212 502 A C 1.367 179.021 177.584 0.117 0.000 1.153 502 A CA 0.406 52.499 52.037 0.094 0.000 0.756 502 A CB -0.397 18.648 19.000 0.075 0.000 0.813 502 A HN 0.319 nan 8.150 nan 0.000 0.471 503 L N -3.233 118.083 121.223 0.155 0.000 2.912 503 L HA 0.455 4.801 4.340 0.009 0.000 0.240 503 L C 0.823 177.775 176.870 0.136 0.000 1.262 503 L CA 0.092 55.004 54.840 0.120 0.000 1.058 503 L CB -1.098 41.008 42.059 0.078 0.000 1.383 503 L HN 0.119 nan 8.230 nan 0.000 0.512 504 H N 1.748 120.838 119.070 0.032 0.000 2.551 504 H HA 0.198 4.760 4.556 0.009 0.000 0.266 504 H C -0.102 175.240 175.328 0.025 0.000 0.977 504 H CA 0.329 56.395 56.048 0.030 0.000 1.163 504 H CB 0.123 29.905 29.762 0.034 0.000 1.381 504 H HN 0.804 nan 8.280 nan 0.000 0.581 505 N N -1.526 117.248 118.700 0.124 0.000 3.987 505 N HA 0.072 4.818 4.740 0.009 0.000 0.170 505 N C -3.334 172.208 175.510 0.055 0.000 1.436 505 N CA -1.063 52.030 53.050 0.071 0.000 0.843 505 N CB 0.775 39.303 38.487 0.068 0.000 1.734 505 N HN -0.181 nan 8.380 nan 0.000 0.746 506 P HA 0.278 nan 4.420 nan 0.000 0.286 506 P C -0.752 176.562 177.300 0.023 0.000 1.261 506 P CA -0.371 62.749 63.100 0.033 0.000 0.821 506 P CB 0.804 32.522 31.700 0.030 0.000 1.013 507 N N 2.215 120.926 118.700 0.019 0.000 2.497 507 N HA 0.074 4.820 4.740 0.009 0.000 0.268 507 N C -0.067 175.449 175.510 0.011 0.000 1.171 507 N CA -0.470 52.588 53.050 0.013 0.000 0.948 507 N CB 0.548 39.041 38.487 0.010 0.000 1.069 507 N HN 0.347 nan 8.380 nan 0.000 0.460 508 L N 2.009 123.237 121.223 0.009 0.000 2.565 508 L HA 0.078 4.423 4.340 0.009 0.000 0.275 508 L C 0.674 177.547 176.870 0.005 0.000 1.137 508 L CA 1.008 55.852 54.840 0.007 0.000 0.915 508 L CB -0.683 41.380 42.059 0.006 0.000 1.232 508 L HN 0.616 nan 8.230 nan 0.000 0.473 509 S N 2.939 118.641 115.700 0.004 0.000 2.565 509 S HA 0.567 5.042 4.470 0.009 0.000 0.274 509 S C -1.208 173.394 174.600 0.003 0.000 1.144 509 S CA -0.542 57.660 58.200 0.003 0.000 0.849 509 S CB 1.742 64.944 63.200 0.003 0.000 1.103 509 S HN 0.107 nan 8.310 nan 0.000 0.455 510 V N 4.314 124.229 119.914 0.002 0.000 2.334 510 V HA 0.526 4.652 4.120 0.009 0.000 0.281 510 V C -0.472 175.623 176.094 0.002 0.000 1.016 510 V CA -0.329 61.972 62.300 0.002 0.000 0.832 510 V CB 0.719 32.543 31.823 0.001 0.000 0.999 510 V HN 0.965 nan 8.190 nan 0.000 0.439 511 D N 3.345 123.747 120.400 0.003 0.000 3.816 511 D HA 0.580 5.226 4.640 0.009 0.000 0.272 511 D C -0.461 175.843 176.300 0.006 0.000 1.509 511 D CA -0.595 53.406 54.000 0.002 0.000 1.003 511 D CB 1.070 41.870 40.800 -0.000 0.000 1.333 511 D HN 0.420 nan 8.370 nan 0.000 0.648 512 E N -0.634 119.570 120.200 0.007 0.000 2.381 512 E HA 0.310 4.666 4.350 0.009 0.000 0.286 512 E C -2.774 173.835 176.600 0.015 0.000 0.960 512 E CA -1.886 54.521 56.400 0.012 0.000 0.793 512 E CB 1.998 31.704 29.700 0.010 0.000 1.225 512 E HN 0.193 nan 8.360 nan 0.000 0.420 513 P HA 0.029 nan 4.420 nan 0.000 0.264 513 P C -0.064 177.250 177.300 0.024 0.000 1.193 513 P CA 0.128 63.254 63.100 0.044 0.000 0.763 513 P CB 0.495 32.244 31.700 0.082 0.000 0.810 514 L N 2.535 123.754 121.223 -0.007 0.000 2.506 514 L HA -0.029 4.317 4.340 0.009 0.000 0.281 514 L C 0.977 177.823 176.870 -0.040 0.000 1.228 514 L CA 0.383 55.194 54.840 -0.048 0.000 0.850 514 L CB -0.006 41.982 42.059 -0.118 0.000 1.110 514 L HN 0.410 nan 8.230 nan 0.000 0.496 515 D N 2.750 123.122 120.400 -0.046 0.000 2.441 515 D HA 0.405 5.051 4.640 0.009 0.000 0.221 515 D C -0.856 175.401 176.300 -0.072 0.000 1.156 515 D CA -0.221 53.758 54.000 -0.035 0.000 0.896 515 D CB 0.486 41.276 40.800 -0.017 0.000 1.028 515 D HN 0.207 nan 8.370 nan 0.000 0.509 516 V N 0.539 120.380 119.914 -0.123 0.000 3.159 516 V HA 0.582 4.707 4.120 0.009 0.000 0.308 516 V C -0.739 175.233 176.094 -0.204 0.000 1.190 516 V CA -1.199 61.007 62.300 -0.156 0.000 1.037 516 V CB 1.944 33.669 31.823 -0.163 0.000 1.060 516 V HN 0.221 nan 8.190 nan 0.000 0.437 517 D N -0.168 120.178 120.400 -0.089 0.000 2.329 517 D HA 0.445 5.091 4.640 0.009 0.000 0.232 517 D C 0.118 176.425 176.300 0.011 0.000 1.088 517 D CA -0.246 53.756 54.000 0.003 0.000 0.835 517 D CB 1.138 42.010 40.800 0.120 0.000 1.078 517 D HN 0.546 nan 8.370 nan 0.000 0.495 518 Y N 2.236 122.586 120.300 0.083 0.000 2.509 518 Y HA 0.033 4.588 4.550 0.009 0.000 0.293 518 Y C 2.022 177.850 175.900 -0.120 0.000 1.133 518 Y CA 0.374 58.465 58.100 -0.016 0.000 1.283 518 Y CB 0.027 38.482 38.460 -0.009 0.000 1.001 518 Y HN 0.330 nan 8.280 nan 0.000 0.555 519 R N -0.485 120.004 120.500 -0.019 0.000 2.341 519 R HA -0.046 4.300 4.340 0.009 0.000 0.213 519 R C -0.660 175.353 176.300 -0.478 0.000 1.082 519 R CA 0.684 56.597 56.100 -0.311 0.000 1.017 519 R CB -0.279 29.590 30.300 -0.719 0.000 0.860 519 R HN 0.178 nan 8.270 nan 0.000 0.473 520 F N -0.183 119.728 119.950 -0.066 0.000 2.577 520 F HA 0.220 4.752 4.527 0.008 0.000 0.318 520 F C 0.026 175.724 175.800 -0.170 0.000 1.065 520 F CA -1.617 56.350 58.000 -0.055 0.000 0.929 520 F CB 1.179 40.161 39.000 -0.030 0.000 1.237 520 F HN -0.245 nan 8.300 nan 0.000 0.468 521 D N 1.443 121.885 120.400 0.070 0.000 2.488 521 D HA 0.071 4.717 4.640 0.009 0.000 0.238 521 D C -0.476 175.830 176.300 0.010 0.000 1.138 521 D CA 0.509 54.479 54.000 -0.051 0.000 0.873 521 D CB 0.196 41.012 40.800 0.027 0.000 1.183 521 D HN 0.026 nan 8.370 nan 0.000 0.458 522 F N 1.214 121.200 119.950 0.059 0.000 2.529 522 F HA 0.086 4.619 4.527 0.010 0.000 0.365 522 F C 1.489 177.300 175.800 0.018 0.000 1.102 522 F CA -0.938 57.076 58.000 0.024 0.000 1.271 522 F CB -0.087 38.923 39.000 0.016 0.000 1.120 522 F HN 0.131 nan 8.300 nan 0.000 0.579 523 S N 1.325 117.149 115.700 0.205 0.000 2.603 523 S HA 0.109 4.584 4.470 0.009 0.000 0.268 523 S C 0.926 175.574 174.600 0.080 0.000 1.317 523 S CA -0.800 57.461 58.200 0.101 0.000 1.012 523 S CB 0.906 64.137 63.200 0.052 0.000 0.926 523 S HN 0.586 nan 8.310 nan 0.000 0.539 524 D N 0.756 121.187 120.400 0.052 0.000 2.190 524 D HA -0.159 4.487 4.640 0.009 0.000 0.200 524 D C 1.700 178.011 176.300 0.018 0.000 0.992 524 D CA 1.619 55.641 54.000 0.037 0.000 0.854 524 D CB -0.193 40.623 40.800 0.026 0.000 0.936 524 D HN 0.877 nan 8.370 nan 0.000 0.462 525 E N 0.185 120.390 120.200 0.008 0.000 2.028 525 E HA -0.142 4.213 4.350 0.009 0.000 0.191 525 E C 2.340 178.921 176.600 -0.032 0.000 0.988 525 E CA 0.567 56.960 56.400 -0.011 0.000 0.799 525 E CB -0.158 29.533 29.700 -0.015 0.000 0.755 525 E HN 0.300 nan 8.360 nan 0.000 0.447 526 I N 0.546 121.089 120.570 -0.046 0.000 2.394 526 I HA -0.190 3.986 4.170 0.009 0.000 0.251 526 I C 2.508 178.540 176.117 -0.142 0.000 1.136 526 I CA 1.704 62.928 61.300 -0.126 0.000 1.425 526 I CB -0.249 37.631 38.000 -0.200 0.000 1.079 526 I HN 0.076 nan 8.210 nan 0.000 0.425 527 K N 0.328 120.707 120.400 -0.035 0.000 2.103 527 K HA -0.261 4.065 4.320 0.009 0.000 0.207 527 K C 1.890 178.483 176.600 -0.012 0.000 1.048 527 K CA 2.082 58.377 56.287 0.013 0.000 0.930 527 K CB -0.920 31.626 32.500 0.077 0.000 0.716 527 K HN 0.520 nan 8.250 nan 0.000 0.444 528 E N -0.454 119.735 120.200 -0.017 0.000 2.230 528 E HA 0.098 4.454 4.350 0.009 0.000 0.192 528 E C 2.321 178.901 176.600 -0.032 0.000 0.987 528 E CA 1.325 57.715 56.400 -0.016 0.000 0.841 528 E CB 0.136 29.831 29.700 -0.009 0.000 0.783 528 E HN 0.583 nan 8.360 nan 0.000 0.481 529 K N 0.600 120.966 120.400 -0.057 0.000 2.486 529 K HA 0.062 4.387 4.320 0.009 0.000 0.194 529 K C 1.603 178.154 176.600 -0.081 0.000 1.033 529 K CA 0.763 57.010 56.287 -0.068 0.000 1.004 529 K CB -0.466 31.984 32.500 -0.083 0.000 0.798 529 K HN 0.062 nan 8.250 nan 0.000 0.495 530 I N 1.634 122.148 120.570 -0.093 0.000 2.188 530 I HA -0.175 4.001 4.170 0.009 0.000 0.237 530 I C 2.470 178.567 176.117 -0.032 0.000 1.073 530 I CA 1.476 62.723 61.300 -0.088 0.000 1.359 530 I CB -0.572 37.366 38.000 -0.104 0.000 1.083 530 I HN 0.454 nan 8.210 nan 0.000 0.412 531 K N 2.227 122.620 120.400 -0.013 0.000 2.519 531 K HA -0.151 4.175 4.320 0.009 0.000 0.196 531 K C 1.543 178.146 176.600 0.004 0.000 1.041 531 K CA 1.465 57.756 56.287 0.007 0.000 0.954 531 K CB -0.886 31.623 32.500 0.014 0.000 0.774 531 K HN 0.312 nan 8.250 nan 0.000 0.480 532 K N 1.264 121.659 120.400 -0.008 0.000 2.459 532 K HA 0.210 4.535 4.320 0.009 0.000 0.193 532 K C 1.218 177.814 176.600 -0.007 0.000 1.030 532 K CA 0.473 56.756 56.287 -0.007 0.000 1.026 532 K CB -0.366 32.125 32.500 -0.014 0.000 0.809 532 K HN 0.235 nan 8.250 nan 0.000 0.504 533 L N -0.032 121.186 121.223 -0.007 0.000 2.454 533 L HA 0.347 4.692 4.340 0.009 0.000 0.256 533 L C 0.929 177.804 176.870 0.009 0.000 1.136 533 L CA -0.711 54.128 54.840 -0.003 0.000 0.804 533 L CB 1.816 43.871 42.059 -0.007 0.000 1.181 533 L HN 0.238 nan 8.230 nan 0.000 0.469 534 S N -0.421 115.286 115.700 0.010 0.000 2.693 534 S HA 0.438 4.914 4.470 0.009 0.000 0.276 534 S C 0.981 175.592 174.600 0.019 0.000 1.192 534 S CA 0.045 58.253 58.200 0.013 0.000 0.994 534 S CB 1.594 64.800 63.200 0.009 0.000 1.012 534 S HN 0.654 nan 8.310 nan 0.000 0.550 535 A N 2.852 125.682 122.820 0.018 0.000 1.892 535 A HA -0.118 4.208 4.320 0.009 0.000 0.218 535 A C 1.960 179.554 177.584 0.018 0.000 1.188 535 A CA 2.078 54.127 52.037 0.019 0.000 0.631 535 A CB -0.878 18.129 19.000 0.012 0.000 0.822 535 A HN 0.839 nan 8.150 nan 0.000 0.447 536 K N -0.153 120.254 120.400 0.011 0.000 2.209 536 K HA -0.006 4.319 4.320 0.009 0.000 0.204 536 K C 2.194 178.805 176.600 0.019 0.000 1.048 536 K CA 1.401 57.693 56.287 0.008 0.000 0.940 536 K CB -0.162 32.339 32.500 0.002 0.000 0.729 536 K HN 0.411 nan 8.250 nan 0.000 0.451 537 S N -0.002 115.712 115.700 0.024 0.000 2.446 537 S HA 0.138 4.614 4.470 0.009 0.000 0.225 537 S C 1.528 176.159 174.600 0.051 0.000 1.016 537 S CA 0.426 58.646 58.200 0.034 0.000 0.943 537 S CB 0.065 63.279 63.200 0.023 0.000 0.786 537 S HN 0.152 nan 8.310 nan 0.000 0.508 538 L N 1.144 122.397 121.223 0.049 0.000 2.127 538 L HA 0.042 4.387 4.340 0.009 0.000 0.203 538 L C 1.720 178.637 176.870 0.079 0.000 1.080 538 L CA 0.896 55.776 54.840 0.067 0.000 0.768 538 L CB -0.609 41.486 42.059 0.060 0.000 0.924 538 L HN 0.275 nan 8.230 nan 0.000 0.444 539 N N -0.271 118.464 118.700 0.058 0.000 2.443 539 N HA -0.221 4.525 4.740 0.009 0.000 0.184 539 N C 1.668 177.225 175.510 0.079 0.000 1.037 539 N CA 0.649 53.732 53.050 0.055 0.000 0.896 539 N CB 0.100 38.598 38.487 0.018 0.000 0.959 539 N HN 0.237 nan 8.380 nan 0.000 0.442 540 E N 0.622 120.873 120.200 0.085 0.000 2.102 540 E HA 0.066 4.422 4.350 0.009 0.000 0.190 540 E C 1.747 178.447 176.600 0.167 0.000 0.971 540 E CA 0.917 57.387 56.400 0.116 0.000 0.821 540 E CB 0.117 29.869 29.700 0.087 0.000 0.777 540 E HN 0.266 nan 8.360 nan 0.000 0.460 541 M N -0.321 119.374 119.600 0.158 0.000 2.123 541 M HA -0.041 4.444 4.480 0.009 0.000 0.263 541 M C 2.121 178.476 176.300 0.092 0.000 1.069 541 M CA 0.749 56.172 55.300 0.206 0.000 1.133 541 M CB -0.269 32.499 32.600 0.280 0.000 1.356 541 M HN 0.194 nan 8.290 nan 0.000 0.415 542 L N 0.463 121.756 121.223 0.116 0.000 1.997 542 L HA -0.256 4.089 4.340 0.009 0.000 0.216 542 L C 2.287 179.171 176.870 0.024 0.000 1.074 542 L CA 2.068 56.956 54.840 0.079 0.000 0.763 542 L CB -0.909 41.209 42.059 0.098 0.000 0.890 542 L HN 0.222 nan 8.230 nan 0.000 0.434 543 F N 0.184 120.093 119.950 -0.069 0.000 2.126 543 F HA -0.229 4.303 4.527 0.008 0.000 0.299 543 F C 2.558 178.263 175.800 -0.158 0.000 1.096 543 F CA 1.833 59.778 58.000 -0.092 0.000 1.255 543 F CB -0.277 38.686 39.000 -0.061 0.000 0.997 543 F HN 0.037 nan 8.300 nan 0.000 0.479 544 R N -0.041 120.303 120.500 -0.259 0.000 2.075 544 R HA -0.065 4.281 4.340 0.009 0.000 0.232 544 R C 2.499 178.325 176.300 -0.790 0.000 1.126 544 R CA 1.102 56.902 56.100 -0.499 0.000 0.963 544 R CB -0.809 29.281 30.300 -0.349 0.000 0.858 544 R HN 0.378 nan 8.270 nan 0.000 0.435 545 A N 1.125 123.421 122.820 -0.874 0.000 1.940 545 A HA -0.224 4.101 4.320 0.009 0.000 0.219 545 A C 1.966 179.342 177.584 -0.346 0.000 1.176 545 A CA 1.333 52.975 52.037 -0.659 0.000 0.631 545 A CB -0.322 18.529 19.000 -0.249 0.000 0.814 545 A HN 0.350 nan 8.150 nan 0.000 0.446 546 Q N -1.285 118.325 119.800 -0.318 0.000 2.245 546 Q HA -0.017 4.328 4.340 0.009 0.000 0.201 546 Q C 2.229 178.042 176.000 -0.312 0.000 0.955 546 Q CA 0.414 56.068 55.803 -0.249 0.000 0.870 546 Q CB -0.069 28.552 28.738 -0.195 0.000 0.945 546 Q HN 0.436 nan 8.270 nan 0.000 0.461 547 R N 0.330 120.550 120.500 -0.467 0.000 2.081 547 R HA -0.098 4.248 4.340 0.009 0.000 0.235 547 R C 2.448 178.590 176.300 -0.264 0.000 1.131 547 R CA 1.978 57.823 56.100 -0.425 0.000 0.960 547 R CB -0.808 29.175 30.300 -0.528 0.000 0.856 547 R HN 0.441 nan 8.270 nan 0.000 0.436 548 T N -1.668 112.738 114.554 -0.247 0.000 2.942 548 T HA -0.048 4.307 4.350 0.009 0.000 0.265 548 T C 1.775 176.406 174.700 -0.115 0.000 1.062 548 T CA 0.815 62.824 62.100 -0.152 0.000 1.139 548 T CB 0.004 68.814 68.868 -0.097 0.000 0.883 548 T HN 0.258 nan 8.240 nan 0.000 0.468 549 E N 0.785 120.912 120.200 -0.122 0.000 2.051 549 E HA -0.110 4.245 4.350 0.009 0.000 0.192 549 E C 2.259 178.816 176.600 -0.072 0.000 0.991 549 E CA 1.097 57.449 56.400 -0.080 0.000 0.799 549 E CB -0.170 29.486 29.700 -0.073 0.000 0.748 549 E HN 0.385 nan 8.360 nan 0.000 0.449 550 V N 1.307 121.164 119.914 -0.096 0.000 2.287 550 V HA -0.307 3.819 4.120 0.009 0.000 0.248 550 V C 2.466 178.521 176.094 -0.064 0.000 1.053 550 V CA 2.042 64.298 62.300 -0.072 0.000 1.027 550 V CB -0.742 31.022 31.823 -0.098 0.000 0.646 550 V HN 0.412 nan 8.190 nan 0.000 0.447 551 A N -0.019 122.744 122.820 -0.095 0.000 1.929 551 A HA -0.004 4.322 4.320 0.009 0.000 0.216 551 A C 2.377 179.901 177.584 -0.100 0.000 1.176 551 A CA 1.686 53.663 52.037 -0.099 0.000 0.628 551 A CB -1.016 17.913 19.000 -0.118 0.000 0.816 551 A HN 0.534 nan 8.150 nan 0.000 0.444 552 G N -1.181 107.570 108.800 -0.082 0.000 2.403 552 G HA2 -0.161 3.804 3.960 0.009 0.000 0.216 552 G HA3 -0.161 3.804 3.960 0.009 0.000 0.216 552 G C 1.527 176.405 174.900 -0.037 0.000 1.154 552 G CA 1.076 46.140 45.100 -0.059 0.000 0.784 552 G HN 0.291 nan 8.290 nan 0.000 0.538 553 M N 1.115 120.699 119.600 -0.026 0.000 2.080 553 M HA -0.084 4.401 4.480 0.009 0.000 0.260 553 M C 2.611 178.923 176.300 0.019 0.000 1.068 553 M CA 1.663 56.958 55.300 -0.008 0.000 1.109 553 M CB -1.252 31.349 32.600 0.002 0.000 1.342 553 M HN 0.215 nan 8.290 nan 0.000 0.405 554 T N 0.977 115.554 114.554 0.038 0.000 2.652 554 T HA -0.137 4.219 4.350 0.009 0.000 0.267 554 T C 1.767 176.492 174.700 0.042 0.000 1.039 554 T CA 1.994 64.154 62.100 0.100 0.000 1.153 554 T CB -0.530 68.398 68.868 0.100 0.000 0.863 554 T HN 0.540 nan 8.240 nan 0.000 0.428 555 A N 1.311 124.106 122.820 -0.042 0.000 1.908 555 A HA -0.186 4.139 4.320 0.009 0.000 0.218 555 A C 2.322 179.923 177.584 0.028 0.000 1.181 555 A CA 1.895 53.888 52.037 -0.073 0.000 0.627 555 A CB -0.652 18.154 19.000 -0.324 0.000 0.818 555 A HN 0.525 nan 8.150 nan 0.000 0.445 556 Q N -0.439 119.378 119.800 0.029 0.000 2.008 556 Q HA -0.063 4.282 4.340 0.009 0.000 0.196 556 Q C 2.101 178.103 176.000 0.003 0.000 0.973 556 Q CA 1.552 57.369 55.803 0.023 0.000 0.826 556 Q CB -0.295 28.440 28.738 -0.005 0.000 0.894 556 Q HN 0.611 nan 8.270 nan 0.000 0.439 557 I N 1.646 122.205 120.570 -0.018 0.000 2.423 557 I HA -0.270 3.905 4.170 0.009 0.000 0.254 557 I C 1.496 177.651 176.117 0.062 0.000 1.151 557 I CA 1.042 62.286 61.300 -0.094 0.000 1.421 557 I CB -0.020 37.818 38.000 -0.270 0.000 1.079 557 I HN 0.249 nan 8.210 nan 0.000 0.431 558 N N 0.217 119.014 118.700 0.161 0.000 2.395 558 N HA -0.027 4.719 4.740 0.009 0.000 0.175 558 N C 1.783 177.375 175.510 0.138 0.000 1.029 558 N CA 0.551 53.739 53.050 0.230 0.000 0.897 558 N CB -0.031 38.527 38.487 0.118 0.000 0.991 558 N HN 0.377 nan 8.380 nan 0.000 0.441 559 R N 1.289 121.834 120.500 0.076 0.000 2.090 559 R HA 0.011 4.356 4.340 0.009 0.000 0.228 559 R C 2.149 178.519 176.300 0.118 0.000 1.110 559 R CA 0.837 56.976 56.100 0.065 0.000 0.973 559 R CB 0.004 30.315 30.300 0.019 0.000 0.869 559 R HN 0.151 nan 8.270 nan 0.000 0.440 560 K N 0.813 121.271 120.400 0.097 0.000 2.097 560 K HA -0.175 4.150 4.320 0.009 0.000 0.206 560 K C 1.953 178.643 176.600 0.149 0.000 1.049 560 K CA 1.109 57.458 56.287 0.103 0.000 0.933 560 K CB -0.045 32.474 32.500 0.031 0.000 0.717 560 K HN 0.036 nan 8.250 nan 0.000 0.442 561 L N 1.239 122.582 121.223 0.200 0.000 2.027 561 L HA -0.132 4.213 4.340 0.009 0.000 0.206 561 L C 2.189 179.212 176.870 0.255 0.000 1.074 561 L CA 1.273 56.269 54.840 0.260 0.000 0.745 561 L CB -0.559 41.725 42.059 0.375 0.000 0.898 561 L HN 0.231 nan 8.230 nan 0.000 0.433 562 L N -0.276 121.108 121.223 0.269 0.000 2.083 562 L HA -0.179 4.167 4.340 0.009 0.000 0.209 562 L C 2.311 179.519 176.870 0.563 0.000 1.083 562 L CA 2.096 57.162 54.840 0.375 0.000 0.752 562 L CB -0.534 41.665 42.059 0.233 0.000 0.899 562 L HN 0.489 nan 8.230 nan 0.000 0.433 563 I N -4.048 116.760 120.570 0.398 0.000 2.406 563 I HA -0.144 4.031 4.170 0.009 0.000 0.249 563 I C 1.953 178.159 176.117 0.148 0.000 1.122 563 I CA 1.497 62.971 61.300 0.290 0.000 1.431 563 I CB -0.811 37.339 38.000 0.251 0.000 1.087 563 I HN 0.243 nan 8.210 nan 0.000 0.424 564 N N 1.247 120.052 118.700 0.174 0.000 2.244 564 N HA -0.111 4.634 4.740 0.009 0.000 0.183 564 N C 1.779 177.415 175.510 0.210 0.000 1.016 564 N CA 1.237 54.395 53.050 0.180 0.000 0.866 564 N CB -0.024 38.546 38.487 0.138 0.000 0.980 564 N HN 0.321 nan 8.380 nan 0.000 0.430 565 S N 0.729 116.538 115.700 0.182 0.000 2.507 565 S HA -0.022 4.454 4.470 0.009 0.000 0.235 565 S C 1.635 176.195 174.600 -0.066 0.000 0.988 565 S CA 0.289 58.564 58.200 0.125 0.000 0.944 565 S CB -0.021 63.313 63.200 0.224 0.000 0.762 565 S HN 0.226 nan 8.310 nan 0.000 0.526 566 L N 0.901 121.988 121.223 -0.226 0.000 2.068 566 L HA 0.046 4.391 4.340 0.009 0.000 0.204 566 L C 1.965 178.640 176.870 -0.324 0.000 1.076 566 L CA 1.627 56.092 54.840 -0.626 0.000 0.753 566 L CB -1.143 40.286 42.059 -1.050 0.000 0.910 566 L HN 0.421 nan 8.230 nan 0.000 0.439 567 Y N 0.055 120.239 120.300 -0.194 0.000 2.165 567 Y HA -0.116 4.439 4.550 0.009 0.000 0.286 567 Y C 2.150 178.034 175.900 -0.026 0.000 1.155 567 Y CA 1.837 59.892 58.100 -0.076 0.000 1.164 567 Y CB -0.949 37.552 38.460 0.068 0.000 0.978 567 Y HN 0.149 nan 8.280 nan 0.000 0.513 568 G N 0.240 108.818 108.800 -0.371 0.000 2.421 568 G HA2 -0.265 3.700 3.960 0.009 0.000 0.216 568 G HA3 -0.265 3.700 3.960 0.009 0.000 0.216 568 G C 1.864 176.573 174.900 -0.319 0.000 1.171 568 G CA 1.240 46.107 45.100 -0.389 0.000 0.775 568 G HN 0.669 nan 8.290 nan 0.000 0.543 569 A N 0.725 123.316 122.820 -0.382 0.000 1.908 569 A HA 0.013 4.339 4.320 0.009 0.000 0.218 569 A C 2.425 179.830 177.584 -0.299 0.000 1.181 569 A CA 1.436 53.124 52.037 -0.582 0.000 0.627 569 A CB -0.506 17.628 19.000 -1.444 0.000 0.818 569 A HN 0.363 nan 8.150 nan 0.000 0.445 570 L N -0.863 120.225 121.223 -0.225 0.000 2.189 570 L HA -0.180 4.165 4.340 0.009 0.000 0.214 570 L C 2.296 179.102 176.870 -0.105 0.000 1.097 570 L CA 1.049 55.891 54.840 0.004 0.000 0.764 570 L CB -0.363 41.641 42.059 -0.093 0.000 0.900 570 L HN 0.515 nan 8.230 nan 0.000 0.436 571 G N -1.513 107.188 108.800 -0.165 0.000 3.337 571 G HA2 -0.033 3.932 3.960 0.009 0.000 0.246 571 G HA3 -0.033 3.932 3.960 0.009 0.000 0.246 571 G C 0.181 175.224 174.900 0.237 0.000 1.131 571 G CA -0.265 44.794 45.100 -0.068 0.000 0.773 571 G HN 0.171 nan 8.290 nan 0.000 0.544 572 N N 0.882 119.740 118.700 0.263 0.000 2.372 572 N HA 0.135 4.881 4.740 0.009 0.000 0.291 572 N C 1.564 177.142 175.510 0.113 0.000 1.024 572 N CA -0.369 52.807 53.050 0.210 0.000 0.873 572 N CB 2.463 41.049 38.487 0.165 0.000 1.206 572 N HN -0.054 nan 8.380 nan 0.000 0.486 573 V N 1.711 121.453 119.914 -0.287 0.000 2.759 573 V HA -0.036 4.089 4.120 0.009 0.000 0.256 573 V C 1.238 177.006 176.094 -0.543 0.000 1.080 573 V CA 0.938 62.737 62.300 -0.836 0.000 1.101 573 V CB -0.888 30.396 31.823 -0.900 0.000 0.698 573 V HN 0.658 nan 8.190 nan 0.000 0.477 574 W N -1.044 120.250 121.300 -0.011 0.000 3.139 574 W HA 0.388 5.053 4.660 0.009 0.000 0.260 574 W C 0.953 177.561 176.519 0.148 0.000 1.312 574 W CA -0.739 56.637 57.345 0.052 0.000 1.606 574 W CB -0.184 29.302 29.460 0.044 0.000 1.118 574 W HN 0.160 nan 8.180 nan 0.000 0.675 575 F N 2.032 122.084 119.950 0.170 0.000 2.443 575 F HA 0.191 4.723 4.527 0.009 0.000 0.353 575 F C 1.868 177.716 175.800 0.081 0.000 1.101 575 F CA -1.108 56.986 58.000 0.157 0.000 1.226 575 F CB 0.766 39.874 39.000 0.180 0.000 1.140 575 F HN -0.212 nan 8.300 nan 0.000 0.557 576 R N 3.290 123.476 120.500 -0.523 0.000 2.127 576 R HA -0.192 4.153 4.340 0.009 0.000 0.238 576 R C 0.362 176.159 176.300 -0.838 0.000 1.134 576 R CA 1.773 57.451 56.100 -0.703 0.000 0.975 576 R CB -0.225 29.499 30.300 -0.960 0.000 0.865 576 R HN 0.708 nan 8.270 nan 0.000 0.447 577 Y N -1.089 118.779 120.300 -0.720 0.000 2.708 577 Y HA 0.105 4.661 4.550 0.009 0.000 0.287 577 Y C -0.604 175.287 175.900 -0.014 0.000 1.145 577 Y CA -1.000 56.912 58.100 -0.313 0.000 1.249 577 Y CB -0.373 37.896 38.460 -0.319 0.000 1.152 577 Y HN 0.028 nan 8.280 nan 0.000 0.532 578 Y N 2.408 122.695 120.300 -0.023 0.000 2.729 578 Y HA 0.174 4.730 4.550 0.009 0.000 0.331 578 Y C -0.329 175.484 175.900 -0.145 0.000 1.208 578 Y CA 0.263 58.323 58.100 -0.066 0.000 1.521 578 Y CB 0.273 38.547 38.460 -0.310 0.000 1.233 578 Y HN 0.200 nan 8.280 nan 0.000 0.539 579 D N 6.317 126.329 120.400 -0.647 0.000 2.354 579 D HA 0.097 4.743 4.640 0.009 0.000 0.230 579 D C -0.324 175.644 176.300 -0.553 0.000 1.361 579 D CA -0.446 53.235 54.000 -0.531 0.000 0.992 579 D CB 0.891 41.583 40.800 -0.181 0.000 1.409 579 D HN 0.548 nan 8.370 nan 0.000 0.573 580 L N 3.003 123.827 121.223 -0.664 0.000 2.362 580 L HA 0.113 4.459 4.340 0.009 0.000 0.219 580 L C 2.244 178.922 176.870 -0.320 0.000 1.134 580 L CA 1.225 55.741 54.840 -0.541 0.000 0.807 580 L CB -0.327 41.462 42.059 -0.451 0.000 0.927 580 L HN 0.366 nan 8.230 nan 0.000 0.447 581 R N -0.945 119.415 120.500 -0.235 0.000 2.148 581 R HA -0.082 4.264 4.340 0.009 0.000 0.227 581 R C 1.702 177.948 176.300 -0.091 0.000 1.103 581 R CA 1.025 57.038 56.100 -0.145 0.000 0.983 581 R CB -0.182 30.044 30.300 -0.123 0.000 0.874 581 R HN 0.421 nan 8.270 nan 0.000 0.451 582 N N 0.465 119.098 118.700 -0.112 0.000 2.305 582 N HA 0.010 4.756 4.740 0.009 0.000 0.179 582 N C 1.632 177.082 175.510 -0.100 0.000 1.019 582 N CA 1.126 54.137 53.050 -0.065 0.000 0.869 582 N CB -0.239 38.214 38.487 -0.057 0.000 1.000 582 N HN 0.128 nan 8.380 nan 0.000 0.431 583 A N 0.854 123.562 122.820 -0.188 0.000 1.883 583 A HA -0.172 4.154 4.320 0.009 0.000 0.217 583 A C 2.355 179.935 177.584 -0.006 0.000 1.186 583 A CA 2.600 54.553 52.037 -0.140 0.000 0.624 583 A CB -1.228 17.438 19.000 -0.556 0.000 0.822 583 A HN 0.499 nan 8.150 nan 0.000 0.444 584 T N -2.855 111.640 114.554 -0.099 0.000 2.985 584 T HA 0.261 4.616 4.350 0.009 0.000 0.266 584 T C 1.865 176.562 174.700 -0.004 0.000 1.076 584 T CA 1.304 63.414 62.100 0.016 0.000 1.135 584 T CB -0.394 68.479 68.868 0.009 0.000 0.890 584 T HN 0.570 nan 8.240 nan 0.000 0.480 585 A N 1.485 124.287 122.820 -0.030 0.000 1.978 585 A HA 0.091 4.416 4.320 0.009 0.000 0.220 585 A C 2.273 179.824 177.584 -0.055 0.000 1.170 585 A CA 1.384 53.416 52.037 -0.008 0.000 0.636 585 A CB -0.774 18.253 19.000 0.045 0.000 0.810 585 A HN 0.619 nan 8.150 nan 0.000 0.448 586 I N -0.250 120.234 120.570 -0.143 0.000 2.206 586 I HA -0.187 3.989 4.170 0.009 0.000 0.239 586 I C 2.922 178.794 176.117 -0.409 0.000 1.078 586 I CA 1.754 62.849 61.300 -0.341 0.000 1.367 586 I CB -0.607 37.120 38.000 -0.453 0.000 1.078 586 I HN 0.508 nan 8.210 nan 0.000 0.413 587 T N -2.146 112.222 114.554 -0.311 0.000 2.777 587 T HA -0.144 4.211 4.350 0.009 0.000 0.266 587 T C 1.848 176.545 174.700 -0.003 0.000 1.040 587 T CA 1.850 63.841 62.100 -0.181 0.000 1.141 587 T CB -1.011 67.910 68.868 0.088 0.000 0.868 587 T HN 0.212 nan 8.240 nan 0.000 0.444 588 T N 1.400 115.972 114.554 0.030 0.000 2.746 588 T HA -0.004 4.351 4.350 0.009 0.000 0.267 588 T C 1.372 176.086 174.700 0.023 0.000 1.039 588 T CA 1.274 63.398 62.100 0.040 0.000 1.142 588 T CB -0.682 68.201 68.868 0.025 0.000 0.866 588 T HN 0.394 nan 8.240 nan 0.000 0.444 589 F N 1.955 121.835 119.950 -0.118 0.000 2.171 589 F HA 0.026 4.558 4.527 0.009 0.000 0.300 589 F C 2.366 178.113 175.800 -0.089 0.000 1.090 589 F CA 1.262 59.184 58.000 -0.130 0.000 1.293 589 F CB -0.685 38.206 39.000 -0.182 0.000 1.013 589 F HN 0.176 nan 8.300 nan 0.000 0.486 590 G N -0.826 108.048 108.800 0.123 0.000 2.394 590 G HA2 -0.219 3.747 3.960 0.009 0.000 0.214 590 G HA3 -0.219 3.747 3.960 0.009 0.000 0.214 590 G C 1.485 176.449 174.900 0.107 0.000 1.176 590 G CA 0.591 45.778 45.100 0.144 0.000 0.786 590 G HN 0.398 nan 8.290 nan 0.000 0.533 591 Q N -0.724 119.136 119.800 0.100 0.000 2.133 591 Q HA -0.180 4.166 4.340 0.009 0.000 0.208 591 Q C 2.446 178.430 176.000 -0.026 0.000 0.991 591 Q CA 1.742 57.597 55.803 0.088 0.000 0.867 591 Q CB -0.234 28.567 28.738 0.106 0.000 0.911 591 Q HN 0.569 nan 8.270 nan 0.000 0.417 592 M N -0.241 119.315 119.600 -0.074 0.000 2.077 592 M HA -0.164 4.322 4.480 0.009 0.000 0.261 592 M C 2.156 178.430 176.300 -0.044 0.000 1.070 592 M CA 1.755 56.998 55.300 -0.096 0.000 1.125 592 M CB -0.180 32.285 32.600 -0.224 0.000 1.339 592 M HN 0.236 nan 8.290 nan 0.000 0.409 593 A N 1.038 123.778 122.820 -0.134 0.000 1.892 593 A HA -0.212 4.113 4.320 0.009 0.000 0.218 593 A C 2.174 179.918 177.584 0.265 0.000 1.188 593 A CA 1.763 53.845 52.037 0.075 0.000 0.631 593 A CB -1.324 17.705 19.000 0.048 0.000 0.822 593 A HN 0.678 nan 8.150 nan 0.000 0.447 594 L N -0.512 120.822 121.223 0.184 0.000 1.989 594 L HA -0.257 4.089 4.340 0.009 0.000 0.211 594 L C 2.569 179.502 176.870 0.106 0.000 1.071 594 L CA 2.541 57.490 54.840 0.182 0.000 0.749 594 L CB -0.862 41.309 42.059 0.186 0.000 0.890 594 L HN 0.553 nan 8.230 nan 0.000 0.431 595 Q N -1.169 118.634 119.800 0.006 0.000 2.123 595 Q HA -0.238 4.107 4.340 0.009 0.000 0.199 595 Q C 1.928 177.938 176.000 0.016 0.000 0.966 595 Q CA 1.627 57.382 55.803 -0.080 0.000 0.845 595 Q CB -0.283 28.288 28.738 -0.280 0.000 0.907 595 Q HN 0.655 nan 8.270 nan 0.000 0.439 596 W N 1.292 122.528 121.300 -0.107 0.000 2.311 596 W HA -0.254 4.412 4.660 0.009 0.000 0.326 596 W C 1.816 178.223 176.519 -0.187 0.000 1.239 596 W CA 1.315 58.589 57.345 -0.119 0.000 1.258 596 W CB -0.531 28.870 29.460 -0.099 0.000 1.165 596 W HN 0.164 nan 8.180 nan 0.000 0.466 597 I N 1.617 122.236 120.570 0.082 0.000 2.454 597 I HA -0.255 3.920 4.170 0.009 0.000 0.254 597 I C 2.575 178.622 176.117 -0.117 0.000 1.156 597 I CA 2.127 63.331 61.300 -0.161 0.000 1.433 597 I CB -0.779 37.013 38.000 -0.347 0.000 1.082 597 I HN 0.168 nan 8.210 nan 0.000 0.432 598 E N 0.596 120.770 120.200 -0.043 0.000 2.031 598 E HA -0.326 4.030 4.350 0.009 0.000 0.193 598 E C 2.487 179.048 176.600 -0.065 0.000 0.994 598 E CA 1.425 57.811 56.400 -0.023 0.000 0.800 598 E CB -0.300 29.409 29.700 0.015 0.000 0.752 598 E HN 0.458 nan 8.360 nan 0.000 0.447 599 R N 0.530 120.958 120.500 -0.120 0.000 2.094 599 R HA -0.231 4.114 4.340 0.009 0.000 0.239 599 R C 2.663 178.848 176.300 -0.192 0.000 1.137 599 R CA 2.929 58.930 56.100 -0.165 0.000 0.943 599 R CB -0.504 29.644 30.300 -0.252 0.000 0.850 599 R HN 0.132 nan 8.270 nan 0.000 0.433 600 K N 0.152 120.384 120.400 -0.281 0.000 2.097 600 K HA -0.053 4.272 4.320 0.009 0.000 0.206 600 K C 2.084 178.600 176.600 -0.139 0.000 1.049 600 K CA 1.762 57.893 56.287 -0.259 0.000 0.933 600 K CB -0.979 31.322 32.500 -0.332 0.000 0.717 600 K HN 0.180 nan 8.250 nan 0.000 0.442 601 V N 2.183 122.028 119.914 -0.116 0.000 2.358 601 V HA -0.236 3.890 4.120 0.009 0.000 0.246 601 V C 1.929 178.015 176.094 -0.014 0.000 1.047 601 V CA 1.735 63.999 62.300 -0.060 0.000 1.035 601 V CB -0.565 31.218 31.823 -0.067 0.000 0.658 601 V HN 0.612 nan 8.190 nan 0.000 0.452 602 N N 0.024 118.731 118.700 0.011 0.000 2.430 602 N HA -0.153 4.592 4.740 0.009 0.000 0.186 602 N C 1.741 177.274 175.510 0.040 0.000 1.032 602 N CA 1.126 54.224 53.050 0.080 0.000 0.893 602 N CB -0.083 38.458 38.487 0.090 0.000 0.957 602 N HN 0.639 nan 8.380 nan 0.000 0.442 603 E N -0.843 119.350 120.200 -0.012 0.000 2.045 603 E HA -0.093 4.262 4.350 0.009 0.000 0.190 603 E C 1.420 178.016 176.600 -0.006 0.000 0.968 603 E CA 0.318 56.707 56.400 -0.018 0.000 0.813 603 E CB -0.236 29.432 29.700 -0.054 0.000 0.780 603 E HN 0.312 nan 8.360 nan 0.000 0.455 604 Y N 1.588 121.816 120.300 -0.120 0.000 2.315 604 Y HA -0.166 4.389 4.550 0.009 0.000 0.288 604 Y C 1.709 177.528 175.900 -0.136 0.000 1.154 604 Y CA 1.197 59.226 58.100 -0.120 0.000 1.229 604 Y CB 0.013 38.391 38.460 -0.138 0.000 0.980 604 Y HN -0.029 nan 8.280 nan 0.000 0.540 605 L N -0.587 120.461 121.223 -0.292 0.000 2.209 605 L HA -0.116 4.229 4.340 0.009 0.000 0.207 605 L C 2.156 178.772 176.870 -0.423 0.000 1.094 605 L CA 0.857 55.349 54.840 -0.581 0.000 0.790 605 L CB -0.529 40.891 42.059 -1.066 0.000 0.932 605 L HN 0.259 nan 8.230 nan 0.000 0.447 606 N N -0.025 118.594 118.700 -0.135 0.000 2.069 606 N HA -0.227 4.519 4.740 0.009 0.000 0.191 606 N C 1.658 177.148 175.510 -0.032 0.000 1.031 606 N CA 1.357 54.435 53.050 0.047 0.000 0.852 606 N CB 0.050 38.583 38.487 0.077 0.000 1.018 606 N HN 0.370 nan 8.380 nan 0.000 0.423 607 E N 0.607 120.750 120.200 -0.094 0.000 2.007 607 E HA -0.153 4.203 4.350 0.009 0.000 0.194 607 E C 2.121 178.635 176.600 -0.143 0.000 0.999 607 E CA 0.930 57.270 56.400 -0.101 0.000 0.811 607 E CB -0.086 29.556 29.700 -0.096 0.000 0.762 607 E HN 0.066 nan 8.360 nan 0.000 0.450 608 V N 0.628 120.369 119.914 -0.289 0.000 2.380 608 V HA -0.330 3.795 4.120 0.009 0.000 0.251 608 V C 2.402 178.421 176.094 -0.125 0.000 1.063 608 V CA 1.568 63.706 62.300 -0.269 0.000 1.055 608 V CB -0.249 31.278 31.823 -0.494 0.000 0.657 608 V HN 0.522 nan 8.190 nan 0.000 0.455 609 C N -1.013 118.221 119.300 -0.109 0.000 2.508 609 C HA 0.265 4.730 4.460 0.009 0.000 0.280 609 C C 2.345 177.344 174.990 0.014 0.000 1.262 609 C CA 1.231 60.245 59.018 -0.006 0.000 1.706 609 C CB -0.225 27.582 27.740 0.112 0.000 2.078 609 C HN 0.842 nan 8.230 nan 0.000 0.480 610 G N -1.321 107.488 108.800 0.015 0.000 3.033 610 G HA2 -0.132 3.833 3.960 0.009 0.000 0.196 610 G HA3 -0.132 3.833 3.960 0.009 0.000 0.196 610 G C 0.452 175.369 174.900 0.030 0.000 1.078 610 G CA 0.418 45.527 45.100 0.015 0.000 0.805 610 G HN 0.703 nan 8.290 nan 0.000 0.472 611 T N -0.503 114.086 114.554 0.058 0.000 2.667 611 T HA 0.559 4.914 4.350 0.009 0.000 0.305 611 T C -0.045 174.691 174.700 0.061 0.000 1.022 611 T CA 0.616 62.750 62.100 0.057 0.000 0.995 611 T CB 2.219 71.126 68.868 0.065 0.000 1.026 611 T HN 0.497 nan 8.240 nan 0.000 0.527 612 E N -1.453 118.775 120.200 0.046 0.000 2.340 612 E HA 0.485 4.841 4.350 0.009 0.000 0.273 612 E C 0.585 177.205 176.600 0.034 0.000 0.891 612 E CA -0.312 56.111 56.400 0.039 0.000 0.757 612 E CB 1.192 30.902 29.700 0.017 0.000 1.231 612 E HN 1.064 nan 8.360 nan 0.000 0.439 613 G N 2.489 111.311 108.800 0.038 0.000 2.162 613 G HA2 -0.230 3.735 3.960 0.009 0.000 0.260 613 G HA3 -0.230 3.735 3.960 0.009 0.000 0.260 613 G C -0.116 174.799 174.900 0.025 0.000 0.976 613 G CA 0.238 45.352 45.100 0.025 0.000 0.655 613 G HN 0.452 nan 8.290 nan 0.000 0.533 614 E N 0.585 120.816 120.200 0.051 0.000 2.257 614 E HA 0.493 4.849 4.350 0.009 0.000 0.278 614 E C 0.656 177.264 176.600 0.014 0.000 1.049 614 E CA 0.460 56.843 56.400 -0.029 0.000 0.876 614 E CB 1.169 30.795 29.700 -0.124 0.000 1.035 614 E HN 0.692 nan 8.360 nan 0.000 0.419 615 A N 4.554 127.341 122.820 -0.055 0.000 2.457 615 A HA 0.187 4.512 4.320 0.009 0.000 0.298 615 A C 0.349 177.899 177.584 -0.056 0.000 1.288 615 A CA -0.162 51.876 52.037 0.001 0.000 0.956 615 A CB -0.454 18.544 19.000 -0.002 0.000 1.135 615 A HN 0.600 nan 8.150 nan 0.000 0.535 616 F N 2.136 122.107 119.950 0.036 0.000 2.387 616 F HA 0.054 4.587 4.527 0.009 0.000 0.294 616 F C 1.050 176.878 175.800 0.046 0.000 1.093 616 F CA 0.626 58.659 58.000 0.055 0.000 1.420 616 F CB 0.421 39.461 39.000 0.067 0.000 1.086 616 F HN 0.290 nan 8.300 nan 0.000 0.531 617 V N 4.416 124.452 119.914 0.203 0.000 2.405 617 V HA 0.004 4.129 4.120 0.009 0.000 0.264 617 V C 1.174 177.276 176.094 0.012 0.000 1.048 617 V CA -0.315 62.052 62.300 0.112 0.000 0.966 617 V CB 0.696 32.580 31.823 0.102 0.000 1.015 617 V HN 0.174 nan 8.190 nan 0.000 0.477 618 L N 3.678 124.836 121.223 -0.108 0.000 2.375 618 L HA 0.322 4.667 4.340 0.009 0.000 0.215 618 L C 0.149 176.837 176.870 -0.305 0.000 1.108 618 L CA 1.275 55.935 54.840 -0.301 0.000 0.830 618 L CB -0.899 40.739 42.059 -0.703 0.000 0.959 618 L HN 0.543 nan 8.230 nan 0.000 0.457 619 Y N 0.005 120.082 120.300 -0.371 0.000 2.624 619 Y HA 0.674 5.230 4.550 0.009 0.000 0.334 619 Y C -0.879 175.043 175.900 0.037 0.000 1.155 619 Y CA -0.723 57.200 58.100 -0.294 0.000 1.046 619 Y CB 1.748 39.775 38.460 -0.721 0.000 1.316 619 Y HN 0.091 nan 8.280 nan 0.000 0.457 620 G N 2.580 110.967 108.800 -0.687 0.000 2.768 620 G HA2 0.447 4.413 3.960 0.009 0.000 0.297 620 G HA3 0.447 4.413 3.960 0.009 0.000 0.297 620 G C -2.574 171.959 174.900 -0.611 0.000 1.430 620 G CA -0.673 44.183 45.100 -0.408 0.000 1.030 620 G HN 0.482 nan 8.290 nan 0.000 0.553 621 D N 1.126 121.358 120.400 -0.281 0.000 2.473 621 D HA 0.541 5.186 4.640 0.009 0.000 0.253 621 D C 1.200 177.519 176.300 0.031 0.000 1.233 621 D CA 0.600 54.531 54.000 -0.115 0.000 0.908 621 D CB 1.157 41.973 40.800 0.026 0.000 1.170 621 D HN 0.472 nan 8.370 nan 0.000 0.558 622 T N 2.453 117.048 114.554 0.068 0.000 12.940 622 T HA -0.291 4.065 4.350 0.009 0.000 0.419 622 T C 0.621 175.404 174.700 0.137 0.000 1.444 622 T CA 1.908 64.073 62.100 0.109 0.000 2.373 622 T CB -1.095 67.791 68.868 0.031 0.000 2.821 622 T HN 0.650 nan 8.240 nan 0.000 0.696 623 D N 1.052 121.513 120.400 0.103 0.000 2.563 623 D HA 0.299 4.945 4.640 0.009 0.000 0.256 623 D C -0.001 176.368 176.300 0.115 0.000 1.400 623 D CA 0.548 54.617 54.000 0.116 0.000 0.800 623 D CB -0.115 40.731 40.800 0.077 0.000 1.145 623 D HN 0.717 nan 8.370 nan 0.000 0.501 624 S N 0.548 116.308 115.700 0.100 0.000 2.503 624 S HA 0.767 5.242 4.470 0.009 0.000 0.301 624 S C -0.018 174.621 174.600 0.064 0.000 1.087 624 S CA -0.917 57.327 58.200 0.073 0.000 1.042 624 S CB 1.708 64.952 63.200 0.074 0.000 1.043 624 S HN 0.333 nan 8.310 nan 0.000 0.489 625 I N -0.408 120.187 120.570 0.042 0.000 2.509 625 I HA 0.618 4.793 4.170 0.009 0.000 0.293 625 I C -1.768 174.336 176.117 -0.021 0.000 1.020 625 I CA -1.209 60.136 61.300 0.074 0.000 1.088 625 I CB 1.196 39.267 38.000 0.119 0.000 1.267 625 I HN 0.603 nan 8.210 nan 0.000 0.430 626 Y N 4.697 125.057 120.300 0.099 0.000 2.331 626 Y HA 0.591 5.146 4.550 0.009 0.000 0.338 626 Y C -0.161 175.767 175.900 0.047 0.000 0.976 626 Y CA -0.751 57.395 58.100 0.078 0.000 1.137 626 Y CB 2.053 40.504 38.460 -0.015 0.000 1.172 626 Y HN 0.348 nan 8.280 nan 0.000 0.478 627 V N 2.955 123.023 119.914 0.256 0.000 2.370 627 V HA 0.196 4.321 4.120 0.009 0.000 0.283 627 V C 0.133 176.393 176.094 0.277 0.000 1.023 627 V CA -0.877 61.587 62.300 0.272 0.000 0.857 627 V CB 1.696 33.728 31.823 0.348 0.000 0.985 627 V HN 0.785 nan 8.190 nan 0.000 0.443 628 S N 3.883 119.743 115.700 0.266 0.000 2.465 628 S HA 0.234 4.710 4.470 0.009 0.000 0.307 628 S C 1.207 176.022 174.600 0.358 0.000 1.187 628 S CA 0.123 58.491 58.200 0.280 0.000 1.141 628 S CB 0.266 63.588 63.200 0.203 0.000 1.108 628 S HN 0.973 nan 8.310 nan 0.000 0.525 629 A N 4.284 127.303 122.820 0.331 0.000 2.251 629 A HA 0.105 4.430 4.320 0.009 0.000 0.209 629 A C 1.594 179.314 177.584 0.226 0.000 1.187 629 A CA 0.229 52.439 52.037 0.288 0.000 0.823 629 A CB -0.143 19.028 19.000 0.285 0.000 0.846 629 A HN 0.717 nan 8.150 nan 0.000 0.486 630 D N 0.615 121.173 120.400 0.263 0.000 2.087 630 D HA -0.180 4.466 4.640 0.009 0.000 0.192 630 D C 1.735 178.113 176.300 0.130 0.000 0.993 630 D CA 1.471 55.601 54.000 0.216 0.000 0.828 630 D CB -0.207 40.714 40.800 0.202 0.000 0.968 630 D HN 0.452 nan 8.370 nan 0.000 0.448 631 K N 0.077 120.577 120.400 0.167 0.000 2.280 631 K HA -0.026 4.300 4.320 0.009 0.000 0.202 631 K C 2.054 178.738 176.600 0.140 0.000 1.047 631 K CA 0.406 56.789 56.287 0.160 0.000 0.942 631 K CB -0.044 32.585 32.500 0.215 0.000 0.739 631 K HN 0.148 nan 8.250 nan 0.000 0.457 632 I N 0.671 121.314 120.570 0.122 0.000 2.761 632 I HA -0.206 3.970 4.170 0.009 0.000 0.261 632 I C 1.733 177.858 176.117 0.012 0.000 1.198 632 I CA 0.378 61.667 61.300 -0.017 0.000 1.482 632 I CB 0.035 37.927 38.000 -0.180 0.000 1.100 632 I HN 0.134 nan 8.210 nan 0.000 0.445 633 I N 0.386 120.953 120.570 -0.005 0.000 2.400 633 I HA -0.180 3.995 4.170 0.009 0.000 0.248 633 I C 2.009 178.108 176.117 -0.031 0.000 1.109 633 I CA 1.230 62.490 61.300 -0.066 0.000 1.425 633 I CB -1.095 36.701 38.000 -0.339 0.000 1.094 633 I HN 0.198 nan 8.210 nan 0.000 0.425 634 D N 1.292 121.688 120.400 -0.008 0.000 2.149 634 D HA -0.255 4.390 4.640 0.009 0.000 0.194 634 D C 2.090 178.389 176.300 -0.002 0.000 1.001 634 D CA 1.335 55.338 54.000 0.005 0.000 0.849 634 D CB -0.187 40.627 40.800 0.023 0.000 0.939 634 D HN 0.225 nan 8.370 nan 0.000 0.449 635 K N 0.200 120.600 120.400 -0.000 0.000 2.152 635 K HA -0.103 4.222 4.320 0.009 0.000 0.206 635 K C 1.542 178.120 176.600 -0.036 0.000 1.048 635 K CA 0.773 57.055 56.287 -0.009 0.000 0.933 635 K CB 0.232 32.731 32.500 -0.001 0.000 0.721 635 K HN 0.036 nan 8.250 nan 0.000 0.447 636 V N -0.407 119.472 119.914 -0.058 0.000 3.650 636 V HA 0.259 4.384 4.120 0.009 0.000 0.271 636 V C 0.592 176.627 176.094 -0.098 0.000 1.281 636 V CA 0.124 62.350 62.300 -0.123 0.000 1.120 636 V CB -0.392 31.289 31.823 -0.237 0.000 0.856 636 V HN 0.475 nan 8.190 nan 0.000 0.443 637 G N 1.179 109.955 108.800 -0.039 0.000 2.764 637 G HA2 -0.164 3.802 3.960 0.009 0.000 0.686 637 G HA3 -0.164 3.802 3.960 0.009 0.000 0.686 637 G C 0.295 175.210 174.900 0.025 0.000 1.258 637 G CA -0.060 45.029 45.100 -0.019 0.000 0.846 637 G HN 0.130 nan 8.290 nan 0.000 0.596 638 E N 0.368 120.585 120.200 0.029 0.000 2.013 638 E HA -0.132 4.224 4.350 0.009 0.000 0.202 638 E C 2.252 178.918 176.600 0.109 0.000 1.018 638 E CA 1.861 58.293 56.400 0.052 0.000 0.834 638 E CB -0.544 29.179 29.700 0.039 0.000 0.770 638 E HN 1.197 nan 8.360 nan 0.000 0.459 639 S N 0.721 116.462 115.700 0.068 0.000 2.411 639 S HA 0.339 4.815 4.470 0.009 0.000 0.304 639 S C 0.397 175.000 174.600 0.005 0.000 1.098 639 S CA -0.361 57.883 58.200 0.073 0.000 1.068 639 S CB 1.129 64.355 63.200 0.043 0.000 1.032 639 S HN 0.152 nan 8.310 nan 0.000 0.511 640 K N 2.247 122.637 120.400 -0.018 0.000 2.617 640 K HA 0.211 4.537 4.320 0.009 0.000 0.184 640 K C -1.496 174.796 176.600 -0.514 0.000 1.295 640 K CA -0.169 55.938 56.287 -0.300 0.000 1.112 640 K CB 0.497 32.716 32.500 -0.467 0.000 1.069 640 K HN 0.628 nan 8.250 nan 0.000 0.570 641 F N 0.752 120.705 119.950 0.006 0.000 2.493 641 F HA 0.457 4.989 4.527 0.008 0.000 0.329 641 F C 1.328 177.226 175.800 0.164 0.000 1.126 641 F CA -0.896 57.159 58.000 0.093 0.000 0.937 641 F CB 1.534 40.648 39.000 0.190 0.000 1.146 641 F HN -0.203 nan 8.300 nan 0.000 0.442 642 R N 0.712 121.447 120.500 0.391 0.000 2.073 642 R HA -0.117 4.228 4.340 0.009 0.000 0.234 642 R C -0.163 176.284 176.300 0.245 0.000 1.134 642 R CA 1.891 58.168 56.100 0.294 0.000 0.952 642 R CB -0.020 30.465 30.300 0.309 0.000 0.850 642 R HN 0.852 nan 8.270 nan 0.000 0.433 643 D N -3.958 116.588 120.400 0.243 0.000 2.592 643 D HA 0.088 4.733 4.640 0.009 0.000 0.263 643 D C 0.351 176.668 176.300 0.029 0.000 1.132 643 D CA -0.559 53.482 54.000 0.067 0.000 0.996 643 D CB 0.762 41.522 40.800 -0.067 0.000 1.442 643 D HN -0.248 nan 8.370 nan 0.000 0.486 644 T N 0.004 114.528 114.554 -0.050 0.000 2.653 644 T HA -0.210 4.146 4.350 0.009 0.000 0.268 644 T C 1.361 175.598 174.700 -0.771 0.000 1.035 644 T CA 2.102 64.049 62.100 -0.255 0.000 1.154 644 T CB -0.576 68.036 68.868 -0.427 0.000 0.862 644 T HN 0.519 nan 8.240 nan 0.000 0.441 645 N N -0.101 118.270 118.700 -0.548 0.000 2.635 645 N HA -0.051 4.694 4.740 0.009 0.000 0.191 645 N C 1.399 176.682 175.510 -0.378 0.000 1.155 645 N CA 0.678 53.423 53.050 -0.509 0.000 0.927 645 N CB -0.105 38.188 38.487 -0.323 0.000 0.976 645 N HN 0.617 nan 8.380 nan 0.000 0.448 646 H N -2.042 116.903 119.070 -0.209 0.000 2.431 646 H HA 0.020 4.581 4.556 0.007 0.000 0.295 646 H C 1.402 176.788 175.328 0.098 0.000 1.038 646 H CA 0.909 56.994 56.048 0.061 0.000 1.360 646 H CB 0.026 29.974 29.762 0.311 0.000 1.433 646 H HN 0.467 nan 8.280 nan 0.000 0.536 647 W N 0.744 121.975 121.300 -0.116 0.000 2.800 647 W HA 0.059 4.725 4.660 0.010 0.000 0.249 647 W C 0.499 176.969 176.519 -0.082 0.000 1.294 647 W CA 0.342 57.429 57.345 -0.430 0.000 1.402 647 W CB -0.749 28.051 29.460 -1.099 0.000 1.126 647 W HN -0.015 nan 8.180 nan 0.000 0.652 648 V N 1.671 121.244 119.914 -0.568 0.000 2.346 648 V HA -0.232 3.894 4.120 0.009 0.000 0.244 648 V C 2.367 178.412 176.094 -0.080 0.000 1.037 648 V CA 2.168 64.217 62.300 -0.419 0.000 1.029 648 V CB -0.896 30.542 31.823 -0.642 0.000 0.663 648 V HN -0.043 nan 8.190 nan 0.000 0.454 649 D N -0.110 120.274 120.400 -0.027 0.000 2.123 649 D HA -0.189 4.456 4.640 0.009 0.000 0.196 649 D C 1.958 178.359 176.300 0.168 0.000 0.992 649 D CA 1.512 55.558 54.000 0.076 0.000 0.833 649 D CB -0.191 40.677 40.800 0.114 0.000 0.954 649 D HN 0.440 nan 8.370 nan 0.000 0.455 650 F N 1.461 121.491 119.950 0.134 0.000 2.069 650 F HA -0.168 4.364 4.527 0.008 0.000 0.298 650 F C 2.172 178.094 175.800 0.203 0.000 1.113 650 F CA 1.254 59.372 58.000 0.198 0.000 1.214 650 F CB -0.580 38.609 39.000 0.314 0.000 0.978 650 F HN -0.113 nan 8.300 nan 0.000 0.474 651 L N 0.135 121.296 121.223 -0.102 0.000 2.093 651 L HA -0.182 4.164 4.340 0.009 0.000 0.208 651 L C 2.234 179.095 176.870 -0.015 0.000 1.085 651 L CA 1.715 56.459 54.840 -0.160 0.000 0.755 651 L CB -0.806 41.319 42.059 0.109 0.000 0.904 651 L HN 0.203 nan 8.230 nan 0.000 0.435 652 D N 0.397 120.807 120.400 0.016 0.000 2.123 652 D HA -0.223 4.422 4.640 0.009 0.000 0.196 652 D C 2.258 178.572 176.300 0.023 0.000 0.992 652 D CA 2.049 56.062 54.000 0.023 0.000 0.833 652 D CB 0.224 41.031 40.800 0.011 0.000 0.954 652 D HN 0.159 nan 8.370 nan 0.000 0.455 653 K N 0.033 120.441 120.400 0.014 0.000 2.025 653 K HA -0.085 4.241 4.320 0.009 0.000 0.207 653 K C 2.187 178.792 176.600 0.008 0.000 1.049 653 K CA 1.391 57.691 56.287 0.022 0.000 0.933 653 K CB -1.611 30.927 32.500 0.062 0.000 0.714 653 K HN 0.356 nan 8.250 nan 0.000 0.438 654 F N 1.504 121.323 119.950 -0.219 0.000 2.161 654 F HA -0.038 4.494 4.527 0.008 0.000 0.300 654 F C 2.516 178.298 175.800 -0.030 0.000 1.089 654 F CA 1.219 59.106 58.000 -0.189 0.000 1.282 654 F CB -0.307 38.443 39.000 -0.416 0.000 1.010 654 F HN 0.275 nan 8.300 nan 0.000 0.485 655 A N 0.458 123.315 122.820 0.061 0.000 1.841 655 A HA -0.181 4.144 4.320 0.009 0.000 0.214 655 A C 2.371 179.971 177.584 0.027 0.000 1.195 655 A CA 1.762 53.877 52.037 0.130 0.000 0.611 655 A CB -0.883 18.284 19.000 0.279 0.000 0.835 655 A HN 0.420 nan 8.150 nan 0.000 0.443 656 R N -0.609 119.909 120.500 0.029 0.000 2.075 656 R HA -0.084 4.261 4.340 0.009 0.000 0.232 656 R C 1.926 178.199 176.300 -0.045 0.000 1.126 656 R CA 1.468 57.576 56.100 0.012 0.000 0.963 656 R CB -0.102 30.209 30.300 0.018 0.000 0.858 656 R HN 0.545 nan 8.270 nan 0.000 0.435 657 E N -0.489 119.671 120.200 -0.068 0.000 2.230 657 E HA -0.071 4.285 4.350 0.009 0.000 0.192 657 E C 1.627 178.148 176.600 -0.131 0.000 0.987 657 E CA 0.649 57.006 56.400 -0.072 0.000 0.841 657 E CB 0.363 30.046 29.700 -0.029 0.000 0.783 657 E HN 0.247 nan 8.360 nan 0.000 0.481 658 R N -0.661 119.688 120.500 -0.251 0.000 2.306 658 R HA 0.307 4.652 4.340 0.009 0.000 0.183 658 R C 2.283 178.344 176.300 -0.399 0.000 0.937 658 R CA 0.143 56.051 56.100 -0.320 0.000 1.118 658 R CB -0.474 29.523 30.300 -0.505 0.000 1.224 658 R HN 0.094 nan 8.270 nan 0.000 0.597 659 M N 1.115 120.450 119.600 -0.441 0.000 2.099 659 M HA -0.070 4.415 4.480 0.009 0.000 0.262 659 M C 1.889 177.961 176.300 -0.380 0.000 1.067 659 M CA 1.743 56.809 55.300 -0.390 0.000 1.124 659 M CB -0.235 32.211 32.600 -0.257 0.000 1.353 659 M HN 0.152 nan 8.290 nan 0.000 0.410 660 E N -0.059 120.000 120.200 -0.236 0.000 2.051 660 E HA -0.193 4.163 4.350 0.009 0.000 0.192 660 E C -0.734 175.781 176.600 -0.142 0.000 0.991 660 E CA 1.252 57.564 56.400 -0.147 0.000 0.799 660 E CB -1.136 28.556 29.700 -0.014 0.000 0.748 660 E HN 0.373 nan 8.360 nan 0.000 0.449 661 P HA -0.203 nan 4.420 nan 0.000 0.216 661 P C 0.981 178.143 177.300 -0.230 0.000 1.150 661 P CA 1.853 64.859 63.100 -0.157 0.000 0.843 661 P CB 0.003 31.607 31.700 -0.159 0.000 0.787 662 A N -1.039 121.535 122.820 -0.412 0.000 1.897 662 A HA -0.133 4.192 4.320 0.009 0.000 0.215 662 A C 2.196 179.580 177.584 -0.334 0.000 1.181 662 A CA 1.204 52.920 52.037 -0.534 0.000 0.620 662 A CB -1.480 16.820 19.000 -1.166 0.000 0.821 662 A HN 0.102 nan 8.150 nan 0.000 0.443 663 I N -0.311 120.089 120.570 -0.283 0.000 2.179 663 I HA -0.247 3.929 4.170 0.009 0.000 0.242 663 I C 2.268 178.386 176.117 0.002 0.000 1.088 663 I CA 1.884 63.082 61.300 -0.169 0.000 1.357 663 I CB -0.372 37.538 38.000 -0.151 0.000 1.051 663 I HN 0.335 nan 8.210 nan 0.000 0.409 664 D N 0.708 121.140 120.400 0.053 0.000 2.182 664 D HA -0.183 4.462 4.640 0.009 0.000 0.201 664 D C 2.342 178.670 176.300 0.047 0.000 0.986 664 D CA 1.372 55.466 54.000 0.157 0.000 0.847 664 D CB 0.099 40.977 40.800 0.129 0.000 0.942 664 D HN 0.146 nan 8.370 nan 0.000 0.467 665 R N -0.633 119.849 120.500 -0.031 0.000 2.073 665 R HA 0.036 4.381 4.340 0.009 0.000 0.229 665 R C 2.491 178.786 176.300 -0.009 0.000 1.120 665 R CA 1.106 57.177 56.100 -0.049 0.000 0.967 665 R CB -0.514 29.737 30.300 -0.082 0.000 0.862 665 R HN 0.203 nan 8.270 nan 0.000 0.436 666 G N 0.181 108.967 108.800 -0.023 0.000 2.432 666 G HA2 -0.238 3.728 3.960 0.009 0.000 0.219 666 G HA3 -0.238 3.728 3.960 0.009 0.000 0.219 666 G C 1.034 176.031 174.900 0.162 0.000 1.135 666 G CA 0.541 45.666 45.100 0.041 0.000 0.767 666 G HN 0.159 nan 8.290 nan 0.000 0.550 667 F N 1.124 121.141 119.950 0.112 0.000 2.387 667 F HA 0.160 4.692 4.527 0.009 0.000 0.294 667 F C 2.819 178.577 175.800 -0.070 0.000 1.093 667 F CA 0.721 58.745 58.000 0.041 0.000 1.420 667 F CB -0.109 38.989 39.000 0.164 0.000 1.086 667 F HN 0.133 nan 8.300 nan 0.000 0.531 668 R N 0.231 120.706 120.500 -0.042 0.000 2.189 668 R HA -0.107 4.238 4.340 0.009 0.000 0.218 668 R C 1.799 178.076 176.300 -0.038 0.000 1.074 668 R CA 1.437 57.413 56.100 -0.205 0.000 0.991 668 R CB -0.880 29.189 30.300 -0.386 0.000 0.883 668 R HN 0.327 nan 8.270 nan 0.000 0.457 669 E N 1.284 121.507 120.200 0.038 0.000 2.072 669 E HA -0.173 4.182 4.350 0.009 0.000 0.191 669 E C 2.058 178.690 176.600 0.054 0.000 0.985 669 E CA 1.046 57.508 56.400 0.104 0.000 0.801 669 E CB -0.018 29.817 29.700 0.226 0.000 0.750 669 E HN 0.368 nan 8.360 nan 0.000 0.452 670 M N 0.339 119.845 119.600 -0.155 0.000 2.159 670 M HA -0.174 4.312 4.480 0.009 0.000 0.263 670 M C 2.482 178.664 176.300 -0.197 0.000 1.063 670 M CA 1.257 56.190 55.300 -0.612 0.000 1.110 670 M CB -0.273 31.648 32.600 -1.132 0.000 1.374 670 M HN 0.368 nan 8.290 nan 0.000 0.411 671 C N 1.104 120.377 119.300 -0.044 0.000 2.436 671 C HA -0.132 4.334 4.460 0.009 0.000 0.277 671 C C 2.539 177.541 174.990 0.020 0.000 1.241 671 C CA 1.229 60.262 59.018 0.026 0.000 1.721 671 C CB -0.984 26.802 27.740 0.077 0.000 2.043 671 C HN 0.556 nan 8.230 nan 0.000 0.472 672 E N -0.477 119.740 120.200 0.028 0.000 2.070 672 E HA -0.221 4.135 4.350 0.009 0.000 0.197 672 E C 1.868 178.525 176.600 0.095 0.000 1.004 672 E CA 1.577 58.006 56.400 0.048 0.000 0.805 672 E CB -0.827 28.902 29.700 0.049 0.000 0.744 672 E HN 0.841 nan 8.360 nan 0.000 0.451 673 Y N 0.582 120.847 120.300 -0.060 0.000 2.165 673 Y HA -0.164 4.391 4.550 0.009 0.000 0.286 673 Y C 2.032 177.888 175.900 -0.074 0.000 1.155 673 Y CA 1.296 59.364 58.100 -0.054 0.000 1.164 673 Y CB -0.081 38.334 38.460 -0.075 0.000 0.978 673 Y HN -0.034 nan 8.280 nan 0.000 0.513 674 M N 0.042 119.572 119.600 -0.116 0.000 2.495 674 M HA 0.045 4.531 4.480 0.009 0.000 0.237 674 M C 0.534 176.783 176.300 -0.084 0.000 1.131 674 M CA 0.439 55.633 55.300 -0.177 0.000 1.032 674 M CB -1.472 31.084 32.600 -0.073 0.000 1.513 674 M HN 0.334 nan 8.290 nan 0.000 0.488 675 N N 2.771 121.446 118.700 -0.041 0.000 2.714 675 N HA -0.210 4.536 4.740 0.009 0.000 0.253 675 N C -1.128 174.377 175.510 -0.008 0.000 1.024 675 N CA 0.378 53.415 53.050 -0.022 0.000 0.726 675 N CB -1.295 37.166 38.487 -0.043 0.000 0.908 675 N HN 0.512 nan 8.380 nan 0.000 0.542 676 N N 0.400 119.097 118.700 -0.006 0.000 2.495 676 N HA 0.218 4.963 4.740 0.009 0.000 0.280 676 N C 1.045 176.543 175.510 -0.020 0.000 1.168 676 N CA -0.715 52.322 53.050 -0.023 0.000 0.978 676 N CB 0.807 39.260 38.487 -0.057 0.000 1.191 676 N HN 0.151 nan 8.380 nan 0.000 0.497 677 K N 0.505 120.884 120.400 -0.035 0.000 1.988 677 K HA -0.237 4.088 4.320 0.009 0.000 0.221 677 K C 0.397 176.984 176.600 -0.023 0.000 1.053 677 K CA 1.622 57.894 56.287 -0.026 0.000 0.959 677 K CB -0.058 32.414 32.500 -0.048 0.000 0.728 677 K HN 0.596 nan 8.250 nan 0.000 0.447 678 Q N 0.242 120.011 119.800 -0.050 0.000 2.323 678 Q HA 0.052 4.398 4.340 0.009 0.000 0.271 678 Q C -1.324 174.646 176.000 -0.051 0.000 1.048 678 Q CA -0.533 55.253 55.803 -0.028 0.000 0.792 678 Q CB 1.534 30.247 28.738 -0.041 0.000 1.280 678 Q HN 0.310 nan 8.270 nan 0.000 0.441 679 H N 5.850 124.873 119.070 -0.078 0.000 3.026 679 H HA 0.107 4.668 4.556 0.009 0.000 0.289 679 H C -0.719 174.453 175.328 -0.261 0.000 1.022 679 H CA 0.699 56.668 56.048 -0.131 0.000 1.477 679 H CB 0.472 30.211 29.762 -0.039 0.000 1.510 679 H HN 0.702 nan 8.280 nan 0.000 0.535 680 L N 6.396 127.048 121.223 -0.952 0.000 3.439 680 L HA 0.178 4.523 4.340 0.009 0.000 0.313 680 L C -0.342 175.611 176.870 -1.529 0.000 1.292 680 L CA -0.115 53.995 54.840 -1.216 0.000 1.020 680 L CB 0.466 42.144 42.059 -0.635 0.000 1.424 680 L HN 0.591 nan 8.230 nan 0.000 0.612 681 M N 1.348 119.985 119.600 -1.604 0.000 2.206 681 M HA 0.383 4.868 4.480 0.009 0.000 0.353 681 M C -1.215 174.511 176.300 -0.956 0.000 1.242 681 M CA 0.142 54.721 55.300 -1.201 0.000 1.179 681 M CB 0.013 31.804 32.600 -1.348 0.000 1.374 681 M HN -0.112 nan 8.290 nan 0.000 0.427 682 F N 2.927 122.720 119.950 -0.261 0.000 2.467 682 F HA 0.572 5.105 4.527 0.010 0.000 0.336 682 F C 0.172 175.978 175.800 0.011 0.000 1.123 682 F CA -0.925 57.038 58.000 -0.062 0.000 0.964 682 F CB 1.257 40.232 39.000 -0.042 0.000 1.136 682 F HN 0.396 nan 8.300 nan 0.000 0.447 683 M N 3.032 122.803 119.600 0.285 0.000 2.080 683 M HA 0.203 4.688 4.480 0.009 0.000 0.350 683 M C -0.764 175.706 176.300 0.283 0.000 1.173 683 M CA -0.451 55.009 55.300 0.266 0.000 1.052 683 M CB 0.991 33.756 32.600 0.275 0.000 1.577 683 M HN 0.481 nan 8.290 nan 0.000 0.455 684 D N 3.402 123.942 120.400 0.233 0.000 2.264 684 D HA 0.112 4.758 4.640 0.009 0.000 0.250 684 D C -0.251 176.158 176.300 0.181 0.000 1.113 684 D CA -0.161 53.945 54.000 0.176 0.000 0.871 684 D CB 0.972 41.834 40.800 0.103 0.000 1.167 684 D HN 0.325 nan 8.370 nan 0.000 0.447 685 R N 3.204 123.781 120.500 0.128 0.000 2.442 685 R HA 0.044 4.390 4.340 0.009 0.000 0.291 685 R C 0.256 176.440 176.300 -0.194 0.000 1.069 685 R CA 0.188 56.168 56.100 -0.201 0.000 1.022 685 R CB 0.963 31.131 30.300 -0.221 0.000 0.976 685 R HN 0.602 nan 8.270 nan 0.000 0.443 686 E N 2.860 122.889 120.200 -0.284 0.000 2.205 686 E HA 0.317 4.672 4.350 0.009 0.000 0.219 686 E C -0.510 176.031 176.600 -0.098 0.000 0.948 686 E CA 0.573 56.891 56.400 -0.137 0.000 0.993 686 E CB 0.107 29.740 29.700 -0.111 0.000 1.441 686 E HN 0.711 nan 8.360 nan 0.000 0.511 687 A N 0.414 123.188 122.820 -0.078 0.000 2.294 687 A HA 0.683 5.009 4.320 0.009 0.000 0.330 687 A C -0.784 176.839 177.584 0.065 0.000 1.133 687 A CA -0.516 51.549 52.037 0.046 0.000 0.836 687 A CB 0.547 19.636 19.000 0.149 0.000 1.190 687 A HN 0.352 nan 8.150 nan 0.000 0.492 688 I N 0.878 121.551 120.570 0.172 0.000 2.439 688 I HA 0.595 4.770 4.170 0.009 0.000 0.285 688 I C 0.118 176.517 176.117 0.470 0.000 1.021 688 I CA -0.315 61.154 61.300 0.282 0.000 1.091 688 I CB 1.805 39.941 38.000 0.227 0.000 1.242 688 I HN 0.692 nan 8.210 nan 0.000 0.439 689 A N 4.415 127.560 122.820 0.542 0.000 2.413 689 A HA 1.050 5.376 4.320 0.009 0.000 0.307 689 A C -0.238 177.750 177.584 0.674 0.000 1.087 689 A CA -0.476 51.911 52.037 0.583 0.000 0.750 689 A CB 2.007 21.231 19.000 0.375 0.000 1.296 689 A HN 1.003 nan 8.150 nan 0.000 0.423 690 G N 0.338 109.542 108.800 0.673 0.000 2.339 690 G HA2 0.501 4.467 3.960 0.009 0.000 0.302 690 G HA3 0.501 4.467 3.960 0.009 0.000 0.302 690 G C -3.594 171.622 174.900 0.527 0.000 1.425 690 G CA -0.429 44.874 45.100 0.338 0.000 0.899 690 G HN 0.646 nan 8.290 nan 0.000 0.619 691 P HA 0.408 nan 4.420 nan 0.000 0.276 691 P C -2.721 174.861 177.300 0.470 0.000 1.252 691 P CA -1.343 61.914 63.100 0.263 0.000 0.802 691 P CB 0.392 32.107 31.700 0.024 0.000 1.035 692 P HA 0.145 nan 4.420 nan 0.000 0.269 692 P C 0.027 177.477 177.300 0.251 0.000 1.209 692 P CA 0.080 63.444 63.100 0.440 0.000 0.776 692 P CB 0.275 32.225 31.700 0.418 0.000 0.876 693 L N 1.981 123.343 121.223 0.231 0.000 2.490 693 L HA 0.207 4.553 4.340 0.009 0.000 0.274 693 L C 1.577 178.525 176.870 0.130 0.000 1.201 693 L CA 0.899 55.839 54.840 0.165 0.000 0.869 693 L CB -0.623 41.553 42.059 0.195 0.000 1.123 693 L HN 0.792 nan 8.230 nan 0.000 0.484 694 G N 1.823 110.682 108.800 0.098 0.000 2.160 694 G HA2 -0.270 3.695 3.960 0.009 0.000 0.251 694 G HA3 -0.270 3.695 3.960 0.009 0.000 0.251 694 G C 0.107 175.054 174.900 0.078 0.000 1.008 694 G CA 0.375 45.523 45.100 0.081 0.000 0.724 694 G HN 0.815 nan 8.290 nan 0.000 0.514 695 S N -2.205 113.545 115.700 0.083 0.000 2.532 695 S HA 0.800 5.275 4.470 0.009 0.000 0.301 695 S C 0.767 175.400 174.600 0.055 0.000 1.083 695 S CA 0.579 58.828 58.200 0.080 0.000 1.025 695 S CB 2.070 65.339 63.200 0.115 0.000 1.056 695 S HN 1.363 nan 8.310 nan 0.000 0.494 696 K N 1.723 122.152 120.400 0.047 0.000 2.487 696 K HA 0.404 4.730 4.320 0.009 0.000 0.192 696 K C 1.007 177.623 176.600 0.028 0.000 1.027 696 K CA 0.302 56.607 56.287 0.031 0.000 1.054 696 K CB -1.041 31.476 32.500 0.029 0.000 0.824 696 K HN 1.118 nan 8.250 nan 0.000 0.510 697 G N 0.530 109.355 108.800 0.042 0.000 2.732 697 G HA2 0.311 4.276 3.960 0.009 0.000 0.244 697 G HA3 0.311 4.276 3.960 0.009 0.000 0.244 697 G C 0.925 175.837 174.900 0.020 0.000 1.226 697 G CA 0.231 45.357 45.100 0.043 0.000 0.860 697 G HN 0.855 nan 8.290 nan 0.000 0.583 698 I N -2.640 117.949 120.570 0.032 0.000 4.057 698 I HA 0.432 4.608 4.170 0.009 0.000 0.334 698 I C 1.598 177.735 176.117 0.033 0.000 1.308 698 I CA 0.621 61.934 61.300 0.022 0.000 1.125 698 I CB 0.437 38.460 38.000 0.038 0.000 1.034 698 I HN 0.890 nan 8.210 nan 0.000 0.401 699 G N 1.492 110.325 108.800 0.055 0.000 3.444 699 G HA2 -0.177 3.788 3.960 0.009 0.000 0.222 699 G HA3 -0.177 3.788 3.960 0.009 0.000 0.222 699 G C 0.529 175.509 174.900 0.133 0.000 1.358 699 G CA 0.012 45.156 45.100 0.073 0.000 0.880 699 G HN 1.229 nan 8.290 nan 0.000 0.555 700 G N -1.181 107.732 108.800 0.189 0.000 2.506 700 G HA2 0.841 4.806 3.960 0.009 0.000 0.292 700 G HA3 0.841 4.806 3.960 0.009 0.000 0.292 700 G C -1.062 174.077 174.900 0.400 0.000 1.425 700 G CA 0.062 45.285 45.100 0.204 0.000 0.788 700 G HN 1.812 nan 8.290 nan 0.000 0.490 701 F N -2.391 117.652 119.950 0.154 0.000 2.703 701 F HA 0.787 5.320 4.527 0.009 0.000 0.308 701 F C -1.691 174.228 175.800 0.198 0.000 1.126 701 F CA -2.072 56.099 58.000 0.285 0.000 0.959 701 F CB 1.250 40.328 39.000 0.131 0.000 1.297 701 F HN 0.576 nan 8.300 nan 0.000 0.441 702 W N 1.836 123.294 121.300 0.264 0.000 2.627 702 W HA 0.409 5.075 4.660 0.009 0.000 0.339 702 W C 0.399 177.058 176.519 0.234 0.000 1.058 702 W CA -0.109 57.278 57.345 0.070 0.000 1.223 702 W CB 2.634 32.038 29.460 -0.094 0.000 1.389 702 W HN 0.876 nan 8.180 nan 0.000 0.541 703 T N -0.951 113.787 114.554 0.306 0.000 2.971 703 T HA 0.439 4.795 4.350 0.009 0.000 0.252 703 T C 0.473 175.295 174.700 0.204 0.000 1.022 703 T CA 0.681 62.950 62.100 0.282 0.000 0.980 703 T CB 0.999 70.037 68.868 0.284 0.000 1.044 703 T HN 0.590 nan 8.240 nan 0.000 0.501 704 G N 0.548 109.462 108.800 0.190 0.000 2.335 704 G HA2 0.392 4.357 3.960 0.009 0.000 0.291 704 G HA3 0.392 4.357 3.960 0.009 0.000 0.291 704 G C -1.903 173.088 174.900 0.150 0.000 1.261 704 G CA -1.156 44.037 45.100 0.154 0.000 0.871 704 G HN 0.278 nan 8.290 nan 0.000 0.491 705 K N 1.161 121.659 120.400 0.163 0.000 2.448 705 K HA 0.313 4.638 4.320 0.009 0.000 0.278 705 K C 0.262 176.977 176.600 0.192 0.000 1.009 705 K CA 0.286 56.717 56.287 0.240 0.000 0.995 705 K CB 0.410 33.028 32.500 0.198 0.000 0.917 705 K HN 0.524 nan 8.250 nan 0.000 0.481 706 K N 1.018 121.597 120.400 0.297 0.000 3.472 706 K HA -0.240 4.086 4.320 0.009 0.000 0.315 706 K C -0.698 175.911 176.600 0.015 0.000 1.320 706 K CA 1.277 57.690 56.287 0.211 0.000 0.962 706 K CB -1.183 31.397 32.500 0.133 0.000 1.251 706 K HN 0.685 nan 8.250 nan 0.000 0.443 707 R N 0.124 120.607 120.500 -0.027 0.000 2.507 707 R HA 0.448 4.793 4.340 0.009 0.000 0.298 707 R C -0.640 175.440 176.300 -0.368 0.000 1.087 707 R CA -0.769 55.211 56.100 -0.200 0.000 0.917 707 R CB 1.103 31.371 30.300 -0.055 0.000 1.173 707 R HN 0.231 nan 8.270 nan 0.000 0.472 708 Y N -0.840 118.998 120.300 -0.771 0.000 2.741 708 Y HA 0.804 5.359 4.550 0.009 0.000 0.339 708 Y C -1.927 173.305 175.900 -1.113 0.000 1.226 708 Y CA -1.388 55.955 58.100 -1.261 0.000 1.072 708 Y CB 1.217 38.242 38.460 -2.392 0.000 1.331 708 Y HN 0.521 nan 8.280 nan 0.000 0.453 709 A N 1.920 124.061 122.820 -1.132 0.000 2.486 709 A HA 0.876 5.201 4.320 0.009 0.000 0.300 709 A C -2.102 175.145 177.584 -0.561 0.000 1.048 709 A CA -0.843 50.680 52.037 -0.857 0.000 0.696 709 A CB 1.565 19.988 19.000 -0.962 0.000 1.278 709 A HN 0.817 nan 8.150 nan 0.000 0.405 710 L N 1.169 122.213 121.223 -0.299 0.000 2.445 710 L HA 0.429 4.774 4.340 0.009 0.000 0.262 710 L C -0.723 176.101 176.870 -0.076 0.000 0.974 710 L CA -0.934 53.844 54.840 -0.103 0.000 0.822 710 L CB 2.548 44.621 42.059 0.023 0.000 1.339 710 L HN 0.799 nan 8.230 nan 0.000 0.409 711 N N 1.536 120.226 118.700 -0.017 0.000 2.437 711 N HA 0.394 5.140 4.740 0.009 0.000 0.243 711 N C -1.218 174.210 175.510 -0.135 0.000 1.041 711 N CA -0.187 52.800 53.050 -0.105 0.000 0.940 711 N CB 1.033 39.487 38.487 -0.054 0.000 1.133 711 N HN 0.271 nan 8.380 nan 0.000 0.506 712 V N 4.263 124.049 119.914 -0.214 0.000 2.427 712 V HA 0.297 4.423 4.120 0.009 0.000 0.286 712 V C 0.135 176.141 176.094 -0.147 0.000 1.034 712 V CA -0.496 61.773 62.300 -0.050 0.000 0.893 712 V CB 1.262 33.138 31.823 0.088 0.000 0.982 712 V HN 0.780 nan 8.190 nan 0.000 0.452 713 W N 0.591 122.009 121.300 0.196 0.000 2.735 713 W HA 0.313 4.978 4.660 0.008 0.000 0.264 713 W C 0.680 177.262 176.519 0.105 0.000 1.233 713 W CA -0.073 57.359 57.345 0.145 0.000 1.408 713 W CB 0.643 30.078 29.460 -0.042 0.000 1.038 713 W HN 0.458 nan 8.180 nan 0.000 0.603 714 D N 0.479 121.022 120.400 0.238 0.000 2.855 714 D HA 0.219 4.865 4.640 0.009 0.000 0.241 714 D C -1.440 174.854 176.300 -0.011 0.000 1.277 714 D CA -0.422 53.566 54.000 -0.021 0.000 0.918 714 D CB 1.569 42.351 40.800 -0.029 0.000 1.462 714 D HN -0.206 nan 8.370 nan 0.000 0.559 715 M N 3.718 123.233 119.600 -0.142 0.000 2.043 715 M HA 0.261 4.747 4.480 0.009 0.000 0.322 715 M C -0.379 175.869 176.300 -0.086 0.000 0.962 715 M CA 0.099 55.385 55.300 -0.023 0.000 0.927 715 M CB 0.347 33.035 32.600 0.147 0.000 1.466 715 M HN 0.435 nan 8.290 nan 0.000 0.412 716 E N 3.631 123.792 120.200 -0.065 0.000 2.340 716 E HA -0.235 4.120 4.350 0.009 0.000 0.240 716 E C 0.803 177.355 176.600 -0.080 0.000 1.154 716 E CA 0.790 57.152 56.400 -0.063 0.000 0.717 716 E CB -1.644 28.030 29.700 -0.042 0.000 1.250 716 E HN 1.304 nan 8.360 nan 0.000 0.386 717 G N -0.801 107.945 108.800 -0.091 0.000 2.454 717 G HA2 -0.355 3.610 3.960 0.009 0.000 0.225 717 G HA3 -0.355 3.610 3.960 0.009 0.000 0.225 717 G C 0.509 175.329 174.900 -0.133 0.000 1.138 717 G CA 0.247 45.294 45.100 -0.089 0.000 0.667 717 G HN 0.349 nan 8.290 nan 0.000 0.512 718 T N 2.557 116.998 114.554 -0.187 0.000 2.758 718 T HA 0.401 4.757 4.350 0.009 0.000 0.281 718 T C 0.533 174.958 174.700 -0.458 0.000 0.963 718 T CA 0.548 62.474 62.100 -0.289 0.000 1.201 718 T CB 0.785 69.460 68.868 -0.321 0.000 0.906 718 T HN 0.565 nan 8.240 nan 0.000 0.528 719 R N 3.293 123.611 120.500 -0.303 0.000 2.254 719 R HA 0.310 4.656 4.340 0.009 0.000 0.318 719 R C -1.347 174.834 176.300 -0.198 0.000 1.031 719 R CA -0.553 55.405 56.100 -0.237 0.000 0.905 719 R CB 0.032 30.276 30.300 -0.093 0.000 1.050 719 R HN 0.464 nan 8.270 nan 0.000 0.456 720 Y N 2.834 123.163 120.300 0.047 0.000 2.308 720 Y HA 0.327 4.882 4.550 0.008 0.000 0.329 720 Y C 1.338 177.274 175.900 0.060 0.000 1.111 720 Y CA -0.165 57.957 58.100 0.038 0.000 1.179 720 Y CB 1.491 39.955 38.460 0.007 0.000 1.201 720 Y HN 0.806 nan 8.280 nan 0.000 0.483 721 A N 2.010 124.964 122.820 0.223 0.000 1.845 721 A HA -0.138 4.188 4.320 0.009 0.000 0.215 721 A C 0.632 178.325 177.584 0.182 0.000 1.195 721 A CA 1.452 53.580 52.037 0.152 0.000 0.616 721 A CB -0.321 18.762 19.000 0.138 0.000 0.832 721 A HN 0.671 nan 8.150 nan 0.000 0.443 722 E N 0.031 120.317 120.200 0.143 0.000 2.179 722 E HA 0.443 4.798 4.350 0.009 0.000 0.275 722 E C -2.690 173.860 176.600 -0.084 0.000 0.945 722 E CA -2.863 53.569 56.400 0.053 0.000 0.792 722 E CB 1.242 30.950 29.700 0.014 0.000 1.125 722 E HN 0.193 nan 8.360 nan 0.000 0.397 723 P HA 0.070 nan 4.420 nan 0.000 0.268 723 P C -0.952 176.073 177.300 -0.459 0.000 1.205 723 P CA 0.035 62.795 63.100 -0.567 0.000 0.771 723 P CB 0.703 31.653 31.700 -1.249 0.000 0.858 724 K N 1.854 121.953 120.400 -0.500 0.000 2.208 724 K HA 0.520 4.845 4.320 0.009 0.000 0.247 724 K C -0.299 176.104 176.600 -0.328 0.000 0.953 724 K CA -0.936 55.083 56.287 -0.445 0.000 0.837 724 K CB 1.391 33.507 32.500 -0.640 0.000 1.131 724 K HN 0.385 nan 8.250 nan 0.000 0.431 725 L N 2.677 123.744 121.223 -0.260 0.000 2.265 725 L HA 0.290 4.636 4.340 0.009 0.000 0.288 725 L C -0.135 176.621 176.870 -0.190 0.000 1.058 725 L CA -0.651 54.061 54.840 -0.214 0.000 0.809 725 L CB 0.732 42.671 42.059 -0.200 0.000 1.179 725 L HN 0.354 nan 8.230 nan 0.000 0.429 726 K N 5.001 125.306 120.400 -0.159 0.000 2.273 726 K HA 0.506 4.831 4.320 0.009 0.000 0.287 726 K C -0.967 175.479 176.600 -0.255 0.000 1.089 726 K CA 0.121 56.324 56.287 -0.140 0.000 0.909 726 K CB 0.192 32.677 32.500 -0.024 0.000 1.123 726 K HN 0.433 nan 8.250 nan 0.000 0.473 727 I N 4.958 125.349 120.570 -0.297 0.000 2.436 727 I HA 0.382 4.557 4.170 0.009 0.000 0.289 727 I C -0.867 174.974 176.117 -0.460 0.000 1.010 727 I CA -0.997 60.048 61.300 -0.424 0.000 1.098 727 I CB 1.778 39.570 38.000 -0.346 0.000 1.266 727 I HN 0.441 nan 8.210 nan 0.000 0.434 728 M N 3.920 123.092 119.600 -0.713 0.000 2.326 728 M HA 0.563 5.048 4.480 0.009 0.000 0.306 728 M C 0.631 176.601 176.300 -0.549 0.000 1.054 728 M CA -0.130 54.767 55.300 -0.671 0.000 0.922 728 M CB 1.804 33.793 32.600 -1.018 0.000 1.632 728 M HN 0.780 nan 8.290 nan 0.000 0.436 729 G N 2.236 110.854 108.800 -0.302 0.000 2.412 729 G HA2 -0.242 3.724 3.960 0.009 0.000 0.252 729 G HA3 -0.242 3.724 3.960 0.009 0.000 0.252 729 G C 0.223 175.046 174.900 -0.128 0.000 1.038 729 G CA 0.510 45.502 45.100 -0.181 0.000 0.628 729 G HN 0.632 nan 8.290 nan 0.000 0.531 730 L N 0.789 121.901 121.223 -0.186 0.000 2.473 730 L HA 0.193 4.539 4.340 0.009 0.000 0.265 730 L C 2.035 178.900 176.870 -0.009 0.000 1.243 730 L CA -0.003 54.793 54.840 -0.073 0.000 0.822 730 L CB 0.148 42.051 42.059 -0.259 0.000 1.101 730 L HN 0.144 nan 8.230 nan 0.000 0.507 731 E N 0.219 120.490 120.200 0.119 0.000 2.204 731 E HA -0.166 4.190 4.350 0.009 0.000 0.195 731 E C 1.872 178.505 176.600 0.054 0.000 0.990 731 E CA 1.688 58.145 56.400 0.095 0.000 0.821 731 E CB -0.504 29.279 29.700 0.138 0.000 0.750 731 E HN 0.890 nan 8.360 nan 0.000 0.477 732 T N -0.882 113.688 114.554 0.026 0.000 2.977 732 T HA -0.144 4.211 4.350 0.009 0.000 0.271 732 T C 1.662 176.351 174.700 -0.019 0.000 1.105 732 T CA 1.039 63.137 62.100 -0.003 0.000 1.116 732 T CB 0.006 68.838 68.868 -0.059 0.000 0.878 732 T HN -0.044 nan 8.240 nan 0.000 0.509 733 Q N 0.351 120.127 119.800 -0.039 0.000 2.352 733 Q HA 0.327 4.672 4.340 0.009 0.000 0.212 733 Q C 0.221 176.212 176.000 -0.015 0.000 0.888 733 Q CA 0.378 56.158 55.803 -0.038 0.000 0.934 733 Q CB 0.412 29.101 28.738 -0.082 0.000 1.093 733 Q HN 0.534 nan 8.270 nan 0.000 0.523 734 K N 0.143 120.539 120.400 -0.007 0.000 2.205 734 K HA 0.172 4.497 4.320 0.009 0.000 0.279 734 K C 0.724 177.324 176.600 -0.001 0.000 1.027 734 K CA 0.224 56.508 56.287 -0.006 0.000 0.932 734 K CB 1.311 33.808 32.500 -0.004 0.000 1.032 734 K HN 0.058 nan 8.250 nan 0.000 0.466 735 S N 0.002 115.691 115.700 -0.018 0.000 2.607 735 S HA -0.109 4.366 4.470 0.009 0.000 0.224 735 S C 1.582 176.153 174.600 -0.048 0.000 0.969 735 S CA 0.864 59.043 58.200 -0.034 0.000 0.927 735 S CB -0.185 62.976 63.200 -0.065 0.000 0.772 735 S HN 0.619 nan 8.310 nan 0.000 0.533 736 S N 0.687 116.364 115.700 -0.038 0.000 2.478 736 S HA 0.068 4.543 4.470 0.009 0.000 0.222 736 S C 0.771 175.372 174.600 0.001 0.000 1.008 736 S CA -0.067 58.107 58.200 -0.043 0.000 0.928 736 S CB -0.929 62.239 63.200 -0.054 0.000 0.781 736 S HN 0.419 nan 8.310 nan 0.000 0.518 737 T N 5.608 120.177 114.554 0.025 0.000 2.916 737 T HA 0.273 4.629 4.350 0.009 0.000 0.303 737 T C -2.598 172.150 174.700 0.082 0.000 1.025 737 T CA -0.906 61.233 62.100 0.064 0.000 1.142 737 T CB 0.521 69.435 68.868 0.076 0.000 0.947 737 T HN 0.279 nan 8.240 nan 0.000 0.544 738 P HA 0.089 nan 4.420 nan 0.000 0.265 738 P C 0.656 178.028 177.300 0.120 0.000 1.193 738 P CA -0.216 62.953 63.100 0.114 0.000 0.765 738 P CB 0.858 32.639 31.700 0.136 0.000 0.823 739 K N 3.054 123.517 120.400 0.104 0.000 2.113 739 K HA -0.203 4.123 4.320 0.009 0.000 0.208 739 K C 1.954 178.619 176.600 0.108 0.000 1.047 739 K CA 1.973 58.323 56.287 0.106 0.000 0.928 739 K CB -0.526 32.038 32.500 0.107 0.000 0.716 739 K HN 0.498 nan 8.250 nan 0.000 0.446 740 A N -0.009 122.881 122.820 0.117 0.000 1.929 740 A HA -0.065 4.260 4.320 0.009 0.000 0.216 740 A C 2.116 179.821 177.584 0.202 0.000 1.176 740 A CA 1.329 53.462 52.037 0.160 0.000 0.628 740 A CB -0.264 18.832 19.000 0.161 0.000 0.816 740 A HN 0.153 nan 8.150 nan 0.000 0.444 741 V N -0.129 119.925 119.914 0.233 0.000 2.719 741 V HA -0.232 3.893 4.120 0.009 0.000 0.252 741 V C 2.503 178.708 176.094 0.186 0.000 1.065 741 V CA 1.768 64.229 62.300 0.268 0.000 1.086 741 V CB -0.788 31.253 31.823 0.362 0.000 0.700 741 V HN 0.594 nan 8.190 nan 0.000 0.467 742 Q N 0.006 119.889 119.800 0.138 0.000 2.050 742 Q HA -0.227 4.119 4.340 0.009 0.000 0.202 742 Q C 2.400 178.439 176.000 0.065 0.000 0.980 742 Q CA 1.588 57.447 55.803 0.094 0.000 0.840 742 Q CB -0.175 28.611 28.738 0.080 0.000 0.898 742 Q HN 0.571 nan 8.270 nan 0.000 0.424 743 K N 0.114 120.552 120.400 0.064 0.000 2.025 743 K HA -0.101 4.225 4.320 0.009 0.000 0.207 743 K C 2.119 178.731 176.600 0.020 0.000 1.049 743 K CA 1.054 57.364 56.287 0.038 0.000 0.933 743 K CB -0.156 32.380 32.500 0.060 0.000 0.714 743 K HN 0.126 nan 8.250 nan 0.000 0.438 744 A N 1.426 124.252 122.820 0.010 0.000 1.902 744 A HA -0.136 4.190 4.320 0.009 0.000 0.217 744 A C 2.118 179.768 177.584 0.110 0.000 1.181 744 A CA 1.292 53.302 52.037 -0.046 0.000 0.623 744 A CB -0.600 17.940 19.000 -0.767 0.000 0.818 744 A HN 0.167 nan 8.150 nan 0.000 0.443 745 L N -0.899 120.410 121.223 0.145 0.000 2.156 745 L HA -0.119 4.226 4.340 0.009 0.000 0.208 745 L C 2.573 179.456 176.870 0.021 0.000 1.095 745 L CA 1.529 56.447 54.840 0.129 0.000 0.770 745 L CB -0.301 41.862 42.059 0.174 0.000 0.914 745 L HN 0.425 nan 8.230 nan 0.000 0.439 746 K N 0.169 120.555 120.400 -0.024 0.000 2.097 746 K HA -0.240 4.085 4.320 0.009 0.000 0.205 746 K C 2.052 178.576 176.600 -0.126 0.000 1.050 746 K CA 1.364 57.599 56.287 -0.086 0.000 0.938 746 K CB 0.167 32.619 32.500 -0.079 0.000 0.718 746 K HN 0.053 nan 8.250 nan 0.000 0.442 747 E N 0.488 120.585 120.200 -0.171 0.000 2.106 747 E HA -0.124 4.231 4.350 0.009 0.000 0.192 747 E C 1.727 178.156 176.600 -0.284 0.000 0.984 747 E CA 1.231 57.426 56.400 -0.342 0.000 0.806 747 E CB -0.392 28.870 29.700 -0.729 0.000 0.750 747 E HN 0.329 nan 8.360 nan 0.000 0.458 748 C N -0.111 119.116 119.300 -0.121 0.000 2.425 748 C HA -0.014 4.451 4.460 0.009 0.000 0.277 748 C C 2.602 177.590 174.990 -0.004 0.000 1.280 748 C CA 0.578 59.605 59.018 0.015 0.000 1.744 748 C CB -0.940 26.873 27.740 0.123 0.000 1.989 748 C HN 0.454 nan 8.230 nan 0.000 0.491 749 I N 0.018 120.566 120.570 -0.036 0.000 2.286 749 I HA -0.146 4.029 4.170 0.009 0.000 0.245 749 I C 2.849 178.949 176.117 -0.029 0.000 1.104 749 I CA 1.192 62.479 61.300 -0.023 0.000 1.397 749 I CB -0.546 37.393 38.000 -0.102 0.000 1.072 749 I HN 0.263 nan 8.210 nan 0.000 0.417 750 R N 1.023 121.475 120.500 -0.080 0.000 2.091 750 R HA -0.150 4.195 4.340 0.009 0.000 0.238 750 R C 2.421 178.692 176.300 -0.048 0.000 1.136 750 R CA 1.510 57.560 56.100 -0.083 0.000 0.959 750 R CB -0.077 30.151 30.300 -0.120 0.000 0.856 750 R HN 0.302 nan 8.270 nan 0.000 0.437 751 R N -0.485 119.985 120.500 -0.049 0.000 2.148 751 R HA -0.039 4.306 4.340 0.009 0.000 0.223 751 R C 2.299 178.611 176.300 0.021 0.000 1.088 751 R CA 1.215 57.310 56.100 -0.009 0.000 0.985 751 R CB -0.113 30.188 30.300 0.000 0.000 0.880 751 R HN 0.289 nan 8.270 nan 0.000 0.451 752 M N 0.280 119.892 119.600 0.021 0.000 2.132 752 M HA -0.120 4.366 4.480 0.009 0.000 0.263 752 M C 1.998 178.326 176.300 0.046 0.000 1.065 752 M CA 1.631 56.946 55.300 0.025 0.000 1.122 752 M CB 0.051 32.656 32.600 0.007 0.000 1.365 752 M HN 0.130 nan 8.290 nan 0.000 0.411 753 L N -1.250 120.008 121.223 0.058 0.000 2.162 753 L HA -0.110 4.235 4.340 0.009 0.000 0.205 753 L C 2.050 178.961 176.870 0.067 0.000 1.086 753 L CA 0.956 55.839 54.840 0.072 0.000 0.778 753 L CB -0.496 41.596 42.059 0.056 0.000 0.928 753 L HN 0.371 nan 8.230 nan 0.000 0.446 754 Q N -0.723 119.107 119.800 0.050 0.000 2.392 754 Q HA 0.011 4.357 4.340 0.009 0.000 0.219 754 Q C 1.207 177.257 176.000 0.083 0.000 0.895 754 Q CA 0.523 56.371 55.803 0.076 0.000 0.929 754 Q CB 0.752 29.512 28.738 0.037 0.000 1.077 754 Q HN 0.492 nan 8.270 nan 0.000 0.532 755 E N -0.755 119.481 120.200 0.059 0.000 2.475 755 E HA 0.266 4.622 4.350 0.009 0.000 0.205 755 E C 0.346 176.977 176.600 0.051 0.000 0.822 755 E CA 0.333 56.768 56.400 0.058 0.000 1.240 755 E CB 1.584 31.315 29.700 0.052 0.000 1.222 755 E HN 0.227 nan 8.360 nan 0.000 0.581 756 G N 1.323 110.149 108.800 0.043 0.000 2.343 756 G HA2 -0.214 3.751 3.960 0.009 0.000 0.562 756 G HA3 -0.214 3.751 3.960 0.009 0.000 0.562 756 G C 0.206 175.127 174.900 0.035 0.000 1.269 756 G CA -0.079 45.041 45.100 0.034 0.000 1.011 756 G HN 0.097 nan 8.290 nan 0.000 0.498 757 E N -0.164 120.051 120.200 0.024 0.000 2.086 757 E HA -0.209 4.146 4.350 0.009 0.000 0.205 757 E C 2.139 178.764 176.600 0.042 0.000 1.027 757 E CA 2.828 59.241 56.400 0.023 0.000 0.830 757 E CB -0.085 29.620 29.700 0.009 0.000 0.751 757 E HN 0.492 nan 8.360 nan 0.000 0.456 758 E N 0.075 120.302 120.200 0.044 0.000 2.031 758 E HA -0.164 4.192 4.350 0.009 0.000 0.193 758 E C 2.267 178.918 176.600 0.084 0.000 0.994 758 E CA 1.260 57.694 56.400 0.057 0.000 0.800 758 E CB -0.858 28.870 29.700 0.047 0.000 0.752 758 E HN 0.258 nan 8.360 nan 0.000 0.447 759 S N 0.850 116.599 115.700 0.082 0.000 2.392 759 S HA -0.155 4.320 4.470 0.009 0.000 0.232 759 S C 1.951 176.637 174.600 0.144 0.000 1.041 759 S CA 0.804 59.065 58.200 0.102 0.000 1.026 759 S CB -0.249 62.997 63.200 0.076 0.000 0.845 759 S HN 0.220 nan 8.310 nan 0.000 0.465 760 L N 0.787 122.091 121.223 0.134 0.000 1.976 760 L HA -0.193 4.153 4.340 0.009 0.000 0.209 760 L C 2.637 179.668 176.870 0.267 0.000 1.071 760 L CA 1.975 56.924 54.840 0.182 0.000 0.746 760 L CB -0.629 41.507 42.059 0.128 0.000 0.890 760 L HN 0.453 nan 8.230 nan 0.000 0.432 761 Q N -0.438 119.486 119.800 0.207 0.000 2.135 761 Q HA -0.260 4.086 4.340 0.009 0.000 0.204 761 Q C 1.927 178.098 176.000 0.286 0.000 0.981 761 Q CA 1.873 57.817 55.803 0.234 0.000 0.856 761 Q CB -0.130 28.685 28.738 0.128 0.000 0.902 761 Q HN 0.609 nan 8.270 nan 0.000 0.425 762 E N -0.104 120.235 120.200 0.231 0.000 2.051 762 E HA -0.221 4.135 4.350 0.009 0.000 0.192 762 E C 1.663 178.416 176.600 0.255 0.000 0.991 762 E CA 1.132 57.659 56.400 0.211 0.000 0.799 762 E CB -0.184 29.619 29.700 0.171 0.000 0.748 762 E HN 0.378 nan 8.360 nan 0.000 0.449 763 Y N 0.152 120.572 120.300 0.201 0.000 2.314 763 Y HA -0.168 4.388 4.550 0.009 0.000 0.293 763 Y C 1.960 178.038 175.900 0.298 0.000 1.129 763 Y CA 0.965 59.191 58.100 0.211 0.000 1.201 763 Y CB -0.081 38.484 38.460 0.175 0.000 0.999 763 Y HN 0.019 nan 8.280 nan 0.000 0.541 764 F N 0.805 120.936 119.950 0.301 0.000 2.102 764 F HA -0.144 4.388 4.527 0.009 0.000 0.298 764 F C 2.391 178.317 175.800 0.211 0.000 1.105 764 F CA 2.082 60.279 58.000 0.328 0.000 1.239 764 F CB -0.424 38.795 39.000 0.364 0.000 0.991 764 F HN -0.129 nan 8.300 nan 0.000 0.474 765 K N 0.044 120.591 120.400 0.244 0.000 2.002 765 K HA -0.264 4.061 4.320 0.009 0.000 0.209 765 K C 2.174 178.733 176.600 -0.069 0.000 1.048 765 K CA 1.876 58.215 56.287 0.086 0.000 0.930 765 K CB -0.307 32.290 32.500 0.161 0.000 0.714 765 K HN 0.236 nan 8.250 nan 0.000 0.438 766 E N 0.058 120.220 120.200 -0.063 0.000 2.077 766 E HA -0.192 4.163 4.350 0.009 0.000 0.193 766 E C 1.694 178.170 176.600 -0.208 0.000 0.989 766 E CA 1.243 57.569 56.400 -0.124 0.000 0.800 766 E CB -0.311 29.325 29.700 -0.108 0.000 0.746 766 E HN 0.326 nan 8.360 nan 0.000 0.452 767 F N 1.848 121.526 119.950 -0.454 0.000 2.102 767 F HA -0.153 4.380 4.527 0.009 0.000 0.298 767 F C 2.007 177.592 175.800 -0.359 0.000 1.105 767 F CA 2.186 59.900 58.000 -0.476 0.000 1.239 767 F CB -0.391 38.248 39.000 -0.602 0.000 0.991 767 F HN 0.201 nan 8.300 nan 0.000 0.474 768 E N -0.100 119.808 120.200 -0.487 0.000 2.347 768 E HA -0.199 4.156 4.350 0.009 0.000 0.196 768 E C 2.050 178.454 176.600 -0.326 0.000 1.008 768 E CA 1.053 57.147 56.400 -0.510 0.000 0.852 768 E CB -0.495 28.896 29.700 -0.515 0.000 0.783 768 E HN 0.453 nan 8.360 nan 0.000 0.505 769 K N 0.339 120.581 120.400 -0.263 0.000 2.288 769 K HA -0.068 4.257 4.320 0.009 0.000 0.201 769 K C 1.390 177.874 176.600 -0.193 0.000 1.048 769 K CA 0.950 57.130 56.287 -0.179 0.000 0.956 769 K CB 0.352 32.776 32.500 -0.126 0.000 0.746 769 K HN 0.054 nan 8.250 nan 0.000 0.461 770 E N -0.795 119.242 120.200 -0.272 0.000 2.465 770 E HA -0.033 4.322 4.350 0.009 0.000 0.209 770 E C 1.255 177.660 176.600 -0.325 0.000 0.951 770 E CA -0.066 56.177 56.400 -0.261 0.000 0.997 770 E CB -0.034 29.531 29.700 -0.225 0.000 1.025 770 E HN 0.212 nan 8.360 nan 0.000 0.500 771 F N 3.238 122.793 119.950 -0.659 0.000 2.111 771 F HA -0.276 4.257 4.527 0.009 0.000 0.300 771 F C 1.973 177.613 175.800 -0.266 0.000 1.088 771 F CA 1.714 59.326 58.000 -0.647 0.000 1.243 771 F CB 0.213 38.784 39.000 -0.715 0.000 0.996 771 F HN -0.107 nan 8.300 nan 0.000 0.483 772 R N -0.027 120.395 120.500 -0.131 0.000 2.293 772 R HA -0.114 4.231 4.340 0.009 0.000 0.219 772 R C 1.706 177.830 176.300 -0.292 0.000 1.091 772 R CA 0.794 56.718 56.100 -0.295 0.000 1.004 772 R CB -0.575 29.518 30.300 -0.345 0.000 0.865 772 R HN 0.475 nan 8.270 nan 0.000 0.469 773 Q N 0.146 119.810 119.800 -0.227 0.000 2.384 773 Q HA 0.189 4.534 4.340 0.009 0.000 0.207 773 Q C 0.753 176.680 176.000 -0.122 0.000 0.904 773 Q CA 0.117 55.824 55.803 -0.159 0.000 0.933 773 Q CB 0.305 28.960 28.738 -0.139 0.000 1.077 773 Q HN 0.275 nan 8.270 nan 0.000 0.522 774 L N 1.935 123.054 121.223 -0.174 0.000 2.452 774 L HA 0.061 4.407 4.340 0.009 0.000 0.267 774 L C 0.753 177.587 176.870 -0.060 0.000 1.188 774 L CA -0.494 54.262 54.840 -0.140 0.000 0.821 774 L CB 0.080 42.001 42.059 -0.230 0.000 1.102 774 L HN 0.013 nan 8.230 nan 0.000 0.470 775 N N 0.802 119.482 118.700 -0.034 0.000 2.411 775 N HA -0.150 4.595 4.740 0.009 0.000 0.261 775 N C 0.687 176.185 175.510 -0.020 0.000 1.248 775 N CA 0.179 53.238 53.050 0.014 0.000 0.885 775 N CB 0.463 38.931 38.487 -0.033 0.000 1.062 775 N HN 0.462 nan 8.380 nan 0.000 0.471 776 Y N 3.601 123.863 120.300 -0.064 0.000 2.241 776 Y HA -0.126 4.430 4.550 0.009 0.000 0.286 776 Y C 1.600 177.451 175.900 -0.082 0.000 1.166 776 Y CA 1.134 59.187 58.100 -0.078 0.000 1.203 776 Y CB -0.658 37.767 38.460 -0.058 0.000 0.977 776 Y HN 0.571 nan 8.280 nan 0.000 0.529 777 I N 1.074 121.074 120.570 -0.950 0.000 2.226 777 I HA -0.290 3.886 4.170 0.009 0.000 0.245 777 I C 2.680 178.528 176.117 -0.448 0.000 1.100 777 I CA 1.884 62.681 61.300 -0.838 0.000 1.374 777 I CB -0.622 36.909 38.000 -0.781 0.000 1.057 777 I HN 0.487 nan 8.210 nan 0.000 0.413 778 S N 1.346 116.888 115.700 -0.263 0.000 2.474 778 S HA -0.085 4.390 4.470 0.009 0.000 0.235 778 S C 1.574 176.137 174.600 -0.062 0.000 0.997 778 S CA 0.752 58.885 58.200 -0.113 0.000 0.949 778 S CB -0.662 62.500 63.200 -0.064 0.000 0.766 778 S HN 0.667 nan 8.310 nan 0.000 0.517 779 I N -1.717 118.792 120.570 -0.101 0.000 3.936 779 I HA 0.642 4.818 4.170 0.009 0.000 0.330 779 I C 0.412 176.539 176.117 0.016 0.000 1.509 779 I CA -0.862 60.417 61.300 -0.035 0.000 1.126 779 I CB 0.207 38.089 38.000 -0.197 0.000 1.115 779 I HN 0.215 nan 8.210 nan 0.000 0.424 780 A N 0.982 123.778 122.820 -0.040 0.000 2.310 780 A HA 0.712 5.037 4.320 0.009 0.000 0.299 780 A C 0.445 178.069 177.584 0.067 0.000 1.147 780 A CA -0.226 51.815 52.037 0.007 0.000 0.818 780 A CB 0.597 19.528 19.000 -0.114 0.000 1.096 780 A HN 0.357 nan 8.150 nan 0.000 0.495 781 S N -0.289 115.467 115.700 0.092 0.000 2.608 781 S HA 0.472 4.948 4.470 0.009 0.000 0.261 781 S C -0.070 174.558 174.600 0.047 0.000 1.314 781 S CA -0.335 57.912 58.200 0.079 0.000 0.992 781 S CB 0.893 64.143 63.200 0.083 0.000 0.935 781 S HN 0.640 nan 8.310 nan 0.000 0.564 782 V N 1.156 121.055 119.914 -0.024 0.000 2.638 782 V HA 0.740 4.865 4.120 0.009 0.000 0.306 782 V C -0.184 175.808 176.094 -0.171 0.000 1.052 782 V CA -0.474 61.738 62.300 -0.147 0.000 0.885 782 V CB 1.857 33.564 31.823 -0.193 0.000 0.999 782 V HN 0.809 nan 8.190 nan 0.000 0.424 783 S N 2.230 117.793 115.700 -0.228 0.000 2.607 783 S HA 0.743 5.219 4.470 0.009 0.000 0.273 783 S C -0.457 173.991 174.600 -0.253 0.000 1.148 783 S CA -0.276 57.749 58.200 -0.291 0.000 0.833 783 S CB 2.174 65.089 63.200 -0.476 0.000 1.130 783 S HN 1.057 nan 8.310 nan 0.000 0.470 784 S N 1.619 117.177 115.700 -0.237 0.000 2.585 784 S HA 0.737 5.212 4.470 0.009 0.000 0.277 784 S C -0.071 174.535 174.600 0.009 0.000 1.241 784 S CA -0.557 57.572 58.200 -0.120 0.000 1.041 784 S CB 1.325 64.469 63.200 -0.092 0.000 0.987 784 S HN 1.111 nan 8.310 nan 0.000 0.512 785 A N 2.998 125.833 122.820 0.025 0.000 2.798 785 A HA 0.429 4.754 4.320 0.009 0.000 0.316 785 A C -0.162 177.467 177.584 0.076 0.000 1.506 785 A CA -0.819 51.266 52.037 0.081 0.000 1.162 785 A CB -1.037 17.965 19.000 0.003 0.000 1.138 785 A HN 0.884 nan 8.150 nan 0.000 0.532 786 N N 1.216 119.995 118.700 0.132 0.000 2.362 786 N HA 0.420 5.165 4.740 0.009 0.000 0.298 786 N C -0.518 175.069 175.510 0.128 0.000 1.048 786 N CA -0.857 52.255 53.050 0.104 0.000 0.858 786 N CB 0.882 39.425 38.487 0.094 0.000 1.218 786 N HN 0.631 nan 8.380 nan 0.000 0.488 787 N N 0.722 119.489 118.700 0.111 0.000 2.758 787 N HA -0.187 4.559 4.740 0.009 0.000 0.248 787 N C 0.374 175.995 175.510 0.185 0.000 1.076 787 N CA 0.004 53.130 53.050 0.125 0.000 0.696 787 N CB -1.112 37.463 38.487 0.147 0.000 0.979 787 N HN 0.556 nan 8.380 nan 0.000 0.550 788 I N -0.528 120.144 120.570 0.170 0.000 2.163 788 I HA -0.321 3.854 4.170 0.009 0.000 0.243 788 I C 2.619 178.873 176.117 0.229 0.000 1.085 788 I CA 1.755 63.179 61.300 0.206 0.000 1.347 788 I CB -0.450 37.683 38.000 0.221 0.000 1.044 788 I HN 0.491 nan 8.210 nan 0.000 0.408 789 A N 0.888 123.801 122.820 0.154 0.000 1.940 789 A HA -0.278 4.048 4.320 0.009 0.000 0.219 789 A C 2.436 179.993 177.584 -0.045 0.000 1.176 789 A CA 2.031 54.053 52.037 -0.025 0.000 0.631 789 A CB -0.640 18.233 19.000 -0.212 0.000 0.814 789 A HN 0.415 nan 8.150 nan 0.000 0.446 790 K N -1.678 118.674 120.400 -0.080 0.000 2.152 790 K HA -0.167 4.158 4.320 0.009 0.000 0.206 790 K C 0.478 176.843 176.600 -0.393 0.000 1.048 790 K CA 1.643 57.749 56.287 -0.301 0.000 0.933 790 K CB -0.190 32.009 32.500 -0.503 0.000 0.721 790 K HN 0.652 nan 8.250 nan 0.000 0.447 791 Y N -0.420 119.889 120.300 0.014 0.000 2.636 791 Y HA 0.105 4.661 4.550 0.009 0.000 0.260 791 Y C 1.154 177.079 175.900 0.042 0.000 1.177 791 Y CA -0.567 57.547 58.100 0.022 0.000 1.209 791 Y CB 0.313 38.778 38.460 0.008 0.000 1.166 791 Y HN 0.062 nan 8.280 nan 0.000 0.531 792 D N 0.688 121.179 120.400 0.151 0.000 2.084 792 D HA -0.153 4.492 4.640 0.009 0.000 0.194 792 D C 0.983 177.370 176.300 0.144 0.000 0.990 792 D CA 1.423 55.513 54.000 0.150 0.000 0.826 792 D CB 0.078 40.959 40.800 0.134 0.000 0.971 792 D HN -0.022 nan 8.370 nan 0.000 0.453 793 V N 0.072 120.054 119.914 0.114 0.000 5.771 793 V HA -0.197 3.929 4.120 0.009 0.000 0.180 793 V C 1.379 177.581 176.094 0.180 0.000 0.710 793 V CA 0.977 63.351 62.300 0.123 0.000 0.522 793 V CB -2.241 29.655 31.823 0.122 0.000 0.231 793 V HN 0.539 nan 8.190 nan 0.000 0.424 794 G N 0.477 109.371 108.800 0.157 0.000 2.175 794 G HA2 0.085 4.050 3.960 0.009 0.000 0.265 794 G HA3 0.085 4.050 3.960 0.009 0.000 0.265 794 G C 1.492 176.534 174.900 0.237 0.000 0.979 794 G CA 0.808 46.025 45.100 0.194 0.000 0.663 794 G HN 2.726 nan 8.290 nan 0.000 0.533 795 G N -2.451 106.445 108.800 0.161 0.000 2.138 795 G HA2 0.016 3.981 3.960 0.009 0.000 0.193 795 G HA3 0.016 3.981 3.960 0.009 0.000 0.193 795 G C 0.048 174.776 174.900 -0.287 0.000 0.998 795 G CA 0.230 45.307 45.100 -0.039 0.000 0.668 795 G HN 1.250 nan 8.290 nan 0.000 0.516 796 F N -0.164 119.817 119.950 0.051 0.000 2.588 796 F HA 0.601 5.133 4.527 0.009 0.000 0.314 796 F C -2.202 173.628 175.800 0.049 0.000 1.069 796 F CA -2.607 55.416 58.000 0.040 0.000 0.931 796 F CB 2.120 41.139 39.000 0.032 0.000 1.260 796 F HN -0.205 nan 8.300 nan 0.000 0.465 797 P HA 0.084 nan 4.420 nan 0.000 0.261 797 P C 0.013 177.414 177.300 0.168 0.000 1.183 797 P CA 0.277 63.462 63.100 0.141 0.000 0.761 797 P CB 0.317 32.070 31.700 0.088 0.000 0.785 798 G N 4.611 113.529 108.800 0.196 0.000 2.510 798 G HA2 0.455 4.420 3.960 0.009 0.000 0.280 798 G HA3 0.455 4.420 3.960 0.009 0.000 0.280 798 G C -2.494 172.518 174.900 0.186 0.000 1.386 798 G CA -1.312 43.899 45.100 0.184 0.000 1.047 798 G HN 0.285 nan 8.290 nan 0.000 0.527 799 P HA 0.239 nan 4.420 nan 0.000 0.268 799 P C -0.184 177.251 177.300 0.225 0.000 1.204 799 P CA 0.047 63.235 63.100 0.147 0.000 0.768 799 P CB 0.701 32.461 31.700 0.100 0.000 0.842 800 K N -1.305 119.186 120.400 0.151 0.000 3.426 800 K HA -0.213 4.113 4.320 0.009 0.000 0.315 800 K C 0.205 176.820 176.600 0.024 0.000 1.293 800 K CA 0.458 56.826 56.287 0.135 0.000 0.955 800 K CB -2.183 30.435 32.500 0.196 0.000 1.238 800 K HN 0.570 nan 8.250 nan 0.000 0.441 801 C N 2.377 121.645 119.300 -0.054 0.000 2.592 801 C HA 0.127 4.592 4.460 0.009 0.000 0.408 801 C C -1.405 173.355 174.990 -0.383 0.000 1.436 801 C CA -1.486 57.243 59.018 -0.482 0.000 1.595 801 C CB -0.525 27.098 27.740 -0.195 0.000 2.487 801 C HN 0.184 nan 8.230 nan 0.000 0.610 802 P HA 0.054 nan 4.420 nan 0.000 0.269 802 P C 0.512 177.729 177.300 -0.138 0.000 1.217 802 P CA -0.058 62.896 63.100 -0.243 0.000 0.783 802 P CB 0.242 31.760 31.700 -0.303 0.000 0.898 803 F N 1.780 121.677 119.950 -0.088 0.000 2.102 803 F HA -0.232 4.300 4.527 0.009 0.000 0.298 803 F C 2.508 178.291 175.800 -0.030 0.000 1.105 803 F CA 1.866 59.848 58.000 -0.031 0.000 1.239 803 F CB -0.465 38.554 39.000 0.032 0.000 0.991 803 F HN 0.473 nan 8.300 nan 0.000 0.474 804 H N -0.502 118.586 119.070 0.029 0.000 2.389 804 H HA -0.091 4.471 4.556 0.009 0.000 0.299 804 H C 2.201 177.451 175.328 -0.130 0.000 1.081 804 H CA 1.627 57.633 56.048 -0.069 0.000 1.345 804 H CB -1.016 28.739 29.762 -0.011 0.000 1.393 804 H HN 0.231 nan 8.280 nan 0.000 0.520 805 I N 1.653 121.805 120.570 -0.697 0.000 2.286 805 I HA -0.200 3.976 4.170 0.009 0.000 0.248 805 I C 2.875 178.834 176.117 -0.263 0.000 1.115 805 I CA 0.962 61.989 61.300 -0.455 0.000 1.392 805 I CB -0.991 36.708 38.000 -0.503 0.000 1.065 805 I HN 0.256 nan 8.210 nan 0.000 0.418 806 R N 1.227 121.557 120.500 -0.284 0.000 2.083 806 R HA -0.155 4.190 4.340 0.009 0.000 0.237 806 R C 2.385 178.551 176.300 -0.224 0.000 1.137 806 R CA 1.848 57.812 56.100 -0.228 0.000 0.951 806 R CB -0.574 29.572 30.300 -0.258 0.000 0.851 806 R HN 0.372 nan 8.270 nan 0.000 0.434 807 G N 0.976 109.602 108.800 -0.290 0.000 2.450 807 G HA2 -0.224 3.742 3.960 0.009 0.000 0.220 807 G HA3 -0.224 3.742 3.960 0.009 0.000 0.220 807 G C 1.478 176.322 174.900 -0.094 0.000 1.130 807 G CA 0.848 45.822 45.100 -0.211 0.000 0.760 807 G HN 0.310 nan 8.290 nan 0.000 0.557 808 I N 0.154 120.667 120.570 -0.096 0.000 2.252 808 I HA -0.073 4.103 4.170 0.009 0.000 0.245 808 I C 2.642 178.769 176.117 0.017 0.000 1.102 808 I CA 0.552 61.830 61.300 -0.036 0.000 1.385 808 I CB -0.127 37.834 38.000 -0.065 0.000 1.064 808 I HN 0.129 nan 8.210 nan 0.000 0.414 809 L N 0.267 121.465 121.223 -0.042 0.000 2.093 809 L HA -0.186 4.159 4.340 0.009 0.000 0.208 809 L C 2.818 179.633 176.870 -0.092 0.000 1.085 809 L CA 1.930 56.735 54.840 -0.059 0.000 0.755 809 L CB -1.008 41.007 42.059 -0.074 0.000 0.904 809 L HN 0.428 nan 8.230 nan 0.000 0.435 810 T N -3.417 111.085 114.554 -0.085 0.000 2.951 810 T HA -0.256 4.099 4.350 0.009 0.000 0.268 810 T C 1.804 176.489 174.700 -0.024 0.000 1.073 810 T CA 0.909 62.959 62.100 -0.084 0.000 1.134 810 T CB -0.573 68.243 68.868 -0.086 0.000 0.884 810 T HN 0.361 nan 8.240 nan 0.000 0.479 811 Y N 2.714 122.946 120.300 -0.115 0.000 2.145 811 Y HA -0.041 4.514 4.550 0.009 0.000 0.286 811 Y C 2.071 177.948 175.900 -0.040 0.000 1.145 811 Y CA 1.705 59.761 58.100 -0.074 0.000 1.148 811 Y CB -0.748 37.693 38.460 -0.032 0.000 0.981 811 Y HN 0.297 nan 8.280 nan 0.000 0.507 812 N N -0.376 118.317 118.700 -0.012 0.000 2.289 812 N HA -0.140 4.605 4.740 0.009 0.000 0.184 812 N C 1.782 177.204 175.510 -0.147 0.000 1.016 812 N CA 0.832 53.820 53.050 -0.103 0.000 0.872 812 N CB -0.105 38.363 38.487 -0.031 0.000 0.973 812 N HN 0.365 nan 8.380 nan 0.000 0.433 813 R N 0.796 121.212 120.500 -0.140 0.000 2.066 813 R HA 0.015 4.360 4.340 0.009 0.000 0.232 813 R C 2.318 178.559 176.300 -0.099 0.000 1.131 813 R CA 1.200 57.219 56.100 -0.134 0.000 0.955 813 R CB -0.307 29.879 30.300 -0.190 0.000 0.851 813 R HN 0.196 nan 8.270 nan 0.000 0.432 814 A N 1.782 124.556 122.820 -0.077 0.000 1.972 814 A HA -0.123 4.203 4.320 0.009 0.000 0.219 814 A C 2.132 179.644 177.584 -0.119 0.000 1.169 814 A CA 1.389 53.404 52.037 -0.036 0.000 0.635 814 A CB -0.492 18.603 19.000 0.158 0.000 0.810 814 A HN 0.469 nan 8.150 nan 0.000 0.446 815 I N -3.836 116.591 120.570 -0.239 0.000 3.728 815 I HA 0.319 4.494 4.170 0.009 0.000 0.307 815 I C 1.042 177.081 176.117 -0.131 0.000 1.276 815 I CA 0.408 61.571 61.300 -0.228 0.000 1.285 815 I CB -0.650 37.111 38.000 -0.399 0.000 1.038 815 I HN 0.081 nan 8.210 nan 0.000 0.445 816 K N 2.102 122.436 120.400 -0.109 0.000 2.484 816 K HA 0.476 4.801 4.320 0.009 0.000 0.280 816 K C 1.123 177.701 176.600 -0.037 0.000 1.013 816 K CA 0.553 56.804 56.287 -0.060 0.000 1.029 816 K CB -0.702 31.769 32.500 -0.048 0.000 0.902 816 K HN 0.781 nan 8.250 nan 0.000 0.481 817 G N 1.380 110.170 108.800 -0.017 0.000 3.211 817 G HA2 -0.226 3.740 3.960 0.009 0.000 0.206 817 G HA3 -0.226 3.740 3.960 0.009 0.000 0.206 817 G C 0.232 175.132 174.900 0.000 0.000 1.418 817 G CA -0.008 45.089 45.100 -0.006 0.000 0.958 817 G HN 0.802 nan 8.290 nan 0.000 0.567 818 N N 1.501 120.195 118.700 -0.010 0.000 2.399 818 N HA 0.311 5.056 4.740 0.009 0.000 0.259 818 N C 0.770 176.287 175.510 0.013 0.000 1.160 818 N CA 0.051 53.102 53.050 0.001 0.000 0.946 818 N CB 1.500 39.983 38.487 -0.007 0.000 1.156 818 N HN 0.343 nan 8.380 nan 0.000 0.489 819 I N 2.414 123.002 120.570 0.031 0.000 3.578 819 I HA -0.107 4.069 4.170 0.009 0.000 0.295 819 I C 1.642 177.798 176.117 0.065 0.000 1.280 819 I CA 0.558 61.888 61.300 0.050 0.000 1.347 819 I CB 0.066 38.103 38.000 0.062 0.000 1.051 819 I HN 0.440 nan 8.210 nan 0.000 0.460 820 D N 0.874 121.306 120.400 0.053 0.000 2.277 820 D HA 0.010 4.656 4.640 0.009 0.000 0.208 820 D C 1.193 177.538 176.300 0.075 0.000 0.962 820 D CA 0.442 54.478 54.000 0.060 0.000 0.865 820 D CB -0.562 40.264 40.800 0.043 0.000 0.939 820 D HN 0.233 nan 8.370 nan 0.000 0.510 821 A N 1.644 124.502 122.820 0.063 0.000 2.520 821 A HA 0.329 4.654 4.320 0.009 0.000 0.235 821 A C -2.209 175.448 177.584 0.121 0.000 1.065 821 A CA -0.772 51.310 52.037 0.076 0.000 0.764 821 A CB -0.397 18.617 19.000 0.023 0.000 1.002 821 A HN 0.083 nan 8.150 nan 0.000 0.502 822 P HA 0.188 nan 4.420 nan 0.000 0.276 822 P C -0.532 176.896 177.300 0.214 0.000 1.243 822 P CA -0.121 63.085 63.100 0.177 0.000 0.768 822 P CB 0.557 32.369 31.700 0.186 0.000 0.856 823 Q N 1.354 121.231 119.800 0.128 0.000 2.306 823 Q HA 0.247 4.593 4.340 0.009 0.000 0.241 823 Q C -0.240 175.780 176.000 0.035 0.000 0.948 823 Q CA -0.588 55.278 55.803 0.105 0.000 0.886 823 Q CB 1.548 30.308 28.738 0.036 0.000 1.227 823 Q HN 0.242 nan 8.270 nan 0.000 0.457 824 V N 3.068 122.995 119.914 0.021 0.000 2.461 824 V HA 0.230 4.356 4.120 0.009 0.000 0.275 824 V C -0.541 175.494 176.094 -0.099 0.000 1.047 824 V CA -0.300 61.951 62.300 -0.082 0.000 0.955 824 V CB 1.001 32.757 31.823 -0.111 0.000 0.988 824 V HN 0.474 nan 8.190 nan 0.000 0.471 825 V N 6.828 126.677 119.914 -0.109 0.000 2.472 825 V HA 0.410 4.535 4.120 0.009 0.000 0.290 825 V C 0.455 176.513 176.094 -0.060 0.000 1.037 825 V CA -0.849 61.397 62.300 -0.090 0.000 0.908 825 V CB 1.530 33.281 31.823 -0.120 0.000 0.985 825 V HN 0.865 nan 8.190 nan 0.000 0.454 826 E N 2.409 122.603 120.200 -0.011 0.000 2.608 826 E HA 0.106 4.461 4.350 0.009 0.000 0.259 826 E C 1.316 177.903 176.600 -0.021 0.000 0.951 826 E CA 1.413 57.823 56.400 0.018 0.000 0.945 826 E CB 0.700 30.439 29.700 0.065 0.000 0.916 826 E HN 1.088 nan 8.360 nan 0.000 0.477 827 G N 3.985 112.772 108.800 -0.020 0.000 2.284 827 G HA2 -0.314 3.651 3.960 0.009 0.000 0.247 827 G HA3 -0.314 3.651 3.960 0.009 0.000 0.247 827 G C 0.419 175.275 174.900 -0.073 0.000 1.012 827 G CA 0.532 45.603 45.100 -0.047 0.000 0.618 827 G HN 0.524 nan 8.290 nan 0.000 0.521 828 E N 0.824 120.974 120.200 -0.083 0.000 2.342 828 E HA 0.507 4.863 4.350 0.009 0.000 0.257 828 E C 0.274 176.799 176.600 -0.125 0.000 1.150 828 E CA -0.687 55.650 56.400 -0.105 0.000 0.926 828 E CB 0.510 30.137 29.700 -0.121 0.000 1.074 828 E HN 0.092 nan 8.360 nan 0.000 0.449 829 K N 0.840 121.145 120.400 -0.159 0.000 2.185 829 K HA 0.297 4.622 4.320 0.009 0.000 0.271 829 K C -0.329 176.067 176.600 -0.339 0.000 1.013 829 K CA -0.319 55.825 56.287 -0.238 0.000 0.943 829 K CB 1.053 33.384 32.500 -0.281 0.000 0.998 829 K HN 0.367 nan 8.250 nan 0.000 0.468 830 V N -0.872 118.816 119.914 -0.378 0.000 2.962 830 V HA 0.473 4.599 4.120 0.009 0.000 0.313 830 V C -1.072 174.661 176.094 -0.601 0.000 1.099 830 V CA -1.196 60.817 62.300 -0.479 0.000 0.971 830 V CB 1.273 32.907 31.823 -0.314 0.000 1.028 830 V HN 0.506 nan 8.190 nan 0.000 0.430 831 Y N 1.558 121.372 120.300 -0.809 0.000 2.299 831 Y HA 0.717 5.272 4.550 0.009 0.000 0.326 831 Y C 0.345 175.776 175.900 -0.782 0.000 1.164 831 Y CA -0.591 56.924 58.100 -0.974 0.000 1.234 831 Y CB 1.768 39.186 38.460 -1.737 0.000 1.219 831 Y HN 0.582 nan 8.280 nan 0.000 0.497 832 V N 5.375 125.174 119.914 -0.191 0.000 2.588 832 V HA 0.517 4.642 4.120 0.009 0.000 0.304 832 V C -0.597 175.580 176.094 0.138 0.000 1.042 832 V CA -1.029 61.270 62.300 -0.001 0.000 0.877 832 V CB 1.953 33.815 31.823 0.066 0.000 0.996 832 V HN 0.549 nan 8.190 nan 0.000 0.425 833 L N 6.259 127.616 121.223 0.222 0.000 2.408 833 L HA 0.615 4.961 4.340 0.009 0.000 0.268 833 L C -2.567 174.412 176.870 0.182 0.000 0.986 833 L CA -1.707 53.269 54.840 0.226 0.000 0.820 833 L CB 3.532 45.763 42.059 0.285 0.000 1.303 833 L HN 0.434 nan 8.230 nan 0.000 0.411 834 P HA 0.349 nan 4.420 nan 0.000 0.277 834 P C -1.296 176.098 177.300 0.156 0.000 1.240 834 P CA -0.475 62.758 63.100 0.221 0.000 0.798 834 P CB 1.670 33.517 31.700 0.245 0.000 0.979 835 L N 1.934 123.251 121.223 0.158 0.000 2.354 835 L HA 0.485 4.830 4.340 0.009 0.000 0.264 835 L C 0.802 177.789 176.870 0.195 0.000 1.008 835 L CA -0.862 54.082 54.840 0.172 0.000 0.819 835 L CB 1.510 43.649 42.059 0.132 0.000 1.339 835 L HN 0.307 nan 8.230 nan 0.000 0.420 836 R N 1.124 121.787 120.500 0.271 0.000 2.490 836 R HA 0.276 4.622 4.340 0.009 0.000 0.278 836 R C -0.282 176.166 176.300 0.247 0.000 1.069 836 R CA -0.669 55.597 56.100 0.277 0.000 1.080 836 R CB 0.707 31.212 30.300 0.342 0.000 1.030 836 R HN 0.689 nan 8.270 nan 0.000 0.491 837 E N 1.096 121.409 120.200 0.188 0.000 2.608 837 E HA -0.060 4.296 4.350 0.009 0.000 0.259 837 E C 0.288 176.965 176.600 0.127 0.000 0.951 837 E CA 0.569 57.049 56.400 0.133 0.000 0.945 837 E CB 0.114 29.883 29.700 0.115 0.000 0.916 837 E HN 0.828 nan 8.360 nan 0.000 0.477 838 G N 3.316 112.129 108.800 0.021 0.000 2.272 838 G HA2 -0.320 3.645 3.960 0.009 0.000 0.280 838 G HA3 -0.320 3.645 3.960 0.009 0.000 0.280 838 G C -0.175 174.519 174.900 -0.344 0.000 1.067 838 G CA 0.346 45.412 45.100 -0.057 0.000 0.902 838 G HN 0.944 nan 8.290 nan 0.000 0.500 839 N N -0.534 117.841 118.700 -0.542 0.000 2.463 839 N HA 0.670 5.415 4.740 0.009 0.000 0.270 839 N C -0.573 174.459 175.510 -0.797 0.000 1.205 839 N CA -1.506 50.794 53.050 -1.250 0.000 0.974 839 N CB 1.050 39.047 38.487 -0.816 0.000 1.197 839 N HN 0.028 nan 8.380 nan 0.000 0.504 840 P HA -0.104 nan 4.420 nan 0.000 0.222 840 P C 0.298 177.271 177.300 -0.544 0.000 1.147 840 P CA 1.166 63.878 63.100 -0.647 0.000 0.790 840 P CB -0.073 31.192 31.700 -0.724 0.000 0.780 841 F N -0.019 119.770 119.950 -0.268 0.000 2.710 841 F HA 0.286 4.819 4.527 0.009 0.000 0.298 841 F C 1.833 177.559 175.800 -0.123 0.000 1.137 841 F CA 0.814 58.716 58.000 -0.163 0.000 1.444 841 F CB -1.110 37.811 39.000 -0.133 0.000 1.111 841 F HN -0.004 nan 8.300 nan 0.000 0.580 842 G N 1.072 109.874 108.800 0.004 0.000 2.273 842 G HA2 -0.239 3.726 3.960 0.009 0.000 0.280 842 G HA3 -0.239 3.726 3.960 0.009 0.000 0.280 842 G C -0.535 174.400 174.900 0.059 0.000 1.047 842 G CA 0.546 45.655 45.100 0.016 0.000 0.869 842 G HN 0.378 nan 8.290 nan 0.000 0.502 843 D N -1.743 118.689 120.400 0.053 0.000 2.694 843 D HA 0.232 4.878 4.640 0.009 0.000 0.260 843 D C 1.166 177.482 176.300 0.027 0.000 1.250 843 D CA -0.226 53.798 54.000 0.040 0.000 0.763 843 D CB 0.386 41.197 40.800 0.018 0.000 1.311 843 D HN 0.169 nan 8.370 nan 0.000 0.420 844 K N -0.783 119.631 120.400 0.024 0.000 2.487 844 K HA 0.261 4.586 4.320 0.009 0.000 0.192 844 K C 0.441 177.062 176.600 0.035 0.000 1.027 844 K CA 0.094 56.420 56.287 0.064 0.000 1.054 844 K CB -0.493 32.085 32.500 0.131 0.000 0.824 844 K HN 0.427 nan 8.250 nan 0.000 0.510 845 C N -1.275 117.970 119.300 -0.092 0.000 3.284 845 C HA 0.734 5.200 4.460 0.009 0.000 0.338 845 C C -1.335 173.544 174.990 -0.185 0.000 1.237 845 C CA -1.473 57.449 59.018 -0.159 0.000 1.276 845 C CB 0.384 27.827 27.740 -0.495 0.000 1.601 845 C HN 0.330 nan 8.230 nan 0.000 0.494 846 I N 1.782 122.281 120.570 -0.118 0.000 2.785 846 I HA 0.894 5.069 4.170 0.009 0.000 0.302 846 I C -0.109 176.060 176.117 0.087 0.000 1.069 846 I CA -0.258 60.986 61.300 -0.093 0.000 1.045 846 I CB 2.103 39.944 38.000 -0.265 0.000 1.236 846 I HN 1.407 nan 8.210 nan 0.000 0.429 847 A N 5.468 128.357 122.820 0.115 0.000 2.455 847 A HA 0.801 5.126 4.320 0.009 0.000 0.300 847 A C -1.925 175.659 177.584 0.000 0.000 1.040 847 A CA -0.483 51.602 52.037 0.080 0.000 0.697 847 A CB 0.766 19.718 19.000 -0.079 0.000 1.265 847 A HN 0.856 nan 8.150 nan 0.000 0.407 848 W N 1.000 122.101 121.300 -0.332 0.000 3.029 848 W HA 0.763 5.428 4.660 0.009 0.000 0.339 848 W C -3.247 173.076 176.519 -0.326 0.000 1.198 848 W CA -2.850 54.135 57.345 -0.600 0.000 1.148 848 W CB 0.309 29.526 29.460 -0.406 0.000 1.451 848 W HN 0.425 nan 8.180 nan 0.000 0.564 849 P HA -0.031 nan 4.420 nan 0.000 0.263 849 P C 0.126 177.218 177.300 -0.347 0.000 1.175 849 P CA 0.612 63.566 63.100 -0.244 0.000 0.761 849 P CB 0.709 32.360 31.700 -0.081 0.000 0.794 850 S N 2.057 117.456 115.700 -0.503 0.000 2.632 850 S HA 0.552 5.027 4.470 0.009 0.000 0.271 850 S C 1.319 175.659 174.600 -0.432 0.000 1.260 850 S CA 0.198 57.888 58.200 -0.850 0.000 1.010 850 S CB 0.716 63.251 63.200 -1.109 0.000 0.965 850 S HN 0.891 nan 8.310 nan 0.000 0.534 851 G N 0.696 109.301 108.800 -0.325 0.000 2.267 851 G HA2 -0.267 3.699 3.960 0.009 0.000 0.257 851 G HA3 -0.267 3.699 3.960 0.009 0.000 0.257 851 G C 0.345 175.346 174.900 0.169 0.000 0.998 851 G CA 0.723 45.812 45.100 -0.018 0.000 0.620 851 G HN 1.694 nan 8.290 nan 0.000 0.529 852 T N -1.701 112.988 114.554 0.224 0.000 2.948 852 T HA 0.723 5.078 4.350 0.009 0.000 0.285 852 T C -0.184 174.758 174.700 0.403 0.000 1.019 852 T CA -0.502 61.753 62.100 0.259 0.000 1.013 852 T CB 2.595 71.595 68.868 0.220 0.000 1.117 852 T HN 0.267 nan 8.240 nan 0.000 0.533 853 E N 0.267 120.647 120.200 0.300 0.000 2.250 853 E HA 0.425 4.781 4.350 0.009 0.000 0.269 853 E C -0.073 176.661 176.600 0.224 0.000 1.018 853 E CA -0.713 55.870 56.400 0.305 0.000 0.873 853 E CB 1.391 31.208 29.700 0.195 0.000 1.134 853 E HN 0.562 nan 8.360 nan 0.000 0.403 854 I N 0.401 120.966 120.570 -0.010 0.000 2.720 854 I HA 0.042 4.218 4.170 0.009 0.000 0.287 854 I C 1.038 177.129 176.117 -0.045 0.000 1.090 854 I CA -0.267 60.897 61.300 -0.227 0.000 1.384 854 I CB 0.452 38.060 38.000 -0.652 0.000 1.420 854 I HN 0.305 nan 8.210 nan 0.000 0.575 855 T N 2.431 117.001 114.554 0.026 0.000 2.916 855 T HA -0.017 4.339 4.350 0.009 0.000 0.303 855 T C 1.037 175.735 174.700 -0.003 0.000 1.025 855 T CA -0.286 61.837 62.100 0.039 0.000 1.142 855 T CB 0.250 69.161 68.868 0.071 0.000 0.947 855 T HN 0.634 nan 8.240 nan 0.000 0.544 856 D N 3.635 124.035 120.400 -0.000 0.000 2.315 856 D HA -0.111 4.534 4.640 0.009 0.000 0.211 856 D C 1.942 178.235 176.300 -0.012 0.000 0.977 856 D CA 0.700 54.691 54.000 -0.015 0.000 0.894 856 D CB 0.189 40.985 40.800 -0.006 0.000 0.910 856 D HN 0.415 nan 8.370 nan 0.000 0.490 857 L N 0.613 121.834 121.223 -0.003 0.000 1.997 857 L HA -0.205 4.141 4.340 0.009 0.000 0.216 857 L C 2.432 179.305 176.870 0.004 0.000 1.074 857 L CA 1.674 56.511 54.840 -0.006 0.000 0.763 857 L CB -0.443 41.609 42.059 -0.011 0.000 0.890 857 L HN 0.207 nan 8.230 nan 0.000 0.434 858 I N -6.271 114.313 120.570 0.024 0.000 4.323 858 I HA 0.102 4.277 4.170 0.009 0.000 0.328 858 I C 2.172 178.322 176.117 0.054 0.000 1.310 858 I CA 0.036 61.394 61.300 0.097 0.000 1.186 858 I CB -0.315 37.819 38.000 0.225 0.000 1.130 858 I HN 0.034 nan 8.210 nan 0.000 0.411 859 K N 2.153 122.524 120.400 -0.048 0.000 2.090 859 K HA -0.289 4.036 4.320 0.009 0.000 0.218 859 K C 1.487 178.005 176.600 -0.136 0.000 1.055 859 K CA 2.828 59.023 56.287 -0.152 0.000 0.941 859 K CB -0.219 32.194 32.500 -0.146 0.000 0.722 859 K HN 0.469 nan 8.250 nan 0.000 0.458 860 D N 0.324 120.687 120.400 -0.062 0.000 2.123 860 D HA -0.129 4.517 4.640 0.009 0.000 0.200 860 D C 1.660 178.005 176.300 0.075 0.000 0.976 860 D CA 0.958 54.934 54.000 -0.040 0.000 0.831 860 D CB -0.341 40.427 40.800 -0.054 0.000 0.974 860 D HN 0.327 nan 8.370 nan 0.000 0.469 861 D N 0.941 121.427 120.400 0.142 0.000 2.106 861 D HA -0.148 4.498 4.640 0.009 0.000 0.191 861 D C 2.233 178.842 176.300 0.515 0.000 0.997 861 D CA 0.894 55.090 54.000 0.326 0.000 0.834 861 D CB -0.273 40.628 40.800 0.170 0.000 0.956 861 D HN 0.074 nan 8.370 nan 0.000 0.448 862 V N 1.155 121.307 119.914 0.396 0.000 2.295 862 V HA -0.180 3.946 4.120 0.009 0.000 0.246 862 V C 2.449 178.621 176.094 0.130 0.000 1.049 862 V CA 1.236 63.698 62.300 0.270 0.000 1.024 862 V CB -0.460 31.338 31.823 -0.041 0.000 0.648 862 V HN 0.154 nan 8.190 nan 0.000 0.447 863 L N -0.150 121.063 121.223 -0.017 0.000 2.127 863 L HA -0.225 4.120 4.340 0.009 0.000 0.211 863 L C 2.647 179.576 176.870 0.097 0.000 1.089 863 L CA 2.268 57.066 54.840 -0.069 0.000 0.757 863 L CB -0.563 41.371 42.059 -0.210 0.000 0.899 863 L HN 0.580 nan 8.230 nan 0.000 0.434 864 H N -2.145 116.949 119.070 0.039 0.000 2.502 864 H HA -0.145 4.417 4.556 0.009 0.000 0.283 864 H C 1.021 176.271 175.328 -0.130 0.000 1.015 864 H CA 1.053 57.074 56.048 -0.044 0.000 1.298 864 H CB 0.235 29.957 29.762 -0.065 0.000 1.411 864 H HN 0.433 nan 8.280 nan 0.000 0.556 865 W N 0.598 121.921 121.300 0.038 0.000 3.008 865 W HA 0.269 4.934 4.660 0.009 0.000 0.355 865 W C 0.265 176.810 176.519 0.043 0.000 1.095 865 W CA -0.555 56.800 57.345 0.015 0.000 1.738 865 W CB 0.313 29.838 29.460 0.107 0.000 1.091 865 W HN -0.090 nan 8.180 nan 0.000 0.574 866 M N 1.676 121.383 119.600 0.178 0.000 2.255 866 M HA -0.114 4.371 4.480 0.009 0.000 0.356 866 M C 0.383 176.717 176.300 0.057 0.000 1.338 866 M CA 1.084 56.398 55.300 0.024 0.000 0.962 866 M CB 0.249 32.699 32.600 -0.251 0.000 1.877 866 M HN -0.155 nan 8.290 nan 0.000 0.463 867 D N 3.370 123.804 120.400 0.056 0.000 2.564 867 D HA 0.082 4.728 4.640 0.009 0.000 0.226 867 D C 0.338 176.716 176.300 0.129 0.000 1.149 867 D CA -0.048 54.032 54.000 0.133 0.000 0.994 867 D CB 0.129 41.019 40.800 0.150 0.000 1.029 867 D HN 0.442 nan 8.370 nan 0.000 0.517 868 Y N 0.756 121.154 120.300 0.163 0.000 2.241 868 Y HA -0.221 4.334 4.550 0.009 0.000 0.286 868 Y C 2.513 178.517 175.900 0.173 0.000 1.166 868 Y CA 1.284 59.543 58.100 0.265 0.000 1.203 868 Y CB -0.317 38.286 38.460 0.238 0.000 0.977 868 Y HN 0.277 nan 8.280 nan 0.000 0.529 869 T N -1.223 113.470 114.554 0.231 0.000 2.857 869 T HA -0.105 4.250 4.350 0.009 0.000 0.266 869 T C 2.095 176.831 174.700 0.061 0.000 1.048 869 T CA 1.321 63.482 62.100 0.102 0.000 1.139 869 T CB -0.618 68.302 68.868 0.087 0.000 0.874 869 T HN 0.114 nan 8.240 nan 0.000 0.455 870 V N 1.407 121.375 119.914 0.090 0.000 2.379 870 V HA -0.023 4.103 4.120 0.009 0.000 0.245 870 V C 2.451 178.584 176.094 0.066 0.000 1.044 870 V CA 1.057 63.399 62.300 0.070 0.000 1.036 870 V CB -0.651 31.225 31.823 0.088 0.000 0.664 870 V HN 0.386 nan 8.190 nan 0.000 0.453 871 L N -0.590 120.700 121.223 0.111 0.000 1.990 871 L HA -0.245 4.101 4.340 0.009 0.000 0.213 871 L C 2.478 179.400 176.870 0.088 0.000 1.072 871 L CA 1.952 56.889 54.840 0.161 0.000 0.755 871 L CB -0.335 41.892 42.059 0.281 0.000 0.889 871 L HN 0.358 nan 8.230 nan 0.000 0.432 872 L N -0.034 121.085 121.223 -0.173 0.000 2.083 872 L HA -0.228 4.117 4.340 0.009 0.000 0.209 872 L C 2.337 179.153 176.870 -0.091 0.000 1.083 872 L CA 1.904 56.438 54.840 -0.511 0.000 0.752 872 L CB -0.471 40.979 42.059 -1.014 0.000 0.899 872 L HN 0.268 nan 8.230 nan 0.000 0.433 873 E N 0.238 120.418 120.200 -0.034 0.000 2.047 873 E HA -0.256 4.100 4.350 0.009 0.000 0.191 873 E C 2.144 178.755 176.600 0.018 0.000 0.987 873 E CA 2.082 58.493 56.400 0.019 0.000 0.799 873 E CB -0.150 29.562 29.700 0.019 0.000 0.752 873 E HN 0.684 nan 8.360 nan 0.000 0.449 874 K N -0.808 119.601 120.400 0.015 0.000 2.128 874 K HA 0.012 4.338 4.320 0.009 0.000 0.202 874 K C 2.142 178.749 176.600 0.012 0.000 1.050 874 K CA 1.496 57.778 56.287 -0.008 0.000 0.966 874 K CB -0.443 32.038 32.500 -0.033 0.000 0.759 874 K HN 0.179 nan 8.250 nan 0.000 0.454 875 T N -2.420 112.181 114.554 0.078 0.000 3.014 875 T HA 0.020 4.376 4.350 0.009 0.000 0.263 875 T C 1.406 176.207 174.700 0.170 0.000 1.078 875 T CA 0.300 62.474 62.100 0.123 0.000 1.135 875 T CB -0.179 68.805 68.868 0.193 0.000 0.895 875 T HN 0.314 nan 8.240 nan 0.000 0.480 876 F N 0.207 120.161 119.950 0.006 0.000 2.537 876 F HA 0.491 5.024 4.527 0.009 0.000 0.275 876 F C 1.704 177.470 175.800 -0.055 0.000 0.947 876 F CA -0.491 57.515 58.000 0.010 0.000 1.238 876 F CB 0.155 39.209 39.000 0.089 0.000 1.071 876 F HN -0.047 nan 8.300 nan 0.000 0.749 877 I N 0.772 121.345 120.570 0.005 0.000 2.233 877 I HA -0.221 3.954 4.170 0.009 0.000 0.243 877 I C 2.256 178.216 176.117 -0.262 0.000 1.093 877 I CA 0.905 62.145 61.300 -0.100 0.000 1.380 877 I CB -0.353 37.728 38.000 0.135 0.000 1.067 877 I HN 0.021 nan 8.210 nan 0.000 0.413 878 K N 0.662 120.954 120.400 -0.180 0.000 2.009 878 K HA -0.166 4.160 4.320 0.009 0.000 0.210 878 K C -0.125 176.259 176.600 -0.361 0.000 1.049 878 K CA 1.822 57.985 56.287 -0.207 0.000 0.929 878 K CB -1.752 30.670 32.500 -0.131 0.000 0.714 878 K HN 0.236 nan 8.250 nan 0.000 0.440 879 P HA -0.168 nan 4.420 nan 0.000 0.215 879 P C 1.743 178.240 177.300 -1.338 0.000 1.157 879 P CA 1.070 63.726 63.100 -0.740 0.000 0.874 879 P CB -0.022 31.380 31.700 -0.496 0.000 0.790 880 L N -0.455 120.153 121.223 -1.026 0.000 2.017 880 L HA -0.197 4.149 4.340 0.009 0.000 0.208 880 L C 2.480 178.890 176.870 -0.767 0.000 1.073 880 L CA 1.772 56.057 54.840 -0.925 0.000 0.745 880 L CB -0.684 40.838 42.059 -0.895 0.000 0.894 880 L HN -0.008 nan 8.230 nan 0.000 0.432 881 E N 0.081 119.882 120.200 -0.666 0.000 2.118 881 E HA -0.204 4.151 4.350 0.009 0.000 0.195 881 E C 1.899 178.342 176.600 -0.262 0.000 0.992 881 E CA 1.323 57.517 56.400 -0.344 0.000 0.804 881 E CB -0.229 29.365 29.700 -0.175 0.000 0.741 881 E HN 0.615 nan 8.360 nan 0.000 0.458 882 G N 0.286 108.849 108.800 -0.394 0.000 2.459 882 G HA2 -0.254 3.712 3.960 0.009 0.000 0.217 882 G HA3 -0.254 3.712 3.960 0.009 0.000 0.217 882 G C 1.367 176.197 174.900 -0.117 0.000 1.183 882 G CA 0.963 45.900 45.100 -0.273 0.000 0.776 882 G HN 0.210 nan 8.290 nan 0.000 0.552 883 F N 1.600 121.482 119.950 -0.113 0.000 2.095 883 F HA -0.035 4.498 4.527 0.010 0.000 0.298 883 F C 3.055 178.638 175.800 -0.362 0.000 1.104 883 F CA 1.281 59.168 58.000 -0.189 0.000 1.232 883 F CB -1.512 37.370 39.000 -0.196 0.000 0.987 883 F HN 0.046 nan 8.300 nan 0.000 0.475 884 T N -0.667 113.825 114.554 -0.103 0.000 2.684 884 T HA -0.237 4.119 4.350 0.009 0.000 0.267 884 T C 2.317 176.973 174.700 -0.074 0.000 1.036 884 T CA 1.809 63.852 62.100 -0.094 0.000 1.148 884 T CB -0.693 68.196 68.868 0.035 0.000 0.863 884 T HN 0.345 nan 8.240 nan 0.000 0.436 885 S N 1.300 116.974 115.700 -0.044 0.000 2.359 885 S HA -0.129 4.346 4.470 0.009 0.000 0.224 885 S C 2.388 176.977 174.600 -0.017 0.000 1.035 885 S CA 1.519 59.705 58.200 -0.023 0.000 1.018 885 S CB -0.596 62.596 63.200 -0.013 0.000 0.876 885 S HN 0.518 nan 8.310 nan 0.000 0.448 886 A N 1.252 124.073 122.820 0.002 0.000 1.898 886 A HA 0.296 4.621 4.320 0.009 0.000 0.216 886 A C 2.451 180.034 177.584 -0.000 0.000 1.181 886 A CA 1.742 53.813 52.037 0.058 0.000 0.620 886 A CB -1.330 17.783 19.000 0.188 0.000 0.819 886 A HN 0.885 nan 8.150 nan 0.000 0.442 887 A N -1.120 121.607 122.820 -0.155 0.000 2.119 887 A HA 0.117 4.442 4.320 0.009 0.000 0.217 887 A C 1.043 178.563 177.584 -0.107 0.000 1.153 887 A CA 1.067 52.985 52.037 -0.198 0.000 0.692 887 A CB -0.455 18.284 19.000 -0.434 0.000 0.799 887 A HN 0.517 nan 8.150 nan 0.000 0.458 888 K N -1.951 118.402 120.400 -0.079 0.000 3.244 888 K HA -0.170 4.155 4.320 0.009 0.000 0.270 888 K C -0.886 175.679 176.600 -0.059 0.000 1.016 888 K CA 0.442 56.695 56.287 -0.056 0.000 0.754 888 K CB -1.776 30.695 32.500 -0.047 0.000 1.326 888 K HN 0.361 nan 8.250 nan 0.000 0.465 889 L N -0.629 120.557 121.223 -0.063 0.000 2.343 889 L HA 0.429 4.774 4.340 0.009 0.000 0.264 889 L C 1.256 178.098 176.870 -0.047 0.000 1.050 889 L CA -0.166 54.644 54.840 -0.051 0.000 0.956 889 L CB 0.888 42.914 42.059 -0.054 0.000 1.576 889 L HN 0.022 nan 8.230 nan 0.000 0.521 890 D N -2.219 118.145 120.400 -0.060 0.000 2.403 890 D HA 0.010 4.655 4.640 0.009 0.000 0.280 890 D C 0.680 176.762 176.300 -0.364 0.000 1.091 890 D CA 0.993 54.888 54.000 -0.175 0.000 0.884 890 D CB 0.686 41.379 40.800 -0.178 0.000 1.427 890 D HN 0.580 nan 8.370 nan 0.000 0.504 891 Y N 0.103 120.296 120.300 -0.178 0.000 4.879 891 Y HA -0.337 4.218 4.550 0.009 0.000 0.235 891 Y C 0.424 176.093 175.900 -0.385 0.000 0.988 891 Y CA 1.662 59.594 58.100 -0.280 0.000 1.960 891 Y CB -1.418 36.800 38.460 -0.403 0.000 1.534 891 Y HN 0.022 nan 8.280 nan 0.000 0.550 892 E N 1.106 120.952 120.200 -0.590 0.000 4.072 892 E HA 0.708 5.064 4.350 0.009 0.000 0.247 892 E C -0.264 176.222 176.600 -0.192 0.000 1.033 892 E CA 0.287 56.416 56.400 -0.451 0.000 1.019 892 E CB 0.581 29.901 29.700 -0.633 0.000 2.662 892 E HN 0.430 nan 8.360 nan 0.000 0.514 893 K N 1.565 121.859 120.400 -0.176 0.000 2.301 893 K HA 0.202 4.527 4.320 0.009 0.000 0.365 893 K C -0.742 175.811 176.600 -0.079 0.000 1.459 893 K CA -0.292 55.945 56.287 -0.082 0.000 1.166 893 K CB -0.397 32.089 32.500 -0.023 0.000 1.406 893 K HN 0.090 nan 8.250 nan 0.000 0.475 894 K N 0.337 120.692 120.400 -0.076 0.000 2.440 894 K HA 0.737 5.063 4.320 0.009 0.000 0.252 894 K C 0.932 177.507 176.600 -0.041 0.000 1.044 894 K CA -0.190 56.056 56.287 -0.069 0.000 0.962 894 K CB 1.021 33.475 32.500 -0.077 0.000 1.269 894 K HN 0.890 nan 8.250 nan 0.000 0.505 895 A N 1.675 124.464 122.820 -0.051 0.000 2.752 895 A HA -0.018 4.307 4.320 0.009 0.000 0.292 895 A C 1.285 178.826 177.584 -0.071 0.000 1.597 895 A CA 0.360 52.362 52.037 -0.057 0.000 1.241 895 A CB -0.954 18.007 19.000 -0.065 0.000 1.061 895 A HN 0.700 nan 8.150 nan 0.000 0.576 896 S N 2.896 118.571 115.700 -0.041 0.000 2.382 896 S HA -0.131 4.344 4.470 0.009 0.000 0.228 896 S C 1.235 175.683 174.600 -0.254 0.000 1.027 896 S CA 0.975 59.164 58.200 -0.018 0.000 0.991 896 S CB -0.462 62.834 63.200 0.161 0.000 0.823 896 S HN 1.096 nan 8.310 nan 0.000 0.469 897 L N -0.846 120.245 121.223 -0.221 0.000 4.668 897 L HA -0.209 4.136 4.340 0.009 0.000 0.439 897 L C 0.737 177.322 176.870 -0.474 0.000 1.120 897 L CA 0.972 55.621 54.840 -0.318 0.000 0.961 897 L CB -2.807 39.066 42.059 -0.310 0.000 1.918 897 L HN 0.424 nan 8.230 nan 0.000 0.926 898 F N 0.591 120.433 119.950 -0.180 0.000 2.664 898 F HA -0.014 4.519 4.527 0.010 0.000 0.296 898 F C 2.060 177.652 175.800 -0.348 0.000 1.125 898 F CA 0.668 58.517 58.000 -0.253 0.000 1.444 898 F CB -0.219 38.835 39.000 0.090 0.000 1.114 898 F HN 0.334 nan 8.300 nan 0.000 0.576 899 D N 1.054 121.420 120.400 -0.055 0.000 2.220 899 D HA -0.319 4.327 4.640 0.009 0.000 0.198 899 D C 1.862 178.099 176.300 -0.106 0.000 1.001 899 D CA 2.167 56.139 54.000 -0.047 0.000 0.875 899 D CB -1.114 39.657 40.800 -0.048 0.000 0.921 899 D HN 0.424 nan 8.370 nan 0.000 0.454 900 M N -0.275 119.160 119.600 -0.275 0.000 2.067 900 M HA -0.036 4.450 4.480 0.009 0.000 0.260 900 M C 0.886 177.119 176.300 -0.111 0.000 1.069 900 M CA 1.116 56.275 55.300 -0.235 0.000 1.117 900 M CB -1.161 31.254 32.600 -0.310 0.000 1.334 900 M HN 0.052 nan 8.290 nan 0.000 0.407 901 F N 1.379 121.387 119.950 0.096 0.000 2.752 901 F HA 0.589 5.122 4.527 0.009 0.000 0.332 901 F C -0.317 175.547 175.800 0.107 0.000 1.188 901 F CA -2.083 55.975 58.000 0.098 0.000 1.296 901 F CB -1.539 37.517 39.000 0.093 0.000 1.526 901 F HN 0.027 nan 8.300 nan 0.000 0.576 902 D N 0.654 121.207 120.400 0.256 0.000 2.348 902 D HA 0.460 5.105 4.640 0.009 0.000 0.249 902 D C -0.048 176.432 176.300 0.300 0.000 1.110 902 D CA -0.066 54.075 54.000 0.236 0.000 0.967 902 D CB 0.794 41.695 40.800 0.168 0.000 1.139 902 D HN 0.219 nan 8.370 nan 0.000 0.466 903 F N 0.000 119.995 119.950 0.075 0.000 2.286 903 F HA 0.000 4.533 4.527 0.009 0.000 0.279 903 F CA 0.000 58.031 58.000 0.052 0.000 1.383 903 F CB 0.000 39.026 39.000 0.043 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574