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 3l8b_1_B 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 KVXXXXXXXR 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 0.000 176.361 176.300 0.101 0.000 1.140 1 M CA 0.000 55.344 55.300 0.073 0.000 0.988 1 M CB 0.000 32.664 32.600 0.106 0.000 1.302 2 K N 1.833 122.291 120.400 0.097 0.000 2.401 2 K HA 0.247 4.483 4.320 -0.140 0.000 0.278 2 K C -0.413 176.384 176.600 0.328 0.000 1.018 2 K CA -0.112 56.245 56.287 0.117 0.000 0.981 2 K CB 0.563 33.075 32.500 0.020 0.000 0.933 2 K HN 0.510 nan 8.250 nan 0.000 0.477 3 E N 2.302 122.733 120.200 0.386 0.000 2.390 3 E HA 0.201 4.467 4.350 -0.140 0.000 0.261 3 E C -0.491 176.586 176.600 0.795 0.000 1.076 3 E CA -0.100 56.600 56.400 0.501 0.000 0.905 3 E CB 0.448 30.404 29.700 0.426 0.000 0.984 3 E HN 0.358 nan 8.360 nan 0.000 0.427 4 F N -0.867 119.346 119.950 0.437 0.000 2.641 4 F HA 0.367 4.810 4.527 -0.140 0.000 0.308 4 F C -0.902 174.969 175.800 0.118 0.000 1.105 4 F CA -1.636 56.437 58.000 0.121 0.000 0.964 4 F CB 0.285 39.163 39.000 -0.203 0.000 1.294 4 F HN 0.397 nan 8.300 nan 0.000 0.442 5 Y N 1.268 121.500 120.300 -0.114 0.000 2.299 5 Y HA 0.687 5.152 4.550 -0.141 0.000 0.335 5 Y C -0.099 175.965 175.900 0.273 0.000 1.287 5 Y CA -1.032 57.144 58.100 0.126 0.000 1.424 5 Y CB 0.496 38.980 38.460 0.040 0.000 1.326 5 Y HN 0.724 nan 8.280 nan 0.000 0.567 6 L N 0.448 121.868 121.223 0.328 0.000 2.588 6 L HA 0.253 4.509 4.340 -0.140 0.000 0.194 6 L C 0.390 177.441 176.870 0.301 0.000 1.070 6 L CA 0.751 55.727 54.840 0.226 0.000 0.852 6 L CB 0.435 42.576 42.059 0.137 0.000 1.199 6 L HN 0.937 nan 8.230 nan 0.000 0.486 7 T N -2.714 112.056 114.554 0.359 0.000 2.868 7 T HA 0.654 4.920 4.350 -0.140 0.000 0.306 7 T C -1.210 173.666 174.700 0.294 0.000 1.224 7 T CA -0.676 61.606 62.100 0.304 0.000 1.012 7 T CB 2.589 71.592 68.868 0.226 0.000 1.221 7 T HN -0.162 nan 8.240 nan 0.000 0.499 8 V N 0.786 120.819 119.914 0.198 0.000 2.891 8 V HA 0.717 4.754 4.120 -0.140 0.000 0.304 8 V C -1.891 174.268 176.094 0.108 0.000 1.171 8 V CA -0.439 61.923 62.300 0.104 0.000 0.943 8 V CB 1.919 33.734 31.823 -0.013 0.000 1.037 8 V HN 1.094 nan 8.190 nan 0.000 0.427 9 E N 4.136 124.399 120.200 0.106 0.000 2.367 9 E HA 0.392 4.658 4.350 -0.140 0.000 0.273 9 E C -1.531 175.129 176.600 0.099 0.000 0.903 9 E CA -0.649 55.860 56.400 0.180 0.000 0.764 9 E CB 2.626 32.534 29.700 0.346 0.000 1.252 9 E HN 0.735 nan 8.360 nan 0.000 0.446 10 Q N 2.368 122.245 119.800 0.129 0.000 2.368 10 Q HA 0.364 4.620 4.340 -0.140 0.000 0.263 10 Q C -1.119 174.931 176.000 0.083 0.000 1.009 10 Q CA -0.542 55.311 55.803 0.084 0.000 0.818 10 Q CB 0.692 29.501 28.738 0.118 0.000 1.239 10 Q HN 0.347 nan 8.270 nan 0.000 0.464 11 I N 4.677 125.293 120.570 0.076 0.000 2.390 11 I HA 0.331 4.417 4.170 -0.140 0.000 0.283 11 I C 1.084 177.218 176.117 0.029 0.000 1.016 11 I CA 0.371 61.680 61.300 0.015 0.000 1.151 11 I CB 0.181 38.226 38.000 0.075 0.000 1.293 11 I HN 0.974 nan 8.210 nan 0.000 0.458 12 G N 7.255 116.059 108.800 0.007 0.000 2.596 12 G HA2 -0.315 3.562 3.960 -0.140 0.000 0.304 12 G HA3 -0.315 3.562 3.960 -0.140 0.000 0.304 12 G C 0.510 175.411 174.900 0.002 0.000 1.189 12 G CA 0.479 45.583 45.100 0.006 0.000 0.986 12 G HN 0.470 nan 8.290 nan 0.000 0.548 13 D N 1.478 121.865 120.400 -0.020 0.000 2.339 13 D HA 0.349 4.905 4.640 -0.140 0.000 0.217 13 D C 1.184 177.442 176.300 -0.070 0.000 1.050 13 D CA 1.076 55.049 54.000 -0.045 0.000 0.856 13 D CB 0.216 40.985 40.800 -0.050 0.000 0.922 13 D HN 0.685 nan 8.370 nan 0.000 0.518 14 S N -0.465 115.180 115.700 -0.092 0.000 2.568 14 S HA 0.631 5.018 4.470 -0.140 0.000 0.302 14 S C -0.237 174.205 174.600 -0.265 0.000 1.082 14 S CA -0.880 57.187 58.200 -0.221 0.000 1.009 14 S CB 2.165 65.139 63.200 -0.377 0.000 1.069 14 S HN -0.036 nan 8.310 nan 0.000 0.500 15 I N 2.038 122.375 120.570 -0.390 0.000 2.362 15 I HA 0.373 4.459 4.170 -0.140 0.000 0.289 15 I C -1.316 174.450 176.117 -0.585 0.000 0.994 15 I CA -0.624 60.421 61.300 -0.426 0.000 1.158 15 I CB 1.030 38.660 38.000 -0.617 0.000 1.315 15 I HN 0.588 nan 8.210 nan 0.000 0.451 16 F N 5.458 125.216 119.950 -0.319 0.000 2.361 16 F HA 0.356 4.799 4.527 -0.140 0.000 0.364 16 F C 0.483 176.153 175.800 -0.217 0.000 1.120 16 F CA -0.387 57.380 58.000 -0.388 0.000 1.102 16 F CB 0.949 39.442 39.000 -0.845 0.000 1.183 16 F HN 0.403 nan 8.300 nan 0.000 0.476 17 E N 4.340 124.575 120.200 0.058 0.000 2.199 17 E HA 0.528 4.794 4.350 -0.140 0.000 0.269 17 E C -0.915 175.930 176.600 0.409 0.000 0.899 17 E CA -0.900 55.624 56.400 0.207 0.000 0.772 17 E CB 1.274 31.062 29.700 0.148 0.000 1.155 17 E HN 0.584 nan 8.360 nan 0.000 0.408 18 R N 2.941 123.697 120.500 0.426 0.000 2.494 18 R HA 0.424 4.680 4.340 -0.140 0.000 0.305 18 R C -1.194 175.361 176.300 0.425 0.000 0.959 18 R CA -0.604 55.714 56.100 0.363 0.000 0.864 18 R CB 1.186 31.623 30.300 0.227 0.000 1.159 18 R HN 0.476 nan 8.270 nan 0.000 0.446 19 Y N -0.323 120.041 120.300 0.105 0.000 2.744 19 Y HA 0.565 5.031 4.550 -0.140 0.000 0.330 19 Y C -1.331 174.499 175.900 -0.115 0.000 1.263 19 Y CA -1.576 56.545 58.100 0.036 0.000 1.065 19 Y CB 1.030 39.603 38.460 0.189 0.000 1.306 19 Y HN 0.186 nan 8.280 nan 0.000 0.459 20 I N 3.257 123.666 120.570 -0.269 0.000 2.339 20 I HA 0.228 4.314 4.170 -0.140 0.000 0.290 20 I C -0.606 175.448 176.117 -0.105 0.000 0.994 20 I CA -0.546 60.511 61.300 -0.405 0.000 1.191 20 I CB 0.950 38.450 38.000 -0.833 0.000 1.343 20 I HN 0.853 nan 8.210 nan 0.000 0.458 21 D N 3.907 124.258 120.400 -0.082 0.000 2.433 21 D HA 0.182 4.738 4.640 -0.140 0.000 0.255 21 D C 1.005 177.362 176.300 0.096 0.000 1.226 21 D CA -0.517 53.548 54.000 0.108 0.000 1.015 21 D CB 0.502 41.349 40.800 0.077 0.000 1.091 21 D HN 0.326 nan 8.370 nan 0.000 0.527 22 S N -0.570 115.200 115.700 0.118 0.000 2.392 22 S HA -0.191 4.196 4.470 -0.140 0.000 0.232 22 S C 1.251 175.889 174.600 0.062 0.000 1.041 22 S CA 1.204 59.460 58.200 0.092 0.000 1.026 22 S CB -0.561 62.683 63.200 0.074 0.000 0.845 22 S HN 0.506 nan 8.310 nan 0.000 0.465 23 N N 0.711 119.436 118.700 0.042 0.000 2.449 23 N HA 0.119 4.775 4.740 -0.140 0.000 0.191 23 N C 1.181 176.698 175.510 0.012 0.000 1.161 23 N CA 0.764 53.828 53.050 0.023 0.000 0.863 23 N CB 0.200 38.694 38.487 0.012 0.000 0.980 23 N HN 0.550 nan 8.380 nan 0.000 0.458 24 G N 1.385 110.195 108.800 0.016 0.000 2.153 24 G HA2 -0.282 3.594 3.960 -0.140 0.000 0.252 24 G HA3 -0.282 3.594 3.960 -0.140 0.000 0.252 24 G C -0.056 174.816 174.900 -0.046 0.000 0.994 24 G CA -0.096 45.006 45.100 0.002 0.000 0.698 24 G HN 0.218 nan 8.290 nan 0.000 0.521 25 R N 0.463 120.920 120.500 -0.072 0.000 2.404 25 R HA 0.478 4.734 4.340 -0.140 0.000 0.291 25 R C 0.286 176.475 176.300 -0.184 0.000 1.025 25 R CA -0.793 55.245 56.100 -0.103 0.000 0.991 25 R CB 1.023 31.272 30.300 -0.085 0.000 1.053 25 R HN 0.571 nan 8.270 nan 0.000 0.479 26 E N 2.628 122.719 120.200 -0.182 0.000 2.338 26 E HA 0.101 4.367 4.350 -0.140 0.000 0.272 26 E C -0.552 175.870 176.600 -0.297 0.000 1.029 26 E CA -0.309 55.948 56.400 -0.239 0.000 0.872 26 E CB 0.620 30.222 29.700 -0.163 0.000 1.015 26 E HN 0.227 nan 8.360 nan 0.000 0.417 27 R N 2.419 122.624 120.500 -0.492 0.000 2.774 27 R HA 0.479 4.736 4.340 -0.140 0.000 0.272 27 R C -1.084 175.038 176.300 -0.296 0.000 1.000 27 R CA -0.787 55.019 56.100 -0.491 0.000 0.906 27 R CB 1.998 31.825 30.300 -0.787 0.000 1.227 27 R HN 0.543 nan 8.270 nan 0.000 0.468 28 T N 1.951 116.507 114.554 0.004 0.000 2.893 28 T HA 0.709 4.975 4.350 -0.140 0.000 0.291 28 T C -0.592 174.283 174.700 0.292 0.000 1.028 28 T CA -0.962 61.275 62.100 0.229 0.000 0.995 28 T CB 2.170 71.170 68.868 0.220 0.000 1.051 28 T HN 0.647 nan 8.240 nan 0.000 0.470 29 R N 0.788 121.477 120.500 0.314 0.000 2.663 29 R HA 0.577 4.834 4.340 -0.140 0.000 0.267 29 R C -1.702 174.610 176.300 0.020 0.000 1.038 29 R CA -1.034 55.177 56.100 0.185 0.000 0.886 29 R CB 1.824 32.247 30.300 0.205 0.000 1.249 29 R HN 0.631 nan 8.270 nan 0.000 0.463 30 E N 2.390 122.520 120.200 -0.118 0.000 2.158 30 E HA 0.448 4.715 4.350 -0.140 0.000 0.271 30 E C -1.366 175.054 176.600 -0.300 0.000 0.911 30 E CA -0.923 55.197 56.400 -0.467 0.000 0.767 30 E CB 2.056 31.410 29.700 -0.576 0.000 1.120 30 E HN 0.413 nan 8.360 nan 0.000 0.405 31 V N 4.129 123.844 119.914 -0.332 0.000 2.588 31 V HA 0.181 4.217 4.120 -0.140 0.000 0.304 31 V C -0.270 175.749 176.094 -0.124 0.000 1.042 31 V CA -0.839 61.376 62.300 -0.142 0.000 0.877 31 V CB 1.649 33.479 31.823 0.012 0.000 0.996 31 V HN 0.806 nan 8.190 nan 0.000 0.425 32 E N 3.787 123.950 120.200 -0.063 0.000 1.892 32 E HA 0.133 4.400 4.350 -0.140 0.000 0.271 32 E C -0.735 175.883 176.600 0.030 0.000 1.146 32 E CA -0.538 55.834 56.400 -0.047 0.000 1.096 32 E CB 0.104 29.769 29.700 -0.059 0.000 1.155 32 E HN 0.597 nan 8.360 nan 0.000 0.458 33 Y N 3.302 123.558 120.300 -0.073 0.000 2.721 33 Y HA -0.039 4.428 4.550 -0.139 0.000 0.329 33 Y C -0.394 175.464 175.900 -0.070 0.000 1.211 33 Y CA 0.187 58.278 58.100 -0.014 0.000 1.512 33 Y CB 0.494 38.983 38.460 0.048 0.000 1.249 33 Y HN 0.234 nan 8.280 nan 0.000 0.549 34 K N 9.252 129.327 120.400 -0.542 0.000 2.300 34 K HA 0.278 4.514 4.320 -0.140 0.000 0.264 34 K C -2.538 173.557 176.600 -0.842 0.000 1.083 34 K CA -1.775 54.202 56.287 -0.517 0.000 0.958 34 K CB 0.707 33.037 32.500 -0.283 0.000 1.318 34 K HN 0.473 nan 8.250 nan 0.000 0.448 35 P HA 0.152 nan 4.420 nan 0.000 0.276 35 P C -0.590 176.589 177.300 -0.201 0.000 1.252 35 P CA -0.486 62.262 63.100 -0.585 0.000 0.802 35 P CB 1.307 32.669 31.700 -0.563 0.000 1.035 36 S N 0.105 115.761 115.700 -0.074 0.000 2.542 36 S HA 0.690 5.076 4.470 -0.140 0.000 0.293 36 S C -0.248 174.300 174.600 -0.085 0.000 1.089 36 S CA -0.582 57.520 58.200 -0.164 0.000 0.961 36 S CB 0.782 63.782 63.200 -0.333 0.000 1.062 36 S HN 0.327 nan 8.310 nan 0.000 0.483 37 L N 1.364 122.435 121.223 -0.254 0.000 2.322 37 L HA 0.739 4.996 4.340 -0.140 0.000 0.252 37 L C -1.642 174.903 176.870 -0.542 0.000 1.055 37 L CA -0.836 53.968 54.840 -0.060 0.000 0.849 37 L CB 1.539 43.755 42.059 0.262 0.000 1.446 37 L HN 0.557 nan 8.230 nan 0.000 0.416 38 F N -0.079 119.893 119.950 0.036 0.000 2.613 38 F HA 0.823 5.266 4.527 -0.140 0.000 0.314 38 F C -0.034 175.833 175.800 0.111 0.000 1.075 38 F CA -0.759 57.223 58.000 -0.030 0.000 0.945 38 F CB 2.046 40.997 39.000 -0.082 0.000 1.310 38 F HN 0.364 nan 8.300 nan 0.000 0.467 39 A N 0.269 123.233 122.820 0.240 0.000 2.475 39 A HA 0.643 4.879 4.320 -0.140 0.000 0.301 39 A C -1.228 176.421 177.584 0.107 0.000 1.059 39 A CA -0.730 51.427 52.037 0.200 0.000 0.710 39 A CB 0.833 20.035 19.000 0.338 0.000 1.288 39 A HN 0.750 nan 8.150 nan 0.000 0.408 40 H N -0.128 119.037 119.070 0.159 0.000 2.852 40 H HA 0.339 4.811 4.556 -0.140 0.000 0.362 40 H C 0.612 175.989 175.328 0.083 0.000 1.122 40 H CA 0.985 57.096 56.048 0.104 0.000 1.419 40 H CB 0.730 30.540 29.762 0.081 0.000 1.401 40 H HN 0.987 nan 8.280 nan 0.000 0.609 41 C N 2.089 121.504 119.300 0.191 0.000 3.154 41 C HA 0.617 4.993 4.460 -0.140 0.000 0.312 41 C C -2.484 172.552 174.990 0.078 0.000 1.349 41 C CA -2.029 57.055 59.018 0.109 0.000 1.518 41 C CB 1.617 29.401 27.740 0.073 0.000 1.934 41 C HN 0.576 nan 8.230 nan 0.000 0.462 42 P HA 0.207 nan 4.420 nan 0.000 0.275 42 P C 0.633 177.958 177.300 0.041 0.000 1.228 42 P CA 0.414 63.540 63.100 0.043 0.000 0.786 42 P CB 0.712 32.433 31.700 0.035 0.000 0.927 43 E N 1.332 121.560 120.200 0.046 0.000 2.070 43 E HA -0.172 4.094 4.350 -0.140 0.000 0.197 43 E C 1.947 178.579 176.600 0.053 0.000 1.004 43 E CA 2.058 58.494 56.400 0.060 0.000 0.805 43 E CB -0.750 28.988 29.700 0.064 0.000 0.744 43 E HN 0.630 nan 8.360 nan 0.000 0.451 44 S N 0.632 116.356 115.700 0.041 0.000 2.423 44 S HA -0.227 4.159 4.470 -0.140 0.000 0.238 44 S C 1.082 175.701 174.600 0.032 0.000 1.028 44 S CA 0.828 59.048 58.200 0.034 0.000 1.000 44 S CB -0.362 62.853 63.200 0.027 0.000 0.797 44 S HN 0.226 nan 8.310 nan 0.000 0.487 45 Q N 1.789 121.607 119.800 0.030 0.000 2.323 45 Q HA 0.573 4.829 4.340 -0.140 0.000 0.257 45 Q C -0.123 175.888 176.000 0.018 0.000 1.022 45 Q CA -0.295 55.520 55.803 0.021 0.000 0.919 45 Q CB 1.078 29.827 28.738 0.018 0.000 1.220 45 Q HN 0.565 nan 8.270 nan 0.000 0.427 46 A N 3.230 126.063 122.820 0.021 0.000 2.511 46 A HA 0.343 4.579 4.320 -0.140 0.000 0.242 46 A C 0.206 177.788 177.584 -0.002 0.000 1.069 46 A CA 0.458 52.510 52.037 0.025 0.000 0.763 46 A CB 0.689 19.703 19.000 0.023 0.000 1.001 46 A HN 0.637 nan 8.150 nan 0.000 0.498 47 T N 0.175 114.717 114.554 -0.019 0.000 2.827 47 T HA 0.416 4.682 4.350 -0.140 0.000 0.328 47 T C 0.324 174.960 174.700 -0.107 0.000 1.598 47 T CA -0.014 62.032 62.100 -0.090 0.000 1.043 47 T CB 0.955 69.751 68.868 -0.119 0.000 1.447 47 T HN 0.811 nan 8.240 nan 0.000 0.491 48 K N 1.219 121.463 120.400 -0.259 0.000 2.358 48 K HA 0.231 4.467 4.320 -0.140 0.000 0.197 48 K C -0.607 175.905 176.600 -0.147 0.000 1.025 48 K CA -0.170 56.017 56.287 -0.166 0.000 1.104 48 K CB 0.141 32.455 32.500 -0.309 0.000 0.855 48 K HN 0.524 nan 8.250 nan 0.000 0.531 49 Y N 0.831 121.102 120.300 -0.048 0.000 2.326 49 Y HA 0.433 4.899 4.550 -0.140 0.000 0.337 49 Y C -0.518 175.147 175.900 -0.392 0.000 1.023 49 Y CA -1.304 56.749 58.100 -0.078 0.000 1.143 49 Y CB 0.749 39.193 38.460 -0.027 0.000 1.183 49 Y HN -0.175 nan 8.280 nan 0.000 0.485 50 F N 1.651 121.691 119.950 0.150 0.000 2.578 50 F HA 0.277 4.720 4.527 -0.140 0.000 0.311 50 F C -0.155 175.698 175.800 0.089 0.000 1.094 50 F CA -1.500 56.572 58.000 0.120 0.000 0.923 50 F CB 1.448 40.500 39.000 0.085 0.000 1.230 50 F HN 0.509 nan 8.300 nan 0.000 0.450 51 D N 1.402 121.973 120.400 0.285 0.000 2.414 51 D HA 0.101 4.657 4.640 -0.140 0.000 0.259 51 D C 1.344 177.761 176.300 0.195 0.000 1.269 51 D CA -0.362 53.776 54.000 0.229 0.000 1.028 51 D CB 0.402 41.408 40.800 0.343 0.000 1.093 51 D HN 0.623 nan 8.370 nan 0.000 0.545 52 I N -3.232 117.389 120.570 0.084 0.000 2.916 52 I HA -0.141 3.946 4.170 -0.140 0.000 0.267 52 I C 0.773 176.768 176.117 -0.203 0.000 1.263 52 I CA 0.745 61.992 61.300 -0.090 0.000 1.471 52 I CB -0.587 37.300 38.000 -0.188 0.000 1.089 52 I HN 0.182 nan 8.210 nan 0.000 0.468 53 Y N 2.187 122.558 120.300 0.118 0.000 2.466 53 Y HA 0.389 4.855 4.550 -0.140 0.000 0.272 53 Y C 1.919 177.865 175.900 0.077 0.000 1.169 53 Y CA 0.365 58.516 58.100 0.085 0.000 1.285 53 Y CB 0.176 38.685 38.460 0.081 0.000 1.078 53 Y HN 0.390 nan 8.280 nan 0.000 0.523 54 G N 0.162 109.094 108.800 0.220 0.000 2.132 54 G HA2 -0.228 3.648 3.960 -0.140 0.000 0.228 54 G HA3 -0.228 3.648 3.960 -0.140 0.000 0.228 54 G C -0.140 174.974 174.900 0.356 0.000 1.000 54 G CA -0.429 44.793 45.100 0.203 0.000 0.693 54 G HN 0.056 nan 8.290 nan 0.000 0.515 55 K N 1.151 121.775 120.400 0.373 0.000 2.183 55 K HA 0.450 4.686 4.320 -0.140 0.000 0.274 55 K C -2.229 174.542 176.600 0.285 0.000 1.009 55 K CA -2.335 54.133 56.287 0.303 0.000 0.888 55 K CB 1.977 34.561 32.500 0.140 0.000 1.078 55 K HN 0.181 nan 8.250 nan 0.000 0.459 56 P HA 0.042 nan 4.420 nan 0.000 0.265 56 P C -0.490 176.786 177.300 -0.040 0.000 1.193 56 P CA -0.160 62.764 63.100 -0.294 0.000 0.765 56 P CB 0.503 32.084 31.700 -0.199 0.000 0.823 57 C N 1.913 121.162 119.300 -0.085 0.000 2.707 57 C HA 0.603 4.979 4.460 -0.140 0.000 0.313 57 C C 0.559 175.653 174.990 0.172 0.000 1.209 57 C CA -0.201 58.881 59.018 0.106 0.000 1.635 57 C CB 1.987 29.802 27.740 0.125 0.000 2.206 57 C HN 0.553 nan 8.230 nan 0.000 0.485 58 T N 1.364 116.022 114.554 0.173 0.000 2.824 58 T HA 0.432 4.698 4.350 -0.140 0.000 0.280 58 T C -0.309 174.407 174.700 0.027 0.000 0.995 58 T CA -0.394 61.780 62.100 0.123 0.000 1.009 58 T CB 0.423 69.314 68.868 0.040 0.000 0.955 58 T HN 0.738 nan 8.240 nan 0.000 0.452 59 R N 3.661 124.100 120.500 -0.101 0.000 2.308 59 R HA 0.318 4.575 4.340 -0.140 0.000 0.305 59 R C -0.612 175.333 176.300 -0.591 0.000 1.053 59 R CA -0.589 55.142 56.100 -0.615 0.000 0.957 59 R CB 0.308 30.288 30.300 -0.533 0.000 1.022 59 R HN 0.408 nan 8.270 nan 0.000 0.461 60 K N 6.022 125.933 120.400 -0.816 0.000 2.389 60 K HA 0.226 4.463 4.320 -0.140 0.000 0.261 60 K C -0.544 175.498 176.600 -0.929 0.000 1.014 60 K CA -0.567 55.180 56.287 -0.899 0.000 0.920 60 K CB 1.458 33.262 32.500 -1.159 0.000 1.149 60 K HN 0.535 nan 8.250 nan 0.000 0.444 61 L N 4.514 125.267 121.223 -0.783 0.000 2.276 61 L HA 0.450 4.706 4.340 -0.140 0.000 0.286 61 L C -1.071 175.364 176.870 -0.724 0.000 1.061 61 L CA -0.435 54.057 54.840 -0.581 0.000 0.807 61 L CB 0.200 42.033 42.059 -0.376 0.000 1.177 61 L HN 0.390 nan 8.230 nan 0.000 0.429 62 F N 2.646 122.389 119.950 -0.345 0.000 2.458 62 F HA 0.431 4.874 4.527 -0.139 0.000 0.330 62 F C 1.272 176.914 175.800 -0.263 0.000 1.082 62 F CA -0.329 57.492 58.000 -0.298 0.000 0.995 62 F CB 1.675 40.491 39.000 -0.305 0.000 1.170 62 F HN 0.638 nan 8.300 nan 0.000 0.478 63 A N 2.191 124.996 122.820 -0.025 0.000 1.883 63 A HA -0.110 4.126 4.320 -0.140 0.000 0.217 63 A C 0.478 178.011 177.584 -0.085 0.000 1.186 63 A CA 2.149 54.145 52.037 -0.067 0.000 0.624 63 A CB -0.893 18.080 19.000 -0.045 0.000 0.822 63 A HN 0.883 nan 8.150 nan 0.000 0.444 64 N N -4.294 114.360 118.700 -0.078 0.000 2.972 64 N HA 0.476 5.132 4.740 -0.140 0.000 0.262 64 N C -0.001 175.367 175.510 -0.237 0.000 1.478 64 N CA -0.526 52.442 53.050 -0.138 0.000 0.841 64 N CB 0.398 38.829 38.487 -0.093 0.000 1.512 64 N HN -0.024 nan 8.380 nan 0.000 0.548 65 M N -0.885 118.537 119.600 -0.297 0.000 2.319 65 M HA 0.034 4.430 4.480 -0.140 0.000 0.265 65 M C 1.959 178.094 176.300 -0.275 0.000 1.068 65 M CA 1.094 56.088 55.300 -0.511 0.000 1.118 65 M CB -0.248 32.108 32.600 -0.405 0.000 1.395 65 M HN 0.646 nan 8.290 nan 0.000 0.435 66 R N 1.343 121.764 120.500 -0.132 0.000 2.080 66 R HA -0.172 4.085 4.340 -0.140 0.000 0.236 66 R C 1.409 177.662 176.300 -0.080 0.000 1.137 66 R CA 2.209 58.274 56.100 -0.058 0.000 0.943 66 R CB -0.650 29.630 30.300 -0.034 0.000 0.846 66 R HN 0.229 nan 8.270 nan 0.000 0.431 67 D N 0.061 120.405 120.400 -0.093 0.000 2.149 67 D HA -0.146 4.411 4.640 -0.140 0.000 0.198 67 D C 1.710 177.828 176.300 -0.304 0.000 0.990 67 D CA 1.737 55.704 54.000 -0.055 0.000 0.839 67 D CB -0.456 40.404 40.800 0.099 0.000 0.948 67 D HN 0.438 nan 8.370 nan 0.000 0.460 68 A N 0.464 122.878 122.820 -0.677 0.000 1.858 68 A HA -0.164 4.072 4.320 -0.140 0.000 0.216 68 A C 2.449 179.854 177.584 -0.298 0.000 1.190 68 A CA 1.969 53.315 52.037 -1.152 0.000 0.617 68 A CB -0.694 17.754 19.000 -0.920 0.000 0.827 68 A HN 0.176 nan 8.150 nan 0.000 0.443 69 S N -0.225 115.458 115.700 -0.028 0.000 2.359 69 S HA -0.190 4.196 4.470 -0.140 0.000 0.224 69 S C 2.161 176.772 174.600 0.018 0.000 1.035 69 S CA 1.465 59.715 58.200 0.084 0.000 1.018 69 S CB -0.351 62.923 63.200 0.123 0.000 0.876 69 S HN 0.582 nan 8.310 nan 0.000 0.448 70 Q N -0.201 119.601 119.800 0.003 0.000 2.096 70 Q HA -0.138 4.118 4.340 -0.140 0.000 0.204 70 Q C 1.808 177.835 176.000 0.045 0.000 0.982 70 Q CA 1.284 57.099 55.803 0.021 0.000 0.850 70 Q CB -0.571 28.190 28.738 0.038 0.000 0.901 70 Q HN 0.762 nan 8.270 nan 0.000 0.422 71 W N 1.340 122.577 121.300 -0.106 0.000 2.358 71 W HA -0.126 4.450 4.660 -0.140 0.000 0.303 71 W C 1.905 178.409 176.519 -0.025 0.000 1.208 71 W CA 1.137 58.464 57.345 -0.031 0.000 1.274 71 W CB -0.418 29.043 29.460 0.001 0.000 1.138 71 W HN 0.045 nan 8.180 nan 0.000 0.515 72 I N 0.616 121.148 120.570 -0.065 0.000 2.208 72 I HA -0.368 3.718 4.170 -0.140 0.000 0.245 72 I C 2.541 178.503 176.117 -0.257 0.000 1.097 72 I CA 1.707 62.881 61.300 -0.209 0.000 1.363 72 I CB -0.622 37.357 38.000 -0.035 0.000 1.051 72 I HN -0.024 nan 8.210 nan 0.000 0.413 73 K N 0.531 120.836 120.400 -0.158 0.000 2.057 73 K HA -0.144 4.093 4.320 -0.140 0.000 0.207 73 K C 2.308 178.808 176.600 -0.167 0.000 1.049 73 K CA 1.246 57.456 56.287 -0.130 0.000 0.931 73 K CB -0.016 32.442 32.500 -0.071 0.000 0.714 73 K HN 0.229 nan 8.250 nan 0.000 0.440 74 R N -0.154 120.226 120.500 -0.199 0.000 2.096 74 R HA -0.057 4.199 4.340 -0.140 0.000 0.235 74 R C 2.265 178.402 176.300 -0.272 0.000 1.127 74 R CA 1.136 57.120 56.100 -0.193 0.000 0.968 74 R CB -0.142 30.066 30.300 -0.153 0.000 0.861 74 R HN 0.207 nan 8.270 nan 0.000 0.440 75 M N 0.655 119.974 119.600 -0.469 0.000 2.213 75 M HA -0.135 4.261 4.480 -0.140 0.000 0.263 75 M C 1.752 177.893 176.300 -0.266 0.000 1.062 75 M CA 1.617 56.639 55.300 -0.463 0.000 1.105 75 M CB -0.611 31.528 32.600 -0.768 0.000 1.385 75 M HN 0.182 nan 8.290 nan 0.000 0.417 76 E N 0.011 120.074 120.200 -0.228 0.000 2.072 76 E HA -0.176 4.090 4.350 -0.140 0.000 0.191 76 E C 1.619 178.150 176.600 -0.116 0.000 0.985 76 E CA 0.916 57.227 56.400 -0.149 0.000 0.801 76 E CB -0.059 29.565 29.700 -0.127 0.000 0.750 76 E HN 0.461 nan 8.360 nan 0.000 0.452 77 D N 0.997 121.328 120.400 -0.115 0.000 2.104 77 D HA -0.145 4.411 4.640 -0.140 0.000 0.194 77 D C 2.004 178.259 176.300 -0.076 0.000 0.994 77 D CA 1.001 54.952 54.000 -0.083 0.000 0.830 77 D CB -0.148 40.608 40.800 -0.074 0.000 0.959 77 D HN 0.195 nan 8.370 nan 0.000 0.452 78 I N -0.173 120.342 120.570 -0.091 0.000 2.546 78 I HA -0.058 4.028 4.170 -0.140 0.000 0.255 78 I C 1.371 177.450 176.117 -0.062 0.000 1.163 78 I CA 0.872 62.130 61.300 -0.070 0.000 1.457 78 I CB -0.156 37.800 38.000 -0.074 0.000 1.092 78 I HN 0.101 nan 8.210 nan 0.000 0.434 79 G N 1.779 110.532 108.800 -0.079 0.000 2.164 79 G HA2 -0.197 3.679 3.960 -0.140 0.000 0.212 79 G HA3 -0.197 3.679 3.960 -0.140 0.000 0.212 79 G C -0.218 174.651 174.900 -0.052 0.000 1.031 79 G CA -0.416 44.646 45.100 -0.063 0.000 0.730 79 G HN 0.233 nan 8.290 nan 0.000 0.501 80 L N -0.306 120.875 121.223 -0.071 0.000 2.354 80 L HA 0.558 4.814 4.340 -0.140 0.000 0.269 80 L C 0.605 177.439 176.870 -0.060 0.000 1.005 80 L CA -1.071 53.747 54.840 -0.036 0.000 0.819 80 L CB 2.025 44.075 42.059 -0.015 0.000 1.311 80 L HN 0.306 nan 8.230 nan 0.000 0.423 81 E N 1.833 122.033 120.200 -0.001 0.000 2.417 81 E HA 0.263 4.529 4.350 -0.140 0.000 0.261 81 E C -0.588 175.986 176.600 -0.043 0.000 1.000 81 E CA -0.317 56.073 56.400 -0.017 0.000 0.919 81 E CB 1.018 30.744 29.700 0.044 0.000 0.955 81 E HN 0.614 nan 8.360 nan 0.000 0.455 82 A N 6.083 128.872 122.820 -0.053 0.000 2.412 82 A HA 0.347 4.583 4.320 -0.140 0.000 0.334 82 A C -0.782 176.884 177.584 0.136 0.000 1.419 82 A CA -0.676 51.382 52.037 0.035 0.000 0.930 82 A CB 0.071 18.985 19.000 -0.143 0.000 1.149 82 A HN 0.533 nan 8.150 nan 0.000 0.515 83 L N 1.729 123.064 121.223 0.187 0.000 2.468 83 L HA 0.814 5.071 4.340 -0.140 0.000 0.254 83 L C 1.094 178.143 176.870 0.298 0.000 1.171 83 L CA 1.154 56.094 54.840 0.166 0.000 0.809 83 L CB 0.360 42.467 42.059 0.081 0.000 1.155 83 L HN 1.172 nan 8.230 nan 0.000 0.473 84 G N 0.721 109.646 108.800 0.208 0.000 2.555 84 G HA2 0.028 3.904 3.960 -0.140 0.000 0.686 84 G HA3 0.028 3.904 3.960 -0.140 0.000 0.686 84 G C -0.956 173.982 174.900 0.063 0.000 1.275 84 G CA -0.612 44.649 45.100 0.269 0.000 0.871 84 G HN 0.611 nan 8.290 nan 0.000 0.603 85 M N 2.302 121.869 119.600 -0.054 0.000 2.341 85 M HA 0.295 4.692 4.480 -0.140 0.000 0.336 85 M C 1.592 177.772 176.300 -0.199 0.000 1.489 85 M CA -0.413 54.681 55.300 -0.344 0.000 1.278 85 M CB 0.050 32.094 32.600 -0.927 0.000 1.657 85 M HN 0.587 nan 8.290 nan 0.000 0.455 86 D N 1.646 121.895 120.400 -0.251 0.000 2.312 86 D HA -0.115 4.442 4.640 -0.140 0.000 0.211 86 D C -0.233 175.608 176.300 -0.766 0.000 0.964 86 D CA 0.414 54.159 54.000 -0.425 0.000 0.877 86 D CB -0.302 40.342 40.800 -0.261 0.000 0.924 86 D HN 0.557 nan 8.370 nan 0.000 0.515 87 D N -0.048 120.067 120.400 -0.475 0.000 2.468 87 D HA 0.015 4.571 4.640 -0.140 0.000 0.218 87 D C 0.551 176.699 176.300 -0.253 0.000 1.155 87 D CA -0.667 53.107 54.000 -0.377 0.000 0.924 87 D CB -0.013 40.678 40.800 -0.181 0.000 1.029 87 D HN -0.165 nan 8.370 nan 0.000 0.515 88 F N 2.483 122.464 119.950 0.052 0.000 2.154 88 F HA -0.153 4.291 4.527 -0.138 0.000 0.301 88 F C 2.258 178.102 175.800 0.074 0.000 1.087 88 F CA 0.877 58.958 58.000 0.136 0.000 1.274 88 F CB -0.470 38.647 39.000 0.196 0.000 1.009 88 F HN 0.318 nan 8.300 nan 0.000 0.485 89 K N 0.312 120.804 120.400 0.154 0.000 2.063 89 K HA -0.164 4.072 4.320 -0.140 0.000 0.208 89 K C 2.086 178.730 176.600 0.073 0.000 1.048 89 K CA 1.398 57.722 56.287 0.061 0.000 0.928 89 K CB -0.492 32.024 32.500 0.027 0.000 0.713 89 K HN 0.294 nan 8.250 nan 0.000 0.442 90 L N 0.176 121.442 121.223 0.073 0.000 2.093 90 L HA -0.140 4.116 4.340 -0.140 0.000 0.208 90 L C 2.595 179.616 176.870 0.253 0.000 1.085 90 L CA 1.016 55.928 54.840 0.119 0.000 0.755 90 L CB -0.634 41.475 42.059 0.084 0.000 0.904 90 L HN 0.212 nan 8.230 nan 0.000 0.435 91 A N -0.493 122.480 122.820 0.256 0.000 1.933 91 A HA -0.278 3.959 4.320 -0.140 0.000 0.218 91 A C 2.200 179.924 177.584 0.234 0.000 1.175 91 A CA 1.461 53.750 52.037 0.420 0.000 0.628 91 A CB -0.814 18.488 19.000 0.504 0.000 0.814 91 A HN 0.484 nan 8.150 nan 0.000 0.444 92 Y N 0.532 120.704 120.300 -0.214 0.000 2.145 92 Y HA -0.142 4.324 4.550 -0.140 0.000 0.286 92 Y C 1.921 177.700 175.900 -0.202 0.000 1.145 92 Y CA 1.787 59.526 58.100 -0.603 0.000 1.148 92 Y CB -0.297 37.658 38.460 -0.841 0.000 0.981 92 Y HN 0.197 nan 8.280 nan 0.000 0.507 93 L N -0.816 120.427 121.223 0.033 0.000 2.083 93 L HA -0.233 4.023 4.340 -0.140 0.000 0.209 93 L C 2.789 179.671 176.870 0.020 0.000 1.083 93 L CA 1.693 56.541 54.840 0.014 0.000 0.752 93 L CB -0.834 41.152 42.059 -0.122 0.000 0.899 93 L HN 0.263 nan 8.230 nan 0.000 0.433 94 S N -0.482 115.246 115.700 0.047 0.000 2.383 94 S HA -0.180 4.206 4.470 -0.140 0.000 0.227 94 S C 1.570 176.141 174.600 -0.048 0.000 1.026 94 S CA 1.436 59.642 58.200 0.011 0.000 0.981 94 S CB -0.109 63.117 63.200 0.044 0.000 0.818 94 S HN 0.394 nan 8.310 nan 0.000 0.472 95 D N 0.482 120.846 120.400 -0.060 0.000 2.149 95 D HA 0.002 4.558 4.640 -0.140 0.000 0.201 95 D C 2.012 178.174 176.300 -0.230 0.000 0.972 95 D CA 1.357 55.305 54.000 -0.088 0.000 0.835 95 D CB -0.682 40.111 40.800 -0.012 0.000 0.966 95 D HN 0.410 nan 8.370 nan 0.000 0.476 96 T N -0.645 113.654 114.554 -0.425 0.000 2.904 96 T HA -0.098 4.168 4.350 -0.140 0.000 0.267 96 T C 0.377 174.612 174.700 -0.776 0.000 1.059 96 T CA 0.759 62.473 62.100 -0.643 0.000 1.137 96 T CB -0.073 68.254 68.868 -0.901 0.000 0.879 96 T HN 0.158 nan 8.240 nan 0.000 0.467 97 Y N 1.503 121.634 120.300 -0.281 0.000 2.638 97 Y HA 0.423 4.890 4.550 -0.138 0.000 0.367 97 Y C 0.451 176.019 175.900 -0.553 0.000 1.001 97 Y CA -1.537 56.235 58.100 -0.547 0.000 1.133 97 Y CB -0.238 37.974 38.460 -0.414 0.000 1.199 97 Y HN -0.048 nan 8.280 nan 0.000 0.642 98 N N 2.451 121.008 118.700 -0.239 0.000 3.115 98 N HA 0.072 4.728 4.740 -0.140 0.000 0.305 98 N C -1.256 174.304 175.510 0.084 0.000 1.305 98 N CA 0.148 53.162 53.050 -0.061 0.000 1.154 98 N CB -0.613 37.882 38.487 0.013 0.000 1.454 98 N HN 0.516 nan 8.380 nan 0.000 0.551 99 Y N -2.935 117.418 120.300 0.088 0.000 2.788 99 Y HA 0.397 4.864 4.550 -0.139 0.000 0.335 99 Y C -0.519 175.439 175.900 0.096 0.000 1.287 99 Y CA -1.489 56.659 58.100 0.080 0.000 1.068 99 Y CB 0.533 39.044 38.460 0.085 0.000 1.340 99 Y HN -0.103 nan 8.280 nan 0.000 0.449 100 E N 1.706 122.115 120.200 0.349 0.000 2.299 100 E HA 0.297 4.563 4.350 -0.140 0.000 0.272 100 E C -0.847 175.965 176.600 0.354 0.000 1.043 100 E CA -0.310 56.234 56.400 0.241 0.000 0.895 100 E CB 0.497 30.312 29.700 0.192 0.000 1.011 100 E HN 0.544 nan 8.360 nan 0.000 0.432 101 I N 5.200 125.908 120.570 0.229 0.000 2.452 101 I HA 0.045 4.131 4.170 -0.140 0.000 0.287 101 I C 0.493 176.676 176.117 0.109 0.000 1.079 101 I CA 0.242 61.665 61.300 0.206 0.000 1.387 101 I CB 0.525 38.572 38.000 0.078 0.000 1.404 101 I HN 0.345 nan 8.210 nan 0.000 0.522 102 K N 8.432 128.861 120.400 0.049 0.000 2.293 102 K HA 0.325 4.562 4.320 -0.140 0.000 0.267 102 K C -1.230 175.127 176.600 -0.404 0.000 1.010 102 K CA -0.573 55.640 56.287 -0.123 0.000 0.875 102 K CB 0.889 33.346 32.500 -0.072 0.000 1.106 102 K HN 0.479 nan 8.250 nan 0.000 0.450 103 Y N 0.351 120.212 120.300 -0.731 0.000 2.528 103 Y HA 0.532 4.999 4.550 -0.139 0.000 0.335 103 Y C -0.725 174.699 175.900 -0.794 0.000 1.093 103 Y CA -1.490 55.773 58.100 -1.396 0.000 1.134 103 Y CB 1.255 38.717 38.460 -1.665 0.000 1.253 103 Y HN 0.378 nan 8.280 nan 0.000 0.478 104 D N 1.099 121.092 120.400 -0.679 0.000 2.461 104 D HA 0.100 4.656 4.640 -0.140 0.000 0.240 104 D C 0.559 176.892 176.300 0.054 0.000 1.094 104 D CA -0.496 53.383 54.000 -0.202 0.000 0.868 104 D CB 0.094 40.885 40.800 -0.015 0.000 1.062 104 D HN 0.903 nan 8.370 nan 0.000 0.530 105 H N 1.079 120.225 119.070 0.126 0.000 2.457 105 H HA -0.148 4.325 4.556 -0.138 0.000 0.297 105 H C 1.482 176.912 175.328 0.169 0.000 1.092 105 H CA 2.086 58.268 56.048 0.224 0.000 1.309 105 H CB -0.396 29.494 29.762 0.212 0.000 1.382 105 H HN 0.280 nan 8.280 nan 0.000 0.535 106 T N -2.327 111.936 114.554 -0.485 0.000 3.051 106 T HA -0.021 4.245 4.350 -0.140 0.000 0.269 106 T C 1.407 176.104 174.700 -0.006 0.000 1.127 106 T CA 0.610 62.584 62.100 -0.210 0.000 1.107 106 T CB -0.069 68.649 68.868 -0.250 0.000 0.898 106 T HN 0.291 nan 8.240 nan 0.000 0.517 107 K N 0.484 120.925 120.400 0.067 0.000 2.367 107 K HA 0.380 4.616 4.320 -0.140 0.000 0.194 107 K C 0.414 177.085 176.600 0.118 0.000 1.027 107 K CA -0.031 56.316 56.287 0.100 0.000 1.075 107 K CB 0.493 33.094 32.500 0.168 0.000 0.845 107 K HN 0.495 nan 8.250 nan 0.000 0.529 108 I N 2.067 122.745 120.570 0.180 0.000 2.315 108 I HA 0.198 4.284 4.170 -0.140 0.000 0.291 108 I C 0.427 176.609 176.117 0.108 0.000 1.006 108 I CA -0.677 60.726 61.300 0.173 0.000 1.265 108 I CB 1.049 39.211 38.000 0.270 0.000 1.387 108 I HN -0.180 nan 8.210 nan 0.000 0.475 109 R N 6.079 126.601 120.500 0.036 0.000 2.309 109 R HA 0.323 4.579 4.340 -0.140 0.000 0.331 109 R C -1.151 175.149 176.300 -0.001 0.000 1.116 109 R CA -0.248 55.845 56.100 -0.012 0.000 0.970 109 R CB 0.408 30.650 30.300 -0.096 0.000 1.024 109 R HN 0.443 nan 8.270 nan 0.000 0.472 110 V N 4.474 124.415 119.914 0.045 0.000 2.333 110 V HA 0.400 4.436 4.120 -0.140 0.000 0.274 110 V C 0.141 176.270 176.094 0.059 0.000 1.028 110 V CA -0.658 61.688 62.300 0.075 0.000 0.851 110 V CB 1.186 33.096 31.823 0.146 0.000 1.000 110 V HN 0.830 nan 8.190 nan 0.000 0.456 111 A N 4.713 127.533 122.820 0.000 0.000 2.292 111 A HA 0.697 4.933 4.320 -0.140 0.000 0.319 111 A C -0.137 177.469 177.584 0.036 0.000 1.206 111 A CA -0.567 51.424 52.037 -0.077 0.000 0.835 111 A CB 0.655 19.482 19.000 -0.288 0.000 1.164 111 A HN 0.680 nan 8.150 nan 0.000 0.505 112 N N 2.068 120.834 118.700 0.110 0.000 2.448 112 N HA 0.614 5.270 4.740 -0.140 0.000 0.279 112 N C -1.571 174.133 175.510 0.323 0.000 1.025 112 N CA -0.180 53.028 53.050 0.263 0.000 0.898 112 N CB 1.330 39.982 38.487 0.274 0.000 1.303 112 N HN 0.545 nan 8.380 nan 0.000 0.495 113 F N 1.078 121.084 119.950 0.094 0.000 2.650 113 F HA 0.791 5.234 4.527 -0.140 0.000 0.320 113 F C -1.303 174.615 175.800 0.197 0.000 1.091 113 F CA -1.392 56.702 58.000 0.158 0.000 0.962 113 F CB 1.334 40.445 39.000 0.185 0.000 1.363 113 F HN 0.253 nan 8.300 nan 0.000 0.482 114 D N 1.024 121.387 120.400 -0.062 0.000 2.717 114 D HA 0.610 5.166 4.640 -0.140 0.000 0.223 114 D C -1.400 174.841 176.300 -0.098 0.000 1.240 114 D CA -0.394 53.490 54.000 -0.193 0.000 0.801 114 D CB 2.276 43.057 40.800 -0.031 0.000 1.556 114 D HN 0.893 nan 8.370 nan 0.000 0.462 115 I N -1.213 119.307 120.570 -0.085 0.000 3.108 115 I HA 0.786 4.872 4.170 -0.140 0.000 0.312 115 I C -1.018 175.124 176.117 0.042 0.000 1.095 115 I CA -0.718 60.575 61.300 -0.011 0.000 1.000 115 I CB 2.272 40.248 38.000 -0.039 0.000 1.229 115 I HN 0.106 nan 8.210 nan 0.000 0.454 116 E N 2.595 122.810 120.200 0.025 0.000 2.288 116 E HA 0.654 4.920 4.350 -0.140 0.000 0.268 116 E C -1.392 175.266 176.600 0.096 0.000 0.885 116 E CA -0.787 55.636 56.400 0.038 0.000 0.767 116 E CB 2.946 32.569 29.700 -0.128 0.000 1.220 116 E HN 0.519 nan 8.360 nan 0.000 0.427 117 V N 1.880 121.856 119.914 0.104 0.000 2.509 117 V HA 0.181 4.217 4.120 -0.140 0.000 0.289 117 V C -0.291 175.862 176.094 0.099 0.000 1.026 117 V CA -0.742 61.595 62.300 0.061 0.000 0.872 117 V CB 1.928 33.648 31.823 -0.172 0.000 1.017 117 V HN 0.603 nan 8.190 nan 0.000 0.436 118 T N 3.469 118.093 114.554 0.117 0.000 2.799 118 T HA 0.256 4.522 4.350 -0.140 0.000 0.296 118 T C 0.274 174.866 174.700 -0.180 0.000 0.947 118 T CA 0.548 62.623 62.100 -0.041 0.000 1.141 118 T CB 0.701 69.505 68.868 -0.107 0.000 0.891 118 T HN 0.668 nan 8.240 nan 0.000 0.533 119 S N 4.692 120.276 115.700 -0.193 0.000 2.789 119 S HA 0.413 4.799 4.470 -0.140 0.000 0.286 119 S C -1.625 172.851 174.600 -0.207 0.000 1.153 119 S CA -1.550 56.550 58.200 -0.167 0.000 1.084 119 S CB 1.282 64.599 63.200 0.194 0.000 1.036 119 S HN 0.446 nan 8.310 nan 0.000 0.484 120 P HA 0.040 nan 4.420 nan 0.000 0.225 120 P C 0.007 177.282 177.300 -0.042 0.000 1.156 120 P CA 0.740 63.701 63.100 -0.232 0.000 0.787 120 P CB -0.135 31.361 31.700 -0.339 0.000 0.802 121 D N -0.409 120.029 120.400 0.063 0.000 3.071 121 D HA 0.418 4.974 4.640 -0.140 0.000 0.259 121 D C 0.896 177.274 176.300 0.131 0.000 1.331 121 D CA -0.650 53.417 54.000 0.112 0.000 0.861 121 D CB -0.318 40.576 40.800 0.155 0.000 1.059 121 D HN 0.243 nan 8.370 nan 0.000 0.486 122 G N 0.077 108.947 108.800 0.117 0.000 2.610 122 G HA2 -0.146 3.730 3.960 -0.140 0.000 0.304 122 G HA3 -0.146 3.730 3.960 -0.140 0.000 0.304 122 G C -0.751 174.268 174.900 0.199 0.000 1.309 122 G CA -0.848 44.346 45.100 0.157 0.000 0.906 122 G HN 0.317 nan 8.290 nan 0.000 0.521 123 F N 3.653 123.663 119.950 0.100 0.000 2.571 123 F HA 0.465 4.910 4.527 -0.137 0.000 0.384 123 F C -0.809 175.093 175.800 0.171 0.000 1.058 123 F CA -1.060 57.007 58.000 0.112 0.000 1.200 123 F CB 0.681 39.734 39.000 0.089 0.000 1.077 123 F HN 0.326 nan 8.300 nan 0.000 0.558 124 P HA 0.006 nan 4.420 nan 0.000 0.271 124 P C -0.862 176.401 177.300 -0.060 0.000 1.380 124 P CA -0.075 62.958 63.100 -0.112 0.000 0.992 124 P CB 0.433 32.154 31.700 0.035 0.000 1.230 125 E N 5.096 125.367 120.200 0.118 0.000 2.417 125 E HA 0.019 4.285 4.350 -0.140 0.000 0.261 125 E C -1.587 175.111 176.600 0.164 0.000 1.000 125 E CA -1.601 54.942 56.400 0.237 0.000 0.919 125 E CB 0.266 30.080 29.700 0.190 0.000 0.955 125 E HN 0.361 nan 8.360 nan 0.000 0.455 126 P HA -0.135 nan 4.420 nan 0.000 0.220 126 P C 1.296 178.529 177.300 -0.112 0.000 1.148 126 P CA 1.203 64.304 63.100 0.002 0.000 0.803 126 P CB 0.243 32.003 31.700 0.100 0.000 0.782 127 S N -1.376 114.316 115.700 -0.014 0.000 2.447 127 S HA -0.138 4.248 4.470 -0.140 0.000 0.233 127 S C 1.893 176.446 174.600 -0.078 0.000 1.006 127 S CA 0.898 59.081 58.200 -0.028 0.000 0.957 127 S CB -0.831 62.377 63.200 0.013 0.000 0.773 127 S HN 0.233 nan 8.310 nan 0.000 0.507 128 Q N 0.549 120.287 119.800 -0.104 0.000 2.304 128 Q HA 0.448 4.704 4.340 -0.140 0.000 0.204 128 Q C 1.041 176.894 176.000 -0.246 0.000 0.936 128 Q CA 0.352 56.077 55.803 -0.132 0.000 0.878 128 Q CB -0.136 28.552 28.738 -0.083 0.000 0.983 128 Q HN 0.643 nan 8.270 nan 0.000 0.516 129 A N 2.413 124.978 122.820 -0.425 0.000 2.596 129 A HA -0.268 3.968 4.320 -0.140 0.000 0.300 129 A C 1.065 178.467 177.584 -0.302 0.000 1.495 129 A CA 1.420 52.979 52.037 -0.796 0.000 0.769 129 A CB -1.726 16.721 19.000 -0.922 0.000 1.047 129 A HN 0.540 nan 8.150 nan 0.000 0.436 130 K N -0.595 119.696 120.400 -0.181 0.000 2.444 130 K HA 0.129 4.365 4.320 -0.140 0.000 0.193 130 K C 0.323 176.909 176.600 -0.023 0.000 1.024 130 K CA 0.790 56.987 56.287 -0.150 0.000 1.077 130 K CB 0.079 32.441 32.500 -0.229 0.000 0.833 130 K HN 0.831 nan 8.250 nan 0.000 0.517 131 H N 1.392 120.592 119.070 0.217 0.000 2.622 131 H HA 0.310 4.782 4.556 -0.140 0.000 0.363 131 H C -2.545 172.941 175.328 0.262 0.000 1.151 131 H CA -2.918 53.284 56.048 0.256 0.000 1.184 131 H CB 1.862 31.808 29.762 0.307 0.000 1.643 131 H HN 0.029 nan 8.280 nan 0.000 0.531 132 P HA -0.009 nan 4.420 nan 0.000 0.269 132 P C -0.253 177.177 177.300 0.216 0.000 1.209 132 P CA 0.330 63.556 63.100 0.209 0.000 0.776 132 P CB 1.172 32.939 31.700 0.111 0.000 0.876 133 I N 3.204 123.881 120.570 0.178 0.000 2.379 133 I HA 0.012 4.099 4.170 -0.140 0.000 0.290 133 I C 0.954 177.148 176.117 0.128 0.000 1.063 133 I CA 0.164 61.535 61.300 0.118 0.000 1.351 133 I CB 0.455 38.506 38.000 0.086 0.000 1.410 133 I HN 0.366 nan 8.210 nan 0.000 0.505 134 D N 4.549 125.054 120.400 0.174 0.000 2.395 134 D HA 0.388 4.944 4.640 -0.140 0.000 0.213 134 D C 0.007 176.481 176.300 0.289 0.000 1.110 134 D CA -0.179 53.961 54.000 0.232 0.000 0.835 134 D CB 0.709 41.662 40.800 0.256 0.000 0.965 134 D HN 0.404 nan 8.370 nan 0.000 0.505 135 A N 0.249 123.193 122.820 0.207 0.000 2.565 135 A HA 0.624 4.860 4.320 -0.140 0.000 0.298 135 A C -1.734 175.903 177.584 0.087 0.000 1.062 135 A CA -0.781 51.361 52.037 0.176 0.000 0.723 135 A CB 0.887 19.971 19.000 0.139 0.000 1.282 135 A HN 0.145 nan 8.150 nan 0.000 0.400 136 I N 1.515 122.159 120.570 0.122 0.000 2.571 136 I HA 0.426 4.512 4.170 -0.140 0.000 0.289 136 I C -0.657 175.623 176.117 0.272 0.000 1.115 136 I CA -0.345 61.008 61.300 0.088 0.000 1.045 136 I CB 2.794 40.660 38.000 -0.224 0.000 1.238 136 I HN 0.568 nan 8.210 nan 0.000 0.424 137 T N 3.552 118.277 114.554 0.284 0.000 2.786 137 T HA 0.336 4.602 4.350 -0.140 0.000 0.283 137 T C -0.993 174.035 174.700 0.547 0.000 0.992 137 T CA -0.419 61.914 62.100 0.388 0.000 0.954 137 T CB 0.665 69.692 68.868 0.265 0.000 0.934 137 T HN 0.513 nan 8.240 nan 0.000 0.440 138 H N 2.496 121.902 119.070 0.560 0.000 2.708 138 H HA 0.471 4.944 4.556 -0.138 0.000 0.320 138 H C -1.449 174.212 175.328 0.555 0.000 0.991 138 H CA -0.833 55.588 56.048 0.621 0.000 1.243 138 H CB 0.593 30.792 29.762 0.727 0.000 1.446 138 H HN 0.672 nan 8.280 nan 0.000 0.502 139 Y N 5.021 125.487 120.300 0.276 0.000 2.320 139 Y HA 0.222 4.689 4.550 -0.140 0.000 0.334 139 Y C -0.753 175.233 175.900 0.144 0.000 1.055 139 Y CA -0.539 57.590 58.100 0.048 0.000 1.143 139 Y CB 0.898 39.143 38.460 -0.359 0.000 1.193 139 Y HN 0.651 nan 8.280 nan 0.000 0.477 140 D N 3.822 123.910 120.400 -0.521 0.000 2.344 140 D HA 0.090 4.646 4.640 -0.140 0.000 0.239 140 D C 0.476 176.364 176.300 -0.686 0.000 1.064 140 D CA -0.003 53.805 54.000 -0.319 0.000 0.829 140 D CB 1.870 42.700 40.800 0.050 0.000 1.129 140 D HN 0.775 nan 8.370 nan 0.000 0.506 141 S N 3.879 119.389 115.700 -0.317 0.000 2.453 141 S HA -0.108 4.278 4.470 -0.140 0.000 0.231 141 S C 1.885 176.478 174.600 -0.013 0.000 1.005 141 S CA 0.206 58.367 58.200 -0.065 0.000 0.949 141 S CB 0.020 63.319 63.200 0.165 0.000 0.774 141 S HN 0.557 nan 8.310 nan 0.000 0.510 142 I N 2.861 123.408 120.570 -0.039 0.000 2.233 142 I HA -0.045 4.041 4.170 -0.140 0.000 0.243 142 I C 1.633 177.750 176.117 0.000 0.000 1.093 142 I CA 1.202 62.499 61.300 -0.004 0.000 1.380 142 I CB -1.190 36.795 38.000 -0.025 0.000 1.067 142 I HN 0.276 nan 8.210 nan 0.000 0.413 143 D N 0.037 120.430 120.400 -0.011 0.000 2.289 143 D HA -0.103 4.454 4.640 -0.140 0.000 0.207 143 D C 0.621 176.924 176.300 0.006 0.000 0.966 143 D CA 0.580 54.602 54.000 0.037 0.000 0.868 143 D CB -0.188 40.702 40.800 0.150 0.000 0.943 143 D HN 0.240 nan 8.370 nan 0.000 0.514 144 D N 0.291 120.632 120.400 -0.099 0.000 2.716 144 D HA -0.169 4.387 4.640 -0.140 0.000 0.239 144 D C -0.840 175.468 176.300 0.012 0.000 1.125 144 D CA 0.503 54.486 54.000 -0.028 0.000 0.681 144 D CB -0.429 40.459 40.800 0.145 0.000 1.070 144 D HN 0.025 nan 8.370 nan 0.000 0.432 145 R N 0.050 120.437 120.500 -0.189 0.000 2.795 145 R HA 0.560 4.816 4.340 -0.140 0.000 0.275 145 R C -0.501 175.704 176.300 -0.157 0.000 0.981 145 R CA -0.673 55.362 56.100 -0.110 0.000 0.917 145 R CB 0.688 30.791 30.300 -0.329 0.000 1.202 145 R HN 0.024 nan 8.270 nan 0.000 0.469 146 F N 1.960 121.920 119.950 0.016 0.000 2.332 146 F HA 0.359 4.801 4.527 -0.141 0.000 0.368 146 F C -0.087 175.698 175.800 -0.025 0.000 1.110 146 F CA -0.598 57.505 58.000 0.171 0.000 1.087 146 F CB 0.630 39.734 39.000 0.174 0.000 1.235 146 F HN 0.273 nan 8.300 nan 0.000 0.470 147 Y N 2.534 123.018 120.300 0.307 0.000 2.350 147 Y HA 0.493 4.959 4.550 -0.141 0.000 0.340 147 Y C -0.038 175.960 175.900 0.164 0.000 1.006 147 Y CA -0.802 57.360 58.100 0.104 0.000 1.166 147 Y CB 0.943 39.346 38.460 -0.095 0.000 1.168 147 Y HN 0.185 nan 8.280 nan 0.000 0.502 148 V N 5.605 125.570 119.914 0.085 0.000 2.378 148 V HA 0.335 4.371 4.120 -0.140 0.000 0.288 148 V C -0.800 175.279 176.094 -0.026 0.000 1.016 148 V CA -1.025 61.351 62.300 0.126 0.000 0.840 148 V CB 0.572 32.416 31.823 0.035 0.000 0.994 148 V HN 0.421 nan 8.190 nan 0.000 0.431 149 F N 2.917 122.944 119.950 0.129 0.000 2.388 149 F HA 0.547 4.990 4.527 -0.140 0.000 0.358 149 F C 0.173 176.103 175.800 0.217 0.000 1.122 149 F CA -0.952 57.190 58.000 0.237 0.000 1.056 149 F CB 1.288 40.369 39.000 0.134 0.000 1.155 149 F HN 0.410 nan 8.300 nan 0.000 0.461 150 D N 3.726 124.357 120.400 0.384 0.000 2.481 150 D HA 0.266 4.822 4.640 -0.140 0.000 0.246 150 D C -1.297 175.246 176.300 0.405 0.000 1.109 150 D CA -0.578 53.648 54.000 0.377 0.000 0.845 150 D CB 1.519 42.572 40.800 0.422 0.000 1.160 150 D HN 0.376 nan 8.370 nan 0.000 0.534 151 L N 5.237 126.678 121.223 0.364 0.000 2.315 151 L HA 0.260 4.516 4.340 -0.140 0.000 0.283 151 L C 0.517 177.505 176.870 0.196 0.000 1.089 151 L CA 0.111 55.120 54.840 0.281 0.000 0.833 151 L CB 0.474 42.660 42.059 0.212 0.000 1.170 151 L HN 0.594 nan 8.230 nan 0.000 0.442 152 L N 3.800 125.111 121.223 0.147 0.000 2.209 152 L HA 0.138 4.394 4.340 -0.140 0.000 0.207 152 L C 0.221 177.093 176.870 0.003 0.000 1.094 152 L CA 0.354 55.216 54.840 0.037 0.000 0.790 152 L CB -0.228 41.862 42.059 0.052 0.000 0.932 152 L HN 0.645 nan 8.230 nan 0.000 0.447 153 N N 0.340 119.065 118.700 0.042 0.000 2.399 153 N HA 0.336 4.992 4.740 -0.140 0.000 0.284 153 N C -0.871 174.648 175.510 0.015 0.000 1.025 153 N CA 0.042 53.102 53.050 0.017 0.000 0.885 153 N CB 2.276 40.775 38.487 0.020 0.000 1.339 153 N HN -0.006 nan 8.380 nan 0.000 0.487 154 S N 0.696 116.387 115.700 -0.014 0.000 2.638 154 S HA 0.551 4.937 4.470 -0.140 0.000 0.274 154 S C -2.378 172.150 174.600 -0.121 0.000 1.157 154 S CA -1.048 57.122 58.200 -0.049 0.000 0.826 154 S CB 2.500 65.694 63.200 -0.010 0.000 1.139 154 S HN 0.197 nan 8.310 nan 0.000 0.474 155 P HA -0.027 nan 4.420 nan 0.000 0.231 155 P C 0.076 177.156 177.300 -0.366 0.000 1.158 155 P CA 0.982 63.876 63.100 -0.344 0.000 0.763 155 P CB -0.271 31.142 31.700 -0.478 0.000 0.805 156 Y N 0.230 120.497 120.300 -0.055 0.000 2.571 156 Y HA 0.519 4.985 4.550 -0.140 0.000 0.275 156 Y C 1.530 177.386 175.900 -0.073 0.000 1.179 156 Y CA -0.146 57.909 58.100 -0.076 0.000 1.242 156 Y CB 0.048 38.443 38.460 -0.108 0.000 1.126 156 Y HN -0.004 nan 8.280 nan 0.000 0.524 157 G N 0.369 109.191 108.800 0.037 0.000 2.348 157 G HA2 -0.068 3.808 3.960 -0.140 0.000 0.606 157 G HA3 -0.068 3.808 3.960 -0.140 0.000 0.606 157 G C -1.361 173.524 174.900 -0.025 0.000 1.466 157 G CA -1.239 43.863 45.100 0.003 0.000 0.950 157 G HN 0.180 nan 8.290 nan 0.000 0.657 158 N N -0.180 118.500 118.700 -0.033 0.000 2.417 158 N HA 0.658 5.314 4.740 -0.140 0.000 0.274 158 N C 0.220 175.688 175.510 -0.070 0.000 0.987 158 N CA -0.715 52.309 53.050 -0.043 0.000 0.912 158 N CB 2.622 41.095 38.487 -0.024 0.000 1.177 158 N HN 0.821 nan 8.380 nan 0.000 0.490 159 V N -0.802 119.032 119.914 -0.133 0.000 3.113 159 V HA 0.575 4.612 4.120 -0.140 0.000 0.316 159 V C -0.221 175.788 176.094 -0.141 0.000 1.125 159 V CA -0.871 61.313 62.300 -0.193 0.000 1.026 159 V CB 2.040 33.580 31.823 -0.471 0.000 1.080 159 V HN 0.410 nan 8.190 nan 0.000 0.444 160 E N 0.380 120.544 120.200 -0.060 0.000 2.280 160 E HA 0.394 4.660 4.350 -0.140 0.000 0.264 160 E C -0.299 176.397 176.600 0.160 0.000 1.064 160 E CA -0.525 55.901 56.400 0.043 0.000 0.900 160 E CB 1.063 30.800 29.700 0.061 0.000 1.123 160 E HN 0.814 nan 8.360 nan 0.000 0.418 161 E N 0.582 120.914 120.200 0.220 0.000 2.437 161 E HA -0.090 4.176 4.350 -0.140 0.000 0.263 161 E C -0.427 176.394 176.600 0.368 0.000 1.030 161 E CA 0.132 56.768 56.400 0.394 0.000 0.934 161 E CB 0.471 30.384 29.700 0.354 0.000 0.943 161 E HN 0.325 nan 8.360 nan 0.000 0.444 162 W N 2.781 124.164 121.300 0.138 0.000 2.190 162 W HA 0.052 4.629 4.660 -0.139 0.000 0.330 162 W C -0.101 176.209 176.519 -0.348 0.000 1.299 162 W CA -0.199 57.033 57.345 -0.189 0.000 1.215 162 W CB 0.813 30.046 29.460 -0.378 0.000 1.147 162 W HN 0.213 nan 8.180 nan 0.000 0.563 163 S N 7.289 122.458 115.700 -0.885 0.000 2.420 163 S HA 0.183 4.569 4.470 -0.140 0.000 0.313 163 S C 0.784 174.513 174.600 -1.452 0.000 1.079 163 S CA -0.755 56.907 58.200 -0.896 0.000 1.104 163 S CB 0.462 63.374 63.200 -0.481 0.000 0.969 163 S HN 0.703 nan 8.310 nan 0.000 0.471 164 I N 4.142 123.898 120.570 -1.357 0.000 2.614 164 I HA -0.100 3.986 4.170 -0.140 0.000 0.258 164 I C 1.560 177.333 176.117 -0.574 0.000 1.189 164 I CA 1.351 61.963 61.300 -1.146 0.000 1.462 164 I CB 0.164 37.853 38.000 -0.518 0.000 1.092 164 I HN 0.653 nan 8.210 nan 0.000 0.442 165 E N 0.903 120.836 120.200 -0.445 0.000 2.047 165 E HA -0.158 4.108 4.350 -0.140 0.000 0.191 165 E C 2.050 178.499 176.600 -0.252 0.000 0.987 165 E CA 1.440 57.678 56.400 -0.270 0.000 0.799 165 E CB -0.248 29.329 29.700 -0.206 0.000 0.752 165 E HN 0.504 nan 8.360 nan 0.000 0.449 166 I N 0.615 121.000 120.570 -0.309 0.000 2.353 166 I HA -0.193 3.893 4.170 -0.140 0.000 0.248 166 I C 2.216 178.209 176.117 -0.206 0.000 1.119 166 I CA 0.818 61.982 61.300 -0.227 0.000 1.417 166 I CB -0.266 37.603 38.000 -0.218 0.000 1.078 166 I HN 0.077 nan 8.210 nan 0.000 0.421 167 A N 0.857 123.486 122.820 -0.317 0.000 1.940 167 A HA -0.168 4.068 4.320 -0.140 0.000 0.219 167 A C 2.493 180.034 177.584 -0.072 0.000 1.176 167 A CA 1.903 53.859 52.037 -0.135 0.000 0.631 167 A CB -0.658 18.300 19.000 -0.070 0.000 0.814 167 A HN 0.433 nan 8.150 nan 0.000 0.446 168 A N -0.423 122.324 122.820 -0.121 0.000 2.016 168 A HA 0.078 4.315 4.320 -0.140 0.000 0.217 168 A C 1.231 178.776 177.584 -0.065 0.000 1.162 168 A CA 0.610 52.597 52.037 -0.083 0.000 0.662 168 A CB -0.193 18.750 19.000 -0.096 0.000 0.812 168 A HN 0.526 nan 8.150 nan 0.000 0.450 169 K N 0.605 120.961 120.400 -0.073 0.000 2.380 169 K HA 0.243 4.480 4.320 -0.140 0.000 0.267 169 K C -0.233 176.347 176.600 -0.033 0.000 0.990 169 K CA -0.397 55.858 56.287 -0.053 0.000 0.946 169 K CB 0.360 32.825 32.500 -0.057 0.000 0.937 169 K HN 0.142 nan 8.250 nan 0.000 0.491 170 L N 2.836 124.045 121.223 -0.025 0.000 2.473 170 L HA -0.049 4.207 4.340 -0.140 0.000 0.268 170 L C 1.830 178.695 176.870 -0.008 0.000 1.215 170 L CA 0.482 55.314 54.840 -0.014 0.000 0.823 170 L CB 0.486 42.537 42.059 -0.013 0.000 1.099 170 L HN 0.702 nan 8.230 nan 0.000 0.483 171 Q N 1.108 120.909 119.800 0.001 0.000 2.096 171 Q HA -0.205 4.051 4.340 -0.140 0.000 0.204 171 Q C 1.437 177.439 176.000 0.003 0.000 0.982 171 Q CA 1.634 57.441 55.803 0.008 0.000 0.850 171 Q CB 0.119 28.864 28.738 0.013 0.000 0.901 171 Q HN 0.527 nan 8.270 nan 0.000 0.422 172 E N 0.193 120.392 120.200 -0.001 0.000 2.516 172 E HA -0.085 4.181 4.350 -0.140 0.000 0.199 172 E C 0.816 177.413 176.600 -0.006 0.000 1.069 172 E CA 0.406 56.804 56.400 -0.003 0.000 0.876 172 E CB 0.084 29.781 29.700 -0.005 0.000 0.843 172 E HN 0.395 nan 8.360 nan 0.000 0.530 173 Q N -1.202 118.593 119.800 -0.009 0.000 2.194 173 Q HA 0.289 4.546 4.340 -0.140 0.000 0.214 173 Q C 0.661 176.652 176.000 -0.015 0.000 0.838 173 Q CA 0.260 56.054 55.803 -0.014 0.000 0.972 173 Q CB 1.214 29.940 28.738 -0.020 0.000 1.131 173 Q HN 0.256 nan 8.270 nan 0.000 0.498 174 G N 0.403 109.198 108.800 -0.008 0.000 2.143 174 G HA2 -0.239 3.637 3.960 -0.140 0.000 0.249 174 G HA3 -0.239 3.637 3.960 -0.140 0.000 0.249 174 G C 0.356 175.251 174.900 -0.008 0.000 0.981 174 G CA -0.214 44.883 45.100 -0.005 0.000 0.665 174 G HN 0.513 nan 8.290 nan 0.000 0.528 175 G N -1.085 107.708 108.800 -0.012 0.000 2.537 175 G HA2 0.527 4.403 3.960 -0.140 0.000 0.297 175 G HA3 0.527 4.403 3.960 -0.140 0.000 0.297 175 G C 0.357 175.262 174.900 0.009 0.000 1.310 175 G CA 0.390 45.479 45.100 -0.018 0.000 1.027 175 G HN 0.054 nan 8.290 nan 0.000 0.505 176 D N -1.169 119.241 120.400 0.017 0.000 2.367 176 D HA 0.022 4.578 4.640 -0.140 0.000 0.207 176 D C 0.759 177.083 176.300 0.040 0.000 1.034 176 D CA 0.222 54.254 54.000 0.054 0.000 0.861 176 D CB 0.478 41.339 40.800 0.102 0.000 0.943 176 D HN 0.694 nan 8.370 nan 0.000 0.515 177 E N 0.654 120.861 120.200 0.013 0.000 2.389 177 E HA -0.185 4.081 4.350 -0.140 0.000 0.243 177 E C -0.810 175.788 176.600 -0.002 0.000 1.154 177 E CA -0.275 56.126 56.400 0.001 0.000 0.723 177 E CB -1.042 28.663 29.700 0.008 0.000 1.261 177 E HN -0.047 nan 8.360 nan 0.000 0.390 178 V N 1.798 121.708 119.914 -0.007 0.000 2.540 178 V HA 0.073 4.109 4.120 -0.140 0.000 0.297 178 V C -1.669 174.368 176.094 -0.095 0.000 1.024 178 V CA -0.393 61.880 62.300 -0.045 0.000 1.105 178 V CB 0.577 32.389 31.823 -0.018 0.000 0.938 178 V HN 0.307 nan 8.190 nan 0.000 0.482 179 P HA -0.074 nan 4.420 nan 0.000 0.259 179 P C 1.004 178.208 177.300 -0.161 0.000 1.163 179 P CA 0.681 63.698 63.100 -0.139 0.000 0.760 179 P CB 0.466 32.045 31.700 -0.203 0.000 0.762 180 S N 4.131 119.780 115.700 -0.086 0.000 2.380 180 S HA -0.239 4.148 4.470 -0.140 0.000 0.229 180 S C 1.594 176.147 174.600 -0.077 0.000 1.043 180 S CA 1.762 59.921 58.200 -0.069 0.000 1.038 180 S CB -0.656 62.522 63.200 -0.037 0.000 0.872 180 S HN 0.629 nan 8.310 nan 0.000 0.456 181 E N 1.388 121.543 120.200 -0.074 0.000 2.463 181 E HA -0.140 4.126 4.350 -0.140 0.000 0.201 181 E C 1.850 178.398 176.600 -0.086 0.000 1.045 181 E CA 1.347 57.717 56.400 -0.050 0.000 0.872 181 E CB -0.581 29.120 29.700 0.002 0.000 0.797 181 E HN 0.949 nan 8.360 nan 0.000 0.538 182 I N -3.529 116.915 120.570 -0.211 0.000 4.288 182 I HA 0.123 4.210 4.170 -0.140 0.000 0.331 182 I C 1.785 177.794 176.117 -0.179 0.000 1.322 182 I CA -0.459 60.694 61.300 -0.244 0.000 1.149 182 I CB 0.056 37.646 38.000 -0.684 0.000 1.112 182 I HN -0.229 nan 8.210 nan 0.000 0.403 183 I N 2.866 123.353 120.570 -0.139 0.000 2.248 183 I HA -0.251 3.835 4.170 -0.140 0.000 0.248 183 I C 1.429 177.540 176.117 -0.009 0.000 1.107 183 I CA 1.756 63.018 61.300 -0.063 0.000 1.373 183 I CB -0.914 37.054 38.000 -0.055 0.000 1.055 183 I HN 0.384 nan 8.210 nan 0.000 0.418 184 D N 0.431 120.829 120.400 -0.003 0.000 2.340 184 D HA -0.025 4.531 4.640 -0.140 0.000 0.220 184 D C 1.409 177.740 176.300 0.052 0.000 1.039 184 D CA 0.457 54.471 54.000 0.023 0.000 0.866 184 D CB 0.112 40.923 40.800 0.019 0.000 0.913 184 D HN 0.398 nan 8.370 nan 0.000 0.523 185 K N 0.132 120.581 120.400 0.082 0.000 2.414 185 K HA 0.275 4.511 4.320 -0.140 0.000 0.204 185 K C 0.356 177.069 176.600 0.188 0.000 1.026 185 K CA -0.095 56.290 56.287 0.164 0.000 1.108 185 K CB 1.398 34.086 32.500 0.314 0.000 0.855 185 K HN 0.031 nan 8.250 nan 0.000 0.517 186 I N 1.849 122.483 120.570 0.107 0.000 2.353 186 I HA 0.257 4.343 4.170 -0.140 0.000 0.293 186 I C -0.206 175.945 176.117 0.056 0.000 0.992 186 I CA -0.667 60.694 61.300 0.101 0.000 1.268 186 I CB 1.247 39.309 38.000 0.104 0.000 1.387 186 I HN -0.079 nan 8.210 nan 0.000 0.478 187 I N 7.167 127.720 120.570 -0.028 0.000 2.428 187 I HA 0.168 4.254 4.170 -0.140 0.000 0.279 187 I C -0.788 175.335 176.117 0.011 0.000 1.040 187 I CA -0.660 60.608 61.300 -0.052 0.000 1.171 187 I CB 0.740 38.592 38.000 -0.247 0.000 1.312 187 I HN 0.441 nan 8.210 nan 0.000 0.470 188 Y N 7.790 128.076 120.300 -0.023 0.000 2.335 188 Y HA 0.538 5.004 4.550 -0.140 0.000 0.331 188 Y C -0.435 175.414 175.900 -0.085 0.000 1.094 188 Y CA -0.592 57.498 58.100 -0.016 0.000 1.253 188 Y CB 0.877 39.444 38.460 0.178 0.000 1.203 188 Y HN 0.445 nan 8.280 nan 0.000 0.508 189 M N 9.953 129.093 119.600 -0.766 0.000 2.031 189 M HA 0.294 4.690 4.480 -0.140 0.000 0.273 189 M C -2.747 172.973 176.300 -0.965 0.000 0.904 189 M CA -1.750 53.069 55.300 -0.803 0.000 0.963 189 M CB 1.976 34.214 32.600 -0.604 0.000 1.707 189 M HN 0.410 nan 8.290 nan 0.000 0.427 190 P HA 0.467 nan 4.420 nan 0.000 0.281 190 P C -1.299 175.582 177.300 -0.698 0.000 1.249 190 P CA -0.139 62.618 63.100 -0.572 0.000 0.810 190 P CB 0.906 32.434 31.700 -0.287 0.000 1.008 191 F N 0.044 119.997 119.950 0.006 0.000 2.556 191 F HA 0.187 4.631 4.527 -0.140 0.000 0.314 191 F C 1.392 177.221 175.800 0.048 0.000 1.106 191 F CA -0.368 57.656 58.000 0.040 0.000 0.911 191 F CB 1.718 40.766 39.000 0.080 0.000 1.190 191 F HN 0.251 nan 8.300 nan 0.000 0.448 192 D N 1.305 121.828 120.400 0.206 0.000 2.269 192 D HA -0.063 4.493 4.640 -0.140 0.000 0.208 192 D C -0.239 176.138 176.300 0.128 0.000 0.963 192 D CA 1.167 55.245 54.000 0.129 0.000 0.864 192 D CB 0.120 40.976 40.800 0.093 0.000 0.936 192 D HN 0.656 nan 8.370 nan 0.000 0.505 193 N N -1.975 116.828 118.700 0.171 0.000 2.598 193 N HA 0.066 4.722 4.740 -0.140 0.000 0.263 193 N C 0.013 175.593 175.510 0.116 0.000 1.254 193 N CA -0.833 52.287 53.050 0.116 0.000 0.863 193 N CB 0.952 39.489 38.487 0.082 0.000 1.586 193 N HN -0.161 nan 8.380 nan 0.000 0.491 194 E N 0.617 120.862 120.200 0.075 0.000 2.085 194 E HA -0.220 4.046 4.350 -0.140 0.000 0.194 194 E C 0.747 177.386 176.600 0.065 0.000 0.994 194 E CA 1.378 57.813 56.400 0.057 0.000 0.801 194 E CB 0.060 29.789 29.700 0.047 0.000 0.743 194 E HN 0.600 nan 8.360 nan 0.000 0.453 195 K N 0.219 120.675 120.400 0.093 0.000 2.103 195 K HA -0.206 4.030 4.320 -0.140 0.000 0.207 195 K C 2.176 178.899 176.600 0.205 0.000 1.048 195 K CA 1.458 57.880 56.287 0.226 0.000 0.930 195 K CB -0.093 32.504 32.500 0.162 0.000 0.716 195 K HN 0.017 nan 8.250 nan 0.000 0.444 196 E N 1.455 121.722 120.200 0.112 0.000 2.072 196 E HA -0.139 4.127 4.350 -0.140 0.000 0.191 196 E C 1.798 178.284 176.600 -0.189 0.000 0.985 196 E CA 0.861 57.311 56.400 0.084 0.000 0.801 196 E CB -0.196 29.638 29.700 0.224 0.000 0.750 196 E HN 0.238 nan 8.360 nan 0.000 0.452 197 L N -0.237 120.730 121.223 -0.427 0.000 2.017 197 L HA -0.151 4.105 4.340 -0.140 0.000 0.208 197 L C 2.249 178.847 176.870 -0.453 0.000 1.073 197 L CA 1.240 55.478 54.840 -1.004 0.000 0.745 197 L CB -0.164 41.572 42.059 -0.538 0.000 0.894 197 L HN 0.220 nan 8.230 nan 0.000 0.432 198 L N -1.008 120.114 121.223 -0.169 0.000 2.056 198 L HA -0.233 4.023 4.340 -0.140 0.000 0.207 198 L C 2.673 179.458 176.870 -0.142 0.000 1.078 198 L CA 1.363 56.162 54.840 -0.069 0.000 0.749 198 L CB -0.433 41.698 42.059 0.121 0.000 0.901 198 L HN 0.336 nan 8.230 nan 0.000 0.433 199 M N -0.822 118.669 119.600 -0.183 0.000 2.108 199 M HA -0.191 4.205 4.480 -0.140 0.000 0.261 199 M C 2.241 178.480 176.300 -0.103 0.000 1.066 199 M CA 1.512 56.662 55.300 -0.250 0.000 1.107 199 M CB -0.397 32.099 32.600 -0.174 0.000 1.356 199 M HN 0.183 nan 8.290 nan 0.000 0.406 200 E N -0.310 119.875 120.200 -0.025 0.000 2.072 200 E HA -0.186 4.080 4.350 -0.140 0.000 0.191 200 E C 1.770 178.501 176.600 0.217 0.000 0.985 200 E CA 1.282 57.768 56.400 0.143 0.000 0.801 200 E CB -0.538 29.333 29.700 0.284 0.000 0.750 200 E HN 0.524 nan 8.360 nan 0.000 0.452 201 Y N 1.373 121.615 120.300 -0.098 0.000 2.145 201 Y HA -0.156 4.310 4.550 -0.141 0.000 0.286 201 Y C 2.278 178.178 175.900 0.000 0.000 1.145 201 Y CA 1.170 59.111 58.100 -0.265 0.000 1.148 201 Y CB -0.508 37.598 38.460 -0.590 0.000 0.981 201 Y HN -0.033 nan 8.280 nan 0.000 0.507 202 L N 0.179 121.316 121.223 -0.143 0.000 2.042 202 L HA -0.290 3.966 4.340 -0.140 0.000 0.210 202 L C 2.267 179.075 176.870 -0.104 0.000 1.076 202 L CA 2.037 56.749 54.840 -0.212 0.000 0.749 202 L CB -0.564 41.345 42.059 -0.249 0.000 0.893 202 L HN 0.341 nan 8.230 nan 0.000 0.432 203 N N 0.049 118.725 118.700 -0.040 0.000 2.084 203 N HA -0.291 4.366 4.740 -0.140 0.000 0.190 203 N C 1.806 177.326 175.510 0.017 0.000 1.030 203 N CA 1.574 54.622 53.050 -0.004 0.000 0.849 203 N CB -0.384 38.125 38.487 0.037 0.000 1.012 203 N HN 0.295 nan 8.380 nan 0.000 0.423 204 F N 0.230 120.124 119.950 -0.093 0.000 2.095 204 F HA -0.150 4.293 4.527 -0.141 0.000 0.298 204 F C 2.230 177.876 175.800 -0.256 0.000 1.104 204 F CA 1.599 59.507 58.000 -0.153 0.000 1.232 204 F CB -0.600 38.362 39.000 -0.062 0.000 0.987 204 F HN 0.212 nan 8.300 nan 0.000 0.475 205 W N 1.387 122.351 121.300 -0.559 0.000 2.363 205 W HA -0.206 4.369 4.660 -0.142 0.000 0.296 205 W C 2.061 178.301 176.519 -0.466 0.000 1.212 205 W CA 1.766 58.722 57.345 -0.648 0.000 1.260 205 W CB -0.486 28.628 29.460 -0.577 0.000 1.131 205 W HN 0.169 nan 8.180 nan 0.000 0.530 206 Q N 0.322 120.092 119.800 -0.051 0.000 2.084 206 Q HA -0.217 4.039 4.340 -0.140 0.000 0.202 206 Q C 2.096 177.990 176.000 -0.178 0.000 0.978 206 Q CA 1.957 57.717 55.803 -0.072 0.000 0.844 206 Q CB -0.989 27.715 28.738 -0.056 0.000 0.898 206 Q HN 0.554 nan 8.270 nan 0.000 0.426 207 Q N 0.107 119.763 119.800 -0.241 0.000 2.378 207 Q HA 0.023 4.279 4.340 -0.140 0.000 0.205 207 Q C 0.105 175.886 176.000 -0.364 0.000 0.954 207 Q CA 0.646 56.299 55.803 -0.251 0.000 0.901 207 Q CB 0.348 28.966 28.738 -0.199 0.000 0.981 207 Q HN 0.166 nan 8.270 nan 0.000 0.483 208 K N 1.182 121.237 120.400 -0.574 0.000 3.146 208 K HA 0.232 4.468 4.320 -0.140 0.000 0.168 208 K C -1.056 175.120 176.600 -0.707 0.000 1.075 208 K CA -0.139 55.762 56.287 -0.644 0.000 0.843 208 K CB 1.379 33.320 32.500 -0.932 0.000 1.002 208 K HN -0.115 nan 8.250 nan 0.000 0.597 209 T N 3.470 117.696 114.554 -0.548 0.000 2.784 209 T HA 0.105 4.372 4.350 -0.140 0.000 0.291 209 T C -2.305 172.076 174.700 -0.532 0.000 0.942 209 T CA -0.984 60.743 62.100 -0.621 0.000 1.161 209 T CB 0.167 68.835 68.868 -0.334 0.000 0.885 209 T HN 0.094 nan 8.240 nan 0.000 0.534 210 P HA 0.095 nan 4.420 nan 0.000 0.267 210 P C 0.478 177.642 177.300 -0.227 0.000 1.200 210 P CA -0.176 62.670 63.100 -0.424 0.000 0.772 210 P CB 0.657 32.041 31.700 -0.525 0.000 0.855 211 V N 2.862 122.705 119.914 -0.119 0.000 2.690 211 V HA 0.086 4.122 4.120 -0.140 0.000 0.240 211 V C 0.848 176.940 176.094 -0.003 0.000 1.078 211 V CA 1.117 63.395 62.300 -0.037 0.000 1.102 211 V CB -0.021 31.805 31.823 0.006 0.000 0.800 211 V HN 0.415 nan 8.190 nan 0.000 0.479 212 I N 1.881 122.454 120.570 0.004 0.000 2.362 212 I HA 0.421 4.507 4.170 -0.140 0.000 0.289 212 I C -0.933 175.207 176.117 0.038 0.000 0.994 212 I CA -0.496 60.827 61.300 0.039 0.000 1.158 212 I CB 1.489 39.527 38.000 0.063 0.000 1.315 212 I HN 0.080 nan 8.210 nan 0.000 0.451 213 L N 6.718 127.983 121.223 0.069 0.000 2.305 213 L HA 0.669 4.925 4.340 -0.140 0.000 0.284 213 L C -0.059 176.931 176.870 0.201 0.000 1.013 213 L CA 0.510 55.411 54.840 0.102 0.000 0.819 213 L CB 1.571 43.698 42.059 0.114 0.000 1.227 213 L HN 0.750 nan 8.230 nan 0.000 0.417 214 T N 2.552 117.262 114.554 0.259 0.000 2.626 214 T HA 0.964 5.230 4.350 -0.140 0.000 0.279 214 T C -0.463 174.457 174.700 0.367 0.000 0.983 214 T CA -0.047 62.241 62.100 0.313 0.000 1.059 214 T CB 1.304 70.379 68.868 0.345 0.000 1.396 214 T HN 1.173 nan 8.240 nan 0.000 0.519 215 G N -0.234 108.784 108.800 0.363 0.000 2.325 215 G HA2 0.126 4.002 3.960 -0.140 0.000 0.285 215 G HA3 0.126 4.002 3.960 -0.140 0.000 0.285 215 G C -1.982 173.132 174.900 0.358 0.000 1.303 215 G CA -0.428 44.867 45.100 0.326 0.000 0.970 215 G HN 0.724 nan 8.290 nan 0.000 0.490 216 W N 1.771 123.138 121.300 0.112 0.000 2.291 216 W HA 0.487 5.063 4.660 -0.140 0.000 0.312 216 W C 0.740 177.316 176.519 0.094 0.000 1.061 216 W CA 0.222 57.635 57.345 0.112 0.000 1.296 216 W CB 0.979 30.472 29.460 0.055 0.000 1.223 216 W HN 0.929 nan 8.180 nan 0.000 0.421 217 N N 2.727 121.289 118.700 -0.231 0.000 2.782 217 N HA -0.266 4.390 4.740 -0.140 0.000 0.251 217 N C 0.885 176.444 175.510 0.082 0.000 1.101 217 N CA 1.424 54.422 53.050 -0.086 0.000 0.764 217 N CB -1.081 37.431 38.487 0.043 0.000 1.122 217 N HN 0.289 nan 8.380 nan 0.000 0.561 218 V N -3.090 116.872 119.914 0.081 0.000 2.626 218 V HA -0.118 3.918 4.120 -0.140 0.000 0.252 218 V C 1.880 178.064 176.094 0.149 0.000 1.067 218 V CA 2.302 64.676 62.300 0.124 0.000 1.081 218 V CB -0.380 31.566 31.823 0.205 0.000 0.686 218 V HN 0.484 nan 8.190 nan 0.000 0.468 219 E N 1.761 122.014 120.200 0.088 0.000 2.158 219 E HA -0.140 4.126 4.350 -0.140 0.000 0.191 219 E C 2.084 178.718 176.600 0.057 0.000 0.982 219 E CA 1.236 57.670 56.400 0.056 0.000 0.823 219 E CB -0.072 29.619 29.700 -0.016 0.000 0.766 219 E HN 0.855 nan 8.360 nan 0.000 0.468 220 S N -1.549 114.200 115.700 0.082 0.000 2.535 220 S HA 0.119 4.506 4.470 -0.140 0.000 0.214 220 S C 1.005 175.767 174.600 0.270 0.000 0.980 220 S CA -0.480 57.793 58.200 0.123 0.000 0.907 220 S CB 0.181 63.429 63.200 0.080 0.000 0.790 220 S HN 0.381 nan 8.310 nan 0.000 0.510 221 F N 0.832 120.853 119.950 0.119 0.000 1.941 221 F HA 0.599 5.041 4.527 -0.141 0.000 0.230 221 F C 2.244 178.141 175.800 0.162 0.000 1.181 221 F CA 0.375 58.477 58.000 0.170 0.000 1.294 221 F CB -0.446 38.661 39.000 0.179 0.000 1.748 221 F HN 0.096 nan 8.300 nan 0.000 0.419 222 A N 1.753 124.568 122.820 -0.008 0.000 1.881 222 A HA -0.235 4.001 4.320 -0.140 0.000 0.219 222 A C 2.094 179.719 177.584 0.069 0.000 1.215 222 A CA 2.698 54.641 52.037 -0.156 0.000 0.648 222 A CB -1.543 17.248 19.000 -0.348 0.000 0.832 222 A HN 0.546 nan 8.150 nan 0.000 0.455 223 I N -0.207 120.497 120.570 0.222 0.000 2.113 223 I HA -0.176 3.910 4.170 -0.140 0.000 0.238 223 I C -0.512 175.692 176.117 0.145 0.000 1.070 223 I CA 1.676 63.145 61.300 0.282 0.000 1.332 223 I CB -1.267 36.886 38.000 0.255 0.000 1.044 223 I HN 0.231 nan 8.210 nan 0.000 0.402 224 P HA -0.190 nan 4.420 nan 0.000 0.218 224 P C 1.509 178.819 177.300 0.018 0.000 1.149 224 P CA 1.395 64.525 63.100 0.050 0.000 0.817 224 P CB -0.099 31.620 31.700 0.032 0.000 0.785 225 Y N 0.110 120.302 120.300 -0.181 0.000 2.163 225 Y HA -0.172 4.294 4.550 -0.141 0.000 0.288 225 Y C 2.180 178.006 175.900 -0.123 0.000 1.136 225 Y CA 1.295 59.240 58.100 -0.258 0.000 1.147 225 Y CB -0.899 37.166 38.460 -0.658 0.000 0.987 225 Y HN -0.299 nan 8.280 nan 0.000 0.509 226 V N -0.611 119.391 119.914 0.145 0.000 2.343 226 V HA -0.311 3.725 4.120 -0.140 0.000 0.247 226 V C 1.980 178.099 176.094 0.042 0.000 1.051 226 V CA 2.126 64.503 62.300 0.128 0.000 1.036 226 V CB -1.048 30.886 31.823 0.185 0.000 0.654 226 V HN 0.526 nan 8.190 nan 0.000 0.451 227 Y N 1.857 122.118 120.300 -0.065 0.000 2.114 227 Y HA -0.235 4.232 4.550 -0.138 0.000 0.284 227 Y C 2.571 178.410 175.900 -0.102 0.000 1.143 227 Y CA 2.148 60.191 58.100 -0.095 0.000 1.135 227 Y CB -0.339 38.072 38.460 -0.081 0.000 0.980 227 Y HN 0.270 nan 8.280 nan 0.000 0.499 228 N N 0.121 118.786 118.700 -0.059 0.000 2.244 228 N HA -0.150 4.507 4.740 -0.140 0.000 0.183 228 N C 1.931 177.292 175.510 -0.248 0.000 1.016 228 N CA 1.162 54.103 53.050 -0.181 0.000 0.866 228 N CB -0.393 38.004 38.487 -0.151 0.000 0.980 228 N HN 0.248 nan 8.380 nan 0.000 0.430 229 R N 1.408 121.756 120.500 -0.253 0.000 2.081 229 R HA 0.116 4.373 4.340 -0.140 0.000 0.235 229 R C 2.080 178.320 176.300 -0.100 0.000 1.131 229 R CA 0.965 56.954 56.100 -0.184 0.000 0.960 229 R CB -0.608 29.649 30.300 -0.072 0.000 0.856 229 R HN 0.210 nan 8.270 nan 0.000 0.436 230 I N 0.359 120.883 120.570 -0.076 0.000 2.353 230 I HA -0.218 3.869 4.170 -0.140 0.000 0.248 230 I C 2.387 178.481 176.117 -0.038 0.000 1.119 230 I CA 1.249 62.573 61.300 0.040 0.000 1.417 230 I CB -0.325 37.653 38.000 -0.037 0.000 1.078 230 I HN 0.251 nan 8.210 nan 0.000 0.421 231 K N 1.220 121.474 120.400 -0.242 0.000 2.026 231 K HA -0.198 4.039 4.320 -0.140 0.000 0.208 231 K C 1.838 178.344 176.600 -0.157 0.000 1.048 231 K CA 1.690 57.824 56.287 -0.256 0.000 0.929 231 K CB -0.011 32.252 32.500 -0.394 0.000 0.713 231 K HN 0.232 nan 8.250 nan 0.000 0.439 232 N N 0.687 119.289 118.700 -0.163 0.000 2.309 232 N HA -0.094 4.562 4.740 -0.140 0.000 0.182 232 N C 1.747 177.152 175.510 -0.175 0.000 1.018 232 N CA 1.119 54.080 53.050 -0.148 0.000 0.876 232 N CB -0.002 38.396 38.487 -0.149 0.000 0.972 232 N HN 0.323 nan 8.380 nan 0.000 0.434 233 I N -1.337 119.097 120.570 -0.226 0.000 2.628 233 I HA -0.024 4.062 4.170 -0.140 0.000 0.255 233 I C 0.868 176.635 176.117 -0.584 0.000 1.119 233 I CA 0.711 61.745 61.300 -0.443 0.000 1.448 233 I CB 0.054 37.682 38.000 -0.620 0.000 1.133 233 I HN -0.077 nan 8.210 nan 0.000 0.438 234 F N 0.646 120.537 119.950 -0.098 0.000 2.717 234 F HA 0.443 4.886 4.527 -0.140 0.000 0.295 234 F C 1.060 176.806 175.800 -0.091 0.000 1.117 234 F CA 0.272 58.220 58.000 -0.087 0.000 1.361 234 F CB 0.404 39.349 39.000 -0.091 0.000 1.112 234 F HN 0.051 nan 8.300 nan 0.000 0.594 235 G N 0.680 109.500 108.800 0.033 0.000 2.576 235 G HA2 -0.156 3.720 3.960 -0.140 0.000 0.686 235 G HA3 -0.156 3.720 3.960 -0.140 0.000 0.686 235 G C 0.138 175.006 174.900 -0.053 0.000 1.242 235 G CA -0.371 44.720 45.100 -0.016 0.000 0.819 235 G HN 0.140 nan 8.290 nan 0.000 0.655 236 E N -0.109 120.049 120.200 -0.070 0.000 2.118 236 E HA -0.134 4.132 4.350 -0.140 0.000 0.195 236 E C 2.475 179.036 176.600 -0.066 0.000 0.992 236 E CA 1.696 58.041 56.400 -0.092 0.000 0.804 236 E CB -0.104 29.573 29.700 -0.038 0.000 0.741 236 E HN 0.458 nan 8.360 nan 0.000 0.458 237 S N -0.266 115.411 115.700 -0.037 0.000 2.399 237 S HA -0.127 4.259 4.470 -0.140 0.000 0.231 237 S C 1.927 176.497 174.600 -0.050 0.000 1.022 237 S CA 1.499 59.682 58.200 -0.029 0.000 0.983 237 S CB -0.216 62.972 63.200 -0.019 0.000 0.803 237 S HN 0.353 nan 8.310 nan 0.000 0.480 238 T N 2.137 116.654 114.554 -0.062 0.000 2.812 238 T HA 0.054 4.320 4.350 -0.140 0.000 0.264 238 T C 2.173 176.782 174.700 -0.151 0.000 1.042 238 T CA 1.088 63.127 62.100 -0.102 0.000 1.140 238 T CB -0.435 68.388 68.868 -0.075 0.000 0.870 238 T HN 0.447 nan 8.240 nan 0.000 0.445 239 A N 1.828 124.535 122.820 -0.189 0.000 1.972 239 A HA -0.092 4.144 4.320 -0.140 0.000 0.219 239 A C 2.182 179.707 177.584 -0.098 0.000 1.169 239 A CA 1.312 53.162 52.037 -0.312 0.000 0.635 239 A CB -0.420 18.128 19.000 -0.754 0.000 0.810 239 A HN 0.424 nan 8.150 nan 0.000 0.446 240 K N -0.464 119.930 120.400 -0.010 0.000 2.362 240 K HA -0.045 4.191 4.320 -0.140 0.000 0.200 240 K C 1.719 178.324 176.600 0.007 0.000 1.046 240 K CA 0.664 57.003 56.287 0.087 0.000 0.952 240 K CB -0.106 32.430 32.500 0.059 0.000 0.753 240 K HN 0.418 nan 8.250 nan 0.000 0.466 241 R N 0.596 121.058 120.500 -0.064 0.000 2.328 241 R HA -0.002 4.254 4.340 -0.140 0.000 0.207 241 R C 1.693 177.913 176.300 -0.134 0.000 1.056 241 R CA 0.445 56.493 56.100 -0.088 0.000 1.016 241 R CB -0.159 30.072 30.300 -0.115 0.000 0.872 241 R HN 0.201 nan 8.270 nan 0.000 0.471 242 L N 0.391 121.496 121.223 -0.196 0.000 2.551 242 L HA -0.004 4.252 4.340 -0.140 0.000 0.228 242 L C 0.953 177.814 176.870 -0.015 0.000 1.153 242 L CA 0.330 54.918 54.840 -0.419 0.000 0.851 242 L CB 0.063 41.842 42.059 -0.466 0.000 0.959 242 L HN -0.021 nan 8.230 nan 0.000 0.451 243 S N -0.286 115.435 115.700 0.035 0.000 2.454 243 S HA 0.344 4.730 4.470 -0.140 0.000 0.306 243 S C -1.572 173.017 174.600 -0.018 0.000 1.100 243 S CA -1.632 56.606 58.200 0.063 0.000 1.087 243 S CB 1.450 64.697 63.200 0.077 0.000 1.019 243 S HN -0.103 nan 8.310 nan 0.000 0.480 244 P HA -0.071 nan 4.420 nan 0.000 0.225 244 P C 0.222 177.324 177.300 -0.330 0.000 1.148 244 P CA 1.080 64.030 63.100 -0.251 0.000 0.779 244 P CB -0.081 31.399 31.700 -0.367 0.000 0.780 245 H N -0.555 118.471 119.070 -0.074 0.000 2.592 245 H HA 0.272 4.744 4.556 -0.140 0.000 0.279 245 H C 0.627 175.821 175.328 -0.224 0.000 1.089 245 H CA -0.278 55.616 56.048 -0.256 0.000 1.150 245 H CB 0.205 29.638 29.762 -0.547 0.000 1.575 245 H HN 0.003 nan 8.280 nan 0.000 0.547 246 R N 0.959 121.435 120.500 -0.041 0.000 3.627 246 R HA -0.142 4.114 4.340 -0.140 0.000 0.281 246 R C -0.602 175.683 176.300 -0.023 0.000 1.140 246 R CA 0.497 56.582 56.100 -0.025 0.000 0.761 246 R CB -1.727 28.553 30.300 -0.034 0.000 1.181 246 R HN 0.257 nan 8.270 nan 0.000 0.472 247 K N 0.981 121.380 120.400 -0.002 0.000 2.376 247 K HA 0.449 4.685 4.320 -0.140 0.000 0.257 247 K C 0.649 177.399 176.600 0.250 0.000 0.939 247 K CA -0.329 55.949 56.287 -0.014 0.000 0.809 247 K CB 2.447 34.769 32.500 -0.297 0.000 1.121 247 K HN 0.267 nan 8.250 nan 0.000 0.425 248 T N -0.544 114.149 114.554 0.232 0.000 2.838 248 T HA 0.699 4.965 4.350 -0.140 0.000 0.292 248 T C -0.858 173.987 174.700 0.241 0.000 1.113 248 T CA -1.035 61.206 62.100 0.235 0.000 1.008 248 T CB 2.508 71.383 68.868 0.012 0.000 1.259 248 T HN 0.571 nan 8.240 nan 0.000 0.520 249 R N 0.741 121.291 120.500 0.082 0.000 2.523 249 R HA 0.564 4.820 4.340 -0.140 0.000 0.278 249 R C -2.170 174.089 176.300 -0.067 0.000 1.150 249 R CA -0.643 55.500 56.100 0.071 0.000 0.987 249 R CB 1.865 32.279 30.300 0.190 0.000 1.232 249 R HN 0.606 nan 8.270 nan 0.000 0.424 250 V N 3.543 123.430 119.914 -0.045 0.000 2.318 250 V HA 0.446 4.483 4.120 -0.140 0.000 0.271 250 V C 0.334 176.408 176.094 -0.034 0.000 1.030 250 V CA -0.530 61.732 62.300 -0.063 0.000 0.844 250 V CB 0.805 32.617 31.823 -0.020 0.000 1.015 250 V HN 0.807 nan 8.190 nan 0.000 0.460 251 K N 4.722 125.092 120.400 -0.050 0.000 2.248 251 K HA 0.678 4.914 4.320 -0.140 0.000 0.281 251 K C 0.054 176.634 176.600 -0.033 0.000 1.054 251 K CA -0.236 56.028 56.287 -0.039 0.000 0.903 251 K CB 1.024 33.492 32.500 -0.053 0.000 1.077 251 K HN 0.839 nan 8.250 nan 0.000 0.474 261 E N 1.466 121.674 120.200 0.012 0.000 2.260 261 E HA 0.582 4.848 4.350 -0.140 0.000 0.266 261 E C -1.529 175.060 176.600 -0.019 0.000 0.887 261 E CA -0.934 55.465 56.400 -0.003 0.000 0.777 261 E CB 1.640 31.346 29.700 0.010 0.000 1.205 261 E HN 0.633 nan 8.360 nan 0.000 0.414 262 I N 5.856 126.398 120.570 -0.047 0.000 2.354 262 I HA 0.328 4.414 4.170 -0.140 0.000 0.286 262 I C -1.409 174.641 176.117 -0.111 0.000 1.007 262 I CA -0.722 60.534 61.300 -0.072 0.000 1.167 262 I CB 0.672 38.622 38.000 -0.083 0.000 1.320 262 I HN 0.421 nan 8.210 nan 0.000 0.458 263 I N 7.088 127.574 120.570 -0.139 0.000 2.315 263 I HA 0.269 4.356 4.170 -0.140 0.000 0.291 263 I C 0.244 176.221 176.117 -0.235 0.000 1.006 263 I CA -0.183 60.968 61.300 -0.248 0.000 1.265 263 I CB 0.877 38.661 38.000 -0.359 0.000 1.387 263 I HN 0.509 nan 8.210 nan 0.000 0.475 264 T N 7.916 122.311 114.554 -0.266 0.000 2.749 264 T HA 0.513 4.780 4.350 -0.140 0.000 0.287 264 T C 0.245 174.756 174.700 -0.315 0.000 0.970 264 T CA -0.387 61.522 62.100 -0.319 0.000 0.980 264 T CB 0.716 69.313 68.868 -0.451 0.000 0.924 264 T HN 0.263 nan 8.240 nan 0.000 0.456 265 L N 4.644 125.731 121.223 -0.227 0.000 2.297 265 L HA 0.454 4.710 4.340 -0.140 0.000 0.277 265 L C -0.312 176.523 176.870 -0.058 0.000 1.040 265 L CA -0.827 53.964 54.840 -0.082 0.000 0.867 265 L CB 0.039 42.106 42.059 0.013 0.000 1.244 265 L HN 0.571 nan 8.230 nan 0.000 0.433 266 F N 2.075 122.031 119.950 0.011 0.000 2.608 266 F HA 0.266 4.711 4.527 -0.136 0.000 0.380 266 F C 1.544 177.406 175.800 0.102 0.000 1.083 266 F CA 1.366 59.407 58.000 0.068 0.000 1.266 266 F CB 0.605 39.647 39.000 0.069 0.000 1.076 266 F HN 0.730 nan 8.300 nan 0.000 0.574 267 G N 2.885 111.871 108.800 0.310 0.000 2.176 267 G HA2 -0.243 3.633 3.960 -0.140 0.000 0.232 267 G HA3 -0.243 3.633 3.960 -0.140 0.000 0.232 267 G C -0.231 174.716 174.900 0.079 0.000 0.986 267 G CA -0.268 44.950 45.100 0.198 0.000 0.643 267 G HN 0.554 nan 8.290 nan 0.000 0.522 268 I N 1.142 121.755 120.570 0.071 0.000 2.545 268 I HA 0.480 4.566 4.170 -0.140 0.000 0.292 268 I C -0.350 175.794 176.117 0.044 0.000 1.040 268 I CA -0.848 60.482 61.300 0.050 0.000 1.068 268 I CB 2.350 40.394 38.000 0.073 0.000 1.251 268 I HN 0.006 nan 8.210 nan 0.000 0.424 269 S N 4.650 120.378 115.700 0.048 0.000 2.423 269 S HA 0.369 4.755 4.470 -0.140 0.000 0.317 269 S C -0.224 174.415 174.600 0.065 0.000 1.065 269 S CA -0.540 57.689 58.200 0.049 0.000 1.111 269 S CB 1.026 64.253 63.200 0.046 0.000 0.968 269 S HN 0.276 nan 8.310 nan 0.000 0.474 270 V N 5.817 125.773 119.914 0.070 0.000 2.432 270 V HA 0.306 4.342 4.120 -0.140 0.000 0.271 270 V C -0.039 176.135 176.094 0.134 0.000 1.046 270 V CA -0.239 62.121 62.300 0.100 0.000 0.945 270 V CB 0.567 32.438 31.823 0.081 0.000 0.992 270 V HN 0.736 nan 8.190 nan 0.000 0.471 271 L N 4.236 125.555 121.223 0.161 0.000 2.502 271 L HA 0.382 4.639 4.340 -0.140 0.000 0.247 271 L C 0.115 177.095 176.870 0.183 0.000 1.180 271 L CA -0.467 54.500 54.840 0.212 0.000 0.956 271 L CB 0.991 43.142 42.059 0.154 0.000 1.282 271 L HN 0.567 nan 8.230 nan 0.000 0.470 272 D N 0.552 121.024 120.400 0.120 0.000 2.531 272 D HA -0.157 4.399 4.640 -0.140 0.000 0.239 272 D C 0.755 177.078 176.300 0.037 0.000 1.144 272 D CA 0.526 54.562 54.000 0.059 0.000 0.869 272 D CB 0.849 41.610 40.800 -0.065 0.000 1.160 272 D HN 0.314 nan 8.370 nan 0.000 0.484 273 Y N 3.693 124.014 120.300 0.035 0.000 2.333 273 Y HA -0.137 4.333 4.550 -0.134 0.000 0.290 273 Y C 2.173 177.989 175.900 -0.139 0.000 1.144 273 Y CA 0.905 59.067 58.100 0.104 0.000 1.228 273 Y CB -0.024 38.611 38.460 0.292 0.000 0.985 273 Y HN 0.586 nan 8.280 nan 0.000 0.542 274 I N -0.582 119.656 120.570 -0.554 0.000 2.286 274 I HA -0.310 3.776 4.170 -0.140 0.000 0.248 274 I C 1.616 177.531 176.117 -0.337 0.000 1.115 274 I CA 1.734 62.528 61.300 -0.844 0.000 1.392 274 I CB -0.143 37.202 38.000 -1.092 0.000 1.065 274 I HN 0.165 nan 8.210 nan 0.000 0.418 275 D N 0.537 120.775 120.400 -0.269 0.000 2.123 275 D HA -0.111 4.445 4.640 -0.140 0.000 0.200 275 D C 2.326 178.617 176.300 -0.015 0.000 0.976 275 D CA 1.093 54.954 54.000 -0.232 0.000 0.831 275 D CB -0.151 40.405 40.800 -0.406 0.000 0.974 275 D HN 0.367 nan 8.370 nan 0.000 0.469 276 L N -0.018 121.224 121.223 0.031 0.000 2.046 276 L HA -0.219 4.037 4.340 -0.140 0.000 0.208 276 L C 2.528 179.292 176.870 -0.177 0.000 1.077 276 L CA 1.087 55.889 54.840 -0.064 0.000 0.747 276 L CB -0.456 41.426 42.059 -0.294 0.000 0.896 276 L HN 0.053 nan 8.230 nan 0.000 0.432 277 Y N 0.981 121.223 120.300 -0.097 0.000 2.128 277 Y HA -0.287 4.182 4.550 -0.134 0.000 0.284 277 Y C 2.574 178.460 175.900 -0.023 0.000 1.154 277 Y CA 1.723 59.919 58.100 0.161 0.000 1.149 277 Y CB -0.023 38.716 38.460 0.466 0.000 0.976 277 Y HN 0.015 nan 8.280 nan 0.000 0.505 278 K N -0.408 119.971 120.400 -0.035 0.000 2.148 278 K HA -0.176 4.060 4.320 -0.140 0.000 0.204 278 K C 2.046 178.400 176.600 -0.410 0.000 1.050 278 K CA 1.418 57.580 56.287 -0.209 0.000 0.942 278 K CB -0.106 32.209 32.500 -0.308 0.000 0.724 278 K HN 0.068 nan 8.250 nan 0.000 0.446 279 K N 0.605 120.701 120.400 -0.507 0.000 2.103 279 K HA -0.055 4.182 4.320 -0.140 0.000 0.204 279 K C 1.086 176.977 176.600 -1.182 0.000 1.052 279 K CA 1.469 57.272 56.287 -0.806 0.000 0.945 279 K CB 0.056 32.041 32.500 -0.860 0.000 0.722 279 K HN 0.077 nan 8.250 nan 0.000 0.443 280 F N -0.310 119.145 119.950 -0.825 0.000 2.706 280 F HA 0.193 4.663 4.527 -0.096 0.000 0.308 280 F C 1.781 177.157 175.800 -0.708 0.000 1.095 280 F CA 0.031 57.440 58.000 -0.985 0.000 1.244 280 F CB 0.484 38.663 39.000 -1.369 0.000 1.063 280 F HN 0.062 nan 8.300 nan 0.000 0.582 281 S N -0.359 115.062 115.700 -0.465 0.000 2.496 281 S HA -0.088 4.298 4.470 -0.140 0.000 0.224 281 S C 0.641 175.281 174.600 0.066 0.000 0.996 281 S CA -0.044 58.078 58.200 -0.130 0.000 0.927 281 S CB -0.923 61.875 63.200 -0.671 0.000 0.774 281 S HN 0.266 nan 8.310 nan 0.000 0.524 282 F N 2.562 122.478 119.950 -0.055 0.000 2.969 282 F HA -0.174 4.309 4.527 -0.073 0.000 0.273 282 F C 0.679 176.487 175.800 0.013 0.000 0.986 282 F CA 0.866 58.863 58.000 -0.005 0.000 0.926 282 F CB -2.432 36.589 39.000 0.035 0.000 0.887 282 F HN 0.583 nan 8.300 nan 0.000 0.816 283 T N -3.004 111.592 114.554 0.070 0.000 2.841 283 T HA 0.669 4.935 4.350 -0.140 0.000 0.296 283 T C -0.942 173.801 174.700 0.071 0.000 1.166 283 T CA -1.043 61.098 62.100 0.068 0.000 1.007 283 T CB 2.576 71.455 68.868 0.019 0.000 1.253 283 T HN 0.105 nan 8.240 nan 0.000 0.511 284 N N 1.598 120.324 118.700 0.044 0.000 2.576 284 N HA 0.251 4.907 4.740 -0.140 0.000 0.269 284 N C -1.054 174.432 175.510 -0.040 0.000 1.058 284 N CA -0.378 52.715 53.050 0.071 0.000 0.860 284 N CB 1.485 39.998 38.487 0.043 0.000 1.249 284 N HN 0.546 nan 8.380 nan 0.000 0.525 285 Q N 2.466 122.176 119.800 -0.150 0.000 2.259 285 Q HA 0.358 4.615 4.340 -0.140 0.000 0.246 285 Q C -1.614 174.104 176.000 -0.471 0.000 0.920 285 Q CA -1.522 54.010 55.803 -0.453 0.000 0.895 285 Q CB 1.186 29.406 28.738 -0.863 0.000 1.220 285 Q HN 0.392 nan 8.270 nan 0.000 0.439 286 P HA -0.051 nan 4.420 nan 0.000 0.223 286 P C 0.048 176.947 177.300 -0.669 0.000 1.151 286 P CA 0.928 63.739 63.100 -0.482 0.000 0.787 286 P CB 0.519 31.981 31.700 -0.397 0.000 0.788 287 S N -2.177 112.953 115.700 -0.951 0.000 2.537 287 S HA 0.412 4.799 4.470 -0.140 0.000 0.270 287 S C -1.348 172.838 174.600 -0.689 0.000 1.142 287 S CA -0.527 57.218 58.200 -0.757 0.000 0.870 287 S CB 0.391 63.072 63.200 -0.864 0.000 1.112 287 S HN -0.150 nan 8.310 nan 0.000 0.466 288 Y N 2.291 122.528 120.300 -0.106 0.000 2.734 288 Y HA 0.310 4.777 4.550 -0.138 0.000 0.278 288 Y C 1.100 177.171 175.900 0.285 0.000 1.108 288 Y CA -0.348 57.825 58.100 0.122 0.000 1.211 288 Y CB 0.511 39.055 38.460 0.140 0.000 1.182 288 Y HN 0.660 nan 8.280 nan 0.000 0.547 289 S N -0.685 115.123 115.700 0.179 0.000 2.565 289 S HA 0.090 4.476 4.470 -0.140 0.000 0.274 289 S C 1.150 175.660 174.600 -0.150 0.000 1.309 289 S CA -0.689 57.591 58.200 0.132 0.000 1.043 289 S CB 1.375 64.614 63.200 0.064 0.000 0.939 289 S HN 0.419 nan 8.310 nan 0.000 0.504 290 L N 2.007 122.894 121.223 -0.560 0.000 2.081 290 L HA -0.106 4.150 4.340 -0.140 0.000 0.212 290 L C 1.960 178.533 176.870 -0.495 0.000 1.080 290 L CA 2.338 56.559 54.840 -1.032 0.000 0.754 290 L CB -1.218 40.256 42.059 -0.976 0.000 0.893 290 L HN 0.996 nan 8.230 nan 0.000 0.433 291 D N -2.212 118.042 120.400 -0.243 0.000 2.104 291 D HA -0.303 4.253 4.640 -0.140 0.000 0.194 291 D C 2.084 178.326 176.300 -0.096 0.000 0.994 291 D CA 1.615 55.541 54.000 -0.123 0.000 0.830 291 D CB -0.248 40.545 40.800 -0.012 0.000 0.959 291 D HN 0.495 nan 8.370 nan 0.000 0.452 292 Y N 0.431 120.640 120.300 -0.153 0.000 2.133 292 Y HA -0.128 4.338 4.550 -0.140 0.000 0.287 292 Y C 2.086 177.910 175.900 -0.127 0.000 1.134 292 Y CA 1.265 59.294 58.100 -0.117 0.000 1.133 292 Y CB -0.134 38.247 38.460 -0.132 0.000 0.987 292 Y HN 0.023 nan 8.280 nan 0.000 0.502 293 I N -0.772 119.779 120.570 -0.032 0.000 2.286 293 I HA -0.296 3.790 4.170 -0.140 0.000 0.248 293 I C 2.449 178.486 176.117 -0.134 0.000 1.115 293 I CA 1.474 62.694 61.300 -0.133 0.000 1.392 293 I CB -1.662 36.088 38.000 -0.417 0.000 1.065 293 I HN 0.186 nan 8.210 nan 0.000 0.418 294 S N 0.497 116.053 115.700 -0.240 0.000 2.359 294 S HA -0.171 4.216 4.470 -0.140 0.000 0.224 294 S C 1.868 176.386 174.600 -0.136 0.000 1.035 294 S CA 1.199 59.277 58.200 -0.204 0.000 1.018 294 S CB -0.114 62.946 63.200 -0.234 0.000 0.876 294 S HN 0.445 nan 8.310 nan 0.000 0.448 295 E N 0.387 120.496 120.200 -0.152 0.000 2.058 295 E HA -0.151 4.115 4.350 -0.140 0.000 0.194 295 E C 1.816 178.344 176.600 -0.120 0.000 0.997 295 E CA 0.972 57.278 56.400 -0.157 0.000 0.801 295 E CB -0.455 29.108 29.700 -0.229 0.000 0.746 295 E HN 0.580 nan 8.360 nan 0.000 0.450 296 F N 2.265 122.072 119.950 -0.237 0.000 2.102 296 F HA -0.186 4.268 4.527 -0.123 0.000 0.298 296 F C 2.218 177.989 175.800 -0.048 0.000 1.105 296 F CA 1.519 59.438 58.000 -0.135 0.000 1.239 296 F CB 0.160 39.120 39.000 -0.067 0.000 0.991 296 F HN -0.094 nan 8.300 nan 0.000 0.474 297 E N 0.147 120.404 120.200 0.096 0.000 2.112 297 E HA -0.016 4.250 4.350 -0.140 0.000 0.190 297 E C 2.003 178.551 176.600 -0.088 0.000 0.979 297 E CA 1.224 57.644 56.400 0.032 0.000 0.814 297 E CB -0.081 29.717 29.700 0.163 0.000 0.762 297 E HN 0.483 nan 8.360 nan 0.000 0.460 298 L N 0.033 121.192 121.223 -0.106 0.000 2.817 298 L HA 0.220 4.477 4.340 -0.140 0.000 0.248 298 L C -0.058 176.742 176.870 -0.117 0.000 1.133 298 L CA -0.259 54.511 54.840 -0.117 0.000 0.935 298 L CB 0.112 42.093 42.059 -0.130 0.000 1.266 298 L HN -0.123 nan 8.230 nan 0.000 0.535 299 N N 1.296 119.918 118.700 -0.130 0.000 2.740 299 N HA -0.131 4.525 4.740 -0.140 0.000 0.248 299 N C -0.349 175.104 175.510 -0.094 0.000 1.062 299 N CA 1.029 54.008 53.050 -0.118 0.000 0.704 299 N CB -1.222 37.198 38.487 -0.112 0.000 0.968 299 N HN 0.303 nan 8.380 nan 0.000 0.547 300 V N -2.141 117.714 119.914 -0.097 0.000 2.357 300 V HA 0.804 4.840 4.120 -0.140 0.000 0.284 300 V C 1.270 177.321 176.094 -0.072 0.000 1.018 300 V CA -0.405 61.849 62.300 -0.077 0.000 0.841 300 V CB 1.411 33.185 31.823 -0.082 0.000 0.991 300 V HN 0.232 nan 8.190 nan 0.000 0.437 301 G N 3.747 112.516 108.800 -0.052 0.000 2.583 301 G HA2 0.386 4.262 3.960 -0.140 0.000 0.230 301 G HA3 0.386 4.262 3.960 -0.140 0.000 0.230 301 G C 0.398 175.279 174.900 -0.031 0.000 1.249 301 G CA 0.240 45.315 45.100 -0.041 0.000 0.857 301 G HN 1.522 nan 8.290 nan 0.000 0.569 302 K N 1.821 122.207 120.400 -0.024 0.000 2.380 302 K HA 0.363 4.600 4.320 -0.140 0.000 0.267 302 K C 0.671 177.297 176.600 0.044 0.000 0.990 302 K CA -0.497 55.790 56.287 0.001 0.000 0.946 302 K CB 0.189 32.690 32.500 0.002 0.000 0.937 302 K HN 0.441 nan 8.250 nan 0.000 0.491 303 L N 2.513 123.802 121.223 0.111 0.000 2.485 303 L HA 0.240 4.496 4.340 -0.140 0.000 0.279 303 L C 1.193 178.192 176.870 0.215 0.000 1.124 303 L CA 0.197 55.166 54.840 0.215 0.000 0.888 303 L CB -0.941 41.358 42.059 0.400 0.000 1.217 303 L HN 0.962 nan 8.230 nan 0.000 0.464 304 K N 4.983 125.457 120.400 0.125 0.000 2.218 304 K HA 0.540 4.777 4.320 -0.140 0.000 0.276 304 K C -0.679 175.998 176.600 0.129 0.000 1.022 304 K CA -0.230 56.075 56.287 0.031 0.000 0.946 304 K CB 1.087 33.592 32.500 0.009 0.000 1.000 304 K HN 0.639 nan 8.250 nan 0.000 0.468 305 Y N -1.577 118.732 120.300 0.015 0.000 2.641 305 Y HA 0.607 5.072 4.550 -0.141 0.000 0.333 305 Y C -1.404 174.495 175.900 -0.001 0.000 1.174 305 Y CA -1.959 56.139 58.100 -0.004 0.000 1.057 305 Y CB 1.015 39.444 38.460 -0.051 0.000 1.322 305 Y HN 0.506 nan 8.280 nan 0.000 0.457 306 D N 0.915 121.442 120.400 0.212 0.000 2.181 306 D HA 0.575 5.131 4.640 -0.140 0.000 0.248 306 D C 0.475 176.888 176.300 0.188 0.000 1.020 306 D CA 1.116 55.186 54.000 0.117 0.000 0.891 306 D CB 1.613 42.457 40.800 0.073 0.000 1.187 306 D HN 1.201 nan 8.370 nan 0.000 0.443 307 G N 1.628 110.500 108.800 0.119 0.000 2.796 307 G HA2 -0.135 3.741 3.960 -0.140 0.000 0.571 307 G HA3 -0.135 3.741 3.960 -0.140 0.000 0.571 307 G C -2.732 172.278 174.900 0.184 0.000 1.370 307 G CA -1.183 43.987 45.100 0.118 0.000 0.856 307 G HN 0.440 nan 8.290 nan 0.000 0.538 308 P HA 0.382 nan 4.420 nan 0.000 0.272 308 P C 1.180 178.549 177.300 0.115 0.000 1.223 308 P CA -0.605 62.572 63.100 0.128 0.000 0.784 308 P CB 0.704 32.439 31.700 0.060 0.000 0.923 309 I N 2.360 123.000 120.570 0.118 0.000 2.454 309 I HA -0.228 3.858 4.170 -0.140 0.000 0.254 309 I C 1.683 177.766 176.117 -0.056 0.000 1.156 309 I CA 1.737 63.004 61.300 -0.055 0.000 1.433 309 I CB -0.643 37.349 38.000 -0.013 0.000 1.082 309 I HN 0.321 nan 8.210 nan 0.000 0.432 310 S N -0.622 115.059 115.700 -0.031 0.000 2.547 310 S HA -0.069 4.318 4.470 -0.140 0.000 0.235 310 S C 1.505 176.023 174.600 -0.136 0.000 0.980 310 S CA 0.690 58.835 58.200 -0.092 0.000 0.941 310 S CB -0.436 62.714 63.200 -0.084 0.000 0.763 310 S HN 0.582 nan 8.310 nan 0.000 0.532 311 K N -0.417 119.923 120.400 -0.100 0.000 2.520 311 K HA 0.348 4.584 4.320 -0.140 0.000 0.206 311 K C 0.828 177.363 176.600 -0.109 0.000 1.122 311 K CA -0.171 56.055 56.287 -0.102 0.000 1.045 311 K CB 0.291 32.760 32.500 -0.052 0.000 0.932 311 K HN 0.137 nan 8.250 nan 0.000 0.571 312 L N 1.830 122.965 121.223 -0.146 0.000 2.109 312 L HA 0.023 4.279 4.340 -0.140 0.000 0.207 312 L C 2.296 179.041 176.870 -0.207 0.000 1.086 312 L CA 1.702 56.452 54.840 -0.149 0.000 0.760 312 L CB -0.227 41.685 42.059 -0.246 0.000 0.910 312 L HN 0.084 nan 8.230 nan 0.000 0.437 313 R N -0.584 119.600 120.500 -0.527 0.000 2.081 313 R HA -0.199 4.057 4.340 -0.140 0.000 0.235 313 R C 2.291 178.463 176.300 -0.212 0.000 1.131 313 R CA 1.742 57.440 56.100 -0.670 0.000 0.960 313 R CB -0.210 29.425 30.300 -1.108 0.000 0.856 313 R HN 0.562 nan 8.270 nan 0.000 0.436 314 E N -0.120 119.974 120.200 -0.176 0.000 2.047 314 E HA -0.156 4.110 4.350 -0.140 0.000 0.191 314 E C 1.769 178.349 176.600 -0.033 0.000 0.987 314 E CA 1.680 58.032 56.400 -0.080 0.000 0.799 314 E CB 0.031 29.689 29.700 -0.070 0.000 0.752 314 E HN 0.450 nan 8.360 nan 0.000 0.449 315 S N -0.251 115.430 115.700 -0.032 0.000 2.436 315 S HA -0.038 4.348 4.470 -0.140 0.000 0.228 315 S C 1.022 175.640 174.600 0.029 0.000 1.014 315 S CA 0.417 58.619 58.200 0.002 0.000 0.950 315 S CB 0.256 63.460 63.200 0.006 0.000 0.784 315 S HN 0.099 nan 8.310 nan 0.000 0.504 316 N N 0.413 119.136 118.700 0.038 0.000 2.732 316 N HA 0.108 4.764 4.740 -0.140 0.000 0.235 316 N C 0.144 175.733 175.510 0.131 0.000 1.466 316 N CA -0.287 52.811 53.050 0.080 0.000 0.751 316 N CB -0.018 38.512 38.487 0.072 0.000 1.317 316 N HN 0.441 nan 8.380 nan 0.000 0.525 317 H N 0.757 119.863 119.070 0.059 0.000 2.352 317 H HA -0.188 4.284 4.556 -0.140 0.000 0.299 317 H C 1.266 176.742 175.328 0.247 0.000 1.097 317 H CA 2.196 58.317 56.048 0.121 0.000 1.311 317 H CB 0.624 30.447 29.762 0.102 0.000 1.377 317 H HN 0.466 nan 8.280 nan 0.000 0.504 318 Q N 1.349 121.234 119.800 0.142 0.000 2.077 318 Q HA -0.212 4.044 4.340 -0.140 0.000 0.206 318 Q C 2.602 178.723 176.000 0.202 0.000 0.989 318 Q CA 2.386 58.281 55.803 0.153 0.000 0.853 318 Q CB -0.388 28.399 28.738 0.083 0.000 0.907 318 Q HN 0.452 nan 8.270 nan 0.000 0.418 319 R N -1.501 119.090 120.500 0.152 0.000 2.090 319 R HA -0.148 4.108 4.340 -0.140 0.000 0.228 319 R C 2.141 178.535 176.300 0.158 0.000 1.110 319 R CA 1.165 57.358 56.100 0.155 0.000 0.973 319 R CB -0.592 29.782 30.300 0.124 0.000 0.869 319 R HN 0.426 nan 8.270 nan 0.000 0.440 320 Y N 0.911 121.194 120.300 -0.029 0.000 2.081 320 Y HA -0.276 4.191 4.550 -0.139 0.000 0.280 320 Y C 1.814 177.713 175.900 -0.001 0.000 1.163 320 Y CA 1.836 59.897 58.100 -0.065 0.000 1.135 320 Y CB -0.111 38.317 38.460 -0.053 0.000 0.970 320 Y HN 0.037 nan 8.280 nan 0.000 0.498 321 I N -0.862 119.709 120.570 0.001 0.000 2.202 321 I HA -0.270 3.816 4.170 -0.140 0.000 0.242 321 I C 2.456 178.430 176.117 -0.239 0.000 1.091 321 I CA 1.611 62.775 61.300 -0.227 0.000 1.368 321 I CB -1.639 36.061 38.000 -0.500 0.000 1.058 321 I HN 0.167 nan 8.210 nan 0.000 0.410 322 S N 0.222 115.915 115.700 -0.011 0.000 2.383 322 S HA -0.238 4.148 4.470 -0.140 0.000 0.229 322 S C 2.019 176.648 174.600 0.048 0.000 1.030 322 S CA 1.211 59.466 58.200 0.093 0.000 1.002 322 S CB -0.630 62.735 63.200 0.276 0.000 0.829 322 S HN 0.484 nan 8.310 nan 0.000 0.467 323 Y N 2.827 123.090 120.300 -0.062 0.000 2.165 323 Y HA -0.194 4.273 4.550 -0.139 0.000 0.286 323 Y C 2.223 178.052 175.900 -0.118 0.000 1.155 323 Y CA 1.846 59.901 58.100 -0.076 0.000 1.164 323 Y CB -0.642 37.748 38.460 -0.117 0.000 0.978 323 Y HN 0.303 nan 8.280 nan 0.000 0.513 324 N N 0.084 118.717 118.700 -0.112 0.000 2.084 324 N HA -0.217 4.440 4.740 -0.140 0.000 0.190 324 N C 1.884 177.313 175.510 -0.134 0.000 1.030 324 N CA 1.788 54.730 53.050 -0.180 0.000 0.849 324 N CB -0.238 38.157 38.487 -0.154 0.000 1.012 324 N HN 0.468 nan 8.380 nan 0.000 0.423 325 I N 1.083 121.576 120.570 -0.129 0.000 2.179 325 I HA -0.263 3.823 4.170 -0.140 0.000 0.242 325 I C 2.186 178.262 176.117 -0.068 0.000 1.088 325 I CA 1.032 62.274 61.300 -0.096 0.000 1.357 325 I CB -0.226 37.650 38.000 -0.207 0.000 1.051 325 I HN 0.183 nan 8.210 nan 0.000 0.409 326 I N 0.736 121.253 120.570 -0.088 0.000 2.361 326 I HA -0.267 3.819 4.170 -0.140 0.000 0.251 326 I C 2.770 178.851 176.117 -0.060 0.000 1.133 326 I CA 1.087 62.368 61.300 -0.032 0.000 1.413 326 I CB -0.433 37.550 38.000 -0.028 0.000 1.073 326 I HN 0.196 nan 8.210 nan 0.000 0.424 327 A N 0.438 123.145 122.820 -0.188 0.000 1.908 327 A HA -0.164 4.072 4.320 -0.140 0.000 0.218 327 A C 2.429 179.969 177.584 -0.073 0.000 1.181 327 A CA 1.814 53.712 52.037 -0.232 0.000 0.627 327 A CB -0.916 17.865 19.000 -0.365 0.000 0.818 327 A HN 0.241 nan 8.150 nan 0.000 0.445 328 V N -1.541 118.398 119.914 0.041 0.000 2.358 328 V HA -0.230 3.807 4.120 -0.140 0.000 0.246 328 V C 2.350 178.573 176.094 0.215 0.000 1.047 328 V CA 1.947 64.350 62.300 0.171 0.000 1.035 328 V CB -0.942 31.075 31.823 0.323 0.000 0.658 328 V HN 0.699 nan 8.190 nan 0.000 0.452 329 Y N 1.535 121.882 120.300 0.078 0.000 2.224 329 Y HA -0.183 4.284 4.550 -0.137 0.000 0.289 329 Y C 2.650 178.516 175.900 -0.056 0.000 1.146 329 Y CA 1.409 59.532 58.100 0.038 0.000 1.182 329 Y CB -0.275 38.130 38.460 -0.093 0.000 0.983 329 Y HN 0.099 nan 8.280 nan 0.000 0.524 330 R N -0.219 120.169 120.500 -0.187 0.000 2.083 330 R HA -0.140 4.116 4.340 -0.140 0.000 0.237 330 R C 2.384 178.494 176.300 -0.316 0.000 1.137 330 R CA 1.540 57.453 56.100 -0.311 0.000 0.951 330 R CB -1.493 28.650 30.300 -0.263 0.000 0.851 330 R HN 0.345 nan 8.270 nan 0.000 0.434 331 V N 1.727 121.503 119.914 -0.229 0.000 2.343 331 V HA -0.204 3.832 4.120 -0.140 0.000 0.247 331 V C 2.547 178.434 176.094 -0.345 0.000 1.051 331 V CA 1.495 63.631 62.300 -0.274 0.000 1.036 331 V CB -0.529 31.239 31.823 -0.092 0.000 0.654 331 V HN 0.195 nan 8.190 nan 0.000 0.451 332 L N -0.574 120.504 121.223 -0.242 0.000 2.083 332 L HA -0.237 4.019 4.340 -0.140 0.000 0.209 332 L C 2.710 179.409 176.870 -0.285 0.000 1.083 332 L CA 1.621 56.322 54.840 -0.231 0.000 0.752 332 L CB -0.541 41.408 42.059 -0.184 0.000 0.899 332 L HN 0.404 nan 8.230 nan 0.000 0.433 333 Q N -0.187 119.359 119.800 -0.424 0.000 2.079 333 Q HA -0.160 4.096 4.340 -0.140 0.000 0.200 333 Q C 2.336 178.182 176.000 -0.257 0.000 0.974 333 Q CA 1.281 56.850 55.803 -0.391 0.000 0.840 333 Q CB -0.039 28.385 28.738 -0.524 0.000 0.898 333 Q HN 0.530 nan 8.270 nan 0.000 0.430 334 I N 0.882 121.292 120.570 -0.267 0.000 2.226 334 I HA -0.271 3.815 4.170 -0.140 0.000 0.245 334 I C 1.960 177.983 176.117 -0.156 0.000 1.100 334 I CA 1.320 62.514 61.300 -0.177 0.000 1.374 334 I CB -0.188 37.711 38.000 -0.170 0.000 1.057 334 I HN 0.193 nan 8.210 nan 0.000 0.413 335 D N 0.761 121.025 120.400 -0.227 0.000 2.178 335 D HA -0.115 4.441 4.640 -0.140 0.000 0.202 335 D C 2.146 178.398 176.300 -0.079 0.000 0.974 335 D CA 1.175 55.134 54.000 -0.069 0.000 0.841 335 D CB 0.126 40.930 40.800 0.007 0.000 0.953 335 D HN 0.290 nan 8.370 nan 0.000 0.478 336 A N 0.356 123.114 122.820 -0.105 0.000 1.972 336 A HA -0.189 4.047 4.320 -0.140 0.000 0.219 336 A C 2.124 179.656 177.584 -0.087 0.000 1.169 336 A CA 1.607 53.595 52.037 -0.080 0.000 0.635 336 A CB -0.490 18.461 19.000 -0.081 0.000 0.810 336 A HN 0.235 nan 8.150 nan 0.000 0.446 337 K N -1.410 118.927 120.400 -0.106 0.000 2.099 337 K HA -0.021 4.216 4.320 -0.140 0.000 0.203 337 K C 2.073 178.585 176.600 -0.147 0.000 1.047 337 K CA 0.474 56.701 56.287 -0.101 0.000 0.963 337 K CB -0.045 32.406 32.500 -0.082 0.000 0.759 337 K HN 0.203 nan 8.250 nan 0.000 0.451 338 R N 0.436 120.788 120.500 -0.247 0.000 2.173 338 R HA 0.069 4.325 4.340 -0.140 0.000 0.208 338 R C 0.336 176.313 176.300 -0.539 0.000 1.035 338 R CA 0.383 56.146 56.100 -0.560 0.000 1.004 338 R CB -0.054 29.541 30.300 -1.176 0.000 0.917 338 R HN 0.318 nan 8.270 nan 0.000 0.462 339 Q N -0.428 119.205 119.800 -0.277 0.000 2.494 339 Q HA -0.180 4.076 4.340 -0.140 0.000 0.272 339 Q C 0.430 176.425 176.000 -0.009 0.000 1.145 339 Q CA 0.675 56.413 55.803 -0.109 0.000 0.943 339 Q CB -2.007 26.677 28.738 -0.090 0.000 1.338 339 Q HN 0.230 nan 8.270 nan 0.000 0.492 340 F N -0.520 119.463 119.950 0.056 0.000 2.293 340 F HA -0.088 4.369 4.527 -0.116 0.000 0.300 340 F C 2.279 178.004 175.800 -0.124 0.000 1.086 340 F CA 0.281 58.216 58.000 -0.110 0.000 1.375 340 F CB -0.267 38.692 39.000 -0.068 0.000 1.045 340 F HN 0.190 nan 8.300 nan 0.000 0.516 341 I N 0.126 120.811 120.570 0.192 0.000 2.163 341 I HA -0.272 3.814 4.170 -0.140 0.000 0.240 341 I C 2.112 178.246 176.117 0.029 0.000 1.081 341 I CA 1.235 62.606 61.300 0.117 0.000 1.353 341 I CB -1.200 36.905 38.000 0.174 0.000 1.054 341 I HN 0.140 nan 8.210 nan 0.000 0.407 342 N N 1.070 119.785 118.700 0.025 0.000 2.223 342 N HA -0.158 4.498 4.740 -0.140 0.000 0.185 342 N C 2.033 177.525 175.510 -0.029 0.000 1.016 342 N CA 0.861 53.916 53.050 0.009 0.000 0.863 342 N CB -0.322 38.156 38.487 -0.016 0.000 0.983 342 N HN 0.354 nan 8.380 nan 0.000 0.429 343 L N 0.783 121.958 121.223 -0.079 0.000 2.017 343 L HA -0.150 4.106 4.340 -0.140 0.000 0.208 343 L C 2.064 178.795 176.870 -0.232 0.000 1.073 343 L CA 1.161 55.895 54.840 -0.177 0.000 0.745 343 L CB -0.269 41.622 42.059 -0.281 0.000 0.894 343 L HN 0.037 nan 8.230 nan 0.000 0.432 344 S N 0.101 115.656 115.700 -0.241 0.000 2.368 344 S HA -0.170 4.217 4.470 -0.140 0.000 0.225 344 S C 1.855 176.322 174.600 -0.223 0.000 1.030 344 S CA 1.524 59.586 58.200 -0.231 0.000 0.999 344 S CB -0.377 62.707 63.200 -0.194 0.000 0.844 344 S HN 0.374 nan 8.310 nan 0.000 0.459 345 L N 1.012 122.114 121.223 -0.202 0.000 2.017 345 L HA -0.159 4.098 4.340 -0.140 0.000 0.208 345 L C 2.405 179.072 176.870 -0.338 0.000 1.073 345 L CA 1.529 56.170 54.840 -0.331 0.000 0.745 345 L CB -0.606 41.326 42.059 -0.213 0.000 0.894 345 L HN 0.242 nan 8.230 nan 0.000 0.432 346 D N -0.259 120.072 120.400 -0.115 0.000 2.123 346 D HA -0.264 4.292 4.640 -0.140 0.000 0.196 346 D C 2.289 178.587 176.300 -0.004 0.000 0.992 346 D CA 1.360 55.388 54.000 0.045 0.000 0.833 346 D CB 0.054 40.898 40.800 0.074 0.000 0.954 346 D HN 0.142 nan 8.370 nan 0.000 0.455 347 M N -0.747 118.798 119.600 -0.091 0.000 2.156 347 M HA -0.003 4.393 4.480 -0.140 0.000 0.264 347 M C 2.076 178.354 176.300 -0.037 0.000 1.067 347 M CA 1.743 57.004 55.300 -0.065 0.000 1.131 347 M CB -0.166 32.366 32.600 -0.113 0.000 1.368 347 M HN 0.138 nan 8.290 nan 0.000 0.416 348 G N -0.796 107.909 108.800 -0.158 0.000 2.418 348 G HA2 -0.248 3.628 3.960 -0.140 0.000 0.217 348 G HA3 -0.248 3.628 3.960 -0.140 0.000 0.217 348 G C 0.976 175.784 174.900 -0.152 0.000 1.158 348 G CA 0.778 45.756 45.100 -0.203 0.000 0.771 348 G HN 0.451 nan 8.290 nan 0.000 0.545 349 Y N -0.993 119.251 120.300 -0.093 0.000 2.314 349 Y HA 0.038 4.506 4.550 -0.137 0.000 0.293 349 Y C 2.393 178.328 175.900 0.059 0.000 1.129 349 Y CA 0.221 58.279 58.100 -0.070 0.000 1.201 349 Y CB -0.715 37.584 38.460 -0.268 0.000 0.999 349 Y HN 0.313 nan 8.280 nan 0.000 0.541 350 Y N 0.220 120.580 120.300 0.099 0.000 2.181 350 Y HA -0.206 4.260 4.550 -0.140 0.000 0.288 350 Y C 2.348 178.267 175.900 0.032 0.000 1.146 350 Y CA 1.571 59.706 58.100 0.057 0.000 1.164 350 Y CB -0.437 38.019 38.460 -0.008 0.000 0.982 350 Y HN 0.012 nan 8.280 nan 0.000 0.515 351 A N -0.371 122.475 122.820 0.043 0.000 2.081 351 A HA 0.095 4.331 4.320 -0.140 0.000 0.214 351 A C 0.846 178.442 177.584 0.019 0.000 1.158 351 A CA 0.655 52.669 52.037 -0.038 0.000 0.724 351 A CB -0.263 18.743 19.000 0.009 0.000 0.826 351 A HN 0.407 nan 8.150 nan 0.000 0.463 352 K N -0.508 119.948 120.400 0.093 0.000 3.335 352 K HA -0.130 4.107 4.320 -0.140 0.000 0.271 352 K C -0.490 176.153 176.600 0.071 0.000 1.105 352 K CA 0.886 57.258 56.287 0.141 0.000 0.799 352 K CB -2.153 30.395 32.500 0.081 0.000 1.309 352 K HN 0.803 nan 8.250 nan 0.000 0.469 353 I N -3.461 117.160 120.570 0.086 0.000 3.239 353 I HA 0.343 4.429 4.170 -0.140 0.000 0.314 353 I C -0.108 176.038 176.117 0.049 0.000 1.126 353 I CA -1.526 59.795 61.300 0.036 0.000 0.973 353 I CB 1.479 39.503 38.000 0.040 0.000 1.252 353 I HN -0.016 nan 8.210 nan 0.000 0.463 354 Q N 1.615 121.432 119.800 0.030 0.000 2.311 354 Q HA 0.219 4.476 4.340 -0.140 0.000 0.272 354 Q C 0.876 176.888 176.000 0.019 0.000 1.012 354 Q CA -0.522 55.316 55.803 0.058 0.000 0.891 354 Q CB 1.463 30.228 28.738 0.044 0.000 1.201 354 Q HN 0.503 nan 8.270 nan 0.000 0.391 355 I N 2.395 122.953 120.570 -0.019 0.000 2.236 355 I HA -0.345 3.741 4.170 -0.140 0.000 0.249 355 I C 2.403 178.482 176.117 -0.064 0.000 1.102 355 I CA 1.672 62.906 61.300 -0.110 0.000 1.365 355 I CB -1.328 36.577 38.000 -0.159 0.000 1.051 355 I HN 0.782 nan 8.210 nan 0.000 0.420 356 Q N 0.302 120.109 119.800 0.011 0.000 2.500 356 Q HA -0.080 4.176 4.340 -0.140 0.000 0.213 356 Q C 1.683 177.764 176.000 0.136 0.000 0.974 356 Q CA 1.144 57.007 55.803 0.098 0.000 0.918 356 Q CB -0.696 28.118 28.738 0.127 0.000 0.980 356 Q HN 0.360 nan 8.270 nan 0.000 0.505 357 S N 1.252 116.983 115.700 0.052 0.000 2.561 357 S HA -0.015 4.371 4.470 -0.140 0.000 0.225 357 S C 1.870 176.488 174.600 0.030 0.000 0.977 357 S CA 0.675 58.911 58.200 0.059 0.000 0.926 357 S CB -0.105 63.120 63.200 0.040 0.000 0.769 357 S HN 0.501 nan 8.310 nan 0.000 0.533 358 V N -1.351 118.527 119.914 -0.061 0.000 2.867 358 V HA -0.068 3.968 4.120 -0.140 0.000 0.260 358 V C 1.550 177.573 176.094 -0.119 0.000 1.099 358 V CA 1.426 63.666 62.300 -0.100 0.000 1.122 358 V CB -1.320 30.410 31.823 -0.155 0.000 0.708 358 V HN 0.367 nan 8.190 nan 0.000 0.490 359 F N 1.397 121.316 119.950 -0.052 0.000 2.502 359 F HA 0.189 4.619 4.527 -0.162 0.000 0.298 359 F C 1.744 177.475 175.800 -0.116 0.000 1.111 359 F CA 1.194 59.106 58.000 -0.147 0.000 1.445 359 F CB -0.199 38.701 39.000 -0.166 0.000 1.081 359 F HN 0.260 nan 8.300 nan 0.000 0.558 360 S N 0.161 115.922 115.700 0.102 0.000 2.498 360 S HA 0.310 4.696 4.470 -0.140 0.000 0.324 360 S C -1.826 172.822 174.600 0.079 0.000 1.071 360 S CA -1.669 56.572 58.200 0.068 0.000 1.113 360 S CB 1.074 64.310 63.200 0.059 0.000 0.976 360 S HN -0.198 nan 8.310 nan 0.000 0.462 361 P HA -0.023 nan 4.420 nan 0.000 0.217 361 P C 1.316 178.715 177.300 0.166 0.000 1.150 361 P CA 0.901 64.088 63.100 0.145 0.000 0.832 361 P CB 0.114 31.885 31.700 0.119 0.000 0.787 362 I N -0.954 119.670 120.570 0.091 0.000 2.226 362 I HA -0.254 3.832 4.170 -0.140 0.000 0.245 362 I C 2.325 178.630 176.117 0.313 0.000 1.100 362 I CA 1.411 62.803 61.300 0.152 0.000 1.374 362 I CB -0.307 37.816 38.000 0.206 0.000 1.057 362 I HN -0.103 nan 8.210 nan 0.000 0.413 363 K N 0.907 121.430 120.400 0.204 0.000 2.025 363 K HA -0.118 4.118 4.320 -0.140 0.000 0.207 363 K C 2.017 178.733 176.600 0.193 0.000 1.049 363 K CA 1.874 58.270 56.287 0.181 0.000 0.933 363 K CB -0.549 32.013 32.500 0.104 0.000 0.714 363 K HN 0.167 nan 8.250 nan 0.000 0.438 364 T N -0.652 113.990 114.554 0.146 0.000 2.684 364 T HA -0.156 4.110 4.350 -0.140 0.000 0.267 364 T C 1.564 176.319 174.700 0.093 0.000 1.036 364 T CA 1.730 63.872 62.100 0.069 0.000 1.148 364 T CB -0.466 68.389 68.868 -0.021 0.000 0.863 364 T HN 0.379 nan 8.240 nan 0.000 0.436 365 W N 1.237 122.658 121.300 0.202 0.000 2.436 365 W HA -0.012 4.559 4.660 -0.148 0.000 0.284 365 W C 2.293 179.064 176.519 0.420 0.000 1.225 365 W CA 0.530 58.044 57.345 0.281 0.000 1.271 365 W CB -0.204 29.386 29.460 0.217 0.000 1.114 365 W HN 0.269 nan 8.180 nan 0.000 0.559 366 D N -0.166 120.670 120.400 0.727 0.000 2.117 366 D HA -0.172 4.384 4.640 -0.140 0.000 0.197 366 D C 2.165 178.730 176.300 0.440 0.000 0.987 366 D CA 1.889 56.249 54.000 0.600 0.000 0.829 366 D CB -0.317 40.753 40.800 0.450 0.000 0.961 366 D HN 0.012 nan 8.370 nan 0.000 0.460 367 A N -0.103 122.922 122.820 0.341 0.000 1.929 367 A HA -0.030 4.206 4.320 -0.140 0.000 0.216 367 A C 2.415 180.152 177.584 0.255 0.000 1.176 367 A CA 0.813 53.041 52.037 0.318 0.000 0.628 367 A CB -0.616 18.507 19.000 0.206 0.000 0.816 367 A HN 0.333 nan 8.150 nan 0.000 0.444 368 I N -0.252 120.423 120.570 0.174 0.000 2.113 368 I HA -0.262 3.824 4.170 -0.140 0.000 0.238 368 I C 2.287 178.492 176.117 0.146 0.000 1.070 368 I CA 1.494 62.830 61.300 0.060 0.000 1.332 368 I CB -0.329 37.637 38.000 -0.056 0.000 1.044 368 I HN 0.280 nan 8.210 nan 0.000 0.402 369 I N 0.157 120.896 120.570 0.282 0.000 2.286 369 I HA -0.331 3.755 4.170 -0.140 0.000 0.248 369 I C 2.507 178.756 176.117 0.220 0.000 1.115 369 I CA 1.571 62.995 61.300 0.207 0.000 1.392 369 I CB -0.405 37.659 38.000 0.106 0.000 1.065 369 I HN 0.219 nan 8.210 nan 0.000 0.418 370 F N 2.083 122.124 119.950 0.152 0.000 2.046 370 F HA -0.304 4.138 4.527 -0.141 0.000 0.297 370 F C 2.507 178.360 175.800 0.088 0.000 1.123 370 F CA 1.741 59.821 58.000 0.132 0.000 1.199 370 F CB -0.293 38.790 39.000 0.138 0.000 0.972 370 F HN 0.064 nan 8.300 nan 0.000 0.474 371 N N 0.175 118.680 118.700 -0.325 0.000 2.104 371 N HA -0.225 4.431 4.740 -0.140 0.000 0.190 371 N C 2.075 177.443 175.510 -0.237 0.000 1.024 371 N CA 1.540 54.318 53.050 -0.452 0.000 0.853 371 N CB -0.540 37.801 38.487 -0.242 0.000 1.008 371 N HN 0.358 nan 8.380 nan 0.000 0.424 372 S N 0.990 116.630 115.700 -0.100 0.000 2.356 372 S HA 0.006 4.392 4.470 -0.140 0.000 0.223 372 S C 2.117 176.698 174.600 -0.031 0.000 1.032 372 S CA 0.682 58.857 58.200 -0.042 0.000 1.005 372 S CB -0.173 63.033 63.200 0.010 0.000 0.867 372 S HN 0.210 nan 8.310 nan 0.000 0.449 373 L N 1.238 122.457 121.223 -0.007 0.000 2.093 373 L HA -0.048 4.208 4.340 -0.140 0.000 0.208 373 L C 2.645 179.519 176.870 0.007 0.000 1.085 373 L CA 1.530 56.384 54.840 0.024 0.000 0.755 373 L CB -0.483 41.627 42.059 0.085 0.000 0.904 373 L HN 0.372 nan 8.230 nan 0.000 0.435 374 K N 0.170 120.527 120.400 -0.073 0.000 2.103 374 K HA -0.214 4.022 4.320 -0.140 0.000 0.207 374 K C 1.963 178.551 176.600 -0.019 0.000 1.048 374 K CA 1.277 57.520 56.287 -0.074 0.000 0.930 374 K CB 0.067 32.379 32.500 -0.313 0.000 0.716 374 K HN 0.179 nan 8.250 nan 0.000 0.444 375 E N 0.800 120.973 120.200 -0.045 0.000 2.153 375 E HA -0.180 4.086 4.350 -0.140 0.000 0.194 375 E C 1.448 178.061 176.600 0.021 0.000 0.988 375 E CA 1.242 57.636 56.400 -0.009 0.000 0.811 375 E CB 0.077 29.766 29.700 -0.017 0.000 0.746 375 E HN 0.562 nan 8.360 nan 0.000 0.466 376 Q N 0.103 119.918 119.800 0.026 0.000 2.280 376 Q HA 0.111 4.367 4.340 -0.140 0.000 0.201 376 Q C -0.144 175.899 176.000 0.072 0.000 0.890 376 Q CA -0.220 55.605 55.803 0.037 0.000 0.947 376 Q CB 0.391 29.144 28.738 0.025 0.000 1.081 376 Q HN 0.108 nan 8.270 nan 0.000 0.502 377 N N 0.740 119.499 118.700 0.100 0.000 2.800 377 N HA -0.150 4.506 4.740 -0.140 0.000 0.250 377 N C -0.860 174.771 175.510 0.202 0.000 1.078 377 N CA 1.103 54.263 53.050 0.182 0.000 0.804 377 N CB -0.804 37.770 38.487 0.146 0.000 1.135 377 N HN 0.358 nan 8.380 nan 0.000 0.565 378 K N 0.434 120.907 120.400 0.122 0.000 2.098 378 K HA 0.558 4.794 4.320 -0.140 0.000 0.257 378 K C 0.264 176.867 176.600 0.005 0.000 0.999 378 K CA -0.484 55.864 56.287 0.102 0.000 0.924 378 K CB 1.522 34.074 32.500 0.086 0.000 1.028 378 K HN -0.159 nan 8.250 nan 0.000 0.466 379 V N 3.604 123.488 119.914 -0.049 0.000 2.409 379 V HA 0.274 4.311 4.120 -0.140 0.000 0.291 379 V C 0.281 176.376 176.094 0.001 0.000 1.020 379 V CA -1.055 61.133 62.300 -0.186 0.000 0.848 379 V CB 0.945 32.489 31.823 -0.465 0.000 0.990 379 V HN 0.679 nan 8.190 nan 0.000 0.430 380 I N 3.285 123.900 120.570 0.075 0.000 2.754 380 I HA 0.410 4.496 4.170 -0.140 0.000 0.285 380 I C -2.270 173.885 176.117 0.062 0.000 1.166 380 I CA -1.592 59.789 61.300 0.136 0.000 1.417 380 I CB 0.457 38.573 38.000 0.193 0.000 1.382 380 I HN 0.356 nan 8.210 nan 0.000 0.588 381 P HA 0.051 nan 4.420 nan 0.000 0.272 381 P C -1.081 176.191 177.300 -0.047 0.000 1.230 381 P CA -0.266 62.849 63.100 0.025 0.000 0.788 381 P CB 0.455 32.165 31.700 0.015 0.000 0.949 382 Q N 0.802 120.591 119.800 -0.018 0.000 2.373 382 Q HA 0.360 4.616 4.340 -0.140 0.000 0.255 382 Q C 0.265 176.214 176.000 -0.086 0.000 0.980 382 Q CA -0.486 55.291 55.803 -0.043 0.000 0.882 382 Q CB 0.240 28.961 28.738 -0.029 0.000 1.249 382 Q HN 0.613 nan 8.270 nan 0.000 0.438 383 G N 3.184 111.926 108.800 -0.096 0.000 2.442 383 G HA2 0.305 4.181 3.960 -0.140 0.000 0.249 383 G HA3 0.305 4.181 3.960 -0.140 0.000 0.249 383 G C -0.764 174.070 174.900 -0.109 0.000 1.263 383 G CA -0.368 44.672 45.100 -0.099 0.000 0.846 383 G HN 0.649 nan 8.290 nan 0.000 0.555 384 R N 0.183 120.588 120.500 -0.160 0.000 2.725 384 R HA 0.450 4.706 4.340 -0.140 0.000 0.277 384 R C -0.158 175.789 176.300 -0.588 0.000 0.987 384 R CA -0.675 55.239 56.100 -0.310 0.000 0.901 384 R CB 2.119 32.241 30.300 -0.296 0.000 1.207 384 R HN 0.704 nan 8.270 nan 0.000 0.463 385 S N 1.626 116.999 115.700 -0.544 0.000 2.565 385 S HA 0.369 4.755 4.470 -0.140 0.000 0.274 385 S C -0.322 173.825 174.600 -0.756 0.000 1.309 385 S CA -0.529 57.299 58.200 -0.621 0.000 1.043 385 S CB 0.825 63.789 63.200 -0.393 0.000 0.939 385 S HN 0.502 nan 8.310 nan 0.000 0.504 386 H N 1.532 120.380 119.070 -0.370 0.000 2.768 386 H HA 0.502 4.973 4.556 -0.141 0.000 0.371 386 H C -2.550 172.623 175.328 -0.258 0.000 1.151 386 H CA -1.638 54.266 56.048 -0.240 0.000 1.165 386 H CB 1.463 31.098 29.762 -0.211 0.000 1.722 386 H HN 0.562 nan 8.280 nan 0.000 0.543 387 P HA 0.016 nan 4.420 nan 0.000 0.268 387 P C 0.020 177.290 177.300 -0.050 0.000 1.205 387 P CA -0.344 62.727 63.100 -0.048 0.000 0.771 387 P CB 1.029 32.725 31.700 -0.006 0.000 0.858 388 V N 4.557 124.434 119.914 -0.063 0.000 2.446 388 V HA 0.028 4.064 4.120 -0.140 0.000 0.276 388 V C 0.692 176.796 176.094 0.017 0.000 1.030 388 V CA 0.604 62.880 62.300 -0.040 0.000 1.033 388 V CB -0.704 31.109 31.823 -0.017 0.000 0.993 388 V HN 0.558 nan 8.190 nan 0.000 0.477 389 Q N 5.845 125.680 119.800 0.059 0.000 2.331 389 Q HA 0.539 4.795 4.340 -0.140 0.000 0.272 389 Q C -2.758 173.323 176.000 0.136 0.000 1.062 389 Q CA -1.756 54.102 55.803 0.091 0.000 0.806 389 Q CB 2.520 31.323 28.738 0.109 0.000 1.312 389 Q HN 0.503 nan 8.270 nan 0.000 0.431 390 P HA 0.233 nan 4.420 nan 0.000 0.294 390 P C -1.573 175.771 177.300 0.074 0.000 1.294 390 P CA -0.473 62.646 63.100 0.032 0.000 0.827 390 P CB 0.329 32.013 31.700 -0.027 0.000 0.992 391 Y N 1.357 121.693 120.300 0.061 0.000 2.488 391 Y HA 0.734 5.199 4.550 -0.141 0.000 0.325 391 Y C -2.126 173.814 175.900 0.067 0.000 1.204 391 Y CA -3.419 54.712 58.100 0.053 0.000 1.229 391 Y CB -0.869 37.614 38.460 0.038 0.000 1.274 391 Y HN 0.258 nan 8.280 nan 0.000 0.493 392 P HA 0.256 nan 4.420 nan 0.000 0.269 392 P C -0.177 177.199 177.300 0.127 0.000 1.209 392 P CA 0.083 63.246 63.100 0.104 0.000 0.776 392 P CB 1.403 33.185 31.700 0.136 0.000 0.876 393 G N 0.530 109.383 108.800 0.088 0.000 3.099 393 G HA2 0.587 4.463 3.960 -0.140 0.000 0.151 393 G HA3 0.587 4.463 3.960 -0.140 0.000 0.151 393 G C -0.523 174.499 174.900 0.203 0.000 1.265 393 G CA -0.251 44.934 45.100 0.142 0.000 0.981 393 G HN 0.720 nan 8.290 nan 0.000 0.601 394 A N -0.888 122.063 122.820 0.218 0.000 2.346 394 A HA 0.532 4.769 4.320 -0.140 0.000 0.252 394 A C -0.679 177.035 177.584 0.217 0.000 1.089 394 A CA -0.293 51.884 52.037 0.233 0.000 0.797 394 A CB 0.216 19.332 19.000 0.194 0.000 1.047 394 A HN 0.833 nan 8.150 nan 0.000 0.494 395 F N 1.618 121.623 119.950 0.091 0.000 2.394 395 F HA 0.561 5.005 4.527 -0.138 0.000 0.340 395 F C -0.556 175.262 175.800 0.030 0.000 1.105 395 F CA -0.650 57.389 58.000 0.065 0.000 1.124 395 F CB 1.228 40.267 39.000 0.064 0.000 1.145 395 F HN 0.226 nan 8.300 nan 0.000 0.505 396 V N 6.694 126.054 119.914 -0.922 0.000 2.447 396 V HA 0.254 4.290 4.120 -0.140 0.000 0.292 396 V C -0.302 175.179 176.094 -1.022 0.000 1.021 396 V CA -1.227 60.594 62.300 -0.799 0.000 0.850 396 V CB 1.352 33.017 31.823 -0.264 0.000 1.005 396 V HN 0.774 nan 8.190 nan 0.000 0.426 397 K N 2.708 122.480 120.400 -1.047 0.000 2.350 397 K HA 0.215 4.451 4.320 -0.140 0.000 0.279 397 K C 0.084 176.645 176.600 -0.066 0.000 1.027 397 K CA -0.310 55.695 56.287 -0.470 0.000 0.969 397 K CB 0.811 33.206 32.500 -0.175 0.000 0.954 397 K HN 0.745 nan 8.250 nan 0.000 0.474 398 E N 6.219 126.433 120.200 0.024 0.000 2.070 398 E HA 0.134 4.400 4.350 -0.140 0.000 0.282 398 E C -2.227 174.431 176.600 0.097 0.000 1.104 398 E CA -1.975 54.479 56.400 0.090 0.000 0.876 398 E CB 0.605 30.352 29.700 0.077 0.000 1.055 398 E HN 0.294 nan 8.360 nan 0.000 0.401 399 P HA 0.201 nan 4.420 nan 0.000 0.281 399 P C -0.399 176.927 177.300 0.043 0.000 1.249 399 P CA -0.363 62.725 63.100 -0.020 0.000 0.810 399 P CB 0.929 32.458 31.700 -0.285 0.000 1.008 400 I N 3.532 124.141 120.570 0.066 0.000 2.379 400 I HA 0.132 4.218 4.170 -0.140 0.000 0.290 400 I C -1.923 174.314 176.117 0.200 0.000 1.063 400 I CA -2.121 59.252 61.300 0.121 0.000 1.351 400 I CB 0.325 38.395 38.000 0.118 0.000 1.410 400 I HN 0.136 nan 8.210 nan 0.000 0.505 401 P HA 0.094 nan 4.420 nan 0.000 0.263 401 P C -0.568 176.836 177.300 0.173 0.000 1.195 401 P CA 0.376 63.607 63.100 0.219 0.000 0.762 401 P CB 0.449 32.246 31.700 0.161 0.000 0.799 402 N N 1.379 120.208 118.700 0.216 0.000 3.514 402 N HA 0.165 4.821 4.740 -0.140 0.000 0.268 402 N C -1.597 173.895 175.510 -0.030 0.000 1.391 402 N CA -0.811 52.227 53.050 -0.020 0.000 0.821 402 N CB 0.976 39.307 38.487 -0.261 0.000 1.563 402 N HN 0.261 nan 8.380 nan 0.000 0.426 403 R N 0.137 120.514 120.500 -0.205 0.000 2.486 403 R HA 0.610 4.866 4.340 -0.140 0.000 0.286 403 R C -1.177 174.890 176.300 -0.388 0.000 0.999 403 R CA -0.336 55.726 56.100 -0.063 0.000 0.993 403 R CB 0.859 31.141 30.300 -0.029 0.000 1.084 403 R HN 0.488 nan 8.270 nan 0.000 0.487 404 Y N 1.346 121.762 120.300 0.194 0.000 2.402 404 Y HA 0.239 4.706 4.550 -0.139 0.000 0.325 404 Y C 0.951 176.913 175.900 0.103 0.000 1.009 404 Y CA -0.874 57.320 58.100 0.155 0.000 1.278 404 Y CB 1.903 40.498 38.460 0.225 0.000 1.105 404 Y HN 0.770 nan 8.280 nan 0.000 0.476 405 K N 2.212 122.667 120.400 0.092 0.000 1.987 405 K HA -0.119 4.117 4.320 -0.140 0.000 0.216 405 K C -0.613 175.821 176.600 -0.276 0.000 1.051 405 K CA 1.710 57.922 56.287 -0.124 0.000 0.942 405 K CB 0.044 32.447 32.500 -0.163 0.000 0.722 405 K HN 0.561 nan 8.250 nan 0.000 0.444 406 Y N -0.206 120.139 120.300 0.074 0.000 2.335 406 Y HA 0.421 4.887 4.550 -0.140 0.000 0.338 406 Y C -0.799 175.203 175.900 0.169 0.000 0.977 406 Y CA -1.038 57.094 58.100 0.052 0.000 1.114 406 Y CB 2.050 40.444 38.460 -0.110 0.000 1.182 406 Y HN -0.265 nan 8.280 nan 0.000 0.463 407 V N 4.918 125.044 119.914 0.353 0.000 2.760 407 V HA 0.463 4.500 4.120 -0.140 0.000 0.309 407 V C -0.592 175.681 176.094 0.299 0.000 1.077 407 V CA -1.003 61.496 62.300 0.333 0.000 0.910 407 V CB 2.216 34.274 31.823 0.392 0.000 1.008 407 V HN 0.796 nan 8.190 nan 0.000 0.424 408 M N 3.672 123.414 119.600 0.236 0.000 2.326 408 M HA 0.573 4.969 4.480 -0.140 0.000 0.306 408 M C -0.355 175.945 176.300 0.000 0.000 1.054 408 M CA -0.305 55.057 55.300 0.103 0.000 0.922 408 M CB 2.334 35.010 32.600 0.127 0.000 1.632 408 M HN 0.859 nan 8.290 nan 0.000 0.436 409 S N 2.703 118.246 115.700 -0.261 0.000 2.578 409 S HA 0.861 5.247 4.470 -0.140 0.000 0.301 409 S C -1.077 173.149 174.600 -0.623 0.000 1.091 409 S CA -0.599 57.338 58.200 -0.437 0.000 1.032 409 S CB 1.463 64.228 63.200 -0.725 0.000 1.064 409 S HN 0.474 nan 8.310 nan 0.000 0.508 410 F N 0.200 120.031 119.950 -0.197 0.000 2.569 410 F HA 0.560 5.003 4.527 -0.140 0.000 0.312 410 F C -0.670 175.098 175.800 -0.053 0.000 1.109 410 F CA -0.663 57.296 58.000 -0.068 0.000 0.919 410 F CB 2.233 41.231 39.000 -0.003 0.000 1.211 410 F HN 0.517 nan 8.300 nan 0.000 0.446 411 D N 2.158 122.644 120.400 0.142 0.000 2.619 411 D HA 0.549 5.105 4.640 -0.140 0.000 0.241 411 D C -0.800 175.571 176.300 0.118 0.000 1.087 411 D CA -0.368 53.694 54.000 0.102 0.000 0.851 411 D CB 2.192 43.022 40.800 0.050 0.000 1.474 411 D HN 0.287 nan 8.370 nan 0.000 0.478 412 L N 1.146 122.419 121.223 0.084 0.000 2.397 412 L HA 0.300 4.556 4.340 -0.140 0.000 0.271 412 L C 0.587 177.469 176.870 0.020 0.000 1.148 412 L CA -0.126 54.736 54.840 0.037 0.000 0.825 412 L CB 0.740 42.777 42.059 -0.037 0.000 1.117 412 L HN 0.278 nan 8.230 nan 0.000 0.456 413 T N 1.558 116.138 114.554 0.043 0.000 2.779 413 T HA 0.024 4.290 4.350 -0.140 0.000 0.296 413 T C 0.506 175.236 174.700 0.050 0.000 0.938 413 T CA -0.268 61.885 62.100 0.087 0.000 1.119 413 T CB 0.445 69.431 68.868 0.196 0.000 0.891 413 T HN 0.736 nan 8.240 nan 0.000 0.526 414 S N 2.623 118.367 115.700 0.074 0.000 3.280 414 S HA -0.161 4.226 4.470 -0.140 0.000 0.349 414 S C 1.326 175.896 174.600 -0.051 0.000 0.936 414 S CA -0.205 58.037 58.200 0.071 0.000 1.301 414 S CB -1.210 62.160 63.200 0.283 0.000 0.907 414 S HN 0.664 nan 8.310 nan 0.000 0.516 415 L N 1.661 122.795 121.223 -0.147 0.000 1.976 415 L HA -0.198 4.058 4.340 -0.140 0.000 0.223 415 L C 1.973 178.742 176.870 -0.168 0.000 1.081 415 L CA 2.246 56.949 54.840 -0.229 0.000 0.784 415 L CB -0.722 41.120 42.059 -0.362 0.000 0.896 415 L HN 0.616 nan 8.230 nan 0.000 0.438 416 Y N -0.483 119.722 120.300 -0.158 0.000 2.145 416 Y HA -0.099 4.364 4.550 -0.145 0.000 0.286 416 Y C -0.091 175.704 175.900 -0.175 0.000 1.145 416 Y CA 0.975 58.951 58.100 -0.207 0.000 1.148 416 Y CB -2.500 35.760 38.460 -0.333 0.000 0.981 416 Y HN 0.308 nan 8.280 nan 0.000 0.507 417 P HA -0.104 nan 4.420 nan 0.000 0.218 417 P C 1.795 178.969 177.300 -0.209 0.000 1.149 417 P CA 2.203 65.268 63.100 -0.059 0.000 0.817 417 P CB 0.060 31.774 31.700 0.024 0.000 0.785 418 S N -0.866 114.687 115.700 -0.245 0.000 2.368 418 S HA -0.083 4.303 4.470 -0.140 0.000 0.224 418 S C 1.863 176.239 174.600 -0.373 0.000 1.029 418 S CA 0.952 58.934 58.200 -0.363 0.000 0.988 418 S CB -0.997 61.985 63.200 -0.363 0.000 0.838 418 S HN 0.118 nan 8.310 nan 0.000 0.462 419 I N 1.341 121.716 120.570 -0.324 0.000 2.226 419 I HA -0.187 3.899 4.170 -0.140 0.000 0.245 419 I C 1.976 177.801 176.117 -0.486 0.000 1.100 419 I CA 1.173 62.182 61.300 -0.485 0.000 1.374 419 I CB -0.385 37.411 38.000 -0.340 0.000 1.057 419 I HN 0.257 nan 8.210 nan 0.000 0.413 420 I N 0.400 120.768 120.570 -0.337 0.000 2.208 420 I HA -0.300 3.786 4.170 -0.140 0.000 0.245 420 I C 2.692 178.610 176.117 -0.333 0.000 1.097 420 I CA 1.490 62.594 61.300 -0.326 0.000 1.363 420 I CB -0.350 37.510 38.000 -0.234 0.000 1.051 420 I HN 0.181 nan 8.210 nan 0.000 0.413 421 R N 0.062 120.373 120.500 -0.314 0.000 2.075 421 R HA -0.158 4.099 4.340 -0.140 0.000 0.226 421 R C 2.307 178.437 176.300 -0.285 0.000 1.114 421 R CA 1.138 57.071 56.100 -0.278 0.000 0.972 421 R CB -0.355 29.771 30.300 -0.291 0.000 0.869 421 R HN 0.388 nan 8.270 nan 0.000 0.437 422 Q N 0.757 120.346 119.800 -0.352 0.000 2.050 422 Q HA -0.130 4.126 4.340 -0.140 0.000 0.202 422 Q C 1.752 177.567 176.000 -0.309 0.000 0.980 422 Q CA 1.650 57.255 55.803 -0.329 0.000 0.840 422 Q CB 0.210 28.706 28.738 -0.404 0.000 0.898 422 Q HN 0.164 nan 8.270 nan 0.000 0.424 423 V N 0.880 120.533 119.914 -0.435 0.000 2.951 423 V HA -0.054 3.982 4.120 -0.140 0.000 0.255 423 V C 0.465 176.357 176.094 -0.337 0.000 1.088 423 V CA 0.841 62.911 62.300 -0.384 0.000 1.109 423 V CB -0.724 30.775 31.823 -0.540 0.000 0.724 423 V HN 0.656 nan 8.190 nan 0.000 0.471 424 N N 0.214 118.708 118.700 -0.344 0.000 2.771 424 N HA -0.194 4.463 4.740 -0.140 0.000 0.249 424 N C -0.534 174.699 175.510 -0.461 0.000 1.069 424 N CA 0.253 53.140 53.050 -0.272 0.000 0.688 424 N CB -1.446 36.980 38.487 -0.103 0.000 0.928 424 N HN 0.535 nan 8.380 nan 0.000 0.551 425 I N 0.466 120.660 120.570 -0.626 0.000 2.337 425 I HA 0.296 4.382 4.170 -0.140 0.000 0.291 425 I C 0.652 176.545 176.117 -0.373 0.000 1.046 425 I CA -0.009 60.795 61.300 -0.827 0.000 1.324 425 I CB 1.144 38.713 38.000 -0.718 0.000 1.409 425 I HN 0.277 nan 8.210 nan 0.000 0.494 426 S N 7.459 123.042 115.700 -0.194 0.000 2.547 426 S HA 0.425 4.811 4.470 -0.140 0.000 0.270 426 S C -2.045 172.586 174.600 0.052 0.000 1.150 426 S CA -1.057 57.103 58.200 -0.067 0.000 0.850 426 S CB 1.916 65.073 63.200 -0.073 0.000 1.118 426 S HN 0.345 nan 8.310 nan 0.000 0.461 427 P HA -0.137 nan 4.420 nan 0.000 0.216 427 P C 0.868 178.245 177.300 0.129 0.000 1.150 427 P CA 1.335 64.496 63.100 0.101 0.000 0.837 427 P CB -0.019 31.754 31.700 0.121 0.000 0.786 428 E N 0.538 120.720 120.200 -0.029 0.000 2.489 428 E HA -0.021 4.245 4.350 -0.140 0.000 0.193 428 E C 0.889 177.575 176.600 0.143 0.000 1.057 428 E CA 0.818 57.166 56.400 -0.086 0.000 0.866 428 E CB -1.241 28.177 29.700 -0.471 0.000 0.916 428 E HN 0.289 nan 8.360 nan 0.000 0.500 429 T N -1.471 113.213 114.554 0.217 0.000 3.054 429 T HA 0.345 4.611 4.350 -0.140 0.000 0.255 429 T C 0.974 175.869 174.700 0.326 0.000 1.035 429 T CA -0.487 61.841 62.100 0.380 0.000 0.941 429 T CB -0.385 68.661 68.868 0.298 0.000 1.026 429 T HN 0.040 nan 8.240 nan 0.000 0.533 430 I N 2.162 122.834 120.570 0.170 0.000 2.587 430 I HA 0.277 4.363 4.170 -0.140 0.000 0.284 430 I C 1.461 177.375 176.117 -0.338 0.000 1.134 430 I CA -0.340 60.838 61.300 -0.204 0.000 1.410 430 I CB 0.874 38.801 38.000 -0.121 0.000 1.392 430 I HN 0.285 nan 8.210 nan 0.000 0.545 431 A N 5.065 127.419 122.820 -0.777 0.000 2.035 431 A HA 0.610 4.847 4.320 -0.140 0.000 0.208 431 A C 1.010 178.182 177.584 -0.687 0.000 1.206 431 A CA 0.797 52.185 52.037 -1.081 0.000 0.773 431 A CB 0.217 18.000 19.000 -2.028 0.000 0.878 431 A HN 0.872 nan 8.150 nan 0.000 0.469 432 G N -1.776 106.673 108.800 -0.586 0.000 2.399 432 G HA2 0.475 4.351 3.960 -0.140 0.000 0.256 432 G HA3 0.475 4.351 3.960 -0.140 0.000 0.256 432 G C -0.511 174.207 174.900 -0.302 0.000 1.236 432 G CA 0.429 45.312 45.100 -0.362 0.000 0.914 432 G HN 1.028 nan 8.290 nan 0.000 0.482 433 T N -1.924 112.522 114.554 -0.180 0.000 2.865 433 T HA 0.849 5.116 4.350 -0.140 0.000 0.294 433 T C -0.899 173.804 174.700 0.006 0.000 1.119 433 T CA -0.306 61.706 62.100 -0.148 0.000 1.007 433 T CB 2.093 70.838 68.868 -0.206 0.000 1.225 433 T HN 1.849 nan 8.240 nan 0.000 0.515 434 F N -1.256 118.641 119.950 -0.087 0.000 2.629 434 F HA 0.823 5.266 4.527 -0.140 0.000 0.316 434 F C -0.417 175.373 175.800 -0.018 0.000 1.081 434 F CA -1.660 56.317 58.000 -0.040 0.000 0.954 434 F CB 1.479 40.463 39.000 -0.026 0.000 1.337 434 F HN 0.760 nan 8.300 nan 0.000 0.474 435 K N 1.893 122.385 120.400 0.153 0.000 2.412 435 K HA 0.405 4.641 4.320 -0.140 0.000 0.284 435 K C -0.994 175.679 176.600 0.122 0.000 1.046 435 K CA -0.308 56.018 56.287 0.065 0.000 0.999 435 K CB 0.705 33.268 32.500 0.104 0.000 0.941 435 K HN 0.739 nan 8.250 nan 0.000 0.474 436 V N 4.418 124.312 119.914 -0.033 0.000 2.509 436 V HA 0.618 4.655 4.120 -0.140 0.000 0.284 436 V C -0.290 175.893 176.094 0.149 0.000 1.047 436 V CA -0.198 62.156 62.300 0.089 0.000 0.952 436 V CB 1.058 32.838 31.823 -0.072 0.000 0.988 436 V HN 0.977 nan 8.190 nan 0.000 0.469 437 A N 7.387 130.350 122.820 0.239 0.000 2.281 437 A HA 0.897 5.133 4.320 -0.140 0.000 0.329 437 A C -2.630 174.931 177.584 -0.038 0.000 1.122 437 A CA -1.923 50.089 52.037 -0.042 0.000 0.850 437 A CB 0.735 19.530 19.000 -0.343 0.000 1.207 437 A HN 0.757 nan 8.150 nan 0.000 0.495 438 P HA 0.041 nan 4.420 nan 0.000 0.267 438 P C 0.939 178.127 177.300 -0.187 0.000 1.200 438 P CA -0.279 62.696 63.100 -0.209 0.000 0.772 438 P CB 0.410 31.858 31.700 -0.420 0.000 0.855 439 L N 4.016 125.235 121.223 -0.006 0.000 2.043 439 L HA -0.238 4.019 4.340 -0.140 0.000 0.212 439 L C 2.162 179.085 176.870 0.089 0.000 1.075 439 L CA 2.232 57.152 54.840 0.133 0.000 0.752 439 L CB -1.461 40.666 42.059 0.113 0.000 0.891 439 L HN 0.575 nan 8.230 nan 0.000 0.432 440 H N -2.997 116.115 119.070 0.069 0.000 2.518 440 H HA -0.073 4.399 4.556 -0.140 0.000 0.289 440 H C 1.537 176.877 175.328 0.019 0.000 1.051 440 H CA 1.400 57.468 56.048 0.032 0.000 1.280 440 H CB -0.820 28.944 29.762 0.004 0.000 1.380 440 H HN 0.374 nan 8.280 nan 0.000 0.566 441 D N 0.047 120.299 120.400 -0.245 0.000 2.183 441 D HA -0.103 4.454 4.640 -0.140 0.000 0.203 441 D C 1.175 177.421 176.300 -0.090 0.000 0.969 441 D CA 0.896 54.789 54.000 -0.177 0.000 0.842 441 D CB -0.224 40.335 40.800 -0.402 0.000 0.957 441 D HN 0.483 nan 8.370 nan 0.000 0.484 442 Y N 0.527 120.924 120.300 0.161 0.000 2.420 442 Y HA 0.129 4.595 4.550 -0.139 0.000 0.292 442 Y C 2.280 178.461 175.900 0.468 0.000 1.119 442 Y CA 0.145 58.439 58.100 0.324 0.000 1.229 442 Y CB -0.227 38.314 38.460 0.136 0.000 1.026 442 Y HN -0.060 nan 8.280 nan 0.000 0.554 443 I N 0.097 120.913 120.570 0.410 0.000 2.394 443 I HA -0.266 3.820 4.170 -0.140 0.000 0.251 443 I C 1.033 177.221 176.117 0.117 0.000 1.136 443 I CA 1.215 62.718 61.300 0.339 0.000 1.425 443 I CB -0.181 37.915 38.000 0.161 0.000 1.079 443 I HN 0.254 nan 8.210 nan 0.000 0.425 444 N N 0.862 119.604 118.700 0.071 0.000 2.230 444 N HA 0.224 4.880 4.740 -0.140 0.000 0.202 444 N C 0.811 176.245 175.510 -0.126 0.000 1.119 444 N CA 0.729 53.720 53.050 -0.098 0.000 0.851 444 N CB 0.868 39.332 38.487 -0.038 0.000 0.990 444 N HN 0.200 nan 8.380 nan 0.000 0.497 445 A N -0.032 122.807 122.820 0.033 0.000 2.822 445 A HA -0.183 4.054 4.320 -0.140 0.000 0.287 445 A C 1.284 178.832 177.584 -0.060 0.000 1.479 445 A CA 0.853 52.844 52.037 -0.076 0.000 0.779 445 A CB -2.124 16.674 19.000 -0.338 0.000 1.022 445 A HN 0.123 nan 8.150 nan 0.000 0.532 446 V N -0.726 119.197 119.914 0.015 0.000 2.685 446 V HA 0.264 4.301 4.120 -0.140 0.000 0.244 446 V C 1.861 177.959 176.094 0.006 0.000 1.054 446 V CA 1.260 63.555 62.300 -0.008 0.000 1.076 446 V CB -0.354 31.464 31.823 -0.009 0.000 0.725 446 V HN 1.469 nan 8.190 nan 0.000 0.467 447 A N 1.457 124.260 122.820 -0.027 0.000 2.483 447 A HA 0.175 4.412 4.320 -0.140 0.000 0.238 447 A C 0.558 178.212 177.584 0.117 0.000 1.070 447 A CA -0.157 51.812 52.037 -0.113 0.000 0.770 447 A CB -0.153 18.442 19.000 -0.676 0.000 1.008 447 A HN 0.677 nan 8.150 nan 0.000 0.497 448 E N 2.054 122.307 120.200 0.089 0.000 2.383 448 E HA 0.190 4.456 4.350 -0.140 0.000 0.264 448 E C 0.101 176.817 176.600 0.194 0.000 1.050 448 E CA -0.685 55.799 56.400 0.141 0.000 0.896 448 E CB 0.593 30.344 29.700 0.086 0.000 0.982 448 E HN 0.569 nan 8.360 nan 0.000 0.424 449 R N 3.295 123.919 120.500 0.206 0.000 2.486 449 R HA -0.022 4.234 4.340 -0.140 0.000 0.303 449 R C -1.287 174.959 176.300 -0.091 0.000 0.958 449 R CA -0.900 55.267 56.100 0.110 0.000 1.077 449 R CB 0.395 30.773 30.300 0.130 0.000 0.921 449 R HN 0.583 nan 8.270 nan 0.000 0.406 450 P HA -0.122 nan 4.420 nan 0.000 0.215 450 P C 0.016 177.028 177.300 -0.480 0.000 1.157 450 P CA 1.084 63.743 63.100 -0.735 0.000 0.874 450 P CB 0.270 30.984 31.700 -1.643 0.000 0.790 451 S N -1.609 113.896 115.700 -0.325 0.000 2.537 451 S HA 0.305 4.692 4.470 -0.140 0.000 0.271 451 S C -0.732 173.797 174.600 -0.119 0.000 1.148 451 S CA -0.651 57.450 58.200 -0.165 0.000 0.868 451 S CB 1.063 64.204 63.200 -0.100 0.000 1.115 451 S HN -0.222 nan 8.310 nan 0.000 0.461 452 D N 2.769 123.108 120.400 -0.101 0.000 2.363 452 D HA 0.248 4.804 4.640 -0.140 0.000 0.214 452 D C 1.149 177.364 176.300 -0.141 0.000 1.093 452 D CA 0.413 54.359 54.000 -0.090 0.000 0.837 452 D CB 0.852 41.614 40.800 -0.063 0.000 0.948 452 D HN 0.255 nan 8.370 nan 0.000 0.507 453 V N -0.735 119.042 119.914 -0.230 0.000 3.159 453 V HA 0.128 4.164 4.120 -0.140 0.000 0.234 453 V C -0.212 175.584 176.094 -0.496 0.000 1.313 453 V CA 0.235 62.279 62.300 -0.427 0.000 1.271 453 V CB 0.458 31.856 31.823 -0.708 0.000 1.053 453 V HN -0.064 nan 8.190 nan 0.000 0.476 454 Y N 0.250 120.514 120.300 -0.060 0.000 2.496 454 Y HA 0.643 5.110 4.550 -0.140 0.000 0.331 454 Y C 0.638 176.506 175.900 -0.053 0.000 1.140 454 Y CA -1.055 57.005 58.100 -0.066 0.000 1.166 454 Y CB 1.354 39.737 38.460 -0.128 0.000 1.249 454 Y HN -0.042 nan 8.280 nan 0.000 0.479 455 S N 1.039 116.846 115.700 0.179 0.000 2.499 455 S HA 0.502 4.888 4.470 -0.140 0.000 0.275 455 S C -0.668 174.028 174.600 0.159 0.000 1.257 455 S CA -0.429 57.842 58.200 0.117 0.000 1.050 455 S CB -0.564 62.699 63.200 0.105 0.000 0.937 455 S HN 0.672 nan 8.310 nan 0.000 0.490 456 C N 3.047 122.397 119.300 0.084 0.000 2.630 456 C HA 0.888 5.264 4.460 -0.140 0.000 0.346 456 C C 0.306 175.415 174.990 0.199 0.000 1.245 456 C CA -0.782 58.305 59.018 0.115 0.000 1.804 456 C CB 1.521 29.173 27.740 -0.148 0.000 2.279 456 C HN 0.824 nan 8.230 nan 0.000 0.498 457 S N -0.031 115.832 115.700 0.272 0.000 2.536 457 S HA 0.508 4.894 4.470 -0.140 0.000 0.287 457 S C -2.299 172.379 174.600 0.131 0.000 1.101 457 S CA -0.988 57.375 58.200 0.271 0.000 0.950 457 S CB 1.594 64.966 63.200 0.286 0.000 1.056 457 S HN 0.520 nan 8.310 nan 0.000 0.481 458 P HA -0.089 nan 4.420 nan 0.000 0.224 458 P C 0.849 178.050 177.300 -0.165 0.000 1.142 458 P CA 0.777 63.698 63.100 -0.299 0.000 0.778 458 P CB -0.174 31.358 31.700 -0.281 0.000 0.764 459 N N -0.812 117.839 118.700 -0.082 0.000 2.461 459 N HA 0.010 4.666 4.740 -0.140 0.000 0.188 459 N C 1.219 176.570 175.510 -0.265 0.000 1.134 459 N CA 0.994 53.979 53.050 -0.108 0.000 0.878 459 N CB -0.718 37.747 38.487 -0.037 0.000 0.972 459 N HN 0.187 nan 8.380 nan 0.000 0.456 460 G N -0.302 108.208 108.800 -0.484 0.000 2.176 460 G HA2 -0.197 3.679 3.960 -0.140 0.000 0.232 460 G HA3 -0.197 3.679 3.960 -0.140 0.000 0.232 460 G C -0.141 174.390 174.900 -0.614 0.000 0.986 460 G CA 0.010 44.467 45.100 -1.071 0.000 0.643 460 G HN 0.212 nan 8.290 nan 0.000 0.522 461 M N 0.776 120.258 119.600 -0.198 0.000 2.277 461 M HA 0.641 5.037 4.480 -0.140 0.000 0.350 461 M C 0.610 176.828 176.300 -0.137 0.000 1.180 461 M CA 0.101 55.275 55.300 -0.209 0.000 1.103 461 M CB 1.050 33.533 32.600 -0.196 0.000 1.577 461 M HN 0.180 nan 8.290 nan 0.000 0.459 462 M N 2.691 122.036 119.600 -0.425 0.000 2.456 462 M HA 0.512 4.909 4.480 -0.140 0.000 0.324 462 M C -1.574 174.232 176.300 -0.824 0.000 1.124 462 M CA -0.574 54.501 55.300 -0.376 0.000 0.959 462 M CB 1.961 34.389 32.600 -0.286 0.000 1.692 462 M HN 0.470 nan 8.290 nan 0.000 0.444 463 Y N -0.232 119.963 120.300 -0.175 0.000 2.545 463 Y HA 0.464 4.930 4.550 -0.139 0.000 0.348 463 Y C -0.784 175.060 175.900 -0.093 0.000 1.002 463 Y CA -0.898 57.086 58.100 -0.193 0.000 1.039 463 Y CB 1.366 39.779 38.460 -0.079 0.000 1.271 463 Y HN 0.442 nan 8.280 nan 0.000 0.467 464 Y N 1.766 122.185 120.300 0.198 0.000 2.511 464 Y HA 0.062 4.527 4.550 -0.140 0.000 0.332 464 Y C 1.147 177.151 175.900 0.175 0.000 1.177 464 Y CA 0.270 58.511 58.100 0.236 0.000 1.422 464 Y CB 0.719 39.268 38.460 0.150 0.000 1.271 464 Y HN 0.558 nan 8.280 nan 0.000 0.550 465 K N 0.808 121.390 120.400 0.303 0.000 2.354 465 K HA -0.021 4.215 4.320 -0.140 0.000 0.194 465 K C 0.195 176.866 176.600 0.118 0.000 1.045 465 K CA 0.554 56.934 56.287 0.156 0.000 1.026 465 K CB 0.306 32.864 32.500 0.096 0.000 0.866 465 K HN 0.672 nan 8.250 nan 0.000 0.530 466 D N 1.853 122.341 120.400 0.148 0.000 2.538 466 D HA -0.017 4.539 4.640 -0.140 0.000 0.234 466 D C -0.373 175.955 176.300 0.048 0.000 1.191 466 D CA -0.246 53.802 54.000 0.079 0.000 0.828 466 D CB -0.247 40.595 40.800 0.070 0.000 0.981 466 D HN 0.163 nan 8.370 nan 0.000 0.490 467 R N -1.415 119.120 120.500 0.058 0.000 2.633 467 R HA 0.296 4.552 4.340 -0.140 0.000 0.255 467 R C -1.785 174.528 176.300 0.022 0.000 1.106 467 R CA -0.792 55.318 56.100 0.017 0.000 0.959 467 R CB 0.531 30.817 30.300 -0.024 0.000 1.259 467 R HN -0.278 nan 8.270 nan 0.000 0.453 468 D N 2.188 122.586 120.400 -0.003 0.000 2.383 468 D HA 0.166 4.722 4.640 -0.140 0.000 0.252 468 D C 0.326 176.614 176.300 -0.019 0.000 1.166 468 D CA 0.418 54.410 54.000 -0.012 0.000 0.879 468 D CB 1.569 42.360 40.800 -0.016 0.000 1.164 468 D HN 0.655 nan 8.370 nan 0.000 0.462 469 G N 0.997 109.780 108.800 -0.028 0.000 2.476 469 G HA2 0.263 4.139 3.960 -0.140 0.000 0.269 469 G HA3 0.263 4.139 3.960 -0.140 0.000 0.269 469 G C 1.284 176.144 174.900 -0.067 0.000 1.195 469 G CA -0.619 44.455 45.100 -0.043 0.000 0.843 469 G HN 0.310 nan 8.290 nan 0.000 0.545 470 V N 1.988 121.850 119.914 -0.087 0.000 2.261 470 V HA -0.186 3.851 4.120 -0.140 0.000 0.246 470 V C 2.990 179.005 176.094 -0.131 0.000 1.047 470 V CA 1.809 64.043 62.300 -0.110 0.000 1.015 470 V CB -0.637 31.093 31.823 -0.154 0.000 0.642 470 V HN 0.511 nan 8.190 nan 0.000 0.446 471 V N 0.112 119.926 119.914 -0.168 0.000 2.358 471 V HA -0.131 3.905 4.120 -0.140 0.000 0.246 471 V C 0.045 176.059 176.094 -0.134 0.000 1.047 471 V CA 2.362 64.554 62.300 -0.179 0.000 1.035 471 V CB -1.774 29.935 31.823 -0.190 0.000 0.658 471 V HN 0.511 nan 8.190 nan 0.000 0.452 472 P HA -0.097 nan 4.420 nan 0.000 0.216 472 P C 1.820 179.084 177.300 -0.061 0.000 1.153 472 P CA 1.613 64.643 63.100 -0.118 0.000 0.848 472 P CB -0.156 31.465 31.700 -0.133 0.000 0.787 473 T N -0.273 114.257 114.554 -0.039 0.000 2.737 473 T HA -0.127 4.140 4.350 -0.140 0.000 0.265 473 T C 1.571 176.303 174.700 0.053 0.000 1.038 473 T CA 1.182 63.283 62.100 0.002 0.000 1.144 473 T CB -0.703 68.165 68.868 -0.001 0.000 0.866 473 T HN 0.149 nan 8.240 nan 0.000 0.434 474 E N 0.816 121.055 120.200 0.065 0.000 2.110 474 E HA -0.059 4.207 4.350 -0.140 0.000 0.193 474 E C 2.173 178.937 176.600 0.274 0.000 0.988 474 E CA 0.631 57.138 56.400 0.179 0.000 0.804 474 E CB -0.442 29.386 29.700 0.213 0.000 0.745 474 E HN 0.417 nan 8.360 nan 0.000 0.458 475 I N 0.898 121.560 120.570 0.153 0.000 2.353 475 I HA -0.158 3.928 4.170 -0.140 0.000 0.248 475 I C 1.922 178.162 176.117 0.205 0.000 1.119 475 I CA 1.343 62.758 61.300 0.192 0.000 1.417 475 I CB -0.347 37.653 38.000 -0.001 0.000 1.078 475 I HN -0.074 nan 8.210 nan 0.000 0.421 476 T N 1.034 115.654 114.554 0.110 0.000 2.708 476 T HA -0.177 4.089 4.350 -0.140 0.000 0.266 476 T C 1.922 176.743 174.700 0.202 0.000 1.037 476 T CA 1.604 63.772 62.100 0.112 0.000 1.146 476 T CB -0.190 68.701 68.868 0.038 0.000 0.865 476 T HN 0.347 nan 8.240 nan 0.000 0.435 477 K N 0.591 121.101 120.400 0.184 0.000 2.044 477 K HA -0.098 4.138 4.320 -0.140 0.000 0.210 477 K C 2.305 179.047 176.600 0.237 0.000 1.049 477 K CA 1.276 57.679 56.287 0.192 0.000 0.927 477 K CB -0.609 32.001 32.500 0.182 0.000 0.713 477 K HN 0.195 nan 8.250 nan 0.000 0.443 478 V N 0.833 120.923 119.914 0.294 0.000 2.515 478 V HA -0.214 3.822 4.120 -0.140 0.000 0.250 478 V C 1.968 178.203 176.094 0.233 0.000 1.058 478 V CA 1.455 63.919 62.300 0.273 0.000 1.064 478 V CB -0.522 31.504 31.823 0.338 0.000 0.675 478 V HN 0.183 nan 8.190 nan 0.000 0.461 479 F N 1.712 121.733 119.950 0.118 0.000 2.102 479 F HA -0.153 4.289 4.527 -0.142 0.000 0.298 479 F C 2.397 178.227 175.800 0.051 0.000 1.105 479 F CA 1.822 59.868 58.000 0.077 0.000 1.239 479 F CB -0.279 38.760 39.000 0.064 0.000 0.991 479 F HN 0.199 nan 8.300 nan 0.000 0.474 480 N N 0.178 119.019 118.700 0.235 0.000 2.166 480 N HA -0.177 4.480 4.740 -0.140 0.000 0.186 480 N C 1.778 177.301 175.510 0.022 0.000 1.019 480 N CA 1.359 54.477 53.050 0.114 0.000 0.856 480 N CB -0.606 37.953 38.487 0.120 0.000 0.993 480 N HN 0.492 nan 8.380 nan 0.000 0.426 481 Q N 0.431 120.271 119.800 0.066 0.000 2.124 481 Q HA -0.053 4.203 4.340 -0.140 0.000 0.202 481 Q C 2.150 178.176 176.000 0.043 0.000 0.977 481 Q CA 0.876 56.718 55.803 0.066 0.000 0.850 481 Q CB -0.050 28.800 28.738 0.186 0.000 0.901 481 Q HN 0.320 nan 8.270 nan 0.000 0.429 482 R N 0.981 121.469 120.500 -0.021 0.000 2.096 482 R HA -0.173 4.083 4.340 -0.140 0.000 0.235 482 R C 2.477 178.691 176.300 -0.143 0.000 1.127 482 R CA 1.816 57.867 56.100 -0.082 0.000 0.968 482 R CB -0.127 30.066 30.300 -0.178 0.000 0.861 482 R HN 0.118 nan 8.270 nan 0.000 0.440 483 K N 1.383 121.673 120.400 -0.183 0.000 2.057 483 K HA -0.191 4.045 4.320 -0.140 0.000 0.207 483 K C 1.742 178.198 176.600 -0.240 0.000 1.049 483 K CA 1.712 57.888 56.287 -0.185 0.000 0.931 483 K CB -0.778 31.639 32.500 -0.139 0.000 0.714 483 K HN 0.603 nan 8.250 nan 0.000 0.440 484 E N -0.529 119.489 120.200 -0.304 0.000 2.051 484 E HA -0.242 4.024 4.350 -0.140 0.000 0.192 484 E C 2.044 178.006 176.600 -1.062 0.000 0.991 484 E CA 1.223 57.267 56.400 -0.592 0.000 0.799 484 E CB -0.130 29.261 29.700 -0.515 0.000 0.748 484 E HN 0.794 nan 8.360 nan 0.000 0.449 485 H N -0.070 118.682 119.070 -0.530 0.000 2.395 485 H HA -0.043 4.430 4.556 -0.139 0.000 0.299 485 H C 2.131 177.296 175.328 -0.270 0.000 1.070 485 H CA 1.495 57.301 56.048 -0.402 0.000 1.356 485 H CB -0.001 29.669 29.762 -0.153 0.000 1.401 485 H HN 0.097 nan 8.280 nan 0.000 0.524 486 K N 1.096 121.422 120.400 -0.124 0.000 2.147 486 K HA -0.074 4.163 4.320 -0.140 0.000 0.205 486 K C 2.358 178.894 176.600 -0.106 0.000 1.049 486 K CA 1.275 57.505 56.287 -0.094 0.000 0.936 486 K CB -0.407 32.030 32.500 -0.105 0.000 0.722 486 K HN 0.228 nan 8.250 nan 0.000 0.446 487 G N -0.553 108.130 108.800 -0.195 0.000 2.418 487 G HA2 -0.220 3.656 3.960 -0.140 0.000 0.217 487 G HA3 -0.220 3.656 3.960 -0.140 0.000 0.217 487 G C 1.020 175.919 174.900 -0.001 0.000 1.158 487 G CA 0.835 45.862 45.100 -0.123 0.000 0.771 487 G HN 0.288 nan 8.290 nan 0.000 0.545 488 Y N 0.059 120.329 120.300 -0.049 0.000 2.224 488 Y HA 0.027 4.494 4.550 -0.139 0.000 0.289 488 Y C 2.770 178.623 175.900 -0.079 0.000 1.146 488 Y CA 0.580 58.619 58.100 -0.102 0.000 1.182 488 Y CB -0.888 37.503 38.460 -0.115 0.000 0.983 488 Y HN 0.201 nan 8.280 nan 0.000 0.524 489 M N -0.894 118.762 119.600 0.093 0.000 2.108 489 M HA -0.208 4.188 4.480 -0.140 0.000 0.261 489 M C 1.644 177.945 176.300 0.000 0.000 1.066 489 M CA 1.736 57.052 55.300 0.027 0.000 1.107 489 M CB -0.231 32.371 32.600 0.003 0.000 1.356 489 M HN 0.244 nan 8.290 nan 0.000 0.406 490 L N 0.609 121.832 121.223 -0.001 0.000 2.027 490 L HA -0.071 4.185 4.340 -0.140 0.000 0.206 490 L C 2.810 179.669 176.870 -0.018 0.000 1.074 490 L CA 2.159 56.992 54.840 -0.012 0.000 0.745 490 L CB -1.398 40.654 42.059 -0.012 0.000 0.898 490 L HN 0.382 nan 8.230 nan 0.000 0.433 491 A N -0.696 122.123 122.820 -0.000 0.000 1.877 491 A HA -0.152 4.084 4.320 -0.140 0.000 0.216 491 A C 2.459 179.986 177.584 -0.095 0.000 1.186 491 A CA 1.784 53.800 52.037 -0.034 0.000 0.620 491 A CB -1.063 17.947 19.000 0.016 0.000 0.822 491 A HN 0.384 nan 8.150 nan 0.000 0.443 492 A N -1.027 121.758 122.820 -0.059 0.000 2.024 492 A HA -0.233 4.003 4.320 -0.140 0.000 0.220 492 A C 2.150 179.694 177.584 -0.067 0.000 1.164 492 A CA 1.894 53.898 52.037 -0.056 0.000 0.643 492 A CB -0.495 18.480 19.000 -0.041 0.000 0.806 492 A HN 0.702 nan 8.150 nan 0.000 0.451 493 Q N -0.743 119.022 119.800 -0.058 0.000 2.033 493 Q HA -0.105 4.151 4.340 -0.140 0.000 0.196 493 Q C 2.380 178.347 176.000 -0.056 0.000 0.970 493 Q CA 1.066 56.839 55.803 -0.050 0.000 0.828 493 Q CB -0.065 28.651 28.738 -0.036 0.000 0.895 493 Q HN 0.668 nan 8.270 nan 0.000 0.440 494 R N 0.170 120.628 120.500 -0.071 0.000 2.073 494 R HA -0.112 4.144 4.340 -0.140 0.000 0.234 494 R C 2.037 178.263 176.300 -0.123 0.000 1.134 494 R CA 1.786 57.840 56.100 -0.075 0.000 0.952 494 R CB -0.433 29.824 30.300 -0.073 0.000 0.850 494 R HN 0.416 nan 8.270 nan 0.000 0.433 495 N N -0.371 118.176 118.700 -0.256 0.000 2.137 495 N HA -0.152 4.504 4.740 -0.140 0.000 0.190 495 N C 1.857 177.299 175.510 -0.114 0.000 1.017 495 N CA 0.942 53.702 53.050 -0.484 0.000 0.859 495 N CB -0.232 37.677 38.487 -0.962 0.000 1.002 495 N HN 0.311 nan 8.380 nan 0.000 0.428 496 G N 0.879 109.652 108.800 -0.044 0.000 2.470 496 G HA2 -0.210 3.667 3.960 -0.140 0.000 0.220 496 G HA3 -0.210 3.667 3.960 -0.140 0.000 0.220 496 G C 1.425 176.345 174.900 0.033 0.000 1.121 496 G CA 0.526 45.641 45.100 0.026 0.000 0.766 496 G HN 0.222 nan 8.290 nan 0.000 0.553 497 E N 0.417 120.625 120.200 0.013 0.000 2.112 497 E HA 0.015 4.281 4.350 -0.140 0.000 0.190 497 E C 2.626 179.261 176.600 0.059 0.000 0.979 497 E CA 0.275 56.692 56.400 0.029 0.000 0.814 497 E CB -0.128 29.582 29.700 0.018 0.000 0.762 497 E HN 0.516 nan 8.360 nan 0.000 0.460 498 I N 1.062 121.681 120.570 0.081 0.000 2.361 498 I HA -0.228 3.858 4.170 -0.140 0.000 0.251 498 I C 2.132 178.338 176.117 0.148 0.000 1.133 498 I CA 0.602 61.982 61.300 0.134 0.000 1.413 498 I CB -0.193 37.936 38.000 0.216 0.000 1.073 498 I HN 0.063 nan 8.210 nan 0.000 0.424 499 I N 1.122 121.794 120.570 0.170 0.000 2.315 499 I HA -0.208 3.878 4.170 -0.140 0.000 0.248 499 I C 2.333 178.486 176.117 0.060 0.000 1.117 499 I CA 1.631 63.019 61.300 0.147 0.000 1.404 499 I CB -0.972 37.141 38.000 0.188 0.000 1.071 499 I HN 0.265 nan 8.210 nan 0.000 0.419 500 K N 0.972 121.391 120.400 0.031 0.000 2.116 500 K HA -0.077 4.159 4.320 -0.140 0.000 0.203 500 K C 2.014 178.546 176.600 -0.114 0.000 1.052 500 K CA 1.304 57.561 56.287 -0.050 0.000 0.952 500 K CB -0.238 32.244 32.500 -0.030 0.000 0.729 500 K HN 0.391 nan 8.250 nan 0.000 0.446 501 E N 0.784 120.995 120.200 0.017 0.000 2.511 501 E HA 0.089 4.355 4.350 -0.140 0.000 0.196 501 E C 1.482 178.161 176.600 0.132 0.000 1.066 501 E CA 0.976 57.453 56.400 0.128 0.000 0.871 501 E CB -0.340 29.442 29.700 0.137 0.000 0.863 501 E HN 0.424 nan 8.360 nan 0.000 0.520 502 A N -0.671 122.180 122.820 0.052 0.000 2.324 502 A HA 0.448 4.684 4.320 -0.140 0.000 0.220 502 A C 1.957 179.555 177.584 0.024 0.000 1.209 502 A CA 0.086 52.158 52.037 0.059 0.000 0.918 502 A CB 0.226 19.262 19.000 0.061 0.000 0.959 502 A HN 0.371 nan 8.150 nan 0.000 0.507 503 L N -0.327 120.864 121.223 -0.053 0.000 2.554 503 L HA -0.003 4.253 4.340 -0.140 0.000 0.226 503 L C 1.995 178.819 176.870 -0.076 0.000 1.137 503 L CA 0.240 55.036 54.840 -0.072 0.000 0.863 503 L CB -0.330 41.666 42.059 -0.105 0.000 0.985 503 L HN 0.429 nan 8.230 nan 0.000 0.451 504 H N 0.950 120.038 119.070 0.030 0.000 2.423 504 H HA 0.027 4.499 4.556 -0.140 0.000 0.297 504 H C 0.482 175.823 175.328 0.021 0.000 1.075 504 H CA 1.019 57.081 56.048 0.024 0.000 1.342 504 H CB 0.143 29.919 29.762 0.023 0.000 1.395 504 H HN 0.468 nan 8.280 nan 0.000 0.530 505 N N 0.399 119.180 118.700 0.135 0.000 2.722 505 N HA 0.126 4.782 4.740 -0.140 0.000 0.242 505 N C -3.238 172.304 175.510 0.053 0.000 1.398 505 N CA -1.219 51.879 53.050 0.081 0.000 0.755 505 N CB 1.761 40.291 38.487 0.073 0.000 1.268 505 N HN 0.029 nan 8.380 nan 0.000 0.522 506 P HA 0.260 nan 4.420 nan 0.000 0.284 506 P C -0.309 177.005 177.300 0.022 0.000 1.253 506 P CA -0.226 62.890 63.100 0.027 0.000 0.800 506 P CB 1.595 33.308 31.700 0.021 0.000 0.961 507 N N 1.244 119.954 118.700 0.018 0.000 2.453 507 N HA 0.130 4.786 4.740 -0.140 0.000 0.253 507 N C -0.410 175.107 175.510 0.011 0.000 1.252 507 N CA -0.591 52.467 53.050 0.014 0.000 0.917 507 N CB 0.240 38.733 38.487 0.010 0.000 1.117 507 N HN 0.289 nan 8.380 nan 0.000 0.442 508 L N 1.857 123.086 121.223 0.010 0.000 2.328 508 L HA 0.240 4.497 4.340 -0.140 0.000 0.280 508 L C 0.135 177.008 176.870 0.006 0.000 1.111 508 L CA 0.145 54.989 54.840 0.008 0.000 0.909 508 L CB -0.352 41.711 42.059 0.008 0.000 1.277 508 L HN 0.523 nan 8.230 nan 0.000 0.433 509 S N 0.762 116.465 115.700 0.005 0.000 2.671 509 S HA 0.796 5.183 4.470 -0.140 0.000 0.277 509 S C -0.766 173.836 174.600 0.002 0.000 1.165 509 S CA -0.956 57.246 58.200 0.003 0.000 0.822 509 S CB 1.727 64.928 63.200 0.002 0.000 1.150 509 S HN -0.034 nan 8.310 nan 0.000 0.479 510 V N 2.810 122.725 119.914 0.001 0.000 2.333 510 V HA 0.651 4.687 4.120 -0.140 0.000 0.274 510 V C -0.789 175.305 176.094 -0.000 0.000 1.028 510 V CA -0.213 62.087 62.300 0.001 0.000 0.851 510 V CB -0.077 31.746 31.823 0.000 0.000 1.000 510 V HN 1.051 nan 8.190 nan 0.000 0.456 511 D N 3.300 123.700 120.400 0.000 0.000 2.838 511 D HA 0.590 5.146 4.640 -0.140 0.000 0.334 511 D C -0.823 175.478 176.300 0.002 0.000 1.315 511 D CA -0.866 53.133 54.000 -0.001 0.000 0.917 511 D CB 1.492 42.291 40.800 -0.003 0.000 1.435 511 D HN 0.401 nan 8.370 nan 0.000 0.517 512 E N -1.013 119.188 120.200 0.002 0.000 2.416 512 E HA 0.439 4.705 4.350 -0.140 0.000 0.273 512 E C -2.515 174.092 176.600 0.011 0.000 0.935 512 E CA -2.078 54.327 56.400 0.008 0.000 0.784 512 E CB 2.196 31.901 29.700 0.007 0.000 1.301 512 E HN 0.316 nan 8.360 nan 0.000 0.454 513 P HA -0.088 nan 4.420 nan 0.000 0.264 513 P C 0.647 177.956 177.300 0.015 0.000 1.179 513 P CA 0.032 63.157 63.100 0.042 0.000 0.763 513 P CB 0.795 32.543 31.700 0.080 0.000 0.806 514 L N 2.388 123.601 121.223 -0.017 0.000 2.191 514 L HA -0.133 4.123 4.340 -0.140 0.000 0.212 514 L C -0.059 176.770 176.870 -0.067 0.000 1.103 514 L CA 1.442 56.237 54.840 -0.074 0.000 0.769 514 L CB -1.492 40.466 42.059 -0.169 0.000 0.908 514 L HN 0.483 nan 8.230 nan 0.000 0.438 515 D N -0.813 119.575 120.400 -0.021 0.000 3.357 515 D HA -0.105 4.451 4.640 -0.140 0.000 0.238 515 D C -0.427 175.832 176.300 -0.069 0.000 1.126 515 D CA 1.048 55.048 54.000 -0.001 0.000 0.984 515 D CB -0.745 40.059 40.800 0.006 0.000 0.925 515 D HN 0.308 nan 8.370 nan 0.000 0.414 516 V N -1.957 117.866 119.914 -0.151 0.000 3.105 516 V HA 0.765 4.801 4.120 -0.140 0.000 0.311 516 V C -0.348 175.624 176.094 -0.203 0.000 1.287 516 V CA -1.069 61.113 62.300 -0.197 0.000 1.066 516 V CB 2.338 33.970 31.823 -0.319 0.000 1.105 516 V HN 0.068 nan 8.190 nan 0.000 0.462 517 D N -0.767 119.569 120.400 -0.107 0.000 2.396 517 D HA 0.430 4.986 4.640 -0.140 0.000 0.225 517 D C 0.089 176.316 176.300 -0.121 0.000 1.121 517 D CA -0.206 53.745 54.000 -0.080 0.000 0.853 517 D CB 0.791 41.578 40.800 -0.022 0.000 1.043 517 D HN 0.522 nan 8.370 nan 0.000 0.500 518 Y N 2.080 122.360 120.300 -0.034 0.000 2.616 518 Y HA 0.038 4.504 4.550 -0.139 0.000 0.296 518 Y C 1.950 177.693 175.900 -0.261 0.000 1.154 518 Y CA 0.357 58.406 58.100 -0.085 0.000 1.325 518 Y CB -0.056 38.364 38.460 -0.067 0.000 1.007 518 Y HN 0.350 nan 8.280 nan 0.000 0.542 519 R N -0.741 119.547 120.500 -0.353 0.000 2.235 519 R HA 0.017 4.273 4.340 -0.140 0.000 0.213 519 R C -0.694 175.237 176.300 -0.615 0.000 1.059 519 R CA 0.569 56.283 56.100 -0.643 0.000 0.997 519 R CB -0.012 29.480 30.300 -1.345 0.000 0.884 519 R HN 0.079 nan 8.270 nan 0.000 0.462 520 F N -0.088 119.853 119.950 -0.015 0.000 2.577 520 F HA 0.265 4.708 4.527 -0.140 0.000 0.318 520 F C 0.128 175.890 175.800 -0.063 0.000 1.065 520 F CA -2.183 55.816 58.000 -0.001 0.000 0.929 520 F CB 0.747 39.757 39.000 0.017 0.000 1.237 520 F HN -0.251 nan 8.300 nan 0.000 0.468 521 D N 1.839 122.326 120.400 0.144 0.000 2.458 521 D HA 0.045 4.601 4.640 -0.140 0.000 0.243 521 D C 0.056 176.426 176.300 0.116 0.000 1.146 521 D CA 0.536 54.541 54.000 0.008 0.000 0.877 521 D CB 0.466 41.285 40.800 0.032 0.000 1.176 521 D HN 0.282 nan 8.370 nan 0.000 0.461 522 F N 1.044 121.011 119.950 0.028 0.000 2.595 522 F HA -0.092 4.352 4.527 -0.139 0.000 0.359 522 F C 1.877 177.681 175.800 0.007 0.000 1.147 522 F CA -0.486 57.513 58.000 -0.001 0.000 1.341 522 F CB 0.473 39.462 39.000 -0.018 0.000 1.104 522 F HN 0.229 nan 8.300 nan 0.000 0.603 523 S N 1.018 116.837 115.700 0.198 0.000 2.655 523 S HA 0.088 4.475 4.470 -0.140 0.000 0.265 523 S C 0.676 175.320 174.600 0.074 0.000 1.240 523 S CA -0.956 57.302 58.200 0.097 0.000 0.986 523 S CB 1.184 64.414 63.200 0.050 0.000 0.985 523 S HN 0.598 nan 8.310 nan 0.000 0.562 524 D N 1.110 121.538 120.400 0.046 0.000 2.178 524 D HA -0.030 4.526 4.640 -0.140 0.000 0.201 524 D C 2.328 178.635 176.300 0.013 0.000 0.980 524 D CA 1.656 55.676 54.000 0.033 0.000 0.842 524 D CB -0.578 40.236 40.800 0.024 0.000 0.948 524 D HN 0.876 nan 8.370 nan 0.000 0.472 525 E N 1.273 121.473 120.200 0.000 0.000 2.072 525 E HA -0.132 4.134 4.350 -0.140 0.000 0.191 525 E C 2.068 178.639 176.600 -0.049 0.000 0.985 525 E CA 0.586 56.974 56.400 -0.021 0.000 0.801 525 E CB -0.516 29.171 29.700 -0.023 0.000 0.750 525 E HN 0.126 nan 8.360 nan 0.000 0.452 526 I N 1.150 121.678 120.570 -0.070 0.000 2.252 526 I HA -0.133 3.953 4.170 -0.140 0.000 0.245 526 I C 3.077 179.100 176.117 -0.156 0.000 1.102 526 I CA 1.881 63.076 61.300 -0.175 0.000 1.385 526 I CB -1.275 36.546 38.000 -0.299 0.000 1.064 526 I HN 0.478 nan 8.210 nan 0.000 0.414 527 K N 0.589 120.963 120.400 -0.043 0.000 2.209 527 K HA -0.172 4.064 4.320 -0.140 0.000 0.204 527 K C 1.861 178.458 176.600 -0.006 0.000 1.048 527 K CA 1.255 57.550 56.287 0.013 0.000 0.940 527 K CB -0.565 31.977 32.500 0.071 0.000 0.729 527 K HN 0.371 nan 8.250 nan 0.000 0.451 528 E N 0.087 120.276 120.200 -0.018 0.000 2.028 528 E HA -0.083 4.183 4.350 -0.140 0.000 0.190 528 E C 2.762 179.345 176.600 -0.028 0.000 0.984 528 E CA 1.836 58.227 56.400 -0.014 0.000 0.800 528 E CB -0.500 29.192 29.700 -0.013 0.000 0.758 528 E HN 0.651 nan 8.360 nan 0.000 0.448 529 K N 1.512 121.881 120.400 -0.051 0.000 2.063 529 K HA -0.085 4.151 4.320 -0.140 0.000 0.208 529 K C 2.169 178.735 176.600 -0.058 0.000 1.048 529 K CA 1.490 57.742 56.287 -0.058 0.000 0.928 529 K CB -1.186 31.265 32.500 -0.082 0.000 0.713 529 K HN 0.139 nan 8.250 nan 0.000 0.442 530 I N 0.585 121.109 120.570 -0.078 0.000 2.423 530 I HA -0.277 3.809 4.170 -0.140 0.000 0.254 530 I C 2.318 178.428 176.117 -0.012 0.000 1.151 530 I CA 1.427 62.692 61.300 -0.058 0.000 1.421 530 I CB -0.080 37.878 38.000 -0.071 0.000 1.079 530 I HN 0.354 nan 8.210 nan 0.000 0.431 531 K N 0.884 121.281 120.400 -0.004 0.000 2.288 531 K HA -0.084 4.153 4.320 -0.140 0.000 0.201 531 K C 1.665 178.270 176.600 0.008 0.000 1.048 531 K CA 0.848 57.143 56.287 0.012 0.000 0.956 531 K CB 0.033 32.543 32.500 0.015 0.000 0.746 531 K HN 0.311 nan 8.250 nan 0.000 0.461 532 K N 0.413 120.811 120.400 -0.003 0.000 2.404 532 K HA 0.152 4.388 4.320 -0.140 0.000 0.194 532 K C 0.425 177.023 176.600 -0.003 0.000 1.023 532 K CA -0.058 56.227 56.287 -0.003 0.000 1.094 532 K CB 0.291 32.785 32.500 -0.008 0.000 0.841 532 K HN 0.019 nan 8.250 nan 0.000 0.523 533 L N 1.484 122.704 121.223 -0.004 0.000 2.466 533 L HA 0.069 4.325 4.340 -0.140 0.000 0.257 533 L C 0.864 177.737 176.870 0.006 0.000 1.189 533 L CA -0.370 54.469 54.840 -0.002 0.000 0.813 533 L CB 0.869 42.925 42.059 -0.004 0.000 1.118 533 L HN 0.128 nan 8.230 nan 0.000 0.471 534 S N 0.192 115.897 115.700 0.007 0.000 2.693 534 S HA 0.455 4.841 4.470 -0.140 0.000 0.276 534 S C 0.804 175.412 174.600 0.013 0.000 1.192 534 S CA -0.222 57.984 58.200 0.010 0.000 0.994 534 S CB 1.602 64.806 63.200 0.007 0.000 1.012 534 S HN 0.670 nan 8.310 nan 0.000 0.550 535 A N 1.406 124.234 122.820 0.012 0.000 1.877 535 A HA 0.054 4.290 4.320 -0.140 0.000 0.216 535 A C 2.405 179.997 177.584 0.013 0.000 1.186 535 A CA 2.227 54.272 52.037 0.012 0.000 0.620 535 A CB -1.911 17.095 19.000 0.010 0.000 0.822 535 A HN 1.263 nan 8.150 nan 0.000 0.443 536 K N -0.410 119.996 120.400 0.010 0.000 2.152 536 K HA -0.125 4.112 4.320 -0.140 0.000 0.206 536 K C 2.178 178.788 176.600 0.016 0.000 1.048 536 K CA 2.303 58.594 56.287 0.008 0.000 0.933 536 K CB -1.112 31.390 32.500 0.003 0.000 0.721 536 K HN 0.526 nan 8.250 nan 0.000 0.447 537 S N 0.281 115.993 115.700 0.020 0.000 2.406 537 S HA 0.134 4.520 4.470 -0.140 0.000 0.224 537 S C 2.036 176.665 174.600 0.047 0.000 1.030 537 S CA 0.839 59.057 58.200 0.029 0.000 0.958 537 S CB -0.102 63.110 63.200 0.020 0.000 0.811 537 S HN 0.445 nan 8.310 nan 0.000 0.489 538 L N 1.951 123.199 121.223 0.042 0.000 2.093 538 L HA -0.084 4.172 4.340 -0.140 0.000 0.208 538 L C 2.048 178.960 176.870 0.069 0.000 1.085 538 L CA 0.824 55.698 54.840 0.057 0.000 0.755 538 L CB -0.584 41.498 42.059 0.038 0.000 0.904 538 L HN 0.292 nan 8.230 nan 0.000 0.435 539 N N -0.155 118.576 118.700 0.051 0.000 2.331 539 N HA -0.185 4.471 4.740 -0.140 0.000 0.180 539 N C 1.810 177.372 175.510 0.086 0.000 1.019 539 N CA 0.955 54.039 53.050 0.056 0.000 0.881 539 N CB 0.023 38.526 38.487 0.026 0.000 0.972 539 N HN 0.298 nan 8.380 nan 0.000 0.435 540 E N 1.055 121.302 120.200 0.079 0.000 2.107 540 E HA 0.050 4.316 4.350 -0.140 0.000 0.191 540 E C 1.938 178.632 176.600 0.157 0.000 0.982 540 E CA 0.845 57.306 56.400 0.103 0.000 0.809 540 E CB -0.041 29.700 29.700 0.067 0.000 0.756 540 E HN 0.263 nan 8.360 nan 0.000 0.459 541 M N -0.465 119.227 119.600 0.155 0.000 2.156 541 M HA -0.059 4.337 4.480 -0.140 0.000 0.264 541 M C 2.044 178.428 176.300 0.141 0.000 1.067 541 M CA 0.832 56.265 55.300 0.222 0.000 1.131 541 M CB -0.205 32.563 32.600 0.282 0.000 1.368 541 M HN 0.201 nan 8.290 nan 0.000 0.416 542 L N 0.074 121.377 121.223 0.134 0.000 2.131 542 L HA -0.161 4.096 4.340 -0.140 0.000 0.210 542 L C 2.087 178.972 176.870 0.025 0.000 1.092 542 L CA 1.734 56.624 54.840 0.084 0.000 0.759 542 L CB -0.749 41.360 42.059 0.084 0.000 0.903 542 L HN 0.206 nan 8.230 nan 0.000 0.435 543 F N 0.031 119.942 119.950 -0.064 0.000 2.259 543 F HA -0.092 4.351 4.527 -0.139 0.000 0.298 543 F C 2.405 178.109 175.800 -0.159 0.000 1.088 543 F CA 1.274 59.224 58.000 -0.083 0.000 1.358 543 F CB -0.164 38.805 39.000 -0.052 0.000 1.040 543 F HN 0.003 nan 8.300 nan 0.000 0.505 544 R N 0.052 120.369 120.500 -0.306 0.000 2.093 544 R HA 0.033 4.289 4.340 -0.140 0.000 0.224 544 R C 2.497 178.300 176.300 -0.827 0.000 1.101 544 R CA 0.964 56.718 56.100 -0.576 0.000 0.979 544 R CB -0.769 29.223 30.300 -0.514 0.000 0.877 544 R HN 0.336 nan 8.270 nan 0.000 0.441 545 A N 1.428 123.753 122.820 -0.824 0.000 1.908 545 A HA -0.244 3.992 4.320 -0.140 0.000 0.218 545 A C 2.049 179.440 177.584 -0.322 0.000 1.181 545 A CA 1.371 53.088 52.037 -0.533 0.000 0.627 545 A CB -0.378 18.564 19.000 -0.097 0.000 0.818 545 A HN 0.330 nan 8.150 nan 0.000 0.445 546 Q N -1.202 118.408 119.800 -0.316 0.000 2.046 546 Q HA -0.152 4.104 4.340 -0.140 0.000 0.200 546 Q C 2.653 178.465 176.000 -0.313 0.000 0.975 546 Q CA 1.908 57.553 55.803 -0.263 0.000 0.836 546 Q CB -0.372 28.221 28.738 -0.240 0.000 0.896 546 Q HN 0.695 nan 8.270 nan 0.000 0.428 547 R N 0.739 120.953 120.500 -0.477 0.000 2.117 547 R HA -0.161 4.096 4.340 -0.140 0.000 0.243 547 R C 2.137 178.278 176.300 -0.266 0.000 1.143 547 R CA 2.172 58.023 56.100 -0.414 0.000 0.968 547 R CB -1.938 28.048 30.300 -0.523 0.000 0.863 547 R HN 0.318 nan 8.270 nan 0.000 0.444 548 T N -0.074 114.317 114.554 -0.272 0.000 2.737 548 T HA -0.128 4.138 4.350 -0.140 0.000 0.265 548 T C 1.885 176.519 174.700 -0.110 0.000 1.038 548 T CA 1.249 63.243 62.100 -0.176 0.000 1.144 548 T CB -0.244 68.523 68.868 -0.167 0.000 0.866 548 T HN 0.742 nan 8.240 nan 0.000 0.434 549 E N 0.640 120.769 120.200 -0.118 0.000 2.051 549 E HA -0.138 4.128 4.350 -0.140 0.000 0.192 549 E C 2.237 178.794 176.600 -0.070 0.000 0.991 549 E CA 1.119 57.474 56.400 -0.075 0.000 0.799 549 E CB -0.132 29.520 29.700 -0.079 0.000 0.748 549 E HN 0.231 nan 8.360 nan 0.000 0.449 550 V N 1.375 121.229 119.914 -0.100 0.000 2.287 550 V HA -0.311 3.725 4.120 -0.140 0.000 0.248 550 V C 2.499 178.547 176.094 -0.076 0.000 1.053 550 V CA 1.965 64.211 62.300 -0.090 0.000 1.027 550 V CB -0.922 30.834 31.823 -0.112 0.000 0.646 550 V HN 0.470 nan 8.190 nan 0.000 0.447 551 A N 0.433 123.203 122.820 -0.082 0.000 1.902 551 A HA -0.091 4.145 4.320 -0.140 0.000 0.217 551 A C 2.425 179.987 177.584 -0.035 0.000 1.181 551 A CA 1.987 53.984 52.037 -0.067 0.000 0.623 551 A CB -1.232 17.721 19.000 -0.078 0.000 0.818 551 A HN 0.537 nan 8.150 nan 0.000 0.443 552 G N -0.646 108.157 108.800 0.006 0.000 2.421 552 G HA2 -0.223 3.653 3.960 -0.140 0.000 0.216 552 G HA3 -0.223 3.653 3.960 -0.140 0.000 0.216 552 G C 1.536 176.435 174.900 -0.001 0.000 1.171 552 G CA 1.575 46.714 45.100 0.064 0.000 0.775 552 G HN 0.462 nan 8.290 nan 0.000 0.543 553 M N 1.145 120.730 119.600 -0.026 0.000 2.080 553 M HA -0.044 4.352 4.480 -0.140 0.000 0.260 553 M C 2.522 178.786 176.300 -0.059 0.000 1.068 553 M CA 2.270 57.546 55.300 -0.040 0.000 1.109 553 M CB -0.931 31.644 32.600 -0.042 0.000 1.342 553 M HN 0.142 nan 8.290 nan 0.000 0.405 554 T N 0.625 115.139 114.554 -0.068 0.000 2.708 554 T HA -0.073 4.193 4.350 -0.140 0.000 0.266 554 T C 1.817 176.441 174.700 -0.127 0.000 1.037 554 T CA 1.735 63.786 62.100 -0.082 0.000 1.146 554 T CB -0.769 68.061 68.868 -0.064 0.000 0.865 554 T HN 0.570 nan 8.240 nan 0.000 0.435 555 A N 1.836 124.554 122.820 -0.171 0.000 1.902 555 A HA -0.187 4.049 4.320 -0.140 0.000 0.217 555 A C 2.300 179.713 177.584 -0.286 0.000 1.181 555 A CA 2.000 53.842 52.037 -0.325 0.000 0.623 555 A CB -0.703 17.936 19.000 -0.603 0.000 0.818 555 A HN 0.688 nan 8.150 nan 0.000 0.443 556 Q N -0.521 119.186 119.800 -0.156 0.000 2.079 556 Q HA -0.075 4.181 4.340 -0.140 0.000 0.200 556 Q C 1.706 177.642 176.000 -0.107 0.000 0.974 556 Q CA 1.738 57.481 55.803 -0.101 0.000 0.840 556 Q CB -0.436 28.269 28.738 -0.055 0.000 0.898 556 Q HN 0.408 nan 8.270 nan 0.000 0.430 557 I N 1.747 122.261 120.570 -0.093 0.000 2.286 557 I HA -0.223 3.863 4.170 -0.140 0.000 0.248 557 I C 2.272 178.337 176.117 -0.086 0.000 1.115 557 I CA 1.265 62.524 61.300 -0.068 0.000 1.392 557 I CB -1.505 36.467 38.000 -0.046 0.000 1.065 557 I HN 0.541 nan 8.210 nan 0.000 0.418 558 N N 1.379 119.995 118.700 -0.139 0.000 2.043 558 N HA -0.216 4.440 4.740 -0.140 0.000 0.193 558 N C 1.899 177.298 175.510 -0.185 0.000 1.037 558 N CA 1.343 54.286 53.050 -0.178 0.000 0.851 558 N CB 0.038 38.378 38.487 -0.245 0.000 1.027 558 N HN 0.210 nan 8.380 nan 0.000 0.422 559 R N 1.465 121.833 120.500 -0.220 0.000 2.091 559 R HA -0.076 4.180 4.340 -0.140 0.000 0.238 559 R C 2.168 178.436 176.300 -0.054 0.000 1.136 559 R CA 0.687 56.681 56.100 -0.177 0.000 0.959 559 R CB -0.903 29.308 30.300 -0.148 0.000 0.856 559 R HN 0.347 nan 8.270 nan 0.000 0.437 560 K N 1.304 121.672 120.400 -0.054 0.000 2.063 560 K HA -0.096 4.140 4.320 -0.140 0.000 0.208 560 K C 2.172 178.807 176.600 0.058 0.000 1.048 560 K CA 1.238 57.519 56.287 -0.010 0.000 0.928 560 K CB -0.263 32.214 32.500 -0.038 0.000 0.713 560 K HN 0.183 nan 8.250 nan 0.000 0.442 561 L N 0.788 122.047 121.223 0.059 0.000 2.083 561 L HA -0.180 4.076 4.340 -0.140 0.000 0.209 561 L C 2.520 179.500 176.870 0.184 0.000 1.083 561 L CA 0.808 55.731 54.840 0.139 0.000 0.752 561 L CB -0.370 41.780 42.059 0.152 0.000 0.899 561 L HN 0.152 nan 8.230 nan 0.000 0.433 562 L N -0.466 120.837 121.223 0.133 0.000 2.056 562 L HA -0.216 4.041 4.340 -0.140 0.000 0.207 562 L C 2.502 179.700 176.870 0.547 0.000 1.078 562 L CA 1.287 56.265 54.840 0.230 0.000 0.749 562 L CB -0.412 41.620 42.059 -0.045 0.000 0.901 562 L HN 0.194 nan 8.230 nan 0.000 0.433 563 I N 0.257 121.059 120.570 0.387 0.000 2.163 563 I HA -0.306 3.780 4.170 -0.140 0.000 0.243 563 I C 1.957 178.260 176.117 0.310 0.000 1.085 563 I CA 1.296 62.827 61.300 0.385 0.000 1.347 563 I CB -0.393 37.786 38.000 0.299 0.000 1.044 563 I HN 0.363 nan 8.210 nan 0.000 0.408 564 N N 0.227 119.080 118.700 0.255 0.000 2.494 564 N HA -0.075 4.581 4.740 -0.140 0.000 0.182 564 N C 1.777 177.444 175.510 0.263 0.000 1.076 564 N CA 1.301 54.486 53.050 0.226 0.000 0.908 564 N CB -0.058 38.526 38.487 0.161 0.000 0.967 564 N HN 0.393 nan 8.380 nan 0.000 0.449 565 S N -0.579 115.308 115.700 0.311 0.000 2.535 565 S HA 0.101 4.488 4.470 -0.140 0.000 0.214 565 S C 1.724 176.447 174.600 0.206 0.000 0.980 565 S CA -0.320 58.051 58.200 0.286 0.000 0.907 565 S CB -0.037 63.349 63.200 0.310 0.000 0.790 565 S HN 0.098 nan 8.310 nan 0.000 0.510 566 L N 1.322 122.630 121.223 0.141 0.000 2.017 566 L HA 0.036 4.292 4.340 -0.140 0.000 0.208 566 L C 2.202 178.927 176.870 -0.240 0.000 1.073 566 L CA 1.869 56.471 54.840 -0.397 0.000 0.745 566 L CB -1.249 40.423 42.059 -0.645 0.000 0.894 566 L HN 0.427 nan 8.230 nan 0.000 0.432 567 Y N 0.446 120.680 120.300 -0.110 0.000 2.128 567 Y HA -0.145 4.318 4.550 -0.145 0.000 0.284 567 Y C 2.281 178.156 175.900 -0.042 0.000 1.154 567 Y CA 1.832 59.890 58.100 -0.071 0.000 1.149 567 Y CB -1.016 37.479 38.460 0.058 0.000 0.976 567 Y HN 0.201 nan 8.280 nan 0.000 0.505 568 G N -0.180 108.518 108.800 -0.169 0.000 2.442 568 G HA2 -0.272 3.604 3.960 -0.140 0.000 0.219 568 G HA3 -0.272 3.604 3.960 -0.140 0.000 0.219 568 G C 1.813 176.575 174.900 -0.229 0.000 1.141 568 G CA 1.141 46.118 45.100 -0.205 0.000 0.763 568 G HN 0.657 nan 8.290 nan 0.000 0.554 569 A N 0.602 123.245 122.820 -0.295 0.000 1.873 569 A HA 0.149 4.386 4.320 -0.140 0.000 0.215 569 A C 2.377 179.735 177.584 -0.377 0.000 1.186 569 A CA 1.120 52.853 52.037 -0.506 0.000 0.616 569 A CB -0.413 17.993 19.000 -0.990 0.000 0.823 569 A HN 0.338 nan 8.150 nan 0.000 0.442 570 L N -0.640 120.417 121.223 -0.277 0.000 2.265 570 L HA -0.096 4.160 4.340 -0.140 0.000 0.215 570 L C 2.238 179.099 176.870 -0.014 0.000 1.117 570 L CA 0.803 55.645 54.840 0.002 0.000 0.782 570 L CB -0.290 41.712 42.059 -0.095 0.000 0.914 570 L HN 0.504 nan 8.230 nan 0.000 0.441 571 G N -1.271 107.448 108.800 -0.135 0.000 3.284 571 G HA2 -0.052 3.824 3.960 -0.140 0.000 0.236 571 G HA3 -0.052 3.824 3.960 -0.140 0.000 0.236 571 G C 0.257 175.300 174.900 0.238 0.000 1.158 571 G CA -0.265 44.854 45.100 0.032 0.000 0.774 571 G HN 0.149 nan 8.290 nan 0.000 0.545 572 N N 1.155 119.966 118.700 0.185 0.000 2.424 572 N HA 0.109 4.765 4.740 -0.140 0.000 0.271 572 N C 1.590 177.005 175.510 -0.159 0.000 0.985 572 N CA -0.384 52.713 53.050 0.078 0.000 0.921 572 N CB 2.247 40.812 38.487 0.130 0.000 1.149 572 N HN -0.043 nan 8.380 nan 0.000 0.492 573 V N 1.787 121.374 119.914 -0.545 0.000 3.140 573 V HA -0.071 3.965 4.120 -0.140 0.000 0.269 573 V C 0.940 176.672 176.094 -0.604 0.000 1.149 573 V CA 0.945 62.654 62.300 -0.985 0.000 1.162 573 V CB -1.006 30.294 31.823 -0.872 0.000 0.756 573 V HN 0.640 nan 8.190 nan 0.000 0.523 574 W N -1.554 119.714 121.300 -0.052 0.000 3.211 574 W HA 0.448 5.023 4.660 -0.141 0.000 0.292 574 W C 0.893 177.507 176.519 0.157 0.000 1.268 574 W CA -0.907 56.459 57.345 0.035 0.000 1.702 574 W CB -0.059 29.413 29.460 0.020 0.000 1.092 574 W HN 0.145 nan 8.180 nan 0.000 0.643 575 F N 2.428 122.484 119.950 0.177 0.000 2.495 575 F HA 0.160 4.609 4.527 -0.131 0.000 0.365 575 F C 1.872 177.743 175.800 0.118 0.000 1.090 575 F CA -0.956 57.152 58.000 0.180 0.000 1.235 575 F CB 0.727 39.849 39.000 0.202 0.000 1.119 575 F HN -0.172 nan 8.300 nan 0.000 0.562 576 R N 3.430 123.716 120.500 -0.357 0.000 2.170 576 R HA -0.201 4.055 4.340 -0.140 0.000 0.242 576 R C 0.412 176.170 176.300 -0.903 0.000 1.145 576 R CA 1.790 57.501 56.100 -0.648 0.000 0.984 576 R CB -0.195 29.581 30.300 -0.873 0.000 0.869 576 R HN 0.731 nan 8.270 nan 0.000 0.455 577 Y N -1.671 118.222 120.300 -0.679 0.000 2.607 577 Y HA 0.111 4.576 4.550 -0.142 0.000 0.266 577 Y C -0.304 175.541 175.900 -0.090 0.000 1.178 577 Y CA -0.935 56.944 58.100 -0.368 0.000 1.226 577 Y CB -0.128 38.057 38.460 -0.458 0.000 1.144 577 Y HN 0.020 nan 8.280 nan 0.000 0.528 578 Y N 2.319 122.604 120.300 -0.025 0.000 2.411 578 Y HA 0.311 4.777 4.550 -0.141 0.000 0.333 578 Y C -0.170 175.602 175.900 -0.213 0.000 1.186 578 Y CA -0.361 57.720 58.100 -0.032 0.000 1.381 578 Y CB 0.661 39.098 38.460 -0.038 0.000 1.273 578 Y HN 0.179 nan 8.280 nan 0.000 0.546 579 D N 6.241 126.011 120.400 -1.051 0.000 2.738 579 D HA -0.004 4.552 4.640 -0.140 0.000 0.218 579 D C 0.011 175.711 176.300 -1.001 0.000 1.345 579 D CA -0.464 53.034 54.000 -0.835 0.000 0.943 579 D CB 1.511 42.111 40.800 -0.333 0.000 1.514 579 D HN 0.726 nan 8.370 nan 0.000 0.585 580 L N 5.205 125.886 121.223 -0.903 0.000 2.043 580 L HA -0.115 4.142 4.340 -0.140 0.000 0.212 580 L C 2.234 178.890 176.870 -0.356 0.000 1.075 580 L CA 1.955 56.472 54.840 -0.537 0.000 0.752 580 L CB -0.283 41.671 42.059 -0.176 0.000 0.891 580 L HN 0.449 nan 8.230 nan 0.000 0.432 581 R N -0.931 119.412 120.500 -0.262 0.000 2.092 581 R HA -0.093 4.163 4.340 -0.140 0.000 0.231 581 R C 1.969 178.183 176.300 -0.144 0.000 1.119 581 R CA 1.272 57.273 56.100 -0.165 0.000 0.970 581 R CB -0.402 29.821 30.300 -0.127 0.000 0.864 581 R HN 0.443 nan 8.270 nan 0.000 0.440 582 N N 0.747 119.335 118.700 -0.187 0.000 2.216 582 N HA -0.076 4.580 4.740 -0.140 0.000 0.183 582 N C 1.608 176.974 175.510 -0.240 0.000 1.017 582 N CA 1.370 54.337 53.050 -0.137 0.000 0.861 582 N CB -0.305 38.095 38.487 -0.144 0.000 0.986 582 N HN 0.189 nan 8.380 nan 0.000 0.428 583 A N 0.349 122.914 122.820 -0.424 0.000 1.877 583 A HA -0.123 4.113 4.320 -0.140 0.000 0.216 583 A C 2.301 179.653 177.584 -0.387 0.000 1.186 583 A CA 2.045 53.730 52.037 -0.587 0.000 0.620 583 A CB -1.114 17.166 19.000 -1.199 0.000 0.822 583 A HN 0.304 nan 8.150 nan 0.000 0.443 584 T N 0.210 114.601 114.554 -0.272 0.000 2.867 584 T HA 0.052 4.318 4.350 -0.140 0.000 0.268 584 T C 2.145 176.848 174.700 0.004 0.000 1.057 584 T CA 1.309 63.388 62.100 -0.035 0.000 1.136 584 T CB -0.355 68.507 68.868 -0.009 0.000 0.874 584 T HN 0.587 nan 8.240 nan 0.000 0.466 585 A N 1.077 123.884 122.820 -0.022 0.000 1.930 585 A HA 0.019 4.256 4.320 -0.140 0.000 0.217 585 A C 2.232 179.843 177.584 0.046 0.000 1.175 585 A CA 1.043 53.106 52.037 0.044 0.000 0.627 585 A CB -0.659 18.404 19.000 0.105 0.000 0.815 585 A HN 0.507 nan 8.150 nan 0.000 0.443 586 I N 0.145 120.690 120.570 -0.042 0.000 2.163 586 I HA -0.227 3.859 4.170 -0.140 0.000 0.240 586 I C 2.905 179.039 176.117 0.029 0.000 1.081 586 I CA 1.888 63.147 61.300 -0.069 0.000 1.353 586 I CB -0.603 37.287 38.000 -0.182 0.000 1.054 586 I HN 0.519 nan 8.210 nan 0.000 0.407 587 T N -2.606 111.952 114.554 0.007 0.000 2.867 587 T HA -0.125 4.141 4.350 -0.140 0.000 0.268 587 T C 1.787 176.604 174.700 0.195 0.000 1.057 587 T CA 1.741 63.911 62.100 0.118 0.000 1.136 587 T CB -0.812 68.170 68.868 0.190 0.000 0.874 587 T HN 0.221 nan 8.240 nan 0.000 0.466 588 T N 1.253 115.903 114.554 0.160 0.000 2.821 588 T HA 0.080 4.346 4.350 -0.140 0.000 0.267 588 T C 1.305 176.090 174.700 0.143 0.000 1.046 588 T CA 0.982 63.164 62.100 0.136 0.000 1.139 588 T CB -0.571 68.351 68.868 0.091 0.000 0.871 588 T HN 0.404 nan 8.240 nan 0.000 0.454 589 F N 2.129 122.093 119.950 0.023 0.000 2.171 589 F HA 0.056 4.498 4.527 -0.141 0.000 0.300 589 F C 2.343 178.166 175.800 0.040 0.000 1.090 589 F CA 1.110 59.109 58.000 -0.000 0.000 1.293 589 F CB -0.771 38.207 39.000 -0.037 0.000 1.013 589 F HN 0.167 nan 8.300 nan 0.000 0.486 590 G N -0.456 108.561 108.800 0.362 0.000 2.418 590 G HA2 -0.248 3.628 3.960 -0.140 0.000 0.217 590 G HA3 -0.248 3.628 3.960 -0.140 0.000 0.217 590 G C 1.509 176.523 174.900 0.189 0.000 1.158 590 G CA 0.753 46.033 45.100 0.300 0.000 0.771 590 G HN 0.429 nan 8.290 nan 0.000 0.545 591 Q N -0.650 119.254 119.800 0.173 0.000 2.084 591 Q HA -0.069 4.187 4.340 -0.140 0.000 0.202 591 Q C 2.472 178.474 176.000 0.004 0.000 0.978 591 Q CA 1.345 57.222 55.803 0.124 0.000 0.844 591 Q CB -0.269 28.547 28.738 0.131 0.000 0.898 591 Q HN 0.591 nan 8.270 nan 0.000 0.426 592 M N 0.316 119.903 119.600 -0.022 0.000 2.099 592 M HA -0.146 4.251 4.480 -0.140 0.000 0.262 592 M C 2.143 178.446 176.300 0.004 0.000 1.067 592 M CA 1.699 56.974 55.300 -0.042 0.000 1.124 592 M CB -0.151 32.355 32.600 -0.158 0.000 1.353 592 M HN 0.188 nan 8.290 nan 0.000 0.410 593 A N 0.565 123.348 122.820 -0.061 0.000 1.908 593 A HA -0.197 4.039 4.320 -0.140 0.000 0.218 593 A C 1.999 179.757 177.584 0.290 0.000 1.181 593 A CA 1.698 53.806 52.037 0.118 0.000 0.627 593 A CB -1.038 18.025 19.000 0.105 0.000 0.818 593 A HN 0.581 nan 8.150 nan 0.000 0.445 594 L N -0.327 121.014 121.223 0.197 0.000 2.056 594 L HA -0.158 4.098 4.340 -0.140 0.000 0.207 594 L C 2.529 179.471 176.870 0.120 0.000 1.078 594 L CA 2.172 57.135 54.840 0.205 0.000 0.749 594 L CB -0.558 41.645 42.059 0.239 0.000 0.901 594 L HN 0.502 nan 8.230 nan 0.000 0.433 595 Q N -1.826 117.970 119.800 -0.007 0.000 2.187 595 Q HA -0.206 4.051 4.340 -0.140 0.000 0.199 595 Q C 1.950 177.968 176.000 0.030 0.000 0.957 595 Q CA 1.305 57.046 55.803 -0.103 0.000 0.857 595 Q CB -0.440 28.102 28.738 -0.328 0.000 0.929 595 Q HN 0.688 nan 8.270 nan 0.000 0.453 596 W N 1.277 122.524 121.300 -0.088 0.000 2.355 596 W HA -0.182 4.394 4.660 -0.140 0.000 0.309 596 W C 1.668 178.088 176.519 -0.165 0.000 1.206 596 W CA 0.938 58.229 57.345 -0.090 0.000 1.284 596 W CB -0.264 29.166 29.460 -0.050 0.000 1.145 596 W HN 0.131 nan 8.180 nan 0.000 0.502 597 I N 1.692 122.352 120.570 0.150 0.000 2.493 597 I HA -0.223 3.863 4.170 -0.140 0.000 0.254 597 I C 2.561 178.608 176.117 -0.118 0.000 1.160 597 I CA 2.006 63.222 61.300 -0.138 0.000 1.445 597 I CB -0.782 37.033 38.000 -0.309 0.000 1.086 597 I HN 0.124 nan 8.210 nan 0.000 0.433 598 E N 0.482 120.659 120.200 -0.037 0.000 2.077 598 E HA -0.310 3.956 4.350 -0.140 0.000 0.193 598 E C 2.463 179.022 176.600 -0.068 0.000 0.989 598 E CA 1.221 57.605 56.400 -0.026 0.000 0.800 598 E CB -0.223 29.488 29.700 0.019 0.000 0.746 598 E HN 0.463 nan 8.360 nan 0.000 0.452 599 R N 0.265 120.691 120.500 -0.124 0.000 2.075 599 R HA -0.120 4.136 4.340 -0.140 0.000 0.232 599 R C 2.209 178.391 176.300 -0.196 0.000 1.126 599 R CA 1.343 57.342 56.100 -0.168 0.000 0.963 599 R CB 0.039 30.186 30.300 -0.256 0.000 0.858 599 R HN -0.035 nan 8.270 nan 0.000 0.435 600 K N 0.305 120.542 120.400 -0.272 0.000 2.057 600 K HA -0.076 4.161 4.320 -0.140 0.000 0.207 600 K C 2.055 178.568 176.600 -0.145 0.000 1.049 600 K CA 1.172 57.312 56.287 -0.246 0.000 0.931 600 K CB -0.417 31.906 32.500 -0.296 0.000 0.714 600 K HN 0.124 nan 8.250 nan 0.000 0.440 601 V N 2.303 122.128 119.914 -0.148 0.000 2.427 601 V HA -0.212 3.824 4.120 -0.140 0.000 0.248 601 V C 1.993 178.066 176.094 -0.035 0.000 1.051 601 V CA 1.529 63.760 62.300 -0.114 0.000 1.048 601 V CB -0.471 31.261 31.823 -0.152 0.000 0.666 601 V HN 0.293 nan 8.190 nan 0.000 0.456 602 N N 0.162 118.863 118.700 0.003 0.000 2.188 602 N HA -0.139 4.517 4.740 -0.140 0.000 0.184 602 N C 1.860 177.409 175.510 0.064 0.000 1.018 602 N CA 1.317 54.430 53.050 0.104 0.000 0.858 602 N CB -0.150 38.402 38.487 0.108 0.000 0.989 602 N HN 0.608 nan 8.380 nan 0.000 0.426 603 E N -0.444 119.753 120.200 -0.004 0.000 2.072 603 E HA -0.188 4.078 4.350 -0.140 0.000 0.191 603 E C 1.648 178.236 176.600 -0.020 0.000 0.985 603 E CA 0.752 57.138 56.400 -0.022 0.000 0.801 603 E CB -0.193 29.466 29.700 -0.068 0.000 0.750 603 E HN 0.426 nan 8.360 nan 0.000 0.452 604 Y N 1.479 121.699 120.300 -0.135 0.000 2.163 604 Y HA -0.178 4.288 4.550 -0.139 0.000 0.288 604 Y C 1.954 177.748 175.900 -0.177 0.000 1.136 604 Y CA 1.347 59.361 58.100 -0.144 0.000 1.147 604 Y CB -0.036 38.330 38.460 -0.157 0.000 0.987 604 Y HN -0.067 nan 8.280 nan 0.000 0.509 605 L N 0.079 121.162 121.223 -0.234 0.000 2.056 605 L HA -0.238 4.018 4.340 -0.140 0.000 0.207 605 L C 2.246 178.824 176.870 -0.486 0.000 1.078 605 L CA 1.271 55.733 54.840 -0.630 0.000 0.749 605 L CB -0.736 40.442 42.059 -1.468 0.000 0.901 605 L HN 0.323 nan 8.230 nan 0.000 0.433 606 N N 0.063 118.700 118.700 -0.104 0.000 2.149 606 N HA -0.239 4.418 4.740 -0.140 0.000 0.188 606 N C 1.769 177.279 175.510 0.000 0.000 1.019 606 N CA 1.447 54.603 53.050 0.177 0.000 0.857 606 N CB -0.002 38.595 38.487 0.184 0.000 0.997 606 N HN 0.455 nan 8.380 nan 0.000 0.426 607 E N 0.918 121.049 120.200 -0.115 0.000 2.007 607 E HA -0.141 4.126 4.350 -0.140 0.000 0.194 607 E C 1.958 178.449 176.600 -0.181 0.000 0.999 607 E CA 1.658 57.968 56.400 -0.151 0.000 0.811 607 E CB 0.034 29.611 29.700 -0.205 0.000 0.762 607 E HN 0.170 nan 8.360 nan 0.000 0.450 608 V N -0.675 119.046 119.914 -0.322 0.000 3.026 608 V HA -0.149 3.888 4.120 -0.140 0.000 0.265 608 V C 1.876 177.925 176.094 -0.075 0.000 1.121 608 V CA 1.410 63.563 62.300 -0.245 0.000 1.142 608 V CB -0.661 30.939 31.823 -0.373 0.000 0.730 608 V HN 0.387 nan 8.190 nan 0.000 0.503 609 C N 1.093 120.368 119.300 -0.042 0.000 2.791 609 C HA 0.622 4.998 4.460 -0.140 0.000 0.270 609 C C 2.044 177.065 174.990 0.050 0.000 1.257 609 C CA 0.246 59.296 59.018 0.054 0.000 1.699 609 C CB -1.118 26.718 27.740 0.160 0.000 1.904 609 C HN 1.013 nan 8.230 nan 0.000 0.603 610 G N 1.660 110.468 108.800 0.014 0.000 2.160 610 G HA2 -0.226 3.650 3.960 -0.140 0.000 0.251 610 G HA3 -0.226 3.650 3.960 -0.140 0.000 0.251 610 G C 0.173 175.088 174.900 0.025 0.000 1.008 610 G CA 0.852 45.959 45.100 0.011 0.000 0.724 610 G HN 0.565 nan 8.290 nan 0.000 0.514 611 T N -1.104 113.480 114.554 0.049 0.000 2.927 611 T HA 0.700 4.966 4.350 -0.140 0.000 0.286 611 T C -0.862 173.868 174.700 0.050 0.000 1.040 611 T CA -0.167 61.967 62.100 0.056 0.000 1.010 611 T CB 1.559 70.482 68.868 0.091 0.000 1.177 611 T HN 0.275 nan 8.240 nan 0.000 0.546 612 E N -0.088 120.132 120.200 0.033 0.000 2.275 612 E HA 0.557 4.823 4.350 -0.140 0.000 0.270 612 E C 0.425 177.032 176.600 0.012 0.000 0.882 612 E CA -0.160 56.253 56.400 0.021 0.000 0.758 612 E CB 1.611 31.312 29.700 0.001 0.000 1.195 612 E HN 0.994 nan 8.360 nan 0.000 0.419 613 G N 1.785 110.595 108.800 0.017 0.000 2.162 613 G HA2 -0.263 3.613 3.960 -0.140 0.000 0.260 613 G HA3 -0.263 3.613 3.960 -0.140 0.000 0.260 613 G C -0.010 174.878 174.900 -0.020 0.000 0.976 613 G CA -0.057 45.041 45.100 -0.002 0.000 0.655 613 G HN 0.387 nan 8.290 nan 0.000 0.533 614 E N 0.157 120.343 120.200 -0.024 0.000 2.366 614 E HA 0.542 4.809 4.350 -0.140 0.000 0.266 614 E C 0.491 176.995 176.600 -0.160 0.000 1.051 614 E CA 0.378 56.680 56.400 -0.164 0.000 0.884 614 E CB 1.304 30.793 29.700 -0.351 0.000 1.006 614 E HN 0.779 nan 8.360 nan 0.000 0.417 615 A N 3.587 126.280 122.820 -0.211 0.000 2.478 615 A HA 0.324 4.560 4.320 -0.140 0.000 0.327 615 A C 0.248 177.740 177.584 -0.153 0.000 1.431 615 A CA -0.457 51.519 52.037 -0.100 0.000 1.014 615 A CB -0.490 18.477 19.000 -0.055 0.000 1.143 615 A HN 0.541 nan 8.150 nan 0.000 0.532 616 F N 2.025 121.983 119.950 0.013 0.000 2.234 616 F HA -0.009 4.434 4.527 -0.140 0.000 0.296 616 F C 1.232 177.041 175.800 0.015 0.000 1.089 616 F CA 0.850 58.865 58.000 0.025 0.000 1.343 616 F CB 0.104 39.124 39.000 0.033 0.000 1.040 616 F HN 0.272 nan 8.300 nan 0.000 0.498 617 V N 3.591 123.612 119.914 0.179 0.000 2.397 617 V HA -0.037 3.999 4.120 -0.140 0.000 0.262 617 V C 0.976 177.071 176.094 0.003 0.000 1.047 617 V CA -0.047 62.307 62.300 0.090 0.000 1.003 617 V CB 0.464 32.335 31.823 0.079 0.000 1.037 617 V HN 0.266 nan 8.190 nan 0.000 0.480 618 L N 4.235 125.398 121.223 -0.100 0.000 2.375 618 L HA 0.461 4.717 4.340 -0.140 0.000 0.215 618 L C 0.337 177.013 176.870 -0.325 0.000 1.108 618 L CA 0.878 55.544 54.840 -0.290 0.000 0.830 618 L CB -0.195 41.474 42.059 -0.651 0.000 0.959 618 L HN 0.511 nan 8.230 nan 0.000 0.457 619 Y N -0.813 119.246 120.300 -0.401 0.000 2.677 619 Y HA 0.659 5.123 4.550 -0.143 0.000 0.334 619 Y C -0.762 175.125 175.900 -0.022 0.000 1.196 619 Y CA -0.624 57.257 58.100 -0.365 0.000 1.059 619 Y CB 1.530 39.462 38.460 -0.879 0.000 1.315 619 Y HN -0.003 nan 8.280 nan 0.000 0.455 620 G N 2.343 110.675 108.800 -0.780 0.000 2.702 620 G HA2 0.446 4.322 3.960 -0.140 0.000 0.296 620 G HA3 0.446 4.322 3.960 -0.140 0.000 0.296 620 G C -2.734 171.734 174.900 -0.720 0.000 1.463 620 G CA -0.593 44.257 45.100 -0.416 0.000 0.890 620 G HN 0.506 nan 8.290 nan 0.000 0.534 621 D N 0.395 120.614 120.400 -0.301 0.000 2.470 621 D HA 0.493 5.049 4.640 -0.140 0.000 0.233 621 D C 1.074 177.370 176.300 -0.007 0.000 1.372 621 D CA 0.730 54.610 54.000 -0.200 0.000 0.994 621 D CB 1.117 41.860 40.800 -0.096 0.000 1.377 621 D HN 0.565 nan 8.370 nan 0.000 0.586 622 T N 2.735 117.304 114.554 0.026 0.000 13.132 622 T HA -0.300 3.966 4.350 -0.140 0.000 0.419 622 T C 0.613 175.331 174.700 0.030 0.000 1.442 622 T CA 2.060 64.190 62.100 0.049 0.000 2.366 622 T CB -1.166 67.702 68.868 0.001 0.000 2.813 622 T HN 0.634 nan 8.240 nan 0.000 0.650 623 D N 0.942 121.350 120.400 0.013 0.000 2.556 623 D HA 0.429 4.985 4.640 -0.140 0.000 0.237 623 D C -0.215 176.130 176.300 0.074 0.000 1.296 623 D CA -0.031 53.976 54.000 0.012 0.000 0.807 623 D CB 0.346 41.099 40.800 -0.079 0.000 1.084 623 D HN 0.487 nan 8.370 nan 0.000 0.510 624 S N 0.246 116.007 115.700 0.103 0.000 2.570 624 S HA 0.786 5.172 4.470 -0.140 0.000 0.286 624 S C -0.305 174.370 174.600 0.125 0.000 1.099 624 S CA -0.951 57.317 58.200 0.113 0.000 0.913 624 S CB 1.931 65.223 63.200 0.152 0.000 1.085 624 S HN 0.358 nan 8.310 nan 0.000 0.480 625 I N -1.059 119.556 120.570 0.076 0.000 2.686 625 I HA 0.672 4.758 4.170 -0.140 0.000 0.295 625 I C -2.052 174.067 176.117 0.003 0.000 1.114 625 I CA -1.031 60.342 61.300 0.123 0.000 1.038 625 I CB 1.655 39.729 38.000 0.123 0.000 1.238 625 I HN 0.501 nan 8.210 nan 0.000 0.420 626 Y N 4.306 124.662 120.300 0.093 0.000 2.328 626 Y HA 0.585 5.050 4.550 -0.142 0.000 0.333 626 Y C -0.157 175.766 175.900 0.038 0.000 0.958 626 Y CA -0.899 57.253 58.100 0.087 0.000 1.167 626 Y CB 2.028 40.491 38.460 0.005 0.000 1.151 626 Y HN 0.326 nan 8.280 nan 0.000 0.470 627 V N 2.527 122.581 119.914 0.233 0.000 2.439 627 V HA 0.292 4.328 4.120 -0.140 0.000 0.282 627 V C 0.252 176.480 176.094 0.222 0.000 1.039 627 V CA -0.835 61.602 62.300 0.228 0.000 0.913 627 V CB 1.679 33.678 31.823 0.294 0.000 0.983 627 V HN 0.779 nan 8.190 nan 0.000 0.460 628 S N 3.571 119.396 115.700 0.208 0.000 2.448 628 S HA 0.444 4.831 4.470 -0.140 0.000 0.279 628 S C 0.867 175.633 174.600 0.276 0.000 1.195 628 S CA 0.002 58.340 58.200 0.231 0.000 1.051 628 S CB 0.792 64.111 63.200 0.198 0.000 0.948 628 S HN 1.014 nan 8.310 nan 0.000 0.493 629 A N 4.393 127.360 122.820 0.244 0.000 2.415 629 A HA 0.244 4.480 4.320 -0.140 0.000 0.248 629 A C 1.219 178.853 177.584 0.084 0.000 1.299 629 A CA -0.158 51.970 52.037 0.152 0.000 0.899 629 A CB -0.228 18.831 19.000 0.098 0.000 0.997 629 A HN 0.792 nan 8.150 nan 0.000 0.506 630 D N 0.975 121.469 120.400 0.157 0.000 2.087 630 D HA -0.149 4.407 4.640 -0.140 0.000 0.192 630 D C 1.687 178.010 176.300 0.039 0.000 0.993 630 D CA 1.225 55.288 54.000 0.105 0.000 0.828 630 D CB 0.041 40.921 40.800 0.133 0.000 0.968 630 D HN 0.170 nan 8.370 nan 0.000 0.448 631 K N 0.356 120.815 120.400 0.099 0.000 2.211 631 K HA -0.064 4.172 4.320 -0.140 0.000 0.204 631 K C 2.252 178.919 176.600 0.113 0.000 1.047 631 K CA 0.408 56.767 56.287 0.121 0.000 0.935 631 K CB -0.306 32.325 32.500 0.217 0.000 0.728 631 K HN 0.343 nan 8.250 nan 0.000 0.452 632 I N 0.618 121.234 120.570 0.076 0.000 2.353 632 I HA -0.216 3.871 4.170 -0.140 0.000 0.248 632 I C 2.020 178.173 176.117 0.061 0.000 1.119 632 I CA 0.681 61.975 61.300 -0.010 0.000 1.417 632 I CB -0.154 37.689 38.000 -0.262 0.000 1.078 632 I HN -0.003 nan 8.210 nan 0.000 0.421 633 I N 0.617 121.151 120.570 -0.061 0.000 2.286 633 I HA -0.213 3.873 4.170 -0.140 0.000 0.245 633 I C 2.101 178.182 176.117 -0.060 0.000 1.104 633 I CA 1.509 62.731 61.300 -0.130 0.000 1.397 633 I CB -1.209 36.444 38.000 -0.578 0.000 1.072 633 I HN 0.255 nan 8.210 nan 0.000 0.417 634 D N 0.932 121.302 120.400 -0.050 0.000 2.144 634 D HA -0.206 4.350 4.640 -0.140 0.000 0.199 634 D C 2.057 178.355 176.300 -0.004 0.000 0.984 634 D CA 1.029 55.017 54.000 -0.021 0.000 0.834 634 D CB -0.035 40.762 40.800 -0.004 0.000 0.955 634 D HN 0.146 nan 8.370 nan 0.000 0.465 635 K N 1.202 121.616 120.400 0.024 0.000 2.044 635 K HA -0.124 4.112 4.320 -0.140 0.000 0.210 635 K C 1.967 178.570 176.600 0.004 0.000 1.049 635 K CA 0.981 57.290 56.287 0.036 0.000 0.927 635 K CB -0.590 31.960 32.500 0.084 0.000 0.713 635 K HN -0.046 nan 8.250 nan 0.000 0.443 636 V N -1.150 118.753 119.914 -0.019 0.000 2.231 636 V HA 0.102 4.138 4.120 -0.140 0.000 0.240 636 V C 0.963 176.967 176.094 -0.150 0.000 1.039 636 V CA 1.602 63.826 62.300 -0.126 0.000 0.998 636 V CB -0.532 31.101 31.823 -0.317 0.000 0.639 636 V HN 0.632 nan 8.190 nan 0.000 0.451 637 G N -0.463 108.260 108.800 -0.128 0.000 2.380 637 G HA2 0.072 3.948 3.960 -0.140 0.000 0.250 637 G HA3 0.072 3.948 3.960 -0.140 0.000 0.250 637 G C -0.182 174.679 174.900 -0.064 0.000 1.578 637 G CA 0.183 45.220 45.100 -0.104 0.000 0.974 637 G HN 0.174 nan 8.290 nan 0.000 0.680 638 E N 1.751 121.955 120.200 0.007 0.000 2.021 638 E HA -0.203 4.063 4.350 -0.140 0.000 0.200 638 E C 2.764 179.432 176.600 0.113 0.000 1.015 638 E CA 3.067 59.517 56.400 0.083 0.000 0.824 638 E CB -0.242 29.479 29.700 0.036 0.000 0.762 638 E HN 1.040 nan 8.360 nan 0.000 0.454 639 S N 0.227 115.944 115.700 0.029 0.000 2.423 639 S HA -0.246 4.140 4.470 -0.140 0.000 0.238 639 S C 1.691 176.271 174.600 -0.033 0.000 1.028 639 S CA 1.502 59.712 58.200 0.018 0.000 1.000 639 S CB -0.509 62.688 63.200 -0.005 0.000 0.797 639 S HN 0.295 nan 8.310 nan 0.000 0.487 640 K N 0.354 120.650 120.400 -0.172 0.000 2.574 640 K HA 0.101 4.337 4.320 -0.140 0.000 0.193 640 K C -0.609 175.709 176.600 -0.470 0.000 1.035 640 K CA 0.375 56.455 56.287 -0.344 0.000 0.982 640 K CB -0.243 31.950 32.500 -0.511 0.000 0.795 640 K HN 0.456 nan 8.250 nan 0.000 0.491 641 F N 0.479 120.391 119.950 -0.063 0.000 2.404 641 F HA 0.262 4.705 4.527 -0.139 0.000 0.354 641 F C 1.389 177.313 175.800 0.207 0.000 1.122 641 F CA -0.888 57.106 58.000 -0.010 0.000 1.080 641 F CB 1.251 40.204 39.000 -0.078 0.000 1.131 641 F HN -0.255 nan 8.300 nan 0.000 0.471 642 R N 0.895 121.729 120.500 0.557 0.000 2.070 642 R HA -0.094 4.162 4.340 -0.140 0.000 0.232 642 R C -0.268 176.175 176.300 0.237 0.000 1.138 642 R CA 1.773 58.041 56.100 0.279 0.000 0.936 642 R CB -0.263 30.128 30.300 0.152 0.000 0.839 642 R HN 0.757 nan 8.270 nan 0.000 0.429 643 D N -3.531 117.027 120.400 0.263 0.000 2.636 643 D HA 0.175 4.731 4.640 -0.140 0.000 0.275 643 D C 0.268 176.627 176.300 0.099 0.000 1.130 643 D CA -0.728 53.361 54.000 0.150 0.000 1.031 643 D CB 0.460 41.295 40.800 0.058 0.000 1.451 643 D HN -0.302 nan 8.370 nan 0.000 0.505 644 T N -0.526 113.983 114.554 -0.076 0.000 2.652 644 T HA -0.184 4.082 4.350 -0.140 0.000 0.267 644 T C 1.491 175.646 174.700 -0.908 0.000 1.039 644 T CA 1.987 63.817 62.100 -0.451 0.000 1.153 644 T CB -0.639 67.848 68.868 -0.635 0.000 0.863 644 T HN 0.524 nan 8.240 nan 0.000 0.428 645 N N 0.153 118.543 118.700 -0.517 0.000 2.258 645 N HA -0.146 4.510 4.740 -0.140 0.000 0.187 645 N C 1.599 176.963 175.510 -0.244 0.000 1.012 645 N CA 1.372 54.181 53.050 -0.401 0.000 0.870 645 N CB -0.234 38.145 38.487 -0.178 0.000 0.977 645 N HN 0.641 nan 8.380 nan 0.000 0.434 646 H N -0.907 118.041 119.070 -0.204 0.000 2.293 646 H HA -0.145 4.327 4.556 -0.140 0.000 0.300 646 H C 1.813 177.194 175.328 0.089 0.000 1.082 646 H CA 1.691 57.770 56.048 0.052 0.000 1.308 646 H CB -0.243 29.673 29.762 0.257 0.000 1.375 646 H HN 0.537 nan 8.280 nan 0.000 0.495 647 W N 0.474 121.633 121.300 -0.234 0.000 2.425 647 W HA -0.023 4.553 4.660 -0.141 0.000 0.277 647 W C 1.408 177.807 176.519 -0.199 0.000 1.231 647 W CA 0.579 57.486 57.345 -0.731 0.000 1.248 647 W CB -0.979 27.638 29.460 -1.405 0.000 1.117 647 W HN 0.040 nan 8.180 nan 0.000 0.568 648 V N 2.205 121.750 119.914 -0.615 0.000 2.515 648 V HA -0.278 3.758 4.120 -0.140 0.000 0.250 648 V C 2.132 178.181 176.094 -0.076 0.000 1.058 648 V CA 2.427 64.462 62.300 -0.443 0.000 1.064 648 V CB -0.845 30.559 31.823 -0.697 0.000 0.675 648 V HN -0.033 nan 8.190 nan 0.000 0.461 649 D N -0.485 119.914 120.400 -0.001 0.000 2.117 649 D HA -0.140 4.416 4.640 -0.140 0.000 0.198 649 D C 1.830 178.267 176.300 0.228 0.000 0.982 649 D CA 1.040 55.109 54.000 0.115 0.000 0.828 649 D CB -0.283 40.618 40.800 0.168 0.000 0.967 649 D HN 0.424 nan 8.370 nan 0.000 0.464 650 F N 1.577 121.636 119.950 0.183 0.000 2.046 650 F HA -0.147 4.296 4.527 -0.139 0.000 0.297 650 F C 2.080 178.020 175.800 0.234 0.000 1.123 650 F CA 1.310 59.462 58.000 0.252 0.000 1.199 650 F CB -0.600 38.608 39.000 0.347 0.000 0.972 650 F HN -0.117 nan 8.300 nan 0.000 0.474 651 L N 0.102 121.334 121.223 0.014 0.000 2.079 651 L HA -0.222 4.034 4.340 -0.140 0.000 0.210 651 L C 2.242 179.131 176.870 0.031 0.000 1.081 651 L CA 1.828 56.625 54.840 -0.072 0.000 0.752 651 L CB -0.939 41.188 42.059 0.113 0.000 0.896 651 L HN 0.244 nan 8.230 nan 0.000 0.433 652 D N 0.388 120.820 120.400 0.053 0.000 2.117 652 D HA -0.248 4.308 4.640 -0.140 0.000 0.197 652 D C 2.188 178.522 176.300 0.056 0.000 0.987 652 D CA 1.453 55.480 54.000 0.045 0.000 0.829 652 D CB 0.099 40.913 40.800 0.024 0.000 0.961 652 D HN 0.103 nan 8.370 nan 0.000 0.460 653 K N -1.313 119.122 120.400 0.058 0.000 2.103 653 K HA -0.114 4.122 4.320 -0.140 0.000 0.204 653 K C 2.090 178.709 176.600 0.031 0.000 1.052 653 K CA 0.685 57.002 56.287 0.050 0.000 0.945 653 K CB -0.419 32.130 32.500 0.081 0.000 0.722 653 K HN 0.142 nan 8.250 nan 0.000 0.443 654 F N 1.423 121.267 119.950 -0.176 0.000 2.126 654 F HA -0.179 4.264 4.527 -0.140 0.000 0.299 654 F C 1.972 177.738 175.800 -0.056 0.000 1.096 654 F CA 1.579 59.458 58.000 -0.200 0.000 1.255 654 F CB -0.488 38.238 39.000 -0.456 0.000 0.997 654 F HN 0.114 nan 8.300 nan 0.000 0.479 655 A N 0.458 123.457 122.820 0.298 0.000 1.858 655 A HA -0.207 4.029 4.320 -0.140 0.000 0.216 655 A C 2.376 180.059 177.584 0.164 0.000 1.190 655 A CA 1.813 54.041 52.037 0.318 0.000 0.617 655 A CB -0.869 18.302 19.000 0.285 0.000 0.827 655 A HN 0.472 nan 8.150 nan 0.000 0.443 656 R N -0.275 120.279 120.500 0.089 0.000 2.090 656 R HA -0.087 4.169 4.340 -0.140 0.000 0.228 656 R C 1.840 178.133 176.300 -0.011 0.000 1.110 656 R CA 1.684 57.809 56.100 0.043 0.000 0.973 656 R CB -0.214 30.104 30.300 0.030 0.000 0.869 656 R HN 0.645 nan 8.270 nan 0.000 0.440 657 E N -0.846 119.325 120.200 -0.048 0.000 2.190 657 E HA -0.023 4.243 4.350 -0.140 0.000 0.191 657 E C 1.847 178.361 176.600 -0.143 0.000 0.978 657 E CA 0.452 56.803 56.400 -0.082 0.000 0.839 657 E CB 0.372 30.026 29.700 -0.075 0.000 0.787 657 E HN 0.199 nan 8.360 nan 0.000 0.473 658 R N -0.342 120.013 120.500 -0.242 0.000 2.167 658 R HA 0.258 4.514 4.340 -0.140 0.000 0.195 658 R C 2.157 178.229 176.300 -0.379 0.000 1.027 658 R CA 0.430 56.350 56.100 -0.300 0.000 1.114 658 R CB -0.353 29.642 30.300 -0.509 0.000 1.075 658 R HN 0.147 nan 8.270 nan 0.000 0.538 659 M N 1.141 120.558 119.600 -0.305 0.000 2.200 659 M HA -0.065 4.331 4.480 -0.140 0.000 0.265 659 M C 1.759 177.868 176.300 -0.318 0.000 1.066 659 M CA 1.418 56.501 55.300 -0.363 0.000 1.127 659 M CB -0.160 32.378 32.600 -0.102 0.000 1.379 659 M HN 0.005 nan 8.290 nan 0.000 0.420 660 E N 0.340 120.462 120.200 -0.131 0.000 2.038 660 E HA -0.162 4.104 4.350 -0.140 0.000 0.195 660 E C -0.430 176.118 176.600 -0.087 0.000 1.000 660 E CA 1.478 57.848 56.400 -0.050 0.000 0.803 660 E CB -1.930 27.787 29.700 0.028 0.000 0.750 660 E HN 0.389 nan 8.360 nan 0.000 0.448 661 P HA -0.119 nan 4.420 nan 0.000 0.216 661 P C 1.309 178.518 177.300 -0.152 0.000 1.150 661 P CA 2.062 65.102 63.100 -0.101 0.000 0.837 661 P CB -0.106 31.532 31.700 -0.102 0.000 0.786 662 A N -0.853 121.775 122.820 -0.320 0.000 1.930 662 A HA -0.154 4.082 4.320 -0.140 0.000 0.217 662 A C 2.192 179.614 177.584 -0.270 0.000 1.175 662 A CA 1.319 53.120 52.037 -0.392 0.000 0.627 662 A CB -1.547 16.892 19.000 -0.935 0.000 0.815 662 A HN 0.113 nan 8.150 nan 0.000 0.443 663 I N -0.476 119.942 120.570 -0.252 0.000 2.252 663 I HA -0.223 3.863 4.170 -0.140 0.000 0.245 663 I C 2.240 178.364 176.117 0.012 0.000 1.102 663 I CA 1.859 63.054 61.300 -0.174 0.000 1.385 663 I CB -0.358 37.569 38.000 -0.122 0.000 1.064 663 I HN 0.393 nan 8.210 nan 0.000 0.414 664 D N 0.801 121.256 120.400 0.091 0.000 2.144 664 D HA -0.164 4.392 4.640 -0.140 0.000 0.200 664 D C 2.358 178.720 176.300 0.105 0.000 0.978 664 D CA 1.248 55.378 54.000 0.217 0.000 0.833 664 D CB 0.129 41.043 40.800 0.189 0.000 0.961 664 D HN 0.119 nan 8.370 nan 0.000 0.470 665 R N -0.422 120.087 120.500 0.015 0.000 2.092 665 R HA 0.031 4.288 4.340 -0.140 0.000 0.231 665 R C 2.442 178.752 176.300 0.016 0.000 1.119 665 R CA 1.068 57.165 56.100 -0.005 0.000 0.970 665 R CB -0.369 29.915 30.300 -0.028 0.000 0.864 665 R HN 0.218 nan 8.270 nan 0.000 0.440 666 G N 0.539 109.335 108.800 -0.007 0.000 2.421 666 G HA2 -0.234 3.643 3.960 -0.140 0.000 0.216 666 G HA3 -0.234 3.643 3.960 -0.140 0.000 0.216 666 G C 1.020 176.028 174.900 0.179 0.000 1.171 666 G CA 0.421 45.552 45.100 0.052 0.000 0.775 666 G HN 0.150 nan 8.290 nan 0.000 0.543 667 F N 0.810 120.838 119.950 0.131 0.000 2.407 667 F HA 0.198 4.641 4.527 -0.139 0.000 0.299 667 F C 2.778 178.483 175.800 -0.159 0.000 1.097 667 F CA 0.482 58.500 58.000 0.029 0.000 1.422 667 F CB -0.072 39.037 39.000 0.183 0.000 1.067 667 F HN 0.013 nan 8.300 nan 0.000 0.539 668 R N -0.124 120.330 120.500 -0.077 0.000 2.090 668 R HA -0.127 4.129 4.340 -0.140 0.000 0.228 668 R C 2.183 178.448 176.300 -0.059 0.000 1.110 668 R CA 1.179 57.134 56.100 -0.241 0.000 0.973 668 R CB -0.326 29.839 30.300 -0.225 0.000 0.869 668 R HN 0.313 nan 8.270 nan 0.000 0.440 669 E N 0.896 121.123 120.200 0.045 0.000 2.051 669 E HA -0.237 4.029 4.350 -0.140 0.000 0.192 669 E C 1.988 178.622 176.600 0.056 0.000 0.991 669 E CA 1.121 57.589 56.400 0.113 0.000 0.799 669 E CB 0.011 29.866 29.700 0.258 0.000 0.748 669 E HN 0.208 nan 8.360 nan 0.000 0.449 670 M N 0.409 119.933 119.600 -0.126 0.000 2.108 670 M HA -0.197 4.199 4.480 -0.140 0.000 0.261 670 M C 2.557 178.733 176.300 -0.207 0.000 1.066 670 M CA 1.587 56.533 55.300 -0.590 0.000 1.107 670 M CB -0.289 31.649 32.600 -1.104 0.000 1.356 670 M HN 0.393 nan 8.290 nan 0.000 0.406 671 C N 0.720 119.978 119.300 -0.070 0.000 2.429 671 C HA -0.170 4.206 4.460 -0.140 0.000 0.277 671 C C 2.566 177.566 174.990 0.016 0.000 1.262 671 C CA 1.903 60.927 59.018 0.010 0.000 1.733 671 C CB -0.942 26.817 27.740 0.032 0.000 2.010 671 C HN 0.747 nan 8.230 nan 0.000 0.483 672 E N -0.595 119.619 120.200 0.024 0.000 2.072 672 E HA -0.230 4.036 4.350 -0.140 0.000 0.191 672 E C 2.035 178.695 176.600 0.101 0.000 0.985 672 E CA 1.688 58.117 56.400 0.047 0.000 0.801 672 E CB -0.916 28.812 29.700 0.046 0.000 0.750 672 E HN 0.712 nan 8.360 nan 0.000 0.452 673 Y N 0.245 120.511 120.300 -0.056 0.000 2.128 673 Y HA -0.109 4.357 4.550 -0.140 0.000 0.284 673 Y C 1.896 177.750 175.900 -0.077 0.000 1.154 673 Y CA 1.845 59.917 58.100 -0.047 0.000 1.149 673 Y CB -0.404 38.016 38.460 -0.067 0.000 0.976 673 Y HN 0.198 nan 8.280 nan 0.000 0.505 674 M N 0.759 120.298 119.600 -0.102 0.000 2.561 674 M HA 0.092 4.488 4.480 -0.140 0.000 0.238 674 M C 0.524 176.772 176.300 -0.087 0.000 1.131 674 M CA 0.533 55.716 55.300 -0.195 0.000 1.046 674 M CB -0.957 31.578 32.600 -0.108 0.000 1.532 674 M HN 0.348 nan 8.290 nan 0.000 0.497 675 N N 1.095 119.773 118.700 -0.036 0.000 2.721 675 N HA -0.253 4.404 4.740 -0.140 0.000 0.249 675 N C -0.993 174.516 175.510 -0.001 0.000 1.072 675 N CA 0.637 53.676 53.050 -0.018 0.000 0.710 675 N CB -1.606 36.854 38.487 -0.045 0.000 0.993 675 N HN 0.608 nan 8.380 nan 0.000 0.547 676 N N 0.210 118.918 118.700 0.013 0.000 2.340 676 N HA 0.012 4.668 4.740 -0.140 0.000 0.236 676 N C 1.215 176.722 175.510 -0.004 0.000 1.296 676 N CA 0.090 53.143 53.050 0.006 0.000 0.896 676 N CB 0.417 38.907 38.487 0.005 0.000 1.127 676 N HN 0.280 nan 8.380 nan 0.000 0.442 677 K N 0.397 120.782 120.400 -0.024 0.000 2.217 677 K HA -0.121 4.115 4.320 -0.140 0.000 0.202 677 K C -0.166 176.422 176.600 -0.021 0.000 1.051 677 K CA 1.046 57.323 56.287 -0.017 0.000 0.952 677 K CB 0.181 32.665 32.500 -0.027 0.000 0.736 677 K HN 0.654 nan 8.250 nan 0.000 0.453 678 Q N -0.501 119.276 119.800 -0.039 0.000 2.518 678 Q HA 0.006 4.262 4.340 -0.140 0.000 0.254 678 Q C -1.777 174.204 176.000 -0.032 0.000 0.962 678 Q CA -0.784 55.008 55.803 -0.019 0.000 0.982 678 Q CB 0.511 29.227 28.738 -0.037 0.000 1.516 678 Q HN 0.268 nan 8.270 nan 0.000 0.426 679 H N 5.100 124.123 119.070 -0.079 0.000 3.046 679 H HA 0.165 4.637 4.556 -0.139 0.000 0.303 679 H C -0.453 174.684 175.328 -0.317 0.000 1.002 679 H CA 0.660 56.628 56.048 -0.134 0.000 1.460 679 H CB 0.618 30.373 29.762 -0.010 0.000 1.493 679 H HN 0.704 nan 8.280 nan 0.000 0.559 680 L N 5.652 126.334 121.223 -0.902 0.000 3.520 680 L HA 0.128 4.384 4.340 -0.140 0.000 0.323 680 L C -0.229 175.668 176.870 -1.621 0.000 1.246 680 L CA -0.171 53.827 54.840 -1.403 0.000 1.085 680 L CB 0.569 42.196 42.059 -0.720 0.000 1.477 680 L HN 0.635 nan 8.230 nan 0.000 0.624 681 M N 1.715 120.538 119.600 -1.294 0.000 2.557 681 M HA 0.273 4.670 4.480 -0.140 0.000 0.328 681 M C -1.077 174.718 176.300 -0.843 0.000 1.423 681 M CA 0.358 55.043 55.300 -1.025 0.000 1.418 681 M CB -0.684 31.215 32.600 -1.168 0.000 1.381 681 M HN -0.121 nan 8.290 nan 0.000 0.467 682 F N 3.285 123.037 119.950 -0.331 0.000 2.361 682 F HA 0.519 4.962 4.527 -0.141 0.000 0.364 682 F C 0.261 176.046 175.800 -0.025 0.000 1.117 682 F CA -1.061 56.862 58.000 -0.127 0.000 1.071 682 F CB 0.897 39.836 39.000 -0.101 0.000 1.188 682 F HN 0.437 nan 8.300 nan 0.000 0.464 683 M N 4.619 124.392 119.600 0.289 0.000 2.114 683 M HA 0.419 4.815 4.480 -0.140 0.000 0.332 683 M C -1.488 174.990 176.300 0.298 0.000 1.014 683 M CA -0.213 55.259 55.300 0.287 0.000 0.956 683 M CB 0.660 33.507 32.600 0.412 0.000 1.551 683 M HN 0.439 nan 8.290 nan 0.000 0.427 684 D N 3.869 124.413 120.400 0.240 0.000 2.252 684 D HA 0.296 4.852 4.640 -0.140 0.000 0.245 684 D C -0.685 175.697 176.300 0.138 0.000 1.009 684 D CA -0.470 53.653 54.000 0.205 0.000 0.870 684 D CB 1.876 42.738 40.800 0.104 0.000 1.251 684 D HN 0.600 nan 8.370 nan 0.000 0.460 685 R N 1.834 122.355 120.500 0.035 0.000 2.484 685 R HA -0.033 4.224 4.340 -0.140 0.000 0.293 685 R C 0.462 176.602 176.300 -0.267 0.000 1.023 685 R CA 0.323 56.175 56.100 -0.414 0.000 1.037 685 R CB 0.571 30.643 30.300 -0.379 0.000 0.951 685 R HN 0.460 nan 8.270 nan 0.000 0.418 686 E N 2.704 122.711 120.200 -0.321 0.000 2.068 686 E HA 0.159 4.425 4.350 -0.140 0.000 0.201 686 E C -0.111 176.410 176.600 -0.132 0.000 0.947 686 E CA 0.384 56.686 56.400 -0.162 0.000 0.909 686 E CB -0.267 29.365 29.700 -0.113 0.000 1.015 686 E HN 0.671 nan 8.360 nan 0.000 0.484 687 A N 1.031 123.786 122.820 -0.108 0.000 2.320 687 A HA 0.681 4.917 4.320 -0.140 0.000 0.334 687 A C -0.404 177.190 177.584 0.016 0.000 1.147 687 A CA -0.449 51.585 52.037 -0.005 0.000 0.820 687 A CB 0.687 19.747 19.000 0.100 0.000 1.218 687 A HN 0.235 nan 8.150 nan 0.000 0.482 688 I N 1.249 121.886 120.570 0.112 0.000 2.439 688 I HA 0.545 4.631 4.170 -0.140 0.000 0.285 688 I C 0.214 176.561 176.117 0.384 0.000 1.021 688 I CA -0.175 61.259 61.300 0.223 0.000 1.091 688 I CB 1.731 39.846 38.000 0.193 0.000 1.242 688 I HN 0.744 nan 8.210 nan 0.000 0.439 689 A N 4.583 127.670 122.820 0.446 0.000 2.384 689 A HA 1.037 5.273 4.320 -0.140 0.000 0.312 689 A C -0.272 177.667 177.584 0.592 0.000 1.113 689 A CA -0.523 51.810 52.037 0.494 0.000 0.779 689 A CB 1.954 21.143 19.000 0.316 0.000 1.307 689 A HN 0.873 nan 8.150 nan 0.000 0.436 690 G N 0.174 109.354 108.800 0.633 0.000 2.325 690 G HA2 0.541 4.417 3.960 -0.140 0.000 0.297 690 G HA3 0.541 4.417 3.960 -0.140 0.000 0.297 690 G C -3.555 171.680 174.900 0.558 0.000 1.448 690 G CA -0.431 44.870 45.100 0.335 0.000 0.838 690 G HN 0.631 nan 8.290 nan 0.000 0.579 691 P HA 0.427 nan 4.420 nan 0.000 0.276 691 P C -2.833 174.753 177.300 0.477 0.000 1.261 691 P CA -1.492 61.791 63.100 0.305 0.000 0.800 691 P CB 0.693 32.435 31.700 0.070 0.000 1.066 692 P HA 0.143 nan 4.420 nan 0.000 0.271 692 P C -0.155 177.290 177.300 0.241 0.000 1.216 692 P CA -0.215 63.110 63.100 0.376 0.000 0.771 692 P CB 0.133 32.064 31.700 0.384 0.000 0.864 693 L N 3.687 125.058 121.223 0.247 0.000 2.601 693 L HA 0.203 4.459 4.340 -0.140 0.000 0.277 693 L C 1.422 178.386 176.870 0.156 0.000 1.219 693 L CA 2.082 57.064 54.840 0.236 0.000 0.915 693 L CB -1.151 41.087 42.059 0.298 0.000 1.160 693 L HN 0.798 nan 8.230 nan 0.000 0.494 694 G N 2.103 110.978 108.800 0.125 0.000 2.234 694 G HA2 -0.284 3.592 3.960 -0.140 0.000 0.235 694 G HA3 -0.284 3.592 3.960 -0.140 0.000 0.235 694 G C 0.372 175.326 174.900 0.089 0.000 0.997 694 G CA 0.399 45.559 45.100 0.100 0.000 0.623 694 G HN 1.109 nan 8.290 nan 0.000 0.514 695 S N -0.431 115.330 115.700 0.102 0.000 2.661 695 S HA 0.652 5.038 4.470 -0.140 0.000 0.265 695 S C 0.793 175.436 174.600 0.071 0.000 1.225 695 S CA 0.327 58.583 58.200 0.093 0.000 0.986 695 S CB 1.440 64.712 63.200 0.120 0.000 1.008 695 S HN 0.288 nan 8.310 nan 0.000 0.565 696 K N 0.076 120.514 120.400 0.064 0.000 2.397 696 K HA 0.233 4.469 4.320 -0.140 0.000 0.202 696 K C 0.904 177.531 176.600 0.044 0.000 1.022 696 K CA -0.036 56.279 56.287 0.047 0.000 1.141 696 K CB -0.011 32.515 32.500 0.043 0.000 0.857 696 K HN 0.726 nan 8.250 nan 0.000 0.514 697 G N 1.358 110.194 108.800 0.060 0.000 2.491 697 G HA2 0.087 3.963 3.960 -0.140 0.000 0.242 697 G HA3 0.087 3.963 3.960 -0.140 0.000 0.242 697 G C 0.834 175.756 174.900 0.037 0.000 1.266 697 G CA -0.465 44.673 45.100 0.062 0.000 0.844 697 G HN 0.349 nan 8.290 nan 0.000 0.571 698 I N -0.135 120.461 120.570 0.044 0.000 3.684 698 I HA 0.305 4.391 4.170 -0.140 0.000 0.304 698 I C 1.701 177.844 176.117 0.043 0.000 1.278 698 I CA 0.465 61.784 61.300 0.032 0.000 1.272 698 I CB -0.018 38.011 38.000 0.049 0.000 1.029 698 I HN 0.781 nan 8.210 nan 0.000 0.458 699 G N 1.385 110.224 108.800 0.065 0.000 2.779 699 G HA2 -0.212 3.664 3.960 -0.140 0.000 0.230 699 G HA3 -0.212 3.664 3.960 -0.140 0.000 0.230 699 G C 0.528 175.508 174.900 0.134 0.000 1.243 699 G CA 0.057 45.206 45.100 0.082 0.000 0.769 699 G HN 1.247 nan 8.290 nan 0.000 0.516 700 G N -1.390 107.526 108.800 0.193 0.000 2.349 700 G HA2 0.809 4.685 3.960 -0.140 0.000 0.294 700 G HA3 0.809 4.685 3.960 -0.140 0.000 0.294 700 G C -1.007 174.126 174.900 0.388 0.000 1.380 700 G CA 0.043 45.263 45.100 0.201 0.000 0.811 700 G HN 1.850 nan 8.290 nan 0.000 0.519 701 F N -2.787 117.256 119.950 0.155 0.000 2.744 701 F HA 0.803 5.247 4.527 -0.139 0.000 0.311 701 F C -2.035 173.883 175.800 0.197 0.000 1.144 701 F CA -2.014 56.145 58.000 0.266 0.000 0.938 701 F CB 1.259 40.317 39.000 0.096 0.000 1.292 701 F HN 0.607 nan 8.300 nan 0.000 0.444 702 W N 1.942 123.412 121.300 0.282 0.000 2.702 702 W HA 0.399 4.976 4.660 -0.139 0.000 0.331 702 W C 0.164 176.805 176.519 0.202 0.000 1.049 702 W CA -0.188 57.200 57.345 0.071 0.000 1.230 702 W CB 2.799 32.214 29.460 -0.075 0.000 1.408 702 W HN 0.893 nan 8.180 nan 0.000 0.492 703 T N -0.450 114.280 114.554 0.292 0.000 2.971 703 T HA 0.459 4.726 4.350 -0.140 0.000 0.252 703 T C 0.505 175.325 174.700 0.199 0.000 1.022 703 T CA 0.631 62.890 62.100 0.264 0.000 0.980 703 T CB 1.117 70.138 68.868 0.255 0.000 1.044 703 T HN 0.592 nan 8.240 nan 0.000 0.501 704 G N 0.581 109.495 108.800 0.189 0.000 2.317 704 G HA2 0.344 4.220 3.960 -0.140 0.000 0.293 704 G HA3 0.344 4.220 3.960 -0.140 0.000 0.293 704 G C -1.853 173.138 174.900 0.151 0.000 1.287 704 G CA -1.219 43.975 45.100 0.157 0.000 0.850 704 G HN 0.280 nan 8.290 nan 0.000 0.515 705 K N 0.761 121.260 120.400 0.166 0.000 2.527 705 K HA 0.184 4.420 4.320 -0.140 0.000 0.278 705 K C 0.379 177.098 176.600 0.198 0.000 0.981 705 K CA 0.819 57.250 56.287 0.241 0.000 1.009 705 K CB 0.248 32.867 32.500 0.198 0.000 0.895 705 K HN 0.623 nan 8.250 nan 0.000 0.493 706 K N 1.165 121.752 120.400 0.311 0.000 3.020 706 K HA -0.272 3.964 4.320 -0.140 0.000 0.266 706 K C -0.619 176.001 176.600 0.033 0.000 1.067 706 K CA 1.056 57.481 56.287 0.230 0.000 0.780 706 K CB -0.877 31.719 32.500 0.160 0.000 1.220 706 K HN 0.540 nan 8.250 nan 0.000 0.483 707 R N 0.402 120.886 120.500 -0.026 0.000 2.625 707 R HA 0.284 4.541 4.340 -0.140 0.000 0.286 707 R C -1.135 174.918 176.300 -0.412 0.000 1.406 707 R CA -0.752 55.224 56.100 -0.206 0.000 1.052 707 R CB 0.831 31.092 30.300 -0.064 0.000 1.203 707 R HN 0.233 nan 8.270 nan 0.000 0.502 708 Y N -0.861 118.926 120.300 -0.856 0.000 2.689 708 Y HA 0.856 5.323 4.550 -0.138 0.000 0.333 708 Y C -1.708 173.485 175.900 -1.177 0.000 1.208 708 Y CA -1.495 55.798 58.100 -1.345 0.000 1.055 708 Y CB 1.352 38.296 38.460 -2.527 0.000 1.304 708 Y HN 0.373 nan 8.280 nan 0.000 0.455 709 A N 1.937 124.032 122.820 -1.208 0.000 2.455 709 A HA 0.841 5.077 4.320 -0.140 0.000 0.300 709 A C -2.033 175.219 177.584 -0.553 0.000 1.040 709 A CA -0.779 50.716 52.037 -0.903 0.000 0.697 709 A CB 1.237 19.614 19.000 -1.038 0.000 1.265 709 A HN 0.780 nan 8.150 nan 0.000 0.407 710 L N 1.365 122.415 121.223 -0.288 0.000 2.422 710 L HA 0.476 4.732 4.340 -0.140 0.000 0.264 710 L C -0.495 176.333 176.870 -0.070 0.000 0.984 710 L CA -0.973 53.814 54.840 -0.087 0.000 0.819 710 L CB 2.459 44.547 42.059 0.048 0.000 1.330 710 L HN 0.762 nan 8.230 nan 0.000 0.410 711 N N 1.606 120.292 118.700 -0.023 0.000 2.558 711 N HA 0.326 4.982 4.740 -0.140 0.000 0.233 711 N C -1.101 174.313 175.510 -0.159 0.000 1.038 711 N CA -0.279 52.695 53.050 -0.127 0.000 0.934 711 N CB 0.934 39.373 38.487 -0.081 0.000 1.175 711 N HN 0.285 nan 8.380 nan 0.000 0.512 712 V N 4.129 123.947 119.914 -0.160 0.000 2.432 712 V HA 0.167 4.203 4.120 -0.140 0.000 0.271 712 V C 0.458 176.514 176.094 -0.064 0.000 1.046 712 V CA -0.344 61.951 62.300 -0.009 0.000 0.945 712 V CB 0.749 32.660 31.823 0.145 0.000 0.992 712 V HN 0.746 nan 8.190 nan 0.000 0.471 713 W N 0.944 122.361 121.300 0.195 0.000 2.762 713 W HA 0.270 4.847 4.660 -0.137 0.000 0.265 713 W C 0.790 177.284 176.519 -0.042 0.000 1.263 713 W CA -0.008 57.410 57.345 0.122 0.000 1.411 713 W CB 0.612 30.046 29.460 -0.044 0.000 1.065 713 W HN 0.485 nan 8.180 nan 0.000 0.609 714 D N 0.160 120.602 120.400 0.070 0.000 2.964 714 D HA 0.228 4.784 4.640 -0.140 0.000 0.234 714 D C -1.489 174.690 176.300 -0.203 0.000 1.223 714 D CA -0.476 53.395 54.000 -0.216 0.000 0.889 714 D CB 1.744 42.485 40.800 -0.099 0.000 1.609 714 D HN -0.228 nan 8.370 nan 0.000 0.523 715 M N 3.397 122.778 119.600 -0.365 0.000 2.046 715 M HA 0.254 4.650 4.480 -0.140 0.000 0.309 715 M C -0.307 175.913 176.300 -0.134 0.000 0.935 715 M CA 0.100 55.306 55.300 -0.158 0.000 0.915 715 M CB 0.486 33.067 32.600 -0.031 0.000 1.474 715 M HN 0.482 nan 8.290 nan 0.000 0.415 716 E N 3.317 123.459 120.200 -0.098 0.000 2.476 716 E HA -0.250 4.016 4.350 -0.140 0.000 0.251 716 E C 0.798 177.351 176.600 -0.078 0.000 1.130 716 E CA 0.929 57.283 56.400 -0.077 0.000 0.736 716 E CB -1.577 28.093 29.700 -0.049 0.000 1.298 716 E HN 1.298 nan 8.360 nan 0.000 0.400 717 G N -1.191 107.552 108.800 -0.097 0.000 2.254 717 G HA2 -0.289 3.587 3.960 -0.140 0.000 0.225 717 G HA3 -0.289 3.587 3.960 -0.140 0.000 0.225 717 G C 0.387 175.220 174.900 -0.111 0.000 1.003 717 G CA 0.116 45.167 45.100 -0.083 0.000 0.622 717 G HN 0.266 nan 8.290 nan 0.000 0.507 718 T N 2.124 116.581 114.554 -0.161 0.000 2.738 718 T HA 0.518 4.784 4.350 -0.140 0.000 0.293 718 T C 0.380 174.869 174.700 -0.352 0.000 0.913 718 T CA 0.018 61.996 62.100 -0.203 0.000 1.103 718 T CB 1.255 70.009 68.868 -0.189 0.000 0.880 718 T HN 0.447 nan 8.240 nan 0.000 0.526 719 R N 3.053 123.429 120.500 -0.207 0.000 2.265 719 R HA 0.286 4.542 4.340 -0.140 0.000 0.314 719 R C -1.154 175.093 176.300 -0.089 0.000 1.053 719 R CA -0.522 55.479 56.100 -0.166 0.000 0.931 719 R CB -0.072 30.194 30.300 -0.057 0.000 1.024 719 R HN 0.456 nan 8.270 nan 0.000 0.457 720 Y N 2.589 122.929 120.300 0.066 0.000 2.319 720 Y HA 0.233 4.699 4.550 -0.140 0.000 0.328 720 Y C 1.427 177.371 175.900 0.073 0.000 1.133 720 Y CA -0.241 57.887 58.100 0.046 0.000 1.265 720 Y CB 1.138 39.602 38.460 0.006 0.000 1.218 720 Y HN 0.801 nan 8.280 nan 0.000 0.508 721 A N 2.112 125.067 122.820 0.226 0.000 1.933 721 A HA -0.070 4.166 4.320 -0.140 0.000 0.218 721 A C 0.498 178.175 177.584 0.154 0.000 1.175 721 A CA 1.345 53.470 52.037 0.147 0.000 0.628 721 A CB -0.166 18.891 19.000 0.095 0.000 0.814 721 A HN 0.655 nan 8.150 nan 0.000 0.444 722 E N -0.654 119.614 120.200 0.114 0.000 2.293 722 E HA 0.391 4.657 4.350 -0.140 0.000 0.270 722 E C -2.978 173.570 176.600 -0.086 0.000 0.879 722 E CA -2.642 53.782 56.400 0.040 0.000 0.756 722 E CB 1.295 30.982 29.700 -0.022 0.000 1.208 722 E HN 0.117 nan 8.360 nan 0.000 0.428 723 P HA 0.046 nan 4.420 nan 0.000 0.268 723 P C -0.549 176.479 177.300 -0.453 0.000 1.205 723 P CA -0.071 62.624 63.100 -0.676 0.000 0.771 723 P CB 0.824 31.657 31.700 -1.444 0.000 0.858 724 K N 3.012 123.151 120.400 -0.435 0.000 2.221 724 K HA 0.449 4.686 4.320 -0.140 0.000 0.258 724 K C -0.004 176.430 176.600 -0.278 0.000 0.944 724 K CA -0.988 55.056 56.287 -0.404 0.000 0.823 724 K CB 1.694 33.813 32.500 -0.635 0.000 1.113 724 K HN 0.486 nan 8.250 nan 0.000 0.431 725 L N 2.680 123.766 121.223 -0.228 0.000 2.313 725 L HA 0.204 4.461 4.340 -0.140 0.000 0.282 725 L C 0.708 177.479 176.870 -0.166 0.000 1.092 725 L CA -0.372 54.358 54.840 -0.184 0.000 0.831 725 L CB 0.384 42.344 42.059 -0.166 0.000 1.159 725 L HN 0.215 nan 8.230 nan 0.000 0.442 726 K N 6.111 126.420 120.400 -0.150 0.000 2.300 726 K HA 0.465 4.701 4.320 -0.140 0.000 0.264 726 K C -0.900 175.538 176.600 -0.271 0.000 1.083 726 K CA -0.306 55.898 56.287 -0.138 0.000 0.958 726 K CB 0.414 32.898 32.500 -0.027 0.000 1.318 726 K HN 0.509 nan 8.250 nan 0.000 0.448 727 I N 5.158 125.544 120.570 -0.306 0.000 2.362 727 I HA 0.323 4.409 4.170 -0.140 0.000 0.289 727 I C -0.201 175.624 176.117 -0.487 0.000 0.994 727 I CA -0.650 60.385 61.300 -0.442 0.000 1.158 727 I CB 1.457 39.257 38.000 -0.334 0.000 1.315 727 I HN 0.199 nan 8.210 nan 0.000 0.451 728 M N 4.066 123.200 119.600 -0.776 0.000 2.393 728 M HA 0.414 4.810 4.480 -0.140 0.000 0.316 728 M C 0.965 176.939 176.300 -0.544 0.000 1.087 728 M CA -0.457 54.435 55.300 -0.681 0.000 0.937 728 M CB 1.148 33.165 32.600 -0.971 0.000 1.668 728 M HN 0.888 nan 8.290 nan 0.000 0.438 729 G N 2.356 110.981 108.800 -0.292 0.000 2.435 729 G HA2 -0.249 3.628 3.960 -0.140 0.000 0.245 729 G HA3 -0.249 3.628 3.960 -0.140 0.000 0.245 729 G C 0.259 175.082 174.900 -0.128 0.000 1.073 729 G CA 0.198 45.192 45.100 -0.176 0.000 0.638 729 G HN 0.593 nan 8.290 nan 0.000 0.521 730 L N 0.449 121.554 121.223 -0.197 0.000 2.482 730 L HA 0.257 4.513 4.340 -0.140 0.000 0.273 730 L C 1.890 178.780 176.870 0.032 0.000 1.228 730 L CA -0.031 54.758 54.840 -0.086 0.000 0.827 730 L CB 0.204 42.072 42.059 -0.319 0.000 1.099 730 L HN 0.081 nan 8.230 nan 0.000 0.494 731 E N 0.139 120.450 120.200 0.184 0.000 2.333 731 E HA -0.185 4.081 4.350 -0.140 0.000 0.200 731 E C 1.901 178.564 176.600 0.105 0.000 1.010 731 E CA 1.561 58.043 56.400 0.137 0.000 0.841 731 E CB -0.327 29.461 29.700 0.147 0.000 0.757 731 E HN 0.858 nan 8.360 nan 0.000 0.508 732 T N -1.665 112.950 114.554 0.101 0.000 2.962 732 T HA -0.114 4.152 4.350 -0.140 0.000 0.270 732 T C 1.355 176.068 174.700 0.022 0.000 1.088 732 T CA 0.671 62.808 62.100 0.062 0.000 1.127 732 T CB 0.020 68.905 68.868 0.028 0.000 0.883 732 T HN 0.001 nan 8.240 nan 0.000 0.493 733 Q N 0.809 120.604 119.800 -0.008 0.000 2.319 733 Q HA 0.286 4.542 4.340 -0.140 0.000 0.202 733 Q C 0.050 176.050 176.000 -0.000 0.000 0.896 733 Q CA 0.296 56.088 55.803 -0.018 0.000 0.942 733 Q CB 0.346 29.045 28.738 -0.065 0.000 1.083 733 Q HN 0.617 nan 8.270 nan 0.000 0.510 734 K N 0.793 121.201 120.400 0.012 0.000 2.206 734 K HA 0.258 4.494 4.320 -0.140 0.000 0.264 734 K C 0.874 177.480 176.600 0.010 0.000 0.967 734 K CA -0.117 56.175 56.287 0.009 0.000 0.844 734 K CB 1.643 34.148 32.500 0.009 0.000 1.099 734 K HN -0.052 nan 8.250 nan 0.000 0.441 735 S N 0.287 115.983 115.700 -0.007 0.000 2.469 735 S HA -0.159 4.227 4.470 -0.140 0.000 0.238 735 S C 1.648 176.230 174.600 -0.031 0.000 0.998 735 S CA 1.366 59.551 58.200 -0.025 0.000 0.957 735 S CB -0.304 62.861 63.200 -0.059 0.000 0.764 735 S HN 0.632 nan 8.310 nan 0.000 0.514 736 S N 0.572 116.256 115.700 -0.027 0.000 2.489 736 S HA 0.056 4.443 4.470 -0.140 0.000 0.228 736 S C 0.719 175.323 174.600 0.006 0.000 0.995 736 S CA 0.092 58.273 58.200 -0.031 0.000 0.934 736 S CB -0.774 62.399 63.200 -0.044 0.000 0.771 736 S HN 0.442 nan 8.310 nan 0.000 0.522 737 T N 5.538 120.109 114.554 0.028 0.000 2.832 737 T HA 0.339 4.605 4.350 -0.140 0.000 0.296 737 T C -2.602 172.144 174.700 0.077 0.000 0.968 737 T CA -1.283 60.852 62.100 0.059 0.000 1.107 737 T CB 0.957 69.868 68.868 0.072 0.000 0.916 737 T HN 0.206 nan 8.240 nan 0.000 0.517 738 P HA 0.056 nan 4.420 nan 0.000 0.266 738 P C 0.805 178.166 177.300 0.103 0.000 1.193 738 P CA -0.366 62.790 63.100 0.093 0.000 0.770 738 P CB 0.797 32.561 31.700 0.107 0.000 0.836 739 K N 2.923 123.375 120.400 0.087 0.000 2.034 739 K HA -0.195 4.041 4.320 -0.140 0.000 0.214 739 K C 2.004 178.665 176.600 0.101 0.000 1.051 739 K CA 2.261 58.603 56.287 0.092 0.000 0.931 739 K CB -1.588 30.960 32.500 0.079 0.000 0.715 739 K HN 0.557 nan 8.250 nan 0.000 0.446 740 A N 0.978 123.861 122.820 0.105 0.000 2.019 740 A HA -0.081 4.155 4.320 -0.140 0.000 0.219 740 A C 2.514 180.222 177.584 0.207 0.000 1.164 740 A CA 1.434 53.562 52.037 0.153 0.000 0.644 740 A CB -0.446 18.636 19.000 0.137 0.000 0.805 740 A HN 0.092 nan 8.150 nan 0.000 0.449 741 V N -0.287 119.756 119.914 0.214 0.000 2.488 741 V HA -0.251 3.786 4.120 -0.140 0.000 0.246 741 V C 2.526 178.722 176.094 0.169 0.000 1.046 741 V CA 1.907 64.343 62.300 0.226 0.000 1.053 741 V CB -0.870 31.127 31.823 0.291 0.000 0.679 741 V HN 0.626 nan 8.190 nan 0.000 0.458 742 Q N 0.230 120.114 119.800 0.140 0.000 2.096 742 Q HA -0.281 3.976 4.340 -0.140 0.000 0.204 742 Q C 2.323 178.381 176.000 0.098 0.000 0.982 742 Q CA 1.974 57.845 55.803 0.115 0.000 0.850 742 Q CB -0.267 28.527 28.738 0.094 0.000 0.901 742 Q HN 0.582 nan 8.270 nan 0.000 0.422 743 K N 0.550 121.005 120.400 0.092 0.000 2.002 743 K HA -0.155 4.082 4.320 -0.140 0.000 0.209 743 K C 2.107 178.748 176.600 0.069 0.000 1.048 743 K CA 1.231 57.564 56.287 0.077 0.000 0.930 743 K CB -0.172 32.384 32.500 0.093 0.000 0.714 743 K HN 0.173 nan 8.250 nan 0.000 0.438 744 A N 1.273 124.114 122.820 0.036 0.000 1.877 744 A HA -0.111 4.125 4.320 -0.140 0.000 0.216 744 A C 2.147 179.800 177.584 0.115 0.000 1.186 744 A CA 1.289 53.296 52.037 -0.050 0.000 0.620 744 A CB -0.676 17.763 19.000 -0.935 0.000 0.822 744 A HN 0.336 nan 8.150 nan 0.000 0.443 745 L N -0.660 120.677 121.223 0.190 0.000 2.079 745 L HA -0.216 4.040 4.340 -0.140 0.000 0.210 745 L C 2.645 179.617 176.870 0.170 0.000 1.081 745 L CA 1.959 56.939 54.840 0.233 0.000 0.752 745 L CB -0.383 41.826 42.059 0.250 0.000 0.896 745 L HN 0.486 nan 8.230 nan 0.000 0.433 746 K N 0.200 120.656 120.400 0.094 0.000 2.097 746 K HA -0.242 3.994 4.320 -0.140 0.000 0.205 746 K C 2.065 178.651 176.600 -0.024 0.000 1.050 746 K CA 1.444 57.747 56.287 0.027 0.000 0.938 746 K CB 0.123 32.624 32.500 0.002 0.000 0.718 746 K HN 0.071 nan 8.250 nan 0.000 0.442 747 E N 0.507 120.667 120.200 -0.066 0.000 2.106 747 E HA -0.139 4.127 4.350 -0.140 0.000 0.192 747 E C 1.728 178.201 176.600 -0.212 0.000 0.984 747 E CA 1.429 57.693 56.400 -0.228 0.000 0.806 747 E CB -0.473 28.940 29.700 -0.479 0.000 0.750 747 E HN 0.353 nan 8.360 nan 0.000 0.458 748 C N 0.069 119.335 119.300 -0.058 0.000 2.429 748 C HA -0.049 4.328 4.460 -0.140 0.000 0.277 748 C C 2.600 177.626 174.990 0.060 0.000 1.262 748 C CA 0.720 59.775 59.018 0.062 0.000 1.733 748 C CB -0.971 26.874 27.740 0.175 0.000 2.010 748 C HN 0.486 nan 8.230 nan 0.000 0.483 749 I N 0.104 120.721 120.570 0.079 0.000 2.202 749 I HA -0.180 3.906 4.170 -0.140 0.000 0.242 749 I C 2.852 178.996 176.117 0.045 0.000 1.091 749 I CA 1.324 62.682 61.300 0.097 0.000 1.368 749 I CB -0.648 37.393 38.000 0.069 0.000 1.058 749 I HN 0.324 nan 8.210 nan 0.000 0.410 750 R N 1.342 121.831 120.500 -0.018 0.000 2.096 750 R HA -0.199 4.057 4.340 -0.140 0.000 0.240 750 R C 2.490 178.777 176.300 -0.021 0.000 1.139 750 R CA 1.711 57.784 56.100 -0.044 0.000 0.952 750 R CB -0.155 30.095 30.300 -0.084 0.000 0.854 750 R HN 0.287 nan 8.270 nan 0.000 0.436 751 R N -0.188 120.292 120.500 -0.033 0.000 2.081 751 R HA -0.123 4.134 4.340 -0.140 0.000 0.235 751 R C 2.456 178.775 176.300 0.032 0.000 1.131 751 R CA 1.968 58.065 56.100 -0.005 0.000 0.960 751 R CB -0.304 29.987 30.300 -0.014 0.000 0.856 751 R HN 0.334 nan 8.270 nan 0.000 0.436 752 M N 0.496 120.120 119.600 0.040 0.000 2.067 752 M HA -0.186 4.210 4.480 -0.140 0.000 0.260 752 M C 2.270 178.609 176.300 0.066 0.000 1.069 752 M CA 1.799 57.125 55.300 0.044 0.000 1.117 752 M CB -0.314 32.301 32.600 0.024 0.000 1.334 752 M HN 0.135 nan 8.290 nan 0.000 0.407 753 L N -0.813 120.463 121.223 0.087 0.000 2.109 753 L HA -0.187 4.070 4.340 -0.140 0.000 0.207 753 L C 2.192 179.114 176.870 0.086 0.000 1.086 753 L CA 1.243 56.140 54.840 0.095 0.000 0.760 753 L CB -0.680 41.426 42.059 0.079 0.000 0.910 753 L HN 0.430 nan 8.230 nan 0.000 0.437 754 Q N -0.821 119.021 119.800 0.069 0.000 2.396 754 Q HA 0.004 4.260 4.340 -0.140 0.000 0.220 754 Q C 1.425 177.483 176.000 0.098 0.000 0.900 754 Q CA 0.458 56.320 55.803 0.098 0.000 0.925 754 Q CB 0.576 29.352 28.738 0.063 0.000 1.065 754 Q HN 0.488 nan 8.270 nan 0.000 0.535 755 E N -0.337 119.905 120.200 0.071 0.000 2.357 755 E HA 0.278 4.545 4.350 -0.140 0.000 0.202 755 E C 0.320 176.957 176.600 0.061 0.000 0.855 755 E CA 0.386 56.828 56.400 0.068 0.000 1.048 755 E CB 1.361 31.097 29.700 0.059 0.000 1.037 755 E HN 0.231 nan 8.360 nan 0.000 0.499 756 G N 0.697 109.529 108.800 0.053 0.000 2.347 756 G HA2 -0.171 3.705 3.960 -0.140 0.000 0.477 756 G HA3 -0.171 3.705 3.960 -0.140 0.000 0.477 756 G C -0.064 174.861 174.900 0.043 0.000 1.349 756 G CA -0.159 44.968 45.100 0.044 0.000 1.000 756 G HN 0.080 nan 8.290 nan 0.000 0.605 757 E N -0.256 119.962 120.200 0.030 0.000 2.070 757 E HA -0.183 4.083 4.350 -0.140 0.000 0.197 757 E C 2.051 178.681 176.600 0.049 0.000 1.004 757 E CA 2.054 58.471 56.400 0.028 0.000 0.805 757 E CB -0.075 29.630 29.700 0.008 0.000 0.744 757 E HN 0.640 nan 8.360 nan 0.000 0.451 758 E N -0.045 120.185 120.200 0.051 0.000 2.085 758 E HA -0.198 4.068 4.350 -0.140 0.000 0.194 758 E C 2.172 178.827 176.600 0.092 0.000 0.994 758 E CA 1.218 57.657 56.400 0.064 0.000 0.801 758 E CB -0.184 29.549 29.700 0.056 0.000 0.743 758 E HN 0.112 nan 8.360 nan 0.000 0.453 759 S N 0.524 116.278 115.700 0.090 0.000 2.382 759 S HA -0.140 4.246 4.470 -0.140 0.000 0.228 759 S C 1.946 176.639 174.600 0.154 0.000 1.027 759 S CA 0.798 59.064 58.200 0.111 0.000 0.991 759 S CB -0.113 63.137 63.200 0.083 0.000 0.823 759 S HN 0.206 nan 8.310 nan 0.000 0.469 760 L N 1.744 123.050 121.223 0.139 0.000 2.027 760 L HA -0.030 4.226 4.340 -0.140 0.000 0.206 760 L C 2.343 179.374 176.870 0.269 0.000 1.074 760 L CA 1.949 56.901 54.840 0.186 0.000 0.745 760 L CB -1.038 41.094 42.059 0.121 0.000 0.898 760 L HN 0.340 nan 8.230 nan 0.000 0.433 761 Q N -0.535 119.386 119.800 0.201 0.000 2.096 761 Q HA -0.269 3.988 4.340 -0.140 0.000 0.204 761 Q C 2.191 178.357 176.000 0.276 0.000 0.982 761 Q CA 1.968 57.905 55.803 0.224 0.000 0.850 761 Q CB -0.279 28.532 28.738 0.122 0.000 0.901 761 Q HN 0.695 nan 8.270 nan 0.000 0.422 762 E N 0.042 120.378 120.200 0.227 0.000 2.031 762 E HA -0.229 4.037 4.350 -0.140 0.000 0.193 762 E C 1.792 178.543 176.600 0.251 0.000 0.994 762 E CA 0.975 57.499 56.400 0.206 0.000 0.800 762 E CB -0.149 29.655 29.700 0.173 0.000 0.752 762 E HN 0.394 nan 8.360 nan 0.000 0.447 763 Y N -0.078 120.332 120.300 0.183 0.000 2.181 763 Y HA -0.251 4.215 4.550 -0.140 0.000 0.288 763 Y C 2.068 178.124 175.900 0.260 0.000 1.146 763 Y CA 1.954 60.169 58.100 0.191 0.000 1.164 763 Y CB -0.332 38.230 38.460 0.170 0.000 0.982 763 Y HN 0.182 nan 8.280 nan 0.000 0.515 764 F N 1.088 121.219 119.950 0.301 0.000 2.126 764 F HA -0.225 4.218 4.527 -0.141 0.000 0.299 764 F C 2.426 178.360 175.800 0.223 0.000 1.096 764 F CA 2.227 60.413 58.000 0.311 0.000 1.255 764 F CB -0.477 38.713 39.000 0.316 0.000 0.997 764 F HN -0.073 nan 8.300 nan 0.000 0.479 765 K N 0.055 120.602 120.400 0.244 0.000 2.032 765 K HA -0.274 3.962 4.320 -0.140 0.000 0.209 765 K C 2.160 178.720 176.600 -0.067 0.000 1.048 765 K CA 1.879 58.221 56.287 0.092 0.000 0.927 765 K CB -0.306 32.288 32.500 0.157 0.000 0.712 765 K HN 0.240 nan 8.250 nan 0.000 0.441 766 E N 0.138 120.294 120.200 -0.073 0.000 2.077 766 E HA -0.182 4.084 4.350 -0.140 0.000 0.193 766 E C 1.680 178.150 176.600 -0.216 0.000 0.989 766 E CA 1.329 57.642 56.400 -0.146 0.000 0.800 766 E CB -0.344 29.253 29.700 -0.172 0.000 0.746 766 E HN 0.376 nan 8.360 nan 0.000 0.452 767 F N 1.024 120.702 119.950 -0.453 0.000 2.186 767 F HA -0.064 4.379 4.527 -0.140 0.000 0.299 767 F C 2.186 177.765 175.800 -0.368 0.000 1.090 767 F CA 1.703 59.431 58.000 -0.453 0.000 1.307 767 F CB -0.001 38.663 39.000 -0.560 0.000 1.019 767 F HN 0.087 nan 8.300 nan 0.000 0.489 768 E N 0.143 120.143 120.200 -0.332 0.000 2.150 768 E HA -0.210 4.056 4.350 -0.140 0.000 0.193 768 E C 2.028 178.476 176.600 -0.254 0.000 0.985 768 E CA 1.105 57.287 56.400 -0.363 0.000 0.814 768 E CB 0.010 29.452 29.700 -0.430 0.000 0.752 768 E HN 0.418 nan 8.360 nan 0.000 0.466 769 K N -0.099 120.172 120.400 -0.216 0.000 2.167 769 K HA -0.050 4.186 4.320 -0.140 0.000 0.203 769 K C 1.631 178.117 176.600 -0.189 0.000 1.052 769 K CA 0.775 56.965 56.287 -0.163 0.000 0.956 769 K CB 0.263 32.691 32.500 -0.121 0.000 0.735 769 K HN 0.050 nan 8.250 nan 0.000 0.451 770 E N -0.001 120.047 120.200 -0.253 0.000 2.447 770 E HA -0.053 4.213 4.350 -0.140 0.000 0.195 770 E C 1.451 177.844 176.600 -0.345 0.000 1.028 770 E CA 0.074 56.312 56.400 -0.271 0.000 0.876 770 E CB -0.096 29.449 29.700 -0.259 0.000 0.885 770 E HN 0.165 nan 8.360 nan 0.000 0.500 771 F N 2.893 122.475 119.950 -0.614 0.000 2.045 771 F HA -0.296 4.147 4.527 -0.141 0.000 0.297 771 F C 2.125 177.711 175.800 -0.356 0.000 1.114 771 F CA 1.959 59.573 58.000 -0.643 0.000 1.207 771 F CB -0.066 38.582 39.000 -0.587 0.000 0.964 771 F HN -0.103 nan 8.300 nan 0.000 0.486 772 R N -0.538 119.783 120.500 -0.299 0.000 2.371 772 R HA -0.190 4.066 4.340 -0.140 0.000 0.226 772 R C 1.649 177.650 176.300 -0.499 0.000 1.132 772 R CA 1.058 56.790 56.100 -0.614 0.000 1.027 772 R CB -0.289 29.620 30.300 -0.652 0.000 0.848 772 R HN 0.348 nan 8.270 nan 0.000 0.479 773 Q N -0.236 119.355 119.800 -0.349 0.000 2.384 773 Q HA 0.173 4.429 4.340 -0.140 0.000 0.207 773 Q C -0.065 175.819 176.000 -0.193 0.000 0.904 773 Q CA 0.284 55.944 55.803 -0.238 0.000 0.933 773 Q CB 0.428 29.048 28.738 -0.197 0.000 1.077 773 Q HN 0.243 nan 8.270 nan 0.000 0.522 774 L N 1.589 122.651 121.223 -0.269 0.000 2.483 774 L HA 0.030 4.286 4.340 -0.140 0.000 0.276 774 L C 0.921 177.728 176.870 -0.105 0.000 1.213 774 L CA -0.209 54.500 54.840 -0.218 0.000 0.843 774 L CB 0.135 41.980 42.059 -0.357 0.000 1.107 774 L HN 0.222 nan 8.230 nan 0.000 0.487 775 N N 1.873 120.536 118.700 -0.061 0.000 2.412 775 N HA -0.149 4.507 4.740 -0.140 0.000 0.254 775 N C 0.967 176.483 175.510 0.010 0.000 1.232 775 N CA 0.116 53.172 53.050 0.011 0.000 0.880 775 N CB 0.634 39.108 38.487 -0.021 0.000 1.076 775 N HN 0.635 nan 8.380 nan 0.000 0.458 776 Y N 3.569 123.832 120.300 -0.061 0.000 2.256 776 Y HA -0.118 4.350 4.550 -0.137 0.000 0.288 776 Y C 1.788 177.649 175.900 -0.064 0.000 1.155 776 Y CA 0.945 59.007 58.100 -0.064 0.000 1.203 776 Y CB -0.167 38.262 38.460 -0.051 0.000 0.980 776 Y HN 0.504 nan 8.280 nan 0.000 0.530 777 I N 1.064 121.173 120.570 -0.768 0.000 2.617 777 I HA -0.201 3.885 4.170 -0.140 0.000 0.256 777 I C 2.468 178.300 176.117 -0.475 0.000 1.167 777 I CA 1.261 62.080 61.300 -0.801 0.000 1.469 777 I CB -0.389 37.147 38.000 -0.773 0.000 1.098 777 I HN 0.460 nan 8.210 nan 0.000 0.436 778 S N 1.337 116.880 115.700 -0.261 0.000 2.489 778 S HA -0.018 4.368 4.470 -0.140 0.000 0.228 778 S C 1.614 176.168 174.600 -0.076 0.000 0.995 778 S CA 0.360 58.482 58.200 -0.130 0.000 0.934 778 S CB -0.507 62.648 63.200 -0.076 0.000 0.771 778 S HN 0.641 nan 8.310 nan 0.000 0.522 779 I N -1.268 119.243 120.570 -0.098 0.000 3.974 779 I HA 0.604 4.690 4.170 -0.140 0.000 0.334 779 I C 0.495 176.621 176.117 0.016 0.000 1.437 779 I CA -0.842 60.450 61.300 -0.014 0.000 1.113 779 I CB -0.037 37.900 38.000 -0.105 0.000 1.063 779 I HN 0.194 nan 8.210 nan 0.000 0.400 780 A N 1.096 123.872 122.820 -0.073 0.000 2.327 780 A HA 0.673 4.909 4.320 -0.140 0.000 0.283 780 A C 0.369 177.960 177.584 0.010 0.000 1.127 780 A CA -0.176 51.827 52.037 -0.058 0.000 0.810 780 A CB 0.621 19.459 19.000 -0.269 0.000 1.066 780 A HN 0.359 nan 8.150 nan 0.000 0.492 781 S N -0.131 115.602 115.700 0.056 0.000 2.632 781 S HA 0.540 4.926 4.470 -0.140 0.000 0.267 781 S C -0.029 174.595 174.600 0.041 0.000 1.276 781 S CA -0.429 57.807 58.200 0.060 0.000 0.998 781 S CB 1.127 64.370 63.200 0.072 0.000 0.953 781 S HN 0.610 nan 8.310 nan 0.000 0.547 782 V N 1.114 121.024 119.914 -0.007 0.000 2.823 782 V HA 0.844 4.880 4.120 -0.140 0.000 0.312 782 V C -0.250 175.761 176.094 -0.140 0.000 1.072 782 V CA -0.489 61.752 62.300 -0.097 0.000 0.937 782 V CB 2.059 33.808 31.823 -0.123 0.000 1.013 782 V HN 0.825 nan 8.190 nan 0.000 0.430 783 S N 1.660 117.241 115.700 -0.197 0.000 2.543 783 S HA 0.532 4.918 4.470 -0.140 0.000 0.274 783 S C -0.723 173.751 174.600 -0.210 0.000 1.149 783 S CA -0.448 57.601 58.200 -0.252 0.000 0.866 783 S CB 2.014 64.950 63.200 -0.440 0.000 1.111 783 S HN 0.722 nan 8.310 nan 0.000 0.457 784 S N 2.031 117.623 115.700 -0.180 0.000 2.592 784 S HA 0.647 5.033 4.470 -0.140 0.000 0.271 784 S C -0.041 174.560 174.600 0.000 0.000 1.326 784 S CA -0.170 57.977 58.200 -0.089 0.000 1.024 784 S CB 1.117 64.281 63.200 -0.060 0.000 0.921 784 S HN 1.039 nan 8.310 nan 0.000 0.527 785 A N 3.379 126.229 122.820 0.050 0.000 2.431 785 A HA 0.532 4.768 4.320 -0.140 0.000 0.318 785 A C -0.403 177.227 177.584 0.078 0.000 1.330 785 A CA -0.876 51.244 52.037 0.140 0.000 0.804 785 A CB -0.017 19.034 19.000 0.086 0.000 1.135 785 A HN 0.854 nan 8.150 nan 0.000 0.483 786 N N 1.135 119.901 118.700 0.110 0.000 2.417 786 N HA 0.458 5.114 4.740 -0.140 0.000 0.300 786 N C -0.404 175.162 175.510 0.094 0.000 1.102 786 N CA -0.940 52.154 53.050 0.073 0.000 0.886 786 N CB 0.818 39.345 38.487 0.067 0.000 1.203 786 N HN 0.688 nan 8.380 nan 0.000 0.496 787 N N 0.340 119.078 118.700 0.065 0.000 2.738 787 N HA -0.198 4.458 4.740 -0.140 0.000 0.249 787 N C 0.216 175.789 175.510 0.106 0.000 1.047 787 N CA -0.149 52.943 53.050 0.069 0.000 0.707 787 N CB -1.014 37.528 38.487 0.092 0.000 0.937 787 N HN 0.536 nan 8.380 nan 0.000 0.545 788 I N 0.251 120.861 120.570 0.067 0.000 2.142 788 I HA -0.289 3.797 4.170 -0.140 0.000 0.240 788 I C 2.639 178.795 176.117 0.064 0.000 1.078 788 I CA 1.788 63.127 61.300 0.065 0.000 1.343 788 I CB -0.395 37.622 38.000 0.029 0.000 1.046 788 I HN 0.507 nan 8.210 nan 0.000 0.405 789 A N 0.833 123.667 122.820 0.023 0.000 1.948 789 A HA -0.296 3.941 4.320 -0.140 0.000 0.220 789 A C 2.384 179.950 177.584 -0.031 0.000 1.177 789 A CA 2.125 54.163 52.037 0.001 0.000 0.636 789 A CB -0.677 18.317 19.000 -0.010 0.000 0.815 789 A HN 0.431 nan 8.150 nan 0.000 0.449 790 K N -1.624 118.726 120.400 -0.083 0.000 2.160 790 K HA -0.188 4.049 4.320 -0.140 0.000 0.206 790 K C 0.798 177.184 176.600 -0.356 0.000 1.047 790 K CA 1.825 57.960 56.287 -0.254 0.000 0.930 790 K CB -0.266 32.001 32.500 -0.389 0.000 0.720 790 K HN 0.621 nan 8.250 nan 0.000 0.450 791 Y N -0.104 120.188 120.300 -0.013 0.000 2.555 791 Y HA 0.164 4.629 4.550 -0.142 0.000 0.259 791 Y C -0.276 175.622 175.900 -0.003 0.000 1.179 791 Y CA -0.746 57.348 58.100 -0.009 0.000 1.230 791 Y CB 0.627 39.071 38.460 -0.027 0.000 1.146 791 Y HN -0.010 nan 8.280 nan 0.000 0.526 792 D N 1.238 121.694 120.400 0.093 0.000 2.428 792 D HA 0.230 4.786 4.640 -0.140 0.000 0.221 792 D C -0.961 175.370 176.300 0.052 0.000 1.123 792 D CA -0.035 54.001 54.000 0.061 0.000 0.869 792 D CB 0.909 41.725 40.800 0.028 0.000 1.032 792 D HN -0.134 nan 8.370 nan 0.000 0.506 793 V N 3.756 123.721 119.914 0.085 0.000 2.277 793 V HA 0.465 4.501 4.120 -0.140 0.000 0.269 793 V C 1.292 177.466 176.094 0.133 0.000 1.036 793 V CA -0.280 62.076 62.300 0.092 0.000 0.821 793 V CB 0.856 32.739 31.823 0.100 0.000 1.052 793 V HN 0.817 nan 8.190 nan 0.000 0.462 794 G N 3.849 112.705 108.800 0.093 0.000 2.273 794 G HA2 0.005 3.881 3.960 -0.140 0.000 0.280 794 G HA3 0.005 3.881 3.960 -0.140 0.000 0.280 794 G C 1.138 176.088 174.900 0.084 0.000 1.047 794 G CA 0.558 45.728 45.100 0.115 0.000 0.869 794 G HN 2.135 nan 8.290 nan 0.000 0.502 795 G N -2.609 106.167 108.800 -0.040 0.000 2.184 795 G HA2 -0.179 3.697 3.960 -0.140 0.000 0.264 795 G HA3 -0.179 3.697 3.960 -0.140 0.000 0.264 795 G C 0.250 174.861 174.900 -0.481 0.000 0.975 795 G CA 0.753 45.700 45.100 -0.255 0.000 0.642 795 G HN 1.317 nan 8.290 nan 0.000 0.536 796 F N 1.748 121.709 119.950 0.019 0.000 2.546 796 F HA 0.583 5.027 4.527 -0.139 0.000 0.320 796 F C -1.858 173.959 175.800 0.028 0.000 1.076 796 F CA -2.487 55.525 58.000 0.019 0.000 0.928 796 F CB 2.075 41.084 39.000 0.015 0.000 1.189 796 F HN -0.191 nan 8.300 nan 0.000 0.465 797 P HA 0.109 nan 4.420 nan 0.000 0.263 797 P C -0.119 177.273 177.300 0.153 0.000 1.195 797 P CA 0.192 63.376 63.100 0.140 0.000 0.762 797 P CB 0.648 32.400 31.700 0.086 0.000 0.799 798 G N 4.241 113.146 108.800 0.174 0.000 2.532 798 G HA2 0.453 4.329 3.960 -0.140 0.000 0.291 798 G HA3 0.453 4.329 3.960 -0.140 0.000 0.291 798 G C -2.574 172.436 174.900 0.184 0.000 1.349 798 G CA -1.687 43.509 45.100 0.161 0.000 1.038 798 G HN 0.308 nan 8.290 nan 0.000 0.518 799 P HA 0.120 nan 4.420 nan 0.000 0.262 799 P C -0.136 177.304 177.300 0.233 0.000 1.182 799 P CA 0.402 63.592 63.100 0.149 0.000 0.761 799 P CB 0.442 32.206 31.700 0.106 0.000 0.795 800 K N -0.939 119.545 120.400 0.141 0.000 3.209 800 K HA -0.211 4.025 4.320 -0.140 0.000 0.289 800 K C 0.110 176.645 176.600 -0.108 0.000 1.191 800 K CA 0.210 56.553 56.287 0.093 0.000 0.851 800 K CB -2.113 30.491 32.500 0.173 0.000 1.242 800 K HN 0.542 nan 8.250 nan 0.000 0.480 801 C N 2.003 121.221 119.300 -0.137 0.000 2.592 801 C HA 0.148 4.524 4.460 -0.140 0.000 0.408 801 C C -1.484 173.257 174.990 -0.413 0.000 1.436 801 C CA -1.209 57.524 59.018 -0.475 0.000 1.595 801 C CB -0.486 27.174 27.740 -0.134 0.000 2.487 801 C HN 0.201 nan 8.230 nan 0.000 0.610 802 P HA 0.066 nan 4.420 nan 0.000 0.269 802 P C 0.529 177.736 177.300 -0.156 0.000 1.215 802 P CA -0.008 62.917 63.100 -0.292 0.000 0.780 802 P CB 0.240 31.709 31.700 -0.385 0.000 0.898 803 F N 2.620 122.528 119.950 -0.070 0.000 2.161 803 F HA -0.275 4.166 4.527 -0.142 0.000 0.300 803 F C 2.354 178.161 175.800 0.012 0.000 1.089 803 F CA 1.945 59.943 58.000 -0.003 0.000 1.282 803 F CB -0.270 38.763 39.000 0.055 0.000 1.010 803 F HN 0.480 nan 8.300 nan 0.000 0.485 804 H N -1.054 118.044 119.070 0.046 0.000 2.436 804 H HA -0.037 4.437 4.556 -0.137 0.000 0.294 804 H C 2.208 177.477 175.328 -0.099 0.000 1.048 804 H CA 1.379 57.402 56.048 -0.042 0.000 1.353 804 H CB -0.943 28.822 29.762 0.005 0.000 1.414 804 H HN 0.231 nan 8.280 nan 0.000 0.536 805 I N 1.669 121.874 120.570 -0.608 0.000 2.315 805 I HA -0.167 3.919 4.170 -0.140 0.000 0.248 805 I C 2.840 178.826 176.117 -0.219 0.000 1.117 805 I CA 0.842 61.909 61.300 -0.388 0.000 1.404 805 I CB -0.951 36.793 38.000 -0.426 0.000 1.071 805 I HN 0.229 nan 8.210 nan 0.000 0.419 806 R N 1.281 121.636 120.500 -0.243 0.000 2.091 806 R HA -0.162 4.094 4.340 -0.140 0.000 0.238 806 R C 2.367 178.561 176.300 -0.176 0.000 1.136 806 R CA 1.880 57.868 56.100 -0.186 0.000 0.959 806 R CB -0.566 29.596 30.300 -0.231 0.000 0.856 806 R HN 0.370 nan 8.270 nan 0.000 0.437 807 G N 1.026 109.684 108.800 -0.237 0.000 2.422 807 G HA2 -0.218 3.658 3.960 -0.140 0.000 0.218 807 G HA3 -0.218 3.658 3.960 -0.140 0.000 0.218 807 G C 1.478 176.357 174.900 -0.036 0.000 1.146 807 G CA 0.922 45.928 45.100 -0.157 0.000 0.769 807 G HN 0.321 nan 8.290 nan 0.000 0.547 808 I N 0.322 120.871 120.570 -0.035 0.000 2.315 808 I HA -0.072 4.014 4.170 -0.140 0.000 0.248 808 I C 2.595 178.754 176.117 0.070 0.000 1.117 808 I CA 0.494 61.817 61.300 0.039 0.000 1.404 808 I CB -0.168 37.834 38.000 0.003 0.000 1.071 808 I HN 0.129 nan 8.210 nan 0.000 0.419 809 L N -0.027 121.193 121.223 -0.005 0.000 2.056 809 L HA -0.162 4.094 4.340 -0.140 0.000 0.207 809 L C 2.631 179.472 176.870 -0.050 0.000 1.078 809 L CA 1.403 56.220 54.840 -0.038 0.000 0.749 809 L CB -1.077 40.945 42.059 -0.063 0.000 0.901 809 L HN 0.225 nan 8.230 nan 0.000 0.433 810 T N -1.016 113.524 114.554 -0.022 0.000 2.720 810 T HA -0.264 4.003 4.350 -0.140 0.000 0.268 810 T C 1.718 176.440 174.700 0.037 0.000 1.037 810 T CA 1.613 63.712 62.100 -0.002 0.000 1.144 810 T CB -0.394 68.470 68.868 -0.006 0.000 0.864 810 T HN 0.309 nan 8.240 nan 0.000 0.444 811 Y N 2.787 123.050 120.300 -0.061 0.000 2.145 811 Y HA -0.182 4.286 4.550 -0.137 0.000 0.286 811 Y C 2.229 178.123 175.900 -0.010 0.000 1.145 811 Y CA 1.308 59.387 58.100 -0.035 0.000 1.148 811 Y CB -0.550 37.919 38.460 0.016 0.000 0.981 811 Y HN 0.101 nan 8.280 nan 0.000 0.507 812 N N 0.504 119.199 118.700 -0.009 0.000 2.069 812 N HA -0.180 4.476 4.740 -0.140 0.000 0.191 812 N C 1.870 177.286 175.510 -0.157 0.000 1.031 812 N CA 1.870 54.855 53.050 -0.107 0.000 0.852 812 N CB -0.479 37.995 38.487 -0.022 0.000 1.018 812 N HN 0.426 nan 8.380 nan 0.000 0.423 813 R N 0.486 120.901 120.500 -0.141 0.000 2.152 813 R HA 0.041 4.297 4.340 -0.140 0.000 0.232 813 R C 1.950 178.192 176.300 -0.096 0.000 1.117 813 R CA 1.083 57.095 56.100 -0.147 0.000 0.981 813 R CB -0.232 29.944 30.300 -0.207 0.000 0.870 813 R HN 0.207 nan 8.270 nan 0.000 0.451 814 A N 1.441 124.213 122.820 -0.080 0.000 2.016 814 A HA -0.042 4.194 4.320 -0.140 0.000 0.217 814 A C 1.966 179.482 177.584 -0.114 0.000 1.162 814 A CA 0.835 52.860 52.037 -0.020 0.000 0.662 814 A CB -0.249 18.830 19.000 0.131 0.000 0.812 814 A HN 0.442 nan 8.150 nan 0.000 0.450 815 I N -4.834 115.593 120.570 -0.238 0.000 4.018 815 I HA 0.387 4.473 4.170 -0.140 0.000 0.337 815 I C 0.823 176.860 176.117 -0.133 0.000 1.327 815 I CA 0.049 61.217 61.300 -0.219 0.000 1.100 815 I CB -0.404 37.372 38.000 -0.373 0.000 1.025 815 I HN 0.034 nan 8.210 nan 0.000 0.396 816 K N 1.865 122.198 120.400 -0.111 0.000 2.518 816 K HA 0.420 4.657 4.320 -0.140 0.000 0.276 816 K C 1.305 177.877 176.600 -0.047 0.000 0.974 816 K CA 0.485 56.730 56.287 -0.070 0.000 0.986 816 K CB -0.742 31.720 32.500 -0.065 0.000 0.901 816 K HN 0.969 nan 8.250 nan 0.000 0.497 817 G N 0.516 109.299 108.800 -0.029 0.000 2.176 817 G HA2 -0.194 3.683 3.960 -0.140 0.000 0.253 817 G HA3 -0.194 3.683 3.960 -0.140 0.000 0.253 817 G C -0.013 174.879 174.900 -0.013 0.000 0.979 817 G CA 0.249 45.338 45.100 -0.017 0.000 0.641 817 G HN 0.841 nan 8.290 nan 0.000 0.530 818 N N 0.357 119.047 118.700 -0.017 0.000 2.776 818 N HA 0.351 5.007 4.740 -0.140 0.000 0.245 818 N C 0.858 176.373 175.510 0.008 0.000 1.121 818 N CA -0.566 52.480 53.050 -0.007 0.000 0.852 818 N CB 1.292 39.769 38.487 -0.017 0.000 1.142 818 N HN 0.123 nan 8.380 nan 0.000 0.514 819 I N 0.834 121.416 120.570 0.020 0.000 2.953 819 I HA -0.164 3.923 4.170 -0.140 0.000 0.271 819 I C 1.145 177.292 176.117 0.050 0.000 1.286 819 I CA 1.331 62.654 61.300 0.039 0.000 1.449 819 I CB 0.014 38.040 38.000 0.043 0.000 1.086 819 I HN 0.291 nan 8.210 nan 0.000 0.483 820 D N 0.034 120.458 120.400 0.039 0.000 2.363 820 D HA 0.303 4.859 4.640 -0.140 0.000 0.214 820 D C 0.551 176.889 176.300 0.063 0.000 1.093 820 D CA 0.202 54.231 54.000 0.047 0.000 0.837 820 D CB 0.144 40.961 40.800 0.027 0.000 0.948 820 D HN 0.293 nan 8.370 nan 0.000 0.507 821 A N 1.297 124.152 122.820 0.059 0.000 2.327 821 A HA 0.518 4.754 4.320 -0.140 0.000 0.283 821 A C -2.209 175.452 177.584 0.127 0.000 1.127 821 A CA -1.157 50.926 52.037 0.076 0.000 0.810 821 A CB 0.239 19.249 19.000 0.018 0.000 1.066 821 A HN 0.116 nan 8.150 nan 0.000 0.492 822 P HA 0.080 nan 4.420 nan 0.000 0.266 822 P C -0.775 176.684 177.300 0.265 0.000 1.215 822 P CA 0.150 63.375 63.100 0.208 0.000 0.763 822 P CB 0.629 32.459 31.700 0.217 0.000 0.806 823 Q N 1.685 121.592 119.800 0.177 0.000 2.260 823 Q HA 0.326 4.582 4.340 -0.140 0.000 0.238 823 Q C -0.131 175.934 176.000 0.108 0.000 0.948 823 Q CA -0.851 55.052 55.803 0.167 0.000 0.895 823 Q CB 1.328 30.120 28.738 0.090 0.000 1.218 823 Q HN 0.257 nan 8.270 nan 0.000 0.470 824 V N 2.089 122.070 119.914 0.111 0.000 2.406 824 V HA 0.146 4.183 4.120 -0.140 0.000 0.272 824 V C 0.046 176.130 176.094 -0.017 0.000 1.043 824 V CA -0.491 61.819 62.300 0.017 0.000 0.915 824 V CB 1.363 33.198 31.823 0.021 0.000 0.988 824 V HN 0.448 nan 8.190 nan 0.000 0.466 825 V N 4.853 124.728 119.914 -0.064 0.000 2.461 825 V HA 0.219 4.255 4.120 -0.140 0.000 0.275 825 V C 0.665 176.723 176.094 -0.059 0.000 1.047 825 V CA -0.643 61.608 62.300 -0.081 0.000 0.955 825 V CB 1.248 32.991 31.823 -0.133 0.000 0.988 825 V HN 0.794 nan 8.190 nan 0.000 0.471 826 E N 2.961 123.136 120.200 -0.042 0.000 2.529 826 E HA 0.086 4.352 4.350 -0.140 0.000 0.259 826 E C 1.328 177.905 176.600 -0.038 0.000 0.966 826 E CA 1.366 57.749 56.400 -0.027 0.000 0.937 826 E CB 0.724 30.412 29.700 -0.020 0.000 0.923 826 E HN 1.051 nan 8.360 nan 0.000 0.468 827 G N 3.936 112.720 108.800 -0.026 0.000 2.234 827 G HA2 -0.298 3.578 3.960 -0.140 0.000 0.260 827 G HA3 -0.298 3.578 3.960 -0.140 0.000 0.260 827 G C 0.463 175.332 174.900 -0.051 0.000 0.987 827 G CA 0.674 45.752 45.100 -0.036 0.000 0.625 827 G HN 0.542 nan 8.290 nan 0.000 0.532 828 E N 0.092 120.255 120.200 -0.060 0.000 2.790 828 E HA 0.585 4.851 4.350 -0.140 0.000 0.256 828 E C 0.245 176.791 176.600 -0.090 0.000 1.246 828 E CA -0.610 55.746 56.400 -0.074 0.000 1.041 828 E CB 0.705 30.353 29.700 -0.087 0.000 1.272 828 E HN 0.277 nan 8.360 nan 0.000 0.603 829 K N 0.397 120.716 120.400 -0.134 0.000 2.166 829 K HA 0.513 4.749 4.320 -0.140 0.000 0.245 829 K C -0.704 175.716 176.600 -0.301 0.000 0.967 829 K CA -0.668 55.499 56.287 -0.201 0.000 0.863 829 K CB 1.806 34.164 32.500 -0.236 0.000 1.107 829 K HN 0.314 nan 8.250 nan 0.000 0.436 830 V N -1.716 117.992 119.914 -0.344 0.000 3.114 830 V HA 0.481 4.517 4.120 -0.140 0.000 0.308 830 V C -1.435 174.333 176.094 -0.545 0.000 1.168 830 V CA -1.114 60.908 62.300 -0.463 0.000 1.015 830 V CB 1.047 32.693 31.823 -0.294 0.000 1.050 830 V HN 0.557 nan 8.190 nan 0.000 0.433 831 Y N 0.995 120.824 120.300 -0.785 0.000 2.335 831 Y HA 0.806 5.275 4.550 -0.135 0.000 0.323 831 Y C 0.350 175.832 175.900 -0.696 0.000 1.224 831 Y CA -0.829 56.736 58.100 -0.893 0.000 1.241 831 Y CB 1.853 39.334 38.460 -1.633 0.000 1.235 831 Y HN 0.618 nan 8.280 nan 0.000 0.492 832 V N 4.153 123.970 119.914 -0.161 0.000 2.760 832 V HA 0.537 4.573 4.120 -0.140 0.000 0.309 832 V C -0.798 175.390 176.094 0.156 0.000 1.077 832 V CA -1.071 61.245 62.300 0.027 0.000 0.910 832 V CB 2.260 34.149 31.823 0.109 0.000 1.008 832 V HN 0.525 nan 8.190 nan 0.000 0.424 833 L N 5.479 126.843 121.223 0.236 0.000 2.455 833 L HA 0.600 4.856 4.340 -0.140 0.000 0.264 833 L C -2.693 174.302 176.870 0.209 0.000 0.968 833 L CA -1.607 53.374 54.840 0.236 0.000 0.827 833 L CB 3.586 45.814 42.059 0.282 0.000 1.317 833 L HN 0.426 nan 8.230 nan 0.000 0.407 834 P HA 0.361 nan 4.420 nan 0.000 0.282 834 P C -1.362 176.046 177.300 0.181 0.000 1.249 834 P CA -0.376 62.878 63.100 0.256 0.000 0.806 834 P CB 1.572 33.435 31.700 0.272 0.000 0.984 835 L N 2.572 123.908 121.223 0.188 0.000 2.346 835 L HA 0.512 4.768 4.340 -0.140 0.000 0.274 835 L C 1.096 178.113 176.870 0.244 0.000 1.007 835 L CA -1.143 53.830 54.840 0.221 0.000 0.818 835 L CB 1.921 44.106 42.059 0.210 0.000 1.284 835 L HN 0.273 nan 8.230 nan 0.000 0.424 836 R N 1.271 121.967 120.500 0.328 0.000 2.694 836 R HA 0.112 4.369 4.340 -0.140 0.000 0.268 836 R C -0.133 176.348 176.300 0.301 0.000 1.061 836 R CA -0.540 55.755 56.100 0.324 0.000 1.133 836 R CB 0.433 30.964 30.300 0.384 0.000 1.020 836 R HN 0.619 nan 8.270 nan 0.000 0.475 837 E N 0.503 120.835 120.200 0.221 0.000 2.414 837 E HA 0.120 4.386 4.350 -0.140 0.000 0.263 837 E C 0.503 177.193 176.600 0.151 0.000 1.000 837 E CA 0.255 56.745 56.400 0.148 0.000 0.914 837 E CB 0.410 30.182 29.700 0.121 0.000 0.948 837 E HN 0.802 nan 8.360 nan 0.000 0.444 838 G N 3.078 111.882 108.800 0.008 0.000 2.176 838 G HA2 -0.330 3.546 3.960 -0.140 0.000 0.232 838 G HA3 -0.330 3.546 3.960 -0.140 0.000 0.232 838 G C 0.016 174.587 174.900 -0.548 0.000 0.986 838 G CA 0.039 45.084 45.100 -0.092 0.000 0.643 838 G HN 0.951 nan 8.290 nan 0.000 0.522 839 N N 1.022 119.282 118.700 -0.733 0.000 2.441 839 N HA 0.423 5.079 4.740 -0.140 0.000 0.251 839 N C -0.658 174.324 175.510 -0.880 0.000 1.242 839 N CA -0.645 51.550 53.050 -1.425 0.000 0.898 839 N CB 0.791 38.928 38.487 -0.583 0.000 1.100 839 N HN 0.147 nan 8.380 nan 0.000 0.443 840 P HA -0.071 nan 4.420 nan 0.000 0.239 840 P C -0.001 176.926 177.300 -0.622 0.000 1.184 840 P CA 0.799 63.484 63.100 -0.693 0.000 0.760 840 P CB -0.063 31.221 31.700 -0.692 0.000 0.884 841 F N 0.203 120.005 119.950 -0.246 0.000 2.743 841 F HA 0.313 4.757 4.527 -0.138 0.000 0.297 841 F C 1.944 177.698 175.800 -0.077 0.000 1.131 841 F CA 0.845 58.769 58.000 -0.127 0.000 1.426 841 F CB -0.875 38.071 39.000 -0.091 0.000 1.116 841 F HN 0.043 nan 8.300 nan 0.000 0.583 842 G N 0.555 109.367 108.800 0.021 0.000 2.160 842 G HA2 -0.244 3.632 3.960 -0.140 0.000 0.251 842 G HA3 -0.244 3.632 3.960 -0.140 0.000 0.251 842 G C -0.327 174.626 174.900 0.089 0.000 1.008 842 G CA 0.456 45.584 45.100 0.047 0.000 0.724 842 G HN 0.373 nan 8.290 nan 0.000 0.514 843 D N -1.687 118.764 120.400 0.085 0.000 2.710 843 D HA 0.230 4.787 4.640 -0.140 0.000 0.276 843 D C 1.301 177.641 176.300 0.065 0.000 1.267 843 D CA -0.122 53.922 54.000 0.073 0.000 0.772 843 D CB 0.400 41.240 40.800 0.067 0.000 1.299 843 D HN 0.142 nan 8.370 nan 0.000 0.421 844 K N -0.782 119.651 120.400 0.056 0.000 2.504 844 K HA 0.153 4.389 4.320 -0.140 0.000 0.195 844 K C 0.653 177.291 176.600 0.064 0.000 1.036 844 K CA 0.383 56.727 56.287 0.094 0.000 0.984 844 K CB -0.502 32.095 32.500 0.161 0.000 0.788 844 K HN 0.448 nan 8.250 nan 0.000 0.488 845 C N -1.573 117.686 119.300 -0.068 0.000 3.306 845 C HA 0.767 5.143 4.460 -0.140 0.000 0.335 845 C C -1.232 173.682 174.990 -0.125 0.000 1.382 845 C CA -1.432 57.512 59.018 -0.124 0.000 1.254 845 C CB 0.860 28.314 27.740 -0.477 0.000 1.555 845 C HN 0.389 nan 8.230 nan 0.000 0.463 846 I N 0.943 121.476 120.570 -0.063 0.000 2.827 846 I HA 0.752 4.838 4.170 -0.140 0.000 0.298 846 I C -0.647 175.546 176.117 0.127 0.000 1.235 846 I CA -0.356 60.932 61.300 -0.021 0.000 1.021 846 I CB 2.103 40.011 38.000 -0.153 0.000 1.259 846 I HN 1.381 nan 8.210 nan 0.000 0.427 847 A N 5.466 128.364 122.820 0.130 0.000 2.475 847 A HA 0.873 5.109 4.320 -0.140 0.000 0.301 847 A C -1.918 175.667 177.584 0.001 0.000 1.059 847 A CA -0.468 51.624 52.037 0.093 0.000 0.710 847 A CB 1.179 20.152 19.000 -0.044 0.000 1.288 847 A HN 0.888 nan 8.150 nan 0.000 0.408 848 W N 0.088 121.180 121.300 -0.346 0.000 3.042 848 W HA 0.721 5.302 4.660 -0.132 0.000 0.342 848 W C -3.327 173.002 176.519 -0.316 0.000 1.240 848 W CA -2.739 54.238 57.345 -0.613 0.000 1.166 848 W CB 0.233 29.338 29.460 -0.593 0.000 1.469 848 W HN 0.427 nan 8.180 nan 0.000 0.579 849 P HA -0.010 nan 4.420 nan 0.000 0.258 849 P C 0.279 177.295 177.300 -0.473 0.000 1.172 849 P CA 0.647 63.592 63.100 -0.259 0.000 0.762 849 P CB 0.604 32.265 31.700 -0.065 0.000 0.764 850 S N 2.854 118.133 115.700 -0.702 0.000 2.584 850 S HA 0.381 4.767 4.470 -0.140 0.000 0.270 850 S C 1.349 175.520 174.600 -0.714 0.000 1.346 850 S CA 0.231 57.683 58.200 -1.247 0.000 1.018 850 S CB -0.067 62.448 63.200 -1.142 0.000 0.899 850 S HN 0.934 nan 8.310 nan 0.000 0.542 851 G N 0.556 108.969 108.800 -0.643 0.000 2.148 851 G HA2 -0.175 3.701 3.960 -0.140 0.000 0.254 851 G HA3 -0.175 3.701 3.960 -0.140 0.000 0.254 851 G C 0.241 175.240 174.900 0.165 0.000 0.981 851 G CA 0.741 45.814 45.100 -0.045 0.000 0.670 851 G HN 1.943 nan 8.290 nan 0.000 0.528 852 T N -3.209 111.508 114.554 0.272 0.000 2.864 852 T HA 0.683 4.949 4.350 -0.140 0.000 0.299 852 T C -0.723 174.276 174.700 0.499 0.000 1.166 852 T CA -0.801 61.486 62.100 0.310 0.000 1.007 852 T CB 2.661 71.673 68.868 0.241 0.000 1.219 852 T HN 0.069 nan 8.240 nan 0.000 0.506 853 E N 0.800 121.204 120.200 0.340 0.000 2.343 853 E HA 0.328 4.594 4.350 -0.140 0.000 0.269 853 E C -0.191 176.545 176.600 0.228 0.000 1.047 853 E CA -0.504 56.087 56.400 0.317 0.000 0.874 853 E CB 1.825 31.640 29.700 0.190 0.000 1.033 853 E HN 0.657 nan 8.360 nan 0.000 0.409 854 I N 1.428 121.958 120.570 -0.065 0.000 2.634 854 I HA -0.056 4.031 4.170 -0.140 0.000 0.284 854 I C 0.862 176.920 176.117 -0.098 0.000 1.124 854 I CA 0.262 61.302 61.300 -0.434 0.000 1.417 854 I CB 0.936 38.319 38.000 -1.029 0.000 1.396 854 I HN 0.355 nan 8.210 nan 0.000 0.571 855 T N 4.563 119.134 114.554 0.028 0.000 2.939 855 T HA -0.100 4.166 4.350 -0.140 0.000 0.312 855 T C 0.994 175.698 174.700 0.006 0.000 1.064 855 T CA 0.089 62.224 62.100 0.058 0.000 1.136 855 T CB 0.239 69.172 68.868 0.108 0.000 1.035 855 T HN 0.695 nan 8.240 nan 0.000 0.538 856 D N 2.867 123.272 120.400 0.008 0.000 2.265 856 D HA -0.097 4.459 4.640 -0.140 0.000 0.208 856 D C 1.956 178.254 176.300 -0.003 0.000 0.977 856 D CA 1.169 55.164 54.000 -0.008 0.000 0.871 856 D CB -0.160 40.640 40.800 0.000 0.000 0.925 856 D HN 0.693 nan 8.370 nan 0.000 0.485 857 L N -0.952 120.276 121.223 0.009 0.000 2.549 857 L HA 0.064 4.321 4.340 -0.140 0.000 0.229 857 L C 1.723 178.612 176.870 0.030 0.000 1.158 857 L CA 1.062 55.908 54.840 0.010 0.000 0.842 857 L CB -0.676 41.385 42.059 0.004 0.000 0.952 857 L HN 0.135 nan 8.230 nan 0.000 0.452 858 I N -5.777 114.820 120.570 0.045 0.000 4.665 858 I HA 0.239 4.325 4.170 -0.140 0.000 0.360 858 I C 1.727 177.889 176.117 0.075 0.000 1.259 858 I CA -0.303 61.074 61.300 0.129 0.000 1.301 858 I CB -0.119 38.020 38.000 0.233 0.000 1.746 858 I HN 0.036 nan 8.210 nan 0.000 0.598 859 K N 2.103 122.479 120.400 -0.040 0.000 2.026 859 K HA -0.180 4.056 4.320 -0.140 0.000 0.208 859 K C 1.359 177.881 176.600 -0.131 0.000 1.048 859 K CA 2.520 58.709 56.287 -0.163 0.000 0.929 859 K CB -0.001 32.384 32.500 -0.191 0.000 0.713 859 K HN 0.332 nan 8.250 nan 0.000 0.439 860 D N 0.960 121.328 120.400 -0.053 0.000 2.144 860 D HA -0.150 4.406 4.640 -0.140 0.000 0.199 860 D C 1.578 177.929 176.300 0.085 0.000 0.984 860 D CA 1.146 55.136 54.000 -0.017 0.000 0.834 860 D CB -0.286 40.508 40.800 -0.010 0.000 0.955 860 D HN 0.287 nan 8.370 nan 0.000 0.465 861 D N 0.173 120.671 120.400 0.164 0.000 2.097 861 D HA -0.099 4.458 4.640 -0.140 0.000 0.195 861 D C 2.331 178.950 176.300 0.531 0.000 0.989 861 D CA 0.384 54.598 54.000 0.357 0.000 0.827 861 D CB -0.318 40.663 40.800 0.301 0.000 0.966 861 D HN 0.022 nan 8.370 nan 0.000 0.456 862 V N 0.985 121.114 119.914 0.358 0.000 2.287 862 V HA -0.224 3.813 4.120 -0.140 0.000 0.248 862 V C 2.583 178.740 176.094 0.104 0.000 1.053 862 V CA 1.196 63.605 62.300 0.181 0.000 1.027 862 V CB -0.455 31.278 31.823 -0.149 0.000 0.646 862 V HN 0.246 nan 8.190 nan 0.000 0.447 863 L N -0.657 120.554 121.223 -0.020 0.000 2.131 863 L HA -0.191 4.065 4.340 -0.140 0.000 0.210 863 L C 2.562 179.457 176.870 0.042 0.000 1.092 863 L CA 1.650 56.455 54.840 -0.058 0.000 0.759 863 L CB -0.786 41.186 42.059 -0.145 0.000 0.903 863 L HN 0.492 nan 8.230 nan 0.000 0.435 864 H N -1.171 117.897 119.070 -0.002 0.000 2.502 864 H HA -0.125 4.348 4.556 -0.140 0.000 0.283 864 H C 1.171 176.320 175.328 -0.299 0.000 1.015 864 H CA 1.151 57.107 56.048 -0.154 0.000 1.298 864 H CB 0.232 29.866 29.762 -0.214 0.000 1.411 864 H HN 0.352 nan 8.280 nan 0.000 0.556 865 W N 0.460 121.870 121.300 0.184 0.000 3.127 865 W HA 0.276 4.852 4.660 -0.141 0.000 0.344 865 W C 0.366 176.937 176.519 0.086 0.000 1.151 865 W CA -0.532 56.910 57.345 0.163 0.000 1.765 865 W CB 0.202 29.816 29.460 0.257 0.000 1.085 865 W HN -0.108 nan 8.180 nan 0.000 0.596 866 M N 1.695 121.388 119.600 0.154 0.000 2.260 866 M HA -0.071 4.326 4.480 -0.140 0.000 0.348 866 M C 0.364 176.649 176.300 -0.025 0.000 1.342 866 M CA 0.914 56.205 55.300 -0.015 0.000 1.040 866 M CB 0.244 32.665 32.600 -0.298 0.000 1.810 866 M HN -0.171 nan 8.290 nan 0.000 0.453 867 D N 3.038 123.460 120.400 0.037 0.000 2.494 867 D HA 0.054 4.610 4.640 -0.140 0.000 0.217 867 D C 0.285 176.639 176.300 0.090 0.000 1.153 867 D CA 0.070 54.134 54.000 0.106 0.000 0.954 867 D CB 0.239 41.130 40.800 0.151 0.000 1.034 867 D HN 0.466 nan 8.370 nan 0.000 0.518 868 Y N 1.300 121.688 120.300 0.145 0.000 2.224 868 Y HA -0.212 4.254 4.550 -0.139 0.000 0.289 868 Y C 2.533 178.550 175.900 0.194 0.000 1.146 868 Y CA 1.267 59.499 58.100 0.220 0.000 1.182 868 Y CB -0.227 38.336 38.460 0.172 0.000 0.983 868 Y HN 0.313 nan 8.280 nan 0.000 0.524 869 T N -0.806 113.903 114.554 0.258 0.000 2.708 869 T HA -0.168 4.098 4.350 -0.140 0.000 0.266 869 T C 2.135 176.891 174.700 0.093 0.000 1.037 869 T CA 1.603 63.785 62.100 0.135 0.000 1.146 869 T CB -0.771 68.160 68.868 0.106 0.000 0.865 869 T HN 0.096 nan 8.240 nan 0.000 0.435 870 V N 1.383 121.363 119.914 0.110 0.000 2.295 870 V HA -0.101 3.935 4.120 -0.140 0.000 0.246 870 V C 2.438 178.581 176.094 0.083 0.000 1.049 870 V CA 1.177 63.527 62.300 0.083 0.000 1.024 870 V CB -0.677 31.205 31.823 0.098 0.000 0.648 870 V HN 0.280 nan 8.190 nan 0.000 0.447 871 L N -0.407 120.898 121.223 0.136 0.000 1.989 871 L HA -0.180 4.076 4.340 -0.140 0.000 0.211 871 L C 2.244 179.194 176.870 0.133 0.000 1.071 871 L CA 2.026 56.977 54.840 0.185 0.000 0.749 871 L CB -0.870 41.358 42.059 0.282 0.000 0.890 871 L HN 0.316 nan 8.230 nan 0.000 0.431 872 L N -0.463 120.734 121.223 -0.043 0.000 1.994 872 L HA -0.207 4.049 4.340 -0.140 0.000 0.208 872 L C 2.522 179.337 176.870 -0.091 0.000 1.071 872 L CA 2.203 56.785 54.840 -0.430 0.000 0.745 872 L CB -0.883 40.723 42.059 -0.755 0.000 0.892 872 L HN 0.469 nan 8.230 nan 0.000 0.431 873 E N -0.045 120.134 120.200 -0.036 0.000 2.058 873 E HA -0.292 3.975 4.350 -0.140 0.000 0.194 873 E C 2.318 178.910 176.600 -0.013 0.000 0.997 873 E CA 2.084 58.482 56.400 -0.002 0.000 0.801 873 E CB -0.290 29.416 29.700 0.009 0.000 0.746 873 E HN 0.501 nan 8.360 nan 0.000 0.450 874 K N -0.936 119.461 120.400 -0.005 0.000 2.031 874 K HA -0.093 4.143 4.320 -0.140 0.000 0.205 874 K C 2.160 178.754 176.600 -0.011 0.000 1.049 874 K CA 1.864 58.137 56.287 -0.024 0.000 0.939 874 K CB -0.270 32.209 32.500 -0.034 0.000 0.717 874 K HN 0.382 nan 8.250 nan 0.000 0.438 875 T N -2.145 112.439 114.554 0.051 0.000 3.035 875 T HA -0.018 4.248 4.350 -0.140 0.000 0.259 875 T C 1.540 176.317 174.700 0.127 0.000 1.078 875 T CA 0.320 62.474 62.100 0.091 0.000 1.132 875 T CB -0.070 68.898 68.868 0.166 0.000 0.900 875 T HN 0.207 nan 8.240 nan 0.000 0.480 876 F N 0.859 120.778 119.950 -0.051 0.000 2.536 876 F HA 0.485 4.927 4.527 -0.141 0.000 0.278 876 F C 1.785 177.496 175.800 -0.149 0.000 0.945 876 F CA -0.514 57.438 58.000 -0.080 0.000 1.244 876 F CB -0.023 38.970 39.000 -0.011 0.000 1.118 876 F HN -0.040 nan 8.300 nan 0.000 0.725 877 I N 0.703 121.159 120.570 -0.190 0.000 2.252 877 I HA -0.266 3.821 4.170 -0.140 0.000 0.245 877 I C 2.412 178.292 176.117 -0.395 0.000 1.102 877 I CA 1.431 62.535 61.300 -0.327 0.000 1.385 877 I CB -0.488 37.492 38.000 -0.032 0.000 1.064 877 I HN 0.138 nan 8.210 nan 0.000 0.414 878 K N 1.198 121.449 120.400 -0.249 0.000 2.009 878 K HA -0.163 4.073 4.320 -0.140 0.000 0.210 878 K C -0.505 175.893 176.600 -0.337 0.000 1.049 878 K CA 1.793 57.945 56.287 -0.225 0.000 0.929 878 K CB -0.865 31.553 32.500 -0.138 0.000 0.714 878 K HN 0.201 nan 8.250 nan 0.000 0.440 879 P HA -0.183 nan 4.420 nan 0.000 0.219 879 P C 1.571 178.189 177.300 -1.137 0.000 1.150 879 P CA 0.908 63.643 63.100 -0.608 0.000 0.814 879 P CB -0.076 31.341 31.700 -0.473 0.000 0.787 880 L N 0.620 121.205 121.223 -1.062 0.000 2.083 880 L HA -0.109 4.147 4.340 -0.140 0.000 0.209 880 L C 2.303 178.712 176.870 -0.768 0.000 1.083 880 L CA 2.047 56.235 54.840 -1.086 0.000 0.752 880 L CB -1.305 40.084 42.059 -1.116 0.000 0.899 880 L HN -0.015 nan 8.230 nan 0.000 0.433 881 E N -0.049 119.769 120.200 -0.638 0.000 2.110 881 E HA -0.167 4.099 4.350 -0.140 0.000 0.193 881 E C 1.968 178.458 176.600 -0.184 0.000 0.988 881 E CA 1.235 57.456 56.400 -0.298 0.000 0.804 881 E CB -0.054 29.548 29.700 -0.163 0.000 0.745 881 E HN 0.594 nan 8.360 nan 0.000 0.458 882 G N 0.130 108.786 108.800 -0.240 0.000 2.408 882 G HA2 -0.216 3.660 3.960 -0.140 0.000 0.217 882 G HA3 -0.216 3.660 3.960 -0.140 0.000 0.217 882 G C 1.351 176.307 174.900 0.093 0.000 1.150 882 G CA 0.464 45.526 45.100 -0.065 0.000 0.776 882 G HN 0.171 nan 8.290 nan 0.000 0.542 883 F N 2.146 122.012 119.950 -0.141 0.000 2.084 883 F HA -0.069 4.373 4.527 -0.142 0.000 0.296 883 F C 3.176 178.720 175.800 -0.427 0.000 1.111 883 F CA 1.396 59.242 58.000 -0.256 0.000 1.224 883 F CB -1.503 37.321 39.000 -0.295 0.000 0.991 883 F HN 0.262 nan 8.300 nan 0.000 0.471 884 T N -2.567 111.921 114.554 -0.110 0.000 2.746 884 T HA -0.149 4.118 4.350 -0.140 0.000 0.267 884 T C 2.162 176.816 174.700 -0.077 0.000 1.039 884 T CA 1.593 63.619 62.100 -0.125 0.000 1.142 884 T CB -0.904 67.954 68.868 -0.017 0.000 0.866 884 T HN 0.120 nan 8.240 nan 0.000 0.444 885 S N 2.106 117.788 115.700 -0.029 0.000 2.359 885 S HA 0.017 4.403 4.470 -0.140 0.000 0.224 885 S C 2.667 177.277 174.600 0.016 0.000 1.035 885 S CA 1.186 59.387 58.200 0.003 0.000 1.018 885 S CB -0.984 62.227 63.200 0.018 0.000 0.876 885 S HN 0.788 nan 8.310 nan 0.000 0.448 886 A N 1.347 124.187 122.820 0.034 0.000 1.902 886 A HA 0.115 4.352 4.320 -0.140 0.000 0.217 886 A C 2.200 179.808 177.584 0.041 0.000 1.181 886 A CA 1.677 53.765 52.037 0.085 0.000 0.623 886 A CB -0.895 18.219 19.000 0.190 0.000 0.818 886 A HN 0.539 nan 8.150 nan 0.000 0.443 887 A N -1.615 121.158 122.820 -0.078 0.000 2.235 887 A HA 0.226 4.463 4.320 -0.140 0.000 0.208 887 A C 0.762 178.302 177.584 -0.073 0.000 1.172 887 A CA 0.769 52.741 52.037 -0.109 0.000 0.786 887 A CB -0.203 18.598 19.000 -0.333 0.000 0.804 887 A HN 0.347 nan 8.150 nan 0.000 0.479 888 K N -1.289 119.083 120.400 -0.046 0.000 3.162 888 K HA -0.154 4.082 4.320 -0.140 0.000 0.268 888 K C -0.598 175.978 176.600 -0.041 0.000 1.062 888 K CA 0.771 57.041 56.287 -0.029 0.000 0.769 888 K CB -2.459 30.022 32.500 -0.032 0.000 1.274 888 K HN 0.567 nan 8.250 nan 0.000 0.478 889 L N -0.340 120.850 121.223 -0.055 0.000 2.303 889 L HA 0.507 4.763 4.340 -0.140 0.000 0.256 889 L C -0.059 176.773 176.870 -0.065 0.000 1.034 889 L CA -1.025 53.781 54.840 -0.057 0.000 0.832 889 L CB 1.844 43.863 42.059 -0.068 0.000 1.403 889 L HN -0.060 nan 8.230 nan 0.000 0.419 890 D N -0.138 120.213 120.400 -0.083 0.000 2.502 890 D HA 0.216 4.773 4.640 -0.140 0.000 0.249 890 D C -0.426 175.780 176.300 -0.157 0.000 1.092 890 D CA -0.211 53.687 54.000 -0.170 0.000 0.839 890 D CB 1.951 42.639 40.800 -0.187 0.000 1.264 890 D HN 0.460 nan 8.370 nan 0.000 0.511 891 Y N -0.199 119.949 120.300 -0.254 0.000 2.490 891 Y HA 0.350 4.817 4.550 -0.138 0.000 0.281 891 Y C 0.035 175.739 175.900 -0.327 0.000 1.174 891 Y CA -0.146 57.749 58.100 -0.343 0.000 1.295 891 Y CB 0.414 38.491 38.460 -0.639 0.000 1.062 891 Y HN 0.073 nan 8.280 nan 0.000 0.522 892 E N 1.233 121.123 120.200 -0.516 0.000 2.281 892 E HA 0.348 4.614 4.350 -0.140 0.000 0.266 892 E C -0.759 175.714 176.600 -0.212 0.000 0.893 892 E CA -0.708 55.506 56.400 -0.311 0.000 0.798 892 E CB 1.487 30.937 29.700 -0.417 0.000 1.245 892 E HN 0.272 nan 8.360 nan 0.000 0.410 893 K N 3.478 123.824 120.400 -0.091 0.000 2.491 893 K HA -0.024 4.212 4.320 -0.140 0.000 0.279 893 K C 0.243 176.800 176.600 -0.072 0.000 1.026 893 K CA 0.253 56.503 56.287 -0.062 0.000 1.070 893 K CB -0.039 32.451 32.500 -0.016 0.000 0.887 893 K HN 0.188 nan 8.250 nan 0.000 0.481 894 K N 1.044 121.404 120.400 -0.067 0.000 2.168 894 K HA 0.365 4.601 4.320 -0.140 0.000 0.258 894 K C 1.722 178.308 176.600 -0.024 0.000 1.010 894 K CA 0.425 56.679 56.287 -0.055 0.000 0.929 894 K CB 1.314 33.788 32.500 -0.043 0.000 0.998 894 K HN 0.710 nan 8.250 nan 0.000 0.479 895 A N 1.410 124.219 122.820 -0.017 0.000 1.855 895 A HA -0.098 4.138 4.320 -0.140 0.000 0.215 895 A C 0.937 178.527 177.584 0.010 0.000 1.191 895 A CA 1.827 53.861 52.037 -0.005 0.000 0.613 895 A CB -0.209 18.786 19.000 -0.008 0.000 0.829 895 A HN 0.747 nan 8.150 nan 0.000 0.442 896 S N -2.731 112.987 115.700 0.029 0.000 2.667 896 S HA 0.620 5.006 4.470 -0.140 0.000 0.292 896 S C 0.572 175.237 174.600 0.109 0.000 1.126 896 S CA -0.483 57.755 58.200 0.062 0.000 0.881 896 S CB 0.995 64.229 63.200 0.056 0.000 1.132 896 S HN 0.171 nan 8.310 nan 0.000 0.492 897 L N -0.619 120.699 121.223 0.160 0.000 2.131 897 L HA 0.055 4.312 4.340 -0.140 0.000 0.210 897 L C 0.594 177.577 176.870 0.187 0.000 1.092 897 L CA 1.080 56.015 54.840 0.160 0.000 0.759 897 L CB -0.542 41.626 42.059 0.181 0.000 0.903 897 L HN 0.587 nan 8.230 nan 0.000 0.435 898 F N 1.643 121.594 119.950 0.001 0.000 2.625 898 F HA -0.027 4.417 4.527 -0.140 0.000 0.373 898 F C 0.764 176.571 175.800 0.012 0.000 1.158 898 F CA -0.750 57.256 58.000 0.009 0.000 1.354 898 F CB -0.962 38.041 39.000 0.006 0.000 1.692 898 F HN 0.193 nan 8.300 nan 0.000 0.634 899 D N -0.571 119.885 120.400 0.093 0.000 3.071 899 D HA 0.085 4.641 4.640 -0.140 0.000 0.259 899 D C 0.492 176.841 176.300 0.082 0.000 1.331 899 D CA -0.092 53.944 54.000 0.061 0.000 0.861 899 D CB -0.139 40.677 40.800 0.027 0.000 1.059 899 D HN 0.045 nan 8.370 nan 0.000 0.486 900 M N -0.501 119.160 119.600 0.101 0.000 2.513 900 M HA 0.401 4.797 4.480 -0.140 0.000 0.250 900 M C 0.189 176.710 176.300 0.368 0.000 1.145 900 M CA -0.843 54.581 55.300 0.207 0.000 0.948 900 M CB -0.073 32.555 32.600 0.047 0.000 1.405 900 M HN -0.090 nan 8.290 nan 0.000 0.546 901 F N 1.119 121.051 119.950 -0.030 0.000 2.423 901 F HA 0.187 4.630 4.527 -0.140 0.000 0.356 901 F C -0.212 175.584 175.800 -0.007 0.000 1.170 901 F CA -0.456 57.534 58.000 -0.017 0.000 1.163 901 F CB -0.122 38.867 39.000 -0.018 0.000 1.318 901 F HN 0.608 nan 8.300 nan 0.000 0.569 902 D N 1.525 122.022 120.400 0.160 0.000 2.846 902 D HA -0.213 4.343 4.640 -0.140 0.000 0.231 902 D C 0.363 176.731 176.300 0.113 0.000 1.102 902 D CA 1.405 55.472 54.000 0.112 0.000 0.744 902 D CB -1.607 39.251 40.800 0.097 0.000 1.092 902 D HN 0.487 nan 8.370 nan 0.000 0.437 903 F N 0.000 120.026 119.950 0.127 0.000 2.286 903 F HA 0.000 4.443 4.527 -0.140 0.000 0.279 903 F CA 0.000 58.066 58.000 0.110 0.000 1.383 903 F CB 0.000 39.223 39.000 0.372 0.000 1.145 903 F HN 0.000 nan 8.300 nan 0.000 0.574