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 3cq8_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKEFYLTVEQ IGDSIFERYI DSNGRERTRE VEYKPSLFAH CPESQATKYF DATA SEQUENCE DIYGKPCTRK LFANMRDASQ WIKRMEDIGL EALGMDDFKL AYLSDTYNYE DATA SEQUENCE IKYDHTKIRV ANFDIEVTSP DGFPEPSQAK HPIDAITHYD SIDDRFYVFD DATA SEQUENCE LLNSPYGNVE EWSIEIAAKL QEQGGDEVPS EIIDKIIYMP FDNEKELLME DATA SEQUENCE YLNFWQQKTP VILTGWNVES FAIPYVYNRI KNIFGESTAK RLSPHRKTRV DATA SEQUENCE KVIENMYGSR EIITLFGISV LDYIDLYKKF SFTNQPSYSL DYISEFELNV DATA SEQUENCE GKLKYDGPIS KLRESNHQRY ISYNIIAVYR VLQIDAKRQF INLSLDMGYY DATA SEQUENCE AKIQIQSVFS PIKTWDAIIF NSLKEQNKVI PQGRSHPVQP YPGAFVKEPI DATA SEQUENCE PNRYKYVMSF DLTSFYPSII 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 FD 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 0.000 176.355 176.300 0.092 0.000 1.140 1 M CA 0.000 55.337 55.300 0.062 0.000 0.988 1 M CB 0.000 32.648 32.600 0.081 0.000 1.302 2 K N 1.706 122.170 120.400 0.106 0.000 2.326 2 K HA 0.316 4.639 4.320 0.006 0.000 0.275 2 K C -0.535 176.257 176.600 0.320 0.000 1.018 2 K CA 0.003 56.379 56.287 0.149 0.000 0.962 2 K CB 0.606 33.185 32.500 0.132 0.000 0.953 2 K HN 0.672 nan 8.250 nan 0.000 0.475 3 E N 1.835 122.268 120.200 0.389 0.000 2.354 3 E HA 0.231 4.585 4.350 0.006 0.000 0.269 3 E C -0.487 176.504 176.600 0.652 0.000 1.036 3 E CA -0.173 56.512 56.400 0.475 0.000 0.876 3 E CB 0.465 30.450 29.700 0.476 0.000 1.009 3 E HN 0.359 nan 8.360 nan 0.000 0.416 4 F N 0.263 120.379 119.950 0.276 0.000 2.591 4 F HA 0.373 4.904 4.527 0.006 0.000 0.309 4 F C -0.830 174.958 175.800 -0.020 0.000 1.098 4 F CA -1.595 56.354 58.000 -0.085 0.000 0.937 4 F CB 0.312 39.119 39.000 -0.322 0.000 1.250 4 F HN 0.390 nan 8.300 nan 0.000 0.447 5 Y N 1.791 121.977 120.300 -0.189 0.000 2.357 5 Y HA 0.620 5.174 4.550 0.006 0.000 0.340 5 Y C -0.136 175.894 175.900 0.216 0.000 1.260 5 Y CA -0.821 57.320 58.100 0.068 0.000 1.425 5 Y CB 0.486 38.977 38.460 0.051 0.000 1.326 5 Y HN 0.751 nan 8.280 nan 0.000 0.580 6 L N 0.538 121.979 121.223 0.364 0.000 2.675 6 L HA 0.257 4.600 4.340 0.006 0.000 0.178 6 L C 0.361 177.429 176.870 0.330 0.000 1.135 6 L CA 0.627 55.630 54.840 0.272 0.000 0.855 6 L CB 0.336 42.480 42.059 0.141 0.000 1.235 6 L HN 0.908 nan 8.230 nan 0.000 0.499 7 T N -2.269 112.464 114.554 0.298 0.000 2.903 7 T HA 0.670 5.023 4.350 0.006 0.000 0.299 7 T C -1.101 173.716 174.700 0.195 0.000 1.093 7 T CA -0.647 61.588 62.100 0.224 0.000 1.002 7 T CB 2.610 71.577 68.868 0.165 0.000 1.127 7 T HN -0.111 nan 8.240 nan 0.000 0.488 8 V N 0.813 120.779 119.914 0.086 0.000 2.888 8 V HA 0.770 4.893 4.120 0.006 0.000 0.309 8 V C -1.804 174.269 176.094 -0.035 0.000 1.114 8 V CA -0.475 61.823 62.300 -0.004 0.000 0.940 8 V CB 1.949 33.702 31.823 -0.117 0.000 1.021 8 V HN 1.088 nan 8.190 nan 0.000 0.426 9 E N 3.733 123.909 120.200 -0.040 0.000 2.413 9 E HA 0.368 4.721 4.350 0.006 0.000 0.277 9 E C -1.647 174.940 176.600 -0.022 0.000 0.958 9 E CA -0.648 55.726 56.400 -0.044 0.000 0.779 9 E CB 2.531 32.250 29.700 0.033 0.000 1.278 9 E HN 0.724 nan 8.360 nan 0.000 0.456 10 Q N 1.970 121.786 119.800 0.026 0.000 2.348 10 Q HA 0.506 4.849 4.340 0.006 0.000 0.265 10 Q C -1.087 174.968 176.000 0.092 0.000 0.998 10 Q CA -0.382 55.466 55.803 0.074 0.000 0.831 10 Q CB 0.723 29.530 28.738 0.115 0.000 1.251 10 Q HN 0.496 nan 8.270 nan 0.000 0.456 11 I N 4.719 125.308 120.570 0.032 0.000 2.466 11 I HA 0.371 4.545 4.170 0.006 0.000 0.279 11 I C 0.747 176.875 176.117 0.018 0.000 1.033 11 I CA -0.328 60.937 61.300 -0.058 0.000 1.123 11 I CB 1.189 38.963 38.000 -0.376 0.000 1.237 11 I HN 1.001 nan 8.210 nan 0.000 0.460 12 G N 5.697 114.515 108.800 0.030 0.000 2.565 12 G HA2 -0.269 3.695 3.960 0.006 0.000 0.295 12 G HA3 -0.269 3.695 3.960 0.006 0.000 0.295 12 G C 0.272 175.214 174.900 0.070 0.000 1.165 12 G CA 0.289 45.415 45.100 0.044 0.000 0.977 12 G HN 0.598 nan 8.290 nan 0.000 0.546 13 D N 1.877 122.317 120.400 0.067 0.000 2.491 13 D HA 0.437 5.080 4.640 0.006 0.000 0.228 13 D C 0.139 176.491 176.300 0.087 0.000 1.183 13 D CA 0.717 54.751 54.000 0.058 0.000 0.827 13 D CB 0.371 41.191 40.800 0.033 0.000 0.989 13 D HN 0.288 nan 8.370 nan 0.000 0.494 14 S N 0.253 116.034 115.700 0.135 0.000 2.536 14 S HA 0.505 4.979 4.470 0.006 0.000 0.287 14 S C -0.118 174.611 174.600 0.214 0.000 1.101 14 S CA -0.584 57.728 58.200 0.188 0.000 0.950 14 S CB 2.400 65.795 63.200 0.326 0.000 1.056 14 S HN 0.077 nan 8.310 nan 0.000 0.481 15 I N 2.922 123.563 120.570 0.117 0.000 2.371 15 I HA 0.328 4.502 4.170 0.006 0.000 0.282 15 I C -1.160 174.941 176.117 -0.027 0.000 1.031 15 I CA -0.408 60.876 61.300 -0.027 0.000 1.180 15 I CB 0.477 38.267 38.000 -0.351 0.000 1.336 15 I HN 0.569 nan 8.210 nan 0.000 0.467 16 F N 5.554 125.339 119.950 -0.275 0.000 2.438 16 F HA 0.261 4.791 4.527 0.006 0.000 0.356 16 F C 0.750 176.428 175.800 -0.202 0.000 1.099 16 F CA -0.209 57.604 58.000 -0.312 0.000 1.185 16 F CB 0.764 39.325 39.000 -0.731 0.000 1.115 16 F HN 0.461 nan 8.300 nan 0.000 0.526 17 E N 4.411 124.635 120.200 0.039 0.000 2.266 17 E HA 0.450 4.803 4.350 0.006 0.000 0.268 17 E C -1.128 175.652 176.600 0.300 0.000 0.879 17 E CA -0.978 55.496 56.400 0.124 0.000 0.762 17 E CB 1.409 31.126 29.700 0.028 0.000 1.199 17 E HN 0.607 nan 8.360 nan 0.000 0.422 18 R N 3.086 123.791 120.500 0.341 0.000 2.437 18 R HA 0.371 4.714 4.340 0.006 0.000 0.310 18 R C -1.183 175.344 176.300 0.378 0.000 0.955 18 R CA -0.593 55.702 56.100 0.325 0.000 0.851 18 R CB 1.018 31.444 30.300 0.210 0.000 1.161 18 R HN 0.447 nan 8.270 nan 0.000 0.446 19 Y N 0.187 120.522 120.300 0.059 0.000 2.715 19 Y HA 0.606 5.160 4.550 0.006 0.000 0.331 19 Y C -1.083 174.718 175.900 -0.166 0.000 1.197 19 Y CA -1.776 56.313 58.100 -0.019 0.000 1.079 19 Y CB 1.010 39.547 38.460 0.129 0.000 1.298 19 Y HN 0.171 nan 8.280 nan 0.000 0.477 20 I N 3.258 123.575 120.570 -0.422 0.000 2.382 20 I HA 0.207 4.381 4.170 0.006 0.000 0.285 20 I C -0.793 175.163 176.117 -0.268 0.000 1.007 20 I CA -0.776 60.211 61.300 -0.523 0.000 1.142 20 I CB 0.506 37.973 38.000 -0.888 0.000 1.289 20 I HN 0.835 nan 8.210 nan 0.000 0.453 21 D N 3.507 123.740 120.400 -0.278 0.000 2.358 21 D HA 0.037 4.680 4.640 0.006 0.000 0.244 21 D C 1.275 177.601 176.300 0.044 0.000 1.163 21 D CA -0.367 53.614 54.000 -0.032 0.000 0.945 21 D CB 0.696 41.447 40.800 -0.082 0.000 1.152 21 D HN 0.357 nan 8.370 nan 0.000 0.451 22 S N 0.379 116.143 115.700 0.107 0.000 2.432 22 S HA -0.309 4.164 4.470 0.006 0.000 0.243 22 S C 1.414 176.048 174.600 0.057 0.000 1.069 22 S CA 1.816 60.071 58.200 0.091 0.000 1.047 22 S CB -0.556 62.692 63.200 0.080 0.000 0.854 22 S HN 0.525 nan 8.310 nan 0.000 0.474 23 N N 0.228 118.945 118.700 0.030 0.000 2.300 23 N HA 0.096 4.839 4.740 0.006 0.000 0.179 23 N C 1.552 177.070 175.510 0.014 0.000 1.016 23 N CA 1.187 54.246 53.050 0.016 0.000 0.876 23 N CB -0.337 38.150 38.487 -0.000 0.000 0.979 23 N HN 0.636 nan 8.380 nan 0.000 0.432 24 G N -1.291 107.510 108.800 0.002 0.000 2.227 24 G HA2 -0.124 3.840 3.960 0.006 0.000 0.168 24 G HA3 -0.124 3.840 3.960 0.006 0.000 0.168 24 G C 0.267 175.143 174.900 -0.041 0.000 1.006 24 G CA 0.163 45.268 45.100 0.009 0.000 0.684 24 G HN 0.696 nan 8.290 nan 0.000 0.489 25 R N 0.665 121.115 120.500 -0.082 0.000 2.532 25 R HA 0.843 5.186 4.340 0.006 0.000 0.272 25 R C 0.165 176.342 176.300 -0.204 0.000 1.032 25 R CA 0.278 56.310 56.100 -0.115 0.000 1.089 25 R CB 0.406 30.648 30.300 -0.097 0.000 1.098 25 R HN 0.571 nan 8.270 nan 0.000 0.526 26 E N 1.569 121.657 120.200 -0.187 0.000 2.259 26 E HA 0.283 4.636 4.350 0.006 0.000 0.281 26 E C -0.647 175.797 176.600 -0.260 0.000 1.027 26 E CA -0.452 55.809 56.400 -0.233 0.000 0.838 26 E CB 0.523 30.133 29.700 -0.149 0.000 1.066 26 E HN 0.472 nan 8.360 nan 0.000 0.401 27 R N 2.199 122.457 120.500 -0.403 0.000 2.905 27 R HA 0.568 4.911 4.340 0.006 0.000 0.260 27 R C -0.985 175.265 176.300 -0.084 0.000 1.086 27 R CA -0.825 55.083 56.100 -0.319 0.000 0.978 27 R CB 1.968 31.936 30.300 -0.553 0.000 1.215 27 R HN 0.520 nan 8.270 nan 0.000 0.480 28 T N 1.738 116.353 114.554 0.101 0.000 3.032 28 T HA 0.492 4.845 4.350 0.006 0.000 0.312 28 T C -0.928 173.890 174.700 0.196 0.000 1.078 28 T CA -0.916 61.315 62.100 0.219 0.000 1.028 28 T CB 2.028 71.001 68.868 0.176 0.000 1.091 28 T HN 0.609 nan 8.240 nan 0.000 0.457 29 R N 1.269 121.867 120.500 0.165 0.000 2.725 29 R HA 0.725 5.068 4.340 0.006 0.000 0.277 29 R C -1.165 175.013 176.300 -0.203 0.000 0.987 29 R CA -1.083 55.022 56.100 0.008 0.000 0.901 29 R CB 2.209 32.545 30.300 0.060 0.000 1.207 29 R HN 0.556 nan 8.270 nan 0.000 0.463 30 E N 1.969 121.974 120.200 -0.326 0.000 2.191 30 E HA 0.444 4.797 4.350 0.006 0.000 0.278 30 E C -1.314 175.147 176.600 -0.232 0.000 0.972 30 E CA -0.967 55.108 56.400 -0.542 0.000 0.804 30 E CB 1.847 31.143 29.700 -0.674 0.000 1.110 30 E HN 0.407 nan 8.360 nan 0.000 0.394 31 V N 4.140 123.962 119.914 -0.153 0.000 2.668 31 V HA 0.140 4.264 4.120 0.006 0.000 0.304 31 V C -0.832 175.299 176.094 0.062 0.000 1.071 31 V CA -0.791 61.506 62.300 -0.005 0.000 0.894 31 V CB 1.896 33.776 31.823 0.095 0.000 1.008 31 V HN 0.768 nan 8.190 nan 0.000 0.425 32 E N 3.824 124.064 120.200 0.066 0.000 1.856 32 E HA 0.155 4.508 4.350 0.006 0.000 0.263 32 E C -0.836 175.834 176.600 0.118 0.000 1.137 32 E CA -0.421 56.024 56.400 0.075 0.000 1.007 32 E CB 0.403 30.121 29.700 0.031 0.000 1.117 32 E HN 0.587 nan 8.360 nan 0.000 0.438 33 Y N 2.725 123.048 120.300 0.038 0.000 2.717 33 Y HA -0.101 4.452 4.550 0.006 0.000 0.330 33 Y C -0.028 175.861 175.900 -0.019 0.000 1.217 33 Y CA 0.008 58.146 58.100 0.063 0.000 1.506 33 Y CB 0.374 38.928 38.460 0.156 0.000 1.268 33 Y HN 0.123 nan 8.280 nan 0.000 0.561 34 K N 9.319 129.416 120.400 -0.505 0.000 2.257 34 K HA 0.265 4.588 4.320 0.006 0.000 0.270 34 K C -2.461 173.615 176.600 -0.874 0.000 1.098 34 K CA -1.728 54.263 56.287 -0.493 0.000 0.943 34 K CB 0.540 32.879 32.500 -0.268 0.000 1.316 34 K HN 0.491 nan 8.250 nan 0.000 0.447 35 P HA 0.182 nan 4.420 nan 0.000 0.279 35 P C -0.609 176.571 177.300 -0.200 0.000 1.276 35 P CA -0.539 62.175 63.100 -0.644 0.000 0.801 35 P CB 1.212 32.508 31.700 -0.673 0.000 1.127 36 S N -0.490 115.191 115.700 -0.030 0.000 2.549 36 S HA 0.667 5.140 4.470 0.006 0.000 0.280 36 S C -0.330 174.329 174.600 0.098 0.000 1.109 36 S CA -0.556 57.637 58.200 -0.013 0.000 0.905 36 S CB 1.055 64.175 63.200 -0.132 0.000 1.081 36 S HN 0.330 nan 8.310 nan 0.000 0.477 37 L N 0.849 122.069 121.223 -0.006 0.000 2.251 37 L HA 0.752 5.095 4.340 0.006 0.000 0.244 37 L C -1.693 175.059 176.870 -0.197 0.000 1.095 37 L CA -0.853 54.083 54.840 0.161 0.000 0.910 37 L CB 1.422 43.654 42.059 0.287 0.000 1.516 37 L HN 0.564 nan 8.230 nan 0.000 0.429 38 F N -0.097 119.907 119.950 0.090 0.000 2.601 38 F HA 0.739 5.270 4.527 0.006 0.000 0.309 38 F C -0.178 175.723 175.800 0.169 0.000 1.089 38 F CA -0.708 57.302 58.000 0.017 0.000 0.940 38 F CB 2.097 41.074 39.000 -0.038 0.000 1.273 38 F HN 0.300 nan 8.300 nan 0.000 0.450 39 A N 1.026 123.998 122.820 0.253 0.000 2.359 39 A HA 0.608 4.931 4.320 0.006 0.000 0.303 39 A C -1.255 176.434 177.584 0.175 0.000 1.066 39 A CA -0.643 51.558 52.037 0.273 0.000 0.730 39 A CB 0.277 19.490 19.000 0.356 0.000 1.211 39 A HN 0.911 nan 8.150 nan 0.000 0.439 40 H N 0.044 119.217 119.070 0.172 0.000 3.038 40 H HA 0.272 4.831 4.556 0.006 0.000 0.338 40 H C 0.719 176.098 175.328 0.085 0.000 1.041 40 H CA 1.654 57.773 56.048 0.118 0.000 1.394 40 H CB 0.401 30.222 29.762 0.099 0.000 1.357 40 H HN 0.965 nan 8.280 nan 0.000 0.600 41 C N 2.499 121.916 119.300 0.196 0.000 3.154 41 C HA 0.595 5.058 4.460 0.006 0.000 0.312 41 C C -2.666 172.369 174.990 0.075 0.000 1.349 41 C CA -2.435 56.645 59.018 0.104 0.000 1.518 41 C CB 1.248 29.022 27.740 0.057 0.000 1.934 41 C HN 0.536 nan 8.230 nan 0.000 0.462 42 P HA 0.207 nan 4.420 nan 0.000 0.267 42 P C 0.449 177.776 177.300 0.044 0.000 1.200 42 P CA 0.323 63.448 63.100 0.042 0.000 0.772 42 P CB 0.434 32.154 31.700 0.033 0.000 0.855 43 E N 0.437 120.670 120.200 0.055 0.000 2.268 43 E HA -0.109 4.245 4.350 0.006 0.000 0.195 43 E C 1.458 178.097 176.600 0.064 0.000 0.995 43 E CA 0.871 57.317 56.400 0.075 0.000 0.836 43 E CB -0.168 29.588 29.700 0.094 0.000 0.763 43 E HN 0.405 nan 8.360 nan 0.000 0.491 44 S N 0.771 116.499 115.700 0.047 0.000 2.440 44 S HA -0.171 4.302 4.470 0.006 0.000 0.238 44 S C 1.254 175.875 174.600 0.035 0.000 1.010 44 S CA 0.732 58.955 58.200 0.039 0.000 0.972 44 S CB -0.033 63.184 63.200 0.029 0.000 0.774 44 S HN 0.252 nan 8.310 nan 0.000 0.501 45 Q N 1.229 121.048 119.800 0.031 0.000 2.916 45 Q HA 0.530 4.873 4.340 0.006 0.000 0.314 45 Q C -0.340 175.671 176.000 0.019 0.000 1.194 45 Q CA -0.609 55.207 55.803 0.021 0.000 1.079 45 Q CB 0.207 28.952 28.738 0.011 0.000 1.322 45 Q HN 0.414 nan 8.270 nan 0.000 0.500 46 A N 1.486 124.333 122.820 0.045 0.000 2.507 46 A HA 0.346 4.669 4.320 0.006 0.000 0.235 46 A C 0.498 178.109 177.584 0.046 0.000 1.070 46 A CA 0.834 52.915 52.037 0.074 0.000 0.768 46 A CB 0.277 19.348 19.000 0.118 0.000 1.011 46 A HN 0.768 nan 8.150 nan 0.000 0.502 47 T N -1.606 112.968 114.554 0.033 0.000 2.627 47 T HA 0.399 4.753 4.350 0.006 0.000 0.294 47 T C 0.632 175.400 174.700 0.113 0.000 1.230 47 T CA 0.155 62.284 62.100 0.048 0.000 1.084 47 T CB 0.886 69.783 68.868 0.050 0.000 1.693 47 T HN 0.531 nan 8.240 nan 0.000 0.465 48 K N -0.899 119.529 120.400 0.048 0.000 2.348 48 K HA 0.230 4.553 4.320 0.006 0.000 0.194 48 K C -0.715 175.799 176.600 -0.143 0.000 1.052 48 K CA -0.120 56.105 56.287 -0.102 0.000 1.004 48 K CB 0.263 32.521 32.500 -0.403 0.000 0.873 48 K HN 0.553 nan 8.250 nan 0.000 0.523 49 Y N -0.096 120.251 120.300 0.078 0.000 2.341 49 Y HA 0.439 4.992 4.550 0.006 0.000 0.337 49 Y C -0.669 175.127 175.900 -0.172 0.000 1.014 49 Y CA -1.052 57.099 58.100 0.086 0.000 1.111 49 Y CB 0.897 39.479 38.460 0.203 0.000 1.194 49 Y HN -0.192 nan 8.280 nan 0.000 0.462 50 F N 1.510 121.565 119.950 0.174 0.000 2.581 50 F HA 0.286 4.816 4.527 0.006 0.000 0.311 50 F C -0.185 175.666 175.800 0.084 0.000 1.113 50 F CA -1.629 56.454 58.000 0.139 0.000 0.935 50 F CB 1.406 40.469 39.000 0.106 0.000 1.232 50 F HN 0.533 nan 8.300 nan 0.000 0.445 51 D N 1.786 122.352 120.400 0.277 0.000 2.349 51 D HA -0.007 4.637 4.640 0.006 0.000 0.239 51 D C 1.468 177.846 176.300 0.130 0.000 1.315 51 D CA -0.171 53.936 54.000 0.178 0.000 0.937 51 D CB 0.435 41.395 40.800 0.267 0.000 1.133 51 D HN 0.652 nan 8.370 nan 0.000 0.489 52 I N -3.233 117.325 120.570 -0.020 0.000 2.700 52 I HA -0.166 4.007 4.170 0.006 0.000 0.261 52 I C 0.621 176.577 176.117 -0.268 0.000 1.219 52 I CA 0.818 61.998 61.300 -0.200 0.000 1.463 52 I CB -0.585 37.200 38.000 -0.359 0.000 1.092 52 I HN 0.223 nan 8.210 nan 0.000 0.452 53 Y N 1.839 122.223 120.300 0.140 0.000 2.493 53 Y HA 0.479 5.032 4.550 0.006 0.000 0.275 53 Y C 1.916 177.892 175.900 0.126 0.000 1.183 53 Y CA 0.211 58.385 58.100 0.122 0.000 1.258 53 Y CB 0.422 38.952 38.460 0.116 0.000 1.108 53 Y HN 0.358 nan 8.280 nan 0.000 0.521 54 G N 0.260 109.207 108.800 0.245 0.000 2.253 54 G HA2 -0.299 3.664 3.960 0.006 0.000 0.251 54 G HA3 -0.299 3.664 3.960 0.006 0.000 0.251 54 G C 0.400 175.536 174.900 0.393 0.000 0.998 54 G CA -0.267 44.965 45.100 0.220 0.000 0.621 54 G HN 0.312 nan 8.290 nan 0.000 0.524 55 K N 2.517 123.149 120.400 0.387 0.000 2.401 55 K HA 0.343 4.667 4.320 0.006 0.000 0.278 55 K C -1.921 174.931 176.600 0.420 0.000 1.018 55 K CA -1.035 55.468 56.287 0.360 0.000 0.981 55 K CB 0.928 33.561 32.500 0.222 0.000 0.933 55 K HN 0.203 nan 8.250 nan 0.000 0.477 56 P HA 0.025 nan 4.420 nan 0.000 0.271 56 P C -0.596 176.719 177.300 0.025 0.000 1.218 56 P CA -0.319 62.677 63.100 -0.174 0.000 0.780 56 P CB 0.705 32.301 31.700 -0.173 0.000 0.901 57 C N 0.796 120.059 119.300 -0.062 0.000 3.080 57 C HA 0.605 5.068 4.460 0.006 0.000 0.307 57 C C 0.071 175.116 174.990 0.092 0.000 1.311 57 C CA -0.218 58.863 59.018 0.104 0.000 1.533 57 C CB 2.070 29.926 27.740 0.193 0.000 1.970 57 C HN 0.500 nan 8.230 nan 0.000 0.467 58 T N 1.157 115.749 114.554 0.064 0.000 2.855 58 T HA 0.530 4.883 4.350 0.006 0.000 0.281 58 T C -0.419 174.089 174.700 -0.320 0.000 1.007 58 T CA -0.433 61.620 62.100 -0.080 0.000 1.009 58 T CB 1.088 69.906 68.868 -0.083 0.000 0.983 58 T HN 0.714 nan 8.240 nan 0.000 0.455 59 R N 2.111 122.268 120.500 -0.572 0.000 2.312 59 R HA 0.443 4.786 4.340 0.006 0.000 0.311 59 R C -0.812 175.045 176.300 -0.738 0.000 1.004 59 R CA -0.616 54.850 56.100 -1.057 0.000 0.902 59 R CB 0.514 30.103 30.300 -1.184 0.000 1.073 59 R HN 0.482 nan 8.270 nan 0.000 0.457 60 K N 4.804 124.715 120.400 -0.814 0.000 2.323 60 K HA 0.286 4.609 4.320 0.006 0.000 0.259 60 K C -1.212 174.890 176.600 -0.830 0.000 0.947 60 K CA -0.950 54.827 56.287 -0.849 0.000 0.819 60 K CB 1.968 33.775 32.500 -1.155 0.000 1.109 60 K HN 0.346 nan 8.250 nan 0.000 0.429 61 L N 3.787 124.570 121.223 -0.733 0.000 2.295 61 L HA 0.486 4.829 4.340 0.006 0.000 0.285 61 L C -1.313 175.179 176.870 -0.631 0.000 1.035 61 L CA -0.253 54.286 54.840 -0.501 0.000 0.806 61 L CB 0.392 42.250 42.059 -0.335 0.000 1.214 61 L HN 0.378 nan 8.230 nan 0.000 0.426 62 F N 3.239 122.994 119.950 -0.325 0.000 2.425 62 F HA 0.534 5.065 4.527 0.006 0.000 0.331 62 F C 1.319 176.981 175.800 -0.231 0.000 1.085 62 F CA -0.236 57.601 58.000 -0.271 0.000 1.028 62 F CB 1.369 40.208 39.000 -0.269 0.000 1.177 62 F HN 0.611 nan 8.300 nan 0.000 0.487 63 A N 2.217 125.028 122.820 -0.014 0.000 2.070 63 A HA -0.023 4.300 4.320 0.006 0.000 0.220 63 A C 0.310 177.869 177.584 -0.043 0.000 1.159 63 A CA 1.422 53.432 52.037 -0.045 0.000 0.656 63 A CB -1.093 17.887 19.000 -0.034 0.000 0.800 63 A HN 0.919 nan 8.150 nan 0.000 0.453 64 N N -4.489 114.190 118.700 -0.034 0.000 3.185 64 N HA 0.300 5.043 4.740 0.006 0.000 0.238 64 N C 0.218 175.631 175.510 -0.162 0.000 1.451 64 N CA -0.523 52.480 53.050 -0.079 0.000 0.888 64 N CB 0.329 38.796 38.487 -0.033 0.000 1.413 64 N HN -0.082 nan 8.380 nan 0.000 0.511 65 M N 0.408 119.864 119.600 -0.239 0.000 2.213 65 M HA -0.066 4.417 4.480 0.006 0.000 0.263 65 M C 1.927 178.108 176.300 -0.199 0.000 1.062 65 M CA 1.654 56.678 55.300 -0.459 0.000 1.105 65 M CB -0.424 31.963 32.600 -0.355 0.000 1.385 65 M HN 0.492 nan 8.290 nan 0.000 0.417 66 R N 0.390 120.858 120.500 -0.052 0.000 2.096 66 R HA -0.132 4.212 4.340 0.006 0.000 0.235 66 R C 1.603 177.908 176.300 0.009 0.000 1.127 66 R CA 1.252 57.362 56.100 0.016 0.000 0.968 66 R CB -0.413 29.904 30.300 0.028 0.000 0.861 66 R HN 0.401 nan 8.270 nan 0.000 0.440 67 D N 0.555 120.956 120.400 0.001 0.000 2.149 67 D HA -0.068 4.575 4.640 0.006 0.000 0.201 67 D C 1.803 178.090 176.300 -0.022 0.000 0.972 67 D CA 1.270 55.328 54.000 0.096 0.000 0.835 67 D CB -0.155 40.775 40.800 0.216 0.000 0.966 67 D HN 0.225 nan 8.370 nan 0.000 0.476 68 A N 0.619 123.125 122.820 -0.524 0.000 1.972 68 A HA -0.161 4.162 4.320 0.006 0.000 0.219 68 A C 2.317 179.737 177.584 -0.274 0.000 1.169 68 A CA 1.932 53.174 52.037 -1.326 0.000 0.635 68 A CB -0.545 17.675 19.000 -1.300 0.000 0.810 68 A HN 0.223 nan 8.150 nan 0.000 0.446 69 S N -0.556 115.137 115.700 -0.013 0.000 2.343 69 S HA -0.233 4.240 4.470 0.006 0.000 0.219 69 S C 2.136 176.780 174.600 0.074 0.000 1.033 69 S CA 1.646 59.907 58.200 0.101 0.000 1.014 69 S CB -0.455 62.819 63.200 0.123 0.000 0.915 69 S HN 0.666 nan 8.310 nan 0.000 0.435 70 Q N -1.197 118.652 119.800 0.083 0.000 2.234 70 Q HA -0.172 4.171 4.340 0.006 0.000 0.206 70 Q C 1.766 177.845 176.000 0.131 0.000 0.980 70 Q CA 1.564 57.422 55.803 0.091 0.000 0.869 70 Q CB -0.257 28.542 28.738 0.101 0.000 0.912 70 Q HN 0.822 nan 8.270 nan 0.000 0.436 71 W N 0.950 122.264 121.300 0.023 0.000 2.467 71 W HA -0.035 4.629 4.660 0.006 0.000 0.275 71 W C 1.452 177.995 176.519 0.041 0.000 1.239 71 W CA 0.766 58.163 57.345 0.086 0.000 1.266 71 W CB 0.031 29.645 29.460 0.257 0.000 1.112 71 W HN 0.000 nan 8.180 nan 0.000 0.576 72 I N 0.469 121.047 120.570 0.013 0.000 2.353 72 I HA -0.266 3.907 4.170 0.006 0.000 0.248 72 I C 2.539 178.543 176.117 -0.189 0.000 1.119 72 I CA 1.382 62.604 61.300 -0.130 0.000 1.417 72 I CB -0.616 37.374 38.000 -0.017 0.000 1.078 72 I HN -0.095 nan 8.210 nan 0.000 0.421 73 K N 1.209 121.542 120.400 -0.112 0.000 2.062 73 K HA -0.126 4.198 4.320 0.006 0.000 0.205 73 K C 2.354 178.869 176.600 -0.140 0.000 1.051 73 K CA 1.049 57.276 56.287 -0.100 0.000 0.941 73 K CB 0.047 32.518 32.500 -0.048 0.000 0.719 73 K HN 0.166 nan 8.250 nan 0.000 0.440 74 R N -0.014 120.388 120.500 -0.162 0.000 2.080 74 R HA -0.094 4.250 4.340 0.006 0.000 0.236 74 R C 2.393 178.535 176.300 -0.263 0.000 1.137 74 R CA 1.678 57.673 56.100 -0.174 0.000 0.943 74 R CB -0.207 30.012 30.300 -0.135 0.000 0.846 74 R HN 0.242 nan 8.270 nan 0.000 0.431 75 M N 0.312 119.627 119.600 -0.476 0.000 2.202 75 M HA -0.181 4.302 4.480 0.006 0.000 0.262 75 M C 2.026 178.167 176.300 -0.265 0.000 1.063 75 M CA 1.482 56.502 55.300 -0.467 0.000 1.097 75 M CB -0.777 31.365 32.600 -0.763 0.000 1.382 75 M HN 0.237 nan 8.290 nan 0.000 0.413 76 E N 0.235 120.299 120.200 -0.227 0.000 2.106 76 E HA -0.189 4.165 4.350 0.006 0.000 0.192 76 E C 1.061 177.594 176.600 -0.111 0.000 0.984 76 E CA 1.017 57.330 56.400 -0.146 0.000 0.806 76 E CB 0.180 29.807 29.700 -0.122 0.000 0.750 76 E HN 0.404 nan 8.360 nan 0.000 0.458 77 D N -0.003 120.331 120.400 -0.110 0.000 2.347 77 D HA -0.025 4.619 4.640 0.006 0.000 0.215 77 D C 1.677 177.934 176.300 -0.072 0.000 0.976 77 D CA 0.551 54.504 54.000 -0.078 0.000 0.884 77 D CB 0.298 41.058 40.800 -0.066 0.000 0.915 77 D HN 0.363 nan 8.370 nan 0.000 0.526 78 I N -0.669 119.847 120.570 -0.090 0.000 3.081 78 I HA 0.081 4.254 4.170 0.006 0.000 0.274 78 I C 1.326 177.405 176.117 -0.063 0.000 1.178 78 I CA 0.510 61.768 61.300 -0.071 0.000 1.460 78 I CB 0.499 38.451 38.000 -0.080 0.000 1.137 78 I HN 0.021 nan 8.210 nan 0.000 0.443 79 G N 1.958 110.712 108.800 -0.077 0.000 2.145 79 G HA2 -0.163 3.801 3.960 0.006 0.000 0.176 79 G HA3 -0.163 3.801 3.960 0.006 0.000 0.176 79 G C -0.217 174.651 174.900 -0.052 0.000 1.013 79 G CA -0.466 44.597 45.100 -0.062 0.000 0.689 79 G HN 0.178 nan 8.290 nan 0.000 0.506 80 L N -0.024 121.158 121.223 -0.068 0.000 2.354 80 L HA 0.596 4.939 4.340 0.006 0.000 0.269 80 L C 0.608 177.448 176.870 -0.050 0.000 1.005 80 L CA -1.056 53.764 54.840 -0.035 0.000 0.819 80 L CB 1.960 44.008 42.059 -0.020 0.000 1.311 80 L HN 0.271 nan 8.230 nan 0.000 0.423 81 E N 1.534 121.746 120.200 0.019 0.000 2.384 81 E HA 0.321 4.674 4.350 0.006 0.000 0.266 81 E C -0.700 175.893 176.600 -0.011 0.000 1.012 81 E CA -0.362 56.045 56.400 0.012 0.000 0.901 81 E CB 1.146 30.895 29.700 0.083 0.000 0.967 81 E HN 0.631 nan 8.360 nan 0.000 0.435 82 A N 5.930 128.728 122.820 -0.038 0.000 2.394 82 A HA 0.339 4.663 4.320 0.006 0.000 0.333 82 A C -0.764 176.894 177.584 0.124 0.000 1.397 82 A CA -0.660 51.394 52.037 0.028 0.000 0.884 82 A CB 0.064 18.984 19.000 -0.134 0.000 1.147 82 A HN 0.511 nan 8.150 nan 0.000 0.505 83 L N 1.635 122.955 121.223 0.162 0.000 2.475 83 L HA 0.745 5.088 4.340 0.006 0.000 0.253 83 L C 1.166 178.159 176.870 0.205 0.000 1.198 83 L CA 1.366 56.275 54.840 0.116 0.000 0.814 83 L CB 0.204 42.276 42.059 0.022 0.000 1.134 83 L HN 1.187 nan 8.230 nan 0.000 0.478 84 G N 0.726 109.575 108.800 0.081 0.000 2.612 84 G HA2 -0.031 3.933 3.960 0.006 0.000 0.686 84 G HA3 -0.031 3.933 3.960 0.006 0.000 0.686 84 G C -0.805 174.068 174.900 -0.045 0.000 1.274 84 G CA -0.573 44.580 45.100 0.087 0.000 0.849 84 G HN 0.627 nan 8.290 nan 0.000 0.595 85 M N 2.174 121.662 119.600 -0.186 0.000 2.435 85 M HA 0.277 4.761 4.480 0.006 0.000 0.338 85 M C 1.543 177.734 176.300 -0.182 0.000 1.628 85 M CA -0.238 54.821 55.300 -0.402 0.000 1.215 85 M CB 0.118 32.156 32.600 -0.937 0.000 1.905 85 M HN 0.616 nan 8.290 nan 0.000 0.457 86 D N 1.895 122.158 120.400 -0.229 0.000 2.323 86 D HA -0.066 4.577 4.640 0.006 0.000 0.209 86 D C -0.213 175.690 176.300 -0.661 0.000 0.973 86 D CA 0.363 54.157 54.000 -0.344 0.000 0.874 86 D CB -0.282 40.376 40.800 -0.236 0.000 0.930 86 D HN 0.577 nan 8.370 nan 0.000 0.521 87 D N -0.085 120.058 120.400 -0.427 0.000 2.380 87 D HA 0.015 4.658 4.640 0.006 0.000 0.230 87 D C 0.394 176.552 176.300 -0.236 0.000 1.154 87 D CA -0.572 53.204 54.000 -0.372 0.000 0.859 87 D CB 0.361 41.053 40.800 -0.180 0.000 1.045 87 D HN -0.160 nan 8.370 nan 0.000 0.495 88 F N 3.058 123.033 119.950 0.041 0.000 2.216 88 F HA -0.063 4.468 4.527 0.006 0.000 0.300 88 F C 2.306 178.152 175.800 0.076 0.000 1.085 88 F CA 0.589 58.664 58.000 0.126 0.000 1.326 88 F CB -0.457 38.658 39.000 0.193 0.000 1.027 88 F HN 0.316 nan 8.300 nan 0.000 0.497 89 K N 0.537 121.028 120.400 0.153 0.000 2.034 89 K HA -0.203 4.121 4.320 0.006 0.000 0.214 89 K C 2.085 178.732 176.600 0.077 0.000 1.051 89 K CA 1.683 58.000 56.287 0.051 0.000 0.931 89 K CB -0.609 31.877 32.500 -0.022 0.000 0.715 89 K HN 0.263 nan 8.250 nan 0.000 0.446 90 L N 0.177 121.454 121.223 0.090 0.000 2.046 90 L HA -0.200 4.143 4.340 0.006 0.000 0.208 90 L C 2.616 179.670 176.870 0.306 0.000 1.077 90 L CA 1.173 56.113 54.840 0.166 0.000 0.747 90 L CB -0.703 41.471 42.059 0.190 0.000 0.896 90 L HN 0.260 nan 8.230 nan 0.000 0.432 91 A N -0.317 122.699 122.820 0.327 0.000 1.883 91 A HA -0.321 4.002 4.320 0.006 0.000 0.217 91 A C 2.219 179.905 177.584 0.171 0.000 1.186 91 A CA 1.946 54.246 52.037 0.438 0.000 0.624 91 A CB -1.093 18.213 19.000 0.510 0.000 0.822 91 A HN 0.484 nan 8.150 nan 0.000 0.444 92 Y N 0.560 120.700 120.300 -0.268 0.000 2.114 92 Y HA -0.248 4.305 4.550 0.006 0.000 0.282 92 Y C 2.022 177.787 175.900 -0.226 0.000 1.165 92 Y CA 2.124 59.852 58.100 -0.620 0.000 1.148 92 Y CB -0.345 37.724 38.460 -0.652 0.000 0.972 92 Y HN 0.242 nan 8.280 nan 0.000 0.504 93 L N -1.107 120.156 121.223 0.066 0.000 1.994 93 L HA -0.240 4.104 4.340 0.006 0.000 0.208 93 L C 2.813 179.703 176.870 0.034 0.000 1.071 93 L CA 1.700 56.588 54.840 0.080 0.000 0.745 93 L CB -1.095 40.936 42.059 -0.047 0.000 0.892 93 L HN 0.220 nan 8.230 nan 0.000 0.431 94 S N -0.449 115.272 115.700 0.034 0.000 2.402 94 S HA -0.231 4.242 4.470 0.006 0.000 0.233 94 S C 1.561 176.130 174.600 -0.053 0.000 1.030 94 S CA 1.890 60.067 58.200 -0.038 0.000 1.003 94 S CB -0.235 62.892 63.200 -0.122 0.000 0.813 94 S HN 0.385 nan 8.310 nan 0.000 0.477 95 D N 0.318 120.679 120.400 -0.066 0.000 2.106 95 D HA 0.018 4.661 4.640 0.006 0.000 0.203 95 D C 2.195 178.352 176.300 -0.239 0.000 0.977 95 D CA 1.633 55.576 54.000 -0.096 0.000 0.844 95 D CB -0.955 39.812 40.800 -0.056 0.000 1.002 95 D HN 0.376 nan 8.370 nan 0.000 0.461 96 T N -0.440 113.822 114.554 -0.487 0.000 2.833 96 T HA -0.162 4.192 4.350 0.006 0.000 0.269 96 T C 0.414 174.646 174.700 -0.782 0.000 1.054 96 T CA 0.983 62.660 62.100 -0.705 0.000 1.135 96 T CB -0.229 68.021 68.868 -1.031 0.000 0.869 96 T HN 0.193 nan 8.240 nan 0.000 0.466 97 Y N 0.890 121.082 120.300 -0.181 0.000 2.726 97 Y HA 0.405 4.959 4.550 0.006 0.000 0.367 97 Y C 1.009 176.663 175.900 -0.410 0.000 1.038 97 Y CA -1.110 56.776 58.100 -0.356 0.000 1.174 97 Y CB -0.883 37.369 38.460 -0.347 0.000 1.265 97 Y HN 0.132 nan 8.280 nan 0.000 0.622 98 N N 2.392 121.065 118.700 -0.045 0.000 3.117 98 N HA 0.311 5.054 4.740 0.006 0.000 0.323 98 N C -0.626 175.032 175.510 0.247 0.000 1.245 98 N CA 0.508 53.603 53.050 0.074 0.000 1.191 98 N CB -1.053 37.499 38.487 0.108 0.000 1.451 98 N HN 0.624 nan 8.380 nan 0.000 0.555 99 Y N -3.784 116.564 120.300 0.079 0.000 2.851 99 Y HA 0.433 4.986 4.550 0.006 0.000 0.359 99 Y C -0.640 175.301 175.900 0.069 0.000 1.231 99 Y CA -1.511 56.628 58.100 0.066 0.000 1.106 99 Y CB 0.582 39.088 38.460 0.077 0.000 1.409 99 Y HN 0.116 nan 8.280 nan 0.000 0.454 100 E N 1.664 122.014 120.200 0.251 0.000 2.344 100 E HA 0.356 4.710 4.350 0.006 0.000 0.270 100 E C -0.970 175.761 176.600 0.219 0.000 1.021 100 E CA -0.338 56.144 56.400 0.137 0.000 0.887 100 E CB 0.532 30.305 29.700 0.121 0.000 0.997 100 E HN 0.562 nan 8.360 nan 0.000 0.429 101 I N 5.370 125.997 120.570 0.093 0.000 2.337 101 I HA 0.115 4.288 4.170 0.006 0.000 0.291 101 I C 0.134 176.299 176.117 0.081 0.000 1.046 101 I CA -0.081 61.269 61.300 0.084 0.000 1.324 101 I CB 0.723 38.699 38.000 -0.039 0.000 1.409 101 I HN 0.339 nan 8.210 nan 0.000 0.494 102 K N 7.547 127.988 120.400 0.068 0.000 2.367 102 K HA 0.331 4.654 4.320 0.006 0.000 0.263 102 K C -1.116 175.346 176.600 -0.230 0.000 1.000 102 K CA -0.632 55.635 56.287 -0.034 0.000 0.891 102 K CB 1.318 33.811 32.500 -0.012 0.000 1.117 102 K HN 0.403 nan 8.250 nan 0.000 0.443 103 Y N -0.697 119.221 120.300 -0.635 0.000 2.457 103 Y HA 0.449 5.002 4.550 0.006 0.000 0.333 103 Y C -0.358 175.081 175.900 -0.768 0.000 1.119 103 Y CA -1.686 55.663 58.100 -1.251 0.000 1.143 103 Y CB 0.946 38.331 38.460 -1.791 0.000 1.230 103 Y HN 0.325 nan 8.280 nan 0.000 0.469 104 D N 2.236 122.157 120.400 -0.798 0.000 2.443 104 D HA 0.048 4.691 4.640 0.006 0.000 0.221 104 D C 1.054 177.279 176.300 -0.124 0.000 1.097 104 D CA -0.182 53.625 54.000 -0.321 0.000 0.865 104 D CB 0.109 40.864 40.800 -0.074 0.000 1.034 104 D HN 0.916 nan 8.370 nan 0.000 0.511 105 H N 1.954 120.937 119.070 -0.145 0.000 2.489 105 H HA -0.125 4.434 4.556 0.006 0.000 0.293 105 H C 1.142 176.535 175.328 0.107 0.000 1.066 105 H CA 1.626 57.731 56.048 0.095 0.000 1.305 105 H CB -0.411 29.412 29.762 0.102 0.000 1.386 105 H HN 0.368 nan 8.280 nan 0.000 0.551 106 T N -1.516 112.697 114.554 -0.569 0.000 3.113 106 T HA 0.016 4.370 4.350 0.006 0.000 0.263 106 T C 1.476 176.127 174.700 -0.082 0.000 1.143 106 T CA 0.307 62.186 62.100 -0.370 0.000 1.090 106 T CB -0.002 68.659 68.868 -0.344 0.000 0.922 106 T HN 0.147 nan 8.240 nan 0.000 0.521 107 K N 0.604 121.023 120.400 0.032 0.000 2.352 107 K HA 0.366 4.689 4.320 0.006 0.000 0.194 107 K C 0.662 177.352 176.600 0.151 0.000 1.038 107 K CA 0.008 56.366 56.287 0.119 0.000 1.023 107 K CB 0.294 32.944 32.500 0.250 0.000 0.840 107 K HN 0.505 nan 8.250 nan 0.000 0.519 108 I N 2.499 123.193 120.570 0.207 0.000 2.379 108 I HA 0.137 4.310 4.170 0.006 0.000 0.290 108 I C 0.621 176.806 176.117 0.113 0.000 1.063 108 I CA -0.460 60.963 61.300 0.206 0.000 1.351 108 I CB 0.549 38.730 38.000 0.302 0.000 1.410 108 I HN -0.148 nan 8.210 nan 0.000 0.505 109 R N 6.338 126.866 120.500 0.047 0.000 2.291 109 R HA 0.308 4.652 4.340 0.006 0.000 0.333 109 R C -1.160 175.143 176.300 0.005 0.000 1.082 109 R CA -0.263 55.831 56.100 -0.010 0.000 0.948 109 R CB 0.361 30.607 30.300 -0.090 0.000 1.009 109 R HN 0.478 nan 8.270 nan 0.000 0.460 110 V N 4.410 124.353 119.914 0.048 0.000 2.350 110 V HA 0.465 4.588 4.120 0.006 0.000 0.276 110 V C 0.153 176.286 176.094 0.065 0.000 1.028 110 V CA -0.656 61.695 62.300 0.086 0.000 0.860 110 V CB 1.207 33.130 31.823 0.168 0.000 0.990 110 V HN 0.852 nan 8.190 nan 0.000 0.453 111 A N 4.636 127.471 122.820 0.026 0.000 2.330 111 A HA 0.827 5.151 4.320 0.006 0.000 0.327 111 A C -0.387 177.237 177.584 0.067 0.000 1.155 111 A CA -0.684 51.341 52.037 -0.020 0.000 0.803 111 A CB 0.791 19.681 19.000 -0.184 0.000 1.208 111 A HN 0.793 nan 8.150 nan 0.000 0.477 112 N N 0.753 119.529 118.700 0.128 0.000 2.399 112 N HA 0.707 5.450 4.740 0.006 0.000 0.280 112 N C -0.942 174.755 175.510 0.313 0.000 1.008 112 N CA -0.228 52.976 53.050 0.257 0.000 0.894 112 N CB 1.445 40.083 38.487 0.251 0.000 1.273 112 N HN 0.648 nan 8.380 nan 0.000 0.486 113 F N -0.796 119.197 119.950 0.072 0.000 2.664 113 F HA 0.787 5.317 4.527 0.006 0.000 0.317 113 F C -1.305 174.617 175.800 0.204 0.000 1.108 113 F CA -1.020 57.068 58.000 0.147 0.000 0.957 113 F CB 2.092 41.186 39.000 0.157 0.000 1.365 113 F HN 0.199 nan 8.300 nan 0.000 0.475 114 D N 1.380 121.831 120.400 0.085 0.000 2.736 114 D HA 0.607 5.251 4.640 0.006 0.000 0.223 114 D C -1.439 174.894 176.300 0.055 0.000 1.231 114 D CA -0.444 53.530 54.000 -0.043 0.000 0.818 114 D CB 2.708 43.548 40.800 0.067 0.000 1.587 114 D HN 0.877 nan 8.370 nan 0.000 0.463 115 I N -1.224 119.376 120.570 0.049 0.000 2.934 115 I HA 0.835 5.009 4.170 0.006 0.000 0.306 115 I C -1.004 175.171 176.117 0.097 0.000 1.110 115 I CA -0.876 60.474 61.300 0.085 0.000 1.019 115 I CB 2.314 40.352 38.000 0.064 0.000 1.227 115 I HN 0.119 nan 8.210 nan 0.000 0.434 116 E N 2.672 122.906 120.200 0.057 0.000 2.212 116 E HA 0.721 5.074 4.350 0.006 0.000 0.268 116 E C -1.566 175.098 176.600 0.107 0.000 0.902 116 E CA -0.642 55.785 56.400 0.044 0.000 0.779 116 E CB 2.462 32.082 29.700 -0.133 0.000 1.172 116 E HN 0.528 nan 8.360 nan 0.000 0.409 117 V N 3.404 123.376 119.914 0.097 0.000 2.462 117 V HA 0.293 4.416 4.120 0.006 0.000 0.288 117 V C -0.309 175.817 176.094 0.054 0.000 1.020 117 V CA -0.806 61.514 62.300 0.034 0.000 0.857 117 V CB 1.832 33.530 31.823 -0.208 0.000 1.013 117 V HN 0.732 nan 8.190 nan 0.000 0.431 118 T N 3.035 117.639 114.554 0.083 0.000 2.900 118 T HA 0.389 4.742 4.350 0.006 0.000 0.307 118 T C 0.231 174.752 174.700 -0.298 0.000 1.065 118 T CA 0.116 62.175 62.100 -0.069 0.000 1.105 118 T CB 1.075 69.884 68.868 -0.098 0.000 0.979 118 T HN 0.788 nan 8.240 nan 0.000 0.544 119 S N 2.040 117.464 115.700 -0.459 0.000 2.616 119 S HA 0.362 4.836 4.470 0.006 0.000 0.276 119 S C -2.043 172.226 174.600 -0.551 0.000 1.159 119 S CA -1.152 56.606 58.200 -0.737 0.000 1.000 119 S CB 1.516 64.396 63.200 -0.534 0.000 1.117 119 S HN 0.452 nan 8.310 nan 0.000 0.464 120 P HA -0.011 nan 4.420 nan 0.000 0.216 120 P C 0.638 177.860 177.300 -0.131 0.000 1.153 120 P CA 0.980 63.898 63.100 -0.303 0.000 0.844 120 P CB 0.056 31.617 31.700 -0.231 0.000 0.787 121 D N 0.334 120.688 120.400 -0.077 0.000 2.084 121 D HA -0.012 4.632 4.640 0.006 0.000 0.231 121 D C 1.564 177.889 176.300 0.042 0.000 1.023 121 D CA 1.841 55.869 54.000 0.047 0.000 0.934 121 D CB -0.755 40.149 40.800 0.174 0.000 1.205 121 D HN 0.283 nan 8.370 nan 0.000 0.485 122 G N -1.010 107.838 108.800 0.080 0.000 2.793 122 G HA2 0.299 4.262 3.960 0.006 0.000 0.248 122 G HA3 0.299 4.262 3.960 0.006 0.000 0.248 122 G C -1.434 173.563 174.900 0.162 0.000 1.198 122 G CA -0.740 44.431 45.100 0.119 0.000 0.865 122 G HN 0.183 nan 8.290 nan 0.000 0.534 123 F N 4.234 124.242 119.950 0.097 0.000 2.571 123 F HA 0.361 4.891 4.527 0.006 0.000 0.390 123 F C -1.393 174.538 175.800 0.219 0.000 1.043 123 F CA -2.082 55.991 58.000 0.121 0.000 1.164 123 F CB 0.601 39.663 39.000 0.104 0.000 1.049 123 F HN 0.032 nan 8.300 nan 0.000 0.552 124 P HA -0.016 nan 4.420 nan 0.000 0.271 124 P C -0.725 176.514 177.300 -0.101 0.000 1.380 124 P CA -0.069 63.030 63.100 -0.001 0.000 0.992 124 P CB 0.317 32.169 31.700 0.254 0.000 1.230 125 E N 5.667 125.891 120.200 0.039 0.000 2.585 125 E HA -0.050 4.304 4.350 0.006 0.000 0.252 125 E C -1.179 175.476 176.600 0.092 0.000 0.981 125 E CA -1.224 55.261 56.400 0.142 0.000 0.943 125 E CB 0.284 30.082 29.700 0.163 0.000 0.923 125 E HN 0.442 nan 8.360 nan 0.000 0.486 126 P HA -0.121 nan 4.420 nan 0.000 0.230 126 P C 1.054 178.269 177.300 -0.142 0.000 1.158 126 P CA 0.815 63.866 63.100 -0.081 0.000 0.769 126 P CB 0.326 32.049 31.700 0.039 0.000 0.807 127 S N -1.480 114.204 115.700 -0.028 0.000 2.428 127 S HA -0.113 4.361 4.470 0.006 0.000 0.230 127 S C 2.031 176.586 174.600 -0.075 0.000 1.014 127 S CA 0.756 58.941 58.200 -0.025 0.000 0.957 127 S CB -0.565 62.649 63.200 0.024 0.000 0.784 127 S HN 0.043 nan 8.310 nan 0.000 0.499 128 Q N 1.239 120.976 119.800 -0.105 0.000 2.141 128 Q HA 0.576 4.919 4.340 0.006 0.000 0.194 128 Q C 1.226 177.075 176.000 -0.252 0.000 0.975 128 Q CA 1.278 57.002 55.803 -0.131 0.000 0.834 128 Q CB -0.560 28.127 28.738 -0.086 0.000 0.916 128 Q HN 0.782 nan 8.270 nan 0.000 0.484 129 A N 0.821 123.393 122.820 -0.413 0.000 2.869 129 A HA -0.272 4.051 4.320 0.006 0.000 0.280 129 A C 0.966 178.374 177.584 -0.293 0.000 1.458 129 A CA 1.294 52.870 52.037 -0.770 0.000 0.776 129 A CB -2.191 16.308 19.000 -0.835 0.000 1.028 129 A HN 0.492 nan 8.150 nan 0.000 0.547 130 K N -0.619 119.650 120.400 -0.217 0.000 2.432 130 K HA 0.019 4.343 4.320 0.006 0.000 0.196 130 K C 0.420 176.890 176.600 -0.216 0.000 1.038 130 K CA 0.757 56.897 56.287 -0.246 0.000 0.986 130 K CB 0.111 32.407 32.500 -0.340 0.000 0.782 130 K HN 0.749 nan 8.250 nan 0.000 0.485 131 H N 1.627 120.852 119.070 0.259 0.000 2.533 131 H HA 0.321 4.880 4.556 0.006 0.000 0.343 131 H C -2.498 173.022 175.328 0.321 0.000 1.160 131 H CA -2.771 53.469 56.048 0.321 0.000 1.218 131 H CB 1.323 31.278 29.762 0.321 0.000 1.566 131 H HN 0.012 nan 8.280 nan 0.000 0.522 132 P HA 0.124 nan 4.420 nan 0.000 0.271 132 P C 0.137 177.585 177.300 0.247 0.000 1.216 132 P CA -0.097 63.161 63.100 0.264 0.000 0.776 132 P CB 1.085 32.890 31.700 0.175 0.000 0.881 133 I N 3.338 124.027 120.570 0.199 0.000 2.329 133 I HA -0.012 4.161 4.170 0.006 0.000 0.295 133 I C 1.016 177.209 176.117 0.127 0.000 1.109 133 I CA 0.186 61.558 61.300 0.120 0.000 1.297 133 I CB 0.113 38.165 38.000 0.087 0.000 1.433 133 I HN 0.379 nan 8.210 nan 0.000 0.509 134 D N 4.571 125.074 120.400 0.172 0.000 2.339 134 D HA 0.320 4.963 4.640 0.006 0.000 0.217 134 D C 0.151 176.617 176.300 0.277 0.000 1.050 134 D CA -0.133 54.004 54.000 0.228 0.000 0.856 134 D CB 0.592 41.549 40.800 0.262 0.000 0.922 134 D HN 0.395 nan 8.370 nan 0.000 0.518 135 A N 0.191 123.133 122.820 0.203 0.000 2.573 135 A HA 0.571 4.895 4.320 0.006 0.000 0.299 135 A C -1.716 175.941 177.584 0.122 0.000 1.060 135 A CA -0.811 51.342 52.037 0.193 0.000 0.736 135 A CB 0.729 19.847 19.000 0.196 0.000 1.280 135 A HN 0.158 nan 8.150 nan 0.000 0.401 136 I N 1.791 122.461 120.570 0.168 0.000 2.512 136 I HA 0.421 4.594 4.170 0.006 0.000 0.287 136 I C -0.532 175.808 176.117 0.373 0.000 1.069 136 I CA -0.379 61.023 61.300 0.170 0.000 1.056 136 I CB 2.654 40.568 38.000 -0.144 0.000 1.229 136 I HN 0.572 nan 8.210 nan 0.000 0.429 137 T N 3.787 118.567 114.554 0.376 0.000 2.770 137 T HA 0.364 4.717 4.350 0.006 0.000 0.283 137 T C -0.971 174.095 174.700 0.610 0.000 0.988 137 T CA -0.403 61.972 62.100 0.458 0.000 0.957 137 T CB 0.725 69.793 68.868 0.335 0.000 0.930 137 T HN 0.492 nan 8.240 nan 0.000 0.443 138 H N 2.163 121.595 119.070 0.603 0.000 2.658 138 H HA 0.486 5.045 4.556 0.006 0.000 0.337 138 H C -1.609 174.066 175.328 0.579 0.000 1.009 138 H CA -0.833 55.603 56.048 0.646 0.000 1.231 138 H CB 0.808 31.044 29.762 0.790 0.000 1.508 138 H HN 0.682 nan 8.280 nan 0.000 0.517 139 Y N 4.935 125.423 120.300 0.314 0.000 2.341 139 Y HA 0.249 4.802 4.550 0.006 0.000 0.337 139 Y C -1.000 175.032 175.900 0.220 0.000 1.014 139 Y CA -0.761 57.384 58.100 0.076 0.000 1.111 139 Y CB 1.121 39.276 38.460 -0.510 0.000 1.194 139 Y HN 0.631 nan 8.280 nan 0.000 0.462 140 D N 3.829 123.978 120.400 -0.419 0.000 2.303 140 D HA 0.087 4.730 4.640 0.006 0.000 0.236 140 D C 0.580 176.472 176.300 -0.680 0.000 1.068 140 D CA 0.045 53.865 54.000 -0.301 0.000 0.830 140 D CB 1.871 42.698 40.800 0.045 0.000 1.109 140 D HN 0.785 nan 8.370 nan 0.000 0.496 141 S N 3.434 118.917 115.700 -0.361 0.000 2.447 141 S HA -0.110 4.363 4.470 0.006 0.000 0.233 141 S C 1.894 176.464 174.600 -0.050 0.000 1.006 141 S CA 0.467 58.596 58.200 -0.118 0.000 0.957 141 S CB -0.157 63.115 63.200 0.120 0.000 0.773 141 S HN 0.645 nan 8.310 nan 0.000 0.507 142 I N 1.241 121.772 120.570 -0.066 0.000 2.703 142 I HA 0.007 4.180 4.170 0.006 0.000 0.259 142 I C 1.648 177.759 176.117 -0.010 0.000 1.151 142 I CA 0.792 62.076 61.300 -0.025 0.000 1.470 142 I CB -0.161 37.822 38.000 -0.030 0.000 1.112 142 I HN 0.187 nan 8.210 nan 0.000 0.437 143 D N 0.261 120.652 120.400 -0.015 0.000 2.249 143 D HA -0.111 4.532 4.640 0.006 0.000 0.205 143 D C 0.498 176.814 176.300 0.027 0.000 0.962 143 D CA 0.904 54.935 54.000 0.052 0.000 0.860 143 D CB -0.149 40.769 40.800 0.197 0.000 0.955 143 D HN 0.163 nan 8.370 nan 0.000 0.505 144 D N 0.079 120.433 120.400 -0.077 0.000 2.716 144 D HA -0.165 4.478 4.640 0.006 0.000 0.239 144 D C -0.907 175.473 176.300 0.132 0.000 1.125 144 D CA 0.520 54.544 54.000 0.042 0.000 0.681 144 D CB -0.371 40.526 40.800 0.161 0.000 1.070 144 D HN 0.012 nan 8.370 nan 0.000 0.432 145 R N 0.176 120.650 120.500 -0.043 0.000 2.725 145 R HA 0.501 4.845 4.340 0.006 0.000 0.277 145 R C -0.683 175.662 176.300 0.074 0.000 0.987 145 R CA -0.666 55.455 56.100 0.036 0.000 0.901 145 R CB 0.651 30.788 30.300 -0.272 0.000 1.207 145 R HN 0.006 nan 8.270 nan 0.000 0.463 146 F N 2.086 122.083 119.950 0.078 0.000 2.371 146 F HA 0.341 4.871 4.527 0.005 0.000 0.363 146 F C 0.087 175.894 175.800 0.013 0.000 1.122 146 F CA -0.566 57.567 58.000 0.222 0.000 1.129 146 F CB 0.570 39.682 39.000 0.188 0.000 1.173 146 F HN 0.278 nan 8.300 nan 0.000 0.489 147 Y N 2.944 123.459 120.300 0.358 0.000 2.535 147 Y HA 0.425 4.978 4.550 0.006 0.000 0.349 147 Y C -0.044 175.947 175.900 0.152 0.000 0.992 147 Y CA -0.858 57.312 58.100 0.116 0.000 1.248 147 Y CB 0.537 38.926 38.460 -0.120 0.000 1.124 147 Y HN 0.197 nan 8.280 nan 0.000 0.520 148 V N 5.113 125.088 119.914 0.102 0.000 2.432 148 V HA 0.255 4.378 4.120 0.006 0.000 0.275 148 V C -0.457 175.589 176.094 -0.079 0.000 1.043 148 V CA -0.820 61.556 62.300 0.125 0.000 0.925 148 V CB 0.202 32.061 31.823 0.061 0.000 0.985 148 V HN 0.386 nan 8.190 nan 0.000 0.466 149 F N 2.937 122.975 119.950 0.146 0.000 2.402 149 F HA 0.525 5.055 4.527 0.006 0.000 0.355 149 F C 0.145 176.060 175.800 0.191 0.000 1.123 149 F CA -0.776 57.351 58.000 0.211 0.000 1.021 149 F CB 1.342 40.395 39.000 0.088 0.000 1.160 149 F HN 0.420 nan 8.300 nan 0.000 0.451 150 D N 3.250 123.857 120.400 0.346 0.000 2.362 150 D HA 0.352 4.995 4.640 0.006 0.000 0.247 150 D C -1.446 175.073 176.300 0.365 0.000 1.050 150 D CA -0.529 53.674 54.000 0.338 0.000 0.839 150 D CB 2.069 43.069 40.800 0.333 0.000 1.283 150 D HN 0.420 nan 8.370 nan 0.000 0.477 151 L N 4.955 126.369 121.223 0.318 0.000 2.262 151 L HA 0.328 4.671 4.340 0.006 0.000 0.288 151 L C 0.427 177.384 176.870 0.146 0.000 1.035 151 L CA -0.199 54.783 54.840 0.237 0.000 0.820 151 L CB 0.839 43.011 42.059 0.189 0.000 1.204 151 L HN 0.547 nan 8.230 nan 0.000 0.424 152 L N 3.503 124.787 121.223 0.101 0.000 2.209 152 L HA 0.171 4.514 4.340 0.006 0.000 0.207 152 L C 0.245 177.103 176.870 -0.019 0.000 1.094 152 L CA 0.333 55.168 54.840 -0.008 0.000 0.790 152 L CB -0.211 41.862 42.059 0.023 0.000 0.932 152 L HN 0.612 nan 8.230 nan 0.000 0.447 153 N N 0.261 118.979 118.700 0.029 0.000 2.407 153 N HA 0.321 5.064 4.740 0.006 0.000 0.277 153 N C -0.879 174.642 175.510 0.020 0.000 0.995 153 N CA 0.100 53.160 53.050 0.016 0.000 0.903 153 N CB 2.158 40.659 38.487 0.023 0.000 1.218 153 N HN -0.073 nan 8.380 nan 0.000 0.487 154 S N 1.625 117.324 115.700 -0.002 0.000 2.618 154 S HA 0.552 5.026 4.470 0.006 0.000 0.277 154 S C -2.300 172.247 174.600 -0.088 0.000 1.138 154 S CA -1.258 56.929 58.200 -0.021 0.000 0.844 154 S CB 1.894 65.117 63.200 0.039 0.000 1.127 154 S HN 0.255 nan 8.310 nan 0.000 0.474 155 P HA 0.106 nan 4.420 nan 0.000 0.242 155 P C -0.087 177.024 177.300 -0.316 0.000 1.197 155 P CA 0.554 63.473 63.100 -0.302 0.000 0.765 155 P CB -0.220 31.226 31.700 -0.423 0.000 0.936 156 Y N 0.154 120.456 120.300 0.004 0.000 2.467 156 Y HA 0.518 5.071 4.550 0.006 0.000 0.250 156 Y C 1.450 177.329 175.900 -0.035 0.000 1.155 156 Y CA -0.113 57.978 58.100 -0.015 0.000 1.249 156 Y CB 0.358 38.803 38.460 -0.026 0.000 1.146 156 Y HN -0.009 nan 8.280 nan 0.000 0.524 157 G N 0.339 109.181 108.800 0.071 0.000 2.326 157 G HA2 0.064 4.028 3.960 0.006 0.000 0.478 157 G HA3 0.064 4.028 3.960 0.006 0.000 0.478 157 G C -1.686 173.205 174.900 -0.014 0.000 1.551 157 G CA -1.327 43.786 45.100 0.021 0.000 0.946 157 G HN 0.083 nan 8.290 nan 0.000 0.671 158 N N -0.760 117.923 118.700 -0.028 0.000 2.321 158 N HA 0.783 5.527 4.740 0.006 0.000 0.299 158 N C 0.216 175.681 175.510 -0.074 0.000 1.048 158 N CA -0.317 52.705 53.050 -0.048 0.000 0.836 158 N CB 2.670 41.142 38.487 -0.026 0.000 1.269 158 N HN 1.127 nan 8.380 nan 0.000 0.486 159 V N -1.964 117.866 119.914 -0.139 0.000 3.158 159 V HA 0.638 4.761 4.120 0.006 0.000 0.311 159 V C -0.318 175.711 176.094 -0.109 0.000 1.181 159 V CA -1.003 61.197 62.300 -0.167 0.000 1.054 159 V CB 1.722 33.303 31.823 -0.402 0.000 1.085 159 V HN 0.559 nan 8.190 nan 0.000 0.446 160 E N 0.195 120.388 120.200 -0.012 0.000 2.318 160 E HA 0.363 4.717 4.350 0.006 0.000 0.265 160 E C -0.553 176.159 176.600 0.187 0.000 1.069 160 E CA -0.625 55.817 56.400 0.070 0.000 0.893 160 E CB 1.188 30.931 29.700 0.073 0.000 1.076 160 E HN 0.739 nan 8.360 nan 0.000 0.414 161 E N 0.699 121.031 120.200 0.220 0.000 2.458 161 E HA -0.103 4.250 4.350 0.006 0.000 0.264 161 E C -0.755 176.069 176.600 0.373 0.000 1.097 161 E CA 0.265 56.905 56.400 0.400 0.000 0.973 161 E CB 0.449 30.368 29.700 0.365 0.000 0.963 161 E HN 0.380 nan 8.360 nan 0.000 0.451 162 W N 2.174 123.561 121.300 0.144 0.000 2.272 162 W HA 0.147 4.810 4.660 0.005 0.000 0.318 162 W C -0.222 176.093 176.519 -0.340 0.000 1.255 162 W CA -0.479 56.776 57.345 -0.150 0.000 1.200 162 W CB 0.993 30.295 29.460 -0.264 0.000 1.170 162 W HN 0.205 nan 8.180 nan 0.000 0.549 163 S N 7.081 122.238 115.700 -0.905 0.000 2.422 163 S HA 0.176 4.650 4.470 0.006 0.000 0.298 163 S C 0.750 174.447 174.600 -1.504 0.000 1.118 163 S CA -0.714 56.924 58.200 -0.937 0.000 1.083 163 S CB 0.487 63.391 63.200 -0.494 0.000 0.971 163 S HN 0.718 nan 8.310 nan 0.000 0.478 164 I N 4.225 123.959 120.570 -1.393 0.000 2.676 164 I HA -0.053 4.120 4.170 0.006 0.000 0.259 164 I C 1.910 177.702 176.117 -0.542 0.000 1.194 164 I CA 1.022 61.634 61.300 -1.146 0.000 1.473 164 I CB 0.015 37.662 38.000 -0.588 0.000 1.096 164 I HN 0.752 nan 8.210 nan 0.000 0.443 165 E N 0.631 120.574 120.200 -0.430 0.000 2.250 165 E HA -0.113 4.240 4.350 0.006 0.000 0.192 165 E C 2.115 178.574 176.600 -0.236 0.000 0.986 165 E CA 0.625 56.870 56.400 -0.257 0.000 0.849 165 E CB -0.196 29.389 29.700 -0.191 0.000 0.797 165 E HN 0.408 nan 8.360 nan 0.000 0.482 166 I N 2.071 122.458 120.570 -0.306 0.000 2.233 166 I HA -0.092 4.081 4.170 0.006 0.000 0.243 166 I C 2.594 178.597 176.117 -0.190 0.000 1.093 166 I CA 1.073 62.237 61.300 -0.226 0.000 1.380 166 I CB -1.394 36.461 38.000 -0.243 0.000 1.067 166 I HN 0.045 nan 8.210 nan 0.000 0.413 167 A N 1.221 123.871 122.820 -0.282 0.000 1.883 167 A HA -0.191 4.133 4.320 0.006 0.000 0.217 167 A C 2.550 180.116 177.584 -0.031 0.000 1.186 167 A CA 2.341 54.325 52.037 -0.088 0.000 0.624 167 A CB -0.893 18.114 19.000 0.012 0.000 0.822 167 A HN 0.417 nan 8.150 nan 0.000 0.444 168 A N -0.525 122.243 122.820 -0.086 0.000 1.972 168 A HA -0.029 4.295 4.320 0.006 0.000 0.219 168 A C 1.423 178.980 177.584 -0.045 0.000 1.169 168 A CA 1.019 53.023 52.037 -0.056 0.000 0.635 168 A CB -0.314 18.639 19.000 -0.079 0.000 0.810 168 A HN 0.542 nan 8.150 nan 0.000 0.446 169 K N -0.591 119.774 120.400 -0.059 0.000 2.344 169 K HA 0.209 4.533 4.320 0.006 0.000 0.260 169 K C -0.453 176.136 176.600 -0.019 0.000 0.988 169 K CA -0.372 55.889 56.287 -0.043 0.000 0.909 169 K CB 0.131 32.599 32.500 -0.053 0.000 0.968 169 K HN 0.168 nan 8.250 nan 0.000 0.505 170 L N 1.937 123.151 121.223 -0.014 0.000 2.475 170 L HA -0.043 4.301 4.340 0.006 0.000 0.253 170 L C 1.913 178.789 176.870 0.010 0.000 1.198 170 L CA 0.491 55.331 54.840 -0.000 0.000 0.814 170 L CB 0.357 42.412 42.059 -0.005 0.000 1.134 170 L HN 0.553 nan 8.230 nan 0.000 0.478 171 Q N 0.623 120.437 119.800 0.024 0.000 2.020 171 Q HA -0.202 4.142 4.340 0.006 0.000 0.202 171 Q C 1.574 177.585 176.000 0.019 0.000 0.982 171 Q CA 1.647 57.471 55.803 0.035 0.000 0.838 171 Q CB -0.093 28.673 28.738 0.047 0.000 0.899 171 Q HN 0.606 nan 8.270 nan 0.000 0.423 172 E N 0.776 120.983 120.200 0.011 0.000 2.448 172 E HA -0.186 4.167 4.350 0.006 0.000 0.203 172 E C 1.241 177.839 176.600 -0.002 0.000 1.046 172 E CA 0.822 57.224 56.400 0.004 0.000 0.871 172 E CB -0.132 29.567 29.700 -0.001 0.000 0.790 172 E HN 0.336 nan 8.360 nan 0.000 0.545 173 Q N -0.784 119.013 119.800 -0.005 0.000 2.172 173 Q HA 0.197 4.540 4.340 0.006 0.000 0.217 173 Q C 0.503 176.494 176.000 -0.015 0.000 0.832 173 Q CA 0.417 56.212 55.803 -0.012 0.000 1.010 173 Q CB 0.427 29.154 28.738 -0.018 0.000 1.133 173 Q HN 0.224 nan 8.270 nan 0.000 0.489 174 G N -0.565 108.230 108.800 -0.007 0.000 2.143 174 G HA2 -0.253 3.711 3.960 0.006 0.000 0.248 174 G HA3 -0.253 3.711 3.960 0.006 0.000 0.248 174 G C 0.243 175.133 174.900 -0.017 0.000 0.991 174 G CA 0.016 45.110 45.100 -0.010 0.000 0.689 174 G HN 0.595 nan 8.290 nan 0.000 0.522 175 G N -1.310 107.483 108.800 -0.012 0.000 2.702 175 G HA2 0.558 4.521 3.960 0.006 0.000 0.254 175 G HA3 0.558 4.521 3.960 0.006 0.000 0.254 175 G C 0.244 175.155 174.900 0.018 0.000 1.380 175 G CA 0.427 45.516 45.100 -0.018 0.000 1.042 175 G HN 0.052 nan 8.290 nan 0.000 0.557 176 D N -0.765 119.658 120.400 0.039 0.000 2.407 176 D HA 0.091 4.735 4.640 0.006 0.000 0.208 176 D C 0.300 176.682 176.300 0.136 0.000 1.083 176 D CA 0.061 54.131 54.000 0.117 0.000 0.844 176 D CB 0.609 41.503 40.800 0.158 0.000 0.967 176 D HN 0.616 nan 8.370 nan 0.000 0.506 177 E N 0.466 120.709 120.200 0.071 0.000 2.360 177 E HA -0.161 4.193 4.350 0.006 0.000 0.238 177 E C -0.580 176.054 176.600 0.057 0.000 1.186 177 E CA -0.127 56.304 56.400 0.051 0.000 0.719 177 E CB -0.937 28.794 29.700 0.051 0.000 1.236 177 E HN 0.044 nan 8.360 nan 0.000 0.386 178 V N 1.295 121.246 119.914 0.061 0.000 2.479 178 V HA 0.078 4.201 4.120 0.006 0.000 0.281 178 V C -1.697 174.388 176.094 -0.015 0.000 1.031 178 V CA -0.930 61.396 62.300 0.043 0.000 1.038 178 V CB 0.628 32.496 31.823 0.074 0.000 0.981 178 V HN 0.139 nan 8.190 nan 0.000 0.478 179 P HA -0.075 nan 4.420 nan 0.000 0.257 179 P C 1.000 178.238 177.300 -0.104 0.000 1.153 179 P CA 0.652 63.724 63.100 -0.046 0.000 0.762 179 P CB 0.404 32.097 31.700 -0.012 0.000 0.743 180 S N 3.422 119.087 115.700 -0.059 0.000 2.400 180 S HA -0.215 4.258 4.470 0.006 0.000 0.232 180 S C 1.385 175.940 174.600 -0.074 0.000 1.025 180 S CA 1.142 59.306 58.200 -0.059 0.000 0.993 180 S CB -0.683 62.496 63.200 -0.034 0.000 0.808 180 S HN 0.619 nan 8.310 nan 0.000 0.478 181 E N 2.136 122.290 120.200 -0.077 0.000 2.515 181 E HA -0.064 4.290 4.350 0.006 0.000 0.201 181 E C 1.632 178.151 176.600 -0.134 0.000 1.071 181 E CA 0.905 57.264 56.400 -0.068 0.000 0.880 181 E CB -0.570 29.123 29.700 -0.011 0.000 0.828 181 E HN 0.963 nan 8.360 nan 0.000 0.540 182 I N -4.021 116.404 120.570 -0.242 0.000 4.439 182 I HA 0.154 4.328 4.170 0.006 0.000 0.331 182 I C 1.462 177.437 176.117 -0.237 0.000 1.345 182 I CA -0.493 60.618 61.300 -0.315 0.000 1.193 182 I CB 0.135 37.674 38.000 -0.768 0.000 1.221 182 I HN -0.237 nan 8.210 nan 0.000 0.429 183 I N 2.699 123.177 120.570 -0.153 0.000 2.208 183 I HA -0.213 3.960 4.170 0.006 0.000 0.245 183 I C 1.423 177.522 176.117 -0.030 0.000 1.097 183 I CA 1.680 62.935 61.300 -0.075 0.000 1.363 183 I CB -0.960 37.008 38.000 -0.054 0.000 1.051 183 I HN 0.323 nan 8.210 nan 0.000 0.413 184 D N 0.499 120.885 120.400 -0.024 0.000 2.352 184 D HA -0.035 4.608 4.640 0.006 0.000 0.232 184 D C 1.626 177.945 176.300 0.031 0.000 1.055 184 D CA 0.496 54.499 54.000 0.006 0.000 0.891 184 D CB 0.071 40.876 40.800 0.008 0.000 0.897 184 D HN 0.398 nan 8.370 nan 0.000 0.529 185 K N -0.364 120.059 120.400 0.039 0.000 2.402 185 K HA 0.243 4.567 4.320 0.006 0.000 0.204 185 K C 0.573 177.253 176.600 0.134 0.000 1.056 185 K CA -0.139 56.220 56.287 0.120 0.000 1.069 185 K CB 1.591 34.238 32.500 0.245 0.000 0.888 185 K HN 0.062 nan 8.250 nan 0.000 0.546 186 I N 2.225 122.831 120.570 0.060 0.000 2.474 186 I HA 0.155 4.328 4.170 0.006 0.000 0.287 186 I C 0.004 176.156 176.117 0.059 0.000 1.048 186 I CA -0.223 61.119 61.300 0.069 0.000 1.383 186 I CB 0.855 38.897 38.000 0.069 0.000 1.412 186 I HN -0.073 nan 8.210 nan 0.000 0.531 187 I N 7.105 127.679 120.570 0.006 0.000 2.464 187 I HA 0.141 4.315 4.170 0.006 0.000 0.277 187 I C -0.799 175.346 176.117 0.047 0.000 1.040 187 I CA -0.669 60.621 61.300 -0.017 0.000 1.153 187 I CB 0.838 38.721 38.000 -0.196 0.000 1.274 187 I HN 0.441 nan 8.210 nan 0.000 0.469 188 Y N 7.479 127.779 120.300 0.001 0.000 2.402 188 Y HA 0.414 4.967 4.550 0.006 0.000 0.333 188 Y C -0.268 175.592 175.900 -0.067 0.000 1.076 188 Y CA -0.200 57.907 58.100 0.012 0.000 1.299 188 Y CB 0.781 39.365 38.460 0.208 0.000 1.197 188 Y HN 0.447 nan 8.280 nan 0.000 0.517 189 M N 10.045 129.271 119.600 -0.622 0.000 2.031 189 M HA 0.289 4.773 4.480 0.006 0.000 0.273 189 M C -2.702 173.072 176.300 -0.877 0.000 0.904 189 M CA -1.760 53.123 55.300 -0.695 0.000 0.963 189 M CB 1.838 34.116 32.600 -0.537 0.000 1.707 189 M HN 0.401 nan 8.290 nan 0.000 0.427 190 P HA 0.453 nan 4.420 nan 0.000 0.282 190 P C -1.308 175.626 177.300 -0.611 0.000 1.249 190 P CA -0.150 62.614 63.100 -0.559 0.000 0.806 190 P CB 0.899 32.405 31.700 -0.323 0.000 0.984 191 F N 0.224 120.161 119.950 -0.022 0.000 2.565 191 F HA 0.270 4.800 4.527 0.006 0.000 0.313 191 F C 1.391 177.213 175.800 0.037 0.000 1.091 191 F CA -0.426 57.590 58.000 0.026 0.000 0.915 191 F CB 1.613 40.656 39.000 0.070 0.000 1.208 191 F HN 0.190 nan 8.300 nan 0.000 0.453 192 D N 0.670 121.193 120.400 0.204 0.000 2.194 192 D HA -0.045 4.599 4.640 0.006 0.000 0.204 192 D C -0.047 176.328 176.300 0.125 0.000 0.964 192 D CA 1.185 55.260 54.000 0.126 0.000 0.846 192 D CB 0.082 40.933 40.800 0.085 0.000 0.962 192 D HN 0.627 nan 8.370 nan 0.000 0.490 193 N N -1.156 117.641 118.700 0.161 0.000 2.284 193 N HA 0.061 4.805 4.740 0.006 0.000 0.289 193 N C 0.237 175.820 175.510 0.121 0.000 1.179 193 N CA -0.713 52.406 53.050 0.115 0.000 0.774 193 N CB 2.036 40.573 38.487 0.084 0.000 1.548 193 N HN -0.310 nan 8.380 nan 0.000 0.473 194 E N 0.857 121.111 120.200 0.091 0.000 2.097 194 E HA -0.257 4.096 4.350 0.006 0.000 0.196 194 E C 0.844 177.507 176.600 0.105 0.000 1.000 194 E CA 1.434 57.883 56.400 0.083 0.000 0.804 194 E CB 0.086 29.836 29.700 0.083 0.000 0.740 194 E HN 0.621 nan 8.360 nan 0.000 0.454 195 K N 0.173 120.663 120.400 0.151 0.000 2.057 195 K HA -0.175 4.149 4.320 0.006 0.000 0.207 195 K C 2.143 178.921 176.600 0.298 0.000 1.049 195 K CA 1.694 58.176 56.287 0.326 0.000 0.931 195 K CB -0.057 32.527 32.500 0.140 0.000 0.714 195 K HN 0.230 nan 8.250 nan 0.000 0.440 196 E N 0.964 121.263 120.200 0.164 0.000 2.072 196 E HA -0.184 4.170 4.350 0.006 0.000 0.191 196 E C 2.115 178.643 176.600 -0.120 0.000 0.985 196 E CA 0.742 57.223 56.400 0.135 0.000 0.801 196 E CB -0.106 29.741 29.700 0.245 0.000 0.750 196 E HN 0.255 nan 8.360 nan 0.000 0.452 197 L N 1.055 122.064 121.223 -0.357 0.000 1.994 197 L HA -0.213 4.130 4.340 0.006 0.000 0.208 197 L C 2.289 178.892 176.870 -0.445 0.000 1.071 197 L CA 1.278 55.564 54.840 -0.923 0.000 0.745 197 L CB -0.152 41.577 42.059 -0.549 0.000 0.892 197 L HN 0.152 nan 8.230 nan 0.000 0.431 198 L N -0.878 120.204 121.223 -0.235 0.000 2.046 198 L HA -0.265 4.079 4.340 0.006 0.000 0.208 198 L C 2.678 179.377 176.870 -0.284 0.000 1.077 198 L CA 1.322 56.021 54.840 -0.234 0.000 0.747 198 L CB -0.564 41.362 42.059 -0.222 0.000 0.896 198 L HN 0.417 nan 8.230 nan 0.000 0.432 199 M N 0.405 119.836 119.600 -0.281 0.000 2.159 199 M HA -0.204 4.279 4.480 0.006 0.000 0.263 199 M C 2.046 178.308 176.300 -0.064 0.000 1.063 199 M CA 1.756 56.917 55.300 -0.231 0.000 1.110 199 M CB -0.411 32.182 32.600 -0.012 0.000 1.374 199 M HN 0.093 nan 8.290 nan 0.000 0.411 200 E N -1.226 118.973 120.200 -0.002 0.000 2.204 200 E HA -0.210 4.143 4.350 0.006 0.000 0.194 200 E C 1.887 178.624 176.600 0.229 0.000 0.989 200 E CA 1.224 57.719 56.400 0.158 0.000 0.824 200 E CB -0.590 29.283 29.700 0.287 0.000 0.756 200 E HN 0.634 nan 8.360 nan 0.000 0.477 201 Y N 0.407 120.653 120.300 -0.090 0.000 2.220 201 Y HA -0.047 4.507 4.550 0.006 0.000 0.291 201 Y C 1.781 177.672 175.900 -0.016 0.000 1.129 201 Y CA 1.516 59.483 58.100 -0.221 0.000 1.161 201 Y CB -0.183 37.934 38.460 -0.572 0.000 0.997 201 Y HN 0.045 nan 8.280 nan 0.000 0.522 202 L N 0.029 121.173 121.223 -0.132 0.000 2.046 202 L HA -0.273 4.070 4.340 0.006 0.000 0.208 202 L C 2.137 178.950 176.870 -0.094 0.000 1.077 202 L CA 1.464 56.178 54.840 -0.210 0.000 0.747 202 L CB -0.643 41.267 42.059 -0.248 0.000 0.896 202 L HN 0.279 nan 8.230 nan 0.000 0.432 203 N N -0.160 118.527 118.700 -0.021 0.000 2.188 203 N HA -0.210 4.534 4.740 0.006 0.000 0.184 203 N C 1.747 177.281 175.510 0.039 0.000 1.018 203 N CA 1.254 54.316 53.050 0.020 0.000 0.858 203 N CB -0.338 38.184 38.487 0.059 0.000 0.989 203 N HN 0.228 nan 8.380 nan 0.000 0.426 204 F N 1.519 121.416 119.950 -0.089 0.000 2.046 204 F HA -0.186 4.345 4.527 0.005 0.000 0.297 204 F C 2.387 178.047 175.800 -0.234 0.000 1.123 204 F CA 1.360 59.271 58.000 -0.148 0.000 1.199 204 F CB -0.632 38.307 39.000 -0.101 0.000 0.972 204 F HN 0.116 nan 8.300 nan 0.000 0.474 205 W N 1.779 122.677 121.300 -0.669 0.000 2.325 205 W HA -0.258 4.406 4.660 0.006 0.000 0.299 205 W C 2.212 178.444 176.519 -0.478 0.000 1.215 205 W CA 2.352 59.261 57.345 -0.726 0.000 1.244 205 W CB -0.754 28.341 29.460 -0.607 0.000 1.140 205 W HN 0.293 nan 8.180 nan 0.000 0.523 206 Q N -0.548 119.238 119.800 -0.023 0.000 2.079 206 Q HA -0.241 4.103 4.340 0.006 0.000 0.200 206 Q C 2.312 178.225 176.000 -0.145 0.000 0.974 206 Q CA 1.486 57.267 55.803 -0.036 0.000 0.840 206 Q CB -0.314 28.415 28.738 -0.015 0.000 0.898 206 Q HN 0.218 nan 8.270 nan 0.000 0.430 207 Q N 0.595 120.276 119.800 -0.198 0.000 2.119 207 Q HA -0.042 4.301 4.340 0.006 0.000 0.201 207 Q C 0.284 176.095 176.000 -0.314 0.000 0.972 207 Q CA 1.241 56.920 55.803 -0.207 0.000 0.847 207 Q CB 0.216 28.857 28.738 -0.161 0.000 0.903 207 Q HN 0.155 nan 8.270 nan 0.000 0.433 208 K N 1.017 121.094 120.400 -0.539 0.000 2.877 208 K HA 0.257 4.581 4.320 0.006 0.000 0.176 208 K C -1.014 175.143 176.600 -0.739 0.000 1.075 208 K CA -0.088 55.831 56.287 -0.614 0.000 0.939 208 K CB 1.213 33.246 32.500 -0.779 0.000 1.237 208 K HN -0.127 nan 8.250 nan 0.000 0.607 209 T N 4.002 118.208 114.554 -0.581 0.000 2.834 209 T HA 0.131 4.484 4.350 0.006 0.000 0.298 209 T C -2.066 172.282 174.700 -0.586 0.000 0.966 209 T CA -1.179 60.489 62.100 -0.720 0.000 1.141 209 T CB 0.335 68.977 68.868 -0.378 0.000 0.905 209 T HN 0.234 nan 8.240 nan 0.000 0.535 210 P HA 0.161 nan 4.420 nan 0.000 0.271 210 P C 0.415 177.581 177.300 -0.224 0.000 1.218 210 P CA -0.278 62.569 63.100 -0.422 0.000 0.780 210 P CB 1.080 32.491 31.700 -0.482 0.000 0.901 211 V N 2.564 122.415 119.914 -0.105 0.000 2.521 211 V HA 0.051 4.174 4.120 0.006 0.000 0.239 211 V C 1.183 177.285 176.094 0.013 0.000 1.053 211 V CA 1.117 63.406 62.300 -0.019 0.000 1.073 211 V CB -0.116 31.728 31.823 0.034 0.000 0.746 211 V HN 0.434 nan 8.190 nan 0.000 0.476 212 I N 1.878 122.464 120.570 0.026 0.000 2.354 212 I HA 0.421 4.594 4.170 0.006 0.000 0.292 212 I C -0.843 175.309 176.117 0.060 0.000 0.989 212 I CA -0.380 60.956 61.300 0.060 0.000 1.188 212 I CB 1.422 39.479 38.000 0.094 0.000 1.342 212 I HN 0.094 nan 8.210 nan 0.000 0.457 213 L N 6.715 127.996 121.223 0.096 0.000 2.349 213 L HA 0.657 5.000 4.340 0.006 0.000 0.278 213 L C -0.243 176.772 176.870 0.242 0.000 0.996 213 L CA 0.369 55.292 54.840 0.138 0.000 0.825 213 L CB 1.720 43.863 42.059 0.140 0.000 1.243 213 L HN 0.717 nan 8.230 nan 0.000 0.412 214 T N 2.577 117.309 114.554 0.296 0.000 2.804 214 T HA 0.983 5.336 4.350 0.006 0.000 0.290 214 T C -0.561 174.357 174.700 0.364 0.000 1.099 214 T CA -0.056 62.246 62.100 0.338 0.000 1.011 214 T CB 1.553 70.645 68.868 0.374 0.000 1.291 214 T HN 1.115 nan 8.240 nan 0.000 0.523 215 G N -0.135 108.861 108.800 0.327 0.000 2.343 215 G HA2 0.248 4.211 3.960 0.006 0.000 0.289 215 G HA3 0.248 4.211 3.960 0.006 0.000 0.289 215 G C -2.093 172.996 174.900 0.316 0.000 1.295 215 G CA -0.678 44.578 45.100 0.261 0.000 0.869 215 G HN 0.718 nan 8.290 nan 0.000 0.522 216 W N 1.717 123.061 121.300 0.073 0.000 2.283 216 W HA 0.463 5.126 4.660 0.006 0.000 0.317 216 W C 0.598 177.156 176.519 0.065 0.000 1.042 216 W CA 0.152 57.548 57.345 0.086 0.000 1.348 216 W CB 0.475 29.962 29.460 0.044 0.000 1.216 216 W HN 0.907 nan 8.180 nan 0.000 0.404 217 N N 2.328 120.861 118.700 -0.279 0.000 2.850 217 N HA -0.286 4.457 4.740 0.006 0.000 0.249 217 N C 1.137 176.663 175.510 0.026 0.000 1.060 217 N CA 1.118 54.064 53.050 -0.173 0.000 0.825 217 N CB -1.012 37.408 38.487 -0.113 0.000 1.132 217 N HN 0.299 nan 8.380 nan 0.000 0.564 218 V N -2.540 117.395 119.914 0.035 0.000 2.453 218 V HA -0.253 3.870 4.120 0.006 0.000 0.252 218 V C 1.845 178.014 176.094 0.125 0.000 1.068 218 V CA 2.456 64.786 62.300 0.051 0.000 1.070 218 V CB -0.420 31.436 31.823 0.055 0.000 0.664 218 V HN 0.468 nan 8.190 nan 0.000 0.461 219 E N 0.733 120.986 120.200 0.088 0.000 2.152 219 E HA -0.123 4.230 4.350 0.006 0.000 0.192 219 E C 2.115 178.756 176.600 0.067 0.000 0.983 219 E CA 1.272 57.715 56.400 0.072 0.000 0.818 219 E CB 0.001 29.709 29.700 0.013 0.000 0.758 219 E HN 0.718 nan 8.360 nan 0.000 0.467 220 S N -0.856 114.890 115.700 0.076 0.000 2.503 220 S HA 0.082 4.555 4.470 0.006 0.000 0.217 220 S C 0.821 175.590 174.600 0.282 0.000 0.999 220 S CA 0.167 58.439 58.200 0.121 0.000 0.914 220 S CB 0.206 63.442 63.200 0.060 0.000 0.782 220 S HN 0.361 nan 8.310 nan 0.000 0.520 221 F N 0.809 120.835 119.950 0.127 0.000 1.964 221 F HA 0.477 5.007 4.527 0.006 0.000 0.248 221 F C 1.997 177.905 175.800 0.180 0.000 1.051 221 F CA 0.564 58.685 58.000 0.202 0.000 1.221 221 F CB -0.693 38.456 39.000 0.249 0.000 1.497 221 F HN 0.028 nan 8.300 nan 0.000 0.653 222 A N 1.966 124.836 122.820 0.082 0.000 1.849 222 A HA -0.174 4.149 4.320 0.006 0.000 0.217 222 A C 2.121 179.766 177.584 0.102 0.000 1.202 222 A CA 2.554 54.552 52.037 -0.065 0.000 0.629 222 A CB -1.457 17.366 19.000 -0.295 0.000 0.834 222 A HN 0.510 nan 8.150 nan 0.000 0.447 223 I N 0.695 121.413 120.570 0.248 0.000 2.091 223 I HA -0.221 3.952 4.170 0.006 0.000 0.239 223 I C -0.145 176.073 176.117 0.168 0.000 1.061 223 I CA 2.101 63.586 61.300 0.309 0.000 1.317 223 I CB -1.542 36.627 38.000 0.282 0.000 1.031 223 I HN 0.322 nan 8.210 nan 0.000 0.401 224 P HA -0.254 nan 4.420 nan 0.000 0.215 224 P C 1.706 179.022 177.300 0.026 0.000 1.157 224 P CA 1.886 65.025 63.100 0.065 0.000 0.868 224 P CB -0.284 31.446 31.700 0.049 0.000 0.788 225 Y N 1.101 121.293 120.300 -0.180 0.000 2.165 225 Y HA -0.185 4.368 4.550 0.006 0.000 0.286 225 Y C 2.415 178.239 175.900 -0.127 0.000 1.155 225 Y CA 1.349 59.295 58.100 -0.256 0.000 1.164 225 Y CB -1.006 37.071 38.460 -0.638 0.000 0.978 225 Y HN -0.291 nan 8.280 nan 0.000 0.513 226 V N -0.817 119.174 119.914 0.130 0.000 2.358 226 V HA -0.308 3.815 4.120 0.006 0.000 0.246 226 V C 1.972 178.075 176.094 0.016 0.000 1.047 226 V CA 2.106 64.464 62.300 0.097 0.000 1.035 226 V CB -1.098 30.808 31.823 0.138 0.000 0.658 226 V HN 0.502 nan 8.190 nan 0.000 0.452 227 Y N 1.832 122.087 120.300 -0.076 0.000 2.114 227 Y HA -0.223 4.330 4.550 0.006 0.000 0.284 227 Y C 2.560 178.391 175.900 -0.115 0.000 1.143 227 Y CA 2.082 60.121 58.100 -0.102 0.000 1.135 227 Y CB -0.319 38.096 38.460 -0.075 0.000 0.980 227 Y HN 0.267 nan 8.280 nan 0.000 0.499 228 N N -0.021 118.631 118.700 -0.080 0.000 2.331 228 N HA -0.128 4.616 4.740 0.006 0.000 0.180 228 N C 1.887 177.253 175.510 -0.239 0.000 1.019 228 N CA 0.939 53.876 53.050 -0.188 0.000 0.881 228 N CB -0.253 38.137 38.487 -0.162 0.000 0.972 228 N HN 0.262 nan 8.380 nan 0.000 0.435 229 R N 1.571 121.927 120.500 -0.240 0.000 2.057 229 R HA 0.155 4.498 4.340 0.006 0.000 0.229 229 R C 2.113 178.368 176.300 -0.076 0.000 1.136 229 R CA 0.913 56.917 56.100 -0.159 0.000 0.952 229 R CB -0.675 29.595 30.300 -0.051 0.000 0.848 229 R HN 0.129 nan 8.270 nan 0.000 0.430 230 I N 0.803 121.309 120.570 -0.105 0.000 2.361 230 I HA -0.255 3.919 4.170 0.006 0.000 0.251 230 I C 2.355 178.421 176.117 -0.085 0.000 1.133 230 I CA 1.456 62.701 61.300 -0.091 0.000 1.413 230 I CB -0.320 37.538 38.000 -0.236 0.000 1.073 230 I HN 0.280 nan 8.210 nan 0.000 0.424 231 K N 1.385 121.644 120.400 -0.234 0.000 2.031 231 K HA -0.146 4.177 4.320 0.006 0.000 0.205 231 K C 1.543 178.066 176.600 -0.129 0.000 1.049 231 K CA 1.634 57.769 56.287 -0.254 0.000 0.939 231 K CB -0.053 32.189 32.500 -0.430 0.000 0.717 231 K HN 0.144 nan 8.250 nan 0.000 0.438 232 N N 0.266 118.895 118.700 -0.118 0.000 2.609 232 N HA 0.009 4.752 4.740 0.006 0.000 0.190 232 N C 0.839 176.313 175.510 -0.059 0.000 1.157 232 N CA 0.761 53.758 53.050 -0.088 0.000 0.918 232 N CB 0.180 38.605 38.487 -0.103 0.000 0.978 232 N HN 0.337 nan 8.380 nan 0.000 0.448 233 I N -2.415 118.146 120.570 -0.015 0.000 3.738 233 I HA 0.078 4.251 4.170 0.006 0.000 0.250 233 I C 0.142 176.209 176.117 -0.084 0.000 1.117 233 I CA 0.007 61.280 61.300 -0.044 0.000 1.624 233 I CB 0.057 38.071 38.000 0.022 0.000 1.637 233 I HN -0.168 nan 8.210 nan 0.000 0.431 234 F N 2.544 122.438 119.950 -0.093 0.000 2.795 234 F HA 0.364 4.895 4.527 0.006 0.000 0.303 234 F C 1.216 176.961 175.800 -0.092 0.000 1.186 234 F CA 0.322 58.272 58.000 -0.083 0.000 1.415 234 F CB -0.880 38.070 39.000 -0.084 0.000 1.106 234 F HN 0.243 nan 8.300 nan 0.000 0.558 235 G N 0.439 109.264 108.800 0.041 0.000 2.733 235 G HA2 -0.258 3.705 3.960 0.006 0.000 0.686 235 G HA3 -0.258 3.705 3.960 0.006 0.000 0.686 235 G C 0.477 175.342 174.900 -0.059 0.000 1.373 235 G CA -0.156 44.934 45.100 -0.017 0.000 0.838 235 G HN 0.308 nan 8.290 nan 0.000 0.588 236 E N -0.276 119.874 120.200 -0.082 0.000 2.150 236 E HA -0.064 4.289 4.350 0.006 0.000 0.193 236 E C 2.531 179.074 176.600 -0.095 0.000 0.985 236 E CA 1.372 57.700 56.400 -0.121 0.000 0.814 236 E CB -0.123 29.529 29.700 -0.079 0.000 0.752 236 E HN 0.452 nan 8.360 nan 0.000 0.466 237 S N -0.428 115.240 115.700 -0.053 0.000 2.453 237 S HA -0.078 4.395 4.470 0.006 0.000 0.231 237 S C 1.806 176.378 174.600 -0.046 0.000 1.005 237 S CA 1.073 59.251 58.200 -0.036 0.000 0.949 237 S CB -0.021 63.167 63.200 -0.019 0.000 0.774 237 S HN 0.294 nan 8.310 nan 0.000 0.510 238 T N 1.972 116.492 114.554 -0.056 0.000 2.809 238 T HA 0.100 4.453 4.350 0.006 0.000 0.260 238 T C 2.201 176.809 174.700 -0.154 0.000 1.039 238 T CA 0.986 63.042 62.100 -0.074 0.000 1.141 238 T CB -0.378 68.486 68.868 -0.007 0.000 0.869 238 T HN 0.419 nan 8.240 nan 0.000 0.437 239 A N 1.871 124.561 122.820 -0.216 0.000 1.948 239 A HA -0.166 4.157 4.320 0.006 0.000 0.220 239 A C 2.038 179.501 177.584 -0.202 0.000 1.177 239 A CA 1.569 53.382 52.037 -0.372 0.000 0.636 239 A CB -0.489 18.068 19.000 -0.738 0.000 0.815 239 A HN 0.465 nan 8.150 nan 0.000 0.449 240 K N -0.678 119.679 120.400 -0.072 0.000 2.555 240 K HA 0.003 4.327 4.320 0.006 0.000 0.193 240 K C 1.658 178.252 176.600 -0.011 0.000 1.032 240 K CA 0.345 56.670 56.287 0.062 0.000 1.004 240 K CB -0.080 32.447 32.500 0.046 0.000 0.804 240 K HN 0.412 nan 8.250 nan 0.000 0.496 241 R N 0.375 120.819 120.500 -0.094 0.000 2.280 241 R HA 0.019 4.362 4.340 0.006 0.000 0.207 241 R C 1.655 177.841 176.300 -0.189 0.000 1.043 241 R CA 0.483 56.514 56.100 -0.116 0.000 1.006 241 R CB -0.084 30.125 30.300 -0.151 0.000 0.885 241 R HN 0.165 nan 8.270 nan 0.000 0.467 242 L N -0.060 120.991 121.223 -0.286 0.000 2.362 242 L HA -0.036 4.307 4.340 0.006 0.000 0.219 242 L C 1.064 177.950 176.870 0.028 0.000 1.134 242 L CA 0.467 54.999 54.840 -0.514 0.000 0.807 242 L CB -0.083 41.666 42.059 -0.516 0.000 0.927 242 L HN -0.039 nan 8.230 nan 0.000 0.447 243 S N 0.575 116.308 115.700 0.053 0.000 2.422 243 S HA 0.283 4.756 4.470 0.006 0.000 0.308 243 S C -1.392 173.230 174.600 0.037 0.000 1.097 243 S CA -1.675 56.583 58.200 0.097 0.000 1.099 243 S CB 1.026 64.280 63.200 0.090 0.000 0.976 243 S HN -0.046 nan 8.310 nan 0.000 0.471 244 P HA -0.105 nan 4.420 nan 0.000 0.229 244 P C 0.185 177.378 177.300 -0.178 0.000 1.150 244 P CA 1.089 64.098 63.100 -0.152 0.000 0.765 244 P CB -0.069 31.473 31.700 -0.264 0.000 0.783 245 H N -1.187 117.964 119.070 0.135 0.000 2.893 245 H HA 0.270 4.830 4.556 0.006 0.000 0.270 245 H C 0.687 176.028 175.328 0.022 0.000 1.095 245 H CA -0.209 55.904 56.048 0.109 0.000 1.186 245 H CB 0.509 30.262 29.762 -0.014 0.000 1.562 245 H HN -0.052 nan 8.280 nan 0.000 0.536 246 R N 0.254 120.810 120.500 0.093 0.000 3.878 246 R HA -0.161 4.183 4.340 0.006 0.000 0.330 246 R C 0.128 176.416 176.300 -0.020 0.000 1.186 246 R CA 0.491 56.613 56.100 0.037 0.000 0.885 246 R CB -2.205 28.122 30.300 0.044 0.000 1.377 246 R HN 0.395 nan 8.270 nan 0.000 0.523 247 K N 1.138 121.503 120.400 -0.059 0.000 2.426 247 K HA 0.414 4.737 4.320 0.006 0.000 0.254 247 K C -0.429 176.027 176.600 -0.241 0.000 0.936 247 K CA -0.055 56.096 56.287 -0.228 0.000 0.801 247 K CB 1.560 33.791 32.500 -0.448 0.000 1.139 247 K HN 0.142 nan 8.250 nan 0.000 0.424 248 T N 0.599 115.021 114.554 -0.220 0.000 2.906 248 T HA 0.524 4.877 4.350 0.006 0.000 0.295 248 T C -0.959 173.630 174.700 -0.185 0.000 1.075 248 T CA -0.990 61.016 62.100 -0.156 0.000 1.005 248 T CB 1.755 70.526 68.868 -0.161 0.000 1.136 248 T HN 0.633 nan 8.240 nan 0.000 0.498 249 R N 1.266 121.711 120.500 -0.091 0.000 2.621 249 R HA 0.683 5.026 4.340 0.006 0.000 0.292 249 R C -1.734 174.520 176.300 -0.077 0.000 0.969 249 R CA -0.780 55.289 56.100 -0.051 0.000 0.887 249 R CB 1.978 32.327 30.300 0.081 0.000 1.180 249 R HN 0.621 nan 8.270 nan 0.000 0.450 250 V N 4.578 124.453 119.914 -0.065 0.000 2.334 250 V HA 0.305 4.428 4.120 0.006 0.000 0.281 250 V C -0.230 175.843 176.094 -0.034 0.000 1.016 250 V CA -0.708 61.554 62.300 -0.063 0.000 0.832 250 V CB 1.298 33.104 31.823 -0.028 0.000 0.999 250 V HN 0.658 nan 8.190 nan 0.000 0.439 251 K N 4.364 124.743 120.400 -0.035 0.000 2.253 251 K HA 0.579 4.903 4.320 0.006 0.000 0.277 251 K C -0.932 175.653 176.600 -0.024 0.000 1.053 251 K CA -0.423 55.846 56.287 -0.029 0.000 0.892 251 K CB 1.284 33.763 32.500 -0.035 0.000 1.102 251 K HN 0.532 nan 8.250 nan 0.000 0.469 252 V N 6.684 126.586 119.914 -0.020 0.000 2.383 252 V HA 0.342 4.465 4.120 0.006 0.000 0.275 252 V C 0.157 176.240 176.094 -0.019 0.000 1.036 252 V CA -0.566 61.726 62.300 -0.013 0.000 0.889 252 V CB 1.005 32.823 31.823 -0.009 0.000 0.985 252 V HN 0.708 nan 8.190 nan 0.000 0.459 253 I N 3.591 124.152 120.570 -0.015 0.000 2.862 253 I HA 0.275 4.448 4.170 0.006 0.000 0.285 253 I C 0.557 176.666 176.117 -0.014 0.000 1.339 253 I CA -0.096 61.191 61.300 -0.022 0.000 1.002 253 I CB 1.019 39.002 38.000 -0.029 0.000 1.618 253 I HN 0.673 nan 8.210 nan 0.000 0.593 254 E N 4.141 124.333 120.200 -0.014 0.000 2.323 254 E HA -0.040 4.313 4.350 0.006 0.000 0.313 254 E C 0.412 176.994 176.600 -0.030 0.000 1.236 254 E CA -0.210 56.185 56.400 -0.008 0.000 1.333 254 E CB 0.038 29.735 29.700 -0.005 0.000 1.138 254 E HN 0.416 nan 8.360 nan 0.000 0.492 255 N N 5.448 124.132 118.700 -0.027 0.000 2.394 255 N HA -0.134 4.609 4.740 0.006 0.000 0.282 255 N C 0.427 175.891 175.510 -0.078 0.000 1.351 255 N CA 0.396 53.418 53.050 -0.047 0.000 0.936 255 N CB 0.071 38.541 38.487 -0.028 0.000 1.274 255 N HN 0.463 nan 8.380 nan 0.000 0.489 256 M N 1.976 121.483 119.600 -0.154 0.000 7.319 256 M HA -0.383 4.100 4.480 0.006 0.000 0.321 256 M C -0.360 175.741 176.300 -0.331 0.000 0.480 256 M CA 1.535 56.633 55.300 -0.336 0.000 1.311 256 M CB -1.936 30.473 32.600 -0.319 0.000 0.421 256 M HN 0.409 nan 8.290 nan 0.000 0.817 257 Y N 1.158 121.469 120.300 0.018 0.000 2.319 257 Y HA 0.491 5.044 4.550 0.006 0.000 0.328 257 Y C 1.313 177.233 175.900 0.035 0.000 1.133 257 Y CA 0.570 58.685 58.100 0.024 0.000 1.265 257 Y CB 0.319 38.794 38.460 0.025 0.000 1.218 257 Y HN 0.862 nan 8.280 nan 0.000 0.508 258 G N 1.213 110.127 108.800 0.189 0.000 2.692 258 G HA2 0.043 4.006 3.960 0.006 0.000 0.686 258 G HA3 0.043 4.006 3.960 0.006 0.000 0.686 258 G C -0.907 174.046 174.900 0.089 0.000 1.243 258 G CA -0.484 44.697 45.100 0.134 0.000 0.782 258 G HN 0.780 nan 8.290 nan 0.000 0.625 259 S N 0.480 116.229 115.700 0.081 0.000 2.561 259 S HA 0.765 5.238 4.470 0.006 0.000 0.303 259 S C 0.201 174.841 174.600 0.067 0.000 1.110 259 S CA -0.618 57.616 58.200 0.057 0.000 1.034 259 S CB 0.923 64.148 63.200 0.041 0.000 1.010 259 S HN 0.738 nan 8.310 nan 0.000 0.482 260 R N 2.849 123.382 120.500 0.055 0.000 2.460 260 R HA 0.509 4.852 4.340 0.006 0.000 0.303 260 R C -0.526 175.796 176.300 0.036 0.000 0.968 260 R CA -0.624 55.515 56.100 0.064 0.000 0.889 260 R CB 1.525 31.860 30.300 0.059 0.000 1.123 260 R HN 0.650 nan 8.270 nan 0.000 0.455 261 E N 2.428 122.653 120.200 0.040 0.000 2.263 261 E HA 0.469 4.822 4.350 0.006 0.000 0.264 261 E C -0.674 175.930 176.600 0.007 0.000 0.923 261 E CA -0.932 55.478 56.400 0.016 0.000 0.802 261 E CB 2.156 31.866 29.700 0.017 0.000 1.228 261 E HN 0.163 nan 8.360 nan 0.000 0.417 262 I N 2.665 123.224 120.570 -0.018 0.000 2.468 262 I HA 0.302 4.475 4.170 0.006 0.000 0.285 262 I C -0.940 175.141 176.117 -0.060 0.000 1.039 262 I CA -0.659 60.623 61.300 -0.029 0.000 1.074 262 I CB 1.301 39.279 38.000 -0.037 0.000 1.228 262 I HN 0.446 nan 8.210 nan 0.000 0.436 263 I N 5.595 126.113 120.570 -0.087 0.000 2.392 263 I HA 0.302 4.475 4.170 0.006 0.000 0.295 263 I C 0.564 176.618 176.117 -0.105 0.000 0.985 263 I CA -0.042 61.146 61.300 -0.186 0.000 1.221 263 I CB 1.578 39.349 38.000 -0.381 0.000 1.366 263 I HN 0.409 nan 8.210 nan 0.000 0.467 264 T N 7.253 121.768 114.554 -0.065 0.000 2.756 264 T HA 0.497 4.851 4.350 0.006 0.000 0.290 264 T C -0.013 174.766 174.700 0.132 0.000 0.985 264 T CA -0.433 61.697 62.100 0.049 0.000 0.955 264 T CB 0.247 69.195 68.868 0.134 0.000 0.930 264 T HN 0.248 nan 8.240 nan 0.000 0.451 265 L N 4.602 125.892 121.223 0.112 0.000 2.302 265 L HA 0.402 4.745 4.340 0.006 0.000 0.285 265 L C -0.176 176.839 176.870 0.241 0.000 1.090 265 L CA -0.785 54.155 54.840 0.166 0.000 0.866 265 L CB -0.208 41.942 42.059 0.153 0.000 1.244 265 L HN 0.516 nan 8.230 nan 0.000 0.435 266 F N 1.901 121.863 119.950 0.020 0.000 2.602 266 F HA 0.237 4.767 4.527 0.006 0.000 0.367 266 F C 1.569 177.442 175.800 0.121 0.000 1.126 266 F CA 0.890 58.930 58.000 0.067 0.000 1.321 266 F CB 0.491 39.519 39.000 0.046 0.000 1.094 266 F HN 0.694 nan 8.300 nan 0.000 0.594 267 G N 2.557 111.523 108.800 0.277 0.000 2.159 267 G HA2 -0.266 3.697 3.960 0.006 0.000 0.256 267 G HA3 -0.266 3.697 3.960 0.006 0.000 0.256 267 G C -0.180 174.768 174.900 0.081 0.000 0.977 267 G CA 0.015 45.238 45.100 0.205 0.000 0.652 267 G HN 0.556 nan 8.290 nan 0.000 0.531 268 I N 0.687 121.304 120.570 0.078 0.000 2.686 268 I HA 0.444 4.618 4.170 0.006 0.000 0.295 268 I C -0.339 175.809 176.117 0.051 0.000 1.114 268 I CA -0.836 60.505 61.300 0.067 0.000 1.038 268 I CB 2.389 40.457 38.000 0.114 0.000 1.238 268 I HN 0.011 nan 8.210 nan 0.000 0.420 269 S N 4.451 120.181 115.700 0.050 0.000 2.420 269 S HA 0.423 4.896 4.470 0.006 0.000 0.313 269 S C -0.314 174.333 174.600 0.079 0.000 1.079 269 S CA -0.546 57.681 58.200 0.044 0.000 1.104 269 S CB 1.216 64.433 63.200 0.027 0.000 0.969 269 S HN 0.270 nan 8.310 nan 0.000 0.471 270 V N 5.747 125.721 119.914 0.100 0.000 2.350 270 V HA 0.349 4.472 4.120 0.006 0.000 0.276 270 V C -0.199 176.005 176.094 0.183 0.000 1.028 270 V CA -0.406 61.983 62.300 0.149 0.000 0.860 270 V CB 0.824 32.738 31.823 0.152 0.000 0.990 270 V HN 0.753 nan 8.190 nan 0.000 0.453 271 L N 4.231 125.572 121.223 0.197 0.000 2.435 271 L HA 0.394 4.738 4.340 0.006 0.000 0.253 271 L C 0.138 177.161 176.870 0.254 0.000 1.087 271 L CA -0.442 54.536 54.840 0.230 0.000 0.950 271 L CB 0.909 43.044 42.059 0.127 0.000 1.304 271 L HN 0.558 nan 8.230 nan 0.000 0.453 272 D N 0.604 121.134 120.400 0.217 0.000 2.487 272 D HA -0.145 4.498 4.640 0.006 0.000 0.243 272 D C 0.747 177.116 176.300 0.115 0.000 1.154 272 D CA 0.501 54.572 54.000 0.120 0.000 0.876 272 D CB 0.824 41.604 40.800 -0.033 0.000 1.161 272 D HN 0.317 nan 8.370 nan 0.000 0.478 273 Y N 3.612 123.971 120.300 0.098 0.000 2.352 273 Y HA -0.129 4.424 4.550 0.005 0.000 0.292 273 Y C 2.170 178.077 175.900 0.012 0.000 1.136 273 Y CA 0.832 59.049 58.100 0.194 0.000 1.227 273 Y CB 0.034 38.715 38.460 0.367 0.000 0.991 273 Y HN 0.580 nan 8.280 nan 0.000 0.545 274 I N -0.493 119.838 120.570 -0.398 0.000 2.315 274 I HA -0.309 3.864 4.170 0.006 0.000 0.248 274 I C 1.567 177.467 176.117 -0.361 0.000 1.117 274 I CA 1.785 62.622 61.300 -0.772 0.000 1.404 274 I CB -0.143 37.179 38.000 -1.130 0.000 1.071 274 I HN 0.161 nan 8.210 nan 0.000 0.419 275 D N 0.529 120.733 120.400 -0.326 0.000 2.183 275 D HA -0.103 4.541 4.640 0.006 0.000 0.203 275 D C 2.291 178.459 176.300 -0.220 0.000 0.969 275 D CA 1.042 54.813 54.000 -0.381 0.000 0.842 275 D CB -0.058 40.368 40.800 -0.622 0.000 0.957 275 D HN 0.395 nan 8.370 nan 0.000 0.484 276 L N -0.197 120.973 121.223 -0.090 0.000 2.156 276 L HA -0.161 4.183 4.340 0.006 0.000 0.208 276 L C 2.412 179.033 176.870 -0.415 0.000 1.095 276 L CA 0.762 55.453 54.840 -0.248 0.000 0.770 276 L CB -0.269 41.596 42.059 -0.324 0.000 0.914 276 L HN 0.031 nan 8.230 nan 0.000 0.439 277 Y N 0.879 121.053 120.300 -0.210 0.000 2.220 277 Y HA -0.186 4.367 4.550 0.005 0.000 0.291 277 Y C 2.467 178.312 175.900 -0.092 0.000 1.129 277 Y CA 1.472 59.623 58.100 0.084 0.000 1.161 277 Y CB 0.083 38.802 38.460 0.431 0.000 0.997 277 Y HN -0.037 nan 8.280 nan 0.000 0.522 278 K N -0.029 120.302 120.400 -0.114 0.000 2.283 278 K HA -0.151 4.173 4.320 0.006 0.000 0.202 278 K C 2.001 178.338 176.600 -0.439 0.000 1.048 278 K CA 1.315 57.449 56.287 -0.255 0.000 0.948 278 K CB 0.013 32.306 32.500 -0.345 0.000 0.742 278 K HN 0.235 nan 8.250 nan 0.000 0.458 279 K N -0.043 119.990 120.400 -0.611 0.000 2.202 279 K HA 0.051 4.375 4.320 0.006 0.000 0.201 279 K C 1.139 177.218 176.600 -0.869 0.000 1.051 279 K CA 0.585 56.402 56.287 -0.783 0.000 0.977 279 K CB 0.320 32.254 32.500 -0.944 0.000 0.792 279 K HN 0.033 nan 8.250 nan 0.000 0.469 280 F N 0.086 119.614 119.950 -0.703 0.000 2.704 280 F HA 0.084 4.614 4.527 0.006 0.000 0.304 280 F C 2.114 177.620 175.800 -0.491 0.000 1.094 280 F CA -0.251 57.293 58.000 -0.760 0.000 1.275 280 F CB 0.681 38.996 39.000 -1.142 0.000 1.073 280 F HN 0.055 nan 8.300 nan 0.000 0.586 281 S N -0.059 115.444 115.700 -0.329 0.000 2.446 281 S HA -0.102 4.371 4.470 0.006 0.000 0.225 281 S C 0.625 175.302 174.600 0.128 0.000 1.016 281 S CA 0.093 58.294 58.200 0.001 0.000 0.943 281 S CB -0.752 62.081 63.200 -0.611 0.000 0.786 281 S HN 0.299 nan 8.310 nan 0.000 0.508 282 F N 2.387 122.286 119.950 -0.086 0.000 2.985 282 F HA -0.158 4.373 4.527 0.006 0.000 0.303 282 F C 0.484 176.270 175.800 -0.025 0.000 0.976 282 F CA 0.786 58.767 58.000 -0.032 0.000 1.013 282 F CB -2.293 36.716 39.000 0.015 0.000 1.060 282 F HN 0.589 nan 8.300 nan 0.000 0.780 283 T N -2.842 111.710 114.554 -0.002 0.000 2.864 283 T HA 0.700 5.053 4.350 0.006 0.000 0.299 283 T C -0.824 173.883 174.700 0.012 0.000 1.166 283 T CA -0.982 61.122 62.100 0.007 0.000 1.007 283 T CB 2.547 71.377 68.868 -0.064 0.000 1.219 283 T HN 0.120 nan 8.240 nan 0.000 0.506 284 N N 1.538 120.241 118.700 0.005 0.000 2.640 284 N HA 0.189 4.933 4.740 0.006 0.000 0.262 284 N C -1.041 174.432 175.510 -0.061 0.000 1.174 284 N CA -0.364 52.706 53.050 0.035 0.000 0.791 284 N CB 1.188 39.685 38.487 0.017 0.000 1.279 284 N HN 0.552 nan 8.380 nan 0.000 0.535 285 Q N 2.236 121.925 119.800 -0.185 0.000 2.327 285 Q HA 0.291 4.634 4.340 0.006 0.000 0.254 285 Q C -1.513 174.205 176.000 -0.470 0.000 0.952 285 Q CA -1.351 54.193 55.803 -0.431 0.000 0.884 285 Q CB 1.119 29.390 28.738 -0.777 0.000 1.224 285 Q HN 0.425 nan 8.270 nan 0.000 0.422 286 P HA -0.086 nan 4.420 nan 0.000 0.223 286 P C 0.287 177.194 177.300 -0.655 0.000 1.151 286 P CA 0.884 63.705 63.100 -0.465 0.000 0.787 286 P CB 0.599 32.085 31.700 -0.357 0.000 0.788 287 S N -1.496 113.648 115.700 -0.927 0.000 2.540 287 S HA 0.446 4.919 4.470 0.006 0.000 0.275 287 S C -1.204 172.996 174.600 -0.666 0.000 1.123 287 S CA -0.601 57.135 58.200 -0.772 0.000 0.907 287 S CB 0.820 63.489 63.200 -0.884 0.000 1.081 287 S HN -0.117 nan 8.310 nan 0.000 0.476 288 Y N 2.484 122.713 120.300 -0.118 0.000 2.736 288 Y HA 0.310 4.863 4.550 0.006 0.000 0.293 288 Y C 0.990 177.066 175.900 0.292 0.000 1.062 288 Y CA -0.468 57.703 58.100 0.119 0.000 1.247 288 Y CB 0.490 39.015 38.460 0.109 0.000 1.200 288 Y HN 0.696 nan 8.280 nan 0.000 0.552 289 S N -0.575 115.250 115.700 0.207 0.000 2.513 289 S HA 0.108 4.582 4.470 0.006 0.000 0.276 289 S C 1.085 175.629 174.600 -0.094 0.000 1.254 289 S CA -0.736 57.563 58.200 0.166 0.000 1.053 289 S CB 1.435 64.681 63.200 0.077 0.000 0.958 289 S HN 0.485 nan 8.310 nan 0.000 0.491 290 L N 2.256 123.183 121.223 -0.492 0.000 2.197 290 L HA -0.149 4.194 4.340 0.006 0.000 0.215 290 L C 1.718 178.291 176.870 -0.494 0.000 1.095 290 L CA 2.243 56.471 54.840 -1.021 0.000 0.764 290 L CB -0.970 40.505 42.059 -0.973 0.000 0.897 290 L HN 0.957 nan 8.230 nan 0.000 0.436 291 D N -2.266 117.984 120.400 -0.250 0.000 2.097 291 D HA -0.268 4.375 4.640 0.006 0.000 0.197 291 D C 2.038 178.270 176.300 -0.112 0.000 0.984 291 D CA 1.354 55.260 54.000 -0.156 0.000 0.826 291 D CB -0.243 40.516 40.800 -0.069 0.000 0.973 291 D HN 0.498 nan 8.370 nan 0.000 0.460 292 Y N 0.455 120.661 120.300 -0.157 0.000 2.181 292 Y HA -0.125 4.428 4.550 0.006 0.000 0.288 292 Y C 1.918 177.745 175.900 -0.122 0.000 1.146 292 Y CA 1.203 59.235 58.100 -0.114 0.000 1.164 292 Y CB -0.024 38.370 38.460 -0.109 0.000 0.982 292 Y HN 0.034 nan 8.280 nan 0.000 0.515 293 I N -0.852 119.673 120.570 -0.075 0.000 2.252 293 I HA -0.252 3.921 4.170 0.006 0.000 0.245 293 I C 2.406 178.419 176.117 -0.173 0.000 1.102 293 I CA 1.379 62.576 61.300 -0.172 0.000 1.385 293 I CB -1.502 36.231 38.000 -0.446 0.000 1.064 293 I HN 0.167 nan 8.210 nan 0.000 0.414 294 S N 0.362 115.901 115.700 -0.268 0.000 2.370 294 S HA -0.192 4.282 4.470 0.006 0.000 0.226 294 S C 1.940 176.448 174.600 -0.153 0.000 1.033 294 S CA 1.166 59.234 58.200 -0.221 0.000 1.011 294 S CB -0.151 62.897 63.200 -0.253 0.000 0.852 294 S HN 0.414 nan 8.310 nan 0.000 0.457 295 E N 0.643 120.741 120.200 -0.171 0.000 2.031 295 E HA -0.139 4.214 4.350 0.006 0.000 0.193 295 E C 1.807 178.324 176.600 -0.138 0.000 0.994 295 E CA 1.042 57.337 56.400 -0.174 0.000 0.800 295 E CB -0.323 29.232 29.700 -0.242 0.000 0.752 295 E HN 0.536 nan 8.360 nan 0.000 0.447 296 F N 1.900 121.683 119.950 -0.279 0.000 2.095 296 F HA -0.204 4.327 4.527 0.006 0.000 0.298 296 F C 2.250 178.004 175.800 -0.077 0.000 1.104 296 F CA 1.706 59.597 58.000 -0.183 0.000 1.232 296 F CB 0.122 39.039 39.000 -0.139 0.000 0.987 296 F HN -0.002 nan 8.300 nan 0.000 0.475 297 E N 0.227 120.508 120.200 0.136 0.000 2.060 297 E HA -0.041 4.312 4.350 0.006 0.000 0.189 297 E C 2.210 178.784 176.600 -0.043 0.000 0.974 297 E CA 1.347 57.793 56.400 0.077 0.000 0.808 297 E CB -0.327 29.472 29.700 0.164 0.000 0.768 297 E HN 0.466 nan 8.360 nan 0.000 0.453 298 L N 0.035 121.218 121.223 -0.067 0.000 2.556 298 L HA 0.189 4.532 4.340 0.006 0.000 0.226 298 L C 0.282 177.102 176.870 -0.082 0.000 1.089 298 L CA -0.172 54.627 54.840 -0.068 0.000 0.864 298 L CB -0.314 41.686 42.059 -0.098 0.000 1.067 298 L HN 0.053 nan 8.230 nan 0.000 0.477 299 N N 0.817 119.450 118.700 -0.112 0.000 2.708 299 N HA -0.152 4.591 4.740 0.006 0.000 0.255 299 N C -0.571 174.877 175.510 -0.104 0.000 1.046 299 N CA 0.713 53.692 53.050 -0.118 0.000 0.715 299 N CB -0.799 37.623 38.487 -0.109 0.000 0.895 299 N HN 0.290 nan 8.380 nan 0.000 0.545 300 V N -2.086 117.762 119.914 -0.110 0.000 3.204 300 V HA 1.011 5.135 4.120 0.006 0.000 0.316 300 V C 1.592 177.627 176.094 -0.099 0.000 1.160 300 V CA -0.367 61.873 62.300 -0.099 0.000 1.044 300 V CB 1.144 32.905 31.823 -0.104 0.000 1.136 300 V HN 0.292 nan 8.190 nan 0.000 0.455 301 G N -0.125 108.624 108.800 -0.085 0.000 2.744 301 G HA2 0.229 4.193 3.960 0.006 0.000 0.257 301 G HA3 0.229 4.193 3.960 0.006 0.000 0.257 301 G C 0.203 175.044 174.900 -0.098 0.000 1.244 301 G CA -0.307 44.746 45.100 -0.077 0.000 0.916 301 G HN 0.894 nan 8.290 nan 0.000 0.564 302 K N -0.398 119.952 120.400 -0.084 0.000 2.493 302 K HA 0.263 4.587 4.320 0.006 0.000 0.207 302 K C 0.167 176.704 176.600 -0.105 0.000 1.033 302 K CA -0.264 55.967 56.287 -0.092 0.000 1.161 302 K CB -0.026 32.433 32.500 -0.069 0.000 0.873 302 K HN 0.361 nan 8.250 nan 0.000 0.491 303 L N 1.125 122.264 121.223 -0.140 0.000 3.844 303 L HA -0.302 4.041 4.340 0.006 0.000 0.580 303 L C 0.250 177.153 176.870 0.054 0.000 1.156 303 L CA 0.596 55.296 54.840 -0.234 0.000 0.848 303 L CB -1.691 40.039 42.059 -0.549 0.000 1.283 303 L HN 0.343 nan 8.230 nan 0.000 0.803 304 K N 2.594 123.077 120.400 0.138 0.000 2.295 304 K HA 0.544 4.868 4.320 0.006 0.000 0.270 304 K C -0.586 176.212 176.600 0.329 0.000 1.011 304 K CA 0.620 56.981 56.287 0.124 0.000 0.953 304 K CB 0.882 33.423 32.500 0.069 0.000 0.956 304 K HN 0.549 nan 8.250 nan 0.000 0.477 305 Y N -1.572 118.832 120.300 0.172 0.000 2.558 305 Y HA 0.431 4.984 4.550 0.006 0.000 0.333 305 Y C 0.039 175.988 175.900 0.081 0.000 1.125 305 Y CA -1.632 56.542 58.100 0.123 0.000 1.039 305 Y CB 0.821 39.368 38.460 0.146 0.000 1.331 305 Y HN 0.573 nan 8.280 nan 0.000 0.456 306 D N 2.132 122.709 120.400 0.294 0.000 2.074 306 D HA 0.042 4.685 4.640 0.006 0.000 0.221 306 D C 1.236 177.670 176.300 0.223 0.000 0.972 306 D CA 1.632 55.744 54.000 0.187 0.000 0.901 306 D CB -0.604 40.267 40.800 0.118 0.000 1.047 306 D HN 0.880 nan 8.370 nan 0.000 0.453 307 G N 1.375 110.294 108.800 0.198 0.000 2.590 307 G HA2 0.198 4.161 3.960 0.006 0.000 0.276 307 G HA3 0.198 4.161 3.960 0.006 0.000 0.276 307 G C -2.248 172.812 174.900 0.268 0.000 1.337 307 G CA -0.497 44.704 45.100 0.167 0.000 1.030 307 G HN 0.132 nan 8.290 nan 0.000 0.534 308 P HA 0.121 nan 4.420 nan 0.000 0.278 308 P C 0.955 178.356 177.300 0.168 0.000 1.238 308 P CA -0.633 62.607 63.100 0.233 0.000 0.794 308 P CB 1.557 33.335 31.700 0.131 0.000 0.955 309 I N 3.135 123.830 120.570 0.209 0.000 2.300 309 I HA -0.307 3.867 4.170 0.006 0.000 0.252 309 I C 1.992 178.107 176.117 -0.003 0.000 1.119 309 I CA 2.346 63.638 61.300 -0.014 0.000 1.384 309 I CB -0.885 37.183 38.000 0.113 0.000 1.062 309 I HN 0.413 nan 8.210 nan 0.000 0.426 310 S N -0.715 114.995 115.700 0.017 0.000 2.500 310 S HA -0.116 4.357 4.470 0.006 0.000 0.239 310 S C 1.681 176.231 174.600 -0.083 0.000 0.989 310 S CA 0.943 59.116 58.200 -0.044 0.000 0.951 310 S CB -0.465 62.706 63.200 -0.048 0.000 0.759 310 S HN 0.620 nan 8.310 nan 0.000 0.523 311 K N -0.432 119.934 120.400 -0.056 0.000 2.477 311 K HA 0.332 4.655 4.320 0.006 0.000 0.208 311 K C 1.185 177.732 176.600 -0.088 0.000 1.117 311 K CA -0.109 56.137 56.287 -0.069 0.000 1.039 311 K CB 0.104 32.587 32.500 -0.027 0.000 0.937 311 K HN 0.195 nan 8.250 nan 0.000 0.570 312 L N 2.421 123.581 121.223 -0.106 0.000 2.043 312 L HA -0.183 4.160 4.340 0.006 0.000 0.212 312 L C 2.407 179.183 176.870 -0.157 0.000 1.075 312 L CA 1.853 56.617 54.840 -0.126 0.000 0.752 312 L CB -0.359 41.587 42.059 -0.188 0.000 0.891 312 L HN 0.116 nan 8.230 nan 0.000 0.432 313 R N -0.308 119.948 120.500 -0.408 0.000 2.094 313 R HA -0.239 4.105 4.340 0.006 0.000 0.239 313 R C 2.182 178.338 176.300 -0.239 0.000 1.137 313 R CA 2.149 57.817 56.100 -0.721 0.000 0.943 313 R CB -0.382 29.297 30.300 -1.034 0.000 0.850 313 R HN 0.784 nan 8.270 nan 0.000 0.433 314 E N 0.249 120.355 120.200 -0.158 0.000 2.006 314 E HA -0.158 4.195 4.350 0.006 0.000 0.192 314 E C 1.956 178.541 176.600 -0.024 0.000 0.993 314 E CA 1.572 57.933 56.400 -0.065 0.000 0.808 314 E CB -0.498 29.176 29.700 -0.044 0.000 0.764 314 E HN 0.401 nan 8.360 nan 0.000 0.449 315 S N 1.112 116.796 115.700 -0.026 0.000 2.365 315 S HA -0.192 4.281 4.470 0.006 0.000 0.225 315 S C 1.348 175.954 174.600 0.009 0.000 1.039 315 S CA 1.421 59.619 58.200 -0.004 0.000 1.033 315 S CB -0.314 62.885 63.200 -0.001 0.000 0.887 315 S HN 0.263 nan 8.310 nan 0.000 0.447 316 N N 0.340 119.042 118.700 0.004 0.000 2.733 316 N HA 0.118 4.862 4.740 0.006 0.000 0.271 316 N C 0.269 175.811 175.510 0.055 0.000 1.720 316 N CA -0.314 52.748 53.050 0.019 0.000 0.803 316 N CB 0.057 38.535 38.487 -0.015 0.000 1.208 316 N HN 0.531 nan 8.380 nan 0.000 0.498 317 H N 0.525 119.597 119.070 0.005 0.000 2.489 317 H HA -0.127 4.432 4.556 0.006 0.000 0.293 317 H C 1.267 176.703 175.328 0.179 0.000 1.066 317 H CA 1.546 57.632 56.048 0.064 0.000 1.305 317 H CB 0.726 30.518 29.762 0.051 0.000 1.386 317 H HN 0.423 nan 8.280 nan 0.000 0.551 318 Q N 1.646 121.499 119.800 0.088 0.000 2.030 318 Q HA -0.182 4.161 4.340 0.006 0.000 0.204 318 Q C 2.593 178.645 176.000 0.087 0.000 0.986 318 Q CA 2.194 58.053 55.803 0.092 0.000 0.843 318 Q CB -0.398 28.360 28.738 0.034 0.000 0.904 318 Q HN 0.440 nan 8.270 nan 0.000 0.420 319 R N -1.478 118.996 120.500 -0.043 0.000 2.115 319 R HA -0.131 4.212 4.340 0.006 0.000 0.226 319 R C 2.187 178.330 176.300 -0.260 0.000 1.100 319 R CA 1.035 56.997 56.100 -0.231 0.000 0.980 319 R CB -0.523 29.529 30.300 -0.414 0.000 0.875 319 R HN 0.415 nan 8.270 nan 0.000 0.445 320 Y N 1.060 121.199 120.300 -0.268 0.000 2.069 320 Y HA -0.303 4.251 4.550 0.006 0.000 0.278 320 Y C 1.830 177.650 175.900 -0.132 0.000 1.175 320 Y CA 1.928 59.913 58.100 -0.191 0.000 1.134 320 Y CB -0.146 38.235 38.460 -0.133 0.000 0.965 320 Y HN 0.031 nan 8.280 nan 0.000 0.498 321 I N -0.794 119.710 120.570 -0.110 0.000 2.315 321 I HA -0.262 3.911 4.170 0.006 0.000 0.248 321 I C 2.497 178.443 176.117 -0.285 0.000 1.117 321 I CA 1.533 62.672 61.300 -0.269 0.000 1.404 321 I CB -1.617 36.113 38.000 -0.449 0.000 1.071 321 I HN 0.203 nan 8.210 nan 0.000 0.419 322 S N -0.273 115.380 115.700 -0.078 0.000 2.382 322 S HA -0.148 4.325 4.470 0.006 0.000 0.228 322 S C 2.022 176.760 174.600 0.230 0.000 1.027 322 S CA 1.023 59.299 58.200 0.128 0.000 0.991 322 S CB -0.328 63.066 63.200 0.324 0.000 0.823 322 S HN 0.440 nan 8.310 nan 0.000 0.469 323 Y N 1.494 121.760 120.300 -0.058 0.000 2.439 323 Y HA -0.035 4.519 4.550 0.006 0.000 0.292 323 Y C 2.684 178.527 175.900 -0.095 0.000 1.130 323 Y CA 0.353 58.418 58.100 -0.057 0.000 1.254 323 Y CB -0.081 38.349 38.460 -0.050 0.000 1.000 323 Y HN 0.368 nan 8.280 nan 0.000 0.554 324 N N 1.009 119.708 118.700 -0.003 0.000 2.207 324 N HA -0.141 4.602 4.740 0.006 0.000 0.182 324 N C 1.712 177.240 175.510 0.029 0.000 1.020 324 N CA 0.836 53.858 53.050 -0.046 0.000 0.858 324 N CB -0.064 38.344 38.487 -0.131 0.000 0.991 324 N HN 0.311 nan 8.380 nan 0.000 0.427 325 I N 1.182 121.749 120.570 -0.005 0.000 2.226 325 I HA -0.262 3.912 4.170 0.006 0.000 0.245 325 I C 2.232 178.400 176.117 0.086 0.000 1.100 325 I CA 0.931 62.248 61.300 0.029 0.000 1.374 325 I CB -0.205 37.710 38.000 -0.142 0.000 1.057 325 I HN 0.147 nan 8.210 nan 0.000 0.413 326 I N 0.896 121.499 120.570 0.054 0.000 2.142 326 I HA -0.290 3.884 4.170 0.006 0.000 0.240 326 I C 2.831 178.988 176.117 0.067 0.000 1.078 326 I CA 1.401 62.743 61.300 0.069 0.000 1.343 326 I CB -0.533 37.468 38.000 0.001 0.000 1.046 326 I HN 0.171 nan 8.210 nan 0.000 0.405 327 A N 0.266 123.093 122.820 0.013 0.000 2.032 327 A HA -0.181 4.142 4.320 0.006 0.000 0.221 327 A C 2.406 180.024 177.584 0.056 0.000 1.165 327 A CA 1.920 53.948 52.037 -0.016 0.000 0.645 327 A CB -0.927 18.061 19.000 -0.020 0.000 0.807 327 A HN 0.302 nan 8.150 nan 0.000 0.453 328 V N -1.915 118.097 119.914 0.162 0.000 2.407 328 V HA -0.188 3.936 4.120 0.006 0.000 0.245 328 V C 2.293 178.557 176.094 0.285 0.000 1.041 328 V CA 1.807 64.253 62.300 0.243 0.000 1.040 328 V CB -0.848 31.199 31.823 0.373 0.000 0.671 328 V HN 0.715 nan 8.190 nan 0.000 0.455 329 Y N 1.246 121.680 120.300 0.224 0.000 2.242 329 Y HA -0.106 4.447 4.550 0.005 0.000 0.291 329 Y C 2.660 178.563 175.900 0.006 0.000 1.137 329 Y CA 1.201 59.407 58.100 0.177 0.000 1.181 329 Y CB -0.302 38.223 38.460 0.110 0.000 0.989 329 Y HN 0.061 nan 8.280 nan 0.000 0.527 330 R N -0.107 120.334 120.500 -0.099 0.000 2.097 330 R HA -0.177 4.166 4.340 0.006 0.000 0.236 330 R C 2.325 178.453 176.300 -0.286 0.000 1.135 330 R CA 1.768 57.714 56.100 -0.256 0.000 0.934 330 R CB -1.355 28.819 30.300 -0.210 0.000 0.846 330 R HN 0.328 nan 8.270 nan 0.000 0.431 331 V N 1.861 121.652 119.914 -0.204 0.000 2.380 331 V HA -0.238 3.885 4.120 0.006 0.000 0.251 331 V C 2.539 178.438 176.094 -0.326 0.000 1.063 331 V CA 1.628 63.778 62.300 -0.250 0.000 1.055 331 V CB -0.516 31.250 31.823 -0.095 0.000 0.657 331 V HN 0.243 nan 8.190 nan 0.000 0.455 332 L N -0.587 120.493 121.223 -0.238 0.000 2.093 332 L HA -0.217 4.126 4.340 0.006 0.000 0.208 332 L C 2.711 179.417 176.870 -0.274 0.000 1.085 332 L CA 1.565 56.272 54.840 -0.222 0.000 0.755 332 L CB -0.592 41.375 42.059 -0.153 0.000 0.904 332 L HN 0.398 nan 8.230 nan 0.000 0.435 333 Q N -0.082 119.460 119.800 -0.430 0.000 2.079 333 Q HA -0.163 4.181 4.340 0.006 0.000 0.200 333 Q C 2.332 178.191 176.000 -0.236 0.000 0.974 333 Q CA 1.302 56.874 55.803 -0.385 0.000 0.840 333 Q CB -0.089 28.340 28.738 -0.515 0.000 0.898 333 Q HN 0.537 nan 8.270 nan 0.000 0.430 334 I N 1.101 121.522 120.570 -0.248 0.000 2.179 334 I HA -0.269 3.904 4.170 0.006 0.000 0.242 334 I C 2.081 178.102 176.117 -0.159 0.000 1.088 334 I CA 1.363 62.562 61.300 -0.168 0.000 1.357 334 I CB -0.258 37.648 38.000 -0.157 0.000 1.051 334 I HN 0.203 nan 8.210 nan 0.000 0.409 335 D N 1.021 121.282 120.400 -0.232 0.000 2.144 335 D HA -0.166 4.477 4.640 0.006 0.000 0.199 335 D C 2.127 178.384 176.300 -0.071 0.000 0.984 335 D CA 1.426 55.359 54.000 -0.111 0.000 0.834 335 D CB 0.077 40.819 40.800 -0.096 0.000 0.955 335 D HN 0.296 nan 8.370 nan 0.000 0.465 336 A N 0.170 122.941 122.820 -0.082 0.000 2.019 336 A HA -0.170 4.153 4.320 0.006 0.000 0.219 336 A C 2.099 179.637 177.584 -0.077 0.000 1.164 336 A CA 1.611 53.616 52.037 -0.053 0.000 0.644 336 A CB -0.508 18.471 19.000 -0.036 0.000 0.805 336 A HN 0.280 nan 8.150 nan 0.000 0.449 337 K N -1.417 118.921 120.400 -0.103 0.000 2.128 337 K HA 0.012 4.336 4.320 0.006 0.000 0.202 337 K C 2.010 178.521 176.600 -0.147 0.000 1.050 337 K CA 0.315 56.531 56.287 -0.118 0.000 0.966 337 K CB -0.053 32.388 32.500 -0.098 0.000 0.759 337 K HN 0.203 nan 8.250 nan 0.000 0.454 338 R N 0.704 121.072 120.500 -0.221 0.000 2.140 338 R HA 0.073 4.416 4.340 0.006 0.000 0.213 338 R C 0.276 176.318 176.300 -0.429 0.000 1.059 338 R CA 0.529 56.356 56.100 -0.455 0.000 1.000 338 R CB -0.138 29.601 30.300 -0.934 0.000 0.910 338 R HN 0.357 nan 8.270 nan 0.000 0.455 339 Q N -0.218 119.448 119.800 -0.223 0.000 2.468 339 Q HA -0.176 4.167 4.340 0.006 0.000 0.289 339 Q C -0.033 176.038 176.000 0.119 0.000 1.299 339 Q CA 0.252 56.032 55.803 -0.038 0.000 0.838 339 Q CB -1.411 27.301 28.738 -0.043 0.000 1.195 339 Q HN 0.173 nan 8.270 nan 0.000 0.456 340 F N -0.908 119.161 119.950 0.198 0.000 2.325 340 F HA 0.004 4.535 4.527 0.006 0.000 0.299 340 F C 2.004 177.843 175.800 0.066 0.000 1.090 340 F CA 0.509 58.575 58.000 0.110 0.000 1.392 340 F CB -0.201 38.873 39.000 0.123 0.000 1.053 340 F HN 0.262 nan 8.300 nan 0.000 0.521 341 I N -0.106 120.663 120.570 0.332 0.000 2.286 341 I HA -0.282 3.892 4.170 0.006 0.000 0.245 341 I C 2.326 178.516 176.117 0.122 0.000 1.104 341 I CA 1.277 62.709 61.300 0.221 0.000 1.397 341 I CB -0.422 37.739 38.000 0.269 0.000 1.072 341 I HN 0.109 nan 8.210 nan 0.000 0.417 342 N N 1.507 120.269 118.700 0.104 0.000 2.069 342 N HA -0.252 4.492 4.740 0.006 0.000 0.191 342 N C 1.873 177.399 175.510 0.026 0.000 1.031 342 N CA 1.456 54.542 53.050 0.060 0.000 0.852 342 N CB -0.241 38.249 38.487 0.005 0.000 1.018 342 N HN 0.196 nan 8.380 nan 0.000 0.423 343 L N 0.362 121.574 121.223 -0.019 0.000 2.012 343 L HA -0.088 4.256 4.340 0.006 0.000 0.210 343 L C 2.082 178.839 176.870 -0.188 0.000 1.073 343 L CA 1.796 56.549 54.840 -0.145 0.000 0.748 343 L CB -1.086 40.819 42.059 -0.257 0.000 0.891 343 L HN 0.157 nan 8.230 nan 0.000 0.431 344 S N -0.281 115.330 115.700 -0.148 0.000 2.356 344 S HA -0.163 4.310 4.470 0.006 0.000 0.223 344 S C 1.923 176.413 174.600 -0.184 0.000 1.032 344 S CA 1.768 59.865 58.200 -0.171 0.000 1.005 344 S CB -0.564 62.565 63.200 -0.119 0.000 0.867 344 S HN 0.474 nan 8.310 nan 0.000 0.449 345 L N 1.242 122.390 121.223 -0.125 0.000 1.994 345 L HA -0.184 4.159 4.340 0.006 0.000 0.208 345 L C 2.318 179.070 176.870 -0.197 0.000 1.071 345 L CA 1.434 56.137 54.840 -0.228 0.000 0.745 345 L CB -0.904 41.133 42.059 -0.038 0.000 0.892 345 L HN 0.181 nan 8.230 nan 0.000 0.431 346 D N -0.111 120.299 120.400 0.016 0.000 2.177 346 D HA -0.278 4.365 4.640 0.006 0.000 0.189 346 D C 2.284 178.591 176.300 0.013 0.000 1.002 346 D CA 1.757 55.813 54.000 0.094 0.000 0.845 346 D CB -0.149 40.673 40.800 0.037 0.000 0.960 346 D HN 0.177 nan 8.370 nan 0.000 0.447 347 M N -0.274 119.267 119.600 -0.098 0.000 2.086 347 M HA -0.097 4.387 4.480 0.006 0.000 0.261 347 M C 2.300 178.549 176.300 -0.085 0.000 1.067 347 M CA 1.806 57.038 55.300 -0.113 0.000 1.116 347 M CB -0.538 31.944 32.600 -0.196 0.000 1.348 347 M HN 0.144 nan 8.290 nan 0.000 0.407 348 G N -0.771 107.908 108.800 -0.202 0.000 2.459 348 G HA2 -0.252 3.711 3.960 0.006 0.000 0.217 348 G HA3 -0.252 3.711 3.960 0.006 0.000 0.217 348 G C 1.014 175.781 174.900 -0.221 0.000 1.183 348 G CA 0.932 45.870 45.100 -0.271 0.000 0.776 348 G HN 0.396 nan 8.290 nan 0.000 0.552 349 Y N -1.066 119.152 120.300 -0.136 0.000 2.439 349 Y HA 0.070 4.623 4.550 0.005 0.000 0.292 349 Y C 2.311 178.206 175.900 -0.008 0.000 1.130 349 Y CA 0.190 58.200 58.100 -0.149 0.000 1.254 349 Y CB -0.575 37.642 38.460 -0.405 0.000 1.000 349 Y HN 0.355 nan 8.280 nan 0.000 0.554 350 Y N 0.020 120.342 120.300 0.036 0.000 2.220 350 Y HA -0.078 4.475 4.550 0.006 0.000 0.291 350 Y C 2.336 178.231 175.900 -0.008 0.000 1.129 350 Y CA 1.394 59.504 58.100 0.017 0.000 1.161 350 Y CB -0.282 38.161 38.460 -0.028 0.000 0.997 350 Y HN -0.006 nan 8.280 nan 0.000 0.522 351 A N -0.178 122.700 122.820 0.096 0.000 2.081 351 A HA 0.108 4.432 4.320 0.006 0.000 0.214 351 A C 0.761 178.354 177.584 0.014 0.000 1.158 351 A CA 0.602 52.649 52.037 0.016 0.000 0.724 351 A CB -0.271 18.741 19.000 0.021 0.000 0.826 351 A HN 0.410 nan 8.150 nan 0.000 0.463 352 K N -0.456 119.986 120.400 0.069 0.000 3.353 352 K HA -0.134 4.190 4.320 0.006 0.000 0.272 352 K C -0.429 176.183 176.600 0.019 0.000 1.071 352 K CA 0.920 57.273 56.287 0.110 0.000 0.789 352 K CB -2.257 30.274 32.500 0.051 0.000 1.325 352 K HN 0.803 nan 8.250 nan 0.000 0.464 353 I N -3.647 116.934 120.570 0.018 0.000 3.239 353 I HA 0.341 4.514 4.170 0.006 0.000 0.314 353 I C -0.109 175.973 176.117 -0.057 0.000 1.126 353 I CA -1.574 59.703 61.300 -0.039 0.000 0.973 353 I CB 1.427 39.419 38.000 -0.013 0.000 1.252 353 I HN -0.010 nan 8.210 nan 0.000 0.463 354 Q N 1.315 121.073 119.800 -0.071 0.000 2.364 354 Q HA 0.208 4.552 4.340 0.006 0.000 0.267 354 Q C 0.862 176.825 176.000 -0.063 0.000 0.999 354 Q CA -0.531 55.243 55.803 -0.047 0.000 0.886 354 Q CB 1.416 30.116 28.738 -0.063 0.000 1.243 354 Q HN 0.485 nan 8.270 nan 0.000 0.415 355 I N 2.222 122.744 120.570 -0.080 0.000 2.151 355 I HA -0.349 3.824 4.170 0.006 0.000 0.243 355 I C 2.477 178.499 176.117 -0.158 0.000 1.080 355 I CA 1.662 62.862 61.300 -0.166 0.000 1.339 355 I CB -1.497 36.397 38.000 -0.176 0.000 1.039 355 I HN 0.796 nan 8.210 nan 0.000 0.409 356 Q N 0.544 120.285 119.800 -0.099 0.000 2.368 356 Q HA -0.159 4.185 4.340 0.006 0.000 0.210 356 Q C 1.856 177.816 176.000 -0.066 0.000 0.982 356 Q CA 1.690 57.446 55.803 -0.078 0.000 0.884 356 Q CB -0.887 27.872 28.738 0.036 0.000 0.933 356 Q HN 0.354 nan 8.270 nan 0.000 0.460 357 S N 1.236 116.897 115.700 -0.065 0.000 2.507 357 S HA -0.048 4.425 4.470 0.006 0.000 0.235 357 S C 1.844 176.416 174.600 -0.047 0.000 0.988 357 S CA 0.862 59.046 58.200 -0.027 0.000 0.944 357 S CB -0.321 62.863 63.200 -0.027 0.000 0.762 357 S HN 0.534 nan 8.310 nan 0.000 0.526 358 V N -1.419 118.405 119.914 -0.151 0.000 3.330 358 V HA -0.029 4.095 4.120 0.006 0.000 0.273 358 V C 1.396 177.450 176.094 -0.067 0.000 1.179 358 V CA 1.362 63.581 62.300 -0.134 0.000 1.174 358 V CB -1.293 30.420 31.823 -0.183 0.000 0.794 358 V HN 0.353 nan 8.190 nan 0.000 0.527 359 F N 1.118 121.057 119.950 -0.018 0.000 2.710 359 F HA 0.320 4.850 4.527 0.006 0.000 0.298 359 F C 1.671 177.427 175.800 -0.073 0.000 1.137 359 F CA 0.656 58.600 58.000 -0.094 0.000 1.444 359 F CB -0.120 38.796 39.000 -0.140 0.000 1.111 359 F HN 0.274 nan 8.300 nan 0.000 0.580 360 S N 1.945 117.725 115.700 0.133 0.000 2.601 360 S HA 0.281 4.755 4.470 0.006 0.000 0.312 360 S C -1.501 173.154 174.600 0.092 0.000 1.107 360 S CA -1.636 56.617 58.200 0.088 0.000 1.129 360 S CB 0.949 64.189 63.200 0.067 0.000 0.982 360 S HN -0.136 nan 8.310 nan 0.000 0.469 361 P HA -0.040 nan 4.420 nan 0.000 0.221 361 P C 1.468 178.919 177.300 0.252 0.000 1.150 361 P CA 0.774 63.968 63.100 0.157 0.000 0.800 361 P CB 0.156 31.967 31.700 0.186 0.000 0.787 362 I N 0.359 121.048 120.570 0.199 0.000 2.202 362 I HA -0.205 3.968 4.170 0.006 0.000 0.242 362 I C 2.768 179.109 176.117 0.372 0.000 1.091 362 I CA 1.553 63.025 61.300 0.286 0.000 1.368 362 I CB -0.459 37.698 38.000 0.262 0.000 1.058 362 I HN -0.047 nan 8.210 nan 0.000 0.410 363 K N 0.473 121.009 120.400 0.228 0.000 2.155 363 K HA -0.121 4.203 4.320 0.006 0.000 0.203 363 K C 1.993 178.701 176.600 0.179 0.000 1.052 363 K CA 1.442 57.842 56.287 0.188 0.000 0.948 363 K CB 0.029 32.587 32.500 0.097 0.000 0.728 363 K HN 0.167 nan 8.250 nan 0.000 0.448 364 T N -0.225 114.405 114.554 0.126 0.000 2.708 364 T HA -0.141 4.212 4.350 0.006 0.000 0.266 364 T C 1.132 175.862 174.700 0.050 0.000 1.037 364 T CA 1.582 63.689 62.100 0.012 0.000 1.146 364 T CB -0.270 68.519 68.868 -0.133 0.000 0.865 364 T HN 0.438 nan 8.240 nan 0.000 0.435 365 W N 1.145 122.581 121.300 0.227 0.000 2.467 365 W HA 0.027 4.690 4.660 0.005 0.000 0.275 365 W C 2.223 178.957 176.519 0.358 0.000 1.239 365 W CA 0.125 57.645 57.345 0.293 0.000 1.266 365 W CB -0.122 29.533 29.460 0.325 0.000 1.112 365 W HN 0.238 nan 8.180 nan 0.000 0.576 366 D N 0.042 120.804 120.400 0.602 0.000 2.144 366 D HA -0.158 4.486 4.640 0.006 0.000 0.200 366 D C 2.197 178.743 176.300 0.411 0.000 0.978 366 D CA 1.828 56.109 54.000 0.469 0.000 0.833 366 D CB -0.322 40.673 40.800 0.324 0.000 0.961 366 D HN 0.004 nan 8.370 nan 0.000 0.470 367 A N 0.180 123.200 122.820 0.333 0.000 1.877 367 A HA -0.106 4.217 4.320 0.006 0.000 0.216 367 A C 2.458 180.190 177.584 0.246 0.000 1.186 367 A CA 1.206 53.428 52.037 0.309 0.000 0.620 367 A CB -0.785 18.324 19.000 0.182 0.000 0.822 367 A HN 0.324 nan 8.150 nan 0.000 0.443 368 I N -0.296 120.402 120.570 0.215 0.000 2.090 368 I HA -0.276 3.898 4.170 0.006 0.000 0.236 368 I C 2.361 178.612 176.117 0.223 0.000 1.064 368 I CA 1.616 63.018 61.300 0.171 0.000 1.324 368 I CB -0.405 37.723 38.000 0.214 0.000 1.044 368 I HN 0.291 nan 8.210 nan 0.000 0.399 369 I N 0.313 121.092 120.570 0.348 0.000 2.248 369 I HA -0.368 3.806 4.170 0.006 0.000 0.248 369 I C 2.537 178.799 176.117 0.242 0.000 1.107 369 I CA 1.810 63.255 61.300 0.242 0.000 1.373 369 I CB -0.429 37.677 38.000 0.177 0.000 1.055 369 I HN 0.259 nan 8.210 nan 0.000 0.418 370 F N 1.930 121.980 119.950 0.167 0.000 2.075 370 F HA -0.281 4.249 4.527 0.006 0.000 0.297 370 F C 2.497 178.352 175.800 0.092 0.000 1.113 370 F CA 1.638 59.718 58.000 0.134 0.000 1.218 370 F CB -0.263 38.815 39.000 0.130 0.000 0.984 370 F HN 0.071 nan 8.300 nan 0.000 0.472 371 N N 0.278 118.719 118.700 -0.433 0.000 2.069 371 N HA -0.224 4.520 4.740 0.006 0.000 0.191 371 N C 2.071 177.441 175.510 -0.234 0.000 1.031 371 N CA 1.579 54.314 53.050 -0.525 0.000 0.852 371 N CB -0.716 37.574 38.487 -0.329 0.000 1.018 371 N HN 0.317 nan 8.380 nan 0.000 0.423 372 S N 0.778 116.422 115.700 -0.093 0.000 2.400 372 S HA 0.002 4.475 4.470 0.006 0.000 0.232 372 S C 2.012 176.599 174.600 -0.023 0.000 1.025 372 S CA 0.678 58.856 58.200 -0.037 0.000 0.993 372 S CB -0.068 63.142 63.200 0.016 0.000 0.808 372 S HN 0.217 nan 8.310 nan 0.000 0.478 373 L N 0.621 121.846 121.223 0.002 0.000 2.127 373 L HA 0.048 4.391 4.340 0.006 0.000 0.203 373 L C 2.592 179.482 176.870 0.032 0.000 1.080 373 L CA 1.142 56.004 54.840 0.035 0.000 0.768 373 L CB -0.523 41.596 42.059 0.100 0.000 0.924 373 L HN 0.282 nan 8.230 nan 0.000 0.444 374 K N 0.332 120.733 120.400 0.001 0.000 2.113 374 K HA -0.230 4.093 4.320 0.006 0.000 0.208 374 K C 2.000 178.606 176.600 0.010 0.000 1.047 374 K CA 1.407 57.705 56.287 0.018 0.000 0.928 374 K CB 0.111 32.527 32.500 -0.140 0.000 0.716 374 K HN 0.198 nan 8.250 nan 0.000 0.446 375 E N 0.941 121.123 120.200 -0.030 0.000 2.033 375 E HA -0.232 4.122 4.350 0.006 0.000 0.199 375 E C 1.788 178.388 176.600 -0.001 0.000 1.011 375 E CA 1.532 57.922 56.400 -0.015 0.000 0.815 375 E CB -0.259 29.427 29.700 -0.024 0.000 0.755 375 E HN 0.522 nan 8.360 nan 0.000 0.451 376 Q N 0.663 120.463 119.800 0.000 0.000 2.491 376 Q HA 0.002 4.345 4.340 0.006 0.000 0.214 376 Q C -0.297 175.709 176.000 0.010 0.000 0.970 376 Q CA -0.152 55.651 55.803 -0.000 0.000 0.960 376 Q CB -0.088 28.648 28.738 -0.004 0.000 0.996 376 Q HN 0.198 nan 8.270 nan 0.000 0.524 377 N N 1.266 119.979 118.700 0.021 0.000 2.758 377 N HA -0.147 4.596 4.740 0.006 0.000 0.248 377 N C -1.077 174.483 175.510 0.083 0.000 1.076 377 N CA 1.166 54.231 53.050 0.025 0.000 0.696 377 N CB -0.681 37.762 38.487 -0.073 0.000 0.979 377 N HN 0.375 nan 8.380 nan 0.000 0.550 378 K N -0.312 120.136 120.400 0.080 0.000 2.185 378 K HA 0.668 4.992 4.320 0.006 0.000 0.240 378 K C 0.091 176.683 176.600 -0.013 0.000 0.983 378 K CA -0.780 55.550 56.287 0.072 0.000 0.873 378 K CB 1.827 34.359 32.500 0.055 0.000 1.118 378 K HN -0.154 nan 8.250 nan 0.000 0.441 379 V N 3.192 123.050 119.914 -0.094 0.000 2.357 379 V HA 0.265 4.389 4.120 0.006 0.000 0.284 379 V C 0.290 176.340 176.094 -0.075 0.000 1.018 379 V CA -0.986 61.149 62.300 -0.275 0.000 0.841 379 V CB 0.745 32.254 31.823 -0.525 0.000 0.991 379 V HN 0.674 nan 8.190 nan 0.000 0.437 380 I N 4.286 124.852 120.570 -0.007 0.000 2.836 380 I HA 0.415 4.588 4.170 0.006 0.000 0.285 380 I C -2.003 174.115 176.117 0.001 0.000 1.174 380 I CA -1.421 59.920 61.300 0.068 0.000 1.405 380 I CB 0.747 38.809 38.000 0.104 0.000 1.385 380 I HN 0.371 nan 8.210 nan 0.000 0.594 381 P HA 0.077 nan 4.420 nan 0.000 0.276 381 P C -1.294 175.956 177.300 -0.084 0.000 1.261 381 P CA -0.337 62.764 63.100 0.000 0.000 0.800 381 P CB 0.780 32.526 31.700 0.076 0.000 1.066 382 Q N 0.277 120.052 119.800 -0.041 0.000 2.299 382 Q HA 0.409 4.752 4.340 0.006 0.000 0.246 382 Q C 0.252 176.201 176.000 -0.085 0.000 0.935 382 Q CA -0.632 55.135 55.803 -0.061 0.000 0.887 382 Q CB 0.389 29.109 28.738 -0.031 0.000 1.223 382 Q HN 0.584 nan 8.270 nan 0.000 0.439 383 G N 3.380 112.124 108.800 -0.093 0.000 2.343 383 G HA2 0.207 4.170 3.960 0.006 0.000 0.254 383 G HA3 0.207 4.170 3.960 0.006 0.000 0.254 383 G C -0.649 174.218 174.900 -0.054 0.000 1.277 383 G CA -0.364 44.693 45.100 -0.071 0.000 0.909 383 G HN 0.628 nan 8.290 nan 0.000 0.502 384 R N 0.948 121.424 120.500 -0.040 0.000 2.828 384 R HA 0.593 4.936 4.340 0.006 0.000 0.264 384 R C 0.124 176.264 176.300 -0.267 0.000 1.022 384 R CA -0.719 55.286 56.100 -0.159 0.000 1.021 384 R CB 1.759 31.927 30.300 -0.220 0.000 1.163 384 R HN 0.631 nan 8.270 nan 0.000 0.494 385 S N 0.247 115.709 115.700 -0.398 0.000 2.578 385 S HA 0.497 4.971 4.470 0.006 0.000 0.283 385 S C -0.679 173.535 174.600 -0.643 0.000 1.195 385 S CA -0.747 57.200 58.200 -0.423 0.000 1.050 385 S CB 0.986 64.009 63.200 -0.296 0.000 1.012 385 S HN 0.632 nan 8.310 nan 0.000 0.511 386 H N 0.306 119.135 119.070 -0.400 0.000 2.961 386 H HA 0.647 5.207 4.556 0.006 0.000 0.371 386 H C -2.624 172.509 175.328 -0.324 0.000 1.190 386 H CA -1.318 54.541 56.048 -0.315 0.000 1.138 386 H CB 1.271 30.796 29.762 -0.395 0.000 1.816 386 H HN 0.583 nan 8.280 nan 0.000 0.551 387 P HA 0.163 nan 4.420 nan 0.000 0.284 387 P C -0.407 176.858 177.300 -0.058 0.000 1.253 387 P CA -0.546 62.510 63.100 -0.073 0.000 0.800 387 P CB 1.337 33.022 31.700 -0.026 0.000 0.961 388 V N 2.989 122.866 119.914 -0.062 0.000 2.788 388 V HA 0.060 4.184 4.120 0.006 0.000 0.307 388 V C 0.615 176.742 176.094 0.054 0.000 1.069 388 V CA 0.685 62.977 62.300 -0.014 0.000 1.173 388 V CB -0.144 31.683 31.823 0.007 0.000 0.925 388 V HN 0.735 nan 8.190 nan 0.000 0.492 389 Q N 4.507 124.377 119.800 0.116 0.000 2.327 389 Q HA 0.440 4.783 4.340 0.006 0.000 0.265 389 Q C -2.900 173.222 176.000 0.204 0.000 0.993 389 Q CA -1.347 54.538 55.803 0.137 0.000 0.885 389 Q CB 2.525 31.343 28.738 0.134 0.000 1.379 389 Q HN 0.575 nan 8.270 nan 0.000 0.408 390 P HA 0.237 nan 4.420 nan 0.000 0.272 390 P C -1.732 175.728 177.300 0.265 0.000 1.240 390 P CA 0.214 63.411 63.100 0.162 0.000 0.791 390 P CB 0.161 31.909 31.700 0.080 0.000 0.978 391 Y N -1.693 118.638 120.300 0.051 0.000 2.521 391 Y HA 0.476 5.029 4.550 0.006 0.000 0.326 391 Y C -2.941 172.997 175.900 0.064 0.000 1.176 391 Y CA -2.543 55.584 58.100 0.045 0.000 1.079 391 Y CB -0.535 37.942 38.460 0.027 0.000 1.341 391 Y HN 0.261 nan 8.280 nan 0.000 0.456 392 P HA 0.363 nan 4.420 nan 0.000 0.267 392 P C -0.099 177.234 177.300 0.055 0.000 1.200 392 P CA 0.530 63.666 63.100 0.060 0.000 0.772 392 P CB 1.520 33.283 31.700 0.105 0.000 0.855 393 G N 0.378 109.205 108.800 0.045 0.000 3.414 393 G HA2 0.590 4.553 3.960 0.006 0.000 0.189 393 G HA3 0.590 4.553 3.960 0.006 0.000 0.189 393 G C -0.500 174.508 174.900 0.179 0.000 1.329 393 G CA -0.025 45.143 45.100 0.113 0.000 0.851 393 G HN 0.768 nan 8.290 nan 0.000 0.671 394 A N -0.838 122.107 122.820 0.209 0.000 2.296 394 A HA 0.618 4.942 4.320 0.006 0.000 0.264 394 A C -0.925 176.791 177.584 0.219 0.000 1.097 394 A CA -0.313 51.875 52.037 0.252 0.000 0.811 394 A CB 0.452 19.595 19.000 0.238 0.000 1.072 394 A HN 0.723 nan 8.150 nan 0.000 0.495 395 F N 0.629 120.658 119.950 0.131 0.000 2.425 395 F HA 0.610 5.140 4.527 0.005 0.000 0.331 395 F C -0.588 175.259 175.800 0.079 0.000 1.085 395 F CA -0.643 57.417 58.000 0.100 0.000 1.028 395 F CB 1.726 40.785 39.000 0.098 0.000 1.177 395 F HN 0.253 nan 8.300 nan 0.000 0.487 396 V N 5.851 125.075 119.914 -1.150 0.000 2.532 396 V HA 0.218 4.342 4.120 0.006 0.000 0.294 396 V C -0.380 175.198 176.094 -0.859 0.000 1.036 396 V CA -1.257 60.632 62.300 -0.685 0.000 0.876 396 V CB 1.371 33.042 31.823 -0.254 0.000 1.012 396 V HN 0.779 nan 8.190 nan 0.000 0.432 397 K N 2.659 122.791 120.400 -0.447 0.000 2.485 397 K HA 0.108 4.432 4.320 0.006 0.000 0.277 397 K C 0.136 176.795 176.600 0.097 0.000 0.990 397 K CA -0.055 56.227 56.287 -0.007 0.000 0.994 397 K CB 0.720 33.340 32.500 0.200 0.000 0.906 397 K HN 0.751 nan 8.250 nan 0.000 0.488 398 E N 5.783 126.049 120.200 0.111 0.000 2.223 398 E HA 0.189 4.542 4.350 0.006 0.000 0.282 398 E C -2.299 174.372 176.600 0.119 0.000 1.046 398 E CA -1.946 54.522 56.400 0.114 0.000 0.857 398 E CB 0.828 30.581 29.700 0.088 0.000 1.055 398 E HN 0.304 nan 8.360 nan 0.000 0.409 399 P HA 0.298 nan 4.420 nan 0.000 0.285 399 P C -0.563 176.742 177.300 0.008 0.000 1.269 399 P CA -0.529 62.554 63.100 -0.028 0.000 0.844 399 P CB 1.042 32.572 31.700 -0.283 0.000 1.094 400 I N 2.792 123.370 120.570 0.014 0.000 2.322 400 I HA 0.190 4.363 4.170 0.006 0.000 0.292 400 I C -1.999 174.199 176.117 0.135 0.000 1.060 400 I CA -2.152 59.193 61.300 0.075 0.000 1.309 400 I CB 0.382 38.432 38.000 0.084 0.000 1.415 400 I HN 0.118 nan 8.210 nan 0.000 0.492 401 P HA 0.120 nan 4.420 nan 0.000 0.266 401 P C -0.543 176.816 177.300 0.098 0.000 1.195 401 P CA 0.273 63.472 63.100 0.164 0.000 0.768 401 P CB 0.530 32.303 31.700 0.122 0.000 0.838 402 N N 0.111 118.867 118.700 0.093 0.000 4.149 402 N HA 0.054 4.797 4.740 0.006 0.000 0.231 402 N C -1.613 173.777 175.510 -0.201 0.000 1.279 402 N CA -0.719 52.256 53.050 -0.125 0.000 0.757 402 N CB 0.537 38.853 38.487 -0.285 0.000 1.534 402 N HN 0.303 nan 8.380 nan 0.000 0.414 403 R N -0.222 120.079 120.500 -0.332 0.000 2.607 403 R HA 0.689 5.032 4.340 0.006 0.000 0.261 403 R C -1.084 174.874 176.300 -0.570 0.000 1.051 403 R CA -0.314 55.686 56.100 -0.166 0.000 1.110 403 R CB 0.843 31.122 30.300 -0.035 0.000 1.158 403 R HN 0.519 nan 8.270 nan 0.000 0.543 404 Y N -0.386 120.068 120.300 0.256 0.000 2.301 404 Y HA 0.229 4.782 4.550 0.005 0.000 0.334 404 Y C 0.622 176.666 175.900 0.241 0.000 1.158 404 Y CA -0.886 57.354 58.100 0.233 0.000 1.266 404 Y CB 1.663 40.282 38.460 0.266 0.000 1.153 404 Y HN 0.746 nan 8.280 nan 0.000 0.453 405 K N 1.863 122.457 120.400 0.323 0.000 2.001 405 K HA -0.100 4.223 4.320 0.006 0.000 0.214 405 K C -0.556 176.184 176.600 0.233 0.000 1.050 405 K CA 1.747 58.205 56.287 0.285 0.000 0.934 405 K CB 0.070 32.805 32.500 0.392 0.000 0.718 405 K HN 0.612 nan 8.250 nan 0.000 0.443 406 Y N -0.269 120.099 120.300 0.114 0.000 2.364 406 Y HA 0.447 5.000 4.550 0.005 0.000 0.340 406 Y C -0.752 175.273 175.900 0.208 0.000 0.975 406 Y CA -1.386 56.772 58.100 0.097 0.000 1.089 406 Y CB 2.067 40.500 38.460 -0.045 0.000 1.192 406 Y HN -0.305 nan 8.280 nan 0.000 0.454 407 V N 4.856 124.993 119.914 0.371 0.000 2.808 407 V HA 0.415 4.538 4.120 0.006 0.000 0.308 407 V C -0.801 175.480 176.094 0.312 0.000 1.099 407 V CA -0.897 61.611 62.300 0.346 0.000 0.920 407 V CB 2.231 34.296 31.823 0.404 0.000 1.014 407 V HN 0.838 nan 8.190 nan 0.000 0.425 408 M N 4.159 123.921 119.600 0.270 0.000 2.326 408 M HA 0.669 5.152 4.480 0.006 0.000 0.306 408 M C -0.381 175.974 176.300 0.092 0.000 1.054 408 M CA -0.182 55.221 55.300 0.171 0.000 0.922 408 M CB 1.997 34.739 32.600 0.236 0.000 1.632 408 M HN 0.821 nan 8.290 nan 0.000 0.436 409 S N 3.276 118.881 115.700 -0.157 0.000 2.537 409 S HA 0.842 5.315 4.470 0.006 0.000 0.301 409 S C -1.098 173.229 174.600 -0.455 0.000 1.092 409 S CA -0.623 57.377 58.200 -0.334 0.000 1.048 409 S CB 1.282 64.105 63.200 -0.628 0.000 1.053 409 S HN 0.531 nan 8.310 nan 0.000 0.501 410 F N 0.689 120.488 119.950 -0.253 0.000 2.565 410 F HA 0.663 5.193 4.527 0.006 0.000 0.313 410 F C -0.058 175.656 175.800 -0.143 0.000 1.091 410 F CA -0.648 57.267 58.000 -0.141 0.000 0.915 410 F CB 2.211 41.160 39.000 -0.085 0.000 1.208 410 F HN 0.800 nan 8.300 nan 0.000 0.453 411 D N 1.268 121.706 120.400 0.064 0.000 2.531 411 D HA 0.657 5.300 4.640 0.006 0.000 0.244 411 D C -1.628 174.683 176.300 0.019 0.000 1.090 411 D CA -0.351 53.646 54.000 -0.005 0.000 0.989 411 D CB 1.787 42.565 40.800 -0.037 0.000 1.433 411 D HN 0.453 nan 8.370 nan 0.000 0.492 412 L N 0.917 122.095 121.223 -0.075 0.000 2.317 412 L HA 0.443 4.786 4.340 0.006 0.000 0.281 412 L C 0.159 177.031 176.870 0.003 0.000 1.024 412 L CA -0.765 54.039 54.840 -0.060 0.000 0.810 412 L CB 2.013 43.917 42.059 -0.258 0.000 1.240 412 L HN 0.388 nan 8.230 nan 0.000 0.427 413 T N 1.262 115.862 114.554 0.076 0.000 2.834 413 T HA -0.009 4.345 4.350 0.006 0.000 0.298 413 T C 0.605 175.358 174.700 0.089 0.000 0.966 413 T CA 0.162 62.338 62.100 0.128 0.000 1.141 413 T CB 0.716 69.728 68.868 0.241 0.000 0.905 413 T HN 0.728 nan 8.240 nan 0.000 0.535 414 S N 3.387 119.165 115.700 0.130 0.000 3.336 414 S HA -0.203 4.271 4.470 0.006 0.000 0.362 414 S C 1.007 175.625 174.600 0.029 0.000 0.941 414 S CA -0.087 58.163 58.200 0.084 0.000 1.297 414 S CB -1.361 61.888 63.200 0.081 0.000 0.915 414 S HN 0.635 nan 8.310 nan 0.000 0.527 415 F N 3.481 123.372 119.950 -0.098 0.000 2.005 415 F HA -0.171 4.360 4.527 0.006 0.000 0.297 415 F C 1.769 177.567 175.800 -0.003 0.000 1.175 415 F CA 2.480 60.436 58.000 -0.073 0.000 1.192 415 F CB -1.187 37.794 39.000 -0.031 0.000 0.953 415 F HN 0.661 nan 8.300 nan 0.000 0.504 416 Y N 0.110 120.230 120.300 -0.300 0.000 2.165 416 Y HA -0.134 4.419 4.550 0.006 0.000 0.286 416 Y C -0.260 175.403 175.900 -0.394 0.000 1.155 416 Y CA 1.273 59.065 58.100 -0.512 0.000 1.164 416 Y CB -2.670 35.457 38.460 -0.555 0.000 0.978 416 Y HN 0.197 nan 8.280 nan 0.000 0.513 417 P HA -0.086 nan 4.420 nan 0.000 0.216 417 P C 1.953 179.058 177.300 -0.325 0.000 1.153 417 P CA 2.175 65.165 63.100 -0.182 0.000 0.844 417 P CB 0.057 31.687 31.700 -0.116 0.000 0.787 418 S N -0.476 115.002 115.700 -0.369 0.000 2.359 418 S HA -0.156 4.318 4.470 0.006 0.000 0.224 418 S C 1.887 176.189 174.600 -0.497 0.000 1.035 418 S CA 1.178 59.099 58.200 -0.463 0.000 1.018 418 S CB -1.211 61.731 63.200 -0.430 0.000 0.876 418 S HN 0.101 nan 8.310 nan 0.000 0.448 419 I N 1.219 121.459 120.570 -0.549 0.000 2.208 419 I HA -0.226 3.947 4.170 0.006 0.000 0.245 419 I C 2.054 177.748 176.117 -0.705 0.000 1.097 419 I CA 1.283 62.117 61.300 -0.776 0.000 1.363 419 I CB -0.462 37.001 38.000 -0.895 0.000 1.051 419 I HN 0.270 nan 8.210 nan 0.000 0.413 420 I N 0.378 120.625 120.570 -0.538 0.000 2.226 420 I HA -0.302 3.871 4.170 0.006 0.000 0.245 420 I C 2.758 178.621 176.117 -0.424 0.000 1.100 420 I CA 1.506 62.528 61.300 -0.463 0.000 1.374 420 I CB -0.356 37.439 38.000 -0.342 0.000 1.057 420 I HN 0.174 nan 8.210 nan 0.000 0.413 421 R N 0.082 120.354 120.500 -0.381 0.000 2.066 421 R HA -0.191 4.152 4.340 0.006 0.000 0.232 421 R C 2.319 178.427 176.300 -0.321 0.000 1.131 421 R CA 1.329 57.241 56.100 -0.312 0.000 0.955 421 R CB -0.398 29.726 30.300 -0.293 0.000 0.851 421 R HN 0.418 nan 8.270 nan 0.000 0.432 422 Q N 0.704 120.264 119.800 -0.400 0.000 2.061 422 Q HA -0.145 4.198 4.340 0.006 0.000 0.204 422 Q C 1.847 177.639 176.000 -0.347 0.000 0.984 422 Q CA 1.768 57.352 55.803 -0.366 0.000 0.846 422 Q CB 0.182 28.653 28.738 -0.445 0.000 0.902 422 Q HN 0.189 nan 8.270 nan 0.000 0.421 423 V N 0.847 120.470 119.914 -0.485 0.000 2.951 423 V HA -0.078 4.045 4.120 0.006 0.000 0.255 423 V C 0.618 176.478 176.094 -0.389 0.000 1.088 423 V CA 1.008 63.044 62.300 -0.439 0.000 1.109 423 V CB -0.742 30.717 31.823 -0.607 0.000 0.724 423 V HN 0.669 nan 8.190 nan 0.000 0.471 424 N N -0.362 118.101 118.700 -0.394 0.000 2.861 424 N HA -0.188 4.555 4.740 0.006 0.000 0.247 424 N C -0.413 174.816 175.510 -0.468 0.000 1.117 424 N CA 0.236 53.101 53.050 -0.308 0.000 0.703 424 N CB -1.663 36.742 38.487 -0.137 0.000 1.052 424 N HN 0.539 nan 8.380 nan 0.000 0.555 425 I N 0.320 120.479 120.570 -0.684 0.000 2.533 425 I HA 0.250 4.424 4.170 0.006 0.000 0.284 425 I C 0.828 176.720 176.117 -0.375 0.000 1.109 425 I CA 0.362 61.163 61.300 -0.832 0.000 1.412 425 I CB 1.026 38.573 38.000 -0.754 0.000 1.396 425 I HN 0.295 nan 8.210 nan 0.000 0.543 426 S N 6.987 122.573 115.700 -0.189 0.000 2.586 426 S HA 0.352 4.825 4.470 0.006 0.000 0.277 426 S C -2.122 172.470 174.600 -0.014 0.000 1.131 426 S CA -0.930 57.202 58.200 -0.114 0.000 0.848 426 S CB 1.748 64.875 63.200 -0.121 0.000 1.091 426 S HN 0.372 nan 8.310 nan 0.000 0.453 427 P HA -0.117 nan 4.420 nan 0.000 0.217 427 P C 0.663 177.984 177.300 0.035 0.000 1.148 427 P CA 1.377 64.495 63.100 0.030 0.000 0.828 427 P CB -0.005 31.716 31.700 0.036 0.000 0.783 428 E N 0.063 120.227 120.200 -0.060 0.000 2.501 428 E HA 0.031 4.385 4.350 0.006 0.000 0.200 428 E C 0.552 177.197 176.600 0.075 0.000 1.016 428 E CA 0.373 56.742 56.400 -0.052 0.000 0.921 428 E CB -0.946 28.639 29.700 -0.191 0.000 1.034 428 E HN 0.225 nan 8.360 nan 0.000 0.468 429 T N -1.431 113.175 114.554 0.087 0.000 3.176 429 T HA 0.390 4.743 4.350 0.006 0.000 0.263 429 T C 0.777 175.428 174.700 -0.082 0.000 1.021 429 T CA -0.468 61.706 62.100 0.124 0.000 0.905 429 T CB -0.464 68.487 68.868 0.138 0.000 1.057 429 T HN 0.040 nan 8.240 nan 0.000 0.558 430 I N 1.795 122.272 120.570 -0.155 0.000 2.496 430 I HA 0.409 4.583 4.170 0.006 0.000 0.285 430 I C 1.324 177.017 176.117 -0.706 0.000 1.080 430 I CA -0.431 60.590 61.300 -0.465 0.000 1.404 430 I CB 1.208 39.050 38.000 -0.263 0.000 1.403 430 I HN 0.304 nan 8.210 nan 0.000 0.539 431 A N 4.575 126.815 122.820 -0.967 0.000 2.108 431 A HA 0.663 4.986 4.320 0.006 0.000 0.206 431 A C 0.905 178.137 177.584 -0.586 0.000 1.212 431 A CA 0.648 52.049 52.037 -1.061 0.000 0.843 431 A CB 0.307 18.209 19.000 -1.829 0.000 0.902 431 A HN 0.912 nan 8.150 nan 0.000 0.477 432 G N -1.556 106.959 108.800 -0.475 0.000 2.491 432 G HA2 0.461 4.424 3.960 0.006 0.000 0.183 432 G HA3 0.461 4.424 3.960 0.006 0.000 0.183 432 G C -0.240 174.548 174.900 -0.187 0.000 1.221 432 G CA 0.678 45.626 45.100 -0.253 0.000 0.996 432 G HN 1.168 nan 8.290 nan 0.000 0.474 433 T N -2.283 112.239 114.554 -0.053 0.000 2.618 433 T HA 0.910 5.264 4.350 0.006 0.000 0.286 433 T C -1.182 173.646 174.700 0.214 0.000 1.027 433 T CA 0.036 62.142 62.100 0.010 0.000 1.063 433 T CB 2.046 70.854 68.868 -0.101 0.000 1.440 433 T HN 2.242 nan 8.240 nan 0.000 0.505 434 F N -1.791 118.130 119.950 -0.048 0.000 2.708 434 F HA 0.635 5.165 4.527 0.006 0.000 0.309 434 F C -1.119 174.685 175.800 0.007 0.000 1.120 434 F CA -1.475 56.518 58.000 -0.011 0.000 0.978 434 F CB 0.995 39.994 39.000 -0.002 0.000 1.283 434 F HN 0.495 nan 8.300 nan 0.000 0.439 435 K N 3.156 123.618 120.400 0.104 0.000 2.430 435 K HA 0.296 4.619 4.320 0.006 0.000 0.280 435 K C -0.096 176.529 176.600 0.042 0.000 1.063 435 K CA 0.071 56.374 56.287 0.027 0.000 1.071 435 K CB 0.996 33.545 32.500 0.082 0.000 0.899 435 K HN 0.772 nan 8.250 nan 0.000 0.473 436 V N 0.183 120.032 119.914 -0.108 0.000 2.567 436 V HA 0.671 4.794 4.120 0.006 0.000 0.289 436 V C 0.243 176.413 176.094 0.127 0.000 1.049 436 V CA -0.782 61.521 62.300 0.006 0.000 0.969 436 V CB 1.449 33.173 31.823 -0.165 0.000 0.995 436 V HN 0.736 nan 8.190 nan 0.000 0.471 437 A N 5.003 127.950 122.820 0.212 0.000 2.242 437 A HA 0.882 5.206 4.320 0.006 0.000 0.304 437 A C -2.462 175.121 177.584 -0.001 0.000 1.100 437 A CA -1.980 50.042 52.037 -0.024 0.000 0.860 437 A CB 0.018 18.851 19.000 -0.277 0.000 1.168 437 A HN 0.847 nan 8.150 nan 0.000 0.503 438 P HA 0.048 nan 4.420 nan 0.000 0.265 438 P C 0.902 178.224 177.300 0.037 0.000 1.193 438 P CA -0.164 62.953 63.100 0.027 0.000 0.765 438 P CB 0.391 32.113 31.700 0.037 0.000 0.823 439 L N 4.044 125.321 121.223 0.090 0.000 2.089 439 L HA -0.263 4.081 4.340 0.006 0.000 0.213 439 L C 1.988 178.868 176.870 0.017 0.000 1.079 439 L CA 2.040 56.945 54.840 0.108 0.000 0.758 439 L CB -0.884 41.150 42.059 -0.041 0.000 0.891 439 L HN 0.496 nan 8.230 nan 0.000 0.433 440 H N -0.753 118.351 119.070 0.058 0.000 2.521 440 H HA -0.085 4.474 4.556 0.006 0.000 0.286 440 H C 1.565 176.904 175.328 0.018 0.000 1.034 440 H CA 1.310 57.376 56.048 0.030 0.000 1.278 440 H CB -0.007 29.755 29.762 0.001 0.000 1.386 440 H HN 0.501 nan 8.280 nan 0.000 0.567 441 D N -0.041 120.378 120.400 0.032 0.000 2.183 441 D HA -0.108 4.536 4.640 0.006 0.000 0.203 441 D C 1.721 178.026 176.300 0.008 0.000 0.969 441 D CA 0.709 54.674 54.000 -0.058 0.000 0.842 441 D CB -0.163 40.506 40.800 -0.218 0.000 0.957 441 D HN 0.394 nan 8.370 nan 0.000 0.484 442 Y N 0.989 121.420 120.300 0.218 0.000 2.263 442 Y HA 0.034 4.587 4.550 0.006 0.000 0.292 442 Y C 2.425 178.596 175.900 0.451 0.000 1.130 442 Y CA 0.195 58.503 58.100 0.347 0.000 1.179 442 Y CB -0.475 38.062 38.460 0.129 0.000 0.998 442 Y HN -0.072 nan 8.280 nan 0.000 0.532 443 I N 0.206 121.025 120.570 0.415 0.000 2.163 443 I HA -0.326 3.847 4.170 0.006 0.000 0.243 443 I C 1.300 177.568 176.117 0.252 0.000 1.085 443 I CA 1.490 63.012 61.300 0.370 0.000 1.347 443 I CB -0.342 37.765 38.000 0.179 0.000 1.044 443 I HN 0.267 nan 8.210 nan 0.000 0.408 444 N N 1.277 120.071 118.700 0.156 0.000 2.370 444 N HA 0.149 4.892 4.740 0.006 0.000 0.198 444 N C 0.626 176.133 175.510 -0.005 0.000 1.156 444 N CA 0.736 53.795 53.050 0.016 0.000 0.839 444 N CB 0.391 38.885 38.487 0.013 0.000 0.989 444 N HN 0.286 nan 8.380 nan 0.000 0.468 445 A N -0.007 122.895 122.820 0.137 0.000 2.560 445 A HA -0.178 4.145 4.320 0.006 0.000 0.299 445 A C 1.089 178.662 177.584 -0.018 0.000 1.484 445 A CA 0.691 52.744 52.037 0.027 0.000 0.749 445 A CB -1.878 17.024 19.000 -0.164 0.000 1.072 445 A HN 0.152 nan 8.150 nan 0.000 0.426 446 V N -0.762 119.186 119.914 0.057 0.000 3.151 446 V HA 0.357 4.480 4.120 0.006 0.000 0.241 446 V C 1.681 177.803 176.094 0.046 0.000 1.173 446 V CA 0.918 63.230 62.300 0.019 0.000 1.154 446 V CB -0.041 31.779 31.823 -0.005 0.000 0.898 446 V HN 1.520 nan 8.190 nan 0.000 0.473 447 A N 1.671 124.520 122.820 0.048 0.000 2.483 447 A HA 0.246 4.569 4.320 0.006 0.000 0.238 447 A C 0.555 178.268 177.584 0.216 0.000 1.070 447 A CA -0.132 51.905 52.037 -0.000 0.000 0.770 447 A CB -0.176 18.554 19.000 -0.450 0.000 1.008 447 A HN 0.681 nan 8.150 nan 0.000 0.497 448 E N 1.758 122.056 120.200 0.164 0.000 2.422 448 E HA 0.152 4.505 4.350 0.006 0.000 0.260 448 E C 0.227 176.992 176.600 0.276 0.000 1.108 448 E CA -0.565 55.950 56.400 0.193 0.000 0.943 448 E CB 0.479 30.252 29.700 0.123 0.000 0.961 448 E HN 0.604 nan 8.360 nan 0.000 0.443 449 R N 2.809 123.455 120.500 0.243 0.000 2.484 449 R HA 0.033 4.376 4.340 0.006 0.000 0.293 449 R C -1.771 174.502 176.300 -0.044 0.000 1.023 449 R CA -0.914 55.278 56.100 0.154 0.000 1.037 449 R CB 0.282 30.669 30.300 0.146 0.000 0.951 449 R HN 0.461 nan 8.270 nan 0.000 0.418 450 P HA -0.146 nan 4.420 nan 0.000 0.210 450 P C -0.216 176.782 177.300 -0.503 0.000 1.185 450 P CA 1.050 63.760 63.100 -0.650 0.000 0.924 450 P CB 0.170 31.146 31.700 -1.207 0.000 0.786 451 S N -2.619 112.843 115.700 -0.397 0.000 2.570 451 S HA 0.361 4.834 4.470 0.006 0.000 0.286 451 S C -0.031 174.478 174.600 -0.152 0.000 1.099 451 S CA -0.596 57.465 58.200 -0.231 0.000 0.913 451 S CB 1.235 64.328 63.200 -0.179 0.000 1.085 451 S HN -0.162 nan 8.310 nan 0.000 0.480 452 D N 1.662 121.979 120.400 -0.138 0.000 2.423 452 D HA 0.233 4.877 4.640 0.006 0.000 0.208 452 D C 1.422 177.632 176.300 -0.150 0.000 1.068 452 D CA 0.560 54.495 54.000 -0.108 0.000 0.860 452 D CB 0.511 41.260 40.800 -0.084 0.000 0.992 452 D HN 0.291 nan 8.370 nan 0.000 0.504 453 V N 0.048 119.805 119.914 -0.262 0.000 2.484 453 V HA 0.070 4.193 4.120 0.006 0.000 0.236 453 V C 0.518 176.403 176.094 -0.347 0.000 1.062 453 V CA 0.656 62.699 62.300 -0.429 0.000 1.081 453 V CB -0.268 31.034 31.823 -0.868 0.000 0.751 453 V HN -0.041 nan 8.190 nan 0.000 0.484 454 Y N 0.151 120.438 120.300 -0.021 0.000 2.340 454 Y HA 0.523 5.077 4.550 0.006 0.000 0.327 454 Y C 0.812 176.686 175.900 -0.042 0.000 1.321 454 Y CA -0.958 57.132 58.100 -0.018 0.000 1.433 454 Y CB 0.354 38.779 38.460 -0.058 0.000 1.373 454 Y HN 0.015 nan 8.280 nan 0.000 0.538 455 S N 0.151 115.966 115.700 0.192 0.000 2.513 455 S HA 0.542 5.015 4.470 0.006 0.000 0.276 455 S C -0.808 173.856 174.600 0.106 0.000 1.254 455 S CA -0.459 57.799 58.200 0.097 0.000 1.053 455 S CB -0.399 62.851 63.200 0.084 0.000 0.958 455 S HN 0.643 nan 8.310 nan 0.000 0.491 456 C N 2.771 122.090 119.300 0.030 0.000 2.719 456 C HA 0.884 5.347 4.460 0.006 0.000 0.327 456 C C 0.170 175.222 174.990 0.103 0.000 1.238 456 C CA -0.749 58.286 59.018 0.029 0.000 1.727 456 C CB 1.620 29.221 27.740 -0.232 0.000 2.256 456 C HN 0.837 nan 8.230 nan 0.000 0.489 457 S N 0.962 116.770 115.700 0.179 0.000 2.536 457 S HA 0.554 5.027 4.470 0.006 0.000 0.287 457 S C -2.130 172.496 174.600 0.044 0.000 1.101 457 S CA -1.042 57.262 58.200 0.172 0.000 0.950 457 S CB 1.859 65.168 63.200 0.182 0.000 1.056 457 S HN 0.631 nan 8.310 nan 0.000 0.481 458 P HA -0.054 nan 4.420 nan 0.000 0.236 458 P C 0.583 177.776 177.300 -0.179 0.000 1.172 458 P CA 0.630 63.511 63.100 -0.366 0.000 0.759 458 P CB -0.303 31.162 31.700 -0.391 0.000 0.843 459 N N -0.148 118.489 118.700 -0.106 0.000 2.336 459 N HA 0.004 4.747 4.740 0.006 0.000 0.189 459 N C 1.289 176.656 175.510 -0.238 0.000 1.113 459 N CA 0.931 53.912 53.050 -0.115 0.000 0.858 459 N CB -0.515 37.937 38.487 -0.057 0.000 0.970 459 N HN 0.176 nan 8.380 nan 0.000 0.471 460 G N -0.163 108.390 108.800 -0.411 0.000 2.179 460 G HA2 -0.188 3.776 3.960 0.006 0.000 0.220 460 G HA3 -0.188 3.776 3.960 0.006 0.000 0.220 460 G C -0.105 174.559 174.900 -0.394 0.000 0.990 460 G CA 0.053 44.602 45.100 -0.917 0.000 0.646 460 G HN 0.215 nan 8.290 nan 0.000 0.517 461 M N 0.607 120.184 119.600 -0.039 0.000 2.342 461 M HA 0.705 5.189 4.480 0.006 0.000 0.332 461 M C 0.501 176.780 176.300 -0.035 0.000 1.166 461 M CA 0.017 55.265 55.300 -0.088 0.000 1.086 461 M CB 1.136 33.653 32.600 -0.139 0.000 1.541 461 M HN 0.177 nan 8.290 nan 0.000 0.462 462 M N 2.374 121.734 119.600 -0.399 0.000 2.326 462 M HA 0.492 4.975 4.480 0.006 0.000 0.306 462 M C -1.703 174.103 176.300 -0.823 0.000 1.054 462 M CA -0.539 54.545 55.300 -0.360 0.000 0.922 462 M CB 2.153 34.636 32.600 -0.194 0.000 1.632 462 M HN 0.469 nan 8.290 nan 0.000 0.436 463 Y N -0.048 120.089 120.300 -0.273 0.000 2.570 463 Y HA 0.489 5.042 4.550 0.006 0.000 0.345 463 Y C -0.764 174.976 175.900 -0.266 0.000 1.014 463 Y CA -1.017 56.861 58.100 -0.371 0.000 1.063 463 Y CB 1.189 39.517 38.460 -0.220 0.000 1.272 463 Y HN 0.444 nan 8.280 nan 0.000 0.477 464 Y N 1.619 121.956 120.300 0.063 0.000 2.526 464 Y HA 0.059 4.612 4.550 0.006 0.000 0.330 464 Y C 1.289 177.255 175.900 0.111 0.000 1.156 464 Y CA -0.055 58.112 58.100 0.111 0.000 1.419 464 Y CB 0.749 39.243 38.460 0.056 0.000 1.250 464 Y HN 0.579 nan 8.280 nan 0.000 0.540 465 K N 1.630 122.207 120.400 0.295 0.000 2.296 465 K HA -0.101 4.222 4.320 0.006 0.000 0.200 465 K C 0.502 177.166 176.600 0.107 0.000 1.048 465 K CA 1.489 57.866 56.287 0.150 0.000 0.966 465 K CB 0.051 32.619 32.500 0.113 0.000 0.754 465 K HN 0.783 nan 8.250 nan 0.000 0.466 466 D N 0.368 120.843 120.400 0.124 0.000 2.278 466 D HA -0.060 4.584 4.640 0.006 0.000 0.228 466 D C 0.267 176.593 176.300 0.044 0.000 1.020 466 D CA 0.081 54.117 54.000 0.059 0.000 0.922 466 D CB -0.440 40.377 40.800 0.028 0.000 1.051 466 D HN -0.123 nan 8.370 nan 0.000 0.452 467 R N 0.837 121.361 120.500 0.039 0.000 2.678 467 R HA 0.159 4.503 4.340 0.006 0.000 0.264 467 R C -0.474 175.853 176.300 0.044 0.000 0.995 467 R CA 0.193 56.306 56.100 0.022 0.000 1.098 467 R CB 0.020 30.325 30.300 0.007 0.000 0.949 467 R HN 0.297 nan 8.270 nan 0.000 0.422 468 D N -0.057 120.351 120.400 0.014 0.000 2.228 468 D HA 0.394 5.037 4.640 0.006 0.000 0.247 468 D C -0.444 175.851 176.300 -0.010 0.000 0.995 468 D CA -0.301 53.700 54.000 0.001 0.000 0.903 468 D CB 1.700 42.494 40.800 -0.009 0.000 1.205 468 D HN 0.553 nan 8.370 nan 0.000 0.459 469 G N 0.709 109.489 108.800 -0.032 0.000 2.388 469 G HA2 0.400 4.363 3.960 0.006 0.000 0.330 469 G HA3 0.400 4.363 3.960 0.006 0.000 0.330 469 G C 1.176 176.032 174.900 -0.073 0.000 1.142 469 G CA -0.619 44.447 45.100 -0.057 0.000 0.908 469 G HN 0.375 nan 8.290 nan 0.000 0.473 470 V N 2.558 122.419 119.914 -0.088 0.000 2.282 470 V HA -0.221 3.902 4.120 0.006 0.000 0.249 470 V C 2.890 178.931 176.094 -0.088 0.000 1.057 470 V CA 1.826 64.077 62.300 -0.082 0.000 1.032 470 V CB -1.013 30.736 31.823 -0.123 0.000 0.645 470 V HN 0.504 nan 8.190 nan 0.000 0.447 471 V N 0.334 120.157 119.914 -0.152 0.000 2.261 471 V HA -0.160 3.964 4.120 0.006 0.000 0.246 471 V C 0.318 176.323 176.094 -0.148 0.000 1.047 471 V CA 2.759 64.950 62.300 -0.181 0.000 1.015 471 V CB -1.771 29.918 31.823 -0.223 0.000 0.642 471 V HN 0.500 nan 8.190 nan 0.000 0.446 472 P HA -0.115 nan 4.420 nan 0.000 0.216 472 P C 1.804 179.071 177.300 -0.056 0.000 1.150 472 P CA 1.681 64.704 63.100 -0.128 0.000 0.837 472 P CB -0.158 31.456 31.700 -0.142 0.000 0.786 473 T N -0.325 114.213 114.554 -0.026 0.000 2.643 473 T HA -0.130 4.223 4.350 0.006 0.000 0.264 473 T C 1.569 176.324 174.700 0.092 0.000 1.045 473 T CA 1.254 63.369 62.100 0.025 0.000 1.155 473 T CB -0.677 68.203 68.868 0.018 0.000 0.863 473 T HN 0.159 nan 8.240 nan 0.000 0.420 474 E N 0.649 120.926 120.200 0.128 0.000 2.208 474 E HA 0.068 4.421 4.350 0.006 0.000 0.193 474 E C 2.159 178.990 176.600 0.385 0.000 0.988 474 E CA 0.384 56.956 56.400 0.286 0.000 0.828 474 E CB -0.339 29.599 29.700 0.397 0.000 0.763 474 E HN 0.467 nan 8.360 nan 0.000 0.478 475 I N 0.961 121.654 120.570 0.205 0.000 2.353 475 I HA -0.212 3.961 4.170 0.006 0.000 0.248 475 I C 1.787 178.038 176.117 0.223 0.000 1.119 475 I CA 1.051 62.474 61.300 0.205 0.000 1.417 475 I CB 0.032 37.990 38.000 -0.070 0.000 1.078 475 I HN 0.040 nan 8.210 nan 0.000 0.421 476 T N 0.949 115.590 114.554 0.146 0.000 2.746 476 T HA -0.198 4.155 4.350 0.006 0.000 0.267 476 T C 1.855 176.700 174.700 0.243 0.000 1.039 476 T CA 1.229 63.436 62.100 0.177 0.000 1.142 476 T CB -0.152 68.774 68.868 0.098 0.000 0.866 476 T HN 0.327 nan 8.240 nan 0.000 0.444 477 K N 0.575 121.104 120.400 0.215 0.000 2.032 477 K HA -0.062 4.262 4.320 0.006 0.000 0.209 477 K C 2.282 178.978 176.600 0.161 0.000 1.048 477 K CA 1.129 57.536 56.287 0.201 0.000 0.927 477 K CB -0.450 32.204 32.500 0.256 0.000 0.712 477 K HN 0.201 nan 8.250 nan 0.000 0.441 478 V N 1.014 121.039 119.914 0.185 0.000 2.667 478 V HA -0.183 3.940 4.120 0.006 0.000 0.252 478 V C 1.876 178.028 176.094 0.097 0.000 1.065 478 V CA 1.153 63.489 62.300 0.059 0.000 1.083 478 V CB -0.521 31.352 31.823 0.083 0.000 0.692 478 V HN 0.213 nan 8.190 nan 0.000 0.468 479 F N 2.229 122.213 119.950 0.058 0.000 2.134 479 F HA -0.154 4.376 4.527 0.006 0.000 0.299 479 F C 2.241 178.042 175.800 0.002 0.000 1.097 479 F CA 1.733 59.752 58.000 0.033 0.000 1.264 479 F CB -0.419 38.599 39.000 0.031 0.000 1.001 479 F HN 0.196 nan 8.300 nan 0.000 0.479 480 N N 0.458 119.059 118.700 -0.166 0.000 2.166 480 N HA -0.188 4.555 4.740 0.006 0.000 0.186 480 N C 1.905 177.240 175.510 -0.292 0.000 1.019 480 N CA 1.317 54.204 53.050 -0.272 0.000 0.856 480 N CB -0.573 37.879 38.487 -0.058 0.000 0.993 480 N HN 0.531 nan 8.380 nan 0.000 0.426 481 Q N 0.467 120.154 119.800 -0.189 0.000 2.084 481 Q HA -0.056 4.287 4.340 0.006 0.000 0.202 481 Q C 2.195 178.076 176.000 -0.197 0.000 0.978 481 Q CA 0.934 56.626 55.803 -0.185 0.000 0.844 481 Q CB 0.047 28.715 28.738 -0.117 0.000 0.898 481 Q HN 0.218 nan 8.270 nan 0.000 0.426 482 R N 1.148 121.533 120.500 -0.192 0.000 2.081 482 R HA -0.169 4.174 4.340 0.006 0.000 0.235 482 R C 1.969 178.094 176.300 -0.292 0.000 1.131 482 R CA 1.610 57.609 56.100 -0.168 0.000 0.960 482 R CB -0.122 30.101 30.300 -0.129 0.000 0.856 482 R HN 0.098 nan 8.270 nan 0.000 0.436 483 K N 0.696 120.791 120.400 -0.509 0.000 2.057 483 K HA -0.198 4.125 4.320 0.006 0.000 0.207 483 K C 2.034 178.384 176.600 -0.416 0.000 1.049 483 K CA 1.836 57.831 56.287 -0.487 0.000 0.931 483 K CB -0.126 32.002 32.500 -0.620 0.000 0.714 483 K HN 0.276 nan 8.250 nan 0.000 0.440 484 E N -0.267 119.633 120.200 -0.500 0.000 2.085 484 E HA -0.252 4.101 4.350 0.006 0.000 0.194 484 E C 1.781 177.793 176.600 -0.979 0.000 0.994 484 E CA 1.331 57.303 56.400 -0.715 0.000 0.801 484 E CB -0.046 29.209 29.700 -0.741 0.000 0.743 484 E HN 0.455 nan 8.360 nan 0.000 0.453 485 H N 0.223 118.970 119.070 -0.537 0.000 2.423 485 H HA -0.033 4.527 4.556 0.005 0.000 0.297 485 H C 2.029 177.198 175.328 -0.265 0.000 1.075 485 H CA 1.438 57.252 56.048 -0.390 0.000 1.342 485 H CB -0.072 29.573 29.762 -0.195 0.000 1.395 485 H HN 0.203 nan 8.280 nan 0.000 0.530 486 K N 0.672 120.988 120.400 -0.140 0.000 2.148 486 K HA -0.076 4.247 4.320 0.006 0.000 0.204 486 K C 2.354 178.884 176.600 -0.118 0.000 1.050 486 K CA 0.983 57.208 56.287 -0.104 0.000 0.942 486 K CB -0.108 32.328 32.500 -0.106 0.000 0.724 486 K HN 0.236 nan 8.250 nan 0.000 0.446 487 G N 0.123 108.801 108.800 -0.203 0.000 2.421 487 G HA2 -0.240 3.724 3.960 0.006 0.000 0.216 487 G HA3 -0.240 3.724 3.960 0.006 0.000 0.216 487 G C 1.076 175.941 174.900 -0.059 0.000 1.171 487 G CA 0.714 45.720 45.100 -0.156 0.000 0.775 487 G HN 0.240 nan 8.290 nan 0.000 0.543 488 Y N 0.063 120.257 120.300 -0.177 0.000 2.165 488 Y HA -0.020 4.534 4.550 0.005 0.000 0.286 488 Y C 2.799 178.604 175.900 -0.158 0.000 1.155 488 Y CA 0.625 58.586 58.100 -0.231 0.000 1.164 488 Y CB -0.874 37.473 38.460 -0.188 0.000 0.978 488 Y HN 0.152 nan 8.280 nan 0.000 0.513 489 M N -0.589 119.044 119.600 0.055 0.000 2.059 489 M HA -0.202 4.281 4.480 0.006 0.000 0.259 489 M C 2.057 178.340 176.300 -0.028 0.000 1.072 489 M CA 1.783 57.084 55.300 0.002 0.000 1.117 489 M CB -0.525 32.069 32.600 -0.010 0.000 1.320 489 M HN 0.281 nan 8.290 nan 0.000 0.408 490 L N 0.166 121.367 121.223 -0.036 0.000 2.131 490 L HA -0.180 4.163 4.340 0.006 0.000 0.210 490 L C 2.701 179.538 176.870 -0.056 0.000 1.092 490 L CA 1.046 55.860 54.840 -0.044 0.000 0.759 490 L CB -0.888 41.143 42.059 -0.047 0.000 0.903 490 L HN 0.408 nan 8.230 nan 0.000 0.435 491 A N 0.114 122.898 122.820 -0.060 0.000 1.858 491 A HA -0.182 4.141 4.320 0.006 0.000 0.216 491 A C 2.545 180.054 177.584 -0.124 0.000 1.190 491 A CA 1.723 53.709 52.037 -0.084 0.000 0.617 491 A CB -0.803 18.145 19.000 -0.087 0.000 0.827 491 A HN 0.380 nan 8.150 nan 0.000 0.443 492 A N -0.857 121.903 122.820 -0.099 0.000 1.978 492 A HA -0.232 4.092 4.320 0.006 0.000 0.220 492 A C 2.191 179.717 177.584 -0.097 0.000 1.170 492 A CA 1.899 53.880 52.037 -0.092 0.000 0.636 492 A CB -0.547 18.416 19.000 -0.061 0.000 0.810 492 A HN 0.711 nan 8.150 nan 0.000 0.448 493 Q N -0.595 119.161 119.800 -0.073 0.000 2.123 493 Q HA -0.112 4.232 4.340 0.006 0.000 0.199 493 Q C 2.204 178.174 176.000 -0.051 0.000 0.966 493 Q CA 1.061 56.838 55.803 -0.043 0.000 0.845 493 Q CB -0.099 28.632 28.738 -0.013 0.000 0.907 493 Q HN 0.652 nan 8.270 nan 0.000 0.439 494 R N 0.086 120.535 120.500 -0.085 0.000 2.115 494 R HA -0.059 4.284 4.340 0.006 0.000 0.230 494 R C 1.854 178.066 176.300 -0.146 0.000 1.111 494 R CA 1.185 57.228 56.100 -0.095 0.000 0.976 494 R CB -0.093 30.151 30.300 -0.094 0.000 0.870 494 R HN 0.378 nan 8.270 nan 0.000 0.445 495 N N 0.103 118.639 118.700 -0.272 0.000 2.171 495 N HA -0.077 4.666 4.740 0.006 0.000 0.184 495 N C 1.869 177.285 175.510 -0.157 0.000 1.021 495 N CA 1.333 54.082 53.050 -0.502 0.000 0.854 495 N CB -0.491 37.383 38.487 -1.022 0.000 0.994 495 N HN 0.269 nan 8.380 nan 0.000 0.426 496 G N 1.777 110.531 108.800 -0.076 0.000 2.469 496 G HA2 -0.237 3.727 3.960 0.006 0.000 0.220 496 G HA3 -0.237 3.727 3.960 0.006 0.000 0.220 496 G C 1.456 176.374 174.900 0.030 0.000 1.136 496 G CA 0.733 45.835 45.100 0.003 0.000 0.759 496 G HN 0.240 nan 8.290 nan 0.000 0.562 497 E N 0.235 120.451 120.200 0.026 0.000 2.152 497 E HA 0.045 4.398 4.350 0.006 0.000 0.192 497 E C 2.584 179.217 176.600 0.056 0.000 0.983 497 E CA 0.161 56.595 56.400 0.056 0.000 0.818 497 E CB -0.119 29.624 29.700 0.071 0.000 0.758 497 E HN 0.528 nan 8.360 nan 0.000 0.467 498 I N 0.588 121.192 120.570 0.058 0.000 2.394 498 I HA -0.210 3.964 4.170 0.006 0.000 0.251 498 I C 2.231 178.422 176.117 0.123 0.000 1.136 498 I CA 0.791 62.154 61.300 0.107 0.000 1.425 498 I CB -0.123 37.983 38.000 0.176 0.000 1.079 498 I HN 0.037 nan 8.210 nan 0.000 0.425 499 I N 0.568 121.222 120.570 0.141 0.000 2.353 499 I HA -0.235 3.938 4.170 0.006 0.000 0.248 499 I C 2.393 178.518 176.117 0.013 0.000 1.119 499 I CA 1.181 62.553 61.300 0.121 0.000 1.417 499 I CB -0.215 37.888 38.000 0.170 0.000 1.078 499 I HN 0.129 nan 8.210 nan 0.000 0.421 500 K N 0.428 120.823 120.400 -0.008 0.000 2.057 500 K HA -0.169 4.154 4.320 0.006 0.000 0.207 500 K C 2.008 178.434 176.600 -0.290 0.000 1.049 500 K CA 1.083 57.315 56.287 -0.092 0.000 0.931 500 K CB -0.112 32.376 32.500 -0.021 0.000 0.714 500 K HN 0.196 nan 8.250 nan 0.000 0.440 501 E N 0.603 120.710 120.200 -0.156 0.000 2.204 501 E HA -0.128 4.225 4.350 0.006 0.000 0.194 501 E C 1.975 178.436 176.600 -0.232 0.000 0.989 501 E CA 0.884 57.194 56.400 -0.149 0.000 0.824 501 E CB -0.030 29.731 29.700 0.102 0.000 0.756 501 E HN 0.306 nan 8.360 nan 0.000 0.477 502 A N 1.132 123.874 122.820 -0.129 0.000 1.902 502 A HA -0.102 4.221 4.320 0.006 0.000 0.217 502 A C 1.975 179.493 177.584 -0.110 0.000 1.181 502 A CA 0.669 52.672 52.037 -0.057 0.000 0.623 502 A CB -0.638 18.362 19.000 -0.001 0.000 0.818 502 A HN 0.210 nan 8.150 nan 0.000 0.443 503 L N 0.054 121.151 121.223 -0.211 0.000 3.301 503 L HA -0.080 4.264 4.340 0.006 0.000 0.269 503 L C 1.086 177.881 176.870 -0.125 0.000 1.240 503 L CA 0.365 55.114 54.840 -0.153 0.000 1.038 503 L CB -0.932 41.050 42.059 -0.127 0.000 1.406 503 L HN 0.581 nan 8.230 nan 0.000 0.409 504 H N -2.361 116.732 119.070 0.038 0.000 3.067 504 H HA 0.202 4.760 4.556 0.004 0.000 0.241 504 H C 0.487 175.833 175.328 0.030 0.000 0.961 504 H CA -0.317 55.752 56.048 0.034 0.000 1.123 504 H CB 0.809 30.594 29.762 0.038 0.000 1.448 504 H HN 0.209 nan 8.280 nan 0.000 0.457 505 N N 2.377 121.157 118.700 0.132 0.000 2.914 505 N HA 0.114 4.857 4.740 0.006 0.000 0.304 505 N C -2.696 172.843 175.510 0.048 0.000 1.727 505 N CA -1.001 52.097 53.050 0.080 0.000 0.986 505 N CB 1.037 39.567 38.487 0.072 0.000 1.297 505 N HN 0.310 nan 8.380 nan 0.000 0.490 506 P HA 0.128 nan 4.420 nan 0.000 0.230 506 P C -0.806 176.508 177.300 0.024 0.000 1.791 506 P CA -0.480 62.637 63.100 0.028 0.000 1.020 506 P CB -0.754 30.963 31.700 0.028 0.000 1.977 507 N N 1.927 120.640 118.700 0.021 0.000 2.347 507 N HA -0.047 4.696 4.740 0.006 0.000 0.278 507 N C 0.188 175.705 175.510 0.013 0.000 1.367 507 N CA 0.324 53.384 53.050 0.016 0.000 0.898 507 N CB -0.389 38.106 38.487 0.013 0.000 1.203 507 N HN 0.208 nan 8.380 nan 0.000 0.491 508 L N 1.937 123.168 121.223 0.013 0.000 2.640 508 L HA 0.004 4.348 4.340 0.006 0.000 0.280 508 L C 0.739 177.613 176.870 0.007 0.000 1.229 508 L CA 0.900 55.746 54.840 0.010 0.000 0.919 508 L CB -0.822 41.243 42.059 0.010 0.000 1.168 508 L HN 0.906 nan 8.230 nan 0.000 0.496 509 S N 0.987 116.690 115.700 0.006 0.000 2.718 509 S HA 0.389 4.863 4.470 0.006 0.000 0.271 509 S C -1.238 173.364 174.600 0.003 0.000 0.999 509 S CA -1.213 56.989 58.200 0.003 0.000 0.899 509 S CB 0.437 63.639 63.200 0.003 0.000 1.148 509 S HN 0.164 nan 8.310 nan 0.000 0.463 510 V N 2.812 122.727 119.914 0.002 0.000 2.294 510 V HA 0.554 4.678 4.120 0.006 0.000 0.272 510 V C -0.634 175.461 176.094 0.001 0.000 1.027 510 V CA -0.176 62.125 62.300 0.001 0.000 0.823 510 V CB -0.024 31.799 31.823 0.001 0.000 1.030 510 V HN 0.949 nan 8.190 nan 0.000 0.457 511 D N 3.312 123.713 120.400 0.002 0.000 2.621 511 D HA 0.615 5.258 4.640 0.006 0.000 0.255 511 D C -0.476 175.826 176.300 0.004 0.000 1.122 511 D CA -0.913 53.087 54.000 0.001 0.000 1.096 511 D CB 1.090 41.890 40.800 -0.001 0.000 1.282 511 D HN 0.187 nan 8.370 nan 0.000 0.619 512 E N -0.457 119.744 120.200 0.003 0.000 2.183 512 E HA 0.387 4.740 4.350 0.006 0.000 0.271 512 E C -2.389 174.217 176.600 0.011 0.000 0.919 512 E CA -2.105 54.300 56.400 0.008 0.000 0.781 512 E CB 1.569 31.271 29.700 0.004 0.000 1.140 512 E HN 0.206 nan 8.360 nan 0.000 0.402 513 P HA 0.059 nan 4.420 nan 0.000 0.270 513 P C -0.312 177.008 177.300 0.034 0.000 1.242 513 P CA -0.377 62.752 63.100 0.049 0.000 0.768 513 P CB 0.238 31.987 31.700 0.083 0.000 0.820 514 L N 3.070 124.288 121.223 -0.007 0.000 2.558 514 L HA -0.080 4.264 4.340 0.006 0.000 0.301 514 L C 1.092 177.939 176.870 -0.037 0.000 1.267 514 L CA 1.186 55.992 54.840 -0.057 0.000 0.854 514 L CB -0.203 41.764 42.059 -0.152 0.000 1.103 514 L HN 0.378 nan 8.230 nan 0.000 0.522 515 D N 1.879 122.247 120.400 -0.054 0.000 2.456 515 D HA 0.439 5.083 4.640 0.006 0.000 0.219 515 D C -0.907 175.344 176.300 -0.083 0.000 1.126 515 D CA -0.211 53.771 54.000 -0.030 0.000 0.890 515 D CB 0.375 41.165 40.800 -0.017 0.000 1.025 515 D HN 0.280 nan 8.370 nan 0.000 0.511 516 V N 0.765 120.606 119.914 -0.121 0.000 3.078 516 V HA 0.555 4.679 4.120 0.006 0.000 0.311 516 V C -0.459 175.572 176.094 -0.104 0.000 1.138 516 V CA -1.105 61.081 62.300 -0.189 0.000 1.007 516 V CB 2.093 33.676 31.823 -0.401 0.000 1.045 516 V HN 0.223 nan 8.190 nan 0.000 0.432 517 D N 1.076 121.483 120.400 0.011 0.000 2.479 517 D HA 0.350 4.993 4.640 0.006 0.000 0.218 517 D C 0.458 176.861 176.300 0.172 0.000 1.131 517 D CA -0.305 53.784 54.000 0.149 0.000 0.916 517 D CB 0.344 41.287 40.800 0.238 0.000 1.022 517 D HN 0.578 nan 8.370 nan 0.000 0.515 518 Y N 1.684 122.058 120.300 0.124 0.000 2.639 518 Y HA -0.142 4.412 4.550 0.006 0.000 0.289 518 Y C 2.116 177.948 175.900 -0.113 0.000 1.155 518 Y CA 0.741 58.869 58.100 0.046 0.000 1.379 518 Y CB -0.167 38.296 38.460 0.004 0.000 0.967 518 Y HN 0.292 nan 8.280 nan 0.000 0.569 519 R N -0.975 119.470 120.500 -0.091 0.000 2.189 519 R HA -0.001 4.342 4.340 0.006 0.000 0.218 519 R C -0.418 175.513 176.300 -0.615 0.000 1.074 519 R CA 0.466 56.295 56.100 -0.450 0.000 0.991 519 R CB -0.111 29.623 30.300 -0.944 0.000 0.883 519 R HN 0.136 nan 8.270 nan 0.000 0.457 520 F N 0.898 120.832 119.950 -0.027 0.000 2.458 520 F HA 0.200 4.730 4.527 0.005 0.000 0.330 520 F C 0.532 176.323 175.800 -0.014 0.000 1.082 520 F CA -1.431 56.569 58.000 -0.001 0.000 0.995 520 F CB 0.766 39.767 39.000 0.001 0.000 1.170 520 F HN -0.223 nan 8.300 nan 0.000 0.478 521 D N 2.111 122.603 120.400 0.155 0.000 2.493 521 D HA -0.049 4.594 4.640 0.006 0.000 0.240 521 D C -0.034 176.372 176.300 0.175 0.000 1.142 521 D CA 0.500 54.538 54.000 0.064 0.000 0.872 521 D CB 0.385 41.225 40.800 0.066 0.000 1.173 521 D HN 0.078 nan 8.370 nan 0.000 0.467 522 F N 1.570 121.538 119.950 0.030 0.000 2.623 522 F HA -0.092 4.438 4.527 0.005 0.000 0.383 522 F C 1.741 177.540 175.800 -0.000 0.000 1.077 522 F CA -0.680 57.318 58.000 -0.004 0.000 1.268 522 F CB -0.266 38.724 39.000 -0.017 0.000 1.053 522 F HN 0.103 nan 8.300 nan 0.000 0.571 523 S N 1.733 117.532 115.700 0.165 0.000 2.606 523 S HA 0.073 4.546 4.470 0.006 0.000 0.257 523 S C 0.830 175.456 174.600 0.044 0.000 1.327 523 S CA -0.357 57.883 58.200 0.068 0.000 0.984 523 S CB 0.700 63.907 63.200 0.011 0.000 0.941 523 S HN 0.538 nan 8.310 nan 0.000 0.576 524 D N 0.659 121.074 120.400 0.024 0.000 2.144 524 D HA 0.006 4.649 4.640 0.006 0.000 0.200 524 D C 1.785 178.078 176.300 -0.011 0.000 0.978 524 D CA 1.212 55.221 54.000 0.015 0.000 0.833 524 D CB -0.192 40.615 40.800 0.012 0.000 0.961 524 D HN 0.652 nan 8.370 nan 0.000 0.470 525 E N 0.167 120.351 120.200 -0.026 0.000 2.118 525 E HA -0.118 4.235 4.350 0.006 0.000 0.195 525 E C 2.014 178.569 176.600 -0.076 0.000 0.992 525 E CA 0.655 57.028 56.400 -0.045 0.000 0.804 525 E CB -0.124 29.547 29.700 -0.047 0.000 0.741 525 E HN 0.396 nan 8.360 nan 0.000 0.458 526 I N 0.462 120.965 120.570 -0.113 0.000 2.233 526 I HA -0.233 3.941 4.170 0.006 0.000 0.243 526 I C 1.963 177.971 176.117 -0.181 0.000 1.093 526 I CA 0.977 62.150 61.300 -0.212 0.000 1.380 526 I CB -0.245 37.522 38.000 -0.390 0.000 1.067 526 I HN 0.002 nan 8.210 nan 0.000 0.413 527 K N 0.781 121.127 120.400 -0.090 0.000 2.074 527 K HA -0.270 4.053 4.320 0.006 0.000 0.209 527 K C 2.053 178.641 176.600 -0.021 0.000 1.048 527 K CA 1.780 58.060 56.287 -0.012 0.000 0.926 527 K CB -0.264 32.267 32.500 0.051 0.000 0.713 527 K HN 0.344 nan 8.250 nan 0.000 0.444 528 E N 1.286 121.470 120.200 -0.028 0.000 2.110 528 E HA -0.181 4.172 4.350 0.006 0.000 0.193 528 E C 1.589 178.170 176.600 -0.032 0.000 0.988 528 E CA 1.189 57.577 56.400 -0.021 0.000 0.804 528 E CB 0.261 29.948 29.700 -0.020 0.000 0.745 528 E HN 0.222 nan 8.360 nan 0.000 0.458 529 K N 0.367 120.732 120.400 -0.059 0.000 1.975 529 K HA -0.095 4.229 4.320 0.006 0.000 0.210 529 K C 2.263 178.830 176.600 -0.055 0.000 1.041 529 K CA 1.322 57.571 56.287 -0.063 0.000 0.942 529 K CB -0.378 32.066 32.500 -0.093 0.000 0.729 529 K HN 0.114 nan 8.250 nan 0.000 0.439 530 I N 2.081 122.602 120.570 -0.081 0.000 2.178 530 I HA -0.470 3.704 4.170 0.006 0.000 0.243 530 I C 2.143 178.251 176.117 -0.015 0.000 1.019 530 I CA 1.735 63.003 61.300 -0.054 0.000 1.294 530 I CB -0.594 37.375 38.000 -0.052 0.000 0.996 530 I HN 0.267 nan 8.210 nan 0.000 0.415 531 K N 0.475 120.872 120.400 -0.004 0.000 2.189 531 K HA -0.266 4.057 4.320 0.006 0.000 0.207 531 K C 1.935 178.541 176.600 0.010 0.000 1.046 531 K CA 1.789 58.083 56.287 0.011 0.000 0.928 531 K CB -0.269 32.240 32.500 0.015 0.000 0.720 531 K HN 0.494 nan 8.250 nan 0.000 0.458 532 K N 0.355 120.755 120.400 0.000 0.000 2.242 532 K HA 0.129 4.452 4.320 0.006 0.000 0.200 532 K C 0.864 177.465 176.600 0.002 0.000 1.050 532 K CA -0.087 56.202 56.287 0.002 0.000 0.981 532 K CB 0.084 32.582 32.500 -0.004 0.000 0.795 532 K HN -0.010 nan 8.250 nan 0.000 0.477 533 L N 1.933 123.154 121.223 -0.003 0.000 2.477 533 L HA -0.107 4.237 4.340 0.006 0.000 0.289 533 L C 0.897 177.772 176.870 0.008 0.000 1.279 533 L CA 0.059 54.899 54.840 0.000 0.000 0.825 533 L CB 0.087 42.145 42.059 -0.002 0.000 1.085 533 L HN 0.250 nan 8.230 nan 0.000 0.548 534 S N -0.067 115.638 115.700 0.009 0.000 2.766 534 S HA 0.553 5.027 4.470 0.006 0.000 0.307 534 S C 0.764 175.373 174.600 0.014 0.000 1.121 534 S CA -0.284 57.923 58.200 0.012 0.000 0.980 534 S CB 1.523 64.729 63.200 0.010 0.000 1.159 534 S HN 0.649 nan 8.310 nan 0.000 0.546 535 A N 0.781 123.609 122.820 0.013 0.000 1.986 535 A HA -0.127 4.196 4.320 0.006 0.000 0.220 535 A C 2.102 179.693 177.584 0.011 0.000 1.171 535 A CA 1.968 54.013 52.037 0.012 0.000 0.640 535 A CB -1.035 17.971 19.000 0.010 0.000 0.811 535 A HN 0.890 nan 8.150 nan 0.000 0.451 536 K N -0.256 120.149 120.400 0.008 0.000 1.969 536 K HA -0.153 4.170 4.320 0.006 0.000 0.216 536 K C 2.241 178.850 176.600 0.015 0.000 1.048 536 K CA 1.932 58.222 56.287 0.006 0.000 0.948 536 K CB -0.394 32.109 32.500 0.004 0.000 0.726 536 K HN 0.398 nan 8.250 nan 0.000 0.442 537 S N 1.375 117.086 115.700 0.019 0.000 2.355 537 S HA -0.071 4.403 4.470 0.006 0.000 0.222 537 S C 2.009 176.638 174.600 0.049 0.000 1.031 537 S CA 1.100 59.319 58.200 0.031 0.000 0.993 537 S CB -0.273 62.940 63.200 0.022 0.000 0.859 537 S HN 0.266 nan 8.310 nan 0.000 0.453 538 L N 1.867 123.114 121.223 0.041 0.000 1.990 538 L HA -0.217 4.127 4.340 0.006 0.000 0.213 538 L C 2.315 179.228 176.870 0.072 0.000 1.072 538 L CA 1.264 56.137 54.840 0.055 0.000 0.755 538 L CB -0.780 41.300 42.059 0.034 0.000 0.889 538 L HN 0.330 nan 8.230 nan 0.000 0.432 539 N N -0.200 118.530 118.700 0.050 0.000 2.149 539 N HA -0.233 4.510 4.740 0.006 0.000 0.188 539 N C 1.785 177.346 175.510 0.085 0.000 1.019 539 N CA 1.352 54.434 53.050 0.053 0.000 0.857 539 N CB -0.197 38.303 38.487 0.021 0.000 0.997 539 N HN 0.316 nan 8.380 nan 0.000 0.426 540 E N 0.971 121.218 120.200 0.079 0.000 2.153 540 E HA -0.051 4.303 4.350 0.006 0.000 0.194 540 E C 1.947 178.651 176.600 0.172 0.000 0.988 540 E CA 1.039 57.506 56.400 0.112 0.000 0.811 540 E CB -0.138 29.611 29.700 0.081 0.000 0.746 540 E HN 0.331 nan 8.360 nan 0.000 0.466 541 M N -0.661 119.043 119.600 0.175 0.000 2.156 541 M HA -0.072 4.412 4.480 0.006 0.000 0.264 541 M C 2.015 178.409 176.300 0.156 0.000 1.067 541 M CA 0.839 56.293 55.300 0.257 0.000 1.131 541 M CB -0.193 32.606 32.600 0.333 0.000 1.368 541 M HN 0.225 nan 8.290 nan 0.000 0.416 542 L N -0.024 121.284 121.223 0.141 0.000 2.042 542 L HA -0.194 4.149 4.340 0.006 0.000 0.210 542 L C 2.151 179.036 176.870 0.026 0.000 1.076 542 L CA 1.880 56.771 54.840 0.084 0.000 0.749 542 L CB -0.846 41.261 42.059 0.080 0.000 0.893 542 L HN 0.226 nan 8.230 nan 0.000 0.432 543 F N 0.321 120.227 119.950 -0.074 0.000 2.146 543 F HA -0.171 4.359 4.527 0.005 0.000 0.298 543 F C 2.524 178.219 175.800 -0.176 0.000 1.096 543 F CA 1.582 59.521 58.000 -0.103 0.000 1.275 543 F CB -0.266 38.690 39.000 -0.074 0.000 1.008 543 F HN 0.011 nan 8.300 nan 0.000 0.480 544 R N 0.118 120.475 120.500 -0.238 0.000 2.115 544 R HA -0.057 4.286 4.340 0.006 0.000 0.230 544 R C 2.422 178.195 176.300 -0.878 0.000 1.111 544 R CA 0.972 56.753 56.100 -0.532 0.000 0.976 544 R CB -0.762 29.292 30.300 -0.411 0.000 0.870 544 R HN 0.395 nan 8.270 nan 0.000 0.445 545 A N 1.507 123.841 122.820 -0.810 0.000 1.855 545 A HA -0.211 4.112 4.320 0.006 0.000 0.215 545 A C 2.056 179.426 177.584 -0.357 0.000 1.191 545 A CA 1.189 52.868 52.037 -0.597 0.000 0.613 545 A CB -0.423 18.495 19.000 -0.136 0.000 0.829 545 A HN 0.301 nan 8.150 nan 0.000 0.442 546 Q N -1.059 118.559 119.800 -0.303 0.000 2.226 546 Q HA -0.119 4.224 4.340 0.006 0.000 0.204 546 Q C 2.244 178.055 176.000 -0.314 0.000 0.975 546 Q CA 0.959 56.611 55.803 -0.252 0.000 0.866 546 Q CB -0.137 28.481 28.738 -0.201 0.000 0.915 546 Q HN 0.362 nan 8.270 nan 0.000 0.440 547 R N -0.025 120.193 120.500 -0.470 0.000 2.090 547 R HA -0.023 4.320 4.340 0.006 0.000 0.228 547 R C 2.147 178.280 176.300 -0.278 0.000 1.110 547 R CA 1.261 57.099 56.100 -0.436 0.000 0.973 547 R CB -0.779 29.166 30.300 -0.591 0.000 0.869 547 R HN 0.256 nan 8.270 nan 0.000 0.440 548 T N 0.908 115.295 114.554 -0.278 0.000 2.821 548 T HA -0.120 4.233 4.350 0.006 0.000 0.267 548 T C 1.681 176.311 174.700 -0.116 0.000 1.046 548 T CA 1.165 63.163 62.100 -0.170 0.000 1.139 548 T CB 0.006 68.789 68.868 -0.143 0.000 0.871 548 T HN 0.372 nan 8.240 nan 0.000 0.454 549 E N 0.476 120.599 120.200 -0.128 0.000 2.031 549 E HA -0.119 4.235 4.350 0.006 0.000 0.193 549 E C 2.312 178.870 176.600 -0.070 0.000 0.994 549 E CA 1.025 57.374 56.400 -0.084 0.000 0.800 549 E CB -0.101 29.546 29.700 -0.088 0.000 0.752 549 E HN 0.204 nan 8.360 nan 0.000 0.447 550 V N 1.448 121.307 119.914 -0.091 0.000 2.324 550 V HA -0.335 3.788 4.120 0.006 0.000 0.250 550 V C 2.456 178.518 176.094 -0.053 0.000 1.060 550 V CA 1.964 64.225 62.300 -0.063 0.000 1.042 550 V CB -0.855 30.917 31.823 -0.086 0.000 0.650 550 V HN 0.428 nan 8.190 nan 0.000 0.450 551 A N 0.290 123.063 122.820 -0.078 0.000 1.883 551 A HA -0.153 4.171 4.320 0.006 0.000 0.217 551 A C 2.433 179.985 177.584 -0.053 0.000 1.186 551 A CA 2.201 54.198 52.037 -0.068 0.000 0.624 551 A CB -1.307 17.649 19.000 -0.073 0.000 0.822 551 A HN 0.545 nan 8.150 nan 0.000 0.444 552 G N -0.821 107.964 108.800 -0.025 0.000 2.402 552 G HA2 -0.178 3.785 3.960 0.006 0.000 0.216 552 G HA3 -0.178 3.785 3.960 0.006 0.000 0.216 552 G C 1.525 176.408 174.900 -0.029 0.000 1.162 552 G CA 1.588 46.693 45.100 0.009 0.000 0.777 552 G HN 0.491 nan 8.290 nan 0.000 0.539 553 M N 1.260 120.846 119.600 -0.023 0.000 2.088 553 M HA -0.111 4.372 4.480 0.006 0.000 0.256 553 M C 2.443 178.736 176.300 -0.011 0.000 1.071 553 M CA 2.521 57.807 55.300 -0.022 0.000 1.097 553 M CB -1.203 31.392 32.600 -0.007 0.000 1.315 553 M HN 0.125 nan 8.290 nan 0.000 0.406 554 T N 0.772 115.341 114.554 0.026 0.000 2.635 554 T HA -0.168 4.185 4.350 0.006 0.000 0.267 554 T C 1.769 176.454 174.700 -0.026 0.000 1.040 554 T CA 2.178 64.334 62.100 0.094 0.000 1.156 554 T CB -0.837 68.111 68.868 0.133 0.000 0.863 554 T HN 0.628 nan 8.240 nan 0.000 0.430 555 A N 1.390 124.116 122.820 -0.157 0.000 1.933 555 A HA -0.161 4.162 4.320 0.006 0.000 0.218 555 A C 2.238 179.683 177.584 -0.231 0.000 1.175 555 A CA 2.041 53.866 52.037 -0.354 0.000 0.628 555 A CB -0.550 17.932 19.000 -0.863 0.000 0.814 555 A HN 0.659 nan 8.150 nan 0.000 0.444 556 Q N -0.689 119.042 119.800 -0.115 0.000 2.123 556 Q HA 0.080 4.423 4.340 0.006 0.000 0.196 556 Q C 1.652 177.618 176.000 -0.058 0.000 0.958 556 Q CA 1.522 57.297 55.803 -0.047 0.000 0.841 556 Q CB -0.794 27.928 28.738 -0.027 0.000 0.915 556 Q HN 0.373 nan 8.270 nan 0.000 0.455 557 I N 1.196 121.717 120.570 -0.081 0.000 2.454 557 I HA -0.172 4.002 4.170 0.006 0.000 0.254 557 I C 1.287 177.392 176.117 -0.021 0.000 1.156 557 I CA 1.228 62.432 61.300 -0.159 0.000 1.433 557 I CB -0.227 37.580 38.000 -0.322 0.000 1.082 557 I HN 0.289 nan 8.210 nan 0.000 0.432 558 N N -0.087 118.639 118.700 0.044 0.000 2.415 558 N HA 0.025 4.768 4.740 0.006 0.000 0.176 558 N C 1.774 177.287 175.510 0.005 0.000 1.042 558 N CA 0.430 53.524 53.050 0.072 0.000 0.902 558 N CB 0.045 38.464 38.487 -0.113 0.000 0.986 558 N HN 0.402 nan 8.380 nan 0.000 0.447 559 R N 0.964 121.449 120.500 -0.024 0.000 2.153 559 R HA 0.029 4.372 4.340 0.006 0.000 0.218 559 R C 2.071 178.414 176.300 0.072 0.000 1.072 559 R CA 0.589 56.680 56.100 -0.014 0.000 0.990 559 R CB 0.124 30.403 30.300 -0.035 0.000 0.889 559 R HN 0.157 nan 8.270 nan 0.000 0.452 560 K N 1.081 121.524 120.400 0.071 0.000 2.025 560 K HA -0.144 4.179 4.320 0.006 0.000 0.207 560 K C 2.038 178.731 176.600 0.155 0.000 1.049 560 K CA 1.010 57.360 56.287 0.105 0.000 0.933 560 K CB -0.091 32.432 32.500 0.039 0.000 0.714 560 K HN 0.021 nan 8.250 nan 0.000 0.438 561 L N 1.496 122.830 121.223 0.186 0.000 2.012 561 L HA -0.161 4.182 4.340 0.006 0.000 0.210 561 L C 2.142 179.157 176.870 0.241 0.000 1.073 561 L CA 1.463 56.456 54.840 0.256 0.000 0.748 561 L CB -0.721 41.554 42.059 0.360 0.000 0.891 561 L HN 0.314 nan 8.230 nan 0.000 0.431 562 L N 0.114 121.467 121.223 0.218 0.000 1.989 562 L HA -0.203 4.140 4.340 0.006 0.000 0.211 562 L C 2.461 179.642 176.870 0.518 0.000 1.071 562 L CA 2.441 57.448 54.840 0.279 0.000 0.749 562 L CB -0.743 41.367 42.059 0.086 0.000 0.890 562 L HN 0.521 nan 8.230 nan 0.000 0.431 563 I N -2.966 117.861 120.570 0.429 0.000 2.286 563 I HA -0.193 3.980 4.170 0.006 0.000 0.248 563 I C 1.929 178.186 176.117 0.234 0.000 1.115 563 I CA 1.616 63.162 61.300 0.410 0.000 1.392 563 I CB -0.863 37.325 38.000 0.314 0.000 1.065 563 I HN 0.250 nan 8.210 nan 0.000 0.418 564 N N 1.406 120.243 118.700 0.228 0.000 2.309 564 N HA -0.088 4.656 4.740 0.006 0.000 0.182 564 N C 1.899 177.562 175.510 0.254 0.000 1.018 564 N CA 1.418 54.602 53.050 0.224 0.000 0.876 564 N CB -0.220 38.377 38.487 0.183 0.000 0.972 564 N HN 0.415 nan 8.380 nan 0.000 0.434 565 S N 0.537 116.370 115.700 0.221 0.000 2.496 565 S HA 0.036 4.510 4.470 0.006 0.000 0.224 565 S C 1.708 176.296 174.600 -0.021 0.000 0.996 565 S CA -0.071 58.215 58.200 0.144 0.000 0.927 565 S CB 0.087 63.412 63.200 0.208 0.000 0.774 565 S HN 0.191 nan 8.310 nan 0.000 0.524 566 L N 1.190 122.344 121.223 -0.116 0.000 2.109 566 L HA 0.039 4.382 4.340 0.006 0.000 0.207 566 L C 1.942 178.584 176.870 -0.381 0.000 1.086 566 L CA 1.569 56.041 54.840 -0.613 0.000 0.760 566 L CB -1.004 40.356 42.059 -1.165 0.000 0.910 566 L HN 0.410 nan 8.230 nan 0.000 0.437 567 Y N 0.030 120.206 120.300 -0.207 0.000 2.163 567 Y HA 0.023 4.576 4.550 0.006 0.000 0.288 567 Y C 2.196 178.056 175.900 -0.067 0.000 1.136 567 Y CA 1.556 59.589 58.100 -0.112 0.000 1.147 567 Y CB -1.061 37.418 38.460 0.031 0.000 0.987 567 Y HN 0.111 nan 8.280 nan 0.000 0.509 568 G N 0.645 109.057 108.800 -0.646 0.000 2.459 568 G HA2 -0.312 3.651 3.960 0.006 0.000 0.217 568 G HA3 -0.312 3.651 3.960 0.006 0.000 0.217 568 G C 1.917 176.557 174.900 -0.433 0.000 1.183 568 G CA 1.607 46.349 45.100 -0.598 0.000 0.776 568 G HN 0.708 nan 8.290 nan 0.000 0.552 569 A N 0.869 123.409 122.820 -0.466 0.000 1.915 569 A HA -0.127 4.196 4.320 0.006 0.000 0.220 569 A C 2.430 179.763 177.584 -0.418 0.000 1.198 569 A CA 1.773 53.392 52.037 -0.695 0.000 0.647 569 A CB -0.613 17.415 19.000 -1.620 0.000 0.825 569 A HN 0.402 nan 8.150 nan 0.000 0.456 570 L N -1.124 119.905 121.223 -0.322 0.000 2.261 570 L HA -0.144 4.199 4.340 0.006 0.000 0.216 570 L C 2.210 178.981 176.870 -0.164 0.000 1.114 570 L CA 0.886 55.684 54.840 -0.070 0.000 0.777 570 L CB -0.402 41.570 42.059 -0.145 0.000 0.910 570 L HN 0.523 nan 8.230 nan 0.000 0.440 571 G N -1.263 107.426 108.800 -0.185 0.000 3.502 571 G HA2 -0.013 3.950 3.960 0.006 0.000 0.267 571 G HA3 -0.013 3.950 3.960 0.006 0.000 0.267 571 G C 0.067 175.105 174.900 0.229 0.000 1.090 571 G CA -0.244 44.793 45.100 -0.104 0.000 0.795 571 G HN 0.169 nan 8.290 nan 0.000 0.535 572 N N 0.894 119.757 118.700 0.272 0.000 2.399 572 N HA 0.087 4.831 4.740 0.006 0.000 0.280 572 N C 1.502 177.012 175.510 0.001 0.000 1.008 572 N CA -0.415 52.737 53.050 0.170 0.000 0.894 572 N CB 2.435 40.995 38.487 0.121 0.000 1.273 572 N HN -0.009 nan 8.380 nan 0.000 0.486 573 V N 1.988 121.604 119.914 -0.497 0.000 3.099 573 V HA -0.083 4.041 4.120 0.006 0.000 0.269 573 V C 0.794 176.471 176.094 -0.695 0.000 1.150 573 V CA 1.054 62.747 62.300 -1.012 0.000 1.165 573 V CB -0.966 30.258 31.823 -0.999 0.000 0.756 573 V HN 0.661 nan 8.190 nan 0.000 0.527 574 W N -1.558 119.713 121.300 -0.048 0.000 3.220 574 W HA 0.458 5.122 4.660 0.006 0.000 0.328 574 W C 0.734 177.343 176.519 0.150 0.000 1.205 574 W CA -0.943 56.421 57.345 0.031 0.000 1.773 574 W CB 0.081 29.557 29.460 0.025 0.000 1.086 574 W HN 0.166 nan 8.180 nan 0.000 0.622 575 F N 2.382 122.413 119.950 0.136 0.000 2.438 575 F HA 0.219 4.750 4.527 0.006 0.000 0.356 575 F C 1.896 177.737 175.800 0.068 0.000 1.099 575 F CA -1.294 56.792 58.000 0.143 0.000 1.185 575 F CB 0.695 39.794 39.000 0.164 0.000 1.115 575 F HN -0.148 nan 8.300 nan 0.000 0.526 576 R N 3.760 124.081 120.500 -0.300 0.000 2.154 576 R HA -0.226 4.117 4.340 0.006 0.000 0.248 576 R C 0.084 175.921 176.300 -0.772 0.000 1.155 576 R CA 1.954 57.710 56.100 -0.575 0.000 0.979 576 R CB -0.265 29.543 30.300 -0.820 0.000 0.869 576 R HN 0.703 nan 8.270 nan 0.000 0.452 577 Y N -0.918 118.980 120.300 -0.671 0.000 2.774 577 Y HA 0.144 4.697 4.550 0.006 0.000 0.305 577 Y C -0.523 175.372 175.900 -0.008 0.000 1.067 577 Y CA -1.109 56.786 58.100 -0.342 0.000 1.304 577 Y CB -0.291 37.916 38.460 -0.421 0.000 1.209 577 Y HN 0.036 nan 8.280 nan 0.000 0.543 578 Y N 1.931 122.243 120.300 0.019 0.000 2.597 578 Y HA 0.278 4.831 4.550 0.006 0.000 0.336 578 Y C -0.078 175.737 175.900 -0.143 0.000 1.216 578 Y CA 0.324 58.408 58.100 -0.025 0.000 1.463 578 Y CB 0.629 38.946 38.460 -0.238 0.000 1.303 578 Y HN 0.264 nan 8.280 nan 0.000 0.576 579 D N 5.723 125.659 120.400 -0.774 0.000 2.229 579 D HA 0.034 4.677 4.640 0.006 0.000 0.209 579 D C -0.368 175.544 176.300 -0.647 0.000 1.295 579 D CA -0.407 53.202 54.000 -0.652 0.000 0.913 579 D CB 0.614 41.274 40.800 -0.234 0.000 1.581 579 D HN 0.607 nan 8.370 nan 0.000 0.502 580 L N 2.929 123.691 121.223 -0.767 0.000 2.349 580 L HA -0.013 4.331 4.340 0.006 0.000 0.220 580 L C 2.409 179.066 176.870 -0.355 0.000 1.130 580 L CA 1.395 55.881 54.840 -0.590 0.000 0.791 580 L CB -0.334 41.458 42.059 -0.445 0.000 0.918 580 L HN 0.361 nan 8.230 nan 0.000 0.444 581 R N -0.959 119.385 120.500 -0.261 0.000 2.075 581 R HA -0.103 4.240 4.340 0.006 0.000 0.232 581 R C 1.911 178.150 176.300 -0.102 0.000 1.126 581 R CA 1.307 57.314 56.100 -0.155 0.000 0.963 581 R CB -0.316 29.909 30.300 -0.125 0.000 0.858 581 R HN 0.430 nan 8.270 nan 0.000 0.435 582 N N 0.731 119.363 118.700 -0.112 0.000 2.173 582 N HA -0.053 4.690 4.740 0.006 0.000 0.184 582 N C 1.722 177.155 175.510 -0.129 0.000 1.025 582 N CA 1.306 54.315 53.050 -0.070 0.000 0.852 582 N CB -0.378 38.068 38.487 -0.068 0.000 0.998 582 N HN 0.160 nan 8.380 nan 0.000 0.427 583 A N 0.490 123.186 122.820 -0.208 0.000 1.917 583 A HA -0.152 4.171 4.320 0.006 0.000 0.219 583 A C 2.334 179.882 177.584 -0.060 0.000 1.182 583 A CA 2.160 54.091 52.037 -0.178 0.000 0.633 583 A CB -1.073 17.580 19.000 -0.578 0.000 0.819 583 A HN 0.309 nan 8.150 nan 0.000 0.448 584 T N -0.312 114.163 114.554 -0.133 0.000 2.942 584 T HA 0.171 4.524 4.350 0.006 0.000 0.265 584 T C 2.193 176.871 174.700 -0.036 0.000 1.062 584 T CA 1.058 63.152 62.100 -0.010 0.000 1.139 584 T CB -0.309 68.547 68.868 -0.021 0.000 0.883 584 T HN 0.591 nan 8.240 nan 0.000 0.468 585 A N 1.380 124.166 122.820 -0.058 0.000 1.908 585 A HA -0.057 4.266 4.320 0.006 0.000 0.218 585 A C 2.195 179.709 177.584 -0.117 0.000 1.181 585 A CA 1.226 53.242 52.037 -0.036 0.000 0.627 585 A CB -0.738 18.282 19.000 0.032 0.000 0.818 585 A HN 0.507 nan 8.150 nan 0.000 0.445 586 I N -0.062 120.378 120.570 -0.217 0.000 2.072 586 I HA -0.253 3.920 4.170 0.006 0.000 0.235 586 I C 2.990 178.783 176.117 -0.539 0.000 1.058 586 I CA 2.016 63.049 61.300 -0.444 0.000 1.320 586 I CB -0.887 36.815 38.000 -0.497 0.000 1.047 586 I HN 0.548 nan 8.210 nan 0.000 0.397 587 T N -2.050 112.251 114.554 -0.422 0.000 2.759 587 T HA -0.183 4.170 4.350 0.006 0.000 0.269 587 T C 1.768 176.415 174.700 -0.089 0.000 1.042 587 T CA 2.065 63.992 62.100 -0.290 0.000 1.140 587 T CB -0.969 67.920 68.868 0.035 0.000 0.864 587 T HN 0.267 nan 8.240 nan 0.000 0.455 588 T N 1.225 115.753 114.554 -0.043 0.000 2.737 588 T HA 0.061 4.414 4.350 0.006 0.000 0.265 588 T C 1.333 176.019 174.700 -0.025 0.000 1.038 588 T CA 1.163 63.258 62.100 -0.008 0.000 1.144 588 T CB -0.636 68.227 68.868 -0.010 0.000 0.866 588 T HN 0.418 nan 8.240 nan 0.000 0.434 589 F N 2.166 122.000 119.950 -0.194 0.000 2.161 589 F HA 0.016 4.546 4.527 0.005 0.000 0.300 589 F C 2.297 177.991 175.800 -0.176 0.000 1.089 589 F CA 1.117 58.989 58.000 -0.214 0.000 1.282 589 F CB -0.790 38.029 39.000 -0.301 0.000 1.010 589 F HN 0.163 nan 8.300 nan 0.000 0.485 590 G N -0.556 108.254 108.800 0.016 0.000 2.421 590 G HA2 -0.258 3.706 3.960 0.006 0.000 0.216 590 G HA3 -0.258 3.706 3.960 0.006 0.000 0.216 590 G C 1.541 176.616 174.900 0.291 0.000 1.171 590 G CA 0.733 45.895 45.100 0.103 0.000 0.775 590 G HN 0.431 nan 8.290 nan 0.000 0.543 591 Q N -0.766 119.136 119.800 0.169 0.000 2.084 591 Q HA -0.065 4.278 4.340 0.006 0.000 0.202 591 Q C 2.471 178.504 176.000 0.055 0.000 0.978 591 Q CA 1.353 57.255 55.803 0.164 0.000 0.844 591 Q CB -0.218 28.594 28.738 0.124 0.000 0.898 591 Q HN 0.586 nan 8.270 nan 0.000 0.426 592 M N 0.119 119.701 119.600 -0.030 0.000 2.059 592 M HA -0.203 4.280 4.480 0.006 0.000 0.259 592 M C 2.168 178.493 176.300 0.041 0.000 1.072 592 M CA 1.883 57.149 55.300 -0.058 0.000 1.117 592 M CB -0.233 32.236 32.600 -0.218 0.000 1.320 592 M HN 0.213 nan 8.290 nan 0.000 0.408 593 A N 0.686 123.479 122.820 -0.045 0.000 1.884 593 A HA -0.255 4.069 4.320 0.006 0.000 0.219 593 A C 2.065 179.897 177.584 0.413 0.000 1.197 593 A CA 2.176 54.310 52.037 0.161 0.000 0.637 593 A CB -1.320 17.781 19.000 0.169 0.000 0.827 593 A HN 0.669 nan 8.150 nan 0.000 0.450 594 L N -0.267 121.152 121.223 0.326 0.000 1.994 594 L HA -0.217 4.126 4.340 0.006 0.000 0.208 594 L C 2.466 179.457 176.870 0.202 0.000 1.071 594 L CA 2.614 57.612 54.840 0.263 0.000 0.745 594 L CB -0.775 41.422 42.059 0.229 0.000 0.892 594 L HN 0.537 nan 8.230 nan 0.000 0.431 595 Q N -1.306 118.562 119.800 0.114 0.000 2.291 595 Q HA -0.215 4.128 4.340 0.006 0.000 0.205 595 Q C 1.893 177.958 176.000 0.108 0.000 0.970 595 Q CA 1.472 57.284 55.803 0.015 0.000 0.876 595 Q CB -0.474 28.155 28.738 -0.183 0.000 0.935 595 Q HN 0.776 nan 8.270 nan 0.000 0.455 596 W N 1.146 122.453 121.300 0.011 0.000 2.380 596 W HA -0.171 4.492 4.660 0.005 0.000 0.317 596 W C 1.659 178.151 176.519 -0.046 0.000 1.196 596 W CA 0.822 58.176 57.345 0.014 0.000 1.307 596 W CB -0.389 29.115 29.460 0.074 0.000 1.157 596 W HN 0.133 nan 8.180 nan 0.000 0.483 597 I N 1.969 122.703 120.570 0.273 0.000 2.454 597 I HA -0.259 3.914 4.170 0.006 0.000 0.254 597 I C 2.569 178.618 176.117 -0.112 0.000 1.156 597 I CA 2.137 63.394 61.300 -0.072 0.000 1.433 597 I CB -0.797 37.110 38.000 -0.155 0.000 1.082 597 I HN 0.195 nan 8.210 nan 0.000 0.432 598 E N 0.372 120.559 120.200 -0.022 0.000 2.077 598 E HA -0.304 4.049 4.350 0.006 0.000 0.193 598 E C 2.450 179.008 176.600 -0.070 0.000 0.989 598 E CA 1.187 57.571 56.400 -0.026 0.000 0.800 598 E CB -0.207 29.504 29.700 0.017 0.000 0.746 598 E HN 0.476 nan 8.360 nan 0.000 0.452 599 R N 0.431 120.857 120.500 -0.123 0.000 2.070 599 R HA -0.142 4.202 4.340 0.006 0.000 0.232 599 R C 2.277 178.460 176.300 -0.196 0.000 1.138 599 R CA 1.576 57.577 56.100 -0.165 0.000 0.936 599 R CB -0.019 30.131 30.300 -0.250 0.000 0.839 599 R HN -0.029 nan 8.270 nan 0.000 0.429 600 K N 0.417 120.637 120.400 -0.301 0.000 1.988 600 K HA -0.159 4.164 4.320 0.006 0.000 0.221 600 K C 2.109 178.610 176.600 -0.165 0.000 1.053 600 K CA 1.690 57.812 56.287 -0.275 0.000 0.959 600 K CB -1.065 31.225 32.500 -0.351 0.000 0.728 600 K HN 0.133 nan 8.250 nan 0.000 0.447 601 V N 2.713 122.512 119.914 -0.193 0.000 2.428 601 V HA -0.292 3.831 4.120 0.006 0.000 0.255 601 V C 2.070 178.141 176.094 -0.038 0.000 1.080 601 V CA 1.928 64.131 62.300 -0.162 0.000 1.083 601 V CB -0.563 31.134 31.823 -0.210 0.000 0.665 601 V HN 0.327 nan 8.190 nan 0.000 0.461 602 N N -0.228 118.474 118.700 0.003 0.000 2.207 602 N HA -0.097 4.647 4.740 0.006 0.000 0.182 602 N C 1.828 177.397 175.510 0.097 0.000 1.020 602 N CA 1.279 54.402 53.050 0.122 0.000 0.858 602 N CB -0.186 38.358 38.487 0.094 0.000 0.991 602 N HN 0.630 nan 8.380 nan 0.000 0.427 603 E N -0.194 120.013 120.200 0.012 0.000 2.077 603 E HA -0.213 4.141 4.350 0.006 0.000 0.193 603 E C 1.561 178.158 176.600 -0.004 0.000 0.989 603 E CA 0.866 57.262 56.400 -0.007 0.000 0.800 603 E CB -0.313 29.352 29.700 -0.059 0.000 0.746 603 E HN 0.423 nan 8.360 nan 0.000 0.452 604 Y N 1.136 121.361 120.300 -0.125 0.000 2.403 604 Y HA -0.100 4.453 4.550 0.005 0.000 0.291 604 Y C 1.644 177.442 175.900 -0.170 0.000 1.143 604 Y CA 1.091 59.105 58.100 -0.143 0.000 1.257 604 Y CB 0.170 38.523 38.460 -0.179 0.000 0.984 604 Y HN -0.062 nan 8.280 nan 0.000 0.550 605 L N -0.251 120.856 121.223 -0.194 0.000 2.640 605 L HA 0.089 4.433 4.340 0.006 0.000 0.230 605 L C 1.309 177.963 176.870 -0.359 0.000 1.123 605 L CA 0.067 54.588 54.840 -0.532 0.000 0.900 605 L CB -0.141 41.232 42.059 -1.143 0.000 1.146 605 L HN 0.131 nan 8.230 nan 0.000 0.484 606 N N -0.027 118.686 118.700 0.021 0.000 2.299 606 N HA -0.054 4.690 4.740 0.006 0.000 0.187 606 N C 1.265 176.793 175.510 0.029 0.000 1.099 606 N CA 0.356 53.532 53.050 0.211 0.000 0.867 606 N CB 1.021 39.630 38.487 0.204 0.000 0.974 606 N HN 0.495 nan 8.380 nan 0.000 0.477 607 E N 0.502 120.646 120.200 -0.092 0.000 2.098 607 E HA -0.032 4.322 4.350 0.006 0.000 0.196 607 E C 1.143 177.642 176.600 -0.168 0.000 0.955 607 E CA 0.239 56.561 56.400 -0.129 0.000 0.936 607 E CB 0.009 29.606 29.700 -0.171 0.000 1.054 607 E HN -0.047 nan 8.360 nan 0.000 0.482 608 V N 0.274 120.002 119.914 -0.309 0.000 3.442 608 V HA -0.007 4.117 4.120 0.006 0.000 0.278 608 V C 1.134 177.131 176.094 -0.162 0.000 1.215 608 V CA 0.822 62.962 62.300 -0.267 0.000 1.227 608 V CB -1.080 30.479 31.823 -0.439 0.000 0.987 608 V HN 0.520 nan 8.190 nan 0.000 0.468 609 C N -1.502 117.726 119.300 -0.120 0.000 2.813 609 C HA 0.739 5.202 4.460 0.006 0.000 0.488 609 C C 1.706 176.697 174.990 0.001 0.000 1.357 609 C CA 1.149 60.136 59.018 -0.051 0.000 2.587 609 C CB 0.728 28.434 27.740 -0.057 0.000 3.060 609 C HN 0.918 nan 8.230 nan 0.000 0.534 610 G N 0.155 108.966 108.800 0.019 0.000 1.732 610 G HA2 0.001 3.965 3.960 0.006 0.000 0.054 610 G HA3 0.001 3.965 3.960 0.006 0.000 0.054 610 G C -0.225 174.706 174.900 0.052 0.000 0.951 610 G CA 0.303 45.419 45.100 0.026 0.000 1.146 610 G HN 0.568 nan 8.290 nan 0.000 0.353 611 T N 2.420 117.015 114.554 0.069 0.000 2.656 611 T HA 0.319 4.672 4.350 0.006 0.000 0.258 611 T C 0.274 175.017 174.700 0.072 0.000 1.020 611 T CA 1.426 63.557 62.100 0.052 0.000 1.191 611 T CB 0.617 69.503 68.868 0.030 0.000 1.004 611 T HN 0.608 nan 8.240 nan 0.000 0.498 612 E N 1.502 121.722 120.200 0.033 0.000 2.248 612 E HA 0.465 4.818 4.350 0.006 0.000 0.272 612 E C 1.237 177.838 176.600 0.003 0.000 1.008 612 E CA -0.007 56.412 56.400 0.032 0.000 0.856 612 E CB 0.640 30.346 29.700 0.010 0.000 1.120 612 E HN 0.766 nan 8.360 nan 0.000 0.397 613 G N 2.710 111.512 108.800 0.003 0.000 2.225 613 G HA2 -0.223 3.741 3.960 0.006 0.000 0.254 613 G HA3 -0.223 3.741 3.960 0.006 0.000 0.254 613 G C 0.067 174.930 174.900 -0.062 0.000 0.988 613 G CA 0.211 45.296 45.100 -0.025 0.000 0.625 613 G HN 0.554 nan 8.290 nan 0.000 0.527 614 E N 0.636 120.774 120.200 -0.103 0.000 2.404 614 E HA 0.510 4.864 4.350 0.006 0.000 0.261 614 E C 0.501 176.917 176.600 -0.307 0.000 1.074 614 E CA 0.582 56.819 56.400 -0.271 0.000 0.917 614 E CB 1.114 30.512 29.700 -0.502 0.000 0.965 614 E HN 0.912 nan 8.360 nan 0.000 0.433 615 A N 2.943 125.570 122.820 -0.321 0.000 2.256 615 A HA 0.395 4.719 4.320 0.006 0.000 0.317 615 A C 0.052 177.465 177.584 -0.285 0.000 1.318 615 A CA -0.514 51.408 52.037 -0.193 0.000 0.894 615 A CB -0.134 18.807 19.000 -0.097 0.000 1.165 615 A HN 0.524 nan 8.150 nan 0.000 0.525 616 F N 2.223 122.175 119.950 0.003 0.000 2.262 616 F HA 0.037 4.567 4.527 0.006 0.000 0.292 616 F C 1.238 177.032 175.800 -0.009 0.000 1.081 616 F CA 0.644 58.653 58.000 0.015 0.000 1.355 616 F CB 0.057 39.078 39.000 0.035 0.000 1.069 616 F HN 0.285 nan 8.300 nan 0.000 0.506 617 V N 4.013 124.021 119.914 0.156 0.000 2.403 617 V HA -0.059 4.065 4.120 0.006 0.000 0.265 617 V C 0.956 177.038 176.094 -0.019 0.000 1.034 617 V CA 0.014 62.355 62.300 0.069 0.000 1.036 617 V CB 0.141 32.000 31.823 0.061 0.000 1.032 617 V HN 0.245 nan 8.190 nan 0.000 0.478 618 L N 4.016 125.161 121.223 -0.130 0.000 2.307 618 L HA 0.436 4.779 4.340 0.006 0.000 0.211 618 L C 0.430 177.123 176.870 -0.295 0.000 1.099 618 L CA 0.810 55.464 54.840 -0.309 0.000 0.816 618 L CB -0.490 41.138 42.059 -0.719 0.000 0.952 618 L HN 0.503 nan 8.230 nan 0.000 0.455 619 Y N -0.709 119.353 120.300 -0.395 0.000 2.670 619 Y HA 0.710 5.263 4.550 0.005 0.000 0.334 619 Y C -0.668 175.241 175.900 0.015 0.000 1.185 619 Y CA -0.730 57.180 58.100 -0.316 0.000 1.053 619 Y CB 1.881 39.911 38.460 -0.717 0.000 1.298 619 Y HN 0.012 nan 8.280 nan 0.000 0.459 620 G N 2.251 110.604 108.800 -0.745 0.000 2.655 620 G HA2 0.400 4.363 3.960 0.006 0.000 0.296 620 G HA3 0.400 4.363 3.960 0.006 0.000 0.296 620 G C -2.751 171.755 174.900 -0.657 0.000 1.485 620 G CA -0.616 44.217 45.100 -0.445 0.000 0.869 620 G HN 0.473 nan 8.290 nan 0.000 0.540 621 D N 0.504 120.723 120.400 -0.301 0.000 2.478 621 D HA 0.504 5.147 4.640 0.006 0.000 0.240 621 D C 1.103 177.397 176.300 -0.011 0.000 1.364 621 D CA 0.713 54.616 54.000 -0.161 0.000 0.987 621 D CB 1.271 42.013 40.800 -0.097 0.000 1.328 621 D HN 0.563 nan 8.370 nan 0.000 0.584 622 T N 2.508 117.103 114.554 0.070 0.000 13.132 622 T HA -0.292 4.061 4.350 0.006 0.000 0.419 622 T C 0.591 175.332 174.700 0.068 0.000 1.442 622 T CA 1.974 64.167 62.100 0.154 0.000 2.366 622 T CB -1.091 67.842 68.868 0.108 0.000 2.813 622 T HN 0.638 nan 8.240 nan 0.000 0.650 623 D N 1.351 121.639 120.400 -0.188 0.000 2.651 623 D HA 0.362 5.005 4.640 0.006 0.000 0.280 623 D C -0.039 176.092 176.300 -0.281 0.000 1.496 623 D CA 0.524 54.175 54.000 -0.581 0.000 0.792 623 D CB -0.073 39.895 40.800 -1.387 0.000 1.144 623 D HN 0.754 nan 8.370 nan 0.000 0.470 624 S N 0.100 115.741 115.700 -0.099 0.000 2.599 624 S HA 0.846 5.319 4.470 0.006 0.000 0.287 624 S C -0.233 174.378 174.600 0.018 0.000 1.105 624 S CA -0.928 57.250 58.200 -0.036 0.000 0.899 624 S CB 1.914 65.122 63.200 0.014 0.000 1.100 624 S HN 0.375 nan 8.310 nan 0.000 0.482 625 I N -1.409 119.156 120.570 -0.008 0.000 2.656 625 I HA 0.589 4.763 4.170 0.006 0.000 0.292 625 I C -2.115 173.983 176.117 -0.030 0.000 1.144 625 I CA -1.182 60.155 61.300 0.063 0.000 1.038 625 I CB 1.682 39.713 38.000 0.052 0.000 1.244 625 I HN 0.613 nan 8.210 nan 0.000 0.420 626 Y N 4.689 125.026 120.300 0.062 0.000 2.478 626 Y HA 0.518 5.072 4.550 0.006 0.000 0.329 626 Y C -0.109 175.815 175.900 0.040 0.000 0.967 626 Y CA -0.994 57.155 58.100 0.082 0.000 1.255 626 Y CB 1.712 40.199 38.460 0.044 0.000 1.103 626 Y HN 0.326 nan 8.280 nan 0.000 0.497 627 V N 2.869 122.917 119.914 0.224 0.000 2.389 627 V HA 0.132 4.256 4.120 0.006 0.000 0.264 627 V C 0.580 176.819 176.094 0.242 0.000 1.049 627 V CA -0.645 61.789 62.300 0.223 0.000 0.932 627 V CB 1.121 33.090 31.823 0.245 0.000 1.011 627 V HN 0.798 nan 8.190 nan 0.000 0.475 628 S N 4.237 120.059 115.700 0.204 0.000 2.544 628 S HA 0.266 4.739 4.470 0.006 0.000 0.290 628 S C 1.097 175.886 174.600 0.316 0.000 1.276 628 S CA 0.144 58.481 58.200 0.229 0.000 1.075 628 S CB 0.766 64.074 63.200 0.180 0.000 0.849 628 S HN 1.011 nan 8.310 nan 0.000 0.494 629 A N 4.294 127.291 122.820 0.295 0.000 2.348 629 A HA 0.229 4.553 4.320 0.006 0.000 0.224 629 A C 1.366 179.029 177.584 0.132 0.000 1.227 629 A CA 0.190 52.377 52.037 0.251 0.000 0.885 629 A CB -0.281 18.885 19.000 0.277 0.000 0.933 629 A HN 0.820 nan 8.150 nan 0.000 0.506 630 D N 1.254 121.724 120.400 0.116 0.000 2.230 630 D HA -0.248 4.396 4.640 0.006 0.000 0.189 630 D C 1.782 178.051 176.300 -0.051 0.000 1.006 630 D CA 2.055 56.028 54.000 -0.046 0.000 0.853 630 D CB -0.107 40.719 40.800 0.044 0.000 0.959 630 D HN 0.469 nan 8.370 nan 0.000 0.449 631 K N -0.172 120.278 120.400 0.084 0.000 2.103 631 K HA -0.103 4.221 4.320 0.006 0.000 0.207 631 K C 2.103 178.729 176.600 0.044 0.000 1.048 631 K CA 0.635 56.978 56.287 0.093 0.000 0.930 631 K CB -0.082 32.563 32.500 0.242 0.000 0.716 631 K HN 0.177 nan 8.250 nan 0.000 0.444 632 I N 1.407 122.000 120.570 0.039 0.000 2.264 632 I HA -0.264 3.910 4.170 0.006 0.000 0.248 632 I C 2.189 178.333 176.117 0.044 0.000 1.111 632 I CA 1.367 62.630 61.300 -0.062 0.000 1.382 632 I CB -0.811 37.100 38.000 -0.149 0.000 1.060 632 I HN 0.149 nan 8.210 nan 0.000 0.418 633 I N 0.399 120.981 120.570 0.020 0.000 2.277 633 I HA -0.176 3.997 4.170 0.006 0.000 0.243 633 I C 2.208 178.317 176.117 -0.013 0.000 1.094 633 I CA 1.063 62.387 61.300 0.040 0.000 1.393 633 I CB -1.258 36.525 38.000 -0.362 0.000 1.078 633 I HN 0.183 nan 8.210 nan 0.000 0.417 634 D N 1.481 121.831 120.400 -0.083 0.000 2.133 634 D HA -0.217 4.426 4.640 0.006 0.000 0.192 634 D C 2.094 178.366 176.300 -0.046 0.000 1.001 634 D CA 1.097 55.057 54.000 -0.066 0.000 0.844 634 D CB -0.180 40.588 40.800 -0.053 0.000 0.944 634 D HN 0.178 nan 8.370 nan 0.000 0.447 635 K N 0.386 120.768 120.400 -0.029 0.000 2.097 635 K HA -0.164 4.159 4.320 0.006 0.000 0.214 635 K C 2.008 178.562 176.600 -0.077 0.000 1.052 635 K CA 1.005 57.269 56.287 -0.038 0.000 0.932 635 K CB -0.371 32.113 32.500 -0.026 0.000 0.716 635 K HN 0.141 nan 8.250 nan 0.000 0.455 636 V N -0.953 118.895 119.914 -0.109 0.000 3.565 636 V HA 0.132 4.256 4.120 0.006 0.000 0.260 636 V C 0.897 176.831 176.094 -0.266 0.000 1.231 636 V CA 0.483 62.637 62.300 -0.243 0.000 1.100 636 V CB -0.097 31.447 31.823 -0.465 0.000 0.807 636 V HN 0.571 nan 8.190 nan 0.000 0.454 637 G N 1.931 110.647 108.800 -0.140 0.000 2.819 637 G HA2 -0.235 3.728 3.960 0.006 0.000 0.682 637 G HA3 -0.235 3.728 3.960 0.006 0.000 0.682 637 G C 0.644 175.498 174.900 -0.076 0.000 1.481 637 G CA 0.177 45.219 45.100 -0.097 0.000 0.904 637 G HN 0.410 nan 8.290 nan 0.000 0.563 638 E N 0.731 120.966 120.200 0.057 0.000 2.409 638 E HA -0.030 4.323 4.350 0.006 0.000 0.198 638 E C 2.386 179.025 176.600 0.065 0.000 1.024 638 E CA 2.095 58.634 56.400 0.231 0.000 0.861 638 E CB -0.785 29.014 29.700 0.166 0.000 0.788 638 E HN 1.379 nan 8.360 nan 0.000 0.521 639 S N 2.536 118.183 115.700 -0.088 0.000 2.492 639 S HA -0.287 4.186 4.470 0.006 0.000 0.234 639 S C 2.027 176.539 174.600 -0.146 0.000 1.050 639 S CA 2.467 60.603 58.200 -0.107 0.000 1.203 639 S CB -0.792 62.326 63.200 -0.137 0.000 1.161 639 S HN 0.313 nan 8.310 nan 0.000 0.417 640 K N 0.070 120.274 120.400 -0.327 0.000 2.293 640 K HA -0.057 4.266 4.320 0.006 0.000 0.204 640 K C -0.506 176.041 176.600 -0.088 0.000 1.045 640 K CA 0.430 56.550 56.287 -0.278 0.000 0.933 640 K CB -0.465 31.768 32.500 -0.445 0.000 0.736 640 K HN 0.516 nan 8.250 nan 0.000 0.463 641 F N 1.733 121.705 119.950 0.037 0.000 2.487 641 F HA 0.078 4.607 4.527 0.004 0.000 0.364 641 F C 1.353 177.330 175.800 0.295 0.000 1.126 641 F CA -0.693 57.431 58.000 0.206 0.000 1.135 641 F CB 0.641 39.694 39.000 0.088 0.000 1.127 641 F HN -0.042 nan 8.300 nan 0.000 0.559 642 R N 1.409 122.249 120.500 0.565 0.000 2.062 642 R HA -0.067 4.277 4.340 0.006 0.000 0.231 642 R C -0.346 176.076 176.300 0.202 0.000 1.136 642 R CA 1.386 57.624 56.100 0.231 0.000 0.948 642 R CB -0.361 29.977 30.300 0.064 0.000 0.845 642 R HN 0.630 nan 8.270 nan 0.000 0.430 643 D N -3.162 117.364 120.400 0.211 0.000 2.626 643 D HA 0.169 4.812 4.640 0.006 0.000 0.278 643 D C 0.158 176.489 176.300 0.051 0.000 1.211 643 D CA -0.753 53.319 54.000 0.118 0.000 0.903 643 D CB 0.558 41.379 40.800 0.036 0.000 1.408 643 D HN -0.292 nan 8.370 nan 0.000 0.454 644 T N -0.384 114.128 114.554 -0.069 0.000 2.594 644 T HA -0.257 4.096 4.350 0.006 0.000 0.266 644 T C 1.501 175.655 174.700 -0.910 0.000 1.070 644 T CA 1.991 63.843 62.100 -0.413 0.000 1.166 644 T CB -0.618 67.879 68.868 -0.617 0.000 0.862 644 T HN 0.524 nan 8.240 nan 0.000 0.436 645 N N 0.197 118.564 118.700 -0.555 0.000 2.242 645 N HA -0.176 4.567 4.740 0.006 0.000 0.191 645 N C 1.605 176.931 175.510 -0.306 0.000 1.005 645 N CA 1.530 54.322 53.050 -0.430 0.000 0.877 645 N CB -0.352 38.025 38.487 -0.184 0.000 0.983 645 N HN 0.690 nan 8.380 nan 0.000 0.439 646 H N -0.502 118.392 119.070 -0.293 0.000 2.256 646 H HA -0.131 4.430 4.556 0.009 0.000 0.301 646 H C 2.276 177.574 175.328 -0.050 0.000 1.062 646 H CA 1.727 57.749 56.048 -0.042 0.000 1.283 646 H CB -0.335 29.550 29.762 0.206 0.000 1.379 646 H HN 0.409 nan 8.280 nan 0.000 0.493 647 W N 0.777 121.890 121.300 -0.312 0.000 2.350 647 W HA -0.122 4.542 4.660 0.007 0.000 0.289 647 W C 1.593 178.068 176.519 -0.074 0.000 1.215 647 W CA 0.785 57.801 57.345 -0.549 0.000 1.236 647 W CB -1.278 27.481 29.460 -1.169 0.000 1.130 647 W HN 0.082 nan 8.180 nan 0.000 0.541 648 V N 1.906 121.325 119.914 -0.826 0.000 2.295 648 V HA -0.313 3.810 4.120 0.006 0.000 0.246 648 V C 2.326 178.326 176.094 -0.157 0.000 1.049 648 V CA 2.629 64.547 62.300 -0.636 0.000 1.024 648 V CB -1.083 30.172 31.823 -0.946 0.000 0.648 648 V HN 0.012 nan 8.190 nan 0.000 0.447 649 D N -0.859 119.488 120.400 -0.089 0.000 2.219 649 D HA -0.157 4.487 4.640 0.006 0.000 0.205 649 D C 1.829 178.251 176.300 0.204 0.000 0.970 649 D CA 0.842 54.878 54.000 0.061 0.000 0.851 649 D CB -0.097 40.761 40.800 0.096 0.000 0.943 649 D HN 0.420 nan 8.370 nan 0.000 0.488 650 F N 0.879 120.905 119.950 0.127 0.000 2.113 650 F HA -0.027 4.503 4.527 0.005 0.000 0.297 650 F C 1.942 177.875 175.800 0.221 0.000 1.103 650 F CA 1.090 59.211 58.000 0.203 0.000 1.248 650 F CB -0.573 38.593 39.000 0.276 0.000 0.999 650 F HN -0.087 nan 8.300 nan 0.000 0.475 651 L N 0.122 121.322 121.223 -0.039 0.000 2.056 651 L HA -0.186 4.157 4.340 0.006 0.000 0.207 651 L C 2.254 179.139 176.870 0.025 0.000 1.078 651 L CA 1.732 56.531 54.840 -0.070 0.000 0.749 651 L CB -0.954 41.200 42.059 0.158 0.000 0.901 651 L HN 0.182 nan 8.230 nan 0.000 0.433 652 D N 0.603 121.022 120.400 0.031 0.000 2.108 652 D HA -0.291 4.352 4.640 0.006 0.000 0.190 652 D C 2.177 178.496 176.300 0.032 0.000 0.995 652 D CA 1.756 55.763 54.000 0.013 0.000 0.834 652 D CB 0.002 40.804 40.800 0.003 0.000 0.967 652 D HN 0.043 nan 8.370 nan 0.000 0.446 653 K N -1.107 119.332 120.400 0.064 0.000 2.089 653 K HA -0.224 4.099 4.320 0.006 0.000 0.210 653 K C 2.275 178.935 176.600 0.099 0.000 1.048 653 K CA 1.498 57.840 56.287 0.091 0.000 0.926 653 K CB -0.547 32.048 32.500 0.157 0.000 0.714 653 K HN 0.311 nan 8.250 nan 0.000 0.448 654 F N 0.370 120.248 119.950 -0.120 0.000 2.186 654 F HA -0.128 4.402 4.527 0.005 0.000 0.299 654 F C 1.985 177.771 175.800 -0.023 0.000 1.090 654 F CA 1.195 59.119 58.000 -0.127 0.000 1.307 654 F CB -0.068 38.727 39.000 -0.342 0.000 1.019 654 F HN 0.107 nan 8.300 nan 0.000 0.489 655 A N 0.577 123.376 122.820 -0.035 0.000 1.897 655 A HA -0.148 4.175 4.320 0.006 0.000 0.215 655 A C 2.224 179.796 177.584 -0.021 0.000 1.181 655 A CA 1.498 53.532 52.037 -0.004 0.000 0.620 655 A CB -0.730 18.328 19.000 0.096 0.000 0.821 655 A HN 0.476 nan 8.150 nan 0.000 0.443 656 R N -0.177 120.311 120.500 -0.019 0.000 2.073 656 R HA -0.078 4.265 4.340 0.006 0.000 0.229 656 R C 1.855 178.131 176.300 -0.040 0.000 1.120 656 R CA 1.706 57.797 56.100 -0.015 0.000 0.967 656 R CB -0.211 30.086 30.300 -0.004 0.000 0.862 656 R HN 0.617 nan 8.270 nan 0.000 0.436 657 E N -0.791 119.382 120.200 -0.044 0.000 2.140 657 E HA -0.027 4.327 4.350 0.006 0.000 0.191 657 E C 2.004 178.548 176.600 -0.094 0.000 0.973 657 E CA 0.424 56.803 56.400 -0.035 0.000 0.829 657 E CB 0.317 30.034 29.700 0.029 0.000 0.781 657 E HN 0.209 nan 8.360 nan 0.000 0.466 658 R N 0.006 120.368 120.500 -0.231 0.000 2.009 658 R HA 0.172 4.516 4.340 0.006 0.000 0.206 658 R C 2.328 178.326 176.300 -0.505 0.000 1.356 658 R CA 0.345 56.244 56.100 -0.334 0.000 1.088 658 R CB -0.684 29.271 30.300 -0.575 0.000 0.959 658 R HN 0.113 nan 8.270 nan 0.000 0.469 659 M N 1.670 120.866 119.600 -0.674 0.000 2.800 659 M HA -0.229 4.255 4.480 0.006 0.000 0.271 659 M C 2.099 178.094 176.300 -0.508 0.000 1.059 659 M CA 1.909 56.825 55.300 -0.639 0.000 1.071 659 M CB -1.341 31.016 32.600 -0.405 0.000 1.227 659 M HN 0.202 nan 8.290 nan 0.000 0.505 660 E N -0.388 119.665 120.200 -0.244 0.000 2.086 660 E HA -0.242 4.111 4.350 0.006 0.000 0.205 660 E C -0.345 176.158 176.600 -0.161 0.000 1.027 660 E CA 1.990 58.312 56.400 -0.130 0.000 0.830 660 E CB -1.423 28.286 29.700 0.015 0.000 0.751 660 E HN 0.434 nan 8.360 nan 0.000 0.456 661 P HA -0.253 nan 4.420 nan 0.000 0.216 661 P C 1.111 178.300 177.300 -0.185 0.000 1.157 661 P CA 2.187 65.208 63.100 -0.132 0.000 0.880 661 P CB -0.059 31.571 31.700 -0.117 0.000 0.791 662 A N -0.790 121.813 122.820 -0.362 0.000 1.858 662 A HA -0.192 4.132 4.320 0.006 0.000 0.216 662 A C 2.236 179.620 177.584 -0.333 0.000 1.190 662 A CA 1.606 53.382 52.037 -0.434 0.000 0.617 662 A CB -1.660 16.727 19.000 -1.022 0.000 0.827 662 A HN 0.099 nan 8.150 nan 0.000 0.443 663 I N -0.385 119.958 120.570 -0.378 0.000 2.264 663 I HA -0.288 3.885 4.170 0.006 0.000 0.248 663 I C 2.233 178.266 176.117 -0.139 0.000 1.111 663 I CA 2.015 63.120 61.300 -0.324 0.000 1.382 663 I CB -0.463 37.349 38.000 -0.314 0.000 1.060 663 I HN 0.409 nan 8.210 nan 0.000 0.418 664 D N 0.604 120.995 120.400 -0.013 0.000 2.144 664 D HA -0.164 4.479 4.640 0.006 0.000 0.199 664 D C 2.375 178.721 176.300 0.076 0.000 0.984 664 D CA 1.172 55.263 54.000 0.152 0.000 0.834 664 D CB 0.126 41.010 40.800 0.139 0.000 0.955 664 D HN 0.144 nan 8.370 nan 0.000 0.465 665 R N -0.424 120.067 120.500 -0.015 0.000 2.092 665 R HA -0.006 4.338 4.340 0.006 0.000 0.231 665 R C 2.440 178.747 176.300 0.012 0.000 1.119 665 R CA 1.083 57.173 56.100 -0.017 0.000 0.970 665 R CB -0.407 29.872 30.300 -0.036 0.000 0.864 665 R HN 0.200 nan 8.270 nan 0.000 0.440 666 G N 0.522 109.301 108.800 -0.034 0.000 2.418 666 G HA2 -0.235 3.729 3.960 0.006 0.000 0.217 666 G HA3 -0.235 3.729 3.960 0.006 0.000 0.217 666 G C 0.986 176.041 174.900 0.258 0.000 1.158 666 G CA 0.572 45.691 45.100 0.031 0.000 0.771 666 G HN 0.172 nan 8.290 nan 0.000 0.545 667 F N 0.488 120.564 119.950 0.209 0.000 2.512 667 F HA 0.290 4.820 4.527 0.005 0.000 0.296 667 F C 2.711 178.482 175.800 -0.049 0.000 1.110 667 F CA 0.111 58.192 58.000 0.135 0.000 1.446 667 F CB -0.090 39.075 39.000 0.276 0.000 1.092 667 F HN -0.003 nan 8.300 nan 0.000 0.554 668 R N 0.108 120.590 120.500 -0.030 0.000 2.148 668 R HA -0.142 4.201 4.340 0.006 0.000 0.227 668 R C 2.104 178.377 176.300 -0.045 0.000 1.103 668 R CA 1.288 57.228 56.100 -0.267 0.000 0.983 668 R CB -0.242 29.909 30.300 -0.247 0.000 0.874 668 R HN 0.367 nan 8.270 nan 0.000 0.451 669 E N 0.856 121.102 120.200 0.076 0.000 2.051 669 E HA -0.157 4.197 4.350 0.006 0.000 0.189 669 E C 1.996 178.655 176.600 0.098 0.000 0.979 669 E CA 0.650 57.134 56.400 0.141 0.000 0.803 669 E CB 0.031 29.894 29.700 0.272 0.000 0.761 669 E HN 0.168 nan 8.360 nan 0.000 0.451 670 M N 0.687 120.259 119.600 -0.047 0.000 2.267 670 M HA -0.167 4.317 4.480 0.006 0.000 0.263 670 M C 2.389 178.569 176.300 -0.201 0.000 1.063 670 M CA 1.310 56.264 55.300 -0.578 0.000 1.090 670 M CB -0.262 31.620 32.600 -1.196 0.000 1.392 670 M HN 0.410 nan 8.290 nan 0.000 0.422 671 C N 0.965 120.244 119.300 -0.035 0.000 2.453 671 C HA -0.093 4.370 4.460 0.006 0.000 0.277 671 C C 2.496 177.505 174.990 0.032 0.000 1.262 671 C CA 1.074 60.113 59.018 0.036 0.000 1.718 671 C CB -0.880 26.904 27.740 0.074 0.000 2.031 671 C HN 0.549 nan 8.230 nan 0.000 0.480 672 E N -0.279 119.946 120.200 0.043 0.000 2.051 672 E HA -0.177 4.176 4.350 0.006 0.000 0.192 672 E C 1.872 178.536 176.600 0.107 0.000 0.991 672 E CA 1.300 57.736 56.400 0.060 0.000 0.799 672 E CB -0.937 28.799 29.700 0.061 0.000 0.748 672 E HN 0.824 nan 8.360 nan 0.000 0.449 673 Y N 1.087 121.361 120.300 -0.045 0.000 2.139 673 Y HA -0.219 4.334 4.550 0.006 0.000 0.282 673 Y C 2.020 177.878 175.900 -0.071 0.000 1.179 673 Y CA 1.450 59.525 58.100 -0.041 0.000 1.161 673 Y CB -0.178 38.237 38.460 -0.074 0.000 0.970 673 Y HN -0.032 nan 8.280 nan 0.000 0.511 674 M N -0.072 119.471 119.600 -0.094 0.000 2.556 674 M HA 0.026 4.509 4.480 0.006 0.000 0.245 674 M C 0.662 176.909 176.300 -0.087 0.000 1.128 674 M CA 0.736 55.923 55.300 -0.189 0.000 1.069 674 M CB -1.459 31.072 32.600 -0.115 0.000 1.469 674 M HN 0.406 nan 8.290 nan 0.000 0.494 675 N N 2.621 121.304 118.700 -0.028 0.000 2.725 675 N HA -0.206 4.537 4.740 0.006 0.000 0.251 675 N C -0.931 174.577 175.510 -0.003 0.000 1.031 675 N CA 0.344 53.386 53.050 -0.012 0.000 0.720 675 N CB -1.391 37.076 38.487 -0.034 0.000 0.930 675 N HN 0.523 nan 8.380 nan 0.000 0.543 676 N N 0.287 118.988 118.700 0.002 0.000 2.467 676 N HA 0.087 4.830 4.740 0.006 0.000 0.262 676 N C 1.212 176.714 175.510 -0.013 0.000 1.234 676 N CA -0.338 52.702 53.050 -0.017 0.000 0.952 676 N CB 0.787 39.252 38.487 -0.036 0.000 1.158 676 N HN 0.303 nan 8.380 nan 0.000 0.463 677 K N 0.801 121.180 120.400 -0.034 0.000 1.978 677 K HA -0.211 4.113 4.320 0.006 0.000 0.214 677 K C 0.314 176.906 176.600 -0.013 0.000 1.049 677 K CA 1.481 57.756 56.287 -0.019 0.000 0.939 677 K CB 0.124 32.600 32.500 -0.039 0.000 0.721 677 K HN 0.639 nan 8.250 nan 0.000 0.441 678 Q N 0.056 119.831 119.800 -0.041 0.000 2.271 678 Q HA 0.051 4.394 4.340 0.006 0.000 0.268 678 Q C -1.684 174.304 176.000 -0.019 0.000 1.021 678 Q CA -0.801 54.998 55.803 -0.007 0.000 0.802 678 Q CB 1.322 30.051 28.738 -0.015 0.000 1.282 678 Q HN 0.344 nan 8.270 nan 0.000 0.431 679 H N 4.804 123.849 119.070 -0.042 0.000 3.184 679 H HA 0.109 4.668 4.556 0.005 0.000 0.274 679 H C -0.653 174.565 175.328 -0.184 0.000 0.962 679 H CA 0.940 56.950 56.048 -0.062 0.000 1.441 679 H CB 0.192 29.988 29.762 0.056 0.000 1.518 679 H HN 0.689 nan 8.280 nan 0.000 0.539 680 L N 5.214 125.949 121.223 -0.813 0.000 3.429 680 L HA 0.189 4.533 4.340 0.006 0.000 0.311 680 L C -0.242 175.699 176.870 -1.549 0.000 1.274 680 L CA -0.202 53.812 54.840 -1.377 0.000 1.037 680 L CB 0.302 41.893 42.059 -0.781 0.000 1.433 680 L HN 0.599 nan 8.230 nan 0.000 0.614 681 M N 1.634 120.534 119.600 -1.167 0.000 2.974 681 M HA 0.276 4.760 4.480 0.006 0.000 0.301 681 M C -0.956 175.076 176.300 -0.447 0.000 1.409 681 M CA 0.056 54.910 55.300 -0.744 0.000 1.515 681 M CB -0.613 31.551 32.600 -0.727 0.000 1.163 681 M HN -0.102 nan 8.290 nan 0.000 0.520 682 F N 2.798 122.652 119.950 -0.160 0.000 2.371 682 F HA 0.491 5.022 4.527 0.006 0.000 0.363 682 F C 0.393 176.233 175.800 0.067 0.000 1.122 682 F CA -1.085 56.911 58.000 -0.007 0.000 1.129 682 F CB 0.502 39.487 39.000 -0.025 0.000 1.173 682 F HN 0.411 nan 8.300 nan 0.000 0.489 683 M N 4.653 124.473 119.600 0.367 0.000 2.114 683 M HA 0.442 4.925 4.480 0.006 0.000 0.332 683 M C -1.555 174.917 176.300 0.287 0.000 1.014 683 M CA -0.277 55.206 55.300 0.306 0.000 0.956 683 M CB 0.637 33.486 32.600 0.415 0.000 1.551 683 M HN 0.426 nan 8.290 nan 0.000 0.427 684 D N 3.273 123.810 120.400 0.229 0.000 2.392 684 D HA 0.387 5.031 4.640 0.006 0.000 0.246 684 D C -0.628 175.730 176.300 0.097 0.000 1.013 684 D CA -0.492 53.616 54.000 0.179 0.000 0.993 684 D CB 1.289 42.134 40.800 0.075 0.000 1.219 684 D HN 0.580 nan 8.370 nan 0.000 0.538 685 R N 0.689 121.108 120.500 -0.135 0.000 2.590 685 R HA 0.028 4.372 4.340 0.006 0.000 0.274 685 R C 0.266 176.334 176.300 -0.388 0.000 1.061 685 R CA 0.280 55.962 56.100 -0.697 0.000 1.081 685 R CB 0.839 30.785 30.300 -0.590 0.000 0.984 685 R HN 0.475 nan 8.270 nan 0.000 0.448 686 E N 2.215 122.157 120.200 -0.431 0.000 2.357 686 E HA 0.293 4.646 4.350 0.006 0.000 0.190 686 E C -0.859 175.635 176.600 -0.177 0.000 1.022 686 E CA 0.463 56.727 56.400 -0.225 0.000 1.068 686 E CB 0.353 29.938 29.700 -0.192 0.000 1.465 686 E HN 0.666 nan 8.360 nan 0.000 0.503 687 A N 0.561 123.284 122.820 -0.162 0.000 2.337 687 A HA 0.694 5.018 4.320 0.006 0.000 0.331 687 A C -0.913 176.665 177.584 -0.010 0.000 1.137 687 A CA -0.586 51.425 52.037 -0.043 0.000 0.807 687 A CB 0.819 19.854 19.000 0.059 0.000 1.250 687 A HN 0.326 nan 8.150 nan 0.000 0.468 688 I N 1.636 122.257 120.570 0.085 0.000 2.420 688 I HA 0.520 4.693 4.170 0.006 0.000 0.282 688 I C 0.219 176.553 176.117 0.361 0.000 1.019 688 I CA -0.144 61.270 61.300 0.190 0.000 1.130 688 I CB 1.512 39.596 38.000 0.139 0.000 1.262 688 I HN 0.715 nan 8.210 nan 0.000 0.454 689 A N 4.650 127.711 122.820 0.402 0.000 2.374 689 A HA 1.025 5.348 4.320 0.006 0.000 0.317 689 A C -0.168 177.686 177.584 0.450 0.000 1.094 689 A CA -0.502 51.810 52.037 0.459 0.000 0.765 689 A CB 1.855 21.042 19.000 0.312 0.000 1.268 689 A HN 0.830 nan 8.150 nan 0.000 0.438 690 G N 0.460 109.560 108.800 0.500 0.000 2.356 690 G HA2 0.621 4.585 3.960 0.006 0.000 0.294 690 G HA3 0.621 4.585 3.960 0.006 0.000 0.294 690 G C -3.589 171.498 174.900 0.311 0.000 1.423 690 G CA -0.590 44.502 45.100 -0.013 0.000 0.806 690 G HN 0.607 nan 8.290 nan 0.000 0.527 691 P HA 0.419 nan 4.420 nan 0.000 0.285 691 P C -2.775 174.728 177.300 0.339 0.000 1.269 691 P CA -1.852 61.385 63.100 0.228 0.000 0.844 691 P CB 1.600 33.347 31.700 0.079 0.000 1.094 692 P HA 0.056 nan 4.420 nan 0.000 0.264 692 P C 0.512 177.940 177.300 0.214 0.000 1.193 692 P CA 0.137 63.462 63.100 0.374 0.000 0.763 692 P CB 0.500 32.465 31.700 0.442 0.000 0.810 693 L N 2.752 124.097 121.223 0.202 0.000 2.693 693 L HA -0.128 4.215 4.340 0.006 0.000 0.292 693 L C 1.582 178.533 176.870 0.136 0.000 1.243 693 L CA 1.337 56.285 54.840 0.180 0.000 0.903 693 L CB -0.794 41.393 42.059 0.213 0.000 1.160 693 L HN 0.871 nan 8.230 nan 0.000 0.496 694 G N 2.535 111.405 108.800 0.116 0.000 2.323 694 G HA2 -0.274 3.690 3.960 0.006 0.000 0.292 694 G HA3 -0.274 3.690 3.960 0.006 0.000 0.292 694 G C 0.190 175.146 174.900 0.093 0.000 1.040 694 G CA 0.514 45.673 45.100 0.098 0.000 0.942 694 G HN 0.912 nan 8.290 nan 0.000 0.506 695 S N -2.639 113.120 115.700 0.098 0.000 2.677 695 S HA 0.859 5.332 4.470 0.006 0.000 0.304 695 S C 0.890 175.540 174.600 0.084 0.000 1.108 695 S CA 0.398 58.656 58.200 0.097 0.000 0.944 695 S CB 2.001 65.273 63.200 0.121 0.000 1.127 695 S HN 1.327 nan 8.310 nan 0.000 0.511 696 K N 0.166 120.613 120.400 0.078 0.000 2.444 696 K HA 0.423 4.747 4.320 0.006 0.000 0.193 696 K C 0.892 177.535 176.600 0.071 0.000 1.024 696 K CA 0.242 56.569 56.287 0.067 0.000 1.077 696 K CB -0.895 31.639 32.500 0.058 0.000 0.833 696 K HN 1.095 nan 8.250 nan 0.000 0.517 697 G N 1.106 109.958 108.800 0.087 0.000 2.378 697 G HA2 0.373 4.337 3.960 0.006 0.000 0.255 697 G HA3 0.373 4.337 3.960 0.006 0.000 0.255 697 G C 0.965 175.923 174.900 0.097 0.000 1.270 697 G CA -0.101 45.056 45.100 0.096 0.000 0.876 697 G HN 0.652 nan 8.290 nan 0.000 0.521 698 I N 1.028 121.659 120.570 0.101 0.000 3.001 698 I HA 0.145 4.318 4.170 0.006 0.000 0.268 698 I C 1.465 177.670 176.117 0.147 0.000 1.267 698 I CA 0.321 61.690 61.300 0.115 0.000 1.472 698 I CB -0.444 37.623 38.000 0.112 0.000 1.089 698 I HN 0.612 nan 8.210 nan 0.000 0.468 699 G N 1.907 110.796 108.800 0.147 0.000 2.369 699 G HA2 0.071 4.035 3.960 0.006 0.000 0.286 699 G HA3 0.071 4.035 3.960 0.006 0.000 0.286 699 G C 0.455 175.474 174.900 0.199 0.000 0.938 699 G CA 0.460 45.652 45.100 0.155 0.000 1.271 699 G HN 1.577 nan 8.290 nan 0.000 0.488 700 G N -1.048 107.890 108.800 0.230 0.000 2.841 700 G HA2 0.599 4.563 3.960 0.006 0.000 0.684 700 G HA3 0.599 4.563 3.960 0.006 0.000 0.684 700 G C -0.480 174.682 174.900 0.436 0.000 1.273 700 G CA -0.203 45.052 45.100 0.258 0.000 0.811 700 G HN 2.145 nan 8.290 nan 0.000 0.631 701 F N -0.867 119.229 119.950 0.242 0.000 2.770 701 F HA 0.885 5.415 4.527 0.005 0.000 0.313 701 F C -1.502 174.465 175.800 0.279 0.000 1.154 701 F CA -1.959 56.230 58.000 0.316 0.000 0.923 701 F CB 1.049 40.114 39.000 0.108 0.000 1.301 701 F HN 0.646 nan 8.300 nan 0.000 0.449 702 W N 1.189 122.710 121.300 0.368 0.000 2.950 702 W HA 0.423 5.086 4.660 0.005 0.000 0.340 702 W C -0.011 176.645 176.519 0.227 0.000 1.139 702 W CA -0.221 57.222 57.345 0.164 0.000 1.188 702 W CB 2.769 32.272 29.460 0.071 0.000 1.426 702 W HN 0.868 nan 8.180 nan 0.000 0.531 703 T N -1.406 113.337 114.554 0.314 0.000 2.954 703 T HA 0.467 4.820 4.350 0.006 0.000 0.252 703 T C 0.415 175.222 174.700 0.178 0.000 0.983 703 T CA 0.704 62.949 62.100 0.241 0.000 0.941 703 T CB 1.304 70.303 68.868 0.218 0.000 1.141 703 T HN 0.663 nan 8.240 nan 0.000 0.500 704 G N 0.700 109.603 108.800 0.173 0.000 2.323 704 G HA2 0.368 4.331 3.960 0.006 0.000 0.291 704 G HA3 0.368 4.331 3.960 0.006 0.000 0.291 704 G C -1.917 173.042 174.900 0.099 0.000 1.278 704 G CA -1.166 44.009 45.100 0.125 0.000 0.860 704 G HN 0.301 nan 8.290 nan 0.000 0.504 705 K N 0.839 121.304 120.400 0.109 0.000 2.489 705 K HA 0.278 4.602 4.320 0.006 0.000 0.278 705 K C 0.332 177.026 176.600 0.157 0.000 1.000 705 K CA 0.734 57.131 56.287 0.182 0.000 1.012 705 K CB 0.301 32.912 32.500 0.185 0.000 0.903 705 K HN 0.615 nan 8.250 nan 0.000 0.485 706 K N 1.238 121.799 120.400 0.268 0.000 3.274 706 K HA -0.257 4.066 4.320 0.006 0.000 0.300 706 K C -0.662 175.928 176.600 -0.016 0.000 1.230 706 K CA 1.064 57.467 56.287 0.194 0.000 0.884 706 K CB -0.836 31.746 32.500 0.136 0.000 1.242 706 K HN 0.573 nan 8.250 nan 0.000 0.467 707 R N 0.491 120.943 120.500 -0.080 0.000 2.576 707 R HA 0.254 4.597 4.340 0.006 0.000 0.283 707 R C -1.016 175.009 176.300 -0.458 0.000 1.493 707 R CA -0.668 55.280 56.100 -0.254 0.000 1.170 707 R CB 0.664 30.903 30.300 -0.101 0.000 1.189 707 R HN 0.206 nan 8.270 nan 0.000 0.542 708 Y N -0.997 118.786 120.300 -0.862 0.000 2.677 708 Y HA 0.897 5.450 4.550 0.005 0.000 0.334 708 Y C -1.405 173.813 175.900 -1.136 0.000 1.154 708 Y CA -1.647 55.641 58.100 -1.353 0.000 1.070 708 Y CB 1.553 38.458 38.460 -2.592 0.000 1.294 708 Y HN 0.304 nan 8.280 nan 0.000 0.475 709 A N 1.757 123.906 122.820 -1.119 0.000 2.465 709 A HA 0.745 5.069 4.320 0.006 0.000 0.292 709 A C -2.113 175.168 177.584 -0.503 0.000 1.041 709 A CA -0.645 50.887 52.037 -0.842 0.000 0.718 709 A CB 0.845 19.235 19.000 -1.016 0.000 1.266 709 A HN 0.769 nan 8.150 nan 0.000 0.403 710 L N 1.283 122.367 121.223 -0.232 0.000 2.370 710 L HA 0.515 4.858 4.340 0.006 0.000 0.266 710 L C -0.140 176.708 176.870 -0.037 0.000 1.002 710 L CA -1.015 53.800 54.840 -0.042 0.000 0.818 710 L CB 2.384 44.506 42.059 0.106 0.000 1.325 710 L HN 0.775 nan 8.230 nan 0.000 0.418 711 N N 1.171 119.879 118.700 0.014 0.000 2.521 711 N HA 0.337 5.080 4.740 0.006 0.000 0.236 711 N C -1.030 174.418 175.510 -0.103 0.000 1.067 711 N CA -0.256 52.743 53.050 -0.084 0.000 0.939 711 N CB 0.769 39.249 38.487 -0.011 0.000 1.201 711 N HN 0.291 nan 8.380 nan 0.000 0.511 712 V N 3.513 123.336 119.914 -0.151 0.000 2.567 712 V HA 0.225 4.349 4.120 0.006 0.000 0.289 712 V C 0.255 176.240 176.094 -0.182 0.000 1.049 712 V CA -0.275 62.013 62.300 -0.019 0.000 0.969 712 V CB 1.217 33.111 31.823 0.118 0.000 0.995 712 V HN 0.778 nan 8.190 nan 0.000 0.471 713 W N 0.189 121.559 121.300 0.116 0.000 2.901 713 W HA 0.343 5.006 4.660 0.005 0.000 0.281 713 W C 0.538 176.976 176.519 -0.135 0.000 1.167 713 W CA -0.133 57.237 57.345 0.041 0.000 1.506 713 W CB 0.692 30.090 29.460 -0.103 0.000 0.985 713 W HN 0.499 nan 8.180 nan 0.000 0.590 714 D N 0.507 120.907 120.400 -0.000 0.000 2.990 714 D HA 0.266 4.909 4.640 0.006 0.000 0.227 714 D C -1.448 174.721 176.300 -0.218 0.000 1.249 714 D CA -0.403 53.455 54.000 -0.237 0.000 0.891 714 D CB 1.781 42.510 40.800 -0.119 0.000 1.647 714 D HN -0.205 nan 8.370 nan 0.000 0.530 715 M N 3.457 122.846 119.600 -0.352 0.000 2.022 715 M HA 0.256 4.739 4.480 0.006 0.000 0.298 715 M C -0.459 175.758 176.300 -0.138 0.000 0.909 715 M CA 0.050 55.258 55.300 -0.154 0.000 0.914 715 M CB 0.454 33.052 32.600 -0.003 0.000 1.486 715 M HN 0.455 nan 8.290 nan 0.000 0.415 716 E N 3.046 123.177 120.200 -0.115 0.000 2.476 716 E HA -0.229 4.124 4.350 0.006 0.000 0.251 716 E C 0.751 177.291 176.600 -0.101 0.000 1.130 716 E CA 0.826 57.167 56.400 -0.097 0.000 0.736 716 E CB -1.820 27.841 29.700 -0.066 0.000 1.298 716 E HN 1.317 nan 8.360 nan 0.000 0.400 717 G N -0.838 107.889 108.800 -0.121 0.000 2.175 717 G HA2 -0.297 3.666 3.960 0.006 0.000 0.244 717 G HA3 -0.297 3.666 3.960 0.006 0.000 0.244 717 G C 0.290 175.110 174.900 -0.133 0.000 0.982 717 G CA 0.328 45.364 45.100 -0.107 0.000 0.641 717 G HN 0.258 nan 8.290 nan 0.000 0.527 718 T N 0.985 115.419 114.554 -0.200 0.000 2.738 718 T HA 0.528 4.881 4.350 0.006 0.000 0.298 718 T C 0.263 174.709 174.700 -0.423 0.000 0.962 718 T CA -0.267 61.681 62.100 -0.253 0.000 0.972 718 T CB 1.267 69.992 68.868 -0.238 0.000 0.928 718 T HN 0.379 nan 8.240 nan 0.000 0.474 719 R N 3.784 124.134 120.500 -0.249 0.000 2.296 719 R HA 0.285 4.628 4.340 0.006 0.000 0.327 719 R C -0.873 175.369 176.300 -0.095 0.000 1.137 719 R CA -0.638 55.342 56.100 -0.200 0.000 1.020 719 R CB -0.627 29.630 30.300 -0.073 0.000 1.110 719 R HN 0.459 nan 8.270 nan 0.000 0.499 720 Y N 1.777 122.100 120.300 0.038 0.000 2.683 720 Y HA -0.016 4.537 4.550 0.005 0.000 0.340 720 Y C 1.669 177.608 175.900 0.065 0.000 1.245 720 Y CA 0.477 58.591 58.100 0.024 0.000 1.485 720 Y CB 0.202 38.649 38.460 -0.022 0.000 1.328 720 Y HN 0.692 nan 8.280 nan 0.000 0.603 721 A N 1.069 124.030 122.820 0.235 0.000 1.929 721 A HA -0.043 4.281 4.320 0.006 0.000 0.216 721 A C 0.726 178.433 177.584 0.205 0.000 1.176 721 A CA 1.191 53.348 52.037 0.201 0.000 0.628 721 A CB -0.067 19.040 19.000 0.178 0.000 0.816 721 A HN 0.657 nan 8.150 nan 0.000 0.444 722 E N -0.351 119.940 120.200 0.152 0.000 2.266 722 E HA 0.359 4.712 4.350 0.006 0.000 0.268 722 E C -2.884 173.682 176.600 -0.056 0.000 0.879 722 E CA -2.477 53.967 56.400 0.074 0.000 0.762 722 E CB 1.824 31.543 29.700 0.032 0.000 1.199 722 E HN 0.104 nan 8.360 nan 0.000 0.422 723 P HA -0.029 nan 4.420 nan 0.000 0.264 723 P C -0.583 176.466 177.300 -0.418 0.000 1.183 723 P CA 0.335 63.055 63.100 -0.632 0.000 0.763 723 P CB 0.624 31.613 31.700 -1.186 0.000 0.807 724 K N 4.247 124.398 120.400 -0.415 0.000 2.358 724 K HA 0.356 4.679 4.320 0.006 0.000 0.260 724 K C -0.157 176.264 176.600 -0.299 0.000 0.956 724 K CA -0.815 55.208 56.287 -0.440 0.000 0.834 724 K CB 0.763 32.742 32.500 -0.867 0.000 1.102 724 K HN 0.392 nan 8.250 nan 0.000 0.431 725 L N 3.227 124.303 121.223 -0.245 0.000 2.461 725 L HA 0.131 4.475 4.340 0.006 0.000 0.272 725 L C 0.085 176.856 176.870 -0.165 0.000 1.197 725 L CA -0.035 54.691 54.840 -0.190 0.000 0.836 725 L CB 0.302 42.258 42.059 -0.172 0.000 1.105 725 L HN 0.552 nan 8.230 nan 0.000 0.477 726 K N 4.229 124.542 120.400 -0.145 0.000 2.527 726 K HA 0.518 4.841 4.320 0.006 0.000 0.240 726 K C -1.166 175.286 176.600 -0.247 0.000 0.989 726 K CA -0.074 56.138 56.287 -0.125 0.000 0.985 726 K CB 0.404 32.900 32.500 -0.008 0.000 1.221 726 K HN 0.420 nan 8.250 nan 0.000 0.458 727 I N 4.570 124.963 120.570 -0.295 0.000 2.460 727 I HA 0.496 4.670 4.170 0.006 0.000 0.298 727 I C -0.441 175.389 176.117 -0.479 0.000 0.989 727 I CA -0.968 60.069 61.300 -0.438 0.000 1.173 727 I CB 1.623 39.420 38.000 -0.339 0.000 1.338 727 I HN 0.376 nan 8.210 nan 0.000 0.456 728 M N 3.310 122.479 119.600 -0.718 0.000 2.433 728 M HA 0.362 4.846 4.480 0.006 0.000 0.290 728 M C 0.717 176.707 176.300 -0.517 0.000 1.173 728 M CA -0.541 54.387 55.300 -0.621 0.000 0.905 728 M CB 1.191 33.268 32.600 -0.872 0.000 1.692 728 M HN 0.880 nan 8.290 nan 0.000 0.462 729 G N 1.850 110.480 108.800 -0.283 0.000 2.480 729 G HA2 -0.254 3.709 3.960 0.006 0.000 0.246 729 G HA3 -0.254 3.709 3.960 0.006 0.000 0.246 729 G C 0.227 175.043 174.900 -0.141 0.000 1.073 729 G CA 0.436 45.428 45.100 -0.181 0.000 0.643 729 G HN 0.591 nan 8.290 nan 0.000 0.525 730 L N 0.425 121.519 121.223 -0.214 0.000 2.473 730 L HA 0.295 4.639 4.340 0.006 0.000 0.268 730 L C 1.911 178.782 176.870 0.003 0.000 1.215 730 L CA -0.112 54.659 54.840 -0.116 0.000 0.823 730 L CB 0.257 42.098 42.059 -0.363 0.000 1.099 730 L HN 0.109 nan 8.230 nan 0.000 0.483 731 E N 0.146 120.437 120.200 0.152 0.000 2.219 731 E HA -0.197 4.156 4.350 0.006 0.000 0.198 731 E C 1.903 178.550 176.600 0.079 0.000 0.998 731 E CA 1.722 58.190 56.400 0.113 0.000 0.818 731 E CB -0.292 29.487 29.700 0.131 0.000 0.741 731 E HN 0.867 nan 8.360 nan 0.000 0.477 732 T N -1.308 113.292 114.554 0.077 0.000 2.929 732 T HA -0.148 4.205 4.350 0.006 0.000 0.271 732 T C 1.375 176.080 174.700 0.007 0.000 1.085 732 T CA 0.822 62.948 62.100 0.043 0.000 1.125 732 T CB -0.024 68.850 68.868 0.010 0.000 0.874 732 T HN 0.026 nan 8.240 nan 0.000 0.494 733 Q N 0.505 120.293 119.800 -0.020 0.000 2.356 733 Q HA 0.296 4.639 4.340 0.006 0.000 0.205 733 Q C 0.265 176.260 176.000 -0.009 0.000 0.901 733 Q CA 0.318 56.104 55.803 -0.028 0.000 0.938 733 Q CB 0.415 29.107 28.738 -0.075 0.000 1.081 733 Q HN 0.590 nan 8.270 nan 0.000 0.517 734 K N 1.193 121.594 120.400 0.001 0.000 2.156 734 K HA 0.206 4.530 4.320 0.006 0.000 0.271 734 K C 0.944 177.544 176.600 0.001 0.000 0.995 734 K CA -0.012 56.274 56.287 -0.002 0.000 0.890 734 K CB 1.343 33.842 32.500 -0.002 0.000 1.073 734 K HN -0.018 nan 8.250 nan 0.000 0.454 735 S N 0.020 115.711 115.700 -0.015 0.000 2.515 735 S HA -0.120 4.353 4.470 0.006 0.000 0.231 735 S C 1.537 176.112 174.600 -0.043 0.000 0.987 735 S CA 1.037 59.219 58.200 -0.030 0.000 0.936 735 S CB -0.218 62.946 63.200 -0.061 0.000 0.766 735 S HN 0.610 nan 8.310 nan 0.000 0.528 736 S N 0.243 115.920 115.700 -0.038 0.000 2.562 736 S HA 0.102 4.575 4.470 0.006 0.000 0.221 736 S C 0.604 175.200 174.600 -0.006 0.000 0.975 736 S CA -0.176 57.997 58.200 -0.046 0.000 0.918 736 S CB -0.573 62.593 63.200 -0.057 0.000 0.772 736 S HN 0.387 nan 8.310 nan 0.000 0.531 737 T N 4.803 119.367 114.554 0.017 0.000 2.780 737 T HA 0.395 4.748 4.350 0.006 0.000 0.294 737 T C -2.699 172.040 174.700 0.066 0.000 0.949 737 T CA -1.239 60.890 62.100 0.047 0.000 1.074 737 T CB 1.067 69.970 68.868 0.058 0.000 0.910 737 T HN 0.087 nan 8.240 nan 0.000 0.501 738 P HA 0.018 nan 4.420 nan 0.000 0.263 738 P C 1.022 178.380 177.300 0.097 0.000 1.175 738 P CA -0.144 63.009 63.100 0.089 0.000 0.761 738 P CB 0.588 32.356 31.700 0.114 0.000 0.794 739 K N 3.056 123.508 120.400 0.087 0.000 2.020 739 K HA -0.224 4.099 4.320 0.006 0.000 0.212 739 K C 1.874 178.536 176.600 0.104 0.000 1.050 739 K CA 2.233 58.576 56.287 0.094 0.000 0.929 739 K CB -1.060 31.492 32.500 0.087 0.000 0.714 739 K HN 0.504 nan 8.250 nan 0.000 0.443 740 A N 1.167 124.056 122.820 0.115 0.000 1.940 740 A HA -0.130 4.193 4.320 0.006 0.000 0.219 740 A C 2.515 180.214 177.584 0.193 0.000 1.176 740 A CA 1.714 53.852 52.037 0.169 0.000 0.631 740 A CB -0.637 18.481 19.000 0.196 0.000 0.814 740 A HN 0.101 nan 8.150 nan 0.000 0.446 741 V N -0.027 119.995 119.914 0.180 0.000 2.427 741 V HA -0.281 3.842 4.120 0.006 0.000 0.248 741 V C 2.599 178.767 176.094 0.124 0.000 1.051 741 V CA 2.066 64.451 62.300 0.143 0.000 1.048 741 V CB -0.854 31.084 31.823 0.190 0.000 0.666 741 V HN 0.644 nan 8.190 nan 0.000 0.456 742 Q N 0.074 119.942 119.800 0.113 0.000 2.050 742 Q HA -0.264 4.079 4.340 0.006 0.000 0.202 742 Q C 2.358 178.407 176.000 0.082 0.000 0.980 742 Q CA 1.788 57.648 55.803 0.096 0.000 0.840 742 Q CB -0.279 28.508 28.738 0.080 0.000 0.898 742 Q HN 0.574 nan 8.270 nan 0.000 0.424 743 K N 0.653 121.103 120.400 0.084 0.000 2.032 743 K HA -0.181 4.142 4.320 0.006 0.000 0.209 743 K C 2.068 178.712 176.600 0.073 0.000 1.048 743 K CA 1.301 57.633 56.287 0.075 0.000 0.927 743 K CB -0.145 32.414 32.500 0.098 0.000 0.712 743 K HN 0.177 nan 8.250 nan 0.000 0.441 744 A N 1.085 123.948 122.820 0.071 0.000 1.898 744 A HA -0.083 4.240 4.320 0.006 0.000 0.216 744 A C 2.128 179.793 177.584 0.136 0.000 1.181 744 A CA 1.129 53.182 52.037 0.028 0.000 0.620 744 A CB -0.553 18.075 19.000 -0.621 0.000 0.819 744 A HN 0.316 nan 8.150 nan 0.000 0.442 745 L N -0.703 120.635 121.223 0.192 0.000 2.046 745 L HA -0.190 4.154 4.340 0.006 0.000 0.208 745 L C 2.631 179.589 176.870 0.147 0.000 1.077 745 L CA 1.920 56.885 54.840 0.209 0.000 0.747 745 L CB -0.351 41.833 42.059 0.208 0.000 0.896 745 L HN 0.482 nan 8.230 nan 0.000 0.432 746 K N 0.269 120.715 120.400 0.078 0.000 2.097 746 K HA -0.259 4.064 4.320 0.006 0.000 0.206 746 K C 2.047 178.628 176.600 -0.033 0.000 1.049 746 K CA 1.587 57.882 56.287 0.014 0.000 0.933 746 K CB 0.072 32.566 32.500 -0.011 0.000 0.717 746 K HN 0.063 nan 8.250 nan 0.000 0.442 747 E N 0.322 120.470 120.200 -0.086 0.000 2.106 747 E HA -0.129 4.224 4.350 0.006 0.000 0.192 747 E C 1.694 178.156 176.600 -0.231 0.000 0.984 747 E CA 1.478 57.734 56.400 -0.241 0.000 0.806 747 E CB -0.457 28.933 29.700 -0.517 0.000 0.750 747 E HN 0.397 nan 8.360 nan 0.000 0.458 748 C N 0.117 119.357 119.300 -0.100 0.000 2.429 748 C HA -0.047 4.416 4.460 0.006 0.000 0.277 748 C C 2.585 177.612 174.990 0.060 0.000 1.262 748 C CA 0.666 59.704 59.018 0.032 0.000 1.733 748 C CB -0.980 26.842 27.740 0.137 0.000 2.010 748 C HN 0.479 nan 8.230 nan 0.000 0.483 749 I N 0.185 120.807 120.570 0.088 0.000 2.252 749 I HA -0.182 3.991 4.170 0.006 0.000 0.245 749 I C 2.868 179.021 176.117 0.061 0.000 1.102 749 I CA 1.304 62.679 61.300 0.126 0.000 1.385 749 I CB -0.628 37.424 38.000 0.087 0.000 1.064 749 I HN 0.323 nan 8.210 nan 0.000 0.414 750 R N 1.272 121.766 120.500 -0.010 0.000 2.080 750 R HA -0.198 4.146 4.340 0.006 0.000 0.236 750 R C 2.507 178.805 176.300 -0.004 0.000 1.137 750 R CA 1.720 57.800 56.100 -0.034 0.000 0.943 750 R CB -0.132 30.123 30.300 -0.075 0.000 0.846 750 R HN 0.265 nan 8.270 nan 0.000 0.431 751 R N -0.156 120.337 120.500 -0.012 0.000 2.083 751 R HA -0.131 4.212 4.340 0.006 0.000 0.237 751 R C 2.503 178.837 176.300 0.056 0.000 1.137 751 R CA 2.124 58.237 56.100 0.022 0.000 0.951 751 R CB -0.335 29.980 30.300 0.025 0.000 0.851 751 R HN 0.288 nan 8.270 nan 0.000 0.434 752 M N 0.449 120.089 119.600 0.066 0.000 2.073 752 M HA -0.243 4.241 4.480 0.006 0.000 0.258 752 M C 2.201 178.563 176.300 0.104 0.000 1.070 752 M CA 1.877 57.223 55.300 0.077 0.000 1.103 752 M CB -0.294 32.353 32.600 0.077 0.000 1.321 752 M HN 0.175 nan 8.290 nan 0.000 0.405 753 L N -1.243 120.056 121.223 0.126 0.000 2.156 753 L HA -0.173 4.171 4.340 0.006 0.000 0.208 753 L C 2.282 179.218 176.870 0.110 0.000 1.095 753 L CA 1.038 55.957 54.840 0.131 0.000 0.770 753 L CB -0.656 41.466 42.059 0.106 0.000 0.914 753 L HN 0.445 nan 8.230 nan 0.000 0.439 754 Q N -0.354 119.498 119.800 0.086 0.000 2.274 754 Q HA -0.031 4.313 4.340 0.006 0.000 0.198 754 Q C 1.813 177.878 176.000 0.109 0.000 0.955 754 Q CA 0.705 56.569 55.803 0.103 0.000 0.859 754 Q CB 0.267 29.043 28.738 0.064 0.000 0.956 754 Q HN 0.475 nan 8.270 nan 0.000 0.516 755 E N -0.099 120.153 120.200 0.086 0.000 2.079 755 E HA 0.198 4.551 4.350 0.006 0.000 0.191 755 E C 0.555 177.203 176.600 0.079 0.000 0.961 755 E CA 0.574 57.025 56.400 0.084 0.000 0.823 755 E CB 0.728 30.474 29.700 0.076 0.000 0.789 755 E HN 0.261 nan 8.360 nan 0.000 0.459 756 G N 0.193 109.036 108.800 0.073 0.000 2.359 756 G HA2 -0.122 3.842 3.960 0.006 0.000 0.293 756 G HA3 -0.122 3.842 3.960 0.006 0.000 0.293 756 G C -0.222 174.712 174.900 0.056 0.000 1.300 756 G CA -0.156 44.981 45.100 0.062 0.000 0.888 756 G HN 0.087 nan 8.290 nan 0.000 0.541 757 E N -0.218 120.006 120.200 0.040 0.000 2.047 757 E HA -0.139 4.214 4.350 0.006 0.000 0.191 757 E C 2.225 178.854 176.600 0.049 0.000 0.987 757 E CA 1.986 58.404 56.400 0.029 0.000 0.799 757 E CB -0.075 29.627 29.700 0.004 0.000 0.752 757 E HN 0.637 nan 8.360 nan 0.000 0.449 758 E N 0.059 120.292 120.200 0.056 0.000 2.152 758 E HA -0.141 4.212 4.350 0.006 0.000 0.192 758 E C 2.151 178.814 176.600 0.106 0.000 0.983 758 E CA 1.162 57.606 56.400 0.074 0.000 0.818 758 E CB -0.266 29.472 29.700 0.063 0.000 0.758 758 E HN 0.071 nan 8.360 nan 0.000 0.467 759 S N 0.904 116.666 115.700 0.103 0.000 2.359 759 S HA -0.187 4.287 4.470 0.006 0.000 0.224 759 S C 2.036 176.738 174.600 0.170 0.000 1.035 759 S CA 1.249 59.525 58.200 0.126 0.000 1.018 759 S CB -0.367 62.894 63.200 0.102 0.000 0.876 759 S HN 0.388 nan 8.310 nan 0.000 0.448 760 L N 1.640 122.952 121.223 0.149 0.000 2.012 760 L HA -0.108 4.236 4.340 0.006 0.000 0.210 760 L C 2.465 179.499 176.870 0.274 0.000 1.073 760 L CA 2.114 57.068 54.840 0.189 0.000 0.748 760 L CB -1.036 41.097 42.059 0.122 0.000 0.891 760 L HN 0.403 nan 8.230 nan 0.000 0.431 761 Q N -0.499 119.427 119.800 0.211 0.000 2.061 761 Q HA -0.240 4.104 4.340 0.006 0.000 0.204 761 Q C 2.179 178.361 176.000 0.304 0.000 0.984 761 Q CA 2.114 58.065 55.803 0.247 0.000 0.846 761 Q CB -0.268 28.556 28.738 0.142 0.000 0.902 761 Q HN 0.647 nan 8.270 nan 0.000 0.421 762 E N -0.052 120.289 120.200 0.235 0.000 2.033 762 E HA -0.250 4.103 4.350 0.006 0.000 0.199 762 E C 1.829 178.572 176.600 0.239 0.000 1.011 762 E CA 1.404 57.928 56.400 0.207 0.000 0.815 762 E CB -0.290 29.514 29.700 0.173 0.000 0.755 762 E HN 0.365 nan 8.360 nan 0.000 0.451 763 Y N 0.271 120.685 120.300 0.190 0.000 2.207 763 Y HA -0.286 4.268 4.550 0.006 0.000 0.287 763 Y C 2.087 178.149 175.900 0.270 0.000 1.156 763 Y CA 1.655 59.876 58.100 0.202 0.000 1.182 763 Y CB -0.247 38.327 38.460 0.190 0.000 0.979 763 Y HN 0.073 nan 8.280 nan 0.000 0.521 764 F N 1.037 121.178 119.950 0.319 0.000 2.102 764 F HA -0.180 4.351 4.527 0.005 0.000 0.298 764 F C 2.460 178.388 175.800 0.213 0.000 1.105 764 F CA 2.259 60.451 58.000 0.320 0.000 1.239 764 F CB -0.618 38.578 39.000 0.327 0.000 0.991 764 F HN -0.063 nan 8.300 nan 0.000 0.474 765 K N -0.090 120.392 120.400 0.137 0.000 2.103 765 K HA -0.264 4.059 4.320 0.006 0.000 0.207 765 K C 2.107 178.631 176.600 -0.126 0.000 1.048 765 K CA 1.849 58.129 56.287 -0.012 0.000 0.930 765 K CB -0.222 32.342 32.500 0.106 0.000 0.716 765 K HN 0.273 nan 8.250 nan 0.000 0.444 766 E N -0.047 120.079 120.200 -0.124 0.000 2.046 766 E HA -0.144 4.210 4.350 0.006 0.000 0.190 766 E C 1.633 178.072 176.600 -0.268 0.000 0.982 766 E CA 1.167 57.454 56.400 -0.188 0.000 0.800 766 E CB -0.322 29.253 29.700 -0.208 0.000 0.756 766 E HN 0.351 nan 8.360 nan 0.000 0.449 767 F N 1.582 121.241 119.950 -0.486 0.000 2.095 767 F HA -0.212 4.318 4.527 0.005 0.000 0.298 767 F C 2.228 177.823 175.800 -0.342 0.000 1.104 767 F CA 2.252 59.980 58.000 -0.453 0.000 1.232 767 F CB -0.284 38.402 39.000 -0.523 0.000 0.987 767 F HN 0.140 nan 8.300 nan 0.000 0.475 768 E N 0.477 120.472 120.200 -0.342 0.000 2.058 768 E HA -0.340 4.013 4.350 0.006 0.000 0.194 768 E C 2.256 178.708 176.600 -0.246 0.000 0.997 768 E CA 1.701 57.892 56.400 -0.348 0.000 0.801 768 E CB -0.290 29.149 29.700 -0.436 0.000 0.746 768 E HN 0.284 nan 8.360 nan 0.000 0.450 769 K N 0.738 121.005 120.400 -0.222 0.000 2.020 769 K HA -0.191 4.132 4.320 0.006 0.000 0.212 769 K C 1.763 178.256 176.600 -0.178 0.000 1.050 769 K CA 2.095 58.285 56.287 -0.160 0.000 0.929 769 K CB -0.065 32.356 32.500 -0.132 0.000 0.714 769 K HN 0.163 nan 8.250 nan 0.000 0.443 770 E N -0.516 119.539 120.200 -0.241 0.000 2.474 770 E HA -0.039 4.314 4.350 0.006 0.000 0.194 770 E C 1.588 178.002 176.600 -0.311 0.000 1.041 770 E CA 0.041 56.294 56.400 -0.246 0.000 0.874 770 E CB -0.331 29.233 29.700 -0.227 0.000 0.914 770 E HN 0.312 nan 8.360 nan 0.000 0.498 771 F N 3.254 122.851 119.950 -0.588 0.000 2.082 771 F HA -0.310 4.220 4.527 0.005 0.000 0.298 771 F C 1.896 177.531 175.800 -0.275 0.000 1.091 771 F CA 1.871 59.484 58.000 -0.645 0.000 1.230 771 F CB 0.003 38.610 39.000 -0.654 0.000 0.983 771 F HN -0.085 nan 8.300 nan 0.000 0.485 772 R N -0.250 119.984 120.500 -0.443 0.000 2.285 772 R HA -0.116 4.228 4.340 0.006 0.000 0.213 772 R C 1.733 177.762 176.300 -0.452 0.000 1.068 772 R CA 0.870 56.606 56.100 -0.606 0.000 1.004 772 R CB -0.415 29.519 30.300 -0.610 0.000 0.873 772 R HN 0.448 nan 8.270 nan 0.000 0.467 773 Q N 0.526 120.127 119.800 -0.331 0.000 2.331 773 Q HA 0.123 4.466 4.340 0.006 0.000 0.203 773 Q C 1.022 176.921 176.000 -0.168 0.000 0.944 773 Q CA 0.286 55.956 55.803 -0.222 0.000 0.892 773 Q CB -0.038 28.590 28.738 -0.183 0.000 0.983 773 Q HN 0.315 nan 8.270 nan 0.000 0.482 774 L N 2.115 123.207 121.223 -0.219 0.000 2.503 774 L HA -0.062 4.281 4.340 0.006 0.000 0.287 774 L C 1.072 177.904 176.870 -0.064 0.000 1.252 774 L CA 0.085 54.835 54.840 -0.151 0.000 0.835 774 L CB 0.007 41.937 42.059 -0.215 0.000 1.099 774 L HN 0.183 nan 8.230 nan 0.000 0.516 775 N N 1.008 119.689 118.700 -0.031 0.000 2.470 775 N HA -0.060 4.684 4.740 0.006 0.000 0.268 775 N C 0.952 176.475 175.510 0.022 0.000 1.136 775 N CA -0.209 52.856 53.050 0.025 0.000 0.961 775 N CB 0.781 39.266 38.487 -0.003 0.000 1.067 775 N HN 0.616 nan 8.380 nan 0.000 0.468 776 Y N 4.006 124.267 120.300 -0.065 0.000 2.181 776 Y HA -0.219 4.334 4.550 0.006 0.000 0.284 776 Y C 1.711 177.570 175.900 -0.068 0.000 1.179 776 Y CA 1.204 59.258 58.100 -0.078 0.000 1.179 776 Y CB -0.221 38.201 38.460 -0.064 0.000 0.973 776 Y HN 0.526 nan 8.280 nan 0.000 0.519 777 I N 1.043 121.073 120.570 -0.901 0.000 2.439 777 I HA -0.222 3.951 4.170 0.006 0.000 0.251 777 I C 2.619 178.454 176.117 -0.472 0.000 1.139 777 I CA 1.397 62.172 61.300 -0.876 0.000 1.438 777 I CB -0.426 37.045 38.000 -0.882 0.000 1.085 777 I HN 0.538 nan 8.210 nan 0.000 0.427 778 S N 1.309 116.857 115.700 -0.254 0.000 2.481 778 S HA -0.067 4.406 4.470 0.006 0.000 0.231 778 S C 1.646 176.223 174.600 -0.038 0.000 0.996 778 S CA 0.555 58.693 58.200 -0.104 0.000 0.942 778 S CB -0.489 62.686 63.200 -0.041 0.000 0.768 778 S HN 0.644 nan 8.310 nan 0.000 0.520 779 I N -1.620 118.916 120.570 -0.056 0.000 4.025 779 I HA 0.613 4.787 4.170 0.006 0.000 0.336 779 I C 0.614 176.748 176.117 0.029 0.000 1.390 779 I CA -0.826 60.498 61.300 0.040 0.000 1.099 779 I CB 0.015 38.044 38.000 0.048 0.000 1.049 779 I HN 0.225 nan 8.210 nan 0.000 0.394 780 A N 1.163 123.947 122.820 -0.060 0.000 2.304 780 A HA 0.689 5.012 4.320 0.006 0.000 0.271 780 A C 0.355 177.959 177.584 0.032 0.000 1.091 780 A CA -0.148 51.870 52.037 -0.032 0.000 0.812 780 A CB 0.495 19.381 19.000 -0.191 0.000 1.056 780 A HN 0.396 nan 8.150 nan 0.000 0.489 781 S N -0.944 114.788 115.700 0.052 0.000 2.687 781 S HA 0.620 5.094 4.470 0.006 0.000 0.283 781 S C -0.370 174.234 174.600 0.006 0.000 1.170 781 S CA -0.539 57.690 58.200 0.048 0.000 1.008 781 S CB 1.429 64.669 63.200 0.067 0.000 1.026 781 S HN 0.628 nan 8.310 nan 0.000 0.541 782 V N 1.123 121.007 119.914 -0.050 0.000 2.735 782 V HA 0.857 4.981 4.120 0.006 0.000 0.310 782 V C -0.222 175.759 176.094 -0.189 0.000 1.061 782 V CA -0.493 61.705 62.300 -0.171 0.000 0.913 782 V CB 1.874 33.574 31.823 -0.204 0.000 1.005 782 V HN 0.863 nan 8.190 nan 0.000 0.428 783 S N 2.128 117.677 115.700 -0.252 0.000 2.565 783 S HA 0.637 5.111 4.470 0.006 0.000 0.269 783 S C -0.729 173.721 174.600 -0.251 0.000 1.153 783 S CA -0.433 57.590 58.200 -0.294 0.000 0.835 783 S CB 2.195 65.104 63.200 -0.485 0.000 1.122 783 S HN 0.705 nan 8.310 nan 0.000 0.462 784 S N 1.452 117.021 115.700 -0.217 0.000 2.617 784 S HA 0.690 5.164 4.470 0.006 0.000 0.269 784 S C -0.072 174.523 174.600 -0.009 0.000 1.292 784 S CA -0.196 57.936 58.200 -0.113 0.000 1.010 784 S CB 1.274 64.426 63.200 -0.081 0.000 0.944 784 S HN 1.057 nan 8.310 nan 0.000 0.536 785 A N 3.237 126.070 122.820 0.021 0.000 2.923 785 A HA 0.431 4.754 4.320 0.006 0.000 0.343 785 A C -0.191 177.430 177.584 0.061 0.000 1.199 785 A CA -0.838 51.252 52.037 0.088 0.000 0.878 785 A CB -0.241 18.780 19.000 0.035 0.000 1.104 785 A HN 0.678 nan 8.150 nan 0.000 0.483 786 N N 0.877 119.632 118.700 0.093 0.000 2.492 786 N HA 0.228 4.971 4.740 0.006 0.000 0.289 786 N C -0.305 175.263 175.510 0.097 0.000 1.133 786 N CA -0.290 52.801 53.050 0.069 0.000 0.961 786 N CB 0.764 39.290 38.487 0.064 0.000 1.186 786 N HN 0.506 nan 8.380 nan 0.000 0.493 787 N N 0.080 118.826 118.700 0.077 0.000 2.727 787 N HA -0.180 4.563 4.740 0.006 0.000 0.249 787 N C 0.850 176.448 175.510 0.148 0.000 1.048 787 N CA 0.233 53.342 53.050 0.098 0.000 0.714 787 N CB -1.390 37.182 38.487 0.143 0.000 0.959 787 N HN 0.570 nan 8.380 nan 0.000 0.544 788 I N -0.605 120.023 120.570 0.096 0.000 2.091 788 I HA -0.349 3.824 4.170 0.006 0.000 0.239 788 I C 2.488 178.680 176.117 0.126 0.000 1.061 788 I CA 1.900 63.258 61.300 0.098 0.000 1.317 788 I CB -0.422 37.615 38.000 0.062 0.000 1.031 788 I HN 0.515 nan 8.210 nan 0.000 0.401 789 A N 0.487 123.355 122.820 0.081 0.000 1.972 789 A HA -0.262 4.061 4.320 0.006 0.000 0.219 789 A C 2.368 179.966 177.584 0.024 0.000 1.169 789 A CA 1.831 53.907 52.037 0.064 0.000 0.635 789 A CB -0.636 18.391 19.000 0.046 0.000 0.810 789 A HN 0.399 nan 8.150 nan 0.000 0.446 790 K N -1.539 118.836 120.400 -0.042 0.000 2.173 790 K HA -0.205 4.118 4.320 0.006 0.000 0.207 790 K C 0.650 177.051 176.600 -0.331 0.000 1.046 790 K CA 1.902 58.042 56.287 -0.246 0.000 0.929 790 K CB -0.240 31.992 32.500 -0.447 0.000 0.720 790 K HN 0.671 nan 8.250 nan 0.000 0.453 791 Y N -0.739 119.566 120.300 0.008 0.000 2.531 791 Y HA 0.088 4.642 4.550 0.006 0.000 0.249 791 Y C 1.344 177.259 175.900 0.026 0.000 1.168 791 Y CA -0.406 57.703 58.100 0.014 0.000 1.226 791 Y CB 0.196 38.655 38.460 -0.001 0.000 1.177 791 Y HN 0.079 nan 8.280 nan 0.000 0.527 792 D N 0.949 121.437 120.400 0.147 0.000 2.158 792 D HA -0.168 4.475 4.640 0.006 0.000 0.197 792 D C 1.206 177.568 176.300 0.104 0.000 0.995 792 D CA 1.147 55.211 54.000 0.107 0.000 0.846 792 D CB 0.030 40.881 40.800 0.086 0.000 0.941 792 D HN 0.056 nan 8.370 nan 0.000 0.456 793 V N 0.224 120.198 119.914 0.100 0.000 5.295 793 V HA -0.223 3.900 4.120 0.006 0.000 0.223 793 V C 1.106 177.278 176.094 0.130 0.000 0.707 793 V CA 1.109 63.472 62.300 0.105 0.000 0.611 793 V CB -2.355 29.537 31.823 0.116 0.000 0.319 793 V HN 0.558 nan 8.190 nan 0.000 0.586 794 G N -0.174 108.685 108.800 0.099 0.000 2.341 794 G HA2 0.220 4.183 3.960 0.006 0.000 0.278 794 G HA3 0.220 4.183 3.960 0.006 0.000 0.278 794 G C 1.280 176.207 174.900 0.046 0.000 1.111 794 G CA 0.502 45.660 45.100 0.098 0.000 0.982 794 G HN 2.381 nan 8.290 nan 0.000 0.502 795 G N -1.830 106.940 108.800 -0.050 0.000 2.270 795 G HA2 -0.231 3.732 3.960 0.006 0.000 0.268 795 G HA3 -0.231 3.732 3.960 0.006 0.000 0.268 795 G C 0.374 175.042 174.900 -0.386 0.000 0.982 795 G CA 1.140 46.094 45.100 -0.242 0.000 0.628 795 G HN 1.437 nan 8.290 nan 0.000 0.544 796 F N 2.175 122.148 119.950 0.037 0.000 2.522 796 F HA 0.573 5.103 4.527 0.006 0.000 0.324 796 F C -1.787 174.041 175.800 0.046 0.000 1.077 796 F CA -2.479 55.542 58.000 0.036 0.000 0.944 796 F CB 1.928 40.947 39.000 0.031 0.000 1.175 796 F HN -0.191 nan 8.300 nan 0.000 0.468 797 P HA 0.102 nan 4.420 nan 0.000 0.264 797 P C -0.127 177.273 177.300 0.166 0.000 1.193 797 P CA 0.150 63.344 63.100 0.158 0.000 0.763 797 P CB 0.648 32.411 31.700 0.105 0.000 0.810 798 G N 4.104 113.019 108.800 0.192 0.000 2.537 798 G HA2 0.480 4.444 3.960 0.006 0.000 0.297 798 G HA3 0.480 4.444 3.960 0.006 0.000 0.297 798 G C -2.442 172.573 174.900 0.193 0.000 1.310 798 G CA -1.592 43.618 45.100 0.183 0.000 1.027 798 G HN 0.393 nan 8.290 nan 0.000 0.505 799 P HA 0.053 nan 4.420 nan 0.000 0.267 799 P C 0.091 177.522 177.300 0.220 0.000 1.200 799 P CA 0.247 63.434 63.100 0.145 0.000 0.772 799 P CB 1.020 32.779 31.700 0.100 0.000 0.855 800 K N -0.815 119.674 120.400 0.148 0.000 3.363 800 K HA -0.223 4.101 4.320 0.006 0.000 0.313 800 K C 0.195 176.814 176.600 0.032 0.000 1.259 800 K CA 0.501 56.869 56.287 0.134 0.000 0.942 800 K CB -1.582 31.034 32.500 0.193 0.000 1.229 800 K HN 0.693 nan 8.250 nan 0.000 0.440 801 C N 2.000 121.289 119.300 -0.018 0.000 2.517 801 C HA 0.109 4.573 4.460 0.006 0.000 0.403 801 C C -1.602 173.153 174.990 -0.391 0.000 1.467 801 C CA -1.260 57.501 59.018 -0.428 0.000 1.542 801 C CB -0.438 27.231 27.740 -0.120 0.000 2.482 801 C HN 0.194 nan 8.230 nan 0.000 0.610 802 P HA 0.047 nan 4.420 nan 0.000 0.269 802 P C 0.583 177.784 177.300 -0.166 0.000 1.217 802 P CA -0.030 62.885 63.100 -0.308 0.000 0.783 802 P CB 0.250 31.682 31.700 -0.446 0.000 0.898 803 F N 2.591 122.481 119.950 -0.100 0.000 2.026 803 F HA -0.274 4.257 4.527 0.006 0.000 0.296 803 F C 2.596 178.377 175.800 -0.031 0.000 1.133 803 F CA 2.118 60.104 58.000 -0.023 0.000 1.188 803 F CB -0.877 38.157 39.000 0.055 0.000 0.968 803 F HN 0.503 nan 8.300 nan 0.000 0.476 804 H N -0.138 118.933 119.070 0.001 0.000 2.387 804 H HA -0.157 4.402 4.556 0.006 0.000 0.299 804 H C 2.270 177.512 175.328 -0.144 0.000 1.099 804 H CA 1.874 57.850 56.048 -0.119 0.000 1.315 804 H CB -1.313 28.421 29.762 -0.046 0.000 1.380 804 H HN 0.271 nan 8.280 nan 0.000 0.513 805 I N 1.507 121.649 120.570 -0.715 0.000 2.286 805 I HA -0.197 3.976 4.170 0.006 0.000 0.248 805 I C 2.874 178.842 176.117 -0.248 0.000 1.115 805 I CA 1.026 62.050 61.300 -0.459 0.000 1.392 805 I CB -0.933 36.739 38.000 -0.546 0.000 1.065 805 I HN 0.269 nan 8.210 nan 0.000 0.418 806 R N 1.181 121.525 120.500 -0.261 0.000 2.081 806 R HA -0.127 4.216 4.340 0.006 0.000 0.235 806 R C 2.398 178.599 176.300 -0.165 0.000 1.131 806 R CA 1.633 57.630 56.100 -0.171 0.000 0.960 806 R CB -0.499 29.699 30.300 -0.170 0.000 0.856 806 R HN 0.349 nan 8.270 nan 0.000 0.436 807 G N 1.506 110.153 108.800 -0.256 0.000 2.446 807 G HA2 -0.257 3.707 3.960 0.006 0.000 0.217 807 G HA3 -0.257 3.707 3.960 0.006 0.000 0.217 807 G C 1.501 176.370 174.900 -0.051 0.000 1.168 807 G CA 1.123 46.109 45.100 -0.191 0.000 0.771 807 G HN 0.287 nan 8.290 nan 0.000 0.551 808 I N 0.492 121.038 120.570 -0.040 0.000 2.076 808 I HA -0.201 3.972 4.170 0.006 0.000 0.237 808 I C 2.796 178.968 176.117 0.092 0.000 1.059 808 I CA 0.946 62.278 61.300 0.053 0.000 1.317 808 I CB -0.509 37.506 38.000 0.025 0.000 1.037 808 I HN 0.121 nan 8.210 nan 0.000 0.398 809 L N 0.557 121.794 121.223 0.023 0.000 2.054 809 L HA -0.321 4.022 4.340 0.006 0.000 0.220 809 L C 2.874 179.734 176.870 -0.016 0.000 1.081 809 L CA 2.389 57.229 54.840 -0.000 0.000 0.780 809 L CB -1.493 40.560 42.059 -0.009 0.000 0.893 809 L HN 0.538 nan 8.230 nan 0.000 0.438 810 T N -3.118 111.442 114.554 0.010 0.000 2.788 810 T HA -0.296 4.058 4.350 0.006 0.000 0.268 810 T C 1.787 176.529 174.700 0.070 0.000 1.044 810 T CA 1.425 63.541 62.100 0.027 0.000 1.139 810 T CB -0.689 68.206 68.868 0.044 0.000 0.867 810 T HN 0.395 nan 8.240 nan 0.000 0.454 811 Y N 3.577 123.858 120.300 -0.032 0.000 2.114 811 Y HA -0.108 4.446 4.550 0.006 0.000 0.284 811 Y C 2.138 178.041 175.900 0.006 0.000 1.143 811 Y CA 1.799 59.893 58.100 -0.010 0.000 1.135 811 Y CB -0.833 37.643 38.460 0.027 0.000 0.980 811 Y HN 0.183 nan 8.280 nan 0.000 0.499 812 N N 0.598 119.244 118.700 -0.089 0.000 2.430 812 N HA -0.152 4.591 4.740 0.006 0.000 0.186 812 N C 1.609 177.011 175.510 -0.180 0.000 1.032 812 N CA 1.324 54.262 53.050 -0.186 0.000 0.893 812 N CB -0.322 38.131 38.487 -0.057 0.000 0.957 812 N HN 0.540 nan 8.380 nan 0.000 0.442 813 R N 0.119 120.534 120.500 -0.142 0.000 2.173 813 R HA 0.221 4.564 4.340 0.006 0.000 0.208 813 R C 1.725 177.981 176.300 -0.073 0.000 1.035 813 R CA 0.636 56.656 56.100 -0.133 0.000 1.004 813 R CB 0.081 30.278 30.300 -0.171 0.000 0.917 813 R HN 0.128 nan 8.270 nan 0.000 0.462 814 A N 1.402 124.195 122.820 -0.046 0.000 2.169 814 A HA 0.031 4.354 4.320 0.006 0.000 0.212 814 A C 1.818 179.360 177.584 -0.071 0.000 1.153 814 A CA 0.499 52.556 52.037 0.034 0.000 0.756 814 A CB -0.195 18.937 19.000 0.220 0.000 0.813 814 A HN 0.409 nan 8.150 nan 0.000 0.471 815 I N -4.621 115.829 120.570 -0.200 0.000 4.240 815 I HA 0.322 4.495 4.170 0.006 0.000 0.331 815 I C 0.487 176.519 176.117 -0.141 0.000 1.381 815 I CA -0.451 60.728 61.300 -0.202 0.000 1.136 815 I CB -0.015 37.762 38.000 -0.373 0.000 1.137 815 I HN -0.028 nan 8.210 nan 0.000 0.411 816 K N 2.859 123.183 120.400 -0.127 0.000 2.404 816 K HA 0.155 4.479 4.320 0.006 0.000 0.271 816 K C 1.200 177.762 176.600 -0.063 0.000 1.130 816 K CA 1.588 57.819 56.287 -0.094 0.000 1.181 816 K CB -0.237 32.208 32.500 -0.090 0.000 0.840 816 K HN 0.652 nan 8.250 nan 0.000 0.483 817 G N 3.715 112.484 108.800 -0.051 0.000 2.659 817 G HA2 -0.311 3.652 3.960 0.006 0.000 0.212 817 G HA3 -0.311 3.652 3.960 0.006 0.000 0.212 817 G C 0.254 175.140 174.900 -0.023 0.000 1.226 817 G CA 0.002 45.083 45.100 -0.032 0.000 0.739 817 G HN 0.709 nan 8.290 nan 0.000 0.528 818 N N 2.300 120.982 118.700 -0.029 0.000 2.657 818 N HA 0.088 4.832 4.740 0.006 0.000 0.308 818 N C 0.752 176.257 175.510 -0.008 0.000 1.212 818 N CA 0.287 53.326 53.050 -0.018 0.000 1.157 818 N CB -0.763 37.710 38.487 -0.024 0.000 1.462 818 N HN 0.553 nan 8.380 nan 0.000 0.509 819 I N 1.565 122.138 120.570 0.006 0.000 2.426 819 I HA -0.025 4.148 4.170 0.006 0.000 0.282 819 I C 0.749 176.888 176.117 0.037 0.000 1.064 819 I CA 0.229 61.544 61.300 0.025 0.000 2.047 819 I CB -0.224 37.795 38.000 0.032 0.000 1.497 819 I HN 0.321 nan 8.210 nan 0.000 0.899 820 D N 1.568 121.990 120.400 0.036 0.000 2.059 820 D HA 0.171 4.814 4.640 0.006 0.000 0.398 820 D C 0.746 177.081 176.300 0.058 0.000 1.003 820 D CA -0.038 53.986 54.000 0.041 0.000 0.916 820 D CB 0.466 41.282 40.800 0.027 0.000 1.647 820 D HN 0.290 nan 8.370 nan 0.000 0.529 821 A N 1.433 124.284 122.820 0.052 0.000 2.351 821 A HA 0.551 4.874 4.320 0.006 0.000 0.257 821 A C -2.203 175.455 177.584 0.124 0.000 1.087 821 A CA -0.883 51.201 52.037 0.079 0.000 0.798 821 A CB -0.065 18.954 19.000 0.032 0.000 1.033 821 A HN 0.186 nan 8.150 nan 0.000 0.488 822 P HA 0.103 nan 4.420 nan 0.000 0.267 822 P C -0.731 176.733 177.300 0.272 0.000 1.205 822 P CA 0.051 63.277 63.100 0.210 0.000 0.765 822 P CB 0.679 32.508 31.700 0.214 0.000 0.828 823 Q N 1.272 121.192 119.800 0.200 0.000 2.185 823 Q HA 0.385 4.728 4.340 0.006 0.000 0.225 823 Q C -0.263 175.843 176.000 0.176 0.000 0.983 823 Q CA -0.865 55.061 55.803 0.206 0.000 0.950 823 Q CB 0.921 29.740 28.738 0.135 0.000 1.176 823 Q HN 0.248 nan 8.270 nan 0.000 0.510 824 V N 1.399 121.412 119.914 0.164 0.000 2.370 824 V HA 0.225 4.348 4.120 0.006 0.000 0.279 824 V C -0.165 175.948 176.094 0.032 0.000 1.029 824 V CA -0.636 61.710 62.300 0.077 0.000 0.870 824 V CB 1.485 33.361 31.823 0.087 0.000 0.984 824 V HN 0.420 nan 8.190 nan 0.000 0.451 825 V N 3.850 123.751 119.914 -0.021 0.000 2.461 825 V HA 0.252 4.376 4.120 0.006 0.000 0.275 825 V C 0.419 176.494 176.094 -0.033 0.000 1.047 825 V CA -0.717 61.559 62.300 -0.039 0.000 0.955 825 V CB 1.253 33.017 31.823 -0.099 0.000 0.988 825 V HN 0.983 nan 8.190 nan 0.000 0.471 826 E N 4.137 124.329 120.200 -0.012 0.000 2.585 826 E HA 0.289 4.642 4.350 0.006 0.000 0.252 826 E C 1.182 177.762 176.600 -0.033 0.000 0.981 826 E CA 1.389 57.783 56.400 -0.009 0.000 0.943 826 E CB -0.069 29.630 29.700 -0.001 0.000 0.923 826 E HN 1.010 nan 8.360 nan 0.000 0.486 827 G N 4.021 112.802 108.800 -0.032 0.000 2.279 827 G HA2 -0.229 3.734 3.960 0.006 0.000 0.223 827 G HA3 -0.229 3.734 3.960 0.006 0.000 0.223 827 G C 0.045 174.902 174.900 -0.072 0.000 1.015 827 G CA 0.107 45.175 45.100 -0.053 0.000 0.621 827 G HN 0.568 nan 8.290 nan 0.000 0.506 828 E N 1.175 121.328 120.200 -0.078 0.000 2.369 828 E HA 0.488 4.842 4.350 0.006 0.000 0.255 828 E C 0.439 176.973 176.600 -0.110 0.000 1.172 828 E CA -0.083 56.261 56.400 -0.094 0.000 0.932 828 E CB 0.650 30.288 29.700 -0.105 0.000 1.040 828 E HN 0.509 nan 8.360 nan 0.000 0.454 829 K N 0.117 120.428 120.400 -0.149 0.000 2.090 829 K HA 0.502 4.826 4.320 0.006 0.000 0.249 829 K C -0.272 176.129 176.600 -0.331 0.000 0.995 829 K CA -0.751 55.403 56.287 -0.222 0.000 0.914 829 K CB 1.440 33.790 32.500 -0.250 0.000 1.057 829 K HN 0.352 nan 8.250 nan 0.000 0.462 830 V N -1.401 118.279 119.914 -0.389 0.000 2.971 830 V HA 0.408 4.531 4.120 0.006 0.000 0.309 830 V C -1.298 174.413 176.094 -0.640 0.000 1.130 830 V CA -1.170 60.820 62.300 -0.517 0.000 0.964 830 V CB 0.918 32.544 31.823 -0.329 0.000 1.029 830 V HN 0.541 nan 8.190 nan 0.000 0.427 831 Y N 1.996 121.782 120.300 -0.858 0.000 2.336 831 Y HA 0.689 5.243 4.550 0.006 0.000 0.331 831 Y C 0.466 175.870 175.900 -0.827 0.000 1.211 831 Y CA -0.428 57.070 58.100 -1.003 0.000 1.346 831 Y CB 1.533 38.932 38.460 -1.769 0.000 1.271 831 Y HN 0.610 nan 8.280 nan 0.000 0.538 832 V N 5.106 124.866 119.914 -0.258 0.000 2.569 832 V HA 0.431 4.555 4.120 0.006 0.000 0.301 832 V C -0.675 175.467 176.094 0.079 0.000 1.044 832 V CA -0.991 61.264 62.300 -0.075 0.000 0.874 832 V CB 1.809 33.631 31.823 -0.003 0.000 1.002 832 V HN 0.536 nan 8.190 nan 0.000 0.424 833 L N 6.593 127.918 121.223 0.170 0.000 2.381 833 L HA 0.644 4.988 4.340 0.006 0.000 0.268 833 L C -2.451 174.523 176.870 0.174 0.000 0.997 833 L CA -1.819 53.140 54.840 0.198 0.000 0.818 833 L CB 3.503 45.719 42.059 0.261 0.000 1.310 833 L HN 0.410 nan 8.230 nan 0.000 0.416 834 P HA 0.261 nan 4.420 nan 0.000 0.278 834 P C -1.371 176.049 177.300 0.199 0.000 1.238 834 P CA -0.298 62.951 63.100 0.248 0.000 0.794 834 P CB 1.256 33.117 31.700 0.267 0.000 0.955 835 L N 2.976 124.323 121.223 0.207 0.000 2.349 835 L HA 0.472 4.816 4.340 0.006 0.000 0.278 835 L C 1.263 178.268 176.870 0.225 0.000 0.996 835 L CA -1.062 53.919 54.840 0.234 0.000 0.825 835 L CB 1.585 43.777 42.059 0.221 0.000 1.243 835 L HN 0.400 nan 8.230 nan 0.000 0.412 836 R N 1.321 121.986 120.500 0.275 0.000 2.784 836 R HA 0.095 4.438 4.340 0.006 0.000 0.266 836 R C -0.141 176.256 176.300 0.161 0.000 1.044 836 R CA -0.688 55.556 56.100 0.240 0.000 1.151 836 R CB 0.245 30.728 30.300 0.305 0.000 1.037 836 R HN 0.681 nan 8.270 nan 0.000 0.478 837 E N 0.917 121.192 120.200 0.124 0.000 2.694 837 E HA 0.084 4.437 4.350 0.006 0.000 0.250 837 E C 0.019 176.607 176.600 -0.019 0.000 0.963 837 E CA 0.353 56.788 56.400 0.058 0.000 0.949 837 E CB -0.066 29.674 29.700 0.067 0.000 0.911 837 E HN 0.913 nan 8.360 nan 0.000 0.500 838 G N 3.676 112.405 108.800 -0.118 0.000 3.421 838 G HA2 -0.135 3.829 3.960 0.006 0.000 0.656 838 G HA3 -0.135 3.829 3.960 0.006 0.000 0.656 838 G C -1.033 173.418 174.900 -0.748 0.000 1.007 838 G CA -0.262 44.663 45.100 -0.292 0.000 0.811 838 G HN 1.107 nan 8.290 nan 0.000 0.433 839 N N 1.553 119.820 118.700 -0.722 0.000 2.598 839 N HA 0.738 5.481 4.740 0.006 0.000 0.263 839 N C -1.322 173.784 175.510 -0.673 0.000 1.254 839 N CA -1.319 51.034 53.050 -1.161 0.000 0.863 839 N CB 1.698 39.730 38.487 -0.757 0.000 1.586 839 N HN 0.145 nan 8.380 nan 0.000 0.491 840 P HA -0.145 nan 4.420 nan 0.000 0.220 840 P C 0.393 177.428 177.300 -0.442 0.000 1.144 840 P CA 1.243 64.024 63.100 -0.531 0.000 0.800 840 P CB -0.028 31.331 31.700 -0.568 0.000 0.772 841 F N 0.361 120.251 119.950 -0.100 0.000 2.367 841 F HA 0.257 4.787 4.527 0.006 0.000 0.298 841 F C 1.838 177.624 175.800 -0.023 0.000 1.094 841 F CA 0.790 58.771 58.000 -0.033 0.000 1.409 841 F CB -1.544 37.458 39.000 0.003 0.000 1.064 841 F HN 0.006 nan 8.300 nan 0.000 0.528 842 G N 1.446 110.282 108.800 0.061 0.000 2.370 842 G HA2 -0.182 3.781 3.960 0.006 0.000 0.295 842 G HA3 -0.182 3.781 3.960 0.006 0.000 0.295 842 G C -0.594 174.368 174.900 0.103 0.000 1.045 842 G CA 0.478 45.604 45.100 0.044 0.000 1.199 842 G HN 0.383 nan 8.290 nan 0.000 0.513 843 D N -1.551 118.910 120.400 0.100 0.000 2.764 843 D HA 0.171 4.815 4.640 0.006 0.000 0.293 843 D C 1.279 177.636 176.300 0.095 0.000 1.287 843 D CA -0.685 53.374 54.000 0.099 0.000 0.768 843 D CB 0.438 41.300 40.800 0.103 0.000 1.288 843 D HN 0.051 nan 8.370 nan 0.000 0.426 844 K N -0.468 119.989 120.400 0.096 0.000 2.057 844 K HA 0.006 4.329 4.320 0.006 0.000 0.207 844 K C 1.054 177.726 176.600 0.121 0.000 1.049 844 K CA 1.527 57.903 56.287 0.149 0.000 0.931 844 K CB -0.132 32.522 32.500 0.256 0.000 0.714 844 K HN 0.580 nan 8.250 nan 0.000 0.440 845 C N -2.553 116.731 119.300 -0.027 0.000 3.292 845 C HA 0.775 5.238 4.460 0.006 0.000 0.369 845 C C -0.980 173.947 174.990 -0.105 0.000 1.664 845 C CA -1.477 57.492 59.018 -0.083 0.000 1.204 845 C CB 0.838 28.378 27.740 -0.333 0.000 1.978 845 C HN 0.293 nan 8.230 nan 0.000 0.435 846 I N 0.386 120.905 120.570 -0.086 0.000 2.841 846 I HA 0.689 4.862 4.170 0.006 0.000 0.298 846 I C -1.025 175.123 176.117 0.052 0.000 1.304 846 I CA -0.378 60.893 61.300 -0.049 0.000 1.019 846 I CB 2.088 39.987 38.000 -0.168 0.000 1.282 846 I HN 1.350 nan 8.210 nan 0.000 0.432 847 A N 5.329 128.184 122.820 0.058 0.000 2.486 847 A HA 0.839 5.162 4.320 0.006 0.000 0.300 847 A C -2.039 175.497 177.584 -0.081 0.000 1.048 847 A CA -0.437 51.606 52.037 0.010 0.000 0.696 847 A CB 1.195 20.139 19.000 -0.094 0.000 1.278 847 A HN 0.865 nan 8.150 nan 0.000 0.405 848 W N 0.723 121.800 121.300 -0.371 0.000 3.083 848 W HA 0.727 5.390 4.660 0.005 0.000 0.333 848 W C -3.375 172.969 176.519 -0.291 0.000 1.217 848 W CA -2.756 54.236 57.345 -0.587 0.000 1.170 848 W CB 0.393 29.478 29.460 -0.624 0.000 1.437 848 W HN 0.432 nan 8.180 nan 0.000 0.557 849 P HA -0.025 nan 4.420 nan 0.000 0.261 849 P C 0.310 177.398 177.300 -0.354 0.000 1.173 849 P CA 0.697 63.666 63.100 -0.218 0.000 0.760 849 P CB 0.649 32.323 31.700 -0.044 0.000 0.783 850 S N 2.610 117.954 115.700 -0.593 0.000 2.600 850 S HA 0.428 4.902 4.470 0.006 0.000 0.265 850 S C 1.503 175.847 174.600 -0.426 0.000 1.325 850 S CA 0.238 57.849 58.200 -0.982 0.000 1.002 850 S CB 0.156 62.599 63.200 -1.261 0.000 0.921 850 S HN 0.901 nan 8.310 nan 0.000 0.554 851 G N 0.252 108.918 108.800 -0.223 0.000 2.328 851 G HA2 -0.276 3.688 3.960 0.006 0.000 0.256 851 G HA3 -0.276 3.688 3.960 0.006 0.000 0.256 851 G C 0.351 175.381 174.900 0.217 0.000 1.014 851 G CA 0.814 45.942 45.100 0.046 0.000 0.620 851 G HN 1.848 nan 8.290 nan 0.000 0.530 852 T N -1.114 113.597 114.554 0.261 0.000 2.895 852 T HA 0.659 5.012 4.350 0.006 0.000 0.283 852 T C -0.278 174.708 174.700 0.476 0.000 1.014 852 T CA -0.398 61.878 62.100 0.294 0.000 1.037 852 T CB 2.336 71.349 68.868 0.241 0.000 1.006 852 T HN 0.288 nan 8.240 nan 0.000 0.468 853 E N 1.976 122.363 120.200 0.311 0.000 2.289 853 E HA 0.237 4.590 4.350 0.006 0.000 0.278 853 E C 0.191 176.864 176.600 0.122 0.000 1.032 853 E CA -0.504 56.071 56.400 0.292 0.000 0.854 853 E CB 1.531 31.357 29.700 0.210 0.000 1.046 853 E HN 0.649 nan 8.360 nan 0.000 0.409 854 I N 2.974 123.392 120.570 -0.253 0.000 2.845 854 I HA -0.111 4.063 4.170 0.006 0.000 0.296 854 I C 0.653 176.681 176.117 -0.149 0.000 1.216 854 I CA 0.137 61.141 61.300 -0.494 0.000 1.438 854 I CB 0.543 37.858 38.000 -1.141 0.000 1.342 854 I HN 0.555 nan 8.210 nan 0.000 0.577 855 T N 3.108 117.656 114.554 -0.010 0.000 2.939 855 T HA -0.051 4.302 4.350 0.006 0.000 0.319 855 T C 0.942 175.637 174.700 -0.009 0.000 1.082 855 T CA -0.246 61.872 62.100 0.029 0.000 1.133 855 T CB 0.391 69.307 68.868 0.080 0.000 1.019 855 T HN 0.634 nan 8.240 nan 0.000 0.548 856 D N 1.021 121.421 120.400 -0.000 0.000 2.271 856 D HA -0.101 4.543 4.640 0.006 0.000 0.207 856 D C 2.000 178.298 176.300 -0.002 0.000 0.983 856 D CA 0.839 54.831 54.000 -0.014 0.000 0.878 856 D CB -0.029 40.770 40.800 -0.002 0.000 0.920 856 D HN 0.556 nan 8.370 nan 0.000 0.479 857 L N 0.332 121.565 121.223 0.018 0.000 2.012 857 L HA -0.176 4.168 4.340 0.006 0.000 0.210 857 L C 2.460 179.364 176.870 0.058 0.000 1.073 857 L CA 1.198 56.057 54.840 0.031 0.000 0.748 857 L CB -0.298 41.781 42.059 0.034 0.000 0.891 857 L HN 0.048 nan 8.230 nan 0.000 0.431 858 I N -1.814 118.799 120.570 0.071 0.000 3.172 858 I HA -0.090 4.084 4.170 0.006 0.000 0.278 858 I C 2.377 178.537 176.117 0.071 0.000 1.174 858 I CA 0.101 61.490 61.300 0.149 0.000 1.445 858 I CB -0.246 37.843 38.000 0.148 0.000 1.175 858 I HN 0.117 nan 8.210 nan 0.000 0.447 859 K N 2.097 122.451 120.400 -0.077 0.000 1.988 859 K HA -0.343 3.981 4.320 0.006 0.000 0.231 859 K C 1.498 178.012 176.600 -0.144 0.000 1.044 859 K CA 2.912 59.076 56.287 -0.205 0.000 1.013 859 K CB -0.320 32.042 32.500 -0.229 0.000 0.736 859 K HN 0.145 nan 8.250 nan 0.000 0.446 860 D N 0.321 120.664 120.400 -0.095 0.000 2.280 860 D HA -0.158 4.486 4.640 0.006 0.000 0.206 860 D C 1.419 177.726 176.300 0.011 0.000 0.988 860 D CA 1.534 55.497 54.000 -0.061 0.000 0.886 860 D CB -0.160 40.611 40.800 -0.048 0.000 0.914 860 D HN 0.341 nan 8.370 nan 0.000 0.473 861 D N -0.948 119.516 120.400 0.107 0.000 2.144 861 D HA -0.078 4.565 4.640 0.006 0.000 0.207 861 D C 2.320 178.879 176.300 0.431 0.000 0.970 861 D CA 0.936 55.086 54.000 0.251 0.000 0.853 861 D CB -0.395 40.609 40.800 0.340 0.000 1.007 861 D HN 0.225 nan 8.370 nan 0.000 0.469 862 V N -0.249 119.909 119.914 0.406 0.000 2.720 862 V HA -0.117 4.006 4.120 0.006 0.000 0.256 862 V C 2.097 178.259 176.094 0.114 0.000 1.082 862 V CA 1.185 63.634 62.300 0.250 0.000 1.101 862 V CB -0.857 30.895 31.823 -0.119 0.000 0.693 862 V HN 0.114 nan 8.190 nan 0.000 0.479 863 L N -0.552 120.670 121.223 -0.001 0.000 2.217 863 L HA -0.034 4.309 4.340 0.006 0.000 0.211 863 L C 2.845 179.736 176.870 0.035 0.000 1.107 863 L CA 1.695 56.498 54.840 -0.061 0.000 0.783 863 L CB -0.802 41.153 42.059 -0.172 0.000 0.919 863 L HN 0.463 nan 8.230 nan 0.000 0.442 864 H N -0.781 118.242 119.070 -0.079 0.000 2.329 864 H HA -0.100 4.460 4.556 0.006 0.000 0.306 864 H C 1.591 176.799 175.328 -0.201 0.000 1.062 864 H CA 1.357 57.261 56.048 -0.240 0.000 1.364 864 H CB -0.031 29.436 29.762 -0.492 0.000 1.409 864 H HN 0.316 nan 8.280 nan 0.000 0.519 865 W N 1.143 122.642 121.300 0.332 0.000 3.077 865 W HA 0.109 4.772 4.660 0.006 0.000 0.245 865 W C 0.862 177.511 176.519 0.217 0.000 1.316 865 W CA -0.540 56.976 57.345 0.285 0.000 1.537 865 W CB -0.121 29.531 29.460 0.320 0.000 1.131 865 W HN 0.023 nan 8.180 nan 0.000 0.695 866 M N 1.267 121.064 119.600 0.329 0.000 2.246 866 M HA -0.106 4.378 4.480 0.006 0.000 0.327 866 M C 0.301 176.739 176.300 0.230 0.000 1.090 866 M CA 1.040 56.445 55.300 0.176 0.000 1.087 866 M CB 0.273 32.847 32.600 -0.043 0.000 1.587 866 M HN -0.211 nan 8.290 nan 0.000 0.444 867 D N 2.407 122.899 120.400 0.152 0.000 2.485 867 D HA 0.144 4.787 4.640 0.006 0.000 0.256 867 D C 0.124 176.550 176.300 0.209 0.000 1.141 867 D CA -0.080 54.058 54.000 0.230 0.000 0.942 867 D CB 0.160 41.092 40.800 0.220 0.000 1.003 867 D HN 0.466 nan 8.370 nan 0.000 0.507 868 Y N 0.560 120.973 120.300 0.188 0.000 2.256 868 Y HA -0.248 4.306 4.550 0.005 0.000 0.288 868 Y C 2.671 178.795 175.900 0.374 0.000 1.155 868 Y CA 1.566 59.852 58.100 0.311 0.000 1.203 868 Y CB -0.267 38.309 38.460 0.195 0.000 0.980 868 Y HN 0.325 nan 8.280 nan 0.000 0.530 869 T N -2.499 112.286 114.554 0.386 0.000 2.788 869 T HA -0.166 4.187 4.350 0.006 0.000 0.268 869 T C 1.901 176.709 174.700 0.180 0.000 1.044 869 T CA 1.410 63.657 62.100 0.243 0.000 1.139 869 T CB -1.050 67.927 68.868 0.183 0.000 0.867 869 T HN 0.164 nan 8.240 nan 0.000 0.454 870 V N 1.409 121.433 119.914 0.183 0.000 2.379 870 V HA 0.006 4.130 4.120 0.006 0.000 0.245 870 V C 2.697 178.869 176.094 0.131 0.000 1.044 870 V CA 1.112 63.492 62.300 0.134 0.000 1.036 870 V CB -0.756 31.150 31.823 0.139 0.000 0.664 870 V HN 0.397 nan 8.190 nan 0.000 0.453 871 L N -0.732 120.604 121.223 0.189 0.000 2.042 871 L HA -0.223 4.120 4.340 0.006 0.000 0.210 871 L C 2.445 179.403 176.870 0.146 0.000 1.076 871 L CA 1.542 56.511 54.840 0.215 0.000 0.749 871 L CB -0.459 41.798 42.059 0.331 0.000 0.893 871 L HN 0.338 nan 8.230 nan 0.000 0.432 872 L N -0.357 120.884 121.223 0.031 0.000 2.093 872 L HA -0.198 4.145 4.340 0.006 0.000 0.208 872 L C 2.328 179.179 176.870 -0.031 0.000 1.085 872 L CA 1.664 56.332 54.840 -0.286 0.000 0.755 872 L CB -0.217 41.526 42.059 -0.527 0.000 0.904 872 L HN 0.159 nan 8.230 nan 0.000 0.435 873 E N -0.630 119.580 120.200 0.017 0.000 2.060 873 E HA -0.133 4.221 4.350 0.006 0.000 0.189 873 E C 2.182 178.775 176.600 -0.012 0.000 0.974 873 E CA 1.155 57.564 56.400 0.015 0.000 0.808 873 E CB 0.041 29.760 29.700 0.031 0.000 0.768 873 E HN 0.340 nan 8.360 nan 0.000 0.453 874 K N -0.852 119.549 120.400 0.002 0.000 2.031 874 K HA -0.022 4.302 4.320 0.006 0.000 0.205 874 K C 1.995 178.584 176.600 -0.020 0.000 1.049 874 K CA 1.712 57.985 56.287 -0.023 0.000 0.939 874 K CB 0.022 32.506 32.500 -0.027 0.000 0.717 874 K HN 0.092 nan 8.250 nan 0.000 0.438 875 T N -0.203 114.369 114.554 0.031 0.000 3.009 875 T HA -0.010 4.343 4.350 0.006 0.000 0.258 875 T C 1.204 175.945 174.700 0.069 0.000 1.063 875 T CA 0.700 62.834 62.100 0.056 0.000 1.139 875 T CB -0.046 68.894 68.868 0.120 0.000 0.890 875 T HN 0.121 nan 8.240 nan 0.000 0.471 876 F N 0.558 120.433 119.950 -0.125 0.000 2.480 876 F HA 0.423 4.954 4.527 0.005 0.000 0.280 876 F C 1.681 177.331 175.800 -0.249 0.000 1.002 876 F CA -0.118 57.767 58.000 -0.192 0.000 1.325 876 F CB -0.068 38.813 39.000 -0.198 0.000 1.134 876 F HN -0.054 nan 8.300 nan 0.000 0.646 877 I N 0.497 120.922 120.570 -0.240 0.000 2.193 877 I HA -0.238 3.936 4.170 0.006 0.000 0.240 877 I C 2.383 178.239 176.117 -0.435 0.000 1.084 877 I CA 1.391 62.442 61.300 -0.415 0.000 1.365 877 I CB -0.612 37.303 38.000 -0.143 0.000 1.064 877 I HN 0.069 nan 8.210 nan 0.000 0.410 878 K N 1.296 121.541 120.400 -0.259 0.000 2.034 878 K HA -0.203 4.120 4.320 0.006 0.000 0.214 878 K C -0.507 175.895 176.600 -0.329 0.000 1.051 878 K CA 2.206 58.360 56.287 -0.221 0.000 0.931 878 K CB -0.962 31.456 32.500 -0.136 0.000 0.715 878 K HN 0.132 nan 8.250 nan 0.000 0.446 879 P HA -0.175 nan 4.420 nan 0.000 0.215 879 P C 1.262 177.900 177.300 -1.103 0.000 1.157 879 P CA 0.967 63.703 63.100 -0.607 0.000 0.868 879 P CB -0.007 31.384 31.700 -0.514 0.000 0.788 880 L N 0.412 120.985 121.223 -1.083 0.000 2.079 880 L HA -0.183 4.160 4.340 0.006 0.000 0.210 880 L C 2.198 178.682 176.870 -0.642 0.000 1.081 880 L CA 1.996 56.199 54.840 -1.062 0.000 0.752 880 L CB -1.365 40.015 42.059 -1.131 0.000 0.896 880 L HN -0.127 nan 8.230 nan 0.000 0.433 881 E N -0.544 119.364 120.200 -0.487 0.000 2.204 881 E HA -0.118 4.235 4.350 0.006 0.000 0.195 881 E C 2.065 178.585 176.600 -0.133 0.000 0.990 881 E CA 1.341 57.648 56.400 -0.156 0.000 0.821 881 E CB -0.627 29.020 29.700 -0.087 0.000 0.750 881 E HN 0.512 nan 8.360 nan 0.000 0.477 882 G N -0.685 107.989 108.800 -0.211 0.000 2.396 882 G HA2 -0.153 3.810 3.960 0.006 0.000 0.214 882 G HA3 -0.153 3.810 3.960 0.006 0.000 0.214 882 G C 1.123 176.103 174.900 0.134 0.000 1.166 882 G CA 0.570 45.649 45.100 -0.035 0.000 0.793 882 G HN 0.228 nan 8.290 nan 0.000 0.533 883 F N 2.202 122.072 119.950 -0.133 0.000 2.113 883 F HA -0.046 4.485 4.527 0.006 0.000 0.297 883 F C 3.142 178.658 175.800 -0.474 0.000 1.103 883 F CA 1.380 59.222 58.000 -0.264 0.000 1.248 883 F CB -1.487 37.373 39.000 -0.233 0.000 0.999 883 F HN 0.258 nan 8.300 nan 0.000 0.475 884 T N -3.271 111.210 114.554 -0.121 0.000 2.951 884 T HA -0.117 4.236 4.350 0.006 0.000 0.268 884 T C 2.210 176.834 174.700 -0.125 0.000 1.073 884 T CA 1.196 63.200 62.100 -0.161 0.000 1.134 884 T CB -0.706 68.118 68.868 -0.074 0.000 0.884 884 T HN 0.201 nan 8.240 nan 0.000 0.479 885 S N 1.602 117.258 115.700 -0.075 0.000 2.356 885 S HA 0.025 4.499 4.470 0.006 0.000 0.223 885 S C 2.447 177.021 174.600 -0.044 0.000 1.032 885 S CA 1.275 59.443 58.200 -0.052 0.000 1.005 885 S CB -0.924 62.261 63.200 -0.025 0.000 0.867 885 S HN 0.737 nan 8.310 nan 0.000 0.449 886 A N 0.981 123.786 122.820 -0.026 0.000 1.929 886 A HA 0.367 4.690 4.320 0.006 0.000 0.216 886 A C 2.374 179.933 177.584 -0.043 0.000 1.176 886 A CA 1.550 53.598 52.037 0.019 0.000 0.628 886 A CB -1.143 17.938 19.000 0.136 0.000 0.816 886 A HN 0.783 nan 8.150 nan 0.000 0.444 887 A N -1.506 121.202 122.820 -0.186 0.000 2.119 887 A HA 0.157 4.480 4.320 0.006 0.000 0.217 887 A C 0.917 178.425 177.584 -0.127 0.000 1.153 887 A CA 1.134 53.043 52.037 -0.214 0.000 0.692 887 A CB -0.120 18.624 19.000 -0.427 0.000 0.799 887 A HN 0.326 nan 8.150 nan 0.000 0.458 888 K N -1.587 118.747 120.400 -0.110 0.000 3.161 888 K HA -0.136 4.187 4.320 0.006 0.000 0.270 888 K C -0.420 176.125 176.600 -0.093 0.000 1.115 888 K CA 0.803 57.037 56.287 -0.088 0.000 0.789 888 K CB -2.596 29.859 32.500 -0.074 0.000 1.256 888 K HN 0.562 nan 8.250 nan 0.000 0.492 889 L N -0.685 120.473 121.223 -0.110 0.000 2.177 889 L HA 0.595 4.938 4.340 0.006 0.000 0.255 889 L C -0.148 176.640 176.870 -0.137 0.000 1.065 889 L CA -1.104 53.672 54.840 -0.107 0.000 0.982 889 L CB 1.206 43.206 42.059 -0.098 0.000 1.559 889 L HN -0.083 nan 8.230 nan 0.000 0.492 890 D N -1.314 118.991 120.400 -0.159 0.000 2.990 890 D HA 0.202 4.845 4.640 0.006 0.000 0.227 890 D C -0.543 175.587 176.300 -0.284 0.000 1.249 890 D CA -0.290 53.536 54.000 -0.290 0.000 0.891 890 D CB 2.030 42.649 40.800 -0.302 0.000 1.647 890 D HN 0.477 nan 8.370 nan 0.000 0.530 891 Y N 0.106 120.230 120.300 -0.295 0.000 2.519 891 Y HA 0.281 4.835 4.550 0.005 0.000 0.287 891 Y C 0.499 176.174 175.900 -0.375 0.000 1.128 891 Y CA 0.053 57.919 58.100 -0.389 0.000 1.282 891 Y CB 0.439 38.458 38.460 -0.735 0.000 1.027 891 Y HN 0.154 nan 8.280 nan 0.000 0.551 892 E N 1.918 121.701 120.200 -0.695 0.000 2.216 892 E HA 0.188 4.541 4.350 0.006 0.000 0.260 892 E C -1.090 175.372 176.600 -0.230 0.000 0.880 892 E CA -0.896 55.312 56.400 -0.320 0.000 0.765 892 E CB 0.978 30.464 29.700 -0.357 0.000 1.174 892 E HN 0.125 nan 8.360 nan 0.000 0.417 893 K N 4.081 124.433 120.400 -0.080 0.000 2.437 893 K HA -0.030 4.294 4.320 0.006 0.000 0.277 893 K C -0.488 176.067 176.600 -0.075 0.000 1.073 893 K CA 0.471 56.719 56.287 -0.065 0.000 1.105 893 K CB 0.350 32.846 32.500 -0.007 0.000 0.881 893 K HN 0.315 nan 8.250 nan 0.000 0.475 894 K N 2.592 122.931 120.400 -0.101 0.000 2.270 894 K HA 0.153 4.477 4.320 0.006 0.000 0.276 894 K C -0.108 176.459 176.600 -0.054 0.000 1.023 894 K CA -0.498 55.736 56.287 -0.089 0.000 0.955 894 K CB 1.110 33.545 32.500 -0.108 0.000 0.975 894 K HN 0.667 nan 8.250 nan 0.000 0.471 895 A N 2.209 125.006 122.820 -0.037 0.000 2.567 895 A HA 0.047 4.371 4.320 0.006 0.000 0.240 895 A C 0.299 177.868 177.584 -0.025 0.000 1.053 895 A CA 0.029 52.055 52.037 -0.018 0.000 0.755 895 A CB -0.168 18.825 19.000 -0.011 0.000 0.978 895 A HN 0.725 nan 8.150 nan 0.000 0.507 896 S N 2.258 117.952 115.700 -0.011 0.000 2.690 896 S HA 0.533 5.006 4.470 0.006 0.000 0.291 896 S C 0.752 175.369 174.600 0.028 0.000 1.138 896 S CA -0.806 57.375 58.200 -0.032 0.000 1.013 896 S CB 0.931 64.091 63.200 -0.066 0.000 1.053 896 S HN 0.565 nan 8.310 nan 0.000 0.539 897 L N -0.147 121.089 121.223 0.021 0.000 2.633 897 L HA 0.105 4.449 4.340 0.006 0.000 0.235 897 L C 0.910 178.021 176.870 0.401 0.000 1.163 897 L CA 0.994 55.921 54.840 0.144 0.000 0.859 897 L CB -0.879 41.262 42.059 0.135 0.000 0.973 897 L HN 0.689 nan 8.230 nan 0.000 0.451 898 F N -0.687 119.280 119.950 0.028 0.000 2.664 898 F HA 0.093 4.623 4.527 0.005 0.000 0.303 898 F C 0.711 176.517 175.800 0.011 0.000 1.092 898 F CA -0.635 57.419 58.000 0.091 0.000 1.305 898 F CB 0.385 39.520 39.000 0.225 0.000 1.054 898 F HN 0.035 nan 8.300 nan 0.000 0.565 899 D N 2.016 122.495 120.400 0.132 0.000 2.841 899 D HA 0.007 4.650 4.640 0.006 0.000 0.244 899 D C 1.063 177.323 176.300 -0.066 0.000 1.228 899 D CA 0.554 54.582 54.000 0.046 0.000 0.872 899 D CB -0.313 40.505 40.800 0.031 0.000 1.082 899 D HN 0.418 nan 8.370 nan 0.000 0.457 900 M N -3.675 115.788 119.600 -0.228 0.000 3.039 900 M HA 0.296 4.779 4.480 0.006 0.000 0.442 900 M C -0.748 175.208 176.300 -0.572 0.000 1.408 900 M CA -0.245 54.816 55.300 -0.397 0.000 0.804 900 M CB 0.478 32.772 32.600 -0.510 0.000 1.471 900 M HN -0.250 nan 8.290 nan 0.000 0.516 901 F N 1.022 120.975 119.950 0.004 0.000 1.965 901 F HA 0.489 5.019 4.527 0.006 0.000 0.237 901 F C 1.362 177.166 175.800 0.006 0.000 1.132 901 F CA 0.860 58.852 58.000 -0.014 0.000 1.272 901 F CB -0.756 38.218 39.000 -0.042 0.000 1.657 901 F HN 0.423 nan 8.300 nan 0.000 0.525 902 D N 0.000 120.545 120.400 0.242 0.000 6.856 902 D HA 0.000 4.643 4.640 0.006 0.000 0.175 902 D CA 0.000 54.084 54.000 0.141 0.000 0.868 902 D CB 0.000 40.855 40.800 0.092 0.000 0.688 902 D HN 0.000 nan 8.370 nan 0.000 0.683