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 3iyn_1_C DATA FIRST_RESID 2 DATA SEQUENCE TPSMMPQWSY MHISGQDASE YLSPGLVQFA RATETYFSLN NKFRNPTVAP DATA SEQUENCE THDVTTDRSQ RLTLRFIPVD REDTAYSYKA RFTLAVGDNR VLDMASTYFD DATA SEQUENCE IRGVLDRGPT FKPYSGTAYN ALAPKGAPNP CEWDXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXTHVFGQA PYSGINITKE GIQIGVEGQT PKYADKTFQP DATA SEQUENCE EPQIGESQWY ETEINHAAGR VLKKTTPMKP CYGSYAKPTN ENGGQGILVK DATA SEQUENCE QQNGKLESQV EMQFFSTTEA TAGNGDNLTP KVVLYSEDVD IETPDTHISY DATA SEQUENCE MPTIKEGNSR ELMGQQSMPN RPNYIAFRDN FIGLMYYNST GNMGVLAGQA DATA SEQUENCE SQLNAVVDLQ DRNTELSYQL LLDSIGDRTR YFSMWNQAVD SYDPDVRIIE DATA SEQUENCE NHGTEDELPN YCFPLGGVIN TETLTKVKPK TGQENGWEKD ATEFSDKNEI DATA SEQUENCE RVGNNFAMEI NLNANLWRNF LYSNIALYLP DKLKYSPSNV KISDNPNTYD DATA SEQUENCE YMNKRVVAPG LVDCYINLGA RWSLDYMDNV NPFNHHRNAG LRYRSMLLGN DATA SEQUENCE GRYVPFHIQV PQKFFAIKNL LLLPGSYTYE WNFRKDVNMV LQSSLGNDLR DATA SEQUENCE VDGASIKFDS ICLYATFFPM AHNTASTLEA MLRNDTNDQS FNDYLSAANM DATA SEQUENCE LYPIPANATN VPISIPSRNW AAFRGWAFTR LKTKETPSLG SGYDPYYTYS DATA SEQUENCE GSIPYLDGTF YLNHTFKKVA ITFDSSVSWP GNDRLLTPNE FEIKRSVDGE DATA SEQUENCE GYNVAQCNMT KDWFLVQMLA NYNIGYQGFY IPESYKDRMY SFFRNFQPMS DATA SEQUENCE RQVVDDTKYK DYQQVGILHQ HNNSGFVGYL APTMREGQAY PANFPYPLIG DATA SEQUENCE KTAVDSITQK KFLCDRTLWR IPFSSNFMSM GALTDLGQNL LYANSAHALD DATA SEQUENCE MTFEVDPMDE PTLLYVLFEV FDVVRVHRPH RGVIETVYLR TPFSAGNAT 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 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.692 174.700 -0.014 0.000 1.109 2 T CA 0.000 62.103 62.100 0.006 0.000 1.349 2 T CB 0.000 68.876 68.868 0.013 0.000 0.612 3 P HA 0.295 nan 4.420 nan 0.000 0.264 3 P C -0.519 176.683 177.300 -0.163 0.000 1.179 3 P CA -0.117 62.924 63.100 -0.099 0.000 0.763 3 P CB 0.423 32.072 31.700 -0.086 0.000 0.806 4 S N 2.785 118.274 115.700 -0.352 0.000 2.410 4 S HA 0.321 4.791 4.470 -0.000 0.000 0.304 4 S C 0.636 174.986 174.600 -0.416 0.000 1.095 4 S CA -0.794 57.108 58.200 -0.496 0.000 1.089 4 S CB 0.303 62.717 63.200 -1.309 0.000 0.968 4 S HN 0.623 nan 8.310 nan 0.000 0.480 5 M N 4.480 123.951 119.600 -0.216 0.000 2.618 5 M HA 0.459 4.939 4.480 -0.000 0.000 0.322 5 M C -0.995 175.232 176.300 -0.122 0.000 1.471 5 M CA 0.679 55.889 55.300 -0.149 0.000 1.450 5 M CB -0.534 32.013 32.600 -0.089 0.000 1.444 5 M HN 0.418 nan 8.290 nan 0.000 0.471 6 M N 3.649 123.165 119.600 -0.140 0.000 2.605 6 M HA 0.348 4.828 4.480 -0.000 0.000 0.281 6 M C -2.756 173.510 176.300 -0.056 0.000 1.166 6 M CA -1.148 54.112 55.300 -0.068 0.000 0.875 6 M CB 1.971 34.566 32.600 -0.009 0.000 1.732 6 M HN 0.178 nan 8.290 nan 0.000 0.504 7 P HA -0.034 nan 4.420 nan 0.000 0.232 7 P C 0.019 177.319 177.300 -0.001 0.000 1.606 7 P CA 0.659 63.718 63.100 -0.068 0.000 1.105 7 P CB -0.095 31.557 31.700 -0.081 0.000 1.919 8 Q N -0.762 119.054 119.800 0.027 0.000 2.741 8 Q HA -0.313 4.027 4.340 -0.000 0.000 0.459 8 Q C 1.467 177.630 176.000 0.271 0.000 0.679 8 Q CA 2.065 57.959 55.803 0.151 0.000 1.019 8 Q CB -2.200 26.616 28.738 0.131 0.000 1.489 8 Q HN 0.303 nan 8.270 nan 0.000 1.097 9 W N 0.437 121.752 121.300 0.025 0.000 2.362 9 W HA -0.340 4.320 4.660 -0.000 0.000 0.357 9 W C 2.829 179.333 176.519 -0.025 0.000 1.546 9 W CA 2.512 59.863 57.345 0.009 0.000 1.450 9 W CB -2.122 27.346 29.460 0.014 0.000 1.009 9 W HN 0.590 nan 8.180 nan 0.000 0.478 10 S N -1.299 114.554 115.700 0.255 0.000 2.372 10 S HA -0.345 4.125 4.470 -0.000 0.000 0.227 10 S C 1.880 176.399 174.600 -0.134 0.000 1.044 10 S CA 2.078 60.322 58.200 0.074 0.000 1.050 10 S CB -1.073 62.180 63.200 0.088 0.000 0.901 10 S HN 0.280 nan 8.310 nan 0.000 0.447 11 Y N 1.323 121.522 120.300 -0.168 0.000 2.145 11 Y HA 0.002 4.552 4.550 -0.000 0.000 0.286 11 Y C 2.110 177.782 175.900 -0.380 0.000 1.145 11 Y CA 1.984 59.924 58.100 -0.267 0.000 1.148 11 Y CB -0.257 38.129 38.460 -0.124 0.000 0.981 11 Y HN 0.269 nan 8.280 nan 0.000 0.507 12 M N -0.230 119.263 119.600 -0.178 0.000 2.618 12 M HA -0.008 4.472 4.480 -0.000 0.000 0.240 12 M C -0.015 176.204 176.300 -0.134 0.000 1.123 12 M CA 0.792 55.983 55.300 -0.182 0.000 1.060 12 M CB -1.284 31.343 32.600 0.044 0.000 1.535 12 M HN 0.429 nan 8.290 nan 0.000 0.507 13 H N -1.036 117.951 119.070 -0.139 0.000 2.936 13 H HA -0.145 4.411 4.556 -0.000 0.000 0.276 13 H C 1.163 176.442 175.328 -0.082 0.000 1.216 13 H CA 0.546 56.508 56.048 -0.144 0.000 1.132 13 H CB -1.513 28.134 29.762 -0.191 0.000 1.303 13 H HN 0.299 nan 8.280 nan 0.000 0.370 14 I N -0.143 120.420 120.570 -0.011 0.000 2.546 14 I HA -0.069 4.101 4.170 -0.000 0.000 0.255 14 I C 1.602 177.589 176.117 -0.217 0.000 1.163 14 I CA 1.513 62.704 61.300 -0.181 0.000 1.457 14 I CB -0.343 37.424 38.000 -0.388 0.000 1.092 14 I HN 0.349 nan 8.210 nan 0.000 0.434 15 S N -1.180 114.493 115.700 -0.045 0.000 2.705 15 S HA 0.799 5.269 4.470 -0.000 0.000 0.280 15 S C -0.009 174.660 174.600 0.116 0.000 1.174 15 S CA 0.025 58.243 58.200 0.029 0.000 0.823 15 S CB 2.292 65.571 63.200 0.132 0.000 1.162 15 S HN 0.545 nan 8.310 nan 0.000 0.487 16 G N 0.576 109.452 108.800 0.127 0.000 2.445 16 G HA2 -0.016 3.944 3.960 -0.000 0.000 0.212 16 G HA3 -0.016 3.944 3.960 -0.000 0.000 0.212 16 G C -1.038 173.955 174.900 0.155 0.000 1.217 16 G CA -0.261 44.924 45.100 0.141 0.000 1.002 16 G HN 0.975 nan 8.290 nan 0.000 0.574 17 Q N 0.350 120.274 119.800 0.206 0.000 2.249 17 Q HA 0.499 4.839 4.340 -0.000 0.000 0.226 17 Q C -0.513 175.652 176.000 0.275 0.000 0.983 17 Q CA -0.691 55.241 55.803 0.214 0.000 0.930 17 Q CB 0.853 29.727 28.738 0.225 0.000 1.193 17 Q HN 0.540 nan 8.270 nan 0.000 0.508 18 D N -0.350 120.139 120.400 0.147 0.000 2.354 18 D HA 0.148 4.788 4.640 -0.000 0.000 0.247 18 D C 0.604 176.826 176.300 -0.131 0.000 1.138 18 D CA 0.017 54.051 54.000 0.056 0.000 0.958 18 D CB 1.334 42.126 40.800 -0.014 0.000 1.144 18 D HN 0.675 nan 8.370 nan 0.000 0.458 19 A N 1.052 123.651 122.820 -0.368 0.000 1.948 19 A HA -0.222 4.098 4.320 -0.000 0.000 0.220 19 A C 2.008 179.209 177.584 -0.638 0.000 1.177 19 A CA 2.413 53.895 52.037 -0.924 0.000 0.636 19 A CB -0.710 17.947 19.000 -0.571 0.000 0.815 19 A HN 0.569 nan 8.150 nan 0.000 0.449 20 S N -0.705 114.796 115.700 -0.333 0.000 2.500 20 S HA -0.127 4.343 4.470 -0.000 0.000 0.239 20 S C 1.399 175.894 174.600 -0.176 0.000 0.989 20 S CA 1.416 59.480 58.200 -0.227 0.000 0.951 20 S CB -0.218 62.900 63.200 -0.136 0.000 0.759 20 S HN 0.737 nan 8.310 nan 0.000 0.523 21 E N 0.106 120.210 120.200 -0.160 0.000 2.207 21 E HA 0.088 4.438 4.350 -0.000 0.000 0.197 21 E C 1.518 178.110 176.600 -0.013 0.000 0.914 21 E CA 0.494 56.862 56.400 -0.053 0.000 0.914 21 E CB -0.266 29.446 29.700 0.019 0.000 0.893 21 E HN 0.769 nan 8.360 nan 0.000 0.479 22 Y N 1.274 121.572 120.300 -0.003 0.000 2.578 22 Y HA 0.293 4.843 4.550 -0.000 0.000 0.297 22 Y C 0.073 175.970 175.900 -0.005 0.000 1.176 22 Y CA 0.053 58.181 58.100 0.047 0.000 1.315 22 Y CB -0.241 38.326 38.460 0.178 0.000 1.031 22 Y HN -0.192 nan 8.280 nan 0.000 0.524 23 L N 1.807 122.768 121.223 -0.437 0.000 2.322 23 L HA 0.343 4.683 4.340 -0.000 0.000 0.281 23 L C 0.350 177.078 176.870 -0.237 0.000 1.014 23 L CA -1.217 53.352 54.840 -0.452 0.000 0.815 23 L CB 1.618 43.192 42.059 -0.808 0.000 1.247 23 L HN 0.238 nan 8.230 nan 0.000 0.421 24 S N 2.283 117.895 115.700 -0.146 0.000 2.817 24 S HA -0.052 4.418 4.470 -0.000 0.000 0.333 24 S C -1.846 172.691 174.600 -0.104 0.000 1.227 24 S CA -0.724 57.423 58.200 -0.089 0.000 1.027 24 S CB 0.137 63.297 63.200 -0.066 0.000 0.732 24 S HN 0.479 nan 8.310 nan 0.000 0.499 25 P HA -0.044 nan 4.420 nan 0.000 0.214 25 P C 1.883 179.157 177.300 -0.042 0.000 1.163 25 P CA 1.766 64.833 63.100 -0.055 0.000 0.889 25 P CB -0.528 31.154 31.700 -0.030 0.000 0.790 26 G N -0.040 108.744 108.800 -0.027 0.000 2.446 26 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 26 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 26 G C 1.495 176.401 174.900 0.010 0.000 1.168 26 G CA 0.728 45.825 45.100 -0.004 0.000 0.771 26 G HN 0.214 nan 8.290 nan 0.000 0.551 27 L N 0.878 122.079 121.223 -0.036 0.000 2.046 27 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 27 L C 2.990 179.853 176.870 -0.013 0.000 1.077 27 L CA 1.444 56.261 54.840 -0.039 0.000 0.747 27 L CB -0.628 41.349 42.059 -0.137 0.000 0.896 27 L HN 0.104 nan 8.230 nan 0.000 0.432 28 V N -0.401 119.457 119.914 -0.094 0.000 2.287 28 V HA -0.367 3.753 4.120 -0.000 0.000 0.248 28 V C 2.585 178.662 176.094 -0.029 0.000 1.053 28 V CA 2.117 64.354 62.300 -0.105 0.000 1.027 28 V CB -0.791 30.948 31.823 -0.139 0.000 0.646 28 V HN 0.650 nan 8.190 nan 0.000 0.447 29 Q N -0.754 119.048 119.800 0.003 0.000 2.084 29 Q HA -0.253 4.087 4.340 -0.000 0.000 0.202 29 Q C 2.130 178.161 176.000 0.052 0.000 0.978 29 Q CA 2.199 58.013 55.803 0.018 0.000 0.844 29 Q CB -0.233 28.522 28.738 0.028 0.000 0.898 29 Q HN 0.662 nan 8.270 nan 0.000 0.426 30 F N 0.373 120.304 119.950 -0.032 0.000 2.186 30 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 30 F C 1.933 177.723 175.800 -0.015 0.000 1.090 30 F CA 1.366 59.362 58.000 -0.006 0.000 1.307 30 F CB -0.331 38.677 39.000 0.014 0.000 1.019 30 F HN 0.132 nan 8.300 nan 0.000 0.489 31 A N 0.455 123.333 122.820 0.096 0.000 1.969 31 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 31 A C 2.337 179.842 177.584 -0.132 0.000 1.169 31 A CA 1.472 53.504 52.037 -0.007 0.000 0.635 31 A CB -0.785 18.248 19.000 0.055 0.000 0.810 31 A HN 0.489 nan 8.150 nan 0.000 0.445 32 R N -0.574 119.858 120.500 -0.113 0.000 2.115 32 R HA 0.029 4.369 4.340 -0.000 0.000 0.226 32 R C 2.084 178.287 176.300 -0.161 0.000 1.100 32 R CA 1.196 57.226 56.100 -0.117 0.000 0.980 32 R CB -0.246 30.007 30.300 -0.078 0.000 0.875 32 R HN 0.419 nan 8.270 nan 0.000 0.445 33 A N -0.083 122.612 122.820 -0.208 0.000 2.021 33 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 33 A C 1.831 179.186 177.584 -0.382 0.000 1.163 33 A CA 1.268 53.172 52.037 -0.221 0.000 0.676 33 A CB -0.246 18.656 19.000 -0.163 0.000 0.818 33 A HN 0.514 nan 8.150 nan 0.000 0.453 34 T N -2.278 111.917 114.554 -0.600 0.000 3.129 34 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 34 T C 0.969 175.276 174.700 -0.656 0.000 1.117 34 T CA 0.782 62.328 62.100 -0.923 0.000 1.034 34 T CB -0.011 68.296 68.868 -0.936 0.000 0.968 34 T HN 0.341 nan 8.240 nan 0.000 0.526 35 E N 2.421 122.388 120.200 -0.388 0.000 2.453 35 E HA -0.058 4.292 4.350 -0.000 0.000 0.207 35 E C 1.355 177.820 176.600 -0.226 0.000 1.212 35 E CA 0.907 57.161 56.400 -0.244 0.000 0.959 35 E CB -0.806 28.798 29.700 -0.161 0.000 0.957 35 E HN 0.821 nan 8.360 nan 0.000 0.540 36 T N -3.530 110.816 114.554 -0.346 0.000 3.330 36 T HA 0.028 4.378 4.350 -0.000 0.000 0.240 36 T C 1.661 176.313 174.700 -0.080 0.000 0.988 36 T CA 0.360 62.357 62.100 -0.172 0.000 1.253 36 T CB -0.726 68.116 68.868 -0.044 0.000 1.163 36 T HN 0.282 nan 8.240 nan 0.000 0.382 37 Y N 0.556 120.872 120.300 0.026 0.000 2.190 37 Y HA 0.602 5.152 4.550 -0.000 0.000 0.290 37 Y C 0.827 176.833 175.900 0.177 0.000 1.115 37 Y CA -0.920 57.232 58.100 0.086 0.000 1.107 37 Y CB -0.462 38.050 38.460 0.086 0.000 1.033 37 Y HN 0.161 nan 8.280 nan 0.000 0.502 38 F N 1.443 121.311 119.950 -0.137 0.000 2.420 38 F HA 0.541 5.068 4.527 -0.000 0.000 0.342 38 F C -0.168 175.558 175.800 -0.124 0.000 1.113 38 F CA -1.521 56.464 58.000 -0.025 0.000 1.059 38 F CB 1.634 40.721 39.000 0.144 0.000 1.128 38 F HN -0.087 nan 8.300 nan 0.000 0.475 39 S N 5.868 121.400 115.700 -0.280 0.000 2.530 39 S HA 0.511 4.981 4.470 -0.000 0.000 0.322 39 S C 0.278 174.773 174.600 -0.174 0.000 1.085 39 S CA -0.580 57.507 58.200 -0.188 0.000 1.096 39 S CB 0.476 63.577 63.200 -0.164 0.000 0.988 39 S HN 0.718 nan 8.310 nan 0.000 0.466 40 L N 4.423 125.648 121.223 0.003 0.000 2.693 40 L HA 0.251 4.591 4.340 -0.000 0.000 0.235 40 L C 1.751 178.728 176.870 0.177 0.000 1.127 40 L CA -0.168 54.748 54.840 0.125 0.000 0.914 40 L CB -0.169 42.106 42.059 0.359 0.000 1.193 40 L HN 0.512 nan 8.230 nan 0.000 0.502 41 N N 1.704 120.456 118.700 0.086 0.000 2.104 41 N HA -0.197 4.543 4.740 -0.000 0.000 0.190 41 N C 1.456 177.005 175.510 0.066 0.000 1.024 41 N CA 1.701 54.806 53.050 0.093 0.000 0.853 41 N CB -0.475 38.018 38.487 0.011 0.000 1.008 41 N HN 0.497 nan 8.380 nan 0.000 0.424 42 N N 1.362 120.050 118.700 -0.020 0.000 2.571 42 N HA -0.085 4.655 4.740 -0.000 0.000 0.189 42 N C 0.510 175.946 175.510 -0.124 0.000 1.154 42 N CA 0.538 53.554 53.050 -0.058 0.000 0.907 42 N CB 0.038 38.480 38.487 -0.075 0.000 0.977 42 N HN 0.157 nan 8.380 nan 0.000 0.449 43 K N -0.200 120.068 120.400 -0.220 0.000 2.367 43 K HA 0.146 4.466 4.320 -0.000 0.000 0.194 43 K C -0.499 175.614 176.600 -0.810 0.000 1.027 43 K CA 0.102 56.053 56.287 -0.559 0.000 1.075 43 K CB 0.268 32.268 32.500 -0.835 0.000 0.845 43 K HN 0.173 nan 8.250 nan 0.000 0.529 44 F N 1.108 121.049 119.950 -0.016 0.000 2.536 44 F HA 0.355 4.882 4.527 -0.000 0.000 0.322 44 F C 0.394 176.188 175.800 -0.011 0.000 1.144 44 F CA -1.435 56.568 58.000 0.005 0.000 0.924 44 F CB 1.271 40.241 39.000 -0.051 0.000 1.181 44 F HN -0.290 nan 8.300 nan 0.000 0.438 45 R N 2.445 123.040 120.500 0.158 0.000 2.590 45 R HA 0.260 4.600 4.340 -0.000 0.000 0.274 45 R C -0.951 175.396 176.300 0.080 0.000 1.061 45 R CA 0.069 56.220 56.100 0.084 0.000 1.081 45 R CB 0.122 30.466 30.300 0.073 0.000 0.984 45 R HN 0.593 nan 8.270 nan 0.000 0.448 46 N N 6.267 124.997 118.700 0.050 0.000 2.524 46 N HA 0.305 5.045 4.740 -0.000 0.000 0.261 46 N C -2.549 172.981 175.510 0.033 0.000 0.998 46 N CA -1.328 51.748 53.050 0.043 0.000 0.915 46 N CB 1.918 40.412 38.487 0.012 0.000 1.187 46 N HN 0.536 nan 8.380 nan 0.000 0.507 47 P HA 0.122 nan 4.420 nan 0.000 0.272 47 P C -0.546 176.753 177.300 -0.001 0.000 1.223 47 P CA -0.093 63.016 63.100 0.015 0.000 0.784 47 P CB 0.772 32.491 31.700 0.031 0.000 0.923 48 T N -1.311 113.225 114.554 -0.030 0.000 2.879 48 T HA 0.541 4.891 4.350 -0.000 0.000 0.290 48 T C -0.525 174.146 174.700 -0.049 0.000 0.993 48 T CA -0.696 61.388 62.100 -0.028 0.000 0.975 48 T CB 0.849 69.701 68.868 -0.027 0.000 0.981 48 T HN 0.158 nan 8.240 nan 0.000 0.439 49 V N 2.108 122.004 119.914 -0.031 0.000 2.540 49 V HA 0.810 4.930 4.120 -0.000 0.000 0.302 49 V C 0.426 176.513 176.094 -0.012 0.000 1.035 49 V CA -1.129 61.150 62.300 -0.035 0.000 0.873 49 V CB 1.591 33.406 31.823 -0.013 0.000 0.992 49 V HN 1.274 nan 8.190 nan 0.000 0.428 50 A N 6.381 129.194 122.820 -0.012 0.000 2.327 50 A HA 0.826 5.146 4.320 -0.000 0.000 0.283 50 A C -1.713 175.880 177.584 0.015 0.000 1.127 50 A CA -1.243 50.796 52.037 0.002 0.000 0.810 50 A CB -0.031 18.971 19.000 0.003 0.000 1.066 50 A HN 0.747 nan 8.150 nan 0.000 0.492 51 P HA 0.082 nan 4.420 nan 0.000 0.270 51 P C 0.235 177.544 177.300 0.015 0.000 1.221 51 P CA 0.522 63.608 63.100 -0.025 0.000 0.788 51 P CB 0.349 31.995 31.700 -0.091 0.000 0.904 52 T N -3.306 111.280 114.554 0.054 0.000 3.460 52 T HA 0.242 4.592 4.350 -0.000 0.000 0.304 52 T C 0.077 174.910 174.700 0.221 0.000 0.991 52 T CA -0.507 61.673 62.100 0.134 0.000 0.975 52 T CB -0.856 68.113 68.868 0.170 0.000 1.196 52 T HN 0.887 nan 8.240 nan 0.000 0.490 53 H N -1.554 117.542 119.070 0.043 0.000 3.093 53 H HA 0.307 4.863 4.556 -0.000 0.000 0.312 53 H C -1.639 173.717 175.328 0.046 0.000 1.213 53 H CA -0.534 55.538 56.048 0.039 0.000 1.366 53 H CB 0.131 29.915 29.762 0.035 0.000 1.998 53 H HN 0.017 nan 8.280 nan 0.000 0.522 54 D N 1.273 121.720 120.400 0.079 0.000 2.775 54 D HA -0.107 4.533 4.640 -0.000 0.000 0.235 54 D C 0.528 176.839 176.300 0.020 0.000 1.120 54 D CA 1.184 55.209 54.000 0.042 0.000 0.708 54 D CB -1.517 39.301 40.800 0.030 0.000 1.084 54 D HN 0.411 nan 8.370 nan 0.000 0.434 55 V N -1.926 118.023 119.914 0.058 0.000 3.837 55 V HA 0.129 4.249 4.120 -0.000 0.000 0.182 55 V C 0.910 177.119 176.094 0.193 0.000 1.356 55 V CA 1.067 63.444 62.300 0.130 0.000 1.260 55 V CB 0.891 32.771 31.823 0.094 0.000 1.287 55 V HN 0.132 nan 8.190 nan 0.000 0.572 56 T N 0.807 115.409 114.554 0.079 0.000 2.940 56 T HA 0.493 4.843 4.350 -0.000 0.000 0.288 56 T C -0.299 174.379 174.700 -0.037 0.000 1.033 56 T CA -0.016 62.083 62.100 -0.002 0.000 1.033 56 T CB 2.012 70.840 68.868 -0.066 0.000 1.079 56 T HN 0.360 nan 8.240 nan 0.000 0.496 57 T N 0.368 114.862 114.554 -0.100 0.000 2.922 57 T HA 0.226 4.576 4.350 -0.000 0.000 0.285 57 T C 0.210 174.832 174.700 -0.131 0.000 1.005 57 T CA -0.651 61.334 62.100 -0.192 0.000 1.061 57 T CB 0.424 69.062 68.868 -0.383 0.000 1.007 57 T HN 0.449 nan 8.240 nan 0.000 0.502 58 D N 2.171 122.498 120.400 -0.121 0.000 2.366 58 D HA 0.146 4.786 4.640 -0.000 0.000 0.205 58 D C 0.823 177.091 176.300 -0.053 0.000 1.022 58 D CA 0.330 54.292 54.000 -0.063 0.000 0.868 58 D CB 0.249 41.029 40.800 -0.034 0.000 0.953 58 D HN 0.442 nan 8.370 nan 0.000 0.514 59 R N 0.654 121.109 120.500 -0.075 0.000 2.560 59 R HA 0.305 4.645 4.340 -0.000 0.000 0.270 59 R C 0.474 176.769 176.300 -0.008 0.000 1.074 59 R CA -0.316 55.773 56.100 -0.018 0.000 1.140 59 R CB 0.861 31.185 30.300 0.040 0.000 1.073 59 R HN -0.097 nan 8.270 nan 0.000 0.527 60 S N 1.122 116.829 115.700 0.011 0.000 2.552 60 S HA -0.038 4.432 4.470 -0.000 0.000 0.289 60 S C -0.389 174.221 174.600 0.016 0.000 1.304 60 S CA 0.247 58.452 58.200 0.007 0.000 1.063 60 S CB 0.351 63.555 63.200 0.007 0.000 0.848 60 S HN 0.513 nan 8.310 nan 0.000 0.499 61 Q N 2.863 122.664 119.800 0.001 0.000 2.403 61 Q HA 0.280 4.620 4.340 -0.000 0.000 0.267 61 Q C -1.362 174.628 176.000 -0.017 0.000 0.991 61 Q CA -0.757 55.044 55.803 -0.003 0.000 0.906 61 Q CB 1.143 29.894 28.738 0.023 0.000 1.422 61 Q HN 0.700 nan 8.270 nan 0.000 0.400 62 R N 3.216 123.694 120.500 -0.036 0.000 2.390 62 R HA 0.259 4.599 4.340 -0.000 0.000 0.291 62 R C 0.669 176.981 176.300 0.019 0.000 1.070 62 R CA 0.061 56.150 56.100 -0.019 0.000 1.014 62 R CB 0.785 31.060 30.300 -0.041 0.000 1.007 62 R HN 0.778 nan 8.270 nan 0.000 0.466 63 L N 1.335 122.594 121.223 0.061 0.000 2.162 63 L HA 0.007 4.347 4.340 -0.000 0.000 0.205 63 L C 0.334 177.333 176.870 0.216 0.000 1.086 63 L CA 1.208 56.121 54.840 0.121 0.000 0.778 63 L CB 0.317 42.422 42.059 0.076 0.000 0.928 63 L HN 0.543 nan 8.230 nan 0.000 0.446 64 T N 0.646 115.305 114.554 0.175 0.000 2.841 64 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 64 T C -0.498 174.287 174.700 0.143 0.000 0.991 64 T CA -0.395 61.837 62.100 0.220 0.000 0.966 64 T CB 1.955 70.954 68.868 0.218 0.000 0.962 64 T HN -0.106 nan 8.240 nan 0.000 0.438 65 L N 2.738 124.045 121.223 0.140 0.000 2.331 65 L HA 0.671 5.011 4.340 -0.000 0.000 0.275 65 L C 0.283 176.917 176.870 -0.392 0.000 1.022 65 L CA -1.041 53.708 54.840 -0.152 0.000 0.812 65 L CB 1.863 43.807 42.059 -0.191 0.000 1.257 65 L HN 0.379 nan 8.230 nan 0.000 0.435 66 R N 1.718 121.828 120.500 -0.649 0.000 2.480 66 R HA 0.573 4.913 4.340 -0.000 0.000 0.306 66 R C -1.720 174.132 176.300 -0.746 0.000 0.958 66 R CA -0.458 55.164 56.100 -0.798 0.000 0.861 66 R CB 1.226 31.119 30.300 -0.678 0.000 1.171 66 R HN 0.333 nan 8.270 nan 0.000 0.445 67 F N 4.500 124.337 119.950 -0.188 0.000 2.469 67 F HA 0.480 5.007 4.527 -0.000 0.000 0.332 67 F C 0.281 176.191 175.800 0.184 0.000 1.103 67 F CA -0.990 57.032 58.000 0.038 0.000 0.979 67 F CB 1.371 40.444 39.000 0.122 0.000 1.137 67 F HN 0.151 nan 8.300 nan 0.000 0.463 68 I N 3.220 124.016 120.570 0.376 0.000 2.498 68 I HA 0.345 4.515 4.170 -0.000 0.000 0.301 68 I C -2.279 173.994 176.117 0.260 0.000 0.984 68 I CA -2.980 58.496 61.300 0.293 0.000 1.204 68 I CB 1.300 39.379 38.000 0.131 0.000 1.362 68 I HN 0.265 nan 8.210 nan 0.000 0.471 69 P HA 0.024 nan 4.420 nan 0.000 0.268 69 P C 0.748 177.934 177.300 -0.190 0.000 1.204 69 P CA 0.158 62.992 63.100 -0.444 0.000 0.768 69 P CB 0.973 32.413 31.700 -0.433 0.000 0.842 70 V N 1.737 121.538 119.914 -0.189 0.000 3.052 70 V HA 0.045 4.165 4.120 -0.000 0.000 0.254 70 V C 0.143 176.170 176.094 -0.111 0.000 1.100 70 V CA 1.440 63.691 62.300 -0.082 0.000 1.112 70 V CB -0.389 31.417 31.823 -0.029 0.000 0.738 70 V HN 0.608 nan 8.190 nan 0.000 0.469 71 D N -0.717 119.575 120.400 -0.180 0.000 2.886 71 D HA 0.444 5.084 4.640 -0.000 0.000 0.216 71 D C -0.783 175.377 176.300 -0.233 0.000 1.256 71 D CA -0.441 53.458 54.000 -0.169 0.000 0.844 71 D CB 1.410 42.129 40.800 -0.136 0.000 1.669 71 D HN 0.182 nan 8.370 nan 0.000 0.513 72 R N 2.203 122.571 120.500 -0.221 0.000 2.686 72 R HA 0.575 4.915 4.340 -0.000 0.000 0.283 72 R C -0.873 175.232 176.300 -0.325 0.000 0.978 72 R CA -0.872 55.044 56.100 -0.307 0.000 0.897 72 R CB 2.224 32.370 30.300 -0.256 0.000 1.192 72 R HN 0.339 nan 8.270 nan 0.000 0.457 73 E N 1.622 121.547 120.200 -0.458 0.000 2.580 73 E HA 0.062 4.412 4.350 -0.000 0.000 0.248 73 E C -1.619 174.707 176.600 -0.457 0.000 1.018 73 E CA -0.481 55.701 56.400 -0.362 0.000 0.775 73 E CB 1.499 31.045 29.700 -0.256 0.000 1.378 73 E HN 0.349 nan 8.360 nan 0.000 0.401 74 D N 2.203 122.374 120.400 -0.381 0.000 2.336 74 D HA 0.126 4.766 4.640 -0.000 0.000 0.249 74 D C -0.494 175.770 176.300 -0.059 0.000 1.213 74 D CA 0.475 54.394 54.000 -0.135 0.000 0.870 74 D CB 0.831 41.731 40.800 0.166 0.000 1.076 74 D HN 0.102 nan 8.370 nan 0.000 0.483 75 T N 1.988 116.507 114.554 -0.058 0.000 2.919 75 T HA 0.545 4.895 4.350 -0.000 0.000 0.282 75 T C 1.449 176.065 174.700 -0.139 0.000 1.020 75 T CA -0.066 61.952 62.100 -0.138 0.000 0.994 75 T CB 1.407 70.128 68.868 -0.245 0.000 1.180 75 T HN 0.334 nan 8.240 nan 0.000 0.566 76 A N 0.527 123.204 122.820 -0.237 0.000 1.896 76 A HA -0.165 4.155 4.320 -0.000 0.000 0.220 76 A C 1.499 179.013 177.584 -0.117 0.000 1.206 76 A CA 2.478 54.399 52.037 -0.193 0.000 0.647 76 A CB -0.948 17.921 19.000 -0.219 0.000 0.828 76 A HN 0.956 nan 8.150 nan 0.000 0.455 77 Y N -2.108 118.191 120.300 -0.001 0.000 2.563 77 Y HA 0.522 5.072 4.550 -0.000 0.000 0.250 77 Y C 0.293 176.336 175.900 0.238 0.000 1.126 77 Y CA -0.554 57.586 58.100 0.068 0.000 1.231 77 Y CB -0.546 37.891 38.460 -0.038 0.000 1.288 77 Y HN 0.361 nan 8.280 nan 0.000 0.537 78 S N -0.882 114.905 115.700 0.145 0.000 2.618 78 S HA 0.639 5.109 4.470 -0.000 0.000 0.277 78 S C -1.935 172.858 174.600 0.322 0.000 1.138 78 S CA -0.706 57.718 58.200 0.374 0.000 0.844 78 S CB 2.293 65.721 63.200 0.380 0.000 1.127 78 S HN 0.243 nan 8.310 nan 0.000 0.474 79 Y N 0.660 121.134 120.300 0.290 0.000 2.391 79 Y HA 0.679 5.229 4.550 -0.000 0.000 0.341 79 Y C -0.565 175.447 175.900 0.188 0.000 0.965 79 Y CA -0.522 57.707 58.100 0.215 0.000 1.067 79 Y CB 1.788 40.410 38.460 0.269 0.000 1.199 79 Y HN 0.960 nan 8.280 nan 0.000 0.450 80 K N 4.139 124.420 120.400 -0.198 0.000 2.376 80 K HA 0.888 5.208 4.320 -0.000 0.000 0.257 80 K C -1.821 174.646 176.600 -0.222 0.000 0.939 80 K CA -0.681 55.537 56.287 -0.116 0.000 0.809 80 K CB 1.239 33.638 32.500 -0.169 0.000 1.121 80 K HN 0.696 nan 8.250 nan 0.000 0.425 81 A N 4.284 127.065 122.820 -0.065 0.000 2.374 81 A HA 0.577 4.897 4.320 -0.000 0.000 0.305 81 A C -1.235 176.198 177.584 -0.250 0.000 1.053 81 A CA -0.805 51.106 52.037 -0.210 0.000 0.726 81 A CB 1.263 20.193 19.000 -0.117 0.000 1.229 81 A HN 0.802 nan 8.150 nan 0.000 0.431 82 R N 1.648 121.898 120.500 -0.416 0.000 2.562 82 R HA 0.738 5.078 4.340 -0.000 0.000 0.298 82 R C -1.735 174.310 176.300 -0.425 0.000 0.961 82 R CA -0.335 55.618 56.100 -0.245 0.000 0.881 82 R CB 0.984 31.209 30.300 -0.125 0.000 1.159 82 R HN 0.619 nan 8.270 nan 0.000 0.450 83 F N -0.044 119.972 119.950 0.110 0.000 2.593 83 F HA 0.384 4.911 4.527 -0.000 0.000 0.320 83 F C 0.210 176.066 175.800 0.094 0.000 1.060 83 F CA -0.835 57.236 58.000 0.120 0.000 0.940 83 F CB 2.471 41.567 39.000 0.159 0.000 1.268 83 F HN 0.244 nan 8.300 nan 0.000 0.475 84 T N 3.377 118.080 114.554 0.248 0.000 3.042 84 T HA 0.294 4.644 4.350 -0.000 0.000 0.356 84 T C -0.765 173.907 174.700 -0.046 0.000 1.233 84 T CA -0.321 61.855 62.100 0.127 0.000 1.038 84 T CB 0.083 69.020 68.868 0.115 0.000 1.089 84 T HN 0.352 nan 8.240 nan 0.000 0.531 85 L N 4.413 125.577 121.223 -0.098 0.000 2.385 85 L HA 0.602 4.942 4.340 -0.000 0.000 0.281 85 L C 0.096 176.912 176.870 -0.090 0.000 1.106 85 L CA -0.332 54.261 54.840 -0.411 0.000 0.856 85 L CB -0.649 41.290 42.059 -0.199 0.000 1.186 85 L HN 0.581 nan 8.230 nan 0.000 0.453 86 A N 5.331 128.103 122.820 -0.079 0.000 2.271 86 A HA 0.635 4.955 4.320 -0.000 0.000 0.317 86 A C -0.538 177.233 177.584 0.311 0.000 1.245 86 A CA -0.579 51.567 52.037 0.182 0.000 0.857 86 A CB 0.975 20.106 19.000 0.218 0.000 1.175 86 A HN 0.503 nan 8.150 nan 0.000 0.512 87 V N 4.090 124.190 119.914 0.310 0.000 2.218 87 V HA 0.335 4.455 4.120 -0.000 0.000 0.261 87 V C 1.331 177.541 176.094 0.193 0.000 1.142 87 V CA -0.036 62.481 62.300 0.362 0.000 0.965 87 V CB 0.018 32.090 31.823 0.415 0.000 1.190 87 V HN 1.148 nan 8.190 nan 0.000 0.478 88 G N 3.167 112.015 108.800 0.080 0.000 3.026 88 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.232 88 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.232 88 G C 0.116 175.025 174.900 0.015 0.000 1.241 88 G CA -0.216 44.888 45.100 0.006 0.000 0.858 88 G HN 0.613 nan 8.290 nan 0.000 0.592 89 D N 0.174 120.561 120.400 -0.021 0.000 2.352 89 D HA -0.056 4.584 4.640 -0.000 0.000 0.238 89 D C 0.927 177.187 176.300 -0.067 0.000 1.286 89 D CA 0.103 54.085 54.000 -0.030 0.000 0.923 89 D CB 0.232 40.999 40.800 -0.055 0.000 1.146 89 D HN 0.473 nan 8.370 nan 0.000 0.471 90 N N 0.168 118.836 118.700 -0.053 0.000 2.666 90 N HA -0.229 4.511 4.740 -0.000 0.000 0.248 90 N C -0.612 174.946 175.510 0.080 0.000 1.118 90 N CA 1.131 54.158 53.050 -0.037 0.000 0.722 90 N CB -0.370 37.932 38.487 -0.308 0.000 1.050 90 N HN 0.416 nan 8.380 nan 0.000 0.550 91 R N -0.883 119.682 120.500 0.108 0.000 2.808 91 R HA 0.711 5.051 4.340 -0.000 0.000 0.272 91 R C -0.401 176.043 176.300 0.240 0.000 0.995 91 R CA -0.888 55.334 56.100 0.203 0.000 0.917 91 R CB 2.257 32.656 30.300 0.165 0.000 1.217 91 R HN -0.018 nan 8.270 nan 0.000 0.471 92 V N -0.589 119.505 119.914 0.300 0.000 2.925 92 V HA 0.718 4.838 4.120 -0.000 0.000 0.311 92 V C -1.436 174.777 176.094 0.199 0.000 1.104 92 V CA -1.059 61.367 62.300 0.210 0.000 0.954 92 V CB 2.001 33.898 31.823 0.124 0.000 1.022 92 V HN 0.580 nan 8.190 nan 0.000 0.427 93 L N 2.387 123.631 121.223 0.035 0.000 2.381 93 L HA 0.687 5.027 4.340 -0.000 0.000 0.274 93 L C -0.698 176.070 176.870 -0.170 0.000 0.988 93 L CA 0.051 54.767 54.840 -0.207 0.000 0.824 93 L CB 1.644 43.478 42.059 -0.374 0.000 1.263 93 L HN 0.940 nan 8.230 nan 0.000 0.410 94 D N 5.318 125.623 120.400 -0.159 0.000 2.347 94 D HA 0.116 4.756 4.640 -0.000 0.000 0.235 94 D C 1.158 177.365 176.300 -0.155 0.000 1.149 94 D CA -0.352 53.583 54.000 -0.109 0.000 0.850 94 D CB 1.151 41.923 40.800 -0.047 0.000 1.061 94 D HN 0.576 nan 8.370 nan 0.000 0.487 95 M N 2.912 122.401 119.600 -0.184 0.000 2.260 95 M HA -0.173 4.307 4.480 -0.000 0.000 0.261 95 M C 1.888 178.094 176.300 -0.158 0.000 1.066 95 M CA 0.787 55.953 55.300 -0.222 0.000 1.082 95 M CB -1.180 31.257 32.600 -0.271 0.000 1.388 95 M HN 0.512 nan 8.290 nan 0.000 0.419 96 A N -0.117 122.643 122.820 -0.100 0.000 2.178 96 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 96 A C 2.109 179.715 177.584 0.038 0.000 1.157 96 A CA 1.701 53.714 52.037 -0.039 0.000 0.689 96 A CB -0.684 18.314 19.000 -0.003 0.000 0.787 96 A HN 0.604 nan 8.150 nan 0.000 0.465 97 S N -0.617 115.093 115.700 0.017 0.000 2.597 97 S HA 0.180 4.650 4.470 -0.000 0.000 0.224 97 S C 0.616 175.262 174.600 0.076 0.000 0.955 97 S CA 0.309 58.568 58.200 0.098 0.000 0.933 97 S CB -0.881 62.351 63.200 0.053 0.000 0.788 97 S HN 0.599 nan 8.310 nan 0.000 0.488 98 T N -0.151 114.397 114.554 -0.010 0.000 2.945 98 T HA 0.751 5.101 4.350 -0.000 0.000 0.286 98 T C -0.746 173.940 174.700 -0.023 0.000 1.025 98 T CA -0.760 61.265 62.100 -0.125 0.000 1.039 98 T CB 1.198 69.934 68.868 -0.221 0.000 1.068 98 T HN 0.697 nan 8.240 nan 0.000 0.497 99 Y N -1.612 118.616 120.300 -0.120 0.000 2.662 99 Y HA 0.631 5.181 4.550 -0.000 0.000 0.334 99 Y C -2.067 173.717 175.900 -0.194 0.000 1.185 99 Y CA -2.600 55.407 58.100 -0.155 0.000 1.074 99 Y CB 0.466 39.049 38.460 0.206 0.000 1.330 99 Y HN 0.646 nan 8.280 nan 0.000 0.458 100 F N 1.789 121.925 119.950 0.310 0.000 2.411 100 F HA 0.340 4.867 4.527 -0.000 0.000 0.355 100 F C 0.074 176.040 175.800 0.277 0.000 1.117 100 F CA -0.240 57.868 58.000 0.180 0.000 1.139 100 F CB 1.105 40.179 39.000 0.123 0.000 1.120 100 F HN 0.593 nan 8.300 nan 0.000 0.493 101 D N 4.805 125.499 120.400 0.490 0.000 2.317 101 D HA 0.475 5.115 4.640 -0.000 0.000 0.234 101 D C -0.764 175.689 176.300 0.254 0.000 1.112 101 D CA -0.059 54.201 54.000 0.434 0.000 0.840 101 D CB 0.702 41.861 40.800 0.599 0.000 1.078 101 D HN 0.310 nan 8.370 nan 0.000 0.486 102 I N 3.750 124.417 120.570 0.162 0.000 2.465 102 I HA 0.474 4.644 4.170 -0.000 0.000 0.291 102 I C -0.007 176.146 176.117 0.061 0.000 1.014 102 I CA -0.921 60.393 61.300 0.024 0.000 1.093 102 I CB 1.828 39.746 38.000 -0.136 0.000 1.267 102 I HN 0.176 nan 8.210 nan 0.000 0.431 103 R N 3.923 124.352 120.500 -0.118 0.000 2.561 103 R HA 0.831 5.171 4.340 -0.000 0.000 0.297 103 R C -0.324 175.705 176.300 -0.453 0.000 0.969 103 R CA -0.747 55.164 56.100 -0.315 0.000 0.879 103 R CB 2.430 32.537 30.300 -0.322 0.000 1.178 103 R HN 0.881 nan 8.270 nan 0.000 0.445 104 G N 0.705 108.916 108.800 -0.982 0.000 2.634 104 G HA2 0.486 4.446 3.960 -0.000 0.000 0.309 104 G HA3 0.486 4.446 3.960 -0.000 0.000 0.309 104 G C -1.704 172.697 174.900 -0.832 0.000 1.299 104 G CA -0.422 44.203 45.100 -0.792 0.000 0.798 104 G HN 0.290 nan 8.290 nan 0.000 0.490 105 V N 0.201 119.946 119.914 -0.282 0.000 2.604 105 V HA 0.754 4.874 4.120 -0.000 0.000 0.305 105 V C -0.863 175.382 176.094 0.251 0.000 1.043 105 V CA -0.683 61.608 62.300 -0.016 0.000 0.888 105 V CB 1.569 33.379 31.823 -0.021 0.000 0.995 105 V HN 0.860 nan 8.190 nan 0.000 0.429 106 L N 3.209 124.613 121.223 0.301 0.000 2.386 106 L HA 0.807 5.147 4.340 -0.000 0.000 0.271 106 L C -1.214 175.697 176.870 0.067 0.000 0.993 106 L CA 0.023 54.972 54.840 0.181 0.000 0.819 106 L CB 2.092 44.230 42.059 0.132 0.000 1.294 106 L HN 0.700 nan 8.230 nan 0.000 0.414 107 D N 2.964 123.363 120.400 -0.001 0.000 2.462 107 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 107 D C 0.451 176.654 176.300 -0.161 0.000 1.122 107 D CA -0.366 53.615 54.000 -0.030 0.000 0.864 107 D CB 1.463 42.314 40.800 0.085 0.000 1.098 107 D HN 0.612 nan 8.370 nan 0.000 0.541 108 R N 1.944 122.269 120.500 -0.292 0.000 2.316 108 R HA 0.301 4.641 4.340 -0.000 0.000 0.202 108 R C 1.327 177.499 176.300 -0.213 0.000 1.029 108 R CA 0.622 56.518 56.100 -0.340 0.000 1.018 108 R CB -0.128 29.776 30.300 -0.660 0.000 0.888 108 R HN 0.657 nan 8.270 nan 0.000 0.471 109 G N 0.400 109.087 108.800 -0.188 0.000 2.796 109 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.571 109 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.571 109 G C -2.053 172.763 174.900 -0.140 0.000 1.370 109 G CA -0.401 44.619 45.100 -0.134 0.000 0.856 109 G HN 0.060 nan 8.290 nan 0.000 0.538 110 P HA 0.019 nan 4.420 nan 0.000 0.241 110 P C 1.504 178.655 177.300 -0.248 0.000 1.191 110 P CA 1.965 64.981 63.100 -0.140 0.000 0.771 110 P CB 0.006 31.655 31.700 -0.084 0.000 0.929 111 T N -4.580 109.782 114.554 -0.319 0.000 3.129 111 T HA 0.062 4.412 4.350 -0.000 0.000 0.251 111 T C 0.308 174.630 174.700 -0.629 0.000 1.117 111 T CA -0.523 61.151 62.100 -0.710 0.000 1.034 111 T CB -0.963 67.526 68.868 -0.631 0.000 0.968 111 T HN -0.135 nan 8.240 nan 0.000 0.526 112 F N 2.804 122.476 119.950 -0.463 0.000 2.472 112 F HA 0.508 5.035 4.527 -0.000 0.000 0.364 112 F C 0.241 175.798 175.800 -0.405 0.000 1.090 112 F CA -1.275 56.499 58.000 -0.376 0.000 1.188 112 F CB 0.520 39.353 39.000 -0.278 0.000 1.105 112 F HN 0.023 nan 8.300 nan 0.000 0.536 113 K N 9.201 128.984 120.400 -1.028 0.000 2.723 113 K HA 0.328 4.648 4.320 -0.000 0.000 0.229 113 K C -2.621 173.228 176.600 -1.251 0.000 1.022 113 K CA -1.697 53.926 56.287 -1.107 0.000 1.045 113 K CB 1.349 33.370 32.500 -0.798 0.000 1.227 113 K HN 0.299 nan 8.250 nan 0.000 0.516 114 P HA 0.001 nan 4.420 nan 0.000 0.269 114 P C -1.426 175.658 177.300 -0.360 0.000 1.601 114 P CA 0.199 62.774 63.100 -0.875 0.000 0.831 114 P CB -0.704 30.793 31.700 -0.339 0.000 1.688 115 Y N -5.015 114.980 120.300 -0.507 0.000 2.717 115 Y HA 0.496 5.046 4.550 -0.000 0.000 0.345 115 Y C -1.180 174.604 175.900 -0.193 0.000 1.187 115 Y CA -1.338 56.636 58.100 -0.210 0.000 1.128 115 Y CB -0.209 38.171 38.460 -0.134 0.000 1.360 115 Y HN -0.320 nan 8.280 nan 0.000 0.467 116 S N 1.233 117.008 115.700 0.125 0.000 2.617 116 S HA 0.807 5.277 4.470 -0.000 0.000 0.283 116 S C 0.419 175.124 174.600 0.175 0.000 1.189 116 S CA 0.116 58.339 58.200 0.039 0.000 1.036 116 S CB 1.006 64.217 63.200 0.019 0.000 1.014 116 S HN 1.871 nan 8.310 nan 0.000 0.522 117 G N 1.118 109.991 108.800 0.123 0.000 2.568 117 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.222 117 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.222 117 G C -0.267 174.733 174.900 0.167 0.000 1.321 117 G CA -0.128 45.072 45.100 0.167 0.000 0.893 117 G HN 0.967 nan 8.290 nan 0.000 0.569 118 T N -1.397 113.185 114.554 0.047 0.000 2.916 118 T HA 0.759 5.109 4.350 -0.000 0.000 0.292 118 T C 1.084 175.632 174.700 -0.253 0.000 1.055 118 T CA 0.755 62.803 62.100 -0.086 0.000 1.009 118 T CB 1.533 70.181 68.868 -0.365 0.000 1.118 118 T HN 2.066 nan 8.240 nan 0.000 0.497 119 A N 2.107 124.637 122.820 -0.482 0.000 2.238 119 A HA 0.381 4.701 4.320 -0.000 0.000 0.210 119 A C -0.416 176.648 177.584 -0.866 0.000 1.179 119 A CA 0.232 51.790 52.037 -0.798 0.000 0.827 119 A CB -0.188 18.152 19.000 -1.100 0.000 0.856 119 A HN 0.751 nan 8.150 nan 0.000 0.488 120 Y N 0.072 120.287 120.300 -0.142 0.000 2.326 120 Y HA 0.365 4.915 4.550 -0.000 0.000 0.331 120 Y C 0.092 175.910 175.900 -0.137 0.000 0.962 120 Y CA -1.185 56.859 58.100 -0.094 0.000 1.167 120 Y CB 0.816 39.263 38.460 -0.023 0.000 1.148 120 Y HN 0.248 nan 8.280 nan 0.000 0.463 121 N N 1.095 119.839 118.700 0.074 0.000 2.725 121 N HA -0.233 4.507 4.740 -0.000 0.000 0.251 121 N C 0.861 176.409 175.510 0.063 0.000 1.031 121 N CA 0.772 53.867 53.050 0.075 0.000 0.720 121 N CB -0.739 37.816 38.487 0.113 0.000 0.930 121 N HN 0.926 nan 8.380 nan 0.000 0.543 122 A N -0.235 122.594 122.820 0.016 0.000 2.019 122 A HA -0.031 4.289 4.320 -0.000 0.000 0.219 122 A C 2.162 179.909 177.584 0.273 0.000 1.164 122 A CA 0.955 53.066 52.037 0.124 0.000 0.644 122 A CB -0.076 18.955 19.000 0.051 0.000 0.805 122 A HN 0.438 nan 8.150 nan 0.000 0.449 123 L N -0.751 120.574 121.223 0.170 0.000 2.554 123 L HA 0.146 4.486 4.340 -0.000 0.000 0.226 123 L C 1.344 178.302 176.870 0.146 0.000 1.137 123 L CA -0.020 54.903 54.840 0.139 0.000 0.863 123 L CB -0.413 41.703 42.059 0.093 0.000 0.985 123 L HN 0.367 nan 8.230 nan 0.000 0.451 124 A N 0.797 123.737 122.820 0.201 0.000 2.401 124 A HA 0.397 4.717 4.320 -0.000 0.000 0.259 124 A C -2.169 175.495 177.584 0.135 0.000 1.103 124 A CA -1.150 50.990 52.037 0.173 0.000 0.789 124 A CB -0.350 18.770 19.000 0.199 0.000 1.035 124 A HN -0.052 nan 8.150 nan 0.000 0.491 125 P HA 0.010 nan 4.420 nan 0.000 0.262 125 P C 0.290 177.568 177.300 -0.037 0.000 1.182 125 P CA 0.260 63.361 63.100 0.002 0.000 0.761 125 P CB 0.407 32.120 31.700 0.021 0.000 0.795 126 K N 1.988 122.282 120.400 -0.176 0.000 2.589 126 K HA -0.071 4.249 4.320 -0.000 0.000 0.195 126 K C 1.625 178.169 176.600 -0.094 0.000 1.040 126 K CA 1.261 57.391 56.287 -0.262 0.000 0.950 126 K CB -0.340 31.903 32.500 -0.429 0.000 0.781 126 K HN 0.618 nan 8.250 nan 0.000 0.486 127 G N 0.205 108.980 108.800 -0.042 0.000 2.944 127 G HA2 0.197 4.157 3.960 -0.000 0.000 0.223 127 G HA3 0.197 4.157 3.960 -0.000 0.000 0.223 127 G C 0.131 175.044 174.900 0.021 0.000 1.071 127 G CA -0.114 44.980 45.100 -0.011 0.000 0.806 127 G HN 0.236 nan 8.290 nan 0.000 0.538 128 A N 2.090 124.938 122.820 0.047 0.000 2.520 128 A HA 0.570 4.890 4.320 -0.000 0.000 0.245 128 A C -1.941 175.706 177.584 0.105 0.000 1.072 128 A CA -0.659 51.431 52.037 0.087 0.000 0.761 128 A CB 0.369 19.432 19.000 0.106 0.000 1.004 128 A HN 0.225 nan 8.150 nan 0.000 0.499 129 P HA 0.239 nan 4.420 nan 0.000 0.283 129 P C -0.798 176.606 177.300 0.174 0.000 1.278 129 P CA -0.877 62.297 63.100 0.124 0.000 0.834 129 P CB 0.990 32.737 31.700 0.079 0.000 1.150 130 N N 0.593 119.379 118.700 0.145 0.000 2.513 130 N HA 0.247 4.987 4.740 -0.000 0.000 0.274 130 N C -2.223 173.391 175.510 0.173 0.000 1.189 130 N CA -1.364 51.766 53.050 0.133 0.000 0.975 130 N CB -0.580 37.965 38.487 0.097 0.000 1.157 130 N HN 0.240 nan 8.380 nan 0.000 0.465 131 P HA 0.000 nan 4.420 nan 0.000 0.260 131 P C -0.284 177.118 177.300 0.169 0.000 1.185 131 P CA 0.081 63.253 63.100 0.121 0.000 0.763 131 P CB 0.195 31.917 31.700 0.036 0.000 0.776 132 C N 1.840 121.302 119.300 0.269 0.000 3.307 132 C HA 0.773 5.233 4.460 -0.000 0.000 0.350 132 C C -0.930 174.275 174.990 0.358 0.000 1.549 132 C CA -0.801 58.384 59.018 0.279 0.000 1.396 132 C CB 1.829 29.735 27.740 0.276 0.000 1.970 132 C HN 0.511 nan 8.230 nan 0.000 0.441 133 E N -0.752 119.661 120.200 0.355 0.000 2.383 133 E HA 0.667 5.017 4.350 -0.000 0.000 0.275 133 E C -1.671 175.185 176.600 0.426 0.000 0.918 133 E CA -0.217 56.357 56.400 0.290 0.000 0.764 133 E CB 2.403 32.170 29.700 0.111 0.000 1.252 133 E HN 0.901 nan 8.360 nan 0.000 0.449 134 W N 0.388 121.753 121.300 0.109 0.000 2.923 134 W HA 0.582 5.242 4.660 -0.000 0.000 0.373 134 W C -1.568 175.029 176.519 0.131 0.000 1.205 134 W CA -0.596 56.800 57.345 0.085 0.000 1.180 134 W CB 0.464 29.949 29.460 0.042 0.000 1.477 134 W HN 0.189 nan 8.180 nan 0.000 0.581 166 H N 0.196 118.841 119.070 -0.708 0.000 2.573 166 H HA 0.841 5.397 4.556 -0.000 0.000 0.351 166 H C -0.411 174.440 175.328 -0.795 0.000 1.163 166 H CA -0.738 54.803 56.048 -0.845 0.000 1.205 166 H CB 1.450 30.430 29.762 -1.303 0.000 1.605 166 H HN 0.386 nan 8.280 nan 0.000 0.525 167 V N 2.350 122.072 119.914 -0.319 0.000 2.604 167 V HA 0.294 4.414 4.120 -0.000 0.000 0.305 167 V C -1.224 174.927 176.094 0.095 0.000 1.043 167 V CA -0.794 61.437 62.300 -0.116 0.000 0.888 167 V CB 1.746 33.467 31.823 -0.171 0.000 0.995 167 V HN 0.638 nan 8.190 nan 0.000 0.429 168 F N 3.660 123.679 119.950 0.115 0.000 2.577 168 F HA 0.850 5.377 4.527 -0.000 0.000 0.344 168 F C 0.201 176.054 175.800 0.087 0.000 1.145 168 F CA -0.103 57.993 58.000 0.162 0.000 0.996 168 F CB 1.314 40.512 39.000 0.331 0.000 1.248 168 F HN 0.645 nan 8.300 nan 0.000 0.447 169 G N 4.077 112.627 108.800 -0.417 0.000 2.911 169 G HA2 0.525 4.485 3.960 -0.000 0.000 0.299 169 G HA3 0.525 4.485 3.960 -0.000 0.000 0.299 169 G C -2.109 172.577 174.900 -0.356 0.000 1.283 169 G CA -0.769 44.140 45.100 -0.319 0.000 0.805 169 G HN 0.633 nan 8.290 nan 0.000 0.548 170 Q N -1.161 118.524 119.800 -0.191 0.000 2.309 170 Q HA 0.610 4.950 4.340 -0.000 0.000 0.273 170 Q C -1.721 174.245 176.000 -0.055 0.000 1.040 170 Q CA -0.938 54.785 55.803 -0.134 0.000 0.834 170 Q CB 2.144 30.816 28.738 -0.109 0.000 1.345 170 Q HN 1.071 nan 8.270 nan 0.000 0.414 171 A N 4.693 127.494 122.820 -0.032 0.000 2.431 171 A HA 0.510 4.830 4.320 -0.000 0.000 0.318 171 A C -2.254 175.352 177.584 0.036 0.000 1.330 171 A CA -1.213 50.839 52.037 0.024 0.000 0.804 171 A CB 0.764 19.786 19.000 0.036 0.000 1.135 171 A HN 0.731 nan 8.150 nan 0.000 0.483 172 P HA 0.004 nan 4.420 nan 0.000 0.238 172 P C 0.016 177.366 177.300 0.084 0.000 1.183 172 P CA 0.453 63.587 63.100 0.057 0.000 0.813 172 P CB 0.116 31.851 31.700 0.059 0.000 0.944 173 Y N 1.545 121.848 120.300 0.005 0.000 2.335 173 Y HA 0.366 4.916 4.550 -0.000 0.000 0.331 173 Y C 0.287 176.200 175.900 0.021 0.000 1.094 173 Y CA -0.400 57.703 58.100 0.004 0.000 1.253 173 Y CB 0.721 39.175 38.460 -0.010 0.000 1.203 173 Y HN -0.212 nan 8.280 nan 0.000 0.508 174 S N 5.102 120.397 115.700 -0.674 0.000 2.420 174 S HA 0.675 5.145 4.470 -0.000 0.000 0.313 174 S C 0.022 174.257 174.600 -0.607 0.000 1.079 174 S CA -0.218 57.723 58.200 -0.432 0.000 1.104 174 S CB -0.309 62.731 63.200 -0.267 0.000 0.969 174 S HN 1.054 nan 8.310 nan 0.000 0.471 175 G N 3.532 112.211 108.800 -0.202 0.000 2.552 175 G HA2 0.512 4.472 3.960 -0.000 0.000 0.318 175 G HA3 0.512 4.472 3.960 -0.000 0.000 0.318 175 G C 0.824 175.698 174.900 -0.042 0.000 1.240 175 G CA -0.812 44.265 45.100 -0.039 0.000 1.002 175 G HN 0.697 nan 8.290 nan 0.000 0.493 176 I N -0.543 119.982 120.570 -0.075 0.000 2.193 176 I HA 0.007 4.177 4.170 -0.000 0.000 0.240 176 I C 0.981 176.851 176.117 -0.411 0.000 1.084 176 I CA 1.070 62.268 61.300 -0.170 0.000 1.365 176 I CB 0.061 37.976 38.000 -0.142 0.000 1.064 176 I HN 0.458 nan 8.210 nan 0.000 0.410 177 N N -0.979 117.509 118.700 -0.355 0.000 2.825 177 N HA 0.483 5.223 4.740 -0.000 0.000 0.253 177 N C -1.570 173.933 175.510 -0.011 0.000 1.426 177 N CA -0.591 52.150 53.050 -0.515 0.000 0.851 177 N CB 1.673 39.972 38.487 -0.314 0.000 1.470 177 N HN -0.058 nan 8.380 nan 0.000 0.517 178 I N 1.256 121.960 120.570 0.223 0.000 2.447 178 I HA 0.421 4.591 4.170 -0.000 0.000 0.287 178 I C -0.159 176.128 176.117 0.283 0.000 1.023 178 I CA -0.514 60.986 61.300 0.333 0.000 1.083 178 I CB 1.818 40.056 38.000 0.397 0.000 1.245 178 I HN 0.712 nan 8.210 nan 0.000 0.434 179 T N 1.105 115.851 114.554 0.320 0.000 2.742 179 T HA 0.360 4.710 4.350 -0.000 0.000 0.282 179 T C 0.629 175.400 174.700 0.118 0.000 1.025 179 T CA -0.727 61.476 62.100 0.170 0.000 1.020 179 T CB 1.748 70.730 68.868 0.190 0.000 1.317 179 T HN 0.383 nan 8.240 nan 0.000 0.538 180 K N 0.381 120.736 120.400 -0.075 0.000 2.442 180 K HA 0.002 4.322 4.320 -0.000 0.000 0.198 180 K C 1.677 178.298 176.600 0.035 0.000 1.044 180 K CA 1.236 57.455 56.287 -0.113 0.000 0.948 180 K CB -0.380 32.015 32.500 -0.175 0.000 0.762 180 K HN 0.564 nan 8.250 nan 0.000 0.472 181 E N -0.287 119.835 120.200 -0.130 0.000 2.435 181 E HA 0.100 4.450 4.350 -0.000 0.000 0.195 181 E C 0.888 177.343 176.600 -0.242 0.000 1.029 181 E CA 0.765 56.891 56.400 -0.457 0.000 0.865 181 E CB 0.229 29.063 29.700 -1.444 0.000 0.833 181 E HN 0.425 nan 8.360 nan 0.000 0.510 182 G N 1.675 110.546 108.800 0.119 0.000 2.384 182 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.204 182 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.204 182 G C -0.284 174.871 174.900 0.426 0.000 1.237 182 G CA -0.422 44.801 45.100 0.205 0.000 1.060 182 G HN 0.216 nan 8.290 nan 0.000 0.514 183 I N -1.406 119.413 120.570 0.416 0.000 2.474 183 I HA 0.655 4.825 4.170 -0.000 0.000 0.287 183 I C 0.270 176.557 176.117 0.284 0.000 1.048 183 I CA -0.507 61.005 61.300 0.353 0.000 1.383 183 I CB 1.397 39.596 38.000 0.332 0.000 1.412 183 I HN 0.686 nan 8.210 nan 0.000 0.531 184 Q N 6.171 126.030 119.800 0.098 0.000 2.296 184 Q HA 0.344 4.684 4.340 -0.000 0.000 0.257 184 Q C 0.537 176.517 176.000 -0.033 0.000 0.942 184 Q CA -0.554 55.139 55.803 -0.183 0.000 0.939 184 Q CB 1.437 29.971 28.738 -0.340 0.000 1.198 184 Q HN 0.933 nan 8.270 nan 0.000 0.429 185 I N 0.558 121.106 120.570 -0.038 0.000 3.793 185 I HA 0.474 4.644 4.170 -0.000 0.000 0.315 185 I C 0.631 176.752 176.117 0.006 0.000 1.275 185 I CA 0.208 61.542 61.300 0.056 0.000 1.214 185 I CB 0.242 38.239 38.000 -0.005 0.000 1.018 185 I HN 0.651 nan 8.210 nan 0.000 0.439 186 G N 1.372 110.127 108.800 -0.074 0.000 2.398 186 G HA2 0.358 4.318 3.960 -0.000 0.000 0.251 186 G HA3 0.358 4.318 3.960 -0.000 0.000 0.251 186 G C -1.157 173.677 174.900 -0.110 0.000 1.277 186 G CA 0.046 45.104 45.100 -0.071 0.000 0.927 186 G HN 0.722 nan 8.290 nan 0.000 0.477 187 V N -3.421 116.451 119.914 -0.071 0.000 2.766 187 V HA 0.592 4.712 4.120 -0.000 0.000 0.286 187 V C -0.649 175.427 176.094 -0.031 0.000 1.237 187 V CA -0.815 61.446 62.300 -0.065 0.000 0.934 187 V CB 1.287 33.069 31.823 -0.070 0.000 1.068 187 V HN 0.803 nan 8.190 nan 0.000 0.451 188 E N 3.826 124.015 120.200 -0.018 0.000 1.833 188 E HA 0.398 4.748 4.350 -0.000 0.000 0.258 188 E C 1.328 177.927 176.600 -0.003 0.000 1.257 188 E CA 0.995 57.393 56.400 -0.004 0.000 1.003 188 E CB 0.378 30.082 29.700 0.006 0.000 1.068 188 E HN 1.472 nan 8.360 nan 0.000 0.422 189 G N 3.838 112.634 108.800 -0.006 0.000 3.377 189 G HA2 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G HA3 -0.428 3.532 3.960 -0.000 0.000 0.304 189 G C 0.879 175.775 174.900 -0.007 0.000 1.366 189 G CA 0.415 45.513 45.100 -0.004 0.000 1.020 189 G HN 0.548 nan 8.290 nan 0.000 0.621 190 Q N 0.331 120.129 119.800 -0.003 0.000 2.378 190 Q HA 0.244 4.584 4.340 -0.000 0.000 0.229 190 Q C 0.713 176.711 176.000 -0.003 0.000 0.882 190 Q CA 0.798 56.599 55.803 -0.003 0.000 0.936 190 Q CB 0.788 29.526 28.738 0.001 0.000 1.092 190 Q HN 0.545 nan 8.270 nan 0.000 0.535 191 T N 2.551 117.105 114.554 0.001 0.000 2.899 191 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 191 T C -2.542 172.147 174.700 -0.018 0.000 1.004 191 T CA -1.390 60.714 62.100 0.008 0.000 1.043 191 T CB 1.240 70.122 68.868 0.024 0.000 1.013 191 T HN -0.143 nan 8.240 nan 0.000 0.518 192 P HA 0.390 nan 4.420 nan 0.000 0.301 192 P C -0.854 176.337 177.300 -0.183 0.000 1.348 192 P CA -0.864 62.153 63.100 -0.140 0.000 0.826 192 P CB 0.720 32.312 31.700 -0.182 0.000 0.945 193 K N 3.358 123.644 120.400 -0.191 0.000 2.234 193 K HA 0.348 4.668 4.320 -0.000 0.000 0.282 193 K C -0.319 176.138 176.600 -0.240 0.000 1.039 193 K CA -0.291 55.927 56.287 -0.116 0.000 0.928 193 K CB 0.182 32.650 32.500 -0.054 0.000 1.039 193 K HN 0.425 nan 8.250 nan 0.000 0.470 194 Y N -0.086 120.220 120.300 0.010 0.000 2.487 194 Y HA 0.454 5.004 4.550 -0.000 0.000 0.337 194 Y C 0.654 176.534 175.900 -0.034 0.000 1.076 194 Y CA -1.105 57.004 58.100 0.015 0.000 1.115 194 Y CB 1.551 40.035 38.460 0.040 0.000 1.235 194 Y HN 0.620 nan 8.280 nan 0.000 0.468 195 A N 1.505 124.388 122.820 0.106 0.000 2.498 195 A HA 0.049 4.369 4.320 -0.000 0.000 0.239 195 A C -0.141 177.359 177.584 -0.140 0.000 1.068 195 A CA -0.286 51.672 52.037 -0.132 0.000 0.766 195 A CB -0.064 18.774 19.000 -0.270 0.000 1.003 195 A HN 0.708 nan 8.150 nan 0.000 0.497 196 D N 2.061 122.263 120.400 -0.330 0.000 2.352 196 D HA 0.096 4.736 4.640 -0.000 0.000 0.245 196 D C 1.022 177.136 176.300 -0.311 0.000 1.224 196 D CA -0.005 53.843 54.000 -0.254 0.000 0.879 196 D CB 0.482 41.127 40.800 -0.259 0.000 1.057 196 D HN 0.550 nan 8.370 nan 0.000 0.491 197 K N 1.292 121.643 120.400 -0.082 0.000 2.127 197 K HA -0.239 4.081 4.320 -0.000 0.000 0.212 197 K C 1.903 178.477 176.600 -0.044 0.000 1.050 197 K CA 2.091 58.387 56.287 0.016 0.000 0.929 197 K CB -0.258 32.350 32.500 0.180 0.000 0.715 197 K HN 0.566 nan 8.250 nan 0.000 0.457 198 T N -1.076 113.486 114.554 0.014 0.000 2.881 198 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 198 T C 1.488 176.280 174.700 0.154 0.000 1.068 198 T CA 1.366 63.524 62.100 0.097 0.000 1.131 198 T CB -0.310 68.657 68.868 0.166 0.000 0.871 198 T HN 0.467 nan 8.240 nan 0.000 0.479 199 F N -0.905 118.981 119.950 -0.107 0.000 3.031 199 F HA 0.528 5.055 4.527 -0.000 0.000 0.365 199 F C -0.119 175.567 175.800 -0.191 0.000 1.128 199 F CA -1.202 56.725 58.000 -0.121 0.000 1.068 199 F CB 0.339 39.288 39.000 -0.085 0.000 1.280 199 F HN 0.016 nan 8.300 nan 0.000 0.529 200 Q N 3.853 123.155 119.800 -0.831 0.000 2.342 200 Q HA 0.470 4.810 4.340 -0.000 0.000 0.267 200 Q C -2.668 172.796 176.000 -0.893 0.000 1.038 200 Q CA -2.346 52.960 55.803 -0.828 0.000 0.832 200 Q CB 2.527 30.684 28.738 -0.969 0.000 1.323 200 Q HN -0.029 nan 8.270 nan 0.000 0.448 201 P HA 0.027 nan 4.420 nan 0.000 0.274 201 P C -0.970 176.139 177.300 -0.318 0.000 1.256 201 P CA -0.234 62.535 63.100 -0.553 0.000 0.795 201 P CB 0.857 32.282 31.700 -0.458 0.000 1.038 202 E N 1.345 121.418 120.200 -0.211 0.000 2.174 202 E HA 0.176 4.526 4.350 -0.000 0.000 0.282 202 E C -1.718 174.871 176.600 -0.019 0.000 0.992 202 E CA -1.792 54.572 56.400 -0.060 0.000 0.803 202 E CB 0.588 30.297 29.700 0.014 0.000 1.090 202 E HN 0.308 nan 8.360 nan 0.000 0.396 203 P HA -0.276 nan 4.420 nan 0.000 0.217 203 P C 0.858 178.182 177.300 0.040 0.000 1.148 203 P CA 1.504 64.618 63.100 0.023 0.000 0.834 203 P CB 0.165 31.880 31.700 0.026 0.000 0.783 204 Q N -1.009 118.816 119.800 0.042 0.000 2.224 204 Q HA -0.017 4.323 4.340 -0.000 0.000 0.203 204 Q C 0.722 176.758 176.000 0.059 0.000 0.970 204 Q CA 0.675 56.508 55.803 0.050 0.000 0.865 204 Q CB -0.529 28.238 28.738 0.049 0.000 0.922 204 Q HN 0.287 nan 8.270 nan 0.000 0.445 205 I N 0.822 121.434 120.570 0.070 0.000 2.428 205 I HA 0.536 4.706 4.170 -0.000 0.000 0.296 205 I C 0.362 176.554 176.117 0.125 0.000 0.985 205 I CA -0.563 60.799 61.300 0.104 0.000 1.260 205 I CB 1.613 39.698 38.000 0.142 0.000 1.389 205 I HN 0.124 nan 8.210 nan 0.000 0.484 206 G N 3.925 112.782 108.800 0.094 0.000 2.663 206 G HA2 0.337 4.297 3.960 -0.000 0.000 0.299 206 G HA3 0.337 4.297 3.960 -0.000 0.000 0.299 206 G C -1.345 173.559 174.900 0.007 0.000 1.372 206 G CA -0.653 44.481 45.100 0.057 0.000 0.781 206 G HN 0.508 nan 8.290 nan 0.000 0.491 207 E N 0.011 120.193 120.200 -0.031 0.000 2.415 207 E HA 0.171 4.521 4.350 -0.000 0.000 0.262 207 E C 0.664 177.229 176.600 -0.058 0.000 1.038 207 E CA 0.137 56.495 56.400 -0.069 0.000 0.921 207 E CB 1.288 30.932 29.700 -0.093 0.000 0.950 207 E HN 0.290 nan 8.360 nan 0.000 0.438 208 S N 1.724 117.377 115.700 -0.078 0.000 2.406 208 S HA -0.092 4.378 4.470 -0.000 0.000 0.224 208 S C 0.356 174.898 174.600 -0.096 0.000 1.030 208 S CA 0.497 58.660 58.200 -0.061 0.000 0.958 208 S CB 0.152 63.323 63.200 -0.049 0.000 0.811 208 S HN 0.418 nan 8.310 nan 0.000 0.489 209 Q N 1.381 121.046 119.800 -0.225 0.000 2.317 209 Q HA 0.174 4.514 4.340 -0.000 0.000 0.229 209 Q C 0.961 176.739 176.000 -0.370 0.000 0.984 209 Q CA -0.485 55.072 55.803 -0.410 0.000 0.911 209 Q CB 0.028 28.224 28.738 -0.904 0.000 1.217 209 Q HN 0.565 nan 8.270 nan 0.000 0.501 210 W N 0.345 121.453 121.300 -0.320 0.000 2.576 210 W HA 0.064 4.724 4.660 -0.000 0.000 0.270 210 W C -0.282 176.171 176.519 -0.109 0.000 1.255 210 W CA -0.328 56.927 57.345 -0.151 0.000 1.314 210 W CB -0.561 28.877 29.460 -0.038 0.000 1.101 210 W HN 0.635 nan 8.180 nan 0.000 0.595 211 Y N 1.552 121.359 120.300 -0.821 0.000 2.304 211 Y HA 0.508 5.059 4.550 -0.000 0.000 0.327 211 Y C 0.173 175.890 175.900 -0.304 0.000 1.209 211 Y CA -2.177 55.522 58.100 -0.668 0.000 1.299 211 Y CB 0.032 37.813 38.460 -1.131 0.000 1.249 211 Y HN -0.085 nan 8.280 nan 0.000 0.519 212 E N 1.486 121.719 120.200 0.055 0.000 2.351 212 E HA 0.026 4.376 4.350 -0.000 0.000 0.266 212 E C -0.003 176.649 176.600 0.087 0.000 1.031 212 E CA 0.166 56.590 56.400 0.039 0.000 0.911 212 E CB 0.801 30.522 29.700 0.034 0.000 0.986 212 E HN 0.836 nan 8.360 nan 0.000 0.446 213 T N 3.185 117.771 114.554 0.053 0.000 3.069 213 T HA -0.009 4.341 4.350 -0.000 0.000 0.252 213 T C -0.620 174.088 174.700 0.013 0.000 1.053 213 T CA -0.025 62.113 62.100 0.063 0.000 0.964 213 T CB 0.016 68.918 68.868 0.057 0.000 1.005 213 T HN 0.607 nan 8.240 nan 0.000 0.532 214 E N 1.151 121.352 120.200 0.001 0.000 5.234 214 E HA -0.123 4.227 4.350 -0.000 0.000 0.170 214 E C -0.878 175.714 176.600 -0.012 0.000 1.556 214 E CA -0.054 56.342 56.400 -0.008 0.000 1.185 214 E CB -1.093 28.602 29.700 -0.008 0.000 1.023 214 E HN 0.519 nan 8.360 nan 0.000 0.337 215 I N 3.026 123.585 120.570 -0.019 0.000 2.416 215 I HA 0.049 4.219 4.170 -0.000 0.000 0.288 215 I C 1.538 177.639 176.117 -0.025 0.000 1.051 215 I CA -0.266 61.023 61.300 -0.017 0.000 1.375 215 I CB 0.593 38.576 38.000 -0.027 0.000 1.407 215 I HN 0.415 nan 8.210 nan 0.000 0.516 216 N N 3.506 122.194 118.700 -0.020 0.000 2.402 216 N HA 0.008 4.748 4.740 -0.000 0.000 0.174 216 N C -0.129 175.164 175.510 -0.362 0.000 1.027 216 N CA 0.768 53.724 53.050 -0.157 0.000 0.891 216 N CB 0.247 38.652 38.487 -0.137 0.000 1.016 216 N HN 0.566 nan 8.380 nan 0.000 0.439 217 H N -0.083 118.999 119.070 0.021 0.000 2.736 217 H HA 0.586 5.142 4.556 -0.000 0.000 0.271 217 H C -0.575 174.783 175.328 0.051 0.000 1.184 217 H CA -0.525 55.554 56.048 0.052 0.000 1.378 217 H CB 1.057 30.852 29.762 0.055 0.000 1.428 217 H HN 0.076 nan 8.280 nan 0.000 0.500 218 A N 2.130 125.025 122.820 0.125 0.000 2.311 218 A HA 0.936 5.256 4.320 -0.000 0.000 0.334 218 A C -0.421 177.270 177.584 0.178 0.000 1.139 218 A CA -0.225 51.883 52.037 0.118 0.000 0.830 218 A CB 0.925 19.961 19.000 0.061 0.000 1.234 218 A HN 0.701 nan 8.150 nan 0.000 0.483 219 A N -0.238 122.710 122.820 0.215 0.000 2.527 219 A HA 0.992 5.312 4.320 -0.000 0.000 0.293 219 A C -0.087 177.605 177.584 0.181 0.000 1.117 219 A CA -0.117 52.063 52.037 0.239 0.000 0.723 219 A CB 1.637 20.821 19.000 0.307 0.000 1.313 219 A HN 2.429 nan 8.150 nan 0.000 0.411 220 G N -0.247 108.651 108.800 0.163 0.000 2.495 220 G HA2 0.580 4.540 3.960 -0.000 0.000 0.294 220 G HA3 0.580 4.540 3.960 -0.000 0.000 0.294 220 G C -1.683 173.284 174.900 0.110 0.000 1.397 220 G CA -0.889 44.269 45.100 0.097 0.000 0.790 220 G HN 0.740 nan 8.290 nan 0.000 0.486 221 R N -1.087 119.451 120.500 0.063 0.000 2.711 221 R HA 0.807 5.147 4.340 -0.000 0.000 0.284 221 R C -1.157 175.181 176.300 0.063 0.000 0.968 221 R CA -0.848 55.295 56.100 0.073 0.000 0.924 221 R CB 2.516 32.834 30.300 0.029 0.000 1.162 221 R HN 0.509 nan 8.270 nan 0.000 0.465 222 V N 3.205 123.165 119.914 0.077 0.000 3.159 222 V HA 0.505 4.625 4.120 -0.000 0.000 0.308 222 V C -1.443 174.695 176.094 0.074 0.000 1.190 222 V CA -0.979 61.363 62.300 0.070 0.000 1.037 222 V CB 2.550 34.414 31.823 0.068 0.000 1.060 222 V HN 0.566 nan 8.190 nan 0.000 0.437 223 L N 4.118 125.390 121.223 0.082 0.000 2.282 223 L HA 0.536 4.876 4.340 -0.000 0.000 0.288 223 L C 0.298 177.221 176.870 0.088 0.000 1.033 223 L CA -0.591 54.295 54.840 0.077 0.000 0.807 223 L CB 1.395 43.500 42.059 0.076 0.000 1.209 223 L HN 0.603 nan 8.230 nan 0.000 0.423 224 K N 1.973 122.415 120.400 0.071 0.000 2.336 224 K HA -0.020 4.300 4.320 -0.000 0.000 0.262 224 K C 1.030 177.682 176.600 0.086 0.000 0.992 224 K CA -0.106 56.223 56.287 0.069 0.000 0.927 224 K CB 0.669 33.198 32.500 0.049 0.000 0.956 224 K HN 0.545 nan 8.250 nan 0.000 0.495 225 K N -0.242 120.213 120.400 0.092 0.000 2.442 225 K HA -0.110 4.210 4.320 -0.000 0.000 0.198 225 K C 1.136 177.790 176.600 0.090 0.000 1.044 225 K CA 1.672 58.029 56.287 0.116 0.000 0.948 225 K CB -0.221 32.348 32.500 0.115 0.000 0.762 225 K HN 0.618 nan 8.250 nan 0.000 0.472 226 T N -1.876 112.717 114.554 0.065 0.000 3.085 226 T HA -0.009 4.341 4.350 -0.000 0.000 0.263 226 T C 0.666 175.393 174.700 0.045 0.000 1.127 226 T CA 0.193 62.322 62.100 0.050 0.000 1.103 226 T CB -0.123 68.767 68.868 0.037 0.000 0.921 226 T HN 0.044 nan 8.240 nan 0.000 0.510 227 T N 5.156 119.741 114.554 0.051 0.000 2.744 227 T HA 0.392 4.742 4.350 -0.000 0.000 0.291 227 T C -2.540 172.190 174.700 0.050 0.000 0.957 227 T CA -1.371 60.754 62.100 0.041 0.000 1.002 227 T CB 1.360 70.251 68.868 0.038 0.000 0.919 227 T HN 0.194 nan 8.240 nan 0.000 0.468 228 P HA 0.053 nan 4.420 nan 0.000 0.266 228 P C -0.315 177.006 177.300 0.036 0.000 1.195 228 P CA -0.265 62.856 63.100 0.034 0.000 0.768 228 P CB 0.614 32.327 31.700 0.022 0.000 0.838 229 M N 3.150 122.770 119.600 0.032 0.000 2.217 229 M HA 0.134 4.614 4.480 -0.000 0.000 0.354 229 M C 0.210 176.519 176.300 0.015 0.000 1.225 229 M CA 0.627 55.943 55.300 0.028 0.000 1.137 229 M CB 0.277 32.877 32.600 -0.001 0.000 1.576 229 M HN 0.194 nan 8.290 nan 0.000 0.461 230 K N 4.499 124.917 120.400 0.030 0.000 2.527 230 K HA 0.527 4.847 4.320 -0.000 0.000 0.260 230 K C -2.750 173.882 176.600 0.053 0.000 0.937 230 K CA -1.800 54.507 56.287 0.034 0.000 0.826 230 K CB 1.698 34.221 32.500 0.039 0.000 1.359 230 K HN 0.298 nan 8.250 nan 0.000 0.434 231 P HA 0.028 nan 4.420 nan 0.000 0.268 231 P C 0.921 178.293 177.300 0.121 0.000 1.208 231 P CA -0.157 62.998 63.100 0.091 0.000 0.777 231 P CB 0.599 32.360 31.700 0.102 0.000 0.875 232 C N 3.330 122.712 119.300 0.136 0.000 2.413 232 C HA -0.165 4.295 4.460 -0.000 0.000 0.276 232 C C 1.380 176.475 174.990 0.174 0.000 1.236 232 C CA 0.442 59.544 59.018 0.141 0.000 1.735 232 C CB -1.580 26.245 27.740 0.141 0.000 2.031 232 C HN 0.524 nan 8.230 nan 0.000 0.474 233 Y N 1.213 121.556 120.300 0.073 0.000 2.745 233 Y HA 0.367 4.917 4.550 -0.000 0.000 0.335 233 Y C 1.221 177.181 175.900 0.100 0.000 1.212 233 Y CA 1.299 59.447 58.100 0.080 0.000 1.535 233 Y CB -0.061 38.429 38.460 0.050 0.000 1.220 233 Y HN 0.660 nan 8.280 nan 0.000 0.531 234 G N 3.017 111.690 108.800 -0.211 0.000 2.195 234 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.246 234 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.246 234 G C 0.235 175.195 174.900 0.100 0.000 0.984 234 G CA 0.141 45.209 45.100 -0.054 0.000 0.633 234 G HN 0.716 nan 8.290 nan 0.000 0.525 235 S N 0.226 115.976 115.700 0.083 0.000 2.531 235 S HA 0.558 5.028 4.470 -0.000 0.000 0.279 235 S C -0.479 174.107 174.600 -0.022 0.000 1.305 235 S CA 0.067 58.292 58.200 0.042 0.000 1.058 235 S CB 1.001 64.229 63.200 0.048 0.000 0.899 235 S HN 0.751 nan 8.310 nan 0.000 0.493 236 Y N 1.415 121.546 120.300 -0.282 0.000 2.534 236 Y HA 0.626 5.176 4.550 -0.000 0.000 0.345 236 Y C -1.099 174.653 175.900 -0.246 0.000 1.031 236 Y CA -0.994 56.827 58.100 -0.464 0.000 1.022 236 Y CB 1.402 39.260 38.460 -1.003 0.000 1.292 236 Y HN 0.667 nan 8.280 nan 0.000 0.459 237 A N 5.700 127.815 122.820 -1.175 0.000 2.485 237 A HA 0.479 4.799 4.320 -0.000 0.000 0.285 237 A C -1.457 175.552 177.584 -0.958 0.000 1.045 237 A CA -1.000 50.534 52.037 -0.839 0.000 0.792 237 A CB 0.676 19.456 19.000 -0.368 0.000 1.307 237 A HN 0.803 nan 8.150 nan 0.000 0.406 238 K N 3.316 123.253 120.400 -0.770 0.000 2.485 238 K HA 0.357 4.677 4.320 -0.000 0.000 0.277 238 K C -2.359 174.126 176.600 -0.192 0.000 0.990 238 K CA -0.636 55.441 56.287 -0.350 0.000 0.994 238 K CB 0.324 32.773 32.500 -0.085 0.000 0.906 238 K HN 0.355 nan 8.250 nan 0.000 0.488 239 P HA 0.013 nan 4.420 nan 0.000 0.278 239 P C -0.115 177.164 177.300 -0.036 0.000 1.238 239 P CA -0.412 62.654 63.100 -0.057 0.000 0.794 239 P CB 1.313 32.998 31.700 -0.026 0.000 0.955 240 T N -1.757 112.779 114.554 -0.029 0.000 3.092 240 T HA 0.196 4.546 4.350 -0.000 0.000 0.258 240 T C 0.228 174.920 174.700 -0.014 0.000 1.031 240 T CA -0.312 61.778 62.100 -0.017 0.000 0.925 240 T CB -0.750 68.111 68.868 -0.012 0.000 1.036 240 T HN 0.595 nan 8.240 nan 0.000 0.544 241 N N -0.689 117.996 118.700 -0.025 0.000 2.484 241 N HA 0.235 4.975 4.740 -0.000 0.000 0.269 241 N C 0.171 175.634 175.510 -0.079 0.000 1.237 241 N CA -0.993 52.031 53.050 -0.042 0.000 0.838 241 N CB 1.272 39.741 38.487 -0.030 0.000 1.593 241 N HN -0.007 nan 8.380 nan 0.000 0.485 242 E N -0.169 119.973 120.200 -0.096 0.000 2.396 242 E HA -0.171 4.179 4.350 -0.000 0.000 0.200 242 E C -0.054 176.434 176.600 -0.188 0.000 1.023 242 E CA 0.958 57.289 56.400 -0.114 0.000 0.857 242 E CB -0.097 29.541 29.700 -0.103 0.000 0.775 242 E HN 0.488 nan 8.360 nan 0.000 0.525 243 N N -0.608 117.914 118.700 -0.297 0.000 2.322 243 N HA 0.039 4.779 4.740 -0.000 0.000 0.194 243 N C 0.853 176.207 175.510 -0.260 0.000 1.126 243 N CA 0.831 53.581 53.050 -0.500 0.000 0.845 243 N CB 1.256 38.939 38.487 -1.340 0.000 0.976 243 N HN 0.321 nan 8.380 nan 0.000 0.475 244 G N -0.032 108.696 108.800 -0.120 0.000 2.175 244 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.244 244 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.244 244 G C 0.503 175.405 174.900 0.005 0.000 0.982 244 G CA -0.080 44.998 45.100 -0.036 0.000 0.641 244 G HN 0.557 nan 8.290 nan 0.000 0.527 245 G N -0.066 108.752 108.800 0.030 0.000 2.544 245 G HA2 0.527 4.487 3.960 -0.000 0.000 0.242 245 G HA3 0.527 4.487 3.960 -0.000 0.000 0.242 245 G C 0.602 175.504 174.900 0.003 0.000 1.247 245 G CA 0.523 45.655 45.100 0.054 0.000 0.840 245 G HN 1.157 nan 8.290 nan 0.000 0.578 246 Q N 1.401 121.195 119.800 -0.011 0.000 2.233 246 Q HA 0.312 4.652 4.340 -0.000 0.000 0.340 246 Q C 1.200 177.183 176.000 -0.028 0.000 0.899 246 Q CA -0.062 55.714 55.803 -0.044 0.000 1.139 246 Q CB 0.700 29.384 28.738 -0.089 0.000 1.273 246 Q HN 0.560 nan 8.270 nan 0.000 0.431 247 G N 1.054 109.852 108.800 -0.003 0.000 2.418 247 G HA2 0.007 3.967 3.960 -0.000 0.000 0.217 247 G HA3 0.007 3.967 3.960 -0.000 0.000 0.217 247 G C 0.939 175.840 174.900 0.001 0.000 1.158 247 G CA 1.521 46.625 45.100 0.006 0.000 0.771 247 G HN 0.513 nan 8.290 nan 0.000 0.545 248 I N -3.642 116.925 120.570 -0.004 0.000 1.251 248 I HA -0.008 4.162 4.170 -0.000 0.000 0.295 248 I C -0.621 175.495 176.117 -0.003 0.000 0.524 248 I CA -0.303 60.994 61.300 -0.004 0.000 3.160 248 I CB -0.119 37.883 38.000 0.003 0.000 1.706 248 I HN 0.017 nan 8.210 nan 0.000 0.523 249 L N 1.129 122.354 121.223 0.003 0.000 3.065 249 L HA 0.006 4.346 4.340 -0.000 0.000 0.429 249 L C -0.890 175.982 176.870 0.004 0.000 0.956 249 L CA -0.402 54.440 54.840 0.004 0.000 1.409 249 L CB -0.922 41.138 42.059 0.001 0.000 1.708 249 L HN 0.170 nan 8.230 nan 0.000 0.428 250 V N 0.923 120.840 119.914 0.005 0.000 2.668 250 V HA 0.811 4.931 4.120 -0.000 0.000 0.304 250 V C -0.048 176.049 176.094 0.006 0.000 1.071 250 V CA 0.090 62.393 62.300 0.005 0.000 0.894 250 V CB 1.810 33.636 31.823 0.005 0.000 1.008 250 V HN 0.395 nan 8.190 nan 0.000 0.425 251 K N 3.581 123.984 120.400 0.005 0.000 2.972 251 K HA -0.196 4.124 4.320 -0.000 0.000 0.853 251 K C 0.688 177.291 176.600 0.006 0.000 2.102 251 K CA 0.698 56.988 56.287 0.005 0.000 1.382 251 K CB -0.722 31.781 32.500 0.005 0.000 2.605 251 K HN 0.939 nan 8.250 nan 0.000 0.218 252 Q N 0.934 120.737 119.800 0.005 0.000 2.331 252 Q HA 0.067 4.407 4.340 -0.000 0.000 0.203 252 Q C 0.234 176.236 176.000 0.003 0.000 0.944 252 Q CA 0.902 56.708 55.803 0.004 0.000 0.892 252 Q CB 0.477 29.217 28.738 0.003 0.000 0.983 252 Q HN 0.395 nan 8.270 nan 0.000 0.482 253 Q N -1.226 118.576 119.800 0.003 0.000 2.756 253 Q HA 0.190 4.530 4.340 -0.000 0.000 0.295 253 Q C -0.870 175.132 176.000 0.003 0.000 0.903 253 Q CA -0.720 55.085 55.803 0.003 0.000 0.768 253 Q CB 1.011 29.750 28.738 0.002 0.000 1.472 253 Q HN 0.052 nan 8.270 nan 0.000 0.416 254 N N -0.320 118.381 118.700 0.002 0.000 1.366 254 N HA -0.263 4.477 4.740 -0.000 0.000 0.141 254 N C 0.238 175.749 175.510 0.003 0.000 0.460 254 N CA 2.047 55.098 53.050 0.002 0.000 1.090 254 N CB -1.521 36.967 38.487 0.002 0.000 1.396 254 N HN 0.762 nan 8.380 nan 0.000 0.443 255 G N 1.510 110.312 108.800 0.003 0.000 2.415 255 G HA2 0.491 4.451 3.960 -0.000 0.000 0.269 255 G HA3 0.491 4.451 3.960 -0.000 0.000 0.269 255 G C -0.103 174.800 174.900 0.005 0.000 1.209 255 G CA 0.145 45.247 45.100 0.004 0.000 0.835 255 G HN 0.736 nan 8.290 nan 0.000 0.534 256 K N 2.402 122.805 120.400 0.005 0.000 2.568 256 K HA 0.300 4.620 4.320 -0.000 0.000 0.273 256 K C -0.569 176.035 176.600 0.006 0.000 0.951 256 K CA -0.818 55.473 56.287 0.006 0.000 0.854 256 K CB 0.870 33.373 32.500 0.006 0.000 1.424 256 K HN 0.336 nan 8.250 nan 0.000 0.427 257 L N 0.897 122.125 121.223 0.007 0.000 2.240 257 L HA 0.037 4.377 4.340 -0.000 0.000 0.166 257 L C 1.482 178.358 176.870 0.010 0.000 0.893 257 L CA 0.127 54.972 54.840 0.009 0.000 1.058 257 L CB -0.266 41.800 42.059 0.012 0.000 1.371 257 L HN 0.662 nan 8.230 nan 0.000 0.480 258 E N -0.582 119.626 120.200 0.013 0.000 2.683 258 E HA -0.025 4.325 4.350 -0.000 0.000 0.266 258 E C 0.689 177.299 176.600 0.015 0.000 1.434 258 E CA 0.282 56.692 56.400 0.017 0.000 1.137 258 E CB 0.363 30.076 29.700 0.022 0.000 0.992 258 E HN 0.573 nan 8.360 nan 0.000 0.607 259 S N -0.712 114.999 115.700 0.019 0.000 2.836 259 S HA 0.182 4.652 4.470 -0.000 0.000 0.164 259 S C 0.423 175.033 174.600 0.017 0.000 0.714 259 S CA -0.457 57.753 58.200 0.016 0.000 0.906 259 S CB 0.404 63.614 63.200 0.017 0.000 0.702 259 S HN 0.471 nan 8.310 nan 0.000 0.571 260 Q N -0.964 118.849 119.800 0.022 0.000 2.397 260 Q HA 0.569 4.909 4.340 -0.000 0.000 0.384 260 Q C -1.547 174.471 176.000 0.030 0.000 0.574 260 Q CA -0.360 55.455 55.803 0.021 0.000 1.025 260 Q CB 0.904 29.650 28.738 0.014 0.000 0.985 260 Q HN 0.645 nan 8.270 nan 0.000 0.456 261 V N 0.201 120.130 119.914 0.025 0.000 2.115 261 V HA -0.023 4.097 4.120 -0.000 0.000 0.344 261 V C -1.883 174.213 176.094 0.003 0.000 1.564 261 V CA -0.628 61.693 62.300 0.034 0.000 0.889 261 V CB 0.635 32.503 31.823 0.075 0.000 1.226 261 V HN 0.751 nan 8.190 nan 0.000 0.228 262 E N 1.987 122.173 120.200 -0.024 0.000 2.313 262 E HA 0.534 4.884 4.350 -0.000 0.000 0.280 262 E C -0.965 175.524 176.600 -0.186 0.000 0.898 262 E CA -0.762 55.588 56.400 -0.084 0.000 0.803 262 E CB 1.990 31.657 29.700 -0.055 0.000 1.286 262 E HN 0.646 nan 8.360 nan 0.000 0.401 263 M N 2.133 121.534 119.600 -0.332 0.000 2.248 263 M HA 0.111 4.591 4.480 -0.000 0.000 0.337 263 M C -0.104 175.881 176.300 -0.525 0.000 1.121 263 M CA 0.859 55.789 55.300 -0.617 0.000 1.155 263 M CB 0.425 32.505 32.600 -0.866 0.000 1.514 263 M HN 0.332 nan 8.290 nan 0.000 0.452 264 Q N 2.974 122.418 119.800 -0.594 0.000 2.490 264 Q HA 0.372 4.712 4.340 -0.000 0.000 0.255 264 Q C -1.505 173.923 176.000 -0.954 0.000 0.997 264 Q CA -0.316 55.136 55.803 -0.586 0.000 0.709 264 Q CB 1.098 29.690 28.738 -0.243 0.000 1.255 264 Q HN 0.480 nan 8.270 nan 0.000 0.486 265 F N 1.623 121.178 119.950 -0.658 0.000 2.459 265 F HA 0.376 4.903 4.527 -0.000 0.000 0.346 265 F C 0.182 175.449 175.800 -0.888 0.000 1.128 265 F CA 0.278 57.966 58.000 -0.519 0.000 1.268 265 F CB 0.427 39.261 39.000 -0.277 0.000 1.161 265 F HN 0.309 nan 8.300 nan 0.000 0.583 266 F N -0.180 119.852 119.950 0.138 0.000 2.613 266 F HA 0.510 5.037 4.527 -0.000 0.000 0.310 266 F C -0.007 175.822 175.800 0.049 0.000 1.085 266 F CA -0.917 57.120 58.000 0.060 0.000 0.945 266 F CB 1.884 40.893 39.000 0.016 0.000 1.298 266 F HN 0.467 nan 8.300 nan 0.000 0.455 267 S N -0.599 115.225 115.700 0.207 0.000 2.753 267 S HA 0.615 5.085 4.470 -0.000 0.000 0.302 267 S C -0.026 174.625 174.600 0.085 0.000 1.104 267 S CA -0.338 57.927 58.200 0.108 0.000 0.968 267 S CB 1.604 64.840 63.200 0.059 0.000 1.278 267 S HN 0.555 nan 8.310 nan 0.000 0.549 268 T N 0.780 115.360 114.554 0.045 0.000 3.084 268 T HA 0.330 4.680 4.350 -0.000 0.000 0.270 268 T C -0.373 174.340 174.700 0.021 0.000 1.008 268 T CA 0.363 62.479 62.100 0.028 0.000 0.900 268 T CB -0.277 68.598 68.868 0.011 0.000 1.084 268 T HN 0.883 nan 8.240 nan 0.000 0.538 269 T N 2.592 117.160 114.554 0.024 0.000 4.385 269 T HA -0.142 4.208 4.350 -0.000 0.000 0.330 269 T C -0.160 174.545 174.700 0.009 0.000 0.771 269 T CA 0.425 62.535 62.100 0.017 0.000 1.973 269 T CB -1.587 67.291 68.868 0.016 0.000 1.908 269 T HN 0.550 nan 8.240 nan 0.000 0.933 270 E N 1.495 121.699 120.200 0.007 0.000 2.129 270 E HA 0.513 4.863 4.350 -0.000 0.000 0.283 270 E C 0.589 177.189 176.600 0.000 0.000 1.080 270 E CA 0.267 56.668 56.400 0.002 0.000 0.867 270 E CB 0.851 30.551 29.700 -0.000 0.000 1.056 270 E HN 0.836 nan 8.360 nan 0.000 0.404 271 A N 2.758 125.578 122.820 -0.000 0.000 2.434 271 A HA -0.159 4.161 4.320 -0.000 0.000 0.686 271 A C 0.966 178.549 177.584 -0.002 0.000 0.138 271 A CA 0.582 52.618 52.037 -0.002 0.000 0.027 271 A CB -1.589 17.409 19.000 -0.003 0.000 3.972 271 A HN 0.858 nan 8.150 nan 0.000 0.548 272 T N 1.139 115.691 114.554 -0.002 0.000 2.814 272 T HA 0.635 4.985 4.350 -0.000 0.000 0.254 272 T C 1.483 176.180 174.700 -0.006 0.000 1.037 272 T CA 2.097 64.195 62.100 -0.003 0.000 1.143 272 T CB -0.220 68.647 68.868 -0.002 0.000 0.866 272 T HN 2.611 nan 8.240 nan 0.000 0.431 273 A N 1.370 124.186 122.820 -0.006 0.000 2.454 273 A HA 0.545 4.865 4.320 -0.000 0.000 0.260 273 A C 0.866 178.444 177.584 -0.010 0.000 1.106 273 A CA 0.028 52.060 52.037 -0.008 0.000 0.780 273 A CB -0.185 18.811 19.000 -0.007 0.000 1.044 273 A HN 0.677 nan 8.150 nan 0.000 0.498 274 G N 2.663 111.455 108.800 -0.013 0.000 2.696 274 G HA2 0.389 4.349 3.960 -0.000 0.000 0.329 274 G HA3 0.389 4.349 3.960 -0.000 0.000 0.329 274 G C 0.253 175.144 174.900 -0.016 0.000 0.973 274 G CA -0.541 44.550 45.100 -0.016 0.000 1.257 274 G HN 0.781 nan 8.290 nan 0.000 0.456 275 N N 2.387 121.079 118.700 -0.014 0.000 2.518 275 N HA 0.057 4.797 4.740 -0.000 0.000 0.230 275 N C 1.692 177.194 175.510 -0.014 0.000 1.022 275 N CA 0.693 53.735 53.050 -0.013 0.000 1.172 275 N CB 0.292 38.773 38.487 -0.010 0.000 1.498 275 N HN 0.396 nan 8.380 nan 0.000 0.602 276 G N 1.167 109.960 108.800 -0.012 0.000 3.228 276 G HA2 0.054 4.014 3.960 -0.000 0.000 0.245 276 G HA3 0.054 4.014 3.960 -0.000 0.000 0.245 276 G C -0.292 174.602 174.900 -0.011 0.000 1.051 276 G CA -0.164 44.929 45.100 -0.011 0.000 0.809 276 G HN 0.388 nan 8.290 nan 0.000 0.531 277 D N 0.867 121.260 120.400 -0.011 0.000 2.368 277 D HA 0.020 4.660 4.640 -0.000 0.000 0.240 277 D C -0.376 175.916 176.300 -0.012 0.000 1.169 277 D CA -0.466 53.528 54.000 -0.010 0.000 0.906 277 D CB 0.588 41.382 40.800 -0.009 0.000 1.187 277 D HN -0.015 nan 8.370 nan 0.000 0.435 278 N N 1.766 120.461 118.700 -0.009 0.000 2.558 278 N HA 0.097 4.837 4.740 -0.000 0.000 0.233 278 N C 0.494 175.997 175.510 -0.012 0.000 1.038 278 N CA -0.455 52.589 53.050 -0.010 0.000 0.934 278 N CB 1.102 39.589 38.487 0.001 0.000 1.175 278 N HN 0.342 nan 8.380 nan 0.000 0.512 279 L N 1.528 122.737 121.223 -0.024 0.000 2.814 279 L HA -0.111 4.229 4.340 -0.000 0.000 0.248 279 L C 0.615 177.472 176.870 -0.022 0.000 1.169 279 L CA 0.495 55.319 54.840 -0.027 0.000 0.872 279 L CB -1.177 40.855 42.059 -0.044 0.000 1.029 279 L HN 0.516 nan 8.230 nan 0.000 0.452 280 T N -0.769 113.779 114.554 -0.011 0.000 2.657 280 T HA -0.066 4.284 4.350 -0.000 0.000 0.245 280 T C -1.866 172.846 174.700 0.020 0.000 1.021 280 T CA -1.107 61.000 62.100 0.012 0.000 1.155 280 T CB -0.644 68.246 68.868 0.038 0.000 1.022 280 T HN 0.174 nan 8.240 nan 0.000 0.477 281 P HA 0.216 nan 4.420 nan 0.000 0.271 281 P C 0.198 177.531 177.300 0.055 0.000 1.244 281 P CA -0.397 62.767 63.100 0.106 0.000 0.793 281 P CB 0.781 32.626 31.700 0.242 0.000 0.984 282 K N -1.010 119.433 120.400 0.072 0.000 2.477 282 K HA 0.354 4.674 4.320 -0.000 0.000 0.208 282 K C -0.907 175.723 176.600 0.051 0.000 1.117 282 K CA 0.008 56.294 56.287 -0.003 0.000 1.039 282 K CB 0.902 33.398 32.500 -0.007 0.000 0.937 282 K HN 0.186 nan 8.250 nan 0.000 0.570 283 V N 1.289 121.286 119.914 0.139 0.000 2.859 283 V HA 0.090 4.210 4.120 -0.000 0.000 0.276 283 V C -1.221 175.002 176.094 0.216 0.000 1.496 283 V CA -0.969 61.425 62.300 0.158 0.000 0.929 283 V CB 1.986 33.874 31.823 0.108 0.000 1.147 283 V HN -0.239 nan 8.190 nan 0.000 0.449 284 V N 6.231 126.245 119.914 0.167 0.000 2.398 284 V HA 0.599 4.719 4.120 -0.000 0.000 0.286 284 V C -0.316 175.844 176.094 0.110 0.000 1.026 284 V CA -0.501 61.822 62.300 0.038 0.000 0.868 284 V CB 1.619 33.410 31.823 -0.053 0.000 0.982 284 V HN 0.647 nan 8.190 nan 0.000 0.443 285 L N 5.137 126.402 121.223 0.070 0.000 2.325 285 L HA 0.508 4.848 4.340 -0.000 0.000 0.281 285 L C -1.184 175.711 176.870 0.041 0.000 1.004 285 L CA -0.664 54.269 54.840 0.155 0.000 0.823 285 L CB 1.498 43.672 42.059 0.192 0.000 1.236 285 L HN 0.519 nan 8.230 nan 0.000 0.415 286 Y N 1.645 121.921 120.300 -0.039 0.000 2.627 286 Y HA 0.180 4.730 4.550 -0.000 0.000 0.347 286 Y C 1.086 176.973 175.900 -0.023 0.000 1.099 286 Y CA -0.780 57.285 58.100 -0.057 0.000 1.408 286 Y CB 0.279 38.697 38.460 -0.070 0.000 1.247 286 Y HN 0.555 nan 8.280 nan 0.000 0.506 287 S N 2.747 118.489 115.700 0.070 0.000 2.576 287 S HA 0.535 5.005 4.470 -0.000 0.000 0.276 287 S C -0.190 174.445 174.600 0.058 0.000 1.339 287 S CA -0.651 57.589 58.200 0.065 0.000 1.039 287 S CB 1.247 64.476 63.200 0.048 0.000 0.902 287 S HN 0.730 nan 8.310 nan 0.000 0.516 288 E N 0.303 120.535 120.200 0.054 0.000 2.429 288 E HA 0.381 4.731 4.350 -0.000 0.000 0.280 288 E C -2.117 174.502 176.600 0.033 0.000 1.068 288 E CA -1.016 55.408 56.400 0.042 0.000 0.837 288 E CB 0.793 30.520 29.700 0.044 0.000 1.357 288 E HN 0.486 nan 8.360 nan 0.000 0.455 289 D N 1.118 121.531 120.400 0.023 0.000 2.217 289 D HA 0.449 5.089 4.640 -0.000 0.000 0.243 289 D C -0.487 175.813 176.300 0.001 0.000 1.054 289 D CA -0.308 53.701 54.000 0.016 0.000 0.838 289 D CB 2.153 42.962 40.800 0.015 0.000 1.162 289 D HN 0.434 nan 8.370 nan 0.000 0.472 290 V N -0.736 119.172 119.914 -0.011 0.000 2.914 290 V HA 0.409 4.529 4.120 -0.000 0.000 0.314 290 V C 0.099 176.164 176.094 -0.049 0.000 1.084 290 V CA -0.959 61.318 62.300 -0.039 0.000 0.963 290 V CB 2.401 34.189 31.823 -0.059 0.000 1.025 290 V HN 0.326 nan 8.190 nan 0.000 0.432 291 D N 2.857 123.214 120.400 -0.072 0.000 2.671 291 D HA 0.165 4.805 4.640 -0.000 0.000 0.228 291 D C 0.118 176.361 176.300 -0.094 0.000 1.102 291 D CA 0.129 54.090 54.000 -0.065 0.000 1.044 291 D CB 0.110 40.872 40.800 -0.063 0.000 1.113 291 D HN 0.700 nan 8.370 nan 0.000 0.480 292 I N 2.412 122.941 120.570 -0.068 0.000 2.618 292 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 292 I C 0.218 176.319 176.117 -0.027 0.000 1.146 292 I CA 0.221 61.480 61.300 -0.068 0.000 1.425 292 I CB 0.283 38.263 38.000 -0.033 0.000 1.383 292 I HN 0.269 nan 8.210 nan 0.000 0.562 293 E N 3.865 124.057 120.200 -0.014 0.000 2.408 293 E HA 0.461 4.811 4.350 -0.000 0.000 0.275 293 E C -1.306 175.328 176.600 0.056 0.000 0.935 293 E CA -0.922 55.503 56.400 0.042 0.000 0.775 293 E CB 1.735 31.485 29.700 0.083 0.000 1.277 293 E HN 0.456 nan 8.360 nan 0.000 0.455 294 T N -0.992 113.601 114.554 0.064 0.000 3.327 294 T HA 0.315 4.665 4.350 -0.000 0.000 0.373 294 T C -1.790 172.964 174.700 0.090 0.000 1.589 294 T CA -1.424 60.724 62.100 0.079 0.000 1.497 294 T CB 0.819 69.735 68.868 0.079 0.000 1.032 294 T HN 0.331 nan 8.240 nan 0.000 0.640 295 P HA -0.016 nan 4.420 nan 0.000 0.223 295 P C 0.319 177.667 177.300 0.079 0.000 1.151 295 P CA 1.136 64.286 63.100 0.083 0.000 0.787 295 P CB 0.167 31.909 31.700 0.070 0.000 0.788 296 D N -1.329 119.142 120.400 0.117 0.000 2.563 296 D HA 0.070 4.710 4.640 -0.000 0.000 0.237 296 D C 0.205 176.560 176.300 0.092 0.000 1.282 296 D CA -0.245 53.794 54.000 0.064 0.000 0.816 296 D CB -0.318 40.516 40.800 0.057 0.000 1.066 296 D HN 0.142 nan 8.370 nan 0.000 0.501 297 T N -2.670 111.963 114.554 0.132 0.000 2.865 297 T HA 0.624 4.974 4.350 -0.000 0.000 0.294 297 T C -0.591 174.242 174.700 0.223 0.000 1.119 297 T CA -0.863 61.343 62.100 0.177 0.000 1.007 297 T CB 2.493 71.444 68.868 0.138 0.000 1.225 297 T HN 0.307 nan 8.240 nan 0.000 0.515 298 H N -0.469 118.632 119.070 0.051 0.000 2.977 298 H HA 0.544 5.100 4.556 -0.000 0.000 0.350 298 H C -1.157 174.188 175.328 0.028 0.000 1.238 298 H CA -1.440 54.621 56.048 0.022 0.000 1.124 298 H CB 0.756 30.506 29.762 -0.019 0.000 1.866 298 H HN 0.523 nan 8.280 nan 0.000 0.550 299 I N 2.626 123.202 120.570 0.010 0.000 2.452 299 I HA -0.045 4.125 4.170 -0.000 0.000 0.287 299 I C 1.512 177.573 176.117 -0.093 0.000 1.079 299 I CA 0.218 61.487 61.300 -0.052 0.000 1.387 299 I CB 0.983 38.972 38.000 -0.019 0.000 1.404 299 I HN 0.761 nan 8.210 nan 0.000 0.522 300 S N 5.868 121.495 115.700 -0.120 0.000 2.524 300 S HA 0.017 4.487 4.470 -0.000 0.000 0.216 300 S C 0.112 174.756 174.600 0.073 0.000 0.987 300 S CA 0.080 58.232 58.200 -0.079 0.000 0.909 300 S CB -0.037 63.087 63.200 -0.128 0.000 0.781 300 S HN 0.597 nan 8.310 nan 0.000 0.521 301 Y N 1.281 121.536 120.300 -0.075 0.000 2.294 301 Y HA 0.557 5.107 4.550 -0.000 0.000 0.329 301 Y C -1.309 174.562 175.900 -0.047 0.000 1.135 301 Y CA -1.350 56.718 58.100 -0.054 0.000 1.213 301 Y CB 1.017 39.441 38.460 -0.059 0.000 1.141 301 Y HN 0.048 nan 8.280 nan 0.000 0.446 302 M N 9.033 128.314 119.600 -0.532 0.000 2.063 302 M HA 0.334 4.814 4.480 -0.000 0.000 0.348 302 M C -1.981 173.883 176.300 -0.727 0.000 1.180 302 M CA -2.626 52.378 55.300 -0.493 0.000 1.059 302 M CB 1.127 33.582 32.600 -0.242 0.000 1.544 302 M HN 0.455 nan 8.290 nan 0.000 0.447 303 P HA -0.017 nan 4.420 nan 0.000 0.214 303 P C -0.142 177.007 177.300 -0.252 0.000 1.162 303 P CA 1.151 63.956 63.100 -0.493 0.000 0.874 303 P CB 0.360 31.892 31.700 -0.280 0.000 0.784 304 T N -1.084 113.351 114.554 -0.199 0.000 2.907 304 T HA 0.342 4.692 4.350 -0.000 0.000 0.292 304 T C 0.820 175.454 174.700 -0.110 0.000 1.043 304 T CA -0.531 61.493 62.100 -0.128 0.000 1.003 304 T CB 1.751 70.557 68.868 -0.102 0.000 1.084 304 T HN -0.118 nan 8.240 nan 0.000 0.483 305 I N 0.781 121.304 120.570 -0.079 0.000 2.716 305 I HA 0.128 4.298 4.170 -0.000 0.000 0.259 305 I C 0.651 176.739 176.117 -0.048 0.000 1.172 305 I CA 0.511 61.775 61.300 -0.060 0.000 1.478 305 I CB 0.103 38.077 38.000 -0.044 0.000 1.104 305 I HN 0.501 nan 8.210 nan 0.000 0.439 306 K N 2.888 123.261 120.400 -0.046 0.000 2.511 306 K HA -0.041 4.279 4.320 -0.000 0.000 0.280 306 K C -0.022 176.558 176.600 -0.033 0.000 1.008 306 K CA 0.345 56.611 56.287 -0.034 0.000 1.050 306 K CB 0.262 32.743 32.500 -0.032 0.000 0.889 306 K HN 0.312 nan 8.250 nan 0.000 0.484 307 E N 0.677 120.865 120.200 -0.020 0.000 2.371 307 E HA 0.308 4.658 4.350 -0.000 0.000 0.257 307 E C 0.257 176.853 176.600 -0.006 0.000 1.134 307 E CA -0.127 56.265 56.400 -0.014 0.000 0.919 307 E CB 0.823 30.520 29.700 -0.005 0.000 1.025 307 E HN 0.711 nan 8.360 nan 0.000 0.438 308 G N 1.483 110.284 108.800 0.001 0.000 2.719 308 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.686 308 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.686 308 G C -0.816 174.091 174.900 0.012 0.000 1.201 308 G CA -1.007 44.103 45.100 0.017 0.000 0.768 308 G HN 0.450 nan 8.290 nan 0.000 0.629 309 N N 0.519 119.245 118.700 0.043 0.000 2.497 309 N HA 0.575 5.315 4.740 -0.000 0.000 0.268 309 N C 0.577 176.111 175.510 0.039 0.000 1.171 309 N CA 0.711 53.785 53.050 0.040 0.000 0.948 309 N CB 1.448 40.005 38.487 0.117 0.000 1.069 309 N HN 1.276 nan 8.380 nan 0.000 0.460 310 S N 0.469 116.079 115.700 -0.150 0.000 2.638 310 S HA 0.410 4.880 4.470 -0.000 0.000 0.274 310 S C 0.819 174.918 174.600 -0.836 0.000 1.157 310 S CA -0.971 57.043 58.200 -0.309 0.000 0.826 310 S CB 2.390 65.497 63.200 -0.156 0.000 1.139 310 S HN 0.590 nan 8.310 nan 0.000 0.474 311 R N 0.466 120.332 120.500 -1.057 0.000 2.105 311 R HA -0.104 4.236 4.340 -0.000 0.000 0.239 311 R C 1.423 177.362 176.300 -0.601 0.000 1.135 311 R CA 1.785 57.226 56.100 -1.098 0.000 0.967 311 R CB -0.362 29.619 30.300 -0.530 0.000 0.861 311 R HN 0.731 nan 8.270 nan 0.000 0.442 312 E N 0.927 120.898 120.200 -0.381 0.000 2.070 312 E HA -0.232 4.118 4.350 -0.000 0.000 0.197 312 E C 2.009 178.463 176.600 -0.244 0.000 1.004 312 E CA 1.157 57.409 56.400 -0.247 0.000 0.805 312 E CB -0.336 29.260 29.700 -0.174 0.000 0.744 312 E HN 0.445 nan 8.360 nan 0.000 0.451 313 L N 0.289 121.351 121.223 -0.269 0.000 2.450 313 L HA -0.083 4.257 4.340 -0.000 0.000 0.224 313 L C 2.391 179.135 176.870 -0.211 0.000 1.149 313 L CA 0.418 55.130 54.840 -0.214 0.000 0.816 313 L CB -0.294 41.657 42.059 -0.180 0.000 0.932 313 L HN 0.145 nan 8.230 nan 0.000 0.449 314 M N -1.020 118.399 119.600 -0.302 0.000 2.557 314 M HA -0.050 4.430 4.480 -0.000 0.000 0.259 314 M C 1.706 177.901 176.300 -0.175 0.000 1.086 314 M CA 1.070 56.202 55.300 -0.280 0.000 1.096 314 M CB -0.281 32.046 32.600 -0.455 0.000 1.424 314 M HN 0.285 nan 8.290 nan 0.000 0.488 315 G N 0.347 109.072 108.800 -0.124 0.000 3.189 315 G HA2 0.048 4.008 3.960 -0.000 0.000 0.225 315 G HA3 0.048 4.008 3.960 -0.000 0.000 0.225 315 G C 0.329 175.290 174.900 0.101 0.000 1.159 315 G CA -0.397 44.694 45.100 -0.014 0.000 0.763 315 G HN 0.554 nan 8.290 nan 0.000 0.549 316 Q N 0.041 119.853 119.800 0.019 0.000 2.340 316 Q HA 0.480 4.820 4.340 -0.000 0.000 0.249 316 Q C -0.784 175.259 176.000 0.071 0.000 0.957 316 Q CA -0.177 55.649 55.803 0.039 0.000 0.882 316 Q CB 0.941 29.641 28.738 -0.062 0.000 1.235 316 Q HN 0.223 nan 8.270 nan 0.000 0.439 317 Q N 1.014 120.875 119.800 0.103 0.000 2.345 317 Q HA 0.501 4.841 4.340 -0.000 0.000 0.268 317 Q C -1.234 174.764 176.000 -0.004 0.000 1.054 317 Q CA -0.738 55.088 55.803 0.038 0.000 0.835 317 Q CB 2.489 31.241 28.738 0.023 0.000 1.339 317 Q HN 0.716 nan 8.270 nan 0.000 0.447 318 S N 1.664 117.354 115.700 -0.016 0.000 2.537 318 S HA 0.779 5.249 4.470 -0.000 0.000 0.301 318 S C -1.089 173.469 174.600 -0.070 0.000 1.092 318 S CA -0.627 57.578 58.200 0.009 0.000 1.048 318 S CB 0.853 64.172 63.200 0.199 0.000 1.053 318 S HN 0.635 nan 8.310 nan 0.000 0.501 319 M N 5.015 124.538 119.600 -0.128 0.000 2.433 319 M HA 0.536 5.016 4.480 -0.000 0.000 0.290 319 M C -2.774 173.526 176.300 0.001 0.000 1.173 319 M CA -2.136 53.077 55.300 -0.144 0.000 0.905 319 M CB 2.520 34.917 32.600 -0.338 0.000 1.692 319 M HN 0.409 nan 8.290 nan 0.000 0.462 320 P HA 0.084 nan 4.420 nan 0.000 0.271 320 P C -1.217 176.194 177.300 0.184 0.000 1.216 320 P CA -0.067 63.153 63.100 0.200 0.000 0.776 320 P CB 0.332 32.154 31.700 0.204 0.000 0.881 321 N N 2.651 121.451 118.700 0.165 0.000 2.453 321 N HA 0.078 4.818 4.740 -0.000 0.000 0.253 321 N C 0.625 176.108 175.510 -0.045 0.000 1.252 321 N CA 0.034 53.139 53.050 0.092 0.000 0.917 321 N CB 0.177 38.707 38.487 0.073 0.000 1.117 321 N HN 0.295 nan 8.380 nan 0.000 0.442 322 R N 1.818 122.238 120.500 -0.133 0.000 2.570 322 R HA 0.112 4.452 4.340 -0.000 0.000 0.277 322 R C -1.875 174.317 176.300 -0.181 0.000 1.039 322 R CA -0.901 55.074 56.100 -0.208 0.000 1.065 322 R CB -0.075 30.030 30.300 -0.325 0.000 0.964 322 R HN 0.429 nan 8.270 nan 0.000 0.428 323 P HA 0.004 nan 4.420 nan 0.000 0.271 323 P C -0.962 176.174 177.300 -0.274 0.000 1.218 323 P CA -0.110 62.764 63.100 -0.376 0.000 0.780 323 P CB 0.652 32.126 31.700 -0.376 0.000 0.901 324 N N 1.743 120.188 118.700 -0.425 0.000 2.629 324 N HA 0.212 4.952 4.740 -0.000 0.000 0.277 324 N C -1.766 173.579 175.510 -0.275 0.000 1.188 324 N CA -0.410 52.505 53.050 -0.225 0.000 0.835 324 N CB 0.162 38.576 38.487 -0.122 0.000 1.420 324 N HN 0.143 nan 8.380 nan 0.000 0.542 325 Y N 2.751 123.083 120.300 0.053 0.000 2.319 325 Y HA 0.479 5.029 4.550 -0.000 0.000 0.328 325 Y C 0.579 176.586 175.900 0.178 0.000 1.133 325 Y CA -0.104 58.092 58.100 0.160 0.000 1.265 325 Y CB 0.910 39.454 38.460 0.139 0.000 1.218 325 Y HN 0.308 nan 8.280 nan 0.000 0.508 326 I N 2.928 123.738 120.570 0.400 0.000 2.533 326 I HA 0.773 4.943 4.170 -0.000 0.000 0.290 326 I C -0.456 175.619 176.117 -0.071 0.000 1.056 326 I CA -0.691 60.657 61.300 0.080 0.000 1.057 326 I CB 1.745 39.719 38.000 -0.044 0.000 1.240 326 I HN 0.720 nan 8.210 nan 0.000 0.423 327 A N 4.714 127.465 122.820 -0.114 0.000 2.536 327 A HA 0.743 5.063 4.320 -0.000 0.000 0.293 327 A C -1.533 175.945 177.584 -0.177 0.000 1.119 327 A CA -0.552 51.379 52.037 -0.176 0.000 0.654 327 A CB 0.779 19.760 19.000 -0.031 0.000 1.291 327 A HN 0.395 nan 8.150 nan 0.000 0.439 328 F N 1.292 121.223 119.950 -0.033 0.000 2.444 328 F HA 0.472 4.999 4.527 -0.000 0.000 0.331 328 F C 1.547 177.328 175.800 -0.031 0.000 1.167 328 F CA 0.485 58.496 58.000 0.017 0.000 1.262 328 F CB 0.664 39.757 39.000 0.155 0.000 1.196 328 F HN 0.531 nan 8.300 nan 0.000 0.583 329 R N 0.330 120.962 120.500 0.220 0.000 2.649 329 R HA 0.104 4.444 4.340 -0.000 0.000 0.270 329 R C -0.698 175.581 176.300 -0.036 0.000 1.105 329 R CA -0.830 55.320 56.100 0.083 0.000 1.193 329 R CB 0.179 30.546 30.300 0.112 0.000 1.120 329 R HN 0.508 nan 8.270 nan 0.000 0.561 330 D N 0.794 121.174 120.400 -0.034 0.000 2.487 330 D HA -0.082 4.558 4.640 -0.000 0.000 0.243 330 D C -0.315 175.951 176.300 -0.057 0.000 1.154 330 D CA 0.914 54.874 54.000 -0.066 0.000 0.876 330 D CB -0.024 40.764 40.800 -0.018 0.000 1.161 330 D HN 0.599 nan 8.370 nan 0.000 0.478 331 N N 2.761 121.386 118.700 -0.125 0.000 2.714 331 N HA -0.285 4.455 4.740 -0.000 0.000 0.250 331 N C -0.229 175.301 175.510 0.034 0.000 1.117 331 N CA 0.478 53.509 53.050 -0.032 0.000 0.719 331 N CB -1.532 37.032 38.487 0.129 0.000 1.081 331 N HN 0.542 nan 8.380 nan 0.000 0.557 332 F N -1.930 118.063 119.950 0.073 0.000 3.091 332 F HA -0.271 4.256 4.527 -0.000 0.000 0.288 332 F C 0.525 176.372 175.800 0.079 0.000 0.907 332 F CA 0.079 58.112 58.000 0.055 0.000 1.028 332 F CB -1.459 37.544 39.000 0.004 0.000 1.022 332 F HN 0.196 nan 8.300 nan 0.000 0.665 333 I N 0.826 121.514 120.570 0.196 0.000 2.775 333 I HA 0.108 4.278 4.170 -0.000 0.000 0.290 333 I C 1.558 177.788 176.117 0.187 0.000 1.203 333 I CA 1.582 62.986 61.300 0.172 0.000 1.433 333 I CB 0.337 38.408 38.000 0.118 0.000 1.354 333 I HN 0.553 nan 8.210 nan 0.000 0.579 334 G N 4.486 113.387 108.800 0.168 0.000 2.268 334 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.240 334 G C 0.871 175.818 174.900 0.079 0.000 1.010 334 G CA 0.312 45.478 45.100 0.110 0.000 0.618 334 G HN 0.567 nan 8.290 nan 0.000 0.516 335 L N 0.024 121.341 121.223 0.155 0.000 2.046 335 L HA 0.255 4.595 4.340 -0.000 0.000 0.208 335 L C 1.773 178.683 176.870 0.068 0.000 1.077 335 L CA 1.251 56.195 54.840 0.174 0.000 0.747 335 L CB -0.160 42.009 42.059 0.184 0.000 0.896 335 L HN 0.414 nan 8.230 nan 0.000 0.432 336 M N -1.962 117.597 119.600 -0.068 0.000 2.423 336 M HA 0.224 4.704 4.480 -0.000 0.000 0.335 336 M C -1.145 174.949 176.300 -0.343 0.000 1.177 336 M CA -0.508 54.590 55.300 -0.336 0.000 1.038 336 M CB 1.642 33.915 32.600 -0.545 0.000 1.641 336 M HN -0.198 nan 8.290 nan 0.000 0.455 337 Y N 1.644 121.775 120.300 -0.282 0.000 2.335 337 Y HA 0.292 4.841 4.550 -0.000 0.000 0.331 337 Y C -0.921 174.833 175.900 -0.244 0.000 1.094 337 Y CA 0.547 58.536 58.100 -0.185 0.000 1.253 337 Y CB 0.455 38.802 38.460 -0.188 0.000 1.203 337 Y HN 0.392 nan 8.280 nan 0.000 0.508 338 Y N 0.834 121.304 120.300 0.282 0.000 2.562 338 Y HA 0.231 4.781 4.550 -0.000 0.000 0.345 338 Y C -0.059 175.958 175.900 0.195 0.000 1.045 338 Y CA -2.182 56.070 58.100 0.253 0.000 1.028 338 Y CB 1.467 40.099 38.460 0.288 0.000 1.297 338 Y HN 0.642 nan 8.280 nan 0.000 0.463 339 N N 0.168 119.078 118.700 0.349 0.000 2.721 339 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 339 N C -0.910 174.697 175.510 0.161 0.000 1.072 339 N CA 1.140 54.338 53.050 0.246 0.000 0.710 339 N CB -1.317 37.338 38.487 0.280 0.000 0.993 339 N HN 0.413 nan 8.380 nan 0.000 0.547 340 S N -0.605 115.158 115.700 0.104 0.000 2.279 340 S HA 0.223 4.693 4.470 -0.000 0.000 0.176 340 S C 1.323 175.897 174.600 -0.042 0.000 1.554 340 S CA -0.379 57.855 58.200 0.057 0.000 1.242 340 S CB 1.060 64.342 63.200 0.138 0.000 1.163 340 S HN 0.325 nan 8.310 nan 0.000 0.449 341 T N 0.957 115.486 114.554 -0.041 0.000 2.774 341 T HA -0.264 4.086 4.350 -0.000 0.000 0.264 341 T C 2.096 176.726 174.700 -0.116 0.000 1.037 341 T CA 1.991 64.043 62.100 -0.079 0.000 1.152 341 T CB -0.656 68.182 68.868 -0.051 0.000 0.842 341 T HN 0.682 nan 8.240 nan 0.000 0.483 342 G N 2.253 110.990 108.800 -0.105 0.000 2.446 342 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 342 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 342 G C 0.921 175.681 174.900 -0.232 0.000 1.168 342 G CA 0.615 45.635 45.100 -0.133 0.000 0.771 342 G HN 0.627 nan 8.290 nan 0.000 0.551 343 N N 0.179 118.677 118.700 -0.336 0.000 2.757 343 N HA 0.224 4.964 4.740 -0.000 0.000 0.296 343 N C -0.713 174.515 175.510 -0.470 0.000 1.874 343 N CA -0.195 52.558 53.050 -0.496 0.000 0.885 343 N CB 1.076 38.983 38.487 -0.967 0.000 1.242 343 N HN 0.239 nan 8.380 nan 0.000 0.488 344 M N 1.139 120.500 119.600 -0.400 0.000 2.200 344 M HA 0.244 4.724 4.480 -0.000 0.000 0.355 344 M C 0.906 176.780 176.300 -0.710 0.000 1.283 344 M CA -0.114 54.899 55.300 -0.478 0.000 1.124 344 M CB 0.689 33.089 32.600 -0.333 0.000 1.625 344 M HN 0.305 nan 8.290 nan 0.000 0.463 345 G N 3.260 111.325 108.800 -1.225 0.000 2.647 345 G HA2 0.421 4.381 3.960 -0.000 0.000 0.271 345 G HA3 0.421 4.381 3.960 -0.000 0.000 0.271 345 G C -1.058 173.408 174.900 -0.723 0.000 1.300 345 G CA -0.613 43.457 45.100 -1.716 0.000 0.997 345 G HN 0.664 nan 8.290 nan 0.000 0.533 346 V N -0.288 119.445 119.914 -0.303 0.000 2.888 346 V HA 0.543 4.663 4.120 -0.000 0.000 0.309 346 V C -0.892 175.397 176.094 0.325 0.000 1.114 346 V CA -0.518 61.791 62.300 0.015 0.000 0.940 346 V CB 1.896 33.718 31.823 -0.001 0.000 1.021 346 V HN 0.771 nan 8.190 nan 0.000 0.426 347 L N 4.130 125.510 121.223 0.261 0.000 2.422 347 L HA 0.868 5.208 4.340 -0.000 0.000 0.263 347 L C -0.446 176.534 176.870 0.184 0.000 1.372 347 L CA 0.242 55.243 54.840 0.269 0.000 0.857 347 L CB 0.667 42.862 42.059 0.228 0.000 1.024 347 L HN 0.887 nan 8.230 nan 0.000 0.507 348 A N 0.976 123.921 122.820 0.208 0.000 2.479 348 A HA 0.930 5.250 4.320 -0.000 0.000 0.296 348 A C -0.046 177.688 177.584 0.250 0.000 1.121 348 A CA -0.290 51.873 52.037 0.210 0.000 0.743 348 A CB 1.299 20.382 19.000 0.138 0.000 1.323 348 A HN 0.739 nan 8.150 nan 0.000 0.415 349 G N -0.199 108.727 108.800 0.211 0.000 2.349 349 G HA2 0.420 4.380 3.960 -0.000 0.000 0.281 349 G HA3 0.420 4.380 3.960 -0.000 0.000 0.281 349 G C 0.387 175.276 174.900 -0.017 0.000 1.182 349 G CA -0.158 44.948 45.100 0.009 0.000 0.899 349 G HN 0.823 nan 8.290 nan 0.000 0.455 350 Q N 1.588 121.365 119.800 -0.038 0.000 2.274 350 Q HA -0.376 3.964 4.340 -0.000 0.000 0.217 350 Q C 2.717 178.704 176.000 -0.023 0.000 1.008 350 Q CA 2.185 57.977 55.803 -0.020 0.000 0.925 350 Q CB -0.138 28.581 28.738 -0.032 0.000 0.957 350 Q HN 0.710 nan 8.270 nan 0.000 0.416 351 A N -0.057 122.737 122.820 -0.045 0.000 1.874 351 A HA -0.120 4.200 4.320 -0.000 0.000 0.214 351 A C 2.108 179.687 177.584 -0.007 0.000 1.189 351 A CA 1.310 53.328 52.037 -0.031 0.000 0.615 351 A CB -0.657 18.314 19.000 -0.048 0.000 0.830 351 A HN 0.338 nan 8.150 nan 0.000 0.443 352 S N -2.052 113.651 115.700 0.005 0.000 2.383 352 S HA -0.279 4.191 4.470 -0.000 0.000 0.229 352 S C 1.564 176.188 174.600 0.039 0.000 1.030 352 S CA 1.914 60.136 58.200 0.036 0.000 1.002 352 S CB -0.319 62.922 63.200 0.069 0.000 0.829 352 S HN 0.517 nan 8.310 nan 0.000 0.467 353 Q N -1.157 118.665 119.800 0.037 0.000 2.152 353 Q HA -0.208 4.132 4.340 -0.000 0.000 0.151 353 Q C -0.127 175.899 176.000 0.044 0.000 0.711 353 Q CA 1.220 57.044 55.803 0.034 0.000 1.423 353 Q CB -1.559 27.190 28.738 0.019 0.000 1.466 353 Q HN 0.532 nan 8.270 nan 0.000 0.901 354 L N 2.687 123.945 121.223 0.057 0.000 2.410 354 L HA 0.186 4.526 4.340 -0.000 0.000 0.273 354 L C 0.526 177.446 176.870 0.083 0.000 1.144 354 L CA 0.838 55.718 54.840 0.066 0.000 0.863 354 L CB 0.385 42.491 42.059 0.078 0.000 1.140 354 L HN 0.218 nan 8.230 nan 0.000 0.463 355 N N 3.190 121.931 118.700 0.069 0.000 2.405 355 N HA 0.120 4.860 4.740 -0.000 0.000 0.260 355 N C 0.893 176.474 175.510 0.119 0.000 1.152 355 N CA 0.133 53.228 53.050 0.075 0.000 0.948 355 N CB 1.065 39.566 38.487 0.024 0.000 1.111 355 N HN 0.779 nan 8.380 nan 0.000 0.485 356 A N 3.732 126.643 122.820 0.152 0.000 2.119 356 A HA 0.033 4.353 4.320 -0.000 0.000 0.217 356 A C 0.641 178.408 177.584 0.306 0.000 1.153 356 A CA 0.461 52.625 52.037 0.212 0.000 0.692 356 A CB 0.212 19.309 19.000 0.161 0.000 0.799 356 A HN 0.462 nan 8.150 nan 0.000 0.458 357 V N 0.995 121.030 119.914 0.201 0.000 2.406 357 V HA 0.361 4.481 4.120 -0.000 0.000 0.272 357 V C -0.577 175.505 176.094 -0.021 0.000 1.043 357 V CA -0.186 62.205 62.300 0.152 0.000 0.915 357 V CB 1.251 33.064 31.823 -0.017 0.000 0.988 357 V HN 0.086 nan 8.190 nan 0.000 0.466 358 V N 4.461 124.288 119.914 -0.144 0.000 2.419 358 V HA 0.442 4.562 4.120 -0.000 0.000 0.287 358 V C -0.555 175.368 176.094 -0.285 0.000 1.017 358 V CA -0.549 61.524 62.300 -0.379 0.000 0.844 358 V CB 1.648 33.020 31.823 -0.750 0.000 1.011 358 V HN 0.824 nan 8.190 nan 0.000 0.429 359 D N 3.315 123.622 120.400 -0.154 0.000 2.326 359 D HA 0.770 5.410 4.640 -0.000 0.000 0.248 359 D C -0.862 175.461 176.300 0.039 0.000 1.001 359 D CA -0.269 53.743 54.000 0.019 0.000 0.961 359 D CB 2.247 43.007 40.800 -0.067 0.000 1.183 359 D HN 0.350 nan 8.370 nan 0.000 0.502 360 L N 1.023 122.326 121.223 0.135 0.000 2.388 360 L HA 0.331 4.671 4.340 -0.000 0.000 0.264 360 L C 1.014 177.963 176.870 0.131 0.000 0.998 360 L CA -0.667 54.238 54.840 0.108 0.000 0.817 360 L CB 2.220 44.355 42.059 0.127 0.000 1.338 360 L HN 0.387 nan 8.230 nan 0.000 0.414 361 Q N -1.006 118.851 119.800 0.095 0.000 2.415 361 Q HA -0.045 4.295 4.340 -0.000 0.000 0.206 361 Q C 0.174 176.244 176.000 0.118 0.000 0.946 361 Q CA 0.510 56.375 55.803 0.103 0.000 0.951 361 Q CB 0.212 28.986 28.738 0.060 0.000 1.026 361 Q HN 0.597 nan 8.270 nan 0.000 0.510 362 D N 0.834 121.309 120.400 0.125 0.000 2.354 362 D HA 0.038 4.678 4.640 -0.000 0.000 0.209 362 D C -0.039 176.360 176.300 0.165 0.000 1.015 362 D CA 0.062 54.140 54.000 0.130 0.000 0.867 362 D CB 0.404 41.270 40.800 0.111 0.000 0.933 362 D HN 0.222 nan 8.370 nan 0.000 0.520 363 R N 0.317 120.930 120.500 0.188 0.000 2.573 363 R HA 0.301 4.641 4.340 -0.000 0.000 0.272 363 R C -0.709 175.718 176.300 0.211 0.000 1.009 363 R CA -0.516 55.703 56.100 0.199 0.000 1.059 363 R CB 0.680 31.135 30.300 0.258 0.000 1.112 363 R HN -0.202 nan 8.270 nan 0.000 0.517 364 N N 1.264 120.058 118.700 0.157 0.000 2.746 364 N HA 0.126 4.866 4.740 -0.000 0.000 0.250 364 N C -0.374 175.176 175.510 0.067 0.000 1.146 364 N CA -0.190 52.922 53.050 0.103 0.000 0.828 364 N CB 1.425 39.899 38.487 -0.021 0.000 1.158 364 N HN 0.572 nan 8.380 nan 0.000 0.519 365 T N 0.907 115.519 114.554 0.096 0.000 2.746 365 T HA -0.080 4.270 4.350 -0.000 0.000 0.267 365 T C 1.353 176.005 174.700 -0.080 0.000 1.039 365 T CA 1.118 63.212 62.100 -0.010 0.000 1.142 365 T CB 0.208 68.986 68.868 -0.150 0.000 0.866 365 T HN 0.443 nan 8.240 nan 0.000 0.444 366 E N 0.867 121.037 120.200 -0.050 0.000 2.051 366 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 366 E C 2.257 178.865 176.600 0.014 0.000 0.991 366 E CA 0.830 57.226 56.400 -0.006 0.000 0.799 366 E CB -0.483 29.254 29.700 0.063 0.000 0.748 366 E HN 0.301 nan 8.360 nan 0.000 0.449 367 L N 1.079 122.280 121.223 -0.037 0.000 2.093 367 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 367 L C 2.482 179.338 176.870 -0.023 0.000 1.085 367 L CA 1.663 56.464 54.840 -0.065 0.000 0.755 367 L CB -0.682 41.319 42.059 -0.097 0.000 0.904 367 L HN -0.019 nan 8.230 nan 0.000 0.435 368 S N -1.682 114.029 115.700 0.019 0.000 2.383 368 S HA -0.303 4.167 4.470 -0.000 0.000 0.229 368 S C 2.109 176.742 174.600 0.056 0.000 1.030 368 S CA 1.595 59.835 58.200 0.066 0.000 1.002 368 S CB -0.595 62.641 63.200 0.061 0.000 0.829 368 S HN 0.651 nan 8.310 nan 0.000 0.467 369 Y N 1.394 121.643 120.300 -0.085 0.000 2.314 369 Y HA -0.012 4.538 4.550 -0.000 0.000 0.293 369 Y C 2.570 178.402 175.900 -0.114 0.000 1.129 369 Y CA 1.504 59.537 58.100 -0.112 0.000 1.201 369 Y CB -0.143 38.245 38.460 -0.121 0.000 0.999 369 Y HN 0.266 nan 8.280 nan 0.000 0.541 370 Q N 0.251 120.040 119.800 -0.018 0.000 2.050 370 Q HA -0.164 4.176 4.340 -0.000 0.000 0.202 370 Q C 2.340 178.261 176.000 -0.133 0.000 0.980 370 Q CA 1.677 57.437 55.803 -0.071 0.000 0.840 370 Q CB -0.509 28.159 28.738 -0.116 0.000 0.898 370 Q HN 0.541 nan 8.270 nan 0.000 0.424 371 L N 0.263 121.376 121.223 -0.183 0.000 2.156 371 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 371 L C 2.412 179.030 176.870 -0.421 0.000 1.095 371 L CA 0.362 55.112 54.840 -0.150 0.000 0.770 371 L CB -0.489 41.588 42.059 0.030 0.000 0.914 371 L HN 0.184 nan 8.230 nan 0.000 0.439 372 L N 0.175 120.992 121.223 -0.677 0.000 2.017 372 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 372 L C 2.353 178.865 176.870 -0.596 0.000 1.073 372 L CA 1.731 55.960 54.840 -1.017 0.000 0.745 372 L CB -0.392 41.253 42.059 -0.691 0.000 0.894 372 L HN 0.090 nan 8.230 nan 0.000 0.432 373 L N -0.456 120.482 121.223 -0.474 0.000 2.083 373 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 373 L C 2.280 179.056 176.870 -0.157 0.000 1.083 373 L CA 1.621 56.275 54.840 -0.311 0.000 0.752 373 L CB -0.756 41.135 42.059 -0.281 0.000 0.899 373 L HN 0.397 nan 8.230 nan 0.000 0.433 374 D N -0.368 119.984 120.400 -0.081 0.000 2.178 374 D HA -0.177 4.463 4.640 -0.000 0.000 0.201 374 D C 2.235 178.522 176.300 -0.022 0.000 0.980 374 D CA 1.358 55.362 54.000 0.007 0.000 0.842 374 D CB 0.168 41.093 40.800 0.209 0.000 0.948 374 D HN 0.299 nan 8.370 nan 0.000 0.472 375 S N -0.286 115.357 115.700 -0.095 0.000 2.446 375 S HA -0.073 4.397 4.470 -0.000 0.000 0.225 375 S C 1.942 176.520 174.600 -0.037 0.000 1.016 375 S CA 0.548 58.723 58.200 -0.042 0.000 0.943 375 S CB -0.625 62.543 63.200 -0.053 0.000 0.786 375 S HN 0.546 nan 8.310 nan 0.000 0.508 376 I N -2.026 118.491 120.570 -0.088 0.000 3.941 376 I HA 0.653 4.823 4.170 -0.000 0.000 0.335 376 I C 0.615 176.709 176.117 -0.038 0.000 1.402 376 I CA -0.450 60.817 61.300 -0.055 0.000 1.112 376 I CB 0.171 38.125 38.000 -0.077 0.000 1.043 376 I HN 0.326 nan 8.210 nan 0.000 0.395 377 G N 0.525 109.304 108.800 -0.034 0.000 2.488 377 G HA2 0.124 4.084 3.960 -0.000 0.000 0.301 377 G HA3 0.124 4.084 3.960 -0.000 0.000 0.301 377 G C -2.061 172.827 174.900 -0.021 0.000 1.339 377 G CA -0.463 44.623 45.100 -0.023 0.000 0.803 377 G HN 0.023 nan 8.290 nan 0.000 0.482 378 D N -0.175 120.212 120.400 -0.022 0.000 2.468 378 D HA 0.274 4.914 4.640 -0.000 0.000 0.218 378 D C 1.358 177.641 176.300 -0.028 0.000 1.155 378 D CA -0.666 53.316 54.000 -0.031 0.000 0.924 378 D CB 1.266 42.043 40.800 -0.039 0.000 1.029 378 D HN 0.272 nan 8.370 nan 0.000 0.515 379 R N 1.302 121.780 120.500 -0.036 0.000 2.377 379 R HA -0.071 4.269 4.340 -0.000 0.000 0.207 379 R C 1.800 178.096 176.300 -0.007 0.000 1.075 379 R CA 1.154 57.243 56.100 -0.020 0.000 1.035 379 R CB -0.603 29.659 30.300 -0.064 0.000 0.857 379 R HN 0.447 nan 8.270 nan 0.000 0.475 380 T N -2.856 111.670 114.554 -0.046 0.000 3.081 380 T HA 0.177 4.527 4.350 -0.000 0.000 0.255 380 T C 0.713 175.317 174.700 -0.159 0.000 1.113 380 T CA -0.132 61.922 62.100 -0.077 0.000 1.082 380 T CB 0.102 68.901 68.868 -0.115 0.000 0.939 380 T HN -0.063 nan 8.240 nan 0.000 0.506 381 R N 1.137 121.582 120.500 -0.092 0.000 2.410 381 R HA 0.395 4.735 4.340 -0.000 0.000 0.288 381 R C -0.958 175.396 176.300 0.089 0.000 1.051 381 R CA -0.503 55.520 56.100 -0.128 0.000 1.021 381 R CB 0.525 30.781 30.300 -0.073 0.000 1.032 381 R HN 0.278 nan 8.270 nan 0.000 0.481 382 Y N 1.778 122.003 120.300 -0.126 0.000 2.352 382 Y HA 0.371 4.921 4.550 -0.000 0.000 0.326 382 Y C -0.036 175.908 175.900 0.073 0.000 1.166 382 Y CA -1.384 56.630 58.100 -0.143 0.000 1.182 382 Y CB 0.928 39.054 38.460 -0.556 0.000 1.216 382 Y HN 0.461 nan 8.280 nan 0.000 0.474 383 F N 2.266 122.290 119.950 0.123 0.000 2.828 383 F HA 0.192 4.719 4.527 -0.000 0.000 0.355 383 F C 0.876 176.720 175.800 0.074 0.000 1.200 383 F CA -0.599 57.448 58.000 0.078 0.000 1.062 383 F CB 1.440 40.486 39.000 0.075 0.000 1.351 383 F HN 0.562 nan 8.300 nan 0.000 0.504 384 S N 4.919 120.759 115.700 0.233 0.000 2.400 384 S HA -0.260 4.210 4.470 -0.000 0.000 0.232 384 S C 1.954 176.350 174.600 -0.340 0.000 1.025 384 S CA 1.346 59.555 58.200 0.015 0.000 0.993 384 S CB -0.264 62.992 63.200 0.094 0.000 0.808 384 S HN 0.907 nan 8.310 nan 0.000 0.478 385 M N -0.016 119.063 119.600 -0.869 0.000 2.082 385 M HA -0.070 4.410 4.480 -0.000 0.000 0.258 385 M C 1.151 176.972 176.300 -0.798 0.000 1.069 385 M CA 1.853 56.496 55.300 -1.095 0.000 1.102 385 M CB -0.216 31.339 32.600 -1.743 0.000 1.336 385 M HN 0.552 nan 8.290 nan 0.000 0.404 386 W N -0.366 120.553 121.300 -0.634 0.000 3.316 386 W HA 0.224 4.884 4.660 -0.000 0.000 0.327 386 W C 0.442 176.726 176.519 -0.392 0.000 1.232 386 W CA -0.666 56.530 57.345 -0.248 0.000 1.805 386 W CB -0.111 29.241 29.460 -0.180 0.000 1.090 386 W HN 0.360 nan 8.180 nan 0.000 0.654 387 N N 1.412 119.943 118.700 -0.282 0.000 2.754 387 N HA -0.259 4.481 4.740 -0.000 0.000 0.248 387 N C -0.033 175.339 175.510 -0.228 0.000 1.093 387 N CA 0.692 53.475 53.050 -0.445 0.000 0.699 387 N CB -1.112 36.594 38.487 -1.302 0.000 1.016 387 N HN 0.335 nan 8.380 nan 0.000 0.552 388 Q N 0.269 120.043 119.800 -0.043 0.000 2.534 388 Q HA 0.495 4.835 4.340 -0.000 0.000 0.223 388 Q C -0.862 175.141 176.000 0.006 0.000 1.239 388 Q CA 0.263 56.108 55.803 0.069 0.000 0.936 388 Q CB 0.081 28.976 28.738 0.262 0.000 1.457 388 Q HN 0.408 nan 8.270 nan 0.000 0.547 389 A N 3.959 126.698 122.820 -0.135 0.000 2.679 389 A HA 0.269 4.589 4.320 -0.000 0.000 0.288 389 A C -0.880 176.581 177.584 -0.205 0.000 1.160 389 A CA -0.572 51.198 52.037 -0.446 0.000 0.763 389 A CB 1.114 19.596 19.000 -0.863 0.000 1.270 389 A HN 0.511 nan 8.150 nan 0.000 0.417 390 V N 2.636 122.538 119.914 -0.021 0.000 2.788 390 V HA 0.049 4.169 4.120 -0.000 0.000 0.307 390 V C 0.087 176.200 176.094 0.032 0.000 1.069 390 V CA 0.298 62.612 62.300 0.025 0.000 1.173 390 V CB 0.497 32.352 31.823 0.053 0.000 0.925 390 V HN 0.813 nan 8.190 nan 0.000 0.492 391 D N 4.373 124.792 120.400 0.033 0.000 2.389 391 D HA 0.391 5.031 4.640 -0.000 0.000 0.247 391 D C 0.032 176.478 176.300 0.242 0.000 1.128 391 D CA 0.511 54.576 54.000 0.107 0.000 0.884 391 D CB 1.353 42.164 40.800 0.018 0.000 1.194 391 D HN 0.831 nan 8.370 nan 0.000 0.441 392 S N 1.027 116.920 115.700 0.321 0.000 2.688 392 S HA 0.724 5.194 4.470 -0.000 0.000 0.275 392 S C -1.121 173.517 174.600 0.064 0.000 1.175 392 S CA -0.991 57.322 58.200 0.189 0.000 0.818 392 S CB 1.593 64.792 63.200 -0.002 0.000 1.157 392 S HN 0.547 nan 8.310 nan 0.000 0.482 393 Y N -1.092 119.129 120.300 -0.133 0.000 2.644 393 Y HA 0.744 5.294 4.550 -0.000 0.000 0.338 393 Y C -1.085 174.681 175.900 -0.224 0.000 1.119 393 Y CA -1.216 56.710 58.100 -0.290 0.000 1.060 393 Y CB 0.653 38.784 38.460 -0.548 0.000 1.294 393 Y HN 0.617 nan 8.280 nan 0.000 0.472 394 D N 2.064 122.479 120.400 0.024 0.000 2.343 394 D HA 0.239 4.879 4.640 -0.000 0.000 0.255 394 D C -1.907 174.467 176.300 0.123 0.000 1.187 394 D CA -2.290 51.722 54.000 0.019 0.000 0.875 394 D CB 1.733 42.509 40.800 -0.040 0.000 1.136 394 D HN 0.357 nan 8.370 nan 0.000 0.469 395 P HA -0.099 nan 4.420 nan 0.000 0.216 395 P C 0.510 177.855 177.300 0.077 0.000 1.150 395 P CA 0.881 64.055 63.100 0.123 0.000 0.837 395 P CB 0.326 32.056 31.700 0.051 0.000 0.786 396 D N -1.447 119.007 120.400 0.091 0.000 2.348 396 D HA -0.037 4.603 4.640 -0.000 0.000 0.216 396 D C 1.717 178.129 176.300 0.186 0.000 0.970 396 D CA 0.698 54.785 54.000 0.144 0.000 0.889 396 D CB 0.022 40.919 40.800 0.162 0.000 0.912 396 D HN 0.095 nan 8.370 nan 0.000 0.524 397 V N 0.434 120.378 119.914 0.050 0.000 2.575 397 V HA -0.056 4.064 4.120 -0.000 0.000 0.242 397 V C 2.379 178.338 176.094 -0.224 0.000 1.045 397 V CA 0.597 62.825 62.300 -0.120 0.000 1.065 397 V CB -0.041 31.552 31.823 -0.383 0.000 0.717 397 V HN -0.028 nan 8.190 nan 0.000 0.467 398 R N 0.737 121.064 120.500 -0.288 0.000 2.075 398 R HA 0.068 4.408 4.340 -0.000 0.000 0.232 398 R C 0.607 176.766 176.300 -0.235 0.000 1.126 398 R CA 1.529 57.378 56.100 -0.418 0.000 0.963 398 R CB -0.156 29.751 30.300 -0.656 0.000 0.858 398 R HN 0.455 nan 8.270 nan 0.000 0.435 399 I N 1.595 122.097 120.570 -0.114 0.000 2.411 399 I HA 0.270 4.440 4.170 -0.000 0.000 0.284 399 I C -0.626 175.511 176.117 0.032 0.000 1.012 399 I CA -0.760 60.502 61.300 -0.063 0.000 1.119 399 I CB 1.951 39.918 38.000 -0.055 0.000 1.261 399 I HN -0.021 nan 8.210 nan 0.000 0.448 400 I N 5.882 126.495 120.570 0.071 0.000 2.517 400 I HA 0.080 4.250 4.170 -0.000 0.000 0.285 400 I C 0.652 176.879 176.117 0.184 0.000 1.106 400 I CA 0.309 61.711 61.300 0.169 0.000 1.402 400 I CB 0.395 38.506 38.000 0.185 0.000 1.399 400 I HN 0.616 nan 8.210 nan 0.000 0.535 401 E N 6.686 126.995 120.200 0.182 0.000 2.173 401 E HA 0.109 4.459 4.350 -0.000 0.000 0.249 401 E C -0.672 175.951 176.600 0.038 0.000 0.923 401 E CA -0.505 55.964 56.400 0.116 0.000 0.754 401 E CB 0.589 30.342 29.700 0.090 0.000 1.177 401 E HN 0.430 nan 8.360 nan 0.000 0.430 402 N N 2.858 121.623 118.700 0.109 0.000 2.719 402 N HA -0.008 4.732 4.740 -0.000 0.000 0.243 402 N C -0.157 175.309 175.510 -0.073 0.000 1.104 402 N CA -0.116 52.976 53.050 0.069 0.000 0.981 402 N CB 0.085 38.739 38.487 0.278 0.000 1.290 402 N HN 0.500 nan 8.380 nan 0.000 0.513 403 H N 1.227 120.208 119.070 -0.147 0.000 2.538 403 H HA 0.439 4.995 4.556 -0.000 0.000 0.286 403 H C 1.259 176.472 175.328 -0.191 0.000 1.035 403 H CA -0.165 55.798 56.048 -0.142 0.000 1.169 403 H CB -0.210 29.464 29.762 -0.146 0.000 1.417 403 H HN 0.509 nan 8.280 nan 0.000 0.567 404 G N 0.727 109.381 108.800 -0.243 0.000 2.542 404 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.235 404 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.235 404 G C -0.159 174.537 174.900 -0.340 0.000 1.286 404 G CA -0.011 44.972 45.100 -0.195 0.000 0.904 404 G HN 1.092 nan 8.290 nan 0.000 0.577 405 T N -2.518 111.945 114.554 -0.152 0.000 2.909 405 T HA 0.692 5.042 4.350 -0.000 0.000 0.299 405 T C -0.581 174.081 174.700 -0.062 0.000 1.073 405 T CA -0.216 61.806 62.100 -0.130 0.000 0.999 405 T CB 2.321 71.154 68.868 -0.058 0.000 1.098 405 T HN 0.693 nan 8.240 nan 0.000 0.477 406 E N 2.270 122.434 120.200 -0.059 0.000 1.932 406 E HA 0.186 4.536 4.350 -0.000 0.000 0.259 406 E C -0.327 176.247 176.600 -0.043 0.000 1.099 406 E CA -0.479 55.892 56.400 -0.048 0.000 0.970 406 E CB 0.123 29.791 29.700 -0.053 0.000 1.143 406 E HN 0.700 nan 8.360 nan 0.000 0.441 407 D N 1.380 121.757 120.400 -0.039 0.000 2.643 407 D HA 0.017 4.657 4.640 -0.000 0.000 0.244 407 D C 0.596 176.866 176.300 -0.050 0.000 1.257 407 D CA -0.251 53.722 54.000 -0.046 0.000 0.831 407 D CB 0.371 41.146 40.800 -0.041 0.000 1.043 407 D HN 0.090 nan 8.370 nan 0.000 0.488 408 E N 0.323 120.498 120.200 -0.042 0.000 2.058 408 E HA -0.002 4.348 4.350 -0.000 0.000 0.194 408 E C 0.576 177.151 176.600 -0.041 0.000 0.997 408 E CA 0.846 57.224 56.400 -0.036 0.000 0.801 408 E CB 0.072 29.755 29.700 -0.029 0.000 0.746 408 E HN 0.423 nan 8.360 nan 0.000 0.450 409 L N 2.485 123.680 121.223 -0.047 0.000 2.326 409 L HA 0.285 4.625 4.340 -0.000 0.000 0.278 409 L C -1.969 174.834 176.870 -0.112 0.000 1.092 409 L CA -2.078 52.730 54.840 -0.053 0.000 0.810 409 L CB 0.596 42.634 42.059 -0.034 0.000 1.153 409 L HN 0.037 nan 8.230 nan 0.000 0.439 410 P HA 0.175 nan 4.420 nan 0.000 0.277 410 P C -1.476 175.495 177.300 -0.549 0.000 1.240 410 P CA -0.534 62.342 63.100 -0.375 0.000 0.798 410 P CB 0.843 32.294 31.700 -0.416 0.000 0.979 411 N N 1.162 119.487 118.700 -0.625 0.000 2.372 411 N HA 0.413 5.153 4.740 -0.000 0.000 0.285 411 N C -1.000 174.134 175.510 -0.627 0.000 1.008 411 N CA -0.476 52.286 53.050 -0.480 0.000 0.880 411 N CB 1.068 39.412 38.487 -0.239 0.000 1.239 411 N HN 0.408 nan 8.380 nan 0.000 0.484 412 Y N -0.127 120.057 120.300 -0.194 0.000 2.602 412 Y HA 0.640 5.190 4.550 -0.000 0.000 0.342 412 Y C 0.175 175.716 175.900 -0.599 0.000 1.029 412 Y CA -1.242 56.582 58.100 -0.460 0.000 1.080 412 Y CB 1.183 39.209 38.460 -0.722 0.000 1.284 412 Y HN 0.481 nan 8.280 nan 0.000 0.485 413 C N -0.111 118.865 119.300 -0.540 0.000 2.507 413 C HA 0.897 5.357 4.460 -0.000 0.000 0.319 413 C C -0.974 173.602 174.990 -0.690 0.000 1.208 413 C CA -1.137 57.631 59.018 -0.417 0.000 1.619 413 C CB -0.408 27.227 27.740 -0.176 0.000 2.230 413 C HN 0.632 nan 8.230 nan 0.000 0.492 414 F N 0.198 120.137 119.950 -0.018 0.000 2.639 414 F HA 0.755 5.282 4.527 -0.000 0.000 0.339 414 F C -2.034 173.763 175.800 -0.005 0.000 1.071 414 F CA -2.320 55.657 58.000 -0.038 0.000 0.994 414 F CB 0.243 39.212 39.000 -0.052 0.000 1.341 414 F HN 0.362 nan 8.300 nan 0.000 0.498 415 P HA 0.210 nan 4.420 nan 0.000 0.269 415 P C 0.723 178.032 177.300 0.014 0.000 1.215 415 P CA -0.084 63.102 63.100 0.143 0.000 0.780 415 P CB 0.624 32.415 31.700 0.152 0.000 0.898 416 L N 1.112 122.318 121.223 -0.027 0.000 2.083 416 L HA -0.124 4.216 4.340 -0.000 0.000 0.209 416 L C 2.481 178.997 176.870 -0.588 0.000 1.083 416 L CA 1.909 56.652 54.840 -0.162 0.000 0.752 416 L CB -1.169 40.883 42.059 -0.012 0.000 0.899 416 L HN 0.599 nan 8.230 nan 0.000 0.433 417 G N -0.863 107.462 108.800 -0.791 0.000 2.422 417 G HA2 0.027 3.987 3.960 -0.000 0.000 0.218 417 G HA3 0.027 3.987 3.960 -0.000 0.000 0.218 417 G C 1.303 175.723 174.900 -0.800 0.000 1.146 417 G CA 0.922 45.024 45.100 -1.664 0.000 0.769 417 G HN 0.579 nan 8.290 nan 0.000 0.547 418 G N -2.505 106.072 108.800 -0.371 0.000 2.184 418 G HA2 0.095 4.055 3.960 -0.000 0.000 0.206 418 G HA3 0.095 4.055 3.960 -0.000 0.000 0.206 418 G C 0.002 174.840 174.900 -0.104 0.000 0.995 418 G CA 0.345 45.314 45.100 -0.218 0.000 0.651 418 G HN 1.565 nan 8.290 nan 0.000 0.511 419 V N -0.527 119.353 119.914 -0.056 0.000 3.121 419 V HA 0.626 4.746 4.120 -0.000 0.000 0.263 419 V C -0.297 175.854 176.094 0.094 0.000 1.795 419 V CA 0.164 62.490 62.300 0.044 0.000 0.979 419 V CB 1.762 33.605 31.823 0.032 0.000 1.335 419 V HN 0.650 nan 8.190 nan 0.000 0.462 420 I N 1.957 122.599 120.570 0.119 0.000 4.922 420 I HA 0.359 4.529 4.170 -0.000 0.000 0.331 420 I C 0.295 176.449 176.117 0.061 0.000 1.260 420 I CA 0.053 61.423 61.300 0.116 0.000 1.366 420 I CB 0.760 38.826 38.000 0.111 0.000 1.386 420 I HN 0.677 nan 8.210 nan 0.000 0.483 421 N N 3.301 122.024 118.700 0.038 0.000 3.250 421 N HA 0.120 4.860 4.740 -0.000 0.000 0.307 421 N C -0.164 175.359 175.510 0.022 0.000 1.355 421 N CA 0.207 53.261 53.050 0.007 0.000 1.192 421 N CB 0.006 38.485 38.487 -0.013 0.000 1.478 421 N HN 0.366 nan 8.380 nan 0.000 0.543 422 T N -1.649 112.924 114.554 0.032 0.000 2.899 422 T HA 0.305 4.655 4.350 -0.000 0.000 0.295 422 T C 0.311 175.018 174.700 0.010 0.000 1.033 422 T CA -0.741 61.373 62.100 0.025 0.000 1.084 422 T CB 1.543 70.431 68.868 0.034 0.000 0.979 422 T HN 0.383 nan 8.240 nan 0.000 0.532 423 E N 0.835 121.037 120.200 0.004 0.000 2.212 423 E HA 0.414 4.764 4.350 -0.000 0.000 0.268 423 E C -1.140 175.456 176.600 -0.007 0.000 0.902 423 E CA -1.027 55.371 56.400 -0.003 0.000 0.779 423 E CB 1.347 31.045 29.700 -0.003 0.000 1.172 423 E HN 0.514 nan 8.360 nan 0.000 0.409 424 T N 3.963 118.512 114.554 -0.009 0.000 2.779 424 T HA 0.296 4.646 4.350 -0.000 0.000 0.296 424 T C 0.017 174.710 174.700 -0.011 0.000 0.938 424 T CA -0.116 61.976 62.100 -0.013 0.000 1.119 424 T CB -0.050 68.810 68.868 -0.013 0.000 0.891 424 T HN 0.316 nan 8.240 nan 0.000 0.526 425 L N 2.253 123.469 121.223 -0.013 0.000 2.283 425 L HA 0.648 4.988 4.340 -0.000 0.000 0.259 425 L C 0.236 177.107 176.870 0.001 0.000 1.027 425 L CA -1.105 53.729 54.840 -0.010 0.000 0.828 425 L CB 2.265 44.315 42.059 -0.015 0.000 1.380 425 L HN 0.465 nan 8.230 nan 0.000 0.425 426 T N 0.466 115.024 114.554 0.007 0.000 2.829 426 T HA 0.275 4.625 4.350 -0.000 0.000 0.280 426 T C -0.244 174.482 174.700 0.043 0.000 0.999 426 T CA -0.672 61.444 62.100 0.028 0.000 0.983 426 T CB 1.785 70.666 68.868 0.023 0.000 0.968 426 T HN 0.255 nan 8.240 nan 0.000 0.446 427 K N 2.171 122.632 120.400 0.101 0.000 2.469 427 K HA 0.322 4.642 4.320 -0.000 0.000 0.274 427 K C -0.708 175.914 176.600 0.037 0.000 0.983 427 K CA 0.133 56.497 56.287 0.128 0.000 0.974 427 K CB 0.470 33.128 32.500 0.263 0.000 0.913 427 K HN 0.388 nan 8.250 nan 0.000 0.493 428 V N 3.587 123.495 119.914 -0.009 0.000 2.971 428 V HA 0.414 4.534 4.120 -0.000 0.000 0.309 428 V C -0.684 175.415 176.094 0.010 0.000 1.130 428 V CA -0.911 61.379 62.300 -0.017 0.000 0.964 428 V CB 2.477 34.239 31.823 -0.101 0.000 1.029 428 V HN 0.702 nan 8.190 nan 0.000 0.427 429 K N 4.036 124.508 120.400 0.120 0.000 2.426 429 K HA 0.613 4.933 4.320 -0.000 0.000 0.251 429 K C -2.787 174.059 176.600 0.409 0.000 0.941 429 K CA -1.721 54.677 56.287 0.185 0.000 0.808 429 K CB 2.950 35.492 32.500 0.070 0.000 1.265 429 K HN 0.380 nan 8.250 nan 0.000 0.432 430 P HA 0.155 nan 4.420 nan 0.000 0.293 430 P C -1.292 175.995 177.300 -0.021 0.000 1.304 430 P CA -0.393 62.782 63.100 0.125 0.000 0.767 430 P CB 0.426 32.192 31.700 0.109 0.000 1.247 431 K N -1.673 118.640 120.400 -0.144 0.000 6.806 431 K HA -0.114 4.206 4.320 -0.000 0.000 0.764 431 K C 0.140 176.697 176.600 -0.072 0.000 2.469 431 K CA 0.667 56.896 56.287 -0.098 0.000 1.793 431 K CB -2.037 30.434 32.500 -0.047 0.000 2.301 431 K HN 0.842 nan 8.250 nan 0.000 0.246 432 T N -0.311 114.194 114.554 -0.081 0.000 6.178 432 T HA -0.106 4.244 4.350 -0.000 0.000 0.277 432 T C 0.875 175.537 174.700 -0.063 0.000 2.183 432 T CA 1.276 63.344 62.100 -0.053 0.000 3.733 432 T CB -1.229 67.625 68.868 -0.023 0.000 0.719 432 T HN 0.965 nan 8.240 nan 0.000 0.455 433 G N 2.261 111.003 108.800 -0.097 0.000 3.448 433 G HA2 0.420 4.380 3.960 -0.000 0.000 0.261 433 G HA3 0.420 4.380 3.960 -0.000 0.000 0.261 433 G C 0.253 175.064 174.900 -0.148 0.000 1.173 433 G CA -0.128 44.914 45.100 -0.097 0.000 0.835 433 G HN 0.676 nan 8.290 nan 0.000 0.534 434 Q N 0.417 120.125 119.800 -0.154 0.000 2.454 434 Q HA 0.231 4.571 4.340 -0.000 0.000 0.247 434 Q C -0.506 175.433 176.000 -0.102 0.000 1.028 434 Q CA -0.116 55.594 55.803 -0.155 0.000 0.910 434 Q CB 1.146 29.802 28.738 -0.136 0.000 1.276 434 Q HN 0.272 nan 8.270 nan 0.000 0.489 435 E N 1.926 122.069 120.200 -0.094 0.000 2.417 435 E HA -0.058 4.292 4.350 -0.000 0.000 0.261 435 E C -0.652 175.843 176.600 -0.176 0.000 1.000 435 E CA -0.170 56.160 56.400 -0.117 0.000 0.919 435 E CB 0.133 29.784 29.700 -0.082 0.000 0.955 435 E HN 0.466 nan 8.360 nan 0.000 0.455 436 N N 1.544 120.084 118.700 -0.266 0.000 2.681 436 N HA -0.139 4.601 4.740 -0.000 0.000 0.259 436 N C -0.601 174.560 175.510 -0.581 0.000 1.066 436 N CA 1.110 53.880 53.050 -0.467 0.000 0.717 436 N CB -1.296 36.994 38.487 -0.328 0.000 0.885 436 N HN 0.646 nan 8.380 nan 0.000 0.547 437 G N -0.807 107.661 108.800 -0.553 0.000 2.452 437 G HA2 0.641 4.601 3.960 -0.000 0.000 0.324 437 G HA3 0.641 4.601 3.960 -0.000 0.000 0.324 437 G C -0.744 173.889 174.900 -0.445 0.000 1.214 437 G CA -0.586 44.289 45.100 -0.376 0.000 0.947 437 G HN 0.185 nan 8.290 nan 0.000 0.478 438 W N 0.712 122.010 121.300 -0.003 0.000 2.736 438 W HA 0.533 5.193 4.660 -0.000 0.000 0.335 438 W C -0.078 176.439 176.519 -0.004 0.000 1.059 438 W CA -0.594 56.749 57.345 -0.004 0.000 1.226 438 W CB 2.327 31.786 29.460 -0.002 0.000 1.416 438 W HN 0.509 nan 8.180 nan 0.000 0.505 439 E N 0.870 121.207 120.200 0.228 0.000 2.359 439 E HA 0.299 4.649 4.350 -0.000 0.000 0.266 439 E C -0.602 176.059 176.600 0.100 0.000 0.920 439 E CA -1.040 55.435 56.400 0.124 0.000 0.788 439 E CB 2.768 32.511 29.700 0.070 0.000 1.279 439 E HN 0.113 nan 8.360 nan 0.000 0.438 440 K N 1.088 121.527 120.400 0.065 0.000 2.355 440 K HA 0.040 4.360 4.320 -0.000 0.000 0.270 440 K C -0.372 176.246 176.600 0.031 0.000 1.003 440 K CA -0.008 56.306 56.287 0.046 0.000 0.957 440 K CB 0.362 32.884 32.500 0.037 0.000 0.939 440 K HN 0.353 nan 8.250 nan 0.000 0.482 441 D N 0.661 121.072 120.400 0.019 0.000 2.210 441 D HA 0.178 4.818 4.640 -0.000 0.000 0.249 441 D C 0.187 176.487 176.300 0.000 0.000 1.078 441 D CA -0.126 53.867 54.000 -0.012 0.000 0.875 441 D CB 1.766 42.527 40.800 -0.065 0.000 1.175 441 D HN 0.540 nan 8.370 nan 0.000 0.440 442 A N 2.343 125.157 122.820 -0.010 0.000 1.984 442 A HA -0.033 4.287 4.320 -0.000 0.000 0.214 442 A C 1.463 179.050 177.584 0.005 0.000 1.173 442 A CA 0.894 52.933 52.037 0.003 0.000 0.673 442 A CB -0.318 18.682 19.000 -0.000 0.000 0.830 442 A HN 0.611 nan 8.150 nan 0.000 0.453 443 T N 0.030 114.570 114.554 -0.024 0.000 3.500 443 T HA 0.231 4.581 4.350 -0.000 0.000 0.244 443 T C 0.063 174.784 174.700 0.034 0.000 0.962 443 T CA -0.273 61.818 62.100 -0.016 0.000 0.932 443 T CB -0.828 68.002 68.868 -0.063 0.000 1.096 443 T HN 0.504 nan 8.240 nan 0.000 0.617 444 E N 0.593 120.851 120.200 0.097 0.000 2.458 444 E HA 0.142 4.492 4.350 -0.000 0.000 0.264 444 E C -0.543 176.244 176.600 0.312 0.000 1.097 444 E CA -0.057 56.498 56.400 0.258 0.000 0.973 444 E CB 0.037 29.835 29.700 0.163 0.000 0.963 444 E HN 0.419 nan 8.360 nan 0.000 0.451 445 F N 0.182 120.128 119.950 -0.007 0.000 2.744 445 F HA -0.226 4.301 4.527 -0.000 0.000 0.377 445 F C 0.512 176.306 175.800 -0.011 0.000 1.069 445 F CA 0.561 58.555 58.000 -0.010 0.000 1.211 445 F CB -2.053 36.943 39.000 -0.007 0.000 1.606 445 F HN 0.379 nan 8.300 nan 0.000 0.781 446 S N 0.390 116.117 115.700 0.046 0.000 2.599 446 S HA -0.006 4.464 4.470 -0.000 0.000 0.303 446 S C 1.353 175.971 174.600 0.031 0.000 1.267 446 S CA 0.024 58.238 58.200 0.023 0.000 1.055 446 S CB 0.776 63.962 63.200 -0.023 0.000 0.790 446 S HN 0.546 nan 8.310 nan 0.000 0.500 447 D N 1.591 122.011 120.400 0.034 0.000 2.403 447 D HA -0.115 4.525 4.640 -0.000 0.000 0.227 447 D C -0.041 176.265 176.300 0.009 0.000 0.995 447 D CA 0.739 54.758 54.000 0.031 0.000 0.928 447 D CB -0.215 40.600 40.800 0.025 0.000 0.887 447 D HN 0.672 nan 8.370 nan 0.000 0.529 448 K N 0.771 121.166 120.400 -0.008 0.000 2.530 448 K HA 0.292 4.612 4.320 -0.000 0.000 0.230 448 K C -0.884 175.689 176.600 -0.044 0.000 1.002 448 K CA -0.641 55.632 56.287 -0.024 0.000 1.014 448 K CB 0.942 33.426 32.500 -0.027 0.000 1.286 448 K HN -0.104 nan 8.250 nan 0.000 0.480 449 N N 2.030 120.705 118.700 -0.043 0.000 2.314 449 N HA 0.206 4.946 4.740 -0.000 0.000 0.294 449 N C -1.028 174.454 175.510 -0.046 0.000 1.029 449 N CA -0.733 52.279 53.050 -0.065 0.000 0.845 449 N CB 1.850 40.288 38.487 -0.081 0.000 1.321 449 N HN 0.314 nan 8.380 nan 0.000 0.481 450 E N 1.436 121.608 120.200 -0.046 0.000 2.105 450 E HA 0.421 4.771 4.350 -0.000 0.000 0.285 450 E C -0.359 176.233 176.600 -0.013 0.000 1.055 450 E CA 0.042 56.429 56.400 -0.022 0.000 0.843 450 E CB 0.675 30.368 29.700 -0.011 0.000 1.067 450 E HN 0.405 nan 8.360 nan 0.000 0.398 451 I N 2.697 123.261 120.570 -0.009 0.000 2.498 451 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 451 I C -0.280 175.839 176.117 0.002 0.000 1.032 451 I CA -1.275 60.022 61.300 -0.006 0.000 1.073 451 I CB 1.810 39.802 38.000 -0.014 0.000 1.251 451 I HN 0.209 nan 8.210 nan 0.000 0.426 452 R N 5.580 126.084 120.500 0.008 0.000 2.297 452 R HA 0.540 4.880 4.340 -0.000 0.000 0.308 452 R C -1.618 174.686 176.300 0.007 0.000 1.029 452 R CA -0.287 55.822 56.100 0.014 0.000 0.929 452 R CB 1.140 31.455 30.300 0.025 0.000 1.046 452 R HN 0.407 nan 8.270 nan 0.000 0.461 453 V N 5.524 125.442 119.914 0.007 0.000 2.347 453 V HA 0.792 4.912 4.120 -0.000 0.000 0.280 453 V C 0.731 176.830 176.094 0.009 0.000 1.021 453 V CA 0.486 62.788 62.300 0.003 0.000 0.847 453 V CB 0.422 32.244 31.823 -0.002 0.000 0.990 453 V HN 1.066 nan 8.190 nan 0.000 0.444 454 G N 5.098 113.902 108.800 0.006 0.000 2.483 454 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.521 454 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.521 454 G C -0.701 174.205 174.900 0.010 0.000 1.278 454 G CA -0.822 44.285 45.100 0.010 0.000 0.965 454 G HN 0.582 nan 8.290 nan 0.000 0.504 455 N N 0.960 119.667 118.700 0.012 0.000 2.424 455 N HA 0.327 5.067 4.740 -0.000 0.000 0.257 455 N C 0.838 176.371 175.510 0.038 0.000 1.250 455 N CA 0.325 53.379 53.050 0.007 0.000 0.946 455 N CB 0.291 38.773 38.487 -0.008 0.000 1.175 455 N HN 0.908 nan 8.380 nan 0.000 0.477 456 N N -0.432 118.293 118.700 0.040 0.000 2.317 456 N HA 0.065 4.805 4.740 -0.000 0.000 0.245 456 N C -0.604 175.013 175.510 0.177 0.000 1.294 456 N CA -0.284 52.828 53.050 0.103 0.000 0.924 456 N CB 0.145 38.682 38.487 0.083 0.000 1.186 456 N HN 0.403 nan 8.380 nan 0.000 0.495 457 F N -0.328 119.664 119.950 0.069 0.000 2.438 457 F HA 0.567 5.094 4.527 -0.000 0.000 0.356 457 F C -0.208 175.630 175.800 0.064 0.000 1.099 457 F CA -0.876 57.156 58.000 0.053 0.000 1.185 457 F CB -0.110 38.918 39.000 0.047 0.000 1.115 457 F HN 0.719 nan 8.300 nan 0.000 0.526 458 A N 7.533 129.944 122.820 -0.681 0.000 2.475 458 A HA 0.828 5.148 4.320 -0.000 0.000 0.301 458 A C -1.234 175.917 177.584 -0.722 0.000 1.059 458 A CA -0.885 50.749 52.037 -0.671 0.000 0.710 458 A CB 1.531 20.221 19.000 -0.517 0.000 1.288 458 A HN 0.661 nan 8.150 nan 0.000 0.408 459 M N 1.339 120.624 119.600 -0.524 0.000 2.465 459 M HA 0.470 4.950 4.480 -0.000 0.000 0.316 459 M C -0.384 175.835 176.300 -0.134 0.000 1.121 459 M CA -0.216 54.903 55.300 -0.301 0.000 0.934 459 M CB 1.664 34.119 32.600 -0.242 0.000 1.692 459 M HN 0.950 nan 8.290 nan 0.000 0.444 460 E N 2.280 122.440 120.200 -0.067 0.000 2.207 460 E HA 0.782 5.132 4.350 -0.000 0.000 0.270 460 E C -1.770 174.739 176.600 -0.151 0.000 0.927 460 E CA -0.634 55.702 56.400 -0.108 0.000 0.799 460 E CB 2.570 32.223 29.700 -0.078 0.000 1.172 460 E HN 0.728 nan 8.360 nan 0.000 0.404 461 I N 3.057 123.508 120.570 -0.199 0.000 2.722 461 I HA 0.277 4.447 4.170 -0.000 0.000 0.292 461 I C -1.763 174.257 176.117 -0.162 0.000 1.267 461 I CA -0.808 60.401 61.300 -0.153 0.000 1.036 461 I CB 2.005 39.942 38.000 -0.106 0.000 1.281 461 I HN 0.484 nan 8.210 nan 0.000 0.423 462 N N 7.483 126.105 118.700 -0.130 0.000 2.602 462 N HA 0.230 4.970 4.740 -0.000 0.000 0.238 462 N C 0.689 176.166 175.510 -0.055 0.000 1.084 462 N CA -0.023 52.965 53.050 -0.103 0.000 0.952 462 N CB 0.777 39.211 38.487 -0.088 0.000 1.244 462 N HN 0.787 nan 8.380 nan 0.000 0.512 463 L N 3.351 124.539 121.223 -0.057 0.000 1.956 463 L HA -0.247 4.093 4.340 -0.000 0.000 0.216 463 L C 1.732 178.610 176.870 0.012 0.000 1.073 463 L CA 1.566 56.393 54.840 -0.022 0.000 0.762 463 L CB -0.252 41.790 42.059 -0.028 0.000 0.889 463 L HN 0.603 nan 8.230 nan 0.000 0.433 464 N N -0.860 117.843 118.700 0.006 0.000 2.149 464 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 464 N C 1.758 177.321 175.510 0.088 0.000 1.019 464 N CA 1.079 54.147 53.050 0.030 0.000 0.857 464 N CB -0.147 38.336 38.487 -0.006 0.000 0.997 464 N HN 0.402 nan 8.380 nan 0.000 0.426 465 A N 1.249 124.116 122.820 0.079 0.000 1.930 465 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 465 A C 1.985 179.664 177.584 0.159 0.000 1.175 465 A CA 1.115 53.238 52.037 0.143 0.000 0.627 465 A CB -0.374 18.678 19.000 0.087 0.000 0.815 465 A HN 0.264 nan 8.150 nan 0.000 0.443 466 N N 0.086 118.842 118.700 0.094 0.000 2.058 466 N HA -0.104 4.636 4.740 -0.000 0.000 0.191 466 N C 1.794 177.376 175.510 0.121 0.000 1.037 466 N CA 1.427 54.524 53.050 0.078 0.000 0.848 466 N CB -0.376 38.135 38.487 0.040 0.000 1.021 466 N HN 0.464 nan 8.380 nan 0.000 0.422 467 L N 0.123 121.430 121.223 0.141 0.000 2.042 467 L HA -0.187 4.153 4.340 -0.000 0.000 0.210 467 L C 2.437 179.487 176.870 0.299 0.000 1.076 467 L CA 1.190 56.138 54.840 0.181 0.000 0.749 467 L CB -0.348 41.797 42.059 0.143 0.000 0.893 467 L HN 0.448 nan 8.230 nan 0.000 0.432 468 W N 0.949 122.285 121.300 0.061 0.000 2.355 468 W HA -0.279 4.381 4.660 -0.000 0.000 0.309 468 W C 2.730 179.341 176.519 0.153 0.000 1.206 468 W CA 1.204 58.596 57.345 0.079 0.000 1.284 468 W CB -0.077 29.396 29.460 0.023 0.000 1.145 468 W HN 0.094 nan 8.180 nan 0.000 0.502 469 R N 0.633 121.179 120.500 0.077 0.000 2.083 469 R HA -0.193 4.147 4.340 -0.000 0.000 0.237 469 R C 2.098 178.388 176.300 -0.017 0.000 1.137 469 R CA 2.023 58.070 56.100 -0.088 0.000 0.951 469 R CB -0.776 29.512 30.300 -0.020 0.000 0.851 469 R HN 0.240 nan 8.270 nan 0.000 0.434 470 N N -0.379 118.367 118.700 0.078 0.000 2.149 470 N HA -0.209 4.531 4.740 -0.000 0.000 0.188 470 N C 1.655 177.253 175.510 0.147 0.000 1.019 470 N CA 1.363 54.482 53.050 0.115 0.000 0.857 470 N CB -0.171 38.392 38.487 0.127 0.000 0.997 470 N HN 0.171 nan 8.380 nan 0.000 0.426 471 F N 2.083 122.051 119.950 0.030 0.000 2.113 471 F HA -0.060 4.467 4.527 -0.000 0.000 0.297 471 F C 2.116 177.872 175.800 -0.073 0.000 1.103 471 F CA 0.992 59.011 58.000 0.031 0.000 1.248 471 F CB -0.357 38.699 39.000 0.094 0.000 0.999 471 F HN -0.090 nan 8.300 nan 0.000 0.475 472 L N -1.056 120.014 121.223 -0.255 0.000 2.046 472 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 472 L C 2.386 179.123 176.870 -0.221 0.000 1.077 472 L CA 1.777 56.388 54.840 -0.383 0.000 0.747 472 L CB -1.012 40.760 42.059 -0.479 0.000 0.896 472 L HN 0.250 nan 8.230 nan 0.000 0.432 473 Y N -0.269 119.906 120.300 -0.209 0.000 2.200 473 Y HA -0.271 4.279 4.550 -0.000 0.000 0.290 473 Y C 2.986 178.824 175.900 -0.103 0.000 1.137 473 Y CA 1.749 59.764 58.100 -0.141 0.000 1.163 473 Y CB -0.003 38.389 38.460 -0.113 0.000 0.988 473 Y HN 0.113 nan 8.280 nan 0.000 0.518 474 S N -0.024 115.641 115.700 -0.058 0.000 2.368 474 S HA -0.166 4.304 4.470 -0.000 0.000 0.224 474 S C 1.690 176.309 174.600 0.032 0.000 1.029 474 S CA 1.706 59.873 58.200 -0.054 0.000 0.988 474 S CB -0.365 62.869 63.200 0.058 0.000 0.838 474 S HN 0.611 nan 8.310 nan 0.000 0.462 475 N N 0.082 118.729 118.700 -0.089 0.000 2.409 475 N HA 0.245 4.985 4.740 -0.000 0.000 0.174 475 N C 1.510 177.050 175.510 0.050 0.000 1.037 475 N CA 0.874 53.932 53.050 0.013 0.000 0.898 475 N CB 0.227 38.468 38.487 -0.410 0.000 1.010 475 N HN 0.462 nan 8.380 nan 0.000 0.445 476 I N 0.299 120.808 120.570 -0.102 0.000 3.345 476 I HA 0.120 4.290 4.170 -0.000 0.000 0.258 476 I C 2.265 178.349 176.117 -0.054 0.000 1.134 476 I CA 0.179 61.444 61.300 -0.058 0.000 1.457 476 I CB -0.314 37.613 38.000 -0.121 0.000 1.425 476 I HN -0.136 nan 8.210 nan 0.000 0.461 477 A N 1.763 124.481 122.820 -0.170 0.000 1.859 477 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 477 A C 2.235 179.622 177.584 -0.327 0.000 1.209 477 A CA 1.883 53.771 52.037 -0.248 0.000 0.639 477 A CB -1.258 17.530 19.000 -0.354 0.000 0.835 477 A HN 0.396 nan 8.150 nan 0.000 0.450 478 L N -2.308 118.614 121.223 -0.502 0.000 2.353 478 L HA -0.184 4.156 4.340 -0.000 0.000 0.220 478 L C 1.918 178.505 176.870 -0.472 0.000 1.133 478 L CA 0.995 55.517 54.840 -0.530 0.000 0.798 478 L CB -0.360 41.319 42.059 -0.634 0.000 0.922 478 L HN 0.544 nan 8.230 nan 0.000 0.445 479 Y N -0.966 119.203 120.300 -0.220 0.000 2.457 479 Y HA 0.173 4.723 4.550 -0.000 0.000 0.263 479 Y C 1.063 176.899 175.900 -0.108 0.000 1.164 479 Y CA -0.588 57.428 58.100 -0.140 0.000 1.274 479 Y CB 0.073 38.484 38.460 -0.082 0.000 1.097 479 Y HN 0.013 nan 8.280 nan 0.000 0.523 480 L N 1.685 122.888 121.223 -0.033 0.000 2.483 480 L HA 0.053 4.393 4.340 -0.000 0.000 0.275 480 L C -1.911 174.915 176.870 -0.072 0.000 1.220 480 L CA -1.749 53.058 54.840 -0.054 0.000 0.833 480 L CB 0.143 42.131 42.059 -0.118 0.000 1.102 480 L HN -0.076 nan 8.230 nan 0.000 0.490 481 P HA -0.066 nan 4.420 nan 0.000 0.266 481 P C -0.070 177.185 177.300 -0.075 0.000 1.193 481 P CA 0.075 63.148 63.100 -0.045 0.000 0.770 481 P CB 0.492 32.170 31.700 -0.036 0.000 0.836 482 D N 2.437 122.818 120.400 -0.032 0.000 2.221 482 D HA -0.191 4.449 4.640 -0.000 0.000 0.204 482 D C 1.602 177.886 176.300 -0.027 0.000 0.982 482 D CA 1.322 55.309 54.000 -0.022 0.000 0.857 482 D CB -0.027 40.813 40.800 0.067 0.000 0.934 482 D HN 0.426 nan 8.370 nan 0.000 0.475 483 K N -0.051 120.332 120.400 -0.028 0.000 2.280 483 K HA -0.104 4.216 4.320 -0.000 0.000 0.202 483 K C 1.729 178.294 176.600 -0.058 0.000 1.047 483 K CA 0.888 57.160 56.287 -0.025 0.000 0.942 483 K CB -0.271 32.220 32.500 -0.016 0.000 0.739 483 K HN 0.247 nan 8.250 nan 0.000 0.457 484 L N 0.636 121.789 121.223 -0.117 0.000 2.592 484 L HA 0.139 4.479 4.340 -0.000 0.000 0.227 484 L C 0.699 177.526 176.870 -0.071 0.000 1.127 484 L CA 0.023 54.777 54.840 -0.142 0.000 0.884 484 L CB 0.038 41.926 42.059 -0.285 0.000 1.065 484 L HN 0.117 nan 8.230 nan 0.000 0.457 485 K N -0.052 120.307 120.400 -0.068 0.000 2.240 485 K HA 0.514 4.834 4.320 -0.000 0.000 0.237 485 K C -1.165 175.451 176.600 0.026 0.000 1.027 485 K CA -0.660 55.577 56.287 -0.085 0.000 0.937 485 K CB 1.412 33.795 32.500 -0.195 0.000 1.171 485 K HN -0.125 nan 8.250 nan 0.000 0.479 486 Y N -3.096 117.131 120.300 -0.122 0.000 2.552 486 Y HA 0.399 4.949 4.550 -0.000 0.000 0.337 486 Y C -0.905 174.922 175.900 -0.121 0.000 1.094 486 Y CA -1.189 56.849 58.100 -0.103 0.000 1.028 486 Y CB 1.015 39.422 38.460 -0.089 0.000 1.321 486 Y HN 0.322 nan 8.280 nan 0.000 0.456 487 S N 4.721 120.443 115.700 0.036 0.000 2.564 487 S HA 0.310 4.780 4.470 -0.000 0.000 0.278 487 S C -2.355 172.260 174.600 0.026 0.000 1.333 487 S CA -0.833 57.334 58.200 -0.056 0.000 1.048 487 S CB 0.276 63.470 63.200 -0.009 0.000 0.900 487 S HN 0.567 nan 8.310 nan 0.000 0.505 488 P HA 0.185 nan 4.420 nan 0.000 0.278 488 P C -0.766 176.553 177.300 0.031 0.000 1.238 488 P CA -0.539 62.560 63.100 -0.003 0.000 0.794 488 P CB 0.732 32.399 31.700 -0.056 0.000 0.955 489 S N 1.356 117.090 115.700 0.055 0.000 2.562 489 S HA 0.240 4.710 4.470 -0.000 0.000 0.275 489 S C 0.588 175.173 174.600 -0.025 0.000 1.281 489 S CA -0.566 57.647 58.200 0.021 0.000 1.045 489 S CB -0.049 63.171 63.200 0.033 0.000 0.962 489 S HN 0.552 nan 8.310 nan 0.000 0.503 490 N N -1.108 117.572 118.700 -0.034 0.000 2.800 490 N HA -0.130 4.610 4.740 -0.000 0.000 0.250 490 N C -0.949 174.529 175.510 -0.053 0.000 1.078 490 N CA 0.958 53.975 53.050 -0.056 0.000 0.804 490 N CB -1.642 36.786 38.487 -0.098 0.000 1.135 490 N HN 0.552 nan 8.380 nan 0.000 0.565 491 V N 0.648 120.540 119.914 -0.036 0.000 2.656 491 V HA 0.264 4.384 4.120 -0.000 0.000 0.307 491 V C 0.445 176.526 176.094 -0.022 0.000 1.051 491 V CA -0.965 61.317 62.300 -0.030 0.000 0.893 491 V CB 2.476 34.284 31.823 -0.026 0.000 0.999 491 V HN -0.034 nan 8.190 nan 0.000 0.426 492 K N 4.326 124.716 120.400 -0.016 0.000 2.379 492 K HA 0.538 4.858 4.320 -0.000 0.000 0.284 492 K C -0.676 175.916 176.600 -0.014 0.000 1.044 492 K CA 0.060 56.341 56.287 -0.009 0.000 0.974 492 K CB 1.171 33.669 32.500 -0.003 0.000 0.962 492 K HN 0.575 nan 8.250 nan 0.000 0.474 493 I N 1.183 121.750 120.570 -0.006 0.000 2.619 493 I HA 0.115 4.285 4.170 -0.000 0.000 0.292 493 I C -0.169 175.978 176.117 0.050 0.000 1.100 493 I CA -0.505 60.793 61.300 -0.004 0.000 1.043 493 I CB 2.065 40.041 38.000 -0.040 0.000 1.239 493 I HN 0.622 nan 8.210 nan 0.000 0.420 494 S N 3.800 119.544 115.700 0.072 0.000 2.566 494 S HA -0.003 4.467 4.470 -0.000 0.000 0.280 494 S C 0.533 175.203 174.600 0.116 0.000 1.343 494 S CA 0.459 58.710 58.200 0.085 0.000 1.036 494 S CB 0.660 63.908 63.200 0.079 0.000 0.866 494 S HN 0.750 nan 8.310 nan 0.000 0.526 495 D N 1.111 121.532 120.400 0.035 0.000 2.305 495 D HA 0.107 4.747 4.640 -0.000 0.000 0.206 495 D C 0.119 176.346 176.300 -0.122 0.000 0.974 495 D CA 0.386 54.378 54.000 -0.013 0.000 0.871 495 D CB 0.014 40.807 40.800 -0.013 0.000 0.947 495 D HN 0.415 nan 8.370 nan 0.000 0.516 496 N N 1.036 119.663 118.700 -0.121 0.000 2.406 496 N HA 0.060 4.800 4.740 -0.000 0.000 0.251 496 N C -1.881 173.399 175.510 -0.384 0.000 1.069 496 N CA -1.790 51.147 53.050 -0.188 0.000 0.947 496 N CB 1.423 39.858 38.487 -0.087 0.000 1.111 496 N HN -0.060 nan 8.380 nan 0.000 0.497 497 P HA -0.008 nan 4.420 nan 0.000 0.237 497 P C -0.072 177.043 177.300 -0.308 0.000 1.178 497 P CA 0.659 63.203 63.100 -0.926 0.000 0.766 497 P CB 0.492 31.744 31.700 -0.748 0.000 0.876 498 N N -0.647 117.953 118.700 -0.168 0.000 2.336 498 N HA 0.037 4.777 4.740 -0.000 0.000 0.189 498 N C 0.462 175.965 175.510 -0.012 0.000 1.113 498 N CA 0.424 53.442 53.050 -0.053 0.000 0.858 498 N CB -0.031 38.431 38.487 -0.042 0.000 0.970 498 N HN 0.098 nan 8.380 nan 0.000 0.471 499 T N -0.020 114.530 114.554 -0.007 0.000 2.913 499 T HA 0.065 4.415 4.350 -0.000 0.000 0.287 499 T C 1.054 175.808 174.700 0.090 0.000 1.008 499 T CA -0.386 61.744 62.100 0.050 0.000 1.067 499 T CB 1.357 70.254 68.868 0.048 0.000 0.996 499 T HN 0.164 nan 8.240 nan 0.000 0.513 500 Y N 2.015 122.298 120.300 -0.027 0.000 2.220 500 Y HA -0.107 4.443 4.550 -0.000 0.000 0.291 500 Y C 2.234 178.088 175.900 -0.077 0.000 1.129 500 Y CA 1.966 60.028 58.100 -0.064 0.000 1.161 500 Y CB -0.153 38.255 38.460 -0.086 0.000 0.997 500 Y HN 0.826 nan 8.280 nan 0.000 0.522 501 D N -0.873 119.524 120.400 -0.006 0.000 2.133 501 D HA -0.317 4.323 4.640 -0.000 0.000 0.195 501 D C 2.033 178.225 176.300 -0.179 0.000 0.997 501 D CA 1.844 55.775 54.000 -0.115 0.000 0.840 501 D CB -0.540 40.266 40.800 0.009 0.000 0.947 501 D HN 0.537 nan 8.370 nan 0.000 0.452 502 Y N 0.339 120.524 120.300 -0.192 0.000 2.163 502 Y HA -0.111 4.439 4.550 -0.000 0.000 0.288 502 Y C 2.129 177.878 175.900 -0.253 0.000 1.136 502 Y CA 1.616 59.606 58.100 -0.183 0.000 1.147 502 Y CB -0.142 38.248 38.460 -0.118 0.000 0.987 502 Y HN -0.002 nan 8.280 nan 0.000 0.509 503 M N -0.214 119.293 119.600 -0.155 0.000 2.460 503 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 503 M C 1.521 177.522 176.300 -0.499 0.000 1.071 503 M CA 1.554 56.679 55.300 -0.291 0.000 1.096 503 M CB -0.324 32.153 32.600 -0.205 0.000 1.408 503 M HN 0.277 nan 8.290 nan 0.000 0.463 504 N N 0.742 119.053 118.700 -0.649 0.000 2.409 504 N HA -0.018 4.722 4.740 -0.000 0.000 0.174 504 N C 1.277 176.393 175.510 -0.657 0.000 1.037 504 N CA 0.909 53.507 53.050 -0.753 0.000 0.898 504 N CB 0.306 38.147 38.487 -1.077 0.000 1.010 504 N HN 0.208 nan 8.380 nan 0.000 0.445 505 K N -0.593 119.482 120.400 -0.541 0.000 2.348 505 K HA 0.202 4.522 4.320 -0.000 0.000 0.194 505 K C -0.064 176.313 176.600 -0.372 0.000 1.052 505 K CA -0.239 55.806 56.287 -0.403 0.000 1.004 505 K CB 0.500 32.818 32.500 -0.303 0.000 0.873 505 K HN -0.022 nan 8.250 nan 0.000 0.523 506 R N 1.961 122.160 120.500 -0.502 0.000 2.502 506 R HA 0.011 4.351 4.340 -0.000 0.000 0.292 506 R C -0.218 175.820 176.300 -0.438 0.000 0.998 506 R CA 0.130 55.918 56.100 -0.520 0.000 1.056 506 R CB 0.601 30.528 30.300 -0.622 0.000 0.939 506 R HN -0.034 nan 8.270 nan 0.000 0.411 507 V N 3.913 123.504 119.914 -0.537 0.000 2.539 507 V HA 0.455 4.575 4.120 -0.000 0.000 0.292 507 V C -0.519 175.231 176.094 -0.573 0.000 1.045 507 V CA -0.623 61.346 62.300 -0.551 0.000 0.945 507 V CB 1.895 33.320 31.823 -0.663 0.000 0.993 507 V HN 0.449 nan 8.190 nan 0.000 0.464 508 V N 6.819 126.569 119.914 -0.273 0.000 2.604 508 V HA 0.876 4.996 4.120 -0.000 0.000 0.305 508 V C 0.385 176.508 176.094 0.048 0.000 1.043 508 V CA -0.074 62.148 62.300 -0.130 0.000 0.888 508 V CB 1.672 33.404 31.823 -0.153 0.000 0.995 508 V HN 1.492 nan 8.190 nan 0.000 0.429 509 A N 7.242 130.107 122.820 0.077 0.000 2.454 509 A HA 0.554 4.874 4.320 -0.000 0.000 0.260 509 A C -1.661 175.984 177.584 0.102 0.000 1.106 509 A CA -0.971 51.112 52.037 0.077 0.000 0.780 509 A CB 0.268 19.288 19.000 0.034 0.000 1.044 509 A HN 0.809 nan 8.150 nan 0.000 0.498 510 P HA -0.121 nan 4.420 nan 0.000 0.218 510 P C 1.589 178.911 177.300 0.037 0.000 1.148 510 P CA 1.703 64.854 63.100 0.085 0.000 0.822 510 P CB 0.203 31.830 31.700 -0.123 0.000 0.784 511 G N -0.757 108.063 108.800 0.033 0.000 2.586 511 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.215 511 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.215 511 G C 1.280 176.219 174.900 0.064 0.000 1.128 511 G CA 0.253 45.389 45.100 0.060 0.000 0.774 511 G HN 0.264 nan 8.290 nan 0.000 0.543 512 L N -0.362 120.891 121.223 0.050 0.000 2.240 512 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 512 L C 0.591 177.502 176.870 0.070 0.000 1.106 512 L CA 0.400 55.282 54.840 0.070 0.000 0.793 512 L CB 0.342 42.424 42.059 0.038 0.000 0.927 512 L HN 0.026 nan 8.230 nan 0.000 0.446 513 V N -0.891 119.027 119.914 0.007 0.000 2.502 513 V HA 0.225 4.345 4.120 -0.000 0.000 0.261 513 V C -0.505 175.494 176.094 -0.158 0.000 0.996 513 V CA -0.605 61.668 62.300 -0.046 0.000 1.095 513 V CB 0.800 32.593 31.823 -0.050 0.000 1.325 513 V HN 0.068 nan 8.190 nan 0.000 0.574 514 D N 0.580 120.811 120.400 -0.282 0.000 2.387 514 D HA 0.155 4.795 4.640 -0.000 0.000 0.251 514 D C 1.436 177.425 176.300 -0.519 0.000 1.141 514 D CA -0.100 53.612 54.000 -0.480 0.000 0.987 514 D CB 2.271 42.587 40.800 -0.807 0.000 1.116 514 D HN 0.559 nan 8.370 nan 0.000 0.491 515 C N 0.531 119.591 119.300 -0.400 0.000 2.421 515 C HA -0.100 4.360 4.460 -0.000 0.000 0.296 515 C C 1.657 176.711 174.990 0.107 0.000 1.470 515 C CA -0.102 58.842 59.018 -0.124 0.000 1.779 515 C CB -2.315 25.513 27.740 0.147 0.000 1.715 515 C HN 0.566 nan 8.230 nan 0.000 0.564 516 Y N -1.356 119.032 120.300 0.145 0.000 2.607 516 Y HA 0.618 5.168 4.550 -0.000 0.000 0.266 516 Y C 0.555 176.512 175.900 0.094 0.000 1.178 516 Y CA -2.386 55.785 58.100 0.119 0.000 1.226 516 Y CB -1.141 37.363 38.460 0.073 0.000 1.144 516 Y HN 0.151 nan 8.280 nan 0.000 0.528 517 I N 3.016 123.634 120.570 0.080 0.000 2.517 517 I HA 0.106 4.276 4.170 -0.000 0.000 0.285 517 I C 0.373 176.578 176.117 0.148 0.000 1.106 517 I CA 0.159 61.533 61.300 0.124 0.000 1.402 517 I CB -0.150 37.881 38.000 0.050 0.000 1.399 517 I HN 0.426 nan 8.210 nan 0.000 0.535 518 N N 5.589 124.359 118.700 0.116 0.000 2.698 518 N HA -0.236 4.504 4.740 -0.000 0.000 0.258 518 N C -0.321 175.238 175.510 0.082 0.000 0.978 518 N CA 0.562 53.646 53.050 0.058 0.000 0.777 518 N CB -0.866 37.657 38.487 0.060 0.000 0.907 518 N HN 0.592 nan 8.380 nan 0.000 0.543 519 L N 0.075 121.354 121.223 0.093 0.000 2.578 519 L HA 0.029 4.369 4.340 -0.000 0.000 0.279 519 L C 1.662 178.566 176.870 0.055 0.000 1.227 519 L CA 1.222 56.121 54.840 0.099 0.000 0.900 519 L CB 0.171 42.290 42.059 0.099 0.000 1.144 519 L HN 0.623 nan 8.230 nan 0.000 0.496 520 G N 2.494 111.331 108.800 0.062 0.000 2.148 520 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.254 520 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.254 520 G C 0.098 175.025 174.900 0.046 0.000 0.981 520 G CA 0.114 45.241 45.100 0.045 0.000 0.670 520 G HN 1.016 nan 8.290 nan 0.000 0.528 521 A N -0.722 122.138 122.820 0.067 0.000 2.354 521 A HA 0.910 5.230 4.320 -0.000 0.000 0.321 521 A C 0.191 177.861 177.584 0.143 0.000 1.125 521 A CA -0.179 51.908 52.037 0.083 0.000 0.799 521 A CB 1.133 20.158 19.000 0.041 0.000 1.293 521 A HN 0.764 nan 8.150 nan 0.000 0.452 522 R N 1.468 122.068 120.500 0.168 0.000 2.287 522 R HA 0.371 4.711 4.340 -0.000 0.000 0.316 522 R C -1.628 174.843 176.300 0.285 0.000 1.050 522 R CA -0.198 56.005 56.100 0.171 0.000 0.983 522 R CB 0.535 30.900 30.300 0.108 0.000 1.140 522 R HN 0.768 nan 8.270 nan 0.000 0.528 523 W N 4.201 125.510 121.300 0.015 0.000 3.259 523 W HA 0.223 4.883 4.660 -0.000 0.000 0.331 523 W C -1.278 175.237 176.519 -0.008 0.000 1.144 523 W CA -0.613 56.732 57.345 -0.000 0.000 1.227 523 W CB 2.144 31.609 29.460 0.008 0.000 1.371 523 W HN 0.586 nan 8.180 nan 0.000 0.491 524 S N 4.837 120.268 115.700 -0.449 0.000 2.537 524 S HA 0.510 4.980 4.470 -0.000 0.000 0.275 524 S C -0.124 174.229 174.600 -0.411 0.000 1.272 524 S CA -0.670 57.315 58.200 -0.358 0.000 1.050 524 S CB 1.440 64.400 63.200 -0.399 0.000 0.961 524 S HN 0.429 nan 8.310 nan 0.000 0.496 525 L N 2.988 124.152 121.223 -0.100 0.000 2.499 525 L HA 0.061 4.401 4.340 -0.000 0.000 0.273 525 L C 1.091 177.921 176.870 -0.066 0.000 1.195 525 L CA -0.372 54.486 54.840 0.030 0.000 0.882 525 L CB 0.096 42.224 42.059 0.116 0.000 1.133 525 L HN 0.738 nan 8.230 nan 0.000 0.483 526 D N 1.883 122.256 120.400 -0.046 0.000 2.190 526 D HA -0.217 4.423 4.640 -0.000 0.000 0.200 526 D C 1.748 178.018 176.300 -0.050 0.000 0.992 526 D CA 1.700 55.641 54.000 -0.099 0.000 0.854 526 D CB 0.032 40.776 40.800 -0.093 0.000 0.936 526 D HN 0.509 nan 8.370 nan 0.000 0.462 527 Y N -0.178 120.151 120.300 0.048 0.000 2.293 527 Y HA -0.054 4.496 4.550 -0.000 0.000 0.291 527 Y C 2.250 178.163 175.900 0.022 0.000 1.137 527 Y CA 0.674 58.800 58.100 0.042 0.000 1.202 527 Y CB -0.193 38.294 38.460 0.045 0.000 0.990 527 Y HN -0.021 nan 8.280 nan 0.000 0.537 528 M N -0.823 118.861 119.600 0.139 0.000 2.509 528 M HA -0.022 4.458 4.480 -0.000 0.000 0.250 528 M C 1.012 177.305 176.300 -0.011 0.000 1.132 528 M CA 0.540 55.866 55.300 0.043 0.000 1.080 528 M CB -0.621 31.967 32.600 -0.020 0.000 1.408 528 M HN 0.136 nan 8.290 nan 0.000 0.484 529 D N 1.682 122.060 120.400 -0.036 0.000 2.133 529 D HA -0.148 4.492 4.640 -0.000 0.000 0.195 529 D C 1.078 177.478 176.300 0.168 0.000 0.997 529 D CA 1.233 55.183 54.000 -0.084 0.000 0.840 529 D CB -0.190 40.510 40.800 -0.166 0.000 0.947 529 D HN 0.304 nan 8.370 nan 0.000 0.452 530 N N -0.152 118.692 118.700 0.241 0.000 2.313 530 N HA 0.044 4.784 4.740 -0.000 0.000 0.207 530 N C -0.577 175.147 175.510 0.357 0.000 1.141 530 N CA 0.003 53.258 53.050 0.342 0.000 0.830 530 N CB 0.943 39.565 38.487 0.226 0.000 1.008 530 N HN -0.003 nan 8.380 nan 0.000 0.481 531 V N 1.542 121.577 119.914 0.201 0.000 2.439 531 V HA 0.137 4.257 4.120 -0.000 0.000 0.282 531 V C 0.577 176.554 176.094 -0.195 0.000 1.039 531 V CA -1.172 61.178 62.300 0.083 0.000 0.913 531 V CB 1.431 33.280 31.823 0.042 0.000 0.983 531 V HN 0.193 nan 8.190 nan 0.000 0.460 532 N N 7.815 126.291 118.700 -0.373 0.000 2.386 532 N HA 0.007 4.747 4.740 -0.000 0.000 0.273 532 N C -1.157 174.076 175.510 -0.461 0.000 1.331 532 N CA -1.048 51.469 53.050 -0.888 0.000 0.891 532 N CB 1.303 39.637 38.487 -0.255 0.000 1.139 532 N HN 0.405 nan 8.380 nan 0.000 0.487 533 P HA -0.063 nan 4.420 nan 0.000 0.229 533 P C 0.846 177.848 177.300 -0.497 0.000 1.160 533 P CA 0.911 63.628 63.100 -0.638 0.000 0.777 533 P CB 0.016 31.076 31.700 -1.067 0.000 0.814 534 F N 0.207 120.134 119.950 -0.039 0.000 2.512 534 F HA 0.072 4.599 4.527 -0.000 0.000 0.296 534 F C 1.194 177.045 175.800 0.085 0.000 1.110 534 F CA 0.290 58.339 58.000 0.082 0.000 1.446 534 F CB -0.994 38.072 39.000 0.109 0.000 1.092 534 F HN -0.154 nan 8.300 nan 0.000 0.554 535 N N 1.244 120.071 118.700 0.210 0.000 2.895 535 N HA -0.010 4.730 4.740 -0.000 0.000 0.277 535 N C -0.658 174.979 175.510 0.212 0.000 1.185 535 N CA 0.377 53.554 53.050 0.213 0.000 1.106 535 N CB -0.576 38.042 38.487 0.219 0.000 1.422 535 N HN 0.278 nan 8.380 nan 0.000 0.521 536 H N 0.589 119.688 119.070 0.048 0.000 3.012 536 H HA 0.063 4.619 4.556 -0.000 0.000 0.367 536 H C 0.827 176.198 175.328 0.072 0.000 1.211 536 H CA -0.392 55.581 56.048 -0.125 0.000 1.139 536 H CB 1.249 30.738 29.762 -0.455 0.000 1.838 536 H HN 0.450 nan 8.280 nan 0.000 0.550 537 H N 2.588 121.699 119.070 0.069 0.000 2.559 537 H HA 0.082 4.638 4.556 -0.000 0.000 0.273 537 H C 0.366 175.889 175.328 0.325 0.000 1.000 537 H CA 0.336 56.574 56.048 0.318 0.000 1.195 537 H CB 0.266 30.197 29.762 0.282 0.000 1.368 537 H HN 0.358 nan 8.280 nan 0.000 0.592 538 R N 1.088 121.615 120.500 0.044 0.000 2.466 538 R HA 0.076 4.416 4.340 -0.000 0.000 0.279 538 R C -0.007 176.290 176.300 -0.004 0.000 0.976 538 R CA -0.174 55.903 56.100 -0.039 0.000 1.081 538 R CB -0.065 30.126 30.300 -0.182 0.000 1.215 538 R HN 0.386 nan 8.270 nan 0.000 0.546 539 N N 0.703 119.435 118.700 0.054 0.000 2.415 539 N HA 0.061 4.801 4.740 -0.000 0.000 0.250 539 N C 1.027 176.557 175.510 0.033 0.000 1.127 539 N CA -0.242 52.851 53.050 0.070 0.000 0.945 539 N CB 1.035 39.605 38.487 0.140 0.000 1.196 539 N HN 0.083 nan 8.380 nan 0.000 0.499 540 A N 3.669 126.518 122.820 0.049 0.000 1.908 540 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 540 A C 2.028 179.660 177.584 0.079 0.000 1.181 540 A CA 1.864 53.950 52.037 0.082 0.000 0.627 540 A CB -1.092 17.990 19.000 0.137 0.000 0.818 540 A HN 0.783 nan 8.150 nan 0.000 0.445 541 G N -0.115 108.715 108.800 0.050 0.000 2.459 541 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.217 541 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.217 541 G C 1.494 176.348 174.900 -0.077 0.000 1.183 541 G CA 1.281 46.315 45.100 -0.109 0.000 0.776 541 G HN 0.585 nan 8.290 nan 0.000 0.552 542 L N 0.716 121.930 121.223 -0.016 0.000 2.046 542 L HA 0.075 4.415 4.340 -0.000 0.000 0.208 542 L C 2.676 179.499 176.870 -0.079 0.000 1.077 542 L CA 2.284 57.119 54.840 -0.008 0.000 0.747 542 L CB -0.763 41.328 42.059 0.054 0.000 0.896 542 L HN 0.261 nan 8.230 nan 0.000 0.432 543 R N -1.850 118.529 120.500 -0.202 0.000 2.091 543 R HA -0.269 4.071 4.340 -0.000 0.000 0.238 543 R C 2.422 178.622 176.300 -0.167 0.000 1.136 543 R CA 2.059 57.874 56.100 -0.475 0.000 0.959 543 R CB -0.664 29.326 30.300 -0.517 0.000 0.856 543 R HN 0.576 nan 8.270 nan 0.000 0.437 544 Y N 0.667 120.869 120.300 -0.164 0.000 2.163 544 Y HA -0.167 4.383 4.550 -0.000 0.000 0.288 544 Y C 2.138 177.981 175.900 -0.094 0.000 1.136 544 Y CA 1.762 59.798 58.100 -0.106 0.000 1.147 544 Y CB -0.017 38.333 38.460 -0.183 0.000 0.987 544 Y HN -0.038 nan 8.280 nan 0.000 0.509 545 R N -0.529 119.937 120.500 -0.057 0.000 2.148 545 R HA -0.132 4.208 4.340 -0.000 0.000 0.227 545 R C 2.746 179.007 176.300 -0.065 0.000 1.103 545 R CA 1.205 57.250 56.100 -0.092 0.000 0.983 545 R CB -0.438 29.843 30.300 -0.031 0.000 0.874 545 R HN 0.297 nan 8.270 nan 0.000 0.451 546 S N 0.164 115.856 115.700 -0.014 0.000 2.357 546 S HA -0.084 4.386 4.470 -0.000 0.000 0.221 546 S C 1.805 176.459 174.600 0.090 0.000 1.031 546 S CA 1.038 59.295 58.200 0.094 0.000 0.982 546 S CB 0.053 63.433 63.200 0.299 0.000 0.853 546 S HN 0.215 nan 8.310 nan 0.000 0.458 547 M N 0.495 120.109 119.600 0.023 0.000 2.492 547 M HA 0.073 4.553 4.480 -0.000 0.000 0.262 547 M C 1.729 177.977 176.300 -0.088 0.000 1.090 547 M CA 0.397 55.706 55.300 0.015 0.000 1.110 547 M CB -0.195 32.409 32.600 0.007 0.000 1.407 547 M HN 0.284 nan 8.290 nan 0.000 0.470 548 L N 0.394 121.492 121.223 -0.208 0.000 2.141 548 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 548 L C 1.926 178.767 176.870 -0.048 0.000 1.094 548 L CA 1.734 56.442 54.840 -0.220 0.000 0.763 548 L CB -0.379 41.493 42.059 -0.310 0.000 0.908 548 L HN 0.284 nan 8.230 nan 0.000 0.437 549 L N -1.887 119.336 121.223 0.001 0.000 2.209 549 L HA 0.304 4.644 4.340 -0.000 0.000 0.207 549 L C 1.094 177.995 176.870 0.052 0.000 1.094 549 L CA 0.455 55.328 54.840 0.054 0.000 0.790 549 L CB -0.324 41.749 42.059 0.023 0.000 0.932 549 L HN 0.409 nan 8.230 nan 0.000 0.447 550 G N -0.054 108.780 108.800 0.056 0.000 2.346 550 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.294 550 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.294 550 G C -0.629 174.371 174.900 0.166 0.000 1.294 550 G CA -0.044 45.108 45.100 0.088 0.000 0.962 550 G HN 0.073 nan 8.290 nan 0.000 0.508 551 N N -0.044 118.768 118.700 0.186 0.000 2.187 551 N HA 0.339 5.079 4.740 -0.000 0.000 0.212 551 N C 0.716 176.429 175.510 0.338 0.000 1.152 551 N CA 0.762 53.974 53.050 0.270 0.000 0.872 551 N CB 1.150 39.732 38.487 0.159 0.000 1.025 551 N HN 1.070 nan 8.380 nan 0.000 0.514 552 G N 0.196 109.155 108.800 0.266 0.000 2.489 552 G HA2 0.326 4.286 3.960 -0.000 0.000 0.327 552 G HA3 0.326 4.286 3.960 -0.000 0.000 0.327 552 G C 0.420 175.372 174.900 0.087 0.000 1.189 552 G CA -0.790 44.436 45.100 0.209 0.000 0.962 552 G HN 0.138 nan 8.290 nan 0.000 0.486 553 R N -0.760 119.717 120.500 -0.038 0.000 2.075 553 R HA -0.008 4.332 4.340 -0.000 0.000 0.232 553 R C -0.254 175.778 176.300 -0.446 0.000 1.126 553 R CA 0.829 56.730 56.100 -0.332 0.000 0.963 553 R CB -0.239 29.741 30.300 -0.534 0.000 0.858 553 R HN 0.457 nan 8.270 nan 0.000 0.435 554 Y N 0.631 120.923 120.300 -0.013 0.000 2.383 554 Y HA 0.367 4.917 4.550 -0.000 0.000 0.344 554 Y C -0.591 175.309 175.900 -0.000 0.000 0.986 554 Y CA -0.778 57.315 58.100 -0.013 0.000 1.175 554 Y CB 1.734 40.197 38.460 0.005 0.000 1.152 554 Y HN -0.243 nan 8.280 nan 0.000 0.511 555 V N 6.122 126.121 119.914 0.143 0.000 2.524 555 V HA 0.384 4.504 4.120 -0.000 0.000 0.297 555 V C -2.496 173.708 176.094 0.184 0.000 1.035 555 V CA -2.014 60.366 62.300 0.134 0.000 0.867 555 V CB 2.269 34.143 31.823 0.085 0.000 1.004 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 P HA 0.369 nan 4.420 nan 0.000 0.292 556 P C -0.928 176.437 177.300 0.109 0.000 1.326 556 P CA -0.170 62.955 63.100 0.042 0.000 0.787 556 P CB 0.660 32.361 31.700 0.001 0.000 0.903 557 F N 1.199 121.226 119.950 0.127 0.000 2.440 557 F HA 0.650 5.177 4.527 -0.000 0.000 0.328 557 F C -0.377 175.532 175.800 0.181 0.000 1.070 557 F CA -1.164 56.942 58.000 0.177 0.000 1.011 557 F CB 1.426 40.601 39.000 0.292 0.000 1.226 557 F HN 0.403 nan 8.300 nan 0.000 0.491 558 H N 3.871 123.083 119.070 0.237 0.000 3.181 558 H HA 0.581 5.137 4.556 -0.000 0.000 0.331 558 H C -1.478 173.914 175.328 0.108 0.000 0.988 558 H CA -0.915 55.192 56.048 0.098 0.000 1.449 558 H CB 1.422 31.200 29.762 0.026 0.000 1.749 558 H HN 0.894 nan 8.280 nan 0.000 0.501 559 I N 0.952 121.642 120.570 0.200 0.000 3.145 559 I HA 0.534 4.704 4.170 -0.000 0.000 0.313 559 I C -1.557 174.475 176.117 -0.141 0.000 1.122 559 I CA -1.273 59.972 61.300 -0.090 0.000 0.987 559 I CB 2.679 40.462 38.000 -0.362 0.000 1.236 559 I HN 0.389 nan 8.210 nan 0.000 0.453 560 Q N 2.383 122.061 119.800 -0.204 0.000 2.333 560 Q HA 0.628 4.968 4.340 -0.000 0.000 0.268 560 Q C -1.218 174.838 176.000 0.093 0.000 1.007 560 Q CA -0.547 55.191 55.803 -0.110 0.000 0.810 560 Q CB 2.536 30.943 28.738 -0.552 0.000 1.264 560 Q HN 0.548 nan 8.270 nan 0.000 0.452 561 V N 4.854 124.874 119.914 0.176 0.000 2.417 561 V HA 0.576 4.696 4.120 -0.000 0.000 0.291 561 V C -2.137 174.076 176.094 0.198 0.000 1.024 561 V CA -1.830 60.575 62.300 0.176 0.000 0.861 561 V CB 1.556 33.430 31.823 0.084 0.000 0.985 561 V HN 0.710 nan 8.190 nan 0.000 0.436 562 P HA 0.269 nan 4.420 nan 0.000 0.279 562 P C -1.250 175.892 177.300 -0.264 0.000 1.252 562 P CA -0.618 62.250 63.100 -0.387 0.000 0.811 562 P CB 1.328 32.452 31.700 -0.961 0.000 1.035 563 Q N 1.377 121.006 119.800 -0.285 0.000 2.274 563 Q HA 0.187 4.527 4.340 -0.000 0.000 0.256 563 Q C 0.315 176.174 176.000 -0.235 0.000 0.927 563 Q CA 0.456 56.121 55.803 -0.229 0.000 0.939 563 Q CB 0.866 29.471 28.738 -0.221 0.000 1.201 563 Q HN 0.296 nan 8.270 nan 0.000 0.426 564 K N 3.413 123.708 120.400 -0.175 0.000 2.380 564 K HA 0.152 4.472 4.320 -0.000 0.000 0.198 564 K C -0.333 176.191 176.600 -0.127 0.000 1.070 564 K CA -0.269 55.817 56.287 -0.336 0.000 1.040 564 K CB 0.421 32.509 32.500 -0.688 0.000 0.903 564 K HN 0.478 nan 8.250 nan 0.000 0.549 565 F N 2.842 122.719 119.950 -0.123 0.000 2.590 565 F HA -0.077 4.450 4.527 -0.000 0.000 0.389 565 F C 1.111 176.898 175.800 -0.020 0.000 1.049 565 F CA -1.128 56.885 58.000 0.021 0.000 1.199 565 F CB 0.198 39.343 39.000 0.241 0.000 1.058 565 F HN 0.058 nan 8.300 nan 0.000 0.556 566 F N 4.301 123.928 119.950 -0.537 0.000 2.161 566 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 566 F C 1.767 177.322 175.800 -0.408 0.000 1.089 566 F CA 1.335 59.105 58.000 -0.383 0.000 1.282 566 F CB -1.210 37.623 39.000 -0.279 0.000 1.010 566 F HN 0.391 nan 8.300 nan 0.000 0.485 567 A N 1.194 123.069 122.820 -1.575 0.000 2.067 567 A HA 0.037 4.357 4.320 -0.000 0.000 0.219 567 A C 2.103 179.382 177.584 -0.508 0.000 1.158 567 A CA 1.634 53.106 52.037 -0.941 0.000 0.661 567 A CB -1.115 17.458 19.000 -0.711 0.000 0.801 567 A HN 0.796 nan 8.150 nan 0.000 0.452 568 I N -4.737 115.622 120.570 -0.352 0.000 4.526 568 I HA 0.216 4.386 4.170 -0.000 0.000 0.330 568 I C 1.620 177.539 176.117 -0.331 0.000 1.323 568 I CA 0.547 61.670 61.300 -0.294 0.000 1.218 568 I CB 0.001 37.957 38.000 -0.073 0.000 1.233 568 I HN 0.140 nan 8.210 nan 0.000 0.430 569 K N 1.973 122.194 120.400 -0.299 0.000 2.152 569 K HA -0.079 4.241 4.320 -0.000 0.000 0.206 569 K C 0.562 177.021 176.600 -0.235 0.000 1.048 569 K CA 1.922 58.076 56.287 -0.222 0.000 0.933 569 K CB -0.176 32.246 32.500 -0.131 0.000 0.721 569 K HN 0.409 nan 8.250 nan 0.000 0.447 570 N N 0.812 119.291 118.700 -0.369 0.000 2.238 570 N HA 0.070 4.810 4.740 -0.000 0.000 0.235 570 N C -0.630 174.749 175.510 -0.218 0.000 1.209 570 N CA -0.315 52.605 53.050 -0.217 0.000 0.879 570 N CB 0.573 39.031 38.487 -0.047 0.000 1.136 570 N HN 0.115 nan 8.380 nan 0.000 0.517 571 L N 1.622 122.612 121.223 -0.387 0.000 2.453 571 L HA 0.200 4.540 4.340 -0.000 0.000 0.272 571 L C -0.201 176.624 176.870 -0.075 0.000 1.182 571 L CA -0.222 54.506 54.840 -0.187 0.000 0.858 571 L CB 0.511 42.411 42.059 -0.264 0.000 1.120 571 L HN -0.022 nan 8.230 nan 0.000 0.474 572 L N 5.880 127.119 121.223 0.026 0.000 2.259 572 L HA 0.421 4.761 4.340 -0.000 0.000 0.288 572 L C -0.835 176.008 176.870 -0.044 0.000 1.051 572 L CA 0.088 54.921 54.840 -0.011 0.000 0.824 572 L CB 0.606 42.681 42.059 0.028 0.000 1.206 572 L HN 0.592 nan 8.230 nan 0.000 0.429 573 L N 5.720 126.878 121.223 -0.109 0.000 2.290 573 L HA 0.390 4.730 4.340 -0.000 0.000 0.284 573 L C -0.057 176.801 176.870 -0.020 0.000 1.078 573 L CA 0.226 54.972 54.840 -0.157 0.000 0.815 573 L CB 0.998 42.852 42.059 -0.342 0.000 1.162 573 L HN 0.556 nan 8.230 nan 0.000 0.435 574 L N 4.543 125.793 121.223 0.046 0.000 2.469 574 L HA 0.452 4.792 4.340 -0.000 0.000 0.253 574 L C -2.006 175.004 176.870 0.233 0.000 1.143 574 L CA -2.105 52.809 54.840 0.125 0.000 0.804 574 L CB 0.101 42.217 42.059 0.096 0.000 1.214 574 L HN 0.367 nan 8.230 nan 0.000 0.476 575 P HA 0.153 nan 4.420 nan 0.000 0.265 575 P C -0.171 177.219 177.300 0.151 0.000 1.187 575 P CA 0.480 63.683 63.100 0.171 0.000 0.766 575 P CB 0.515 32.271 31.700 0.095 0.000 0.820 576 G N 0.628 109.473 108.800 0.074 0.000 2.368 576 G HA2 0.242 4.202 3.960 -0.000 0.000 0.302 576 G HA3 0.242 4.202 3.960 -0.000 0.000 0.302 576 G C -1.452 173.238 174.900 -0.350 0.000 1.329 576 G CA -0.607 44.376 45.100 -0.195 0.000 0.935 576 G HN 0.341 nan 8.290 nan 0.000 0.590 577 S N -0.228 115.149 115.700 -0.538 0.000 2.454 577 S HA 0.804 5.274 4.470 -0.000 0.000 0.306 577 S C -1.301 172.943 174.600 -0.594 0.000 1.100 577 S CA -0.346 57.637 58.200 -0.363 0.000 1.087 577 S CB 0.832 63.942 63.200 -0.151 0.000 1.019 577 S HN 0.491 nan 8.310 nan 0.000 0.480 578 Y N 0.341 120.646 120.300 0.008 0.000 2.499 578 Y HA 0.499 5.049 4.550 -0.000 0.000 0.347 578 Y C 0.631 176.564 175.900 0.056 0.000 0.987 578 Y CA -0.999 57.113 58.100 0.020 0.000 1.044 578 Y CB 1.458 39.911 38.460 -0.012 0.000 1.245 578 Y HN 0.442 nan 8.280 nan 0.000 0.461 579 T N 2.654 117.350 114.554 0.236 0.000 2.743 579 T HA 0.294 4.644 4.350 -0.000 0.000 0.293 579 T C -1.510 173.396 174.700 0.343 0.000 0.945 579 T CA -0.198 62.036 62.100 0.224 0.000 1.030 579 T CB -0.297 68.658 68.868 0.146 0.000 0.912 579 T HN 0.635 nan 8.240 nan 0.000 0.483 580 Y N 4.445 124.880 120.300 0.225 0.000 2.345 580 Y HA 0.498 5.048 4.550 -0.000 0.000 0.331 580 Y C -0.199 175.950 175.900 0.414 0.000 0.959 580 Y CA -0.898 57.382 58.100 0.300 0.000 1.204 580 Y CB 0.802 39.411 38.460 0.248 0.000 1.135 580 Y HN 0.689 nan 8.280 nan 0.000 0.477 581 E N 6.692 127.114 120.200 0.370 0.000 2.293 581 E HA 0.251 4.601 4.350 -0.000 0.000 0.270 581 E C -1.987 174.688 176.600 0.126 0.000 0.879 581 E CA -0.607 55.901 56.400 0.180 0.000 0.756 581 E CB 1.852 31.584 29.700 0.054 0.000 1.208 581 E HN 0.724 nan 8.360 nan 0.000 0.428 582 W N 2.659 123.855 121.300 -0.174 0.000 3.083 582 W HA 0.399 5.059 4.660 -0.000 0.000 0.333 582 W C -1.195 175.122 176.519 -0.336 0.000 1.217 582 W CA -0.622 56.520 57.345 -0.339 0.000 1.170 582 W CB 2.211 31.323 29.460 -0.580 0.000 1.437 582 W HN 0.526 nan 8.180 nan 0.000 0.557 583 N N 2.033 120.490 118.700 -0.405 0.000 2.361 583 N HA 0.503 5.243 4.740 -0.000 0.000 0.302 583 N C -1.538 173.913 175.510 -0.097 0.000 1.074 583 N CA -0.246 52.727 53.050 -0.129 0.000 0.850 583 N CB 1.785 40.133 38.487 -0.231 0.000 1.228 583 N HN 0.041 nan 8.380 nan 0.000 0.491 584 F N 0.510 120.642 119.950 0.305 0.000 2.532 584 F HA 0.470 4.997 4.527 -0.000 0.000 0.321 584 F C 0.986 177.006 175.800 0.367 0.000 1.089 584 F CA -0.874 57.258 58.000 0.219 0.000 0.926 584 F CB 1.461 40.425 39.000 -0.059 0.000 1.168 584 F HN 0.037 nan 8.300 nan 0.000 0.459 585 R N 1.604 122.297 120.500 0.323 0.000 2.531 585 R HA 0.366 4.706 4.340 -0.000 0.000 0.273 585 R C 0.356 176.939 176.300 0.472 0.000 1.070 585 R CA -0.500 55.772 56.100 0.287 0.000 1.112 585 R CB 1.148 31.423 30.300 -0.041 0.000 1.049 585 R HN 0.701 nan 8.270 nan 0.000 0.508 586 K N 0.434 121.080 120.400 0.410 0.000 2.402 586 K HA 0.019 4.339 4.320 -0.000 0.000 0.203 586 K C -0.337 176.389 176.600 0.211 0.000 1.077 586 K CA -0.106 56.346 56.287 0.274 0.000 1.051 586 K CB 0.513 33.150 32.500 0.228 0.000 0.907 586 K HN 0.475 nan 8.250 nan 0.000 0.554 587 D N 2.098 122.665 120.400 0.279 0.000 2.363 587 D HA -0.044 4.596 4.640 -0.000 0.000 0.263 587 D C 1.374 177.774 176.300 0.167 0.000 1.258 587 D CA -0.080 54.082 54.000 0.270 0.000 0.907 587 D CB 1.219 42.200 40.800 0.301 0.000 1.107 587 D HN -0.046 nan 8.370 nan 0.000 0.495 588 V N 2.299 122.282 119.914 0.115 0.000 2.568 588 V HA -0.210 3.910 4.120 -0.000 0.000 0.253 588 V C 1.585 177.708 176.094 0.048 0.000 1.072 588 V CA 1.353 63.681 62.300 0.046 0.000 1.084 588 V CB -0.601 31.218 31.823 -0.006 0.000 0.676 588 V HN 0.395 nan 8.190 nan 0.000 0.469 589 N N -0.299 118.455 118.700 0.090 0.000 2.459 589 N HA 0.064 4.804 4.740 -0.000 0.000 0.181 589 N C 1.526 177.169 175.510 0.222 0.000 1.046 589 N CA 1.294 54.405 53.050 0.101 0.000 0.904 589 N CB -0.033 38.513 38.487 0.099 0.000 0.964 589 N HN 0.457 nan 8.380 nan 0.000 0.444 590 M N -0.627 119.086 119.600 0.187 0.000 2.718 590 M HA 0.096 4.576 4.480 -0.000 0.000 0.259 590 M C 2.052 178.440 176.300 0.146 0.000 1.240 590 M CA 0.645 56.040 55.300 0.158 0.000 1.210 590 M CB -0.810 31.836 32.600 0.078 0.000 1.281 590 M HN 0.005 nan 8.290 nan 0.000 0.515 591 V N -1.501 118.508 119.914 0.158 0.000 2.951 591 V HA 0.160 4.280 4.120 -0.000 0.000 0.255 591 V C 1.046 177.253 176.094 0.188 0.000 1.088 591 V CA 0.451 62.890 62.300 0.232 0.000 1.109 591 V CB -0.498 31.510 31.823 0.309 0.000 0.724 591 V HN 0.187 nan 8.190 nan 0.000 0.471 592 L N 0.855 122.104 121.223 0.043 0.000 2.334 592 L HA 0.641 4.981 4.340 -0.000 0.000 0.270 592 L C -0.377 176.471 176.870 -0.037 0.000 1.018 592 L CA -0.394 54.398 54.840 -0.080 0.000 0.811 592 L CB 1.777 43.726 42.059 -0.182 0.000 1.271 592 L HN 0.267 nan 8.230 nan 0.000 0.443 593 Q N 1.063 120.828 119.800 -0.057 0.000 2.331 593 Q HA 0.524 4.864 4.340 -0.000 0.000 0.272 593 Q C -1.476 174.509 176.000 -0.026 0.000 1.062 593 Q CA -0.538 55.244 55.803 -0.034 0.000 0.806 593 Q CB 2.586 31.332 28.738 0.013 0.000 1.312 593 Q HN 0.771 nan 8.270 nan 0.000 0.431 594 S N 0.599 116.278 115.700 -0.035 0.000 2.600 594 S HA 0.403 4.873 4.470 -0.000 0.000 0.300 594 S C 0.566 175.206 174.600 0.067 0.000 1.087 594 S CA -0.079 58.133 58.200 0.020 0.000 0.965 594 S CB 1.701 64.888 63.200 -0.022 0.000 1.089 594 S HN 0.719 nan 8.310 nan 0.000 0.496 595 S N 0.967 116.757 115.700 0.150 0.000 2.436 595 S HA 0.010 4.480 4.470 -0.000 0.000 0.228 595 S C 1.360 176.069 174.600 0.183 0.000 1.014 595 S CA 0.247 58.569 58.200 0.204 0.000 0.950 595 S CB -0.541 62.852 63.200 0.322 0.000 0.784 595 S HN 0.495 nan 8.310 nan 0.000 0.504 596 L N 1.514 122.810 121.223 0.121 0.000 2.375 596 L HA 0.390 4.730 4.340 -0.000 0.000 0.215 596 L C 1.936 178.841 176.870 0.059 0.000 1.108 596 L CA 1.159 56.055 54.840 0.092 0.000 0.830 596 L CB -1.282 40.817 42.059 0.067 0.000 0.959 596 L HN 0.590 nan 8.230 nan 0.000 0.457 597 G N 0.135 108.925 108.800 -0.017 0.000 2.143 597 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.248 597 G C 0.391 175.213 174.900 -0.129 0.000 0.991 597 G CA 0.463 45.458 45.100 -0.175 0.000 0.689 597 G HN 0.553 nan 8.290 nan 0.000 0.522 598 N N 0.504 119.179 118.700 -0.041 0.000 2.371 598 N HA 0.240 4.980 4.740 -0.000 0.000 0.243 598 N C -0.382 175.091 175.510 -0.062 0.000 1.287 598 N CA -0.052 52.992 53.050 -0.010 0.000 0.911 598 N CB 0.607 39.129 38.487 0.059 0.000 1.142 598 N HN 0.115 nan 8.380 nan 0.000 0.451 599 D N 0.578 120.954 120.400 -0.041 0.000 2.348 599 D HA 0.070 4.710 4.640 -0.000 0.000 0.259 599 D C 1.034 177.309 176.300 -0.042 0.000 1.296 599 D CA -0.206 53.760 54.000 -0.058 0.000 0.931 599 D CB 0.021 40.800 40.800 -0.036 0.000 1.067 599 D HN 0.481 nan 8.370 nan 0.000 0.503 600 L N 3.732 124.919 121.223 -0.059 0.000 2.362 600 L HA -0.065 4.275 4.340 -0.000 0.000 0.219 600 L C 2.403 179.260 176.870 -0.021 0.000 1.134 600 L CA 0.446 55.258 54.840 -0.048 0.000 0.807 600 L CB -0.112 41.907 42.059 -0.066 0.000 0.927 600 L HN 0.303 nan 8.230 nan 0.000 0.447 601 R N -0.618 119.881 120.500 -0.001 0.000 2.090 601 R HA -0.057 4.283 4.340 -0.000 0.000 0.228 601 R C 2.176 178.489 176.300 0.023 0.000 1.110 601 R CA 0.971 57.090 56.100 0.031 0.000 0.973 601 R CB -0.447 29.892 30.300 0.064 0.000 0.869 601 R HN 0.203 nan 8.270 nan 0.000 0.440 602 V N 1.560 121.481 119.914 0.012 0.000 2.535 602 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 602 V C 0.807 176.904 176.094 0.007 0.000 1.045 602 V CA 1.459 63.767 62.300 0.012 0.000 1.058 602 V CB -0.196 31.633 31.823 0.009 0.000 0.689 602 V HN 0.165 nan 8.190 nan 0.000 0.461 603 D N 0.512 120.910 120.400 -0.003 0.000 2.519 603 D HA 0.228 4.868 4.640 -0.000 0.000 0.238 603 D C 1.615 177.896 176.300 -0.030 0.000 1.192 603 D CA 0.875 54.868 54.000 -0.012 0.000 0.835 603 D CB -0.083 40.707 40.800 -0.015 0.000 0.975 603 D HN 0.457 nan 8.370 nan 0.000 0.490 604 G N 0.612 109.402 108.800 -0.017 0.000 2.166 604 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 604 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 604 G C 0.644 175.524 174.900 -0.033 0.000 0.986 604 G CA 0.304 45.393 45.100 -0.018 0.000 0.683 604 G HN 0.617 nan 8.290 nan 0.000 0.527 605 A N -0.546 122.245 122.820 -0.049 0.000 2.462 605 A HA 0.743 5.063 4.320 -0.000 0.000 0.243 605 A C 0.657 178.212 177.584 -0.049 0.000 1.076 605 A CA 1.104 53.096 52.037 -0.074 0.000 0.773 605 A CB 0.901 19.844 19.000 -0.094 0.000 1.010 605 A HN 1.646 nan 8.150 nan 0.000 0.493 606 S N 0.926 116.593 115.700 -0.055 0.000 2.546 606 S HA 0.721 5.191 4.470 -0.000 0.000 0.274 606 S C -1.144 173.427 174.600 -0.048 0.000 1.121 606 S CA -0.519 57.660 58.200 -0.034 0.000 0.887 606 S CB 0.917 64.114 63.200 -0.004 0.000 1.094 606 S HN 1.005 nan 8.310 nan 0.000 0.474 607 I N 2.841 123.370 120.570 -0.068 0.000 2.722 607 I HA 0.604 4.774 4.170 -0.000 0.000 0.295 607 I C -1.564 174.435 176.117 -0.197 0.000 1.161 607 I CA -0.566 60.675 61.300 -0.099 0.000 1.032 607 I CB 1.891 39.795 38.000 -0.161 0.000 1.244 607 I HN 0.733 nan 8.210 nan 0.000 0.421 608 K N 6.667 126.964 120.400 -0.172 0.000 2.468 608 K HA 0.492 4.812 4.320 -0.000 0.000 0.252 608 K C -1.990 174.467 176.600 -0.238 0.000 0.932 608 K CA -0.516 55.635 56.287 -0.228 0.000 0.794 608 K CB 1.576 34.023 32.500 -0.088 0.000 1.241 608 K HN 0.491 nan 8.250 nan 0.000 0.428 609 F N 3.785 123.675 119.950 -0.100 0.000 2.371 609 F HA 0.165 4.692 4.527 -0.000 0.000 0.363 609 F C 0.943 176.569 175.800 -0.290 0.000 1.122 609 F CA -0.739 57.084 58.000 -0.296 0.000 1.129 609 F CB 1.258 39.818 39.000 -0.733 0.000 1.173 609 F HN 0.636 nan 8.300 nan 0.000 0.489 610 D N 0.992 121.357 120.400 -0.058 0.000 2.149 610 D HA -0.042 4.598 4.640 -0.000 0.000 0.206 610 D C 0.739 177.018 176.300 -0.034 0.000 0.967 610 D CA 1.148 55.114 54.000 -0.056 0.000 0.848 610 D CB 0.296 41.035 40.800 -0.101 0.000 0.998 610 D HN 0.443 nan 8.370 nan 0.000 0.474 611 S N -0.655 115.001 115.700 -0.075 0.000 2.537 611 S HA 0.596 5.066 4.470 -0.000 0.000 0.270 611 S C -1.023 173.547 174.600 -0.051 0.000 1.142 611 S CA -0.984 57.199 58.200 -0.028 0.000 0.870 611 S CB 2.183 65.373 63.200 -0.016 0.000 1.112 611 S HN 0.120 nan 8.310 nan 0.000 0.466 612 I N 1.829 122.415 120.570 0.028 0.000 2.534 612 I HA 0.699 4.869 4.170 -0.000 0.000 0.288 612 I C -1.311 174.984 176.117 0.298 0.000 1.077 612 I CA -0.364 60.975 61.300 0.065 0.000 1.051 612 I CB 1.124 39.067 38.000 -0.094 0.000 1.234 612 I HN 0.966 nan 8.210 nan 0.000 0.425 613 C N 5.948 125.438 119.300 0.317 0.000 2.771 613 C HA 0.710 5.170 4.460 -0.000 0.000 0.333 613 C C -0.667 174.428 174.990 0.175 0.000 1.267 613 C CA -0.641 58.574 59.018 0.328 0.000 1.721 613 C CB 1.766 29.622 27.740 0.192 0.000 2.222 613 C HN 0.668 nan 8.230 nan 0.000 0.485 614 L N 1.640 122.797 121.223 -0.109 0.000 2.333 614 L HA 0.621 4.961 4.340 -0.000 0.000 0.280 614 L C -1.475 175.285 176.870 -0.183 0.000 1.004 614 L CA -0.038 54.633 54.840 -0.282 0.000 0.820 614 L CB 0.452 42.077 42.059 -0.723 0.000 1.247 614 L HN 0.664 nan 8.230 nan 0.000 0.416 615 Y N 3.575 123.689 120.300 -0.311 0.000 2.446 615 Y HA 0.829 5.379 4.550 -0.000 0.000 0.338 615 Y C 0.134 175.851 175.900 -0.304 0.000 1.055 615 Y CA -0.326 57.566 58.100 -0.347 0.000 1.101 615 Y CB 2.298 40.337 38.460 -0.701 0.000 1.221 615 Y HN 0.777 nan 8.280 nan 0.000 0.460 616 A N 1.587 124.455 122.820 0.080 0.000 2.459 616 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 616 A C -1.134 176.510 177.584 0.100 0.000 1.039 616 A CA -0.694 51.359 52.037 0.026 0.000 0.698 616 A CB 1.111 20.179 19.000 0.113 0.000 1.261 616 A HN 0.587 nan 8.150 nan 0.000 0.405 617 T N 2.069 116.609 114.554 -0.023 0.000 2.823 617 T HA 0.676 5.026 4.350 -0.000 0.000 0.279 617 T C -1.056 173.649 174.700 0.008 0.000 0.998 617 T CA 0.081 62.255 62.100 0.124 0.000 0.994 617 T CB 0.327 69.278 68.868 0.137 0.000 0.960 617 T HN 0.331 nan 8.240 nan 0.000 0.448 618 F N 1.930 121.950 119.950 0.116 0.000 2.482 618 F HA 0.507 5.034 4.527 -0.000 0.000 0.331 618 F C 0.040 175.935 175.800 0.157 0.000 1.115 618 F CA -1.850 56.235 58.000 0.142 0.000 0.955 618 F CB 0.912 39.990 39.000 0.130 0.000 1.136 618 F HN 0.531 nan 8.300 nan 0.000 0.452 619 F N 6.328 126.407 119.950 0.214 0.000 2.578 619 F HA 0.242 4.769 4.527 -0.000 0.000 0.376 619 F C -1.600 174.298 175.800 0.163 0.000 1.085 619 F CA -1.879 56.209 58.000 0.146 0.000 1.260 619 F CB 0.702 39.764 39.000 0.103 0.000 1.095 619 F HN 0.241 nan 8.300 nan 0.000 0.573 620 P HA 0.003 nan 4.420 nan 0.000 0.225 620 P C -0.264 177.023 177.300 -0.021 0.000 1.768 620 P CA 0.005 63.042 63.100 -0.104 0.000 0.943 620 P CB -0.127 31.456 31.700 -0.195 0.000 1.936 621 M N 1.514 121.307 119.600 0.321 0.000 2.249 621 M HA 0.245 4.725 4.480 -0.000 0.000 0.340 621 M C 0.308 176.727 176.300 0.199 0.000 1.166 621 M CA -0.116 55.437 55.300 0.422 0.000 1.115 621 M CB 0.640 33.512 32.600 0.454 0.000 1.606 621 M HN 0.162 nan 8.290 nan 0.000 0.448 622 A N 4.068 126.976 122.820 0.146 0.000 2.540 622 A HA 0.002 4.322 4.320 -0.000 0.000 0.239 622 A C 0.494 178.154 177.584 0.125 0.000 1.061 622 A CA 0.234 52.297 52.037 0.043 0.000 0.758 622 A CB -0.304 18.735 19.000 0.065 0.000 0.991 622 A HN 1.108 nan 8.150 nan 0.000 0.502 623 H N 1.901 121.017 119.070 0.076 0.000 2.422 623 H HA -0.176 4.380 4.556 -0.000 0.000 0.298 623 H C 1.954 177.318 175.328 0.061 0.000 1.098 623 H CA 1.400 57.488 56.048 0.065 0.000 1.315 623 H CB 0.188 29.979 29.762 0.049 0.000 1.382 623 H HN 0.895 nan 8.280 nan 0.000 0.523 624 N N 0.587 119.392 118.700 0.175 0.000 2.188 624 N HA -0.108 4.632 4.740 -0.000 0.000 0.184 624 N C 1.560 177.131 175.510 0.101 0.000 1.018 624 N CA 1.616 54.736 53.050 0.118 0.000 0.858 624 N CB -0.757 37.787 38.487 0.095 0.000 0.989 624 N HN 0.206 nan 8.380 nan 0.000 0.426 625 T N 1.213 115.830 114.554 0.105 0.000 2.737 625 T HA 0.097 4.447 4.350 -0.000 0.000 0.265 625 T C 2.202 176.955 174.700 0.089 0.000 1.038 625 T CA 1.581 63.733 62.100 0.086 0.000 1.144 625 T CB -0.488 68.430 68.868 0.085 0.000 0.866 625 T HN 0.487 nan 8.240 nan 0.000 0.434 626 A N 1.311 124.206 122.820 0.125 0.000 1.908 626 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 626 A C 2.574 180.213 177.584 0.091 0.000 1.181 626 A CA 2.194 54.305 52.037 0.124 0.000 0.627 626 A CB -1.153 17.954 19.000 0.179 0.000 0.818 626 A HN 0.457 nan 8.150 nan 0.000 0.445 627 S N -1.134 114.620 115.700 0.090 0.000 2.370 627 S HA -0.156 4.314 4.470 -0.000 0.000 0.226 627 S C 2.043 176.672 174.600 0.048 0.000 1.033 627 S CA 2.306 60.543 58.200 0.062 0.000 1.011 627 S CB -0.606 62.631 63.200 0.061 0.000 0.852 627 S HN 0.608 nan 8.310 nan 0.000 0.457 628 T N 2.358 116.943 114.554 0.051 0.000 2.812 628 T HA 0.012 4.362 4.350 -0.000 0.000 0.264 628 T C 1.681 176.399 174.700 0.030 0.000 1.042 628 T CA 1.288 63.410 62.100 0.037 0.000 1.140 628 T CB -0.447 68.444 68.868 0.039 0.000 0.870 628 T HN 0.354 nan 8.240 nan 0.000 0.445 629 L N 1.635 122.879 121.223 0.034 0.000 2.083 629 L HA -0.025 4.315 4.340 -0.000 0.000 0.209 629 L C 2.417 179.301 176.870 0.023 0.000 1.083 629 L CA 1.920 56.774 54.840 0.024 0.000 0.752 629 L CB -0.610 41.464 42.059 0.024 0.000 0.899 629 L HN 0.320 nan 8.230 nan 0.000 0.433 630 E N -0.370 119.849 120.200 0.032 0.000 2.077 630 E HA -0.243 4.107 4.350 -0.000 0.000 0.193 630 E C 2.074 178.679 176.600 0.008 0.000 0.989 630 E CA 1.220 57.636 56.400 0.026 0.000 0.800 630 E CB -0.240 29.482 29.700 0.036 0.000 0.746 630 E HN 0.587 nan 8.360 nan 0.000 0.452 631 A N 1.093 123.917 122.820 0.008 0.000 1.908 631 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 631 A C 2.266 179.846 177.584 -0.005 0.000 1.181 631 A CA 1.863 53.897 52.037 -0.004 0.000 0.627 631 A CB -0.546 18.456 19.000 0.004 0.000 0.818 631 A HN 0.351 nan 8.150 nan 0.000 0.445 632 M N -0.694 118.908 119.600 0.003 0.000 2.132 632 M HA -0.052 4.428 4.480 -0.000 0.000 0.263 632 M C 1.830 178.132 176.300 0.004 0.000 1.065 632 M CA 1.263 56.565 55.300 0.004 0.000 1.122 632 M CB -0.445 32.158 32.600 0.005 0.000 1.365 632 M HN 0.326 nan 8.290 nan 0.000 0.411 633 L N -0.654 120.571 121.223 0.004 0.000 2.551 633 L HA -0.088 4.252 4.340 -0.000 0.000 0.228 633 L C 2.157 179.028 176.870 0.001 0.000 1.153 633 L CA 0.502 55.346 54.840 0.007 0.000 0.851 633 L CB -0.467 41.598 42.059 0.010 0.000 0.959 633 L HN 0.264 nan 8.230 nan 0.000 0.451 634 R N -0.361 120.128 120.500 -0.019 0.000 2.297 634 R HA 0.047 4.387 4.340 -0.000 0.000 0.197 634 R C 0.732 177.020 176.300 -0.020 0.000 0.943 634 R CA -0.139 55.924 56.100 -0.061 0.000 1.038 634 R CB -0.018 30.217 30.300 -0.108 0.000 0.957 634 R HN 0.275 nan 8.270 nan 0.000 0.484 635 N N 1.961 120.677 118.700 0.027 0.000 2.514 635 N HA -0.072 4.668 4.740 -0.000 0.000 0.277 635 N C 0.485 176.071 175.510 0.127 0.000 1.126 635 N CA 0.120 53.212 53.050 0.070 0.000 0.978 635 N CB 1.330 39.837 38.487 0.034 0.000 1.106 635 N HN 0.042 nan 8.380 nan 0.000 0.461 636 D N 2.693 123.195 120.400 0.169 0.000 2.221 636 D HA -0.150 4.490 4.640 -0.000 0.000 0.204 636 D C 0.916 177.224 176.300 0.012 0.000 0.982 636 D CA 1.475 55.517 54.000 0.070 0.000 0.857 636 D CB -0.364 40.336 40.800 -0.166 0.000 0.934 636 D HN 0.506 nan 8.370 nan 0.000 0.475 637 T N 0.859 115.420 114.554 0.011 0.000 2.833 637 T HA -0.107 4.243 4.350 -0.000 0.000 0.269 637 T C 1.065 175.762 174.700 -0.005 0.000 1.054 637 T CA 1.280 63.376 62.100 -0.006 0.000 1.135 637 T CB -0.307 68.559 68.868 -0.004 0.000 0.869 637 T HN 0.447 nan 8.240 nan 0.000 0.466 638 N N 1.543 120.250 118.700 0.012 0.000 2.320 638 N HA 0.093 4.833 4.740 -0.000 0.000 0.237 638 N C -0.945 174.571 175.510 0.011 0.000 1.129 638 N CA -0.191 52.861 53.050 0.003 0.000 0.854 638 N CB 0.398 38.887 38.487 0.004 0.000 1.083 638 N HN 0.276 nan 8.380 nan 0.000 0.504 639 D N 1.996 122.410 120.400 0.023 0.000 2.423 639 D HA 0.062 4.702 4.640 -0.000 0.000 0.238 639 D C 0.612 176.890 176.300 -0.036 0.000 1.142 639 D CA 0.571 54.593 54.000 0.037 0.000 0.884 639 D CB 1.115 41.939 40.800 0.040 0.000 1.199 639 D HN 0.153 nan 8.370 nan 0.000 0.438 640 Q N 0.150 119.925 119.800 -0.042 0.000 2.312 640 Q HA 0.515 4.855 4.340 -0.000 0.000 0.236 640 Q C -0.339 175.486 176.000 -0.291 0.000 0.965 640 Q CA -0.461 55.232 55.803 -0.183 0.000 0.894 640 Q CB 1.232 29.929 28.738 -0.068 0.000 1.225 640 Q HN 0.512 nan 8.270 nan 0.000 0.478 641 S N 0.388 115.688 115.700 -0.667 0.000 2.533 641 S HA 0.759 5.229 4.470 -0.000 0.000 0.271 641 S C -1.373 172.722 174.600 -0.842 0.000 1.143 641 S CA -0.849 57.049 58.200 -0.504 0.000 0.891 641 S CB 0.788 63.851 63.200 -0.228 0.000 1.105 641 S HN 0.411 nan 8.310 nan 0.000 0.468 642 F N 1.418 121.407 119.950 0.066 0.000 2.613 642 F HA 0.659 5.186 4.527 -0.000 0.000 0.314 642 F C -0.146 175.782 175.800 0.213 0.000 1.075 642 F CA -0.777 57.302 58.000 0.132 0.000 0.945 642 F CB 1.911 41.002 39.000 0.151 0.000 1.310 642 F HN 0.831 nan 8.300 nan 0.000 0.467 643 N N -0.143 118.744 118.700 0.312 0.000 2.229 643 N HA 0.268 5.008 4.740 -0.000 0.000 0.298 643 N C -1.864 173.525 175.510 -0.202 0.000 1.114 643 N CA -0.611 52.452 53.050 0.021 0.000 0.776 643 N CB 2.290 40.782 38.487 0.008 0.000 1.501 643 N HN 0.632 nan 8.380 nan 0.000 0.474 644 D N 0.250 120.152 120.400 -0.831 0.000 2.424 644 D HA -0.013 4.627 4.640 -0.000 0.000 0.244 644 D C 0.903 177.050 176.300 -0.255 0.000 1.134 644 D CA -0.111 53.475 54.000 -0.690 0.000 0.881 644 D CB 0.563 40.783 40.800 -0.967 0.000 1.191 644 D HN 0.500 nan 8.370 nan 0.000 0.445 645 Y N 3.625 123.818 120.300 -0.179 0.000 2.145 645 Y HA -0.163 4.387 4.550 -0.000 0.000 0.286 645 Y C 1.745 177.551 175.900 -0.156 0.000 1.145 645 Y CA 1.438 59.459 58.100 -0.132 0.000 1.148 645 Y CB -0.256 38.150 38.460 -0.089 0.000 0.981 645 Y HN 0.531 nan 8.280 nan 0.000 0.507 646 L N 0.529 121.719 121.223 -0.053 0.000 2.083 646 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 646 L C 1.127 177.852 176.870 -0.242 0.000 1.083 646 L CA 1.753 56.516 54.840 -0.129 0.000 0.752 646 L CB -0.848 41.189 42.059 -0.037 0.000 0.899 646 L HN 0.218 nan 8.230 nan 0.000 0.433 647 S N -0.052 115.491 115.700 -0.262 0.000 3.356 647 S HA 0.011 4.481 4.470 -0.000 0.000 0.376 647 S C 0.056 174.524 174.600 -0.220 0.000 0.924 647 S CA 0.497 58.525 58.200 -0.286 0.000 1.316 647 S CB -1.626 61.337 63.200 -0.394 0.000 0.922 647 S HN 0.944 nan 8.310 nan 0.000 0.553 648 A N 0.555 123.297 122.820 -0.129 0.000 2.612 648 A HA 0.867 5.187 4.320 -0.000 0.000 0.293 648 A C -0.519 177.063 177.584 -0.004 0.000 1.075 648 A CA -0.090 51.904 52.037 -0.072 0.000 0.680 648 A CB 1.065 20.022 19.000 -0.072 0.000 1.279 648 A HN 1.502 nan 8.150 nan 0.000 0.411 649 A N 1.614 124.428 122.820 -0.010 0.000 2.274 649 A HA 0.637 4.957 4.320 -0.000 0.000 0.309 649 A C -0.391 177.275 177.584 0.136 0.000 1.226 649 A CA -0.633 51.403 52.037 -0.003 0.000 0.853 649 A CB 0.102 18.945 19.000 -0.261 0.000 1.146 649 A HN 0.670 nan 8.150 nan 0.000 0.518 650 N N 3.276 122.101 118.700 0.208 0.000 2.425 650 N HA 0.425 5.165 4.740 -0.000 0.000 0.268 650 N C -0.913 174.786 175.510 0.315 0.000 0.991 650 N CA -0.229 53.042 53.050 0.368 0.000 0.931 650 N CB 1.413 40.159 38.487 0.432 0.000 1.130 650 N HN 0.531 nan 8.380 nan 0.000 0.493 651 M N 2.497 122.336 119.600 0.399 0.000 2.456 651 M HA 0.508 4.988 4.480 -0.000 0.000 0.324 651 M C -0.545 175.836 176.300 0.135 0.000 1.124 651 M CA -0.547 54.874 55.300 0.203 0.000 0.959 651 M CB 1.789 34.616 32.600 0.379 0.000 1.692 651 M HN 0.249 nan 8.290 nan 0.000 0.444 652 L N 3.049 124.146 121.223 -0.209 0.000 2.381 652 L HA 0.534 4.874 4.340 -0.000 0.000 0.274 652 L C -1.597 175.043 176.870 -0.383 0.000 0.988 652 L CA -0.646 54.104 54.840 -0.151 0.000 0.824 652 L CB 1.664 43.622 42.059 -0.168 0.000 1.263 652 L HN 0.563 nan 8.230 nan 0.000 0.410 653 Y N 3.439 123.775 120.300 0.060 0.000 2.341 653 Y HA 0.427 4.977 4.550 -0.000 0.000 0.338 653 Y C -2.118 173.786 175.900 0.007 0.000 0.965 653 Y CA -2.666 55.456 58.100 0.036 0.000 1.108 653 Y CB 1.562 40.045 38.460 0.039 0.000 1.180 653 Y HN 0.354 nan 8.280 nan 0.000 0.458 654 P HA 0.203 nan 4.420 nan 0.000 0.271 654 P C -0.560 176.773 177.300 0.054 0.000 1.216 654 P CA 0.223 63.358 63.100 0.057 0.000 0.771 654 P CB 1.410 33.129 31.700 0.030 0.000 0.864 655 I N 4.735 125.317 120.570 0.021 0.000 2.437 655 I HA 0.257 4.427 4.170 -0.000 0.000 0.279 655 I C -2.276 173.835 176.117 -0.009 0.000 1.028 655 I CA -2.774 58.526 61.300 -0.001 0.000 1.142 655 I CB 1.639 39.621 38.000 -0.031 0.000 1.266 655 I HN 0.062 nan 8.210 nan 0.000 0.461 656 P HA -0.016 nan 4.420 nan 0.000 0.267 656 P C -0.069 177.223 177.300 -0.014 0.000 1.201 656 P CA -0.124 62.971 63.100 -0.008 0.000 0.775 656 P CB 0.576 32.274 31.700 -0.004 0.000 0.854 657 A N 2.866 125.679 122.820 -0.013 0.000 2.567 657 A HA -0.019 4.301 4.320 -0.000 0.000 0.240 657 A C 0.913 178.491 177.584 -0.010 0.000 1.053 657 A CA 0.795 52.825 52.037 -0.012 0.000 0.755 657 A CB -1.380 17.616 19.000 -0.008 0.000 0.978 657 A HN 0.829 nan 8.150 nan 0.000 0.507 658 N N -0.836 117.857 118.700 -0.012 0.000 2.900 658 N HA -0.223 4.517 4.740 -0.000 0.000 0.240 658 N C 0.372 175.873 175.510 -0.015 0.000 0.953 658 N CA 0.540 53.584 53.050 -0.010 0.000 0.950 658 N CB -1.510 36.976 38.487 -0.002 0.000 1.102 658 N HN 1.220 nan 8.380 nan 0.000 0.593 659 A N 0.084 122.894 122.820 -0.018 0.000 2.483 659 A HA 0.368 4.688 4.320 -0.000 0.000 0.238 659 A C 1.205 178.772 177.584 -0.028 0.000 1.070 659 A CA 1.018 53.045 52.037 -0.017 0.000 0.770 659 A CB 0.495 19.486 19.000 -0.014 0.000 1.008 659 A HN 0.231 nan 8.150 nan 0.000 0.497 660 T N 0.628 115.168 114.554 -0.023 0.000 2.964 660 T HA 0.122 4.472 4.350 -0.000 0.000 0.249 660 T C 0.541 175.227 174.700 -0.022 0.000 1.000 660 T CA 0.361 62.444 62.100 -0.029 0.000 0.992 660 T CB -0.123 68.732 68.868 -0.022 0.000 1.087 660 T HN 0.711 nan 8.240 nan 0.000 0.489 661 N N 1.170 119.864 118.700 -0.011 0.000 2.392 661 N HA 0.462 5.202 4.740 -0.000 0.000 0.283 661 N C -1.468 174.049 175.510 0.012 0.000 1.003 661 N CA -0.262 52.788 53.050 0.000 0.000 0.892 661 N CB 1.480 39.965 38.487 -0.003 0.000 1.193 661 N HN -0.155 nan 8.380 nan 0.000 0.487 662 V N 5.686 125.623 119.914 0.038 0.000 2.340 662 V HA 0.470 4.590 4.120 -0.000 0.000 0.277 662 V C -2.280 173.855 176.094 0.070 0.000 1.017 662 V CA -1.218 61.109 62.300 0.045 0.000 0.820 662 V CB 1.230 33.069 31.823 0.027 0.000 1.028 662 V HN 0.669 nan 8.190 nan 0.000 0.436 663 P HA 0.589 nan 4.420 nan 0.000 0.300 663 P C -0.791 176.499 177.300 -0.017 0.000 1.326 663 P CA -0.391 62.717 63.100 0.013 0.000 0.844 663 P CB 2.194 33.897 31.700 0.006 0.000 0.992 664 I N -0.779 119.763 120.570 -0.047 0.000 2.740 664 I HA 0.761 4.931 4.170 -0.000 0.000 0.303 664 I C -0.918 175.193 176.117 -0.010 0.000 1.044 664 I CA -0.962 60.266 61.300 -0.120 0.000 1.064 664 I CB 2.547 40.280 38.000 -0.444 0.000 1.249 664 I HN 0.174 nan 8.210 nan 0.000 0.433 665 S N 5.454 121.187 115.700 0.054 0.000 2.614 665 S HA 0.640 5.110 4.470 -0.000 0.000 0.288 665 S C -0.925 173.763 174.600 0.146 0.000 1.137 665 S CA -0.647 57.608 58.200 0.091 0.000 0.992 665 S CB 1.240 64.482 63.200 0.071 0.000 1.026 665 S HN 0.498 nan 8.310 nan 0.000 0.486 666 I N 6.718 127.391 120.570 0.172 0.000 2.330 666 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 666 I C -2.042 174.164 176.117 0.149 0.000 1.001 666 I CA -2.611 58.801 61.300 0.186 0.000 1.193 666 I CB 1.002 39.181 38.000 0.299 0.000 1.345 666 I HN 0.448 nan 8.210 nan 0.000 0.461 667 P HA -0.020 nan 4.420 nan 0.000 0.269 667 P C 0.187 177.527 177.300 0.066 0.000 1.209 667 P CA -0.090 63.048 63.100 0.064 0.000 0.776 667 P CB 0.665 32.381 31.700 0.028 0.000 0.876 668 S N 2.394 118.147 115.700 0.089 0.000 3.116 668 S HA -0.061 4.409 4.470 -0.000 0.000 0.367 668 S C 0.469 175.087 174.600 0.028 0.000 1.202 668 S CA 0.351 58.619 58.200 0.112 0.000 1.018 668 S CB -0.586 62.653 63.200 0.065 0.000 0.726 668 S HN 0.727 nan 8.310 nan 0.000 0.506 669 R N 2.732 123.254 120.500 0.037 0.000 2.844 669 R HA 0.532 4.872 4.340 -0.000 0.000 0.264 669 R C -1.168 175.006 176.300 -0.210 0.000 1.077 669 R CA -1.006 54.966 56.100 -0.214 0.000 0.953 669 R CB 0.258 30.223 30.300 -0.558 0.000 1.272 669 R HN 0.616 nan 8.270 nan 0.000 0.447 670 N N -0.672 117.821 118.700 -0.344 0.000 2.499 670 N HA 0.217 4.957 4.740 -0.000 0.000 0.281 670 N C -0.983 174.279 175.510 -0.413 0.000 1.098 670 N CA -0.650 52.289 53.050 -0.186 0.000 0.979 670 N CB 0.738 39.158 38.487 -0.112 0.000 1.121 670 N HN 0.667 nan 8.380 nan 0.000 0.466 671 W N 1.388 122.712 121.300 0.040 0.000 2.862 671 W HA 0.503 5.163 4.660 -0.000 0.000 0.376 671 W C 0.377 176.955 176.519 0.098 0.000 1.028 671 W CA -0.643 56.710 57.345 0.013 0.000 1.757 671 W CB -0.055 29.407 29.460 0.004 0.000 1.128 671 W HN 0.689 nan 8.180 nan 0.000 0.566 672 A N 1.067 124.045 122.820 0.264 0.000 2.565 672 A HA 0.367 4.687 4.320 -0.000 0.000 0.237 672 A C 1.569 179.275 177.584 0.203 0.000 1.053 672 A CA 1.264 53.432 52.037 0.218 0.000 0.755 672 A CB -0.084 19.003 19.000 0.146 0.000 0.980 672 A HN 1.181 nan 8.150 nan 0.000 0.506 673 A N 1.209 124.149 122.820 0.200 0.000 3.396 673 A HA -0.196 4.124 4.320 -0.000 0.000 0.267 673 A C 0.389 178.174 177.584 0.334 0.000 1.139 673 A CA 0.941 53.123 52.037 0.241 0.000 1.115 673 A CB -2.596 16.516 19.000 0.187 0.000 1.133 673 A HN 2.039 nan 8.150 nan 0.000 0.920 674 F N 1.426 121.444 119.950 0.113 0.000 2.608 674 F HA 0.381 4.908 4.527 -0.000 0.000 0.380 674 F C 1.306 177.095 175.800 -0.019 0.000 1.083 674 F CA 0.600 58.602 58.000 0.004 0.000 1.266 674 F CB 0.370 39.281 39.000 -0.148 0.000 1.076 674 F HN 0.256 nan 8.300 nan 0.000 0.574 675 R N 3.153 123.242 120.500 -0.685 0.000 2.189 675 R HA 0.413 4.753 4.340 -0.000 0.000 0.203 675 R C 0.775 176.580 176.300 -0.826 0.000 1.012 675 R CA 0.314 56.062 56.100 -0.588 0.000 1.015 675 R CB 0.053 30.066 30.300 -0.478 0.000 0.938 675 R HN 0.915 nan 8.270 nan 0.000 0.472 676 G N -0.698 107.084 108.800 -1.698 0.000 2.340 676 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.282 676 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.282 676 G C -1.838 172.542 174.900 -0.868 0.000 1.312 676 G CA -0.976 43.395 45.100 -1.214 0.000 0.942 676 G HN 0.025 nan 8.290 nan 0.000 0.495 677 W N -0.046 121.162 121.300 -0.154 0.000 2.781 677 W HA 0.756 5.416 4.660 -0.000 0.000 0.345 677 W C 0.120 176.601 176.519 -0.064 0.000 1.085 677 W CA -0.268 57.033 57.345 -0.073 0.000 1.198 677 W CB 2.435 31.905 29.460 0.018 0.000 1.423 677 W HN 1.285 nan 8.180 nan 0.000 0.532 678 A N 2.737 125.646 122.820 0.148 0.000 2.486 678 A HA 0.939 5.259 4.320 -0.000 0.000 0.300 678 A C -1.655 175.917 177.584 -0.019 0.000 1.048 678 A CA -0.551 51.457 52.037 -0.047 0.000 0.696 678 A CB 1.673 20.551 19.000 -0.203 0.000 1.278 678 A HN 0.672 nan 8.150 nan 0.000 0.405 679 F N -0.909 118.904 119.950 -0.228 0.000 2.719 679 F HA 0.877 5.404 4.527 -0.000 0.000 0.309 679 F C -0.305 175.279 175.800 -0.359 0.000 1.138 679 F CA -0.383 57.429 58.000 -0.312 0.000 0.943 679 F CB 1.135 40.023 39.000 -0.186 0.000 1.304 679 F HN 0.712 nan 8.300 nan 0.000 0.445 680 T N -0.430 114.081 114.554 -0.072 0.000 2.626 680 T HA 0.607 4.957 4.350 -0.000 0.000 0.299 680 T C -1.713 173.276 174.700 0.481 0.000 1.181 680 T CA -1.191 60.929 62.100 0.033 0.000 1.053 680 T CB 1.996 70.648 68.868 -0.358 0.000 1.566 680 T HN 0.949 nan 8.240 nan 0.000 0.486 681 R N 0.117 120.849 120.500 0.386 0.000 2.575 681 R HA 0.742 5.082 4.340 -0.000 0.000 0.293 681 R C -1.767 174.615 176.300 0.138 0.000 0.983 681 R CA -0.683 55.555 56.100 0.230 0.000 0.887 681 R CB 1.009 31.314 30.300 0.009 0.000 1.184 681 R HN 0.613 nan 8.270 nan 0.000 0.445 682 L N 2.678 123.982 121.223 0.134 0.000 2.323 682 L HA 0.579 4.919 4.340 -0.000 0.000 0.265 682 L C -0.337 176.554 176.870 0.035 0.000 1.012 682 L CA -1.171 53.736 54.840 0.111 0.000 0.820 682 L CB 2.210 44.380 42.059 0.184 0.000 1.334 682 L HN 0.462 nan 8.230 nan 0.000 0.427 683 K N 0.028 120.445 120.400 0.028 0.000 2.201 683 K HA 0.269 4.589 4.320 -0.000 0.000 0.278 683 K C 0.535 177.128 176.600 -0.013 0.000 1.027 683 K CA -0.396 55.893 56.287 0.004 0.000 0.909 683 K CB 1.758 34.268 32.500 0.017 0.000 1.062 683 K HN 0.559 nan 8.250 nan 0.000 0.465 684 T N 2.347 116.890 114.554 -0.019 0.000 2.720 684 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 684 T C 1.337 176.026 174.700 -0.019 0.000 1.037 684 T CA 1.414 63.502 62.100 -0.020 0.000 1.144 684 T CB 0.001 68.857 68.868 -0.021 0.000 0.864 684 T HN 0.520 nan 8.240 nan 0.000 0.444 685 K N 0.919 121.286 120.400 -0.055 0.000 2.211 685 K HA -0.089 4.231 4.320 -0.000 0.000 0.204 685 K C 1.801 178.263 176.600 -0.230 0.000 1.047 685 K CA 1.104 57.331 56.287 -0.101 0.000 0.935 685 K CB -0.043 32.378 32.500 -0.133 0.000 0.728 685 K HN 0.518 nan 8.250 nan 0.000 0.452 686 E N 0.135 120.168 120.200 -0.278 0.000 2.444 686 E HA 0.030 4.380 4.350 -0.000 0.000 0.191 686 E C -0.522 176.133 176.600 0.092 0.000 1.041 686 E CA 0.145 56.316 56.400 -0.380 0.000 0.883 686 E CB 0.797 30.279 29.700 -0.362 0.000 1.024 686 E HN -0.007 nan 8.360 nan 0.000 0.470 687 T N 3.838 118.455 114.554 0.104 0.000 2.912 687 T HA 0.216 4.566 4.350 -0.000 0.000 0.326 687 T C -2.418 172.236 174.700 -0.077 0.000 1.080 687 T CA -1.495 60.616 62.100 0.020 0.000 1.000 687 T CB 1.348 70.168 68.868 -0.079 0.000 1.008 687 T HN 0.006 nan 8.240 nan 0.000 0.473 688 P HA 0.118 nan 4.420 nan 0.000 0.269 688 P C -0.096 176.986 177.300 -0.364 0.000 1.215 688 P CA -0.284 62.415 63.100 -0.668 0.000 0.780 688 P CB 0.761 31.732 31.700 -1.215 0.000 0.898 689 S N 2.444 117.979 115.700 -0.274 0.000 2.455 689 S HA 0.285 4.755 4.470 -0.000 0.000 0.278 689 S C 0.102 174.595 174.600 -0.178 0.000 1.216 689 S CA -0.612 57.477 58.200 -0.185 0.000 1.055 689 S CB -0.911 62.228 63.200 -0.101 0.000 0.939 689 S HN 0.261 nan 8.310 nan 0.000 0.494 690 L N 4.317 125.446 121.223 -0.156 0.000 2.365 690 L HA 0.700 5.040 4.340 -0.000 0.000 0.267 690 L C 1.620 178.470 176.870 -0.033 0.000 1.033 690 L CA -0.128 54.666 54.840 -0.077 0.000 0.802 690 L CB 1.020 43.053 42.059 -0.043 0.000 1.267 690 L HN 0.925 nan 8.230 nan 0.000 0.457 691 G N 0.272 109.084 108.800 0.020 0.000 2.611 691 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.208 691 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.208 691 G C 0.212 175.118 174.900 0.011 0.000 1.201 691 G CA 0.091 45.200 45.100 0.016 0.000 0.739 691 G HN 0.760 nan 8.290 nan 0.000 0.528 692 S N 1.414 117.110 115.700 -0.006 0.000 2.565 692 S HA 0.556 5.026 4.470 -0.000 0.000 0.274 692 S C 1.522 176.126 174.600 0.006 0.000 1.309 692 S CA 0.749 58.940 58.200 -0.015 0.000 1.043 692 S CB 1.595 64.772 63.200 -0.039 0.000 0.939 692 S HN 1.647 nan 8.310 nan 0.000 0.504 693 G N 0.407 109.206 108.800 -0.002 0.000 2.535 693 G HA2 0.026 3.986 3.960 -0.000 0.000 0.218 693 G HA3 0.026 3.986 3.960 -0.000 0.000 0.218 693 G C -0.153 174.647 174.900 -0.167 0.000 1.122 693 G CA 0.503 45.635 45.100 0.052 0.000 0.769 693 G HN 0.835 nan 8.290 nan 0.000 0.549 694 Y N -0.403 119.630 120.300 -0.444 0.000 2.390 694 Y HA 0.386 4.936 4.550 -0.000 0.000 0.324 694 Y C -2.001 173.745 175.900 -0.256 0.000 1.151 694 Y CA -1.442 56.389 58.100 -0.449 0.000 1.053 694 Y CB 1.945 39.910 38.460 -0.826 0.000 1.277 694 Y HN -0.050 nan 8.280 nan 0.000 0.432 695 D N 8.364 128.388 120.400 -0.626 0.000 2.443 695 D HA 0.306 4.946 4.640 -0.000 0.000 0.221 695 D C -1.765 174.190 176.300 -0.574 0.000 1.097 695 D CA -2.510 51.225 54.000 -0.442 0.000 0.865 695 D CB 1.760 42.379 40.800 -0.301 0.000 1.034 695 D HN 0.362 nan 8.370 nan 0.000 0.511 696 P HA -0.152 nan 4.420 nan 0.000 0.220 696 P C 0.558 177.632 177.300 -0.377 0.000 1.148 696 P CA 1.000 63.847 63.100 -0.422 0.000 0.803 696 P CB 0.003 31.386 31.700 -0.529 0.000 0.782 697 Y N -2.490 117.805 120.300 -0.008 0.000 2.493 697 Y HA 0.186 4.736 4.550 -0.000 0.000 0.275 697 Y C 0.916 176.859 175.900 0.072 0.000 1.183 697 Y CA -0.801 57.313 58.100 0.023 0.000 1.258 697 Y CB -0.627 37.844 38.460 0.017 0.000 1.108 697 Y HN -0.096 nan 8.280 nan 0.000 0.521 698 Y N 2.390 122.676 120.300 -0.023 0.000 2.595 698 Y HA 0.164 4.714 4.550 -0.000 0.000 0.347 698 Y C 0.504 176.417 175.900 0.021 0.000 1.025 698 Y CA -0.706 57.390 58.100 -0.007 0.000 1.295 698 Y CB 0.467 38.878 38.460 -0.083 0.000 1.147 698 Y HN 0.086 nan 8.280 nan 0.000 0.515 699 T N 2.732 117.192 114.554 -0.156 0.000 3.327 699 T HA 0.232 4.582 4.350 -0.000 0.000 0.244 699 T C -1.110 173.493 174.700 -0.161 0.000 1.074 699 T CA -0.447 61.572 62.100 -0.135 0.000 1.156 699 T CB -0.594 68.255 68.868 -0.031 0.000 1.087 699 T HN 0.528 nan 8.240 nan 0.000 0.575 700 Y N 0.977 120.914 120.300 -0.604 0.000 2.513 700 Y HA 0.553 5.103 4.550 -0.000 0.000 0.340 700 Y C -0.093 175.550 175.900 -0.428 0.000 1.055 700 Y CA -0.896 56.925 58.100 -0.466 0.000 1.020 700 Y CB 2.117 40.309 38.460 -0.447 0.000 1.301 700 Y HN 0.209 nan 8.280 nan 0.000 0.453 701 S N 1.905 117.071 115.700 -0.890 0.000 2.952 701 S HA 0.468 4.938 4.470 -0.000 0.000 0.251 701 S C 0.387 174.601 174.600 -0.644 0.000 1.021 701 S CA -0.013 57.837 58.200 -0.584 0.000 1.067 701 S CB -0.003 63.031 63.200 -0.276 0.000 1.002 701 S HN 0.988 nan 8.310 nan 0.000 0.574 702 G N 2.122 110.119 108.800 -1.338 0.000 2.531 702 G HA2 0.495 4.455 3.960 -0.000 0.000 0.253 702 G HA3 0.495 4.455 3.960 -0.000 0.000 0.253 702 G C 0.099 174.976 174.900 -0.038 0.000 1.439 702 G CA -0.127 44.676 45.100 -0.496 0.000 1.056 702 G HN 0.726 nan 8.290 nan 0.000 0.555 703 S N -1.280 114.545 115.700 0.208 0.000 2.576 703 S HA 0.378 4.848 4.470 -0.000 0.000 0.276 703 S C -0.059 174.740 174.600 0.333 0.000 1.339 703 S CA -0.389 57.936 58.200 0.207 0.000 1.039 703 S CB 0.752 64.039 63.200 0.145 0.000 0.902 703 S HN 0.380 nan 8.310 nan 0.000 0.516 704 I N 3.269 123.973 120.570 0.223 0.000 2.503 704 I HA 0.276 4.446 4.170 -0.000 0.000 0.277 704 I C -1.973 174.202 176.117 0.097 0.000 1.078 704 I CA -2.319 59.128 61.300 0.245 0.000 1.184 704 I CB 1.375 39.523 38.000 0.247 0.000 1.353 704 I HN 0.455 nan 8.210 nan 0.000 0.490 705 P HA -0.286 nan 4.420 nan 0.000 0.218 705 P C 1.571 178.713 177.300 -0.263 0.000 1.154 705 P CA 1.679 64.652 63.100 -0.211 0.000 0.872 705 P CB 0.027 31.749 31.700 0.036 0.000 0.790 706 Y N -0.206 120.086 120.300 -0.014 0.000 2.207 706 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 706 Y C 1.842 177.753 175.900 0.018 0.000 1.156 706 Y CA 1.569 59.695 58.100 0.043 0.000 1.182 706 Y CB -0.566 37.846 38.460 -0.080 0.000 0.979 706 Y HN -0.126 nan 8.280 nan 0.000 0.521 707 L N -0.851 120.365 121.223 -0.011 0.000 2.388 707 L HA 0.058 4.398 4.340 -0.000 0.000 0.209 707 L C 1.537 178.349 176.870 -0.098 0.000 1.061 707 L CA 0.873 55.683 54.840 -0.049 0.000 0.834 707 L CB -0.254 41.860 42.059 0.092 0.000 1.029 707 L HN 0.174 nan 8.230 nan 0.000 0.473 708 D N -0.830 119.489 120.400 -0.136 0.000 2.360 708 D HA 0.099 4.739 4.640 -0.000 0.000 0.210 708 D C 1.441 177.554 176.300 -0.312 0.000 1.047 708 D CA 0.686 54.587 54.000 -0.165 0.000 0.854 708 D CB 0.407 41.143 40.800 -0.106 0.000 0.936 708 D HN 0.181 nan 8.370 nan 0.000 0.514 709 G N 0.464 108.924 108.800 -0.567 0.000 2.143 709 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.249 709 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.249 709 G C 0.673 175.157 174.900 -0.693 0.000 0.981 709 G CA 0.527 45.140 45.100 -0.812 0.000 0.665 709 G HN 0.684 nan 8.290 nan 0.000 0.528 710 T N -0.458 113.692 114.554 -0.673 0.000 3.820 710 T HA 0.555 4.905 4.350 -0.000 0.000 0.224 710 T C 0.617 175.264 174.700 -0.088 0.000 0.869 710 T CA -0.546 61.141 62.100 -0.689 0.000 0.932 710 T CB -0.736 67.489 68.868 -1.072 0.000 1.259 710 T HN 0.300 nan 8.240 nan 0.000 0.676 711 F N 2.485 122.562 119.950 0.211 0.000 2.518 711 F HA 0.304 4.831 4.527 -0.000 0.000 0.359 711 F C 1.064 177.146 175.800 0.471 0.000 1.118 711 F CA -0.678 57.481 58.000 0.265 0.000 1.287 711 F CB 0.440 39.508 39.000 0.113 0.000 1.132 711 F HN 0.520 nan 8.300 nan 0.000 0.587 712 Y N -0.307 120.279 120.300 0.475 0.000 2.957 712 Y HA 0.436 4.986 4.550 -0.000 0.000 0.274 712 Y C -0.411 175.719 175.900 0.384 0.000 1.065 712 Y CA -0.476 57.870 58.100 0.409 0.000 1.273 712 Y CB -0.865 37.829 38.460 0.390 0.000 1.358 712 Y HN 0.417 nan 8.280 nan 0.000 0.585 713 L N 0.924 122.129 121.223 -0.030 0.000 3.014 713 L HA 0.317 4.657 4.340 -0.000 0.000 0.263 713 L C 0.977 177.834 176.870 -0.023 0.000 1.207 713 L CA -0.078 54.677 54.840 -0.142 0.000 1.017 713 L CB 0.111 41.994 42.059 -0.294 0.000 1.360 713 L HN 0.212 nan 8.230 nan 0.000 0.560 714 N N 0.607 119.420 118.700 0.187 0.000 2.364 714 N HA -0.176 4.564 4.740 -0.000 0.000 0.183 714 N C 1.675 177.599 175.510 0.690 0.000 1.022 714 N CA 1.132 54.386 53.050 0.339 0.000 0.883 714 N CB -0.122 38.191 38.487 -0.289 0.000 0.965 714 N HN 0.589 nan 8.380 nan 0.000 0.438 715 H N -0.213 119.040 119.070 0.305 0.000 2.559 715 H HA 0.074 4.630 4.556 -0.000 0.000 0.273 715 H C 1.033 176.391 175.328 0.051 0.000 1.000 715 H CA 1.234 57.276 56.048 -0.011 0.000 1.195 715 H CB -0.626 28.906 29.762 -0.383 0.000 1.368 715 H HN 0.134 nan 8.280 nan 0.000 0.592 716 T N -2.433 111.958 114.554 -0.271 0.000 3.144 716 T HA 0.158 4.508 4.350 -0.000 0.000 0.249 716 T C 0.120 174.712 174.700 -0.179 0.000 1.089 716 T CA -0.553 61.390 62.100 -0.261 0.000 0.989 716 T CB -0.736 67.885 68.868 -0.411 0.000 0.992 716 T HN 0.013 nan 8.240 nan 0.000 0.540 717 F N 1.418 121.423 119.950 0.092 0.000 2.394 717 F HA 0.596 5.123 4.527 -0.000 0.000 0.340 717 F C 1.371 177.148 175.800 -0.038 0.000 1.105 717 F CA -1.137 56.909 58.000 0.078 0.000 1.124 717 F CB 1.815 40.925 39.000 0.185 0.000 1.145 717 F HN -0.103 nan 8.300 nan 0.000 0.505 718 K N 2.235 122.684 120.400 0.082 0.000 2.161 718 K HA 0.186 4.506 4.320 -0.000 0.000 0.205 718 K C -0.510 176.032 176.600 -0.097 0.000 1.035 718 K CA 0.723 57.002 56.287 -0.013 0.000 0.970 718 K CB 0.369 32.856 32.500 -0.021 0.000 0.866 718 K HN 0.647 nan 8.250 nan 0.000 0.461 719 K N -1.306 119.039 120.400 -0.091 0.000 2.579 719 K HA 0.478 4.798 4.320 -0.000 0.000 0.284 719 K C -1.572 174.898 176.600 -0.218 0.000 0.990 719 K CA -1.118 55.065 56.287 -0.174 0.000 0.880 719 K CB 2.137 34.557 32.500 -0.134 0.000 1.488 719 K HN -0.169 nan 8.250 nan 0.000 0.425 720 V N 0.103 119.841 119.914 -0.292 0.000 2.686 720 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 720 V C -1.026 174.881 176.094 -0.313 0.000 1.065 720 V CA -0.740 61.243 62.300 -0.529 0.000 0.894 720 V CB 1.521 32.863 31.823 -0.802 0.000 1.004 720 V HN 0.967 nan 8.190 nan 0.000 0.424 721 A N 5.725 128.323 122.820 -0.370 0.000 2.318 721 A HA 0.923 5.243 4.320 -0.000 0.000 0.317 721 A C -0.830 176.597 177.584 -0.262 0.000 1.159 721 A CA -0.482 51.438 52.037 -0.195 0.000 0.799 721 A CB 0.762 19.673 19.000 -0.148 0.000 1.194 721 A HN 0.784 nan 8.150 nan 0.000 0.479 722 I N 2.039 122.530 120.570 -0.131 0.000 2.433 722 I HA 0.471 4.641 4.170 -0.000 0.000 0.292 722 I C -0.462 175.627 176.117 -0.046 0.000 1.001 722 I CA -0.211 60.973 61.300 -0.194 0.000 1.119 722 I CB 2.418 40.295 38.000 -0.205 0.000 1.289 722 I HN 0.582 nan 8.210 nan 0.000 0.438 723 T N 5.601 120.061 114.554 -0.156 0.000 2.928 723 T HA 0.497 4.847 4.350 -0.000 0.000 0.296 723 T C -0.663 173.949 174.700 -0.148 0.000 1.000 723 T CA -0.480 61.591 62.100 -0.048 0.000 0.989 723 T CB 0.963 69.821 68.868 -0.016 0.000 1.005 723 T HN 0.087 nan 8.240 nan 0.000 0.442 724 F N 1.857 121.858 119.950 0.085 0.000 2.399 724 F HA 0.347 4.874 4.527 -0.000 0.000 0.334 724 F C 1.255 177.115 175.800 0.100 0.000 1.097 724 F CA -0.338 57.697 58.000 0.057 0.000 1.076 724 F CB 0.860 39.877 39.000 0.029 0.000 1.162 724 F HN 0.563 nan 8.300 nan 0.000 0.495 725 D N 2.008 122.592 120.400 0.308 0.000 2.702 725 D HA -0.241 4.399 4.640 -0.000 0.000 0.233 725 D C 0.720 177.096 176.300 0.126 0.000 1.164 725 D CA 1.238 55.357 54.000 0.198 0.000 0.638 725 D CB -0.921 39.999 40.800 0.200 0.000 1.041 725 D HN 0.805 nan 8.370 nan 0.000 0.422 726 S N -2.657 113.101 115.700 0.097 0.000 3.491 726 S HA -0.292 4.178 4.470 -0.000 0.000 0.371 726 S C 0.934 175.572 174.600 0.064 0.000 0.980 726 S CA 1.892 60.130 58.200 0.063 0.000 1.204 726 S CB -1.889 61.339 63.200 0.047 0.000 0.915 726 S HN 1.232 nan 8.310 nan 0.000 0.482 727 S N -2.512 113.239 115.700 0.085 0.000 1.773 727 S HA 0.143 4.613 4.470 -0.000 0.000 0.203 727 S C 0.118 174.775 174.600 0.096 0.000 0.762 727 S CA 0.215 58.460 58.200 0.075 0.000 1.503 727 S CB -0.582 62.658 63.200 0.066 0.000 0.926 727 S HN 1.989 nan 8.310 nan 0.000 0.380 728 V N 2.512 122.513 119.914 0.145 0.000 2.368 728 V HA 0.792 4.912 4.120 -0.000 0.000 0.266 728 V C 0.052 176.287 176.094 0.236 0.000 1.045 728 V CA -0.045 62.362 62.300 0.178 0.000 0.899 728 V CB 0.774 32.721 31.823 0.208 0.000 1.006 728 V HN 0.477 nan 8.190 nan 0.000 0.470 729 S N 5.894 121.702 115.700 0.180 0.000 2.548 729 S HA 0.494 4.964 4.470 -0.000 0.000 0.277 729 S C -0.822 173.964 174.600 0.309 0.000 1.315 729 S CA -0.502 57.816 58.200 0.196 0.000 1.050 729 S CB 0.401 63.656 63.200 0.091 0.000 0.918 729 S HN 0.959 nan 8.310 nan 0.000 0.497 730 W N 6.493 127.937 121.300 0.239 0.000 2.702 730 W HA 0.516 5.176 4.660 -0.000 0.000 0.331 730 W C -1.978 174.771 176.519 0.383 0.000 1.049 730 W CA -2.158 55.403 57.345 0.359 0.000 1.230 730 W CB 1.669 31.501 29.460 0.619 0.000 1.408 730 W HN 0.510 nan 8.180 nan 0.000 0.492 731 P HA 0.094 nan 4.420 nan 0.000 0.241 731 P C 0.916 177.951 177.300 -0.442 0.000 1.191 731 P CA 1.437 63.773 63.100 -1.274 0.000 0.771 731 P CB 0.324 31.281 31.700 -1.239 0.000 0.929 732 G N 1.886 110.566 108.800 -0.200 0.000 2.581 732 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.291 732 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.291 732 G C 0.379 175.202 174.900 -0.128 0.000 1.277 732 G CA 0.342 45.381 45.100 -0.102 0.000 0.959 732 G HN 0.324 nan 8.290 nan 0.000 0.554 733 N N 0.126 118.778 118.700 -0.081 0.000 2.681 733 N HA -0.211 4.529 4.740 -0.000 0.000 0.250 733 N C 0.636 176.103 175.510 -0.072 0.000 1.133 733 N CA 2.510 55.514 53.050 -0.076 0.000 0.732 733 N CB -0.870 37.559 38.487 -0.096 0.000 1.107 733 N HN 1.571 nan 8.380 nan 0.000 0.559 734 D N -1.397 118.961 120.400 -0.070 0.000 2.751 734 D HA -0.223 4.417 4.640 -0.000 0.000 0.233 734 D C 1.159 177.425 176.300 -0.056 0.000 1.149 734 D CA 1.163 55.128 54.000 -0.058 0.000 0.682 734 D CB -0.177 40.600 40.800 -0.037 0.000 1.068 734 D HN 0.396 nan 8.370 nan 0.000 0.429 735 R N -0.632 119.820 120.500 -0.080 0.000 2.062 735 R HA 0.120 4.460 4.340 -0.000 0.000 0.226 735 R C 0.984 177.272 176.300 -0.020 0.000 1.125 735 R CA 0.736 56.806 56.100 -0.050 0.000 0.966 735 R CB -0.065 30.190 30.300 -0.075 0.000 0.861 735 R HN 0.322 nan 8.270 nan 0.000 0.433 736 L N 0.988 122.163 121.223 -0.081 0.000 2.344 736 L HA 0.236 4.576 4.340 -0.000 0.000 0.272 736 L C 1.525 178.367 176.870 -0.046 0.000 1.035 736 L CA -0.602 54.192 54.840 -0.076 0.000 0.807 736 L CB 0.765 42.683 42.059 -0.235 0.000 1.237 736 L HN -0.120 nan 8.230 nan 0.000 0.442 737 L N 0.571 121.820 121.223 0.044 0.000 2.211 737 L HA -0.187 4.153 4.340 -0.000 0.000 0.216 737 L C 1.378 178.231 176.870 -0.027 0.000 1.092 737 L CA 1.765 56.670 54.840 0.108 0.000 0.767 737 L CB -0.915 41.388 42.059 0.407 0.000 0.894 737 L HN 0.902 nan 8.230 nan 0.000 0.437 738 T N -5.881 108.603 114.554 -0.117 0.000 3.532 738 T HA 0.348 4.698 4.350 -0.000 0.000 0.241 738 T C -1.881 172.706 174.700 -0.188 0.000 1.238 738 T CA -1.449 60.556 62.100 -0.157 0.000 1.405 738 T CB 0.443 69.193 68.868 -0.197 0.000 0.971 738 T HN -0.118 nan 8.240 nan 0.000 0.640 739 P HA -0.124 nan 4.420 nan 0.000 0.221 739 P C 0.742 177.951 177.300 -0.152 0.000 1.140 739 P CA 0.906 63.898 63.100 -0.179 0.000 0.797 739 P CB -0.128 31.505 31.700 -0.111 0.000 0.756 740 N N 0.724 119.349 118.700 -0.125 0.000 2.484 740 N HA 0.013 4.753 4.740 -0.000 0.000 0.245 740 N C 0.113 175.566 175.510 -0.095 0.000 1.184 740 N CA 0.403 53.401 53.050 -0.088 0.000 0.884 740 N CB -0.617 37.827 38.487 -0.071 0.000 1.182 740 N HN 0.410 nan 8.380 nan 0.000 0.493 741 E N -1.180 118.944 120.200 -0.127 0.000 6.040 741 E HA -0.141 4.209 4.350 -0.000 0.000 0.553 741 E C -1.751 174.761 176.600 -0.147 0.000 1.322 741 E CA -0.543 55.818 56.400 -0.065 0.000 3.048 741 E CB -0.964 28.696 29.700 -0.066 0.000 0.781 741 E HN -0.135 nan 8.360 nan 0.000 0.262 742 F N 1.414 121.287 119.950 -0.128 0.000 2.404 742 F HA 0.371 4.898 4.527 -0.000 0.000 0.345 742 F C 0.880 176.562 175.800 -0.197 0.000 1.110 742 F CA -0.182 57.756 58.000 -0.103 0.000 1.130 742 F CB 1.177 40.163 39.000 -0.023 0.000 1.129 742 F HN 0.229 nan 8.300 nan 0.000 0.500 743 E N 4.362 124.537 120.200 -0.042 0.000 2.113 743 E HA 0.282 4.632 4.350 -0.000 0.000 0.273 743 E C 0.588 177.057 176.600 -0.217 0.000 0.924 743 E CA -0.174 56.143 56.400 -0.138 0.000 0.764 743 E CB 1.698 31.320 29.700 -0.129 0.000 1.104 743 E HN 0.657 nan 8.360 nan 0.000 0.406 744 I N 2.591 122.889 120.570 -0.454 0.000 2.400 744 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 744 I C 0.824 176.778 176.117 -0.271 0.000 1.109 744 I CA 1.104 61.917 61.300 -0.813 0.000 1.425 744 I CB 0.096 37.422 38.000 -1.125 0.000 1.094 744 I HN 0.391 nan 8.210 nan 0.000 0.425 745 K N 0.452 120.799 120.400 -0.088 0.000 2.532 745 K HA 0.662 4.982 4.320 -0.000 0.000 0.265 745 K C -0.981 175.646 176.600 0.045 0.000 0.948 745 K CA -0.904 55.429 56.287 0.077 0.000 0.842 745 K CB 2.105 34.741 32.500 0.226 0.000 1.392 745 K HN -0.156 nan 8.250 nan 0.000 0.436 746 R N 0.504 121.050 120.500 0.076 0.000 2.740 746 R HA 0.368 4.708 4.340 -0.000 0.000 0.282 746 R C -0.986 175.356 176.300 0.070 0.000 0.969 746 R CA -1.100 55.029 56.100 0.047 0.000 0.918 746 R CB 2.311 32.633 30.300 0.036 0.000 1.175 746 R HN 0.884 nan 8.270 nan 0.000 0.464 747 S N 0.837 116.566 115.700 0.049 0.000 2.423 747 S HA 0.193 4.663 4.470 -0.000 0.000 0.317 747 S C 1.198 175.827 174.600 0.048 0.000 1.065 747 S CA -0.703 57.530 58.200 0.055 0.000 1.111 747 S CB 1.067 64.292 63.200 0.041 0.000 0.968 747 S HN 0.535 nan 8.310 nan 0.000 0.474 748 V N 1.978 121.928 119.914 0.059 0.000 0.575 748 V HA -0.458 3.662 4.120 -0.000 0.000 0.092 748 V C 2.090 178.211 176.094 0.046 0.000 1.949 748 V CA 2.552 64.883 62.300 0.051 0.000 3.444 748 V CB -1.921 29.925 31.823 0.039 0.000 0.743 748 V HN 0.843 nan 8.190 nan 0.000 0.767 749 D N 0.912 121.334 120.400 0.036 0.000 2.203 749 D HA -0.078 4.562 4.640 -0.000 0.000 0.199 749 D C 1.593 177.918 176.300 0.042 0.000 0.997 749 D CA 1.959 55.978 54.000 0.030 0.000 0.863 749 D CB -0.335 40.475 40.800 0.017 0.000 0.928 749 D HN 0.776 nan 8.370 nan 0.000 0.458 750 G N -0.008 108.823 108.800 0.052 0.000 4.547 750 G HA2 0.050 4.010 3.960 -0.000 0.000 0.301 750 G HA3 0.050 4.010 3.960 -0.000 0.000 0.301 750 G C 0.913 175.891 174.900 0.130 0.000 1.240 750 G CA -0.366 44.784 45.100 0.083 0.000 0.970 750 G HN -0.048 nan 8.290 nan 0.000 0.574 751 E N 0.732 120.994 120.200 0.103 0.000 2.160 751 E HA -0.121 4.229 4.350 -0.000 0.000 0.195 751 E C 2.538 179.202 176.600 0.105 0.000 0.991 751 E CA 1.183 57.643 56.400 0.099 0.000 0.810 751 E CB -0.000 29.742 29.700 0.070 0.000 0.742 751 E HN 0.452 nan 8.360 nan 0.000 0.466 752 G N -0.083 108.780 108.800 0.104 0.000 2.442 752 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.219 752 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.219 752 G C 1.387 176.315 174.900 0.046 0.000 1.141 752 G CA 0.594 45.728 45.100 0.057 0.000 0.763 752 G HN 0.268 nan 8.290 nan 0.000 0.554 753 Y N 1.282 121.600 120.300 0.031 0.000 2.224 753 Y HA -0.018 4.532 4.550 -0.000 0.000 0.289 753 Y C 1.220 177.145 175.900 0.041 0.000 1.146 753 Y CA 0.706 58.827 58.100 0.036 0.000 1.182 753 Y CB -0.150 38.329 38.460 0.032 0.000 0.983 753 Y HN 0.082 nan 8.280 nan 0.000 0.524 754 N N 0.384 119.201 118.700 0.195 0.000 2.454 754 N HA 0.164 4.904 4.740 -0.000 0.000 0.254 754 N C -0.181 175.368 175.510 0.066 0.000 1.228 754 N CA 0.341 53.471 53.050 0.133 0.000 0.900 754 N CB 0.868 39.432 38.487 0.129 0.000 1.089 754 N HN 0.045 nan 8.380 nan 0.000 0.449 755 V N -2.212 117.715 119.914 0.021 0.000 3.182 755 V HA 0.843 4.963 4.120 -0.000 0.000 0.311 755 V C 0.938 176.964 176.094 -0.113 0.000 1.221 755 V CA -0.702 61.551 62.300 -0.078 0.000 1.060 755 V CB 0.671 32.374 31.823 -0.200 0.000 1.164 755 V HN 0.729 nan 8.190 nan 0.000 0.466 756 A N -0.696 121.999 122.820 -0.208 0.000 2.799 756 A HA -0.293 4.027 4.320 -0.000 0.000 0.274 756 A C 0.997 178.566 177.584 -0.025 0.000 1.393 756 A CA 1.817 53.761 52.037 -0.156 0.000 0.909 756 A CB -2.464 16.419 19.000 -0.194 0.000 1.012 756 A HN 1.647 nan 8.150 nan 0.000 0.653 757 Q N -4.234 115.563 119.800 -0.005 0.000 2.487 757 Q HA -0.259 4.081 4.340 -0.000 0.000 0.279 757 Q C 0.300 176.338 176.000 0.063 0.000 1.228 757 Q CA 1.112 56.931 55.803 0.027 0.000 0.873 757 Q CB -2.722 26.025 28.738 0.014 0.000 1.260 757 Q HN 2.148 nan 8.270 nan 0.000 0.471 758 C N -2.726 116.635 119.300 0.101 0.000 3.292 758 C HA 0.564 5.024 4.460 -0.000 0.000 0.369 758 C C 1.256 176.367 174.990 0.202 0.000 1.664 758 C CA -0.264 58.857 59.018 0.171 0.000 1.204 758 C CB 0.826 28.694 27.740 0.214 0.000 1.978 758 C HN 0.474 nan 8.230 nan 0.000 0.435 759 N N 0.646 119.515 118.700 0.282 0.000 2.449 759 N HA 0.030 4.770 4.740 -0.000 0.000 0.191 759 N C 0.226 175.902 175.510 0.275 0.000 1.161 759 N CA 0.065 53.271 53.050 0.261 0.000 0.863 759 N CB -0.278 38.365 38.487 0.260 0.000 0.980 759 N HN 0.893 nan 8.380 nan 0.000 0.458 760 M N 1.738 121.502 119.600 0.273 0.000 2.242 760 M HA 0.074 4.554 4.480 -0.000 0.000 0.344 760 M C 0.155 176.552 176.300 0.162 0.000 1.140 760 M CA -0.266 55.152 55.300 0.197 0.000 1.160 760 M CB 0.857 33.515 32.600 0.098 0.000 1.491 760 M HN 0.206 nan 8.290 nan 0.000 0.459 761 T N 1.171 115.827 114.554 0.170 0.000 2.899 761 T HA 0.312 4.662 4.350 -0.000 0.000 0.284 761 T C 0.739 175.566 174.700 0.212 0.000 1.004 761 T CA -0.677 61.537 62.100 0.189 0.000 1.043 761 T CB 1.128 70.091 68.868 0.159 0.000 1.013 761 T HN 0.798 nan 8.240 nan 0.000 0.518 762 K N 0.484 121.020 120.400 0.227 0.000 2.057 762 K HA -0.120 4.200 4.320 -0.000 0.000 0.207 762 K C 1.823 178.558 176.600 0.225 0.000 1.049 762 K CA 1.575 57.987 56.287 0.209 0.000 0.931 762 K CB -0.192 32.415 32.500 0.178 0.000 0.714 762 K HN 0.600 nan 8.250 nan 0.000 0.440 763 D N 0.225 120.756 120.400 0.219 0.000 2.106 763 D HA -0.231 4.409 4.640 -0.000 0.000 0.191 763 D C 1.486 177.867 176.300 0.135 0.000 0.997 763 D CA 0.921 55.014 54.000 0.156 0.000 0.834 763 D CB -0.282 40.589 40.800 0.119 0.000 0.956 763 D HN 0.372 nan 8.370 nan 0.000 0.448 764 W N 0.325 121.592 121.300 -0.055 0.000 2.388 764 W HA -0.213 4.447 4.660 -0.000 0.000 0.294 764 W C 2.039 178.413 176.519 -0.241 0.000 1.212 764 W CA 0.375 57.616 57.345 -0.173 0.000 1.271 764 W CB -0.409 28.919 29.460 -0.219 0.000 1.126 764 W HN -0.089 nan 8.180 nan 0.000 0.535 765 F N 1.244 121.072 119.950 -0.203 0.000 2.171 765 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 765 F C 2.245 177.844 175.800 -0.335 0.000 1.090 765 F CA 1.763 59.548 58.000 -0.358 0.000 1.293 765 F CB -0.983 37.843 39.000 -0.289 0.000 1.013 765 F HN -0.147 nan 8.300 nan 0.000 0.486 766 L N -0.226 120.904 121.223 -0.155 0.000 2.027 766 L HA -0.118 4.222 4.340 -0.000 0.000 0.206 766 L C 2.170 178.835 176.870 -0.342 0.000 1.074 766 L CA 1.698 56.487 54.840 -0.085 0.000 0.745 766 L CB -1.012 41.099 42.059 0.087 0.000 0.898 766 L HN 0.028 nan 8.230 nan 0.000 0.433 767 V N -0.304 119.323 119.914 -0.478 0.000 2.343 767 V HA -0.250 3.870 4.120 -0.000 0.000 0.247 767 V C 2.677 178.310 176.094 -0.769 0.000 1.051 767 V CA 1.647 63.539 62.300 -0.681 0.000 1.036 767 V CB -0.803 30.518 31.823 -0.836 0.000 0.654 767 V HN 0.503 nan 8.190 nan 0.000 0.451 768 Q N -0.992 118.181 119.800 -1.044 0.000 2.119 768 Q HA -0.090 4.250 4.340 -0.000 0.000 0.201 768 Q C 2.232 177.790 176.000 -0.737 0.000 0.972 768 Q CA 1.258 56.397 55.803 -1.106 0.000 0.847 768 Q CB -0.420 27.247 28.738 -1.785 0.000 0.903 768 Q HN 0.463 nan 8.270 nan 0.000 0.433 769 M N -0.012 119.212 119.600 -0.626 0.000 2.132 769 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 769 M C 2.271 178.457 176.300 -0.191 0.000 1.065 769 M CA 1.084 56.222 55.300 -0.270 0.000 1.122 769 M CB -0.874 31.534 32.600 -0.320 0.000 1.365 769 M HN 0.160 nan 8.290 nan 0.000 0.411 770 L N -0.410 120.655 121.223 -0.263 0.000 2.027 770 L HA -0.127 4.213 4.340 -0.000 0.000 0.206 770 L C 2.708 179.478 176.870 -0.166 0.000 1.074 770 L CA 1.155 55.887 54.840 -0.180 0.000 0.745 770 L CB -0.901 41.063 42.059 -0.158 0.000 0.898 770 L HN 0.243 nan 8.230 nan 0.000 0.433 771 A N 0.221 122.894 122.820 -0.245 0.000 1.940 771 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 771 A C 1.965 179.369 177.584 -0.300 0.000 1.176 771 A CA 2.370 54.268 52.037 -0.231 0.000 0.631 771 A CB -0.641 18.178 19.000 -0.301 0.000 0.814 771 A HN 0.483 nan 8.150 nan 0.000 0.446 772 N N -2.407 116.010 118.700 -0.471 0.000 2.336 772 N HA 0.057 4.797 4.740 -0.000 0.000 0.177 772 N C 0.554 175.551 175.510 -0.854 0.000 1.018 772 N CA 1.339 53.921 53.050 -0.781 0.000 0.878 772 N CB 0.001 37.724 38.487 -1.273 0.000 0.997 772 N HN 0.623 nan 8.380 nan 0.000 0.433 773 Y N -1.422 118.822 120.300 -0.094 0.000 2.610 773 Y HA 0.396 4.946 4.550 -0.000 0.000 0.254 773 Y C -0.084 175.766 175.900 -0.084 0.000 1.110 773 Y CA -0.746 57.297 58.100 -0.095 0.000 1.238 773 Y CB -0.474 37.904 38.460 -0.136 0.000 1.322 773 Y HN -0.104 nan 8.280 nan 0.000 0.547 774 N N 0.668 119.374 118.700 0.011 0.000 2.782 774 N HA -0.190 4.550 4.740 -0.000 0.000 0.251 774 N C -0.716 174.789 175.510 -0.009 0.000 1.101 774 N CA 0.340 53.398 53.050 0.015 0.000 0.764 774 N CB -1.003 37.515 38.487 0.052 0.000 1.122 774 N HN 0.260 nan 8.380 nan 0.000 0.561 775 I N -0.195 120.342 120.570 -0.054 0.000 2.353 775 I HA 0.416 4.586 4.170 -0.000 0.000 0.293 775 I C 1.395 177.369 176.117 -0.238 0.000 0.992 775 I CA 0.367 61.566 61.300 -0.168 0.000 1.268 775 I CB 1.584 39.398 38.000 -0.309 0.000 1.387 775 I HN 0.271 nan 8.210 nan 0.000 0.478 776 G N 3.948 112.524 108.800 -0.373 0.000 3.685 776 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 776 G C 0.395 174.913 174.900 -0.636 0.000 0.987 776 G CA -0.248 44.463 45.100 -0.649 0.000 0.884 776 G HN 0.462 nan 8.290 nan 0.000 0.406 777 Y N 1.346 121.535 120.300 -0.186 0.000 2.544 777 Y HA 0.382 4.932 4.550 -0.000 0.000 0.286 777 Y C 2.083 177.914 175.900 -0.115 0.000 1.141 777 Y CA 1.088 59.109 58.100 -0.131 0.000 1.299 777 Y CB 0.528 38.950 38.460 -0.064 0.000 1.030 777 Y HN 0.250 nan 8.280 nan 0.000 0.543 778 Q N -0.058 119.749 119.800 0.011 0.000 2.333 778 Q HA 0.437 4.777 4.340 -0.000 0.000 0.365 778 Q C -0.075 175.943 176.000 0.029 0.000 0.882 778 Q CA -0.113 55.709 55.803 0.032 0.000 1.124 778 Q CB 1.063 29.847 28.738 0.076 0.000 1.345 778 Q HN 0.358 nan 8.270 nan 0.000 0.409 779 G N 0.509 109.244 108.800 -0.108 0.000 2.675 779 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.686 779 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.686 779 G C -1.205 173.610 174.900 -0.140 0.000 1.215 779 G CA -1.053 44.009 45.100 -0.064 0.000 0.777 779 G HN 0.130 nan 8.290 nan 0.000 0.638 780 F N 1.424 121.434 119.950 0.102 0.000 2.436 780 F HA 0.826 5.353 4.527 -0.000 0.000 0.340 780 F C 0.669 176.502 175.800 0.055 0.000 1.113 780 F CA -0.433 57.559 58.000 -0.013 0.000 1.022 780 F CB 1.592 40.675 39.000 0.139 0.000 1.128 780 F HN 0.736 nan 8.300 nan 0.000 0.466 781 Y N 0.104 120.497 120.300 0.156 0.000 2.656 781 Y HA 0.618 5.168 4.550 -0.000 0.000 0.334 781 Y C -1.043 174.732 175.900 -0.208 0.000 1.179 781 Y CA -2.094 56.004 58.100 -0.004 0.000 1.050 781 Y CB 0.478 38.920 38.460 -0.030 0.000 1.308 781 Y HN 0.341 nan 8.280 nan 0.000 0.456 782 I N 4.770 125.258 120.570 -0.138 0.000 2.668 782 I HA 0.126 4.296 4.170 -0.000 0.000 0.285 782 I C -1.908 173.967 176.117 -0.403 0.000 1.168 782 I CA -1.433 59.542 61.300 -0.541 0.000 1.424 782 I CB 0.507 38.316 38.000 -0.318 0.000 1.377 782 I HN 0.416 nan 8.210 nan 0.000 0.560 783 P HA 0.105 nan 4.420 nan 0.000 0.272 783 P C -0.704 176.363 177.300 -0.389 0.000 1.230 783 P CA -0.399 62.331 63.100 -0.616 0.000 0.788 783 P CB 0.568 31.497 31.700 -1.286 0.000 0.949 784 E N 0.348 120.359 120.200 -0.315 0.000 2.414 784 E HA 0.027 4.377 4.350 -0.000 0.000 0.263 784 E C 1.335 177.737 176.600 -0.329 0.000 1.000 784 E CA -0.012 56.216 56.400 -0.287 0.000 0.914 784 E CB 0.163 29.634 29.700 -0.381 0.000 0.948 784 E HN 0.301 nan 8.360 nan 0.000 0.444 785 S N 2.314 117.939 115.700 -0.126 0.000 2.381 785 S HA -0.295 4.175 4.470 -0.000 0.000 0.230 785 S C 1.777 176.368 174.600 -0.015 0.000 1.052 785 S CA 1.995 60.172 58.200 -0.038 0.000 1.068 785 S CB -0.522 62.704 63.200 0.043 0.000 0.918 785 S HN 0.694 nan 8.310 nan 0.000 0.448 786 Y N 1.155 121.466 120.300 0.018 0.000 2.497 786 Y HA 0.161 4.711 4.550 -0.000 0.000 0.292 786 Y C 1.649 177.586 175.900 0.061 0.000 1.137 786 Y CA 0.597 58.715 58.100 0.030 0.000 1.285 786 Y CB -0.444 38.029 38.460 0.022 0.000 0.991 786 Y HN 0.087 nan 8.280 nan 0.000 0.556 787 K N -0.347 119.827 120.400 -0.376 0.000 2.352 787 K HA 0.006 4.326 4.320 -0.000 0.000 0.194 787 K C -0.136 176.537 176.600 0.121 0.000 1.038 787 K CA 0.542 56.754 56.287 -0.124 0.000 1.023 787 K CB 0.257 32.633 32.500 -0.207 0.000 0.840 787 K HN 0.117 nan 8.250 nan 0.000 0.519 788 D N 2.128 122.554 120.400 0.043 0.000 2.638 788 D HA 0.046 4.686 4.640 -0.000 0.000 0.245 788 D C -0.053 176.317 176.300 0.116 0.000 1.176 788 D CA -0.260 53.834 54.000 0.156 0.000 0.996 788 D CB 0.232 41.033 40.800 0.001 0.000 1.012 788 D HN -0.091 nan 8.370 nan 0.000 0.515 789 R N 1.102 121.676 120.500 0.125 0.000 2.954 789 R HA 0.117 4.457 4.340 -0.000 0.000 0.276 789 R C 1.543 177.851 176.300 0.012 0.000 1.218 789 R CA -0.497 55.640 56.100 0.063 0.000 1.149 789 R CB -0.327 30.020 30.300 0.078 0.000 1.112 789 R HN 0.342 nan 8.270 nan 0.000 0.577 790 M N 0.069 119.604 119.600 -0.108 0.000 2.159 790 M HA -0.128 4.352 4.480 -0.000 0.000 0.263 790 M C 0.422 176.556 176.300 -0.277 0.000 1.063 790 M CA 1.850 56.986 55.300 -0.273 0.000 1.110 790 M CB 0.115 32.404 32.600 -0.518 0.000 1.374 790 M HN 0.419 nan 8.290 nan 0.000 0.411 791 Y N -0.169 120.169 120.300 0.065 0.000 2.571 791 Y HA 0.335 4.885 4.550 -0.000 0.000 0.275 791 Y C 0.737 176.687 175.900 0.083 0.000 1.179 791 Y CA -0.576 57.572 58.100 0.080 0.000 1.242 791 Y CB -0.357 38.148 38.460 0.075 0.000 1.126 791 Y HN 0.016 nan 8.280 nan 0.000 0.524 792 S N 0.210 116.028 115.700 0.197 0.000 2.632 792 S HA 0.063 4.533 4.470 -0.000 0.000 0.267 792 S C 0.951 175.696 174.600 0.242 0.000 1.276 792 S CA -0.665 57.656 58.200 0.202 0.000 0.998 792 S CB 0.615 63.971 63.200 0.259 0.000 0.953 792 S HN 0.374 nan 8.310 nan 0.000 0.547 793 F N 1.613 121.632 119.950 0.115 0.000 2.031 793 F HA -0.079 4.448 4.527 -0.000 0.000 0.295 793 F C 1.828 177.782 175.800 0.257 0.000 1.133 793 F CA 1.377 59.455 58.000 0.130 0.000 1.188 793 F CB -0.770 38.245 39.000 0.025 0.000 0.974 793 F HN 0.647 nan 8.300 nan 0.000 0.473 794 F N 1.415 121.209 119.950 -0.261 0.000 2.065 794 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 794 F C 2.744 178.469 175.800 -0.125 0.000 1.112 794 F CA 2.317 60.106 58.000 -0.351 0.000 1.212 794 F CB -0.670 38.238 39.000 -0.154 0.000 0.975 794 F HN 0.019 nan 8.300 nan 0.000 0.476 795 R N 0.891 121.438 120.500 0.078 0.000 2.154 795 R HA -0.192 4.148 4.340 -0.000 0.000 0.248 795 R C 1.316 177.570 176.300 -0.076 0.000 1.155 795 R CA 2.220 58.328 56.100 0.013 0.000 0.979 795 R CB -0.714 29.632 30.300 0.077 0.000 0.869 795 R HN 0.356 nan 8.270 nan 0.000 0.452 796 N N -0.794 117.878 118.700 -0.047 0.000 2.205 796 N HA -0.030 4.710 4.740 -0.000 0.000 0.201 796 N C -0.766 174.766 175.510 0.037 0.000 1.128 796 N CA -0.087 52.973 53.050 0.016 0.000 0.867 796 N CB 0.263 38.817 38.487 0.112 0.000 0.996 796 N HN 0.079 nan 8.380 nan 0.000 0.503 797 F N 3.090 122.846 119.950 -0.324 0.000 2.471 797 F HA 0.175 4.702 4.527 -0.000 0.000 0.365 797 F C -0.033 175.649 175.800 -0.196 0.000 1.095 797 F CA -0.250 57.575 58.000 -0.291 0.000 1.174 797 F CB 0.531 39.129 39.000 -0.670 0.000 1.105 797 F HN -0.171 nan 8.300 nan 0.000 0.535 798 Q N 8.915 128.465 119.800 -0.416 0.000 2.674 798 Q HA 0.279 4.619 4.340 -0.000 0.000 0.249 798 Q C -2.643 173.106 176.000 -0.419 0.000 1.011 798 Q CA -1.932 53.623 55.803 -0.413 0.000 0.734 798 Q CB 1.445 30.086 28.738 -0.162 0.000 1.201 798 Q HN 0.450 nan 8.270 nan 0.000 0.498 799 P HA 0.268 nan 4.420 nan 0.000 0.275 799 P C -0.516 176.716 177.300 -0.112 0.000 1.227 799 P CA -0.106 62.802 63.100 -0.320 0.000 0.781 799 P CB 1.073 32.544 31.700 -0.381 0.000 0.906 800 M N 1.129 120.740 119.600 0.018 0.000 2.531 800 M HA 0.440 4.920 4.480 -0.000 0.000 0.286 800 M C -0.457 176.046 176.300 0.340 0.000 1.232 800 M CA -0.365 55.012 55.300 0.128 0.000 0.877 800 M CB 2.713 35.323 32.600 0.017 0.000 1.726 800 M HN 0.195 nan 8.290 nan 0.000 0.463 801 S N 0.527 116.473 115.700 0.410 0.000 2.579 801 S HA 0.874 5.344 4.470 -0.000 0.000 0.272 801 S C -1.475 173.174 174.600 0.082 0.000 1.141 801 S CA -0.954 57.427 58.200 0.302 0.000 0.843 801 S CB 2.731 66.008 63.200 0.129 0.000 1.122 801 S HN 0.792 nan 8.310 nan 0.000 0.468 802 R N 0.612 120.953 120.500 -0.265 0.000 2.728 802 R HA 0.696 5.036 4.340 -0.000 0.000 0.274 802 R C -2.117 173.965 176.300 -0.362 0.000 1.030 802 R CA -0.957 54.875 56.100 -0.446 0.000 0.876 802 R CB 0.741 30.426 30.300 -1.024 0.000 1.259 802 R HN 0.417 nan 8.270 nan 0.000 0.468 803 Q N 0.223 119.853 119.800 -0.284 0.000 2.351 803 Q HA 0.714 5.054 4.340 -0.000 0.000 0.273 803 Q C -1.177 174.696 176.000 -0.211 0.000 1.077 803 Q CA -0.681 54.998 55.803 -0.206 0.000 0.843 803 Q CB 2.895 31.551 28.738 -0.138 0.000 1.367 803 Q HN 0.609 nan 8.270 nan 0.000 0.449 804 V N -2.226 117.589 119.914 -0.165 0.000 3.120 804 V HA 0.697 4.817 4.120 -0.000 0.000 0.303 804 V C -0.362 175.661 176.094 -0.118 0.000 1.238 804 V CA -1.413 60.811 62.300 -0.127 0.000 1.008 804 V CB 1.223 32.979 31.823 -0.112 0.000 1.064 804 V HN 0.650 nan 8.190 nan 0.000 0.434 805 V N -0.439 119.414 119.914 -0.102 0.000 2.720 805 V HA 0.192 4.312 4.120 -0.000 0.000 0.307 805 V C 0.393 176.376 176.094 -0.184 0.000 1.071 805 V CA 0.444 62.636 62.300 -0.181 0.000 1.199 805 V CB 0.263 31.970 31.823 -0.194 0.000 0.900 805 V HN 1.056 nan 8.190 nan 0.000 0.494 806 D N 4.317 124.606 120.400 -0.186 0.000 2.374 806 D HA 0.043 4.683 4.640 -0.000 0.000 0.240 806 D C 1.100 177.254 176.300 -0.244 0.000 1.229 806 D CA -0.068 53.833 54.000 -0.165 0.000 0.895 806 D CB 0.969 41.708 40.800 -0.101 0.000 1.046 806 D HN 0.863 nan 8.370 nan 0.000 0.498 807 D N 1.567 121.713 120.400 -0.423 0.000 2.384 807 D HA -0.159 4.481 4.640 -0.000 0.000 0.222 807 D C 1.165 177.235 176.300 -0.383 0.000 0.976 807 D CA 0.628 54.140 54.000 -0.813 0.000 0.915 807 D CB -0.070 40.143 40.800 -0.979 0.000 0.896 807 D HN 0.414 nan 8.370 nan 0.000 0.523 808 T N -3.528 110.911 114.554 -0.190 0.000 3.044 808 T HA 0.254 4.604 4.350 -0.000 0.000 0.260 808 T C 1.398 176.071 174.700 -0.045 0.000 1.019 808 T CA -0.407 61.639 62.100 -0.090 0.000 0.921 808 T CB 0.356 69.185 68.868 -0.066 0.000 1.053 808 T HN 0.023 nan 8.240 nan 0.000 0.533 809 K N -0.495 119.886 120.400 -0.032 0.000 2.502 809 K HA 0.222 4.542 4.320 -0.000 0.000 0.211 809 K C -0.650 175.986 176.600 0.059 0.000 1.259 809 K CA -0.401 55.889 56.287 0.003 0.000 0.983 809 K CB 0.706 33.204 32.500 -0.004 0.000 1.054 809 K HN 0.300 nan 8.250 nan 0.000 0.572 810 Y N 3.439 123.687 120.300 -0.086 0.000 2.556 810 Y HA 0.103 4.653 4.550 -0.000 0.000 0.352 810 Y C 0.842 176.735 175.900 -0.011 0.000 1.006 810 Y CA -0.597 57.462 58.100 -0.068 0.000 1.277 810 Y CB 0.265 38.650 38.460 -0.125 0.000 1.136 810 Y HN -0.102 nan 8.280 nan 0.000 0.523 811 K N 2.292 122.519 120.400 -0.288 0.000 2.077 811 K HA -0.223 4.097 4.320 -0.000 0.000 0.213 811 K C 0.579 176.933 176.600 -0.409 0.000 1.051 811 K CA 2.153 58.267 56.287 -0.288 0.000 0.929 811 K CB 0.077 32.456 32.500 -0.202 0.000 0.715 811 K HN 0.689 nan 8.250 nan 0.000 0.451 812 D N -0.231 119.667 120.400 -0.837 0.000 2.319 812 D HA -0.060 4.580 4.640 -0.000 0.000 0.230 812 D C -0.040 176.053 176.300 -0.345 0.000 1.094 812 D CA 0.025 53.691 54.000 -0.556 0.000 0.856 812 D CB -0.319 40.214 40.800 -0.445 0.000 0.915 812 D HN 0.139 nan 8.370 nan 0.000 0.517 813 Y N 2.355 122.407 120.300 -0.413 0.000 2.811 813 Y HA -0.060 4.490 4.550 -0.000 0.000 0.334 813 Y C 0.096 176.055 175.900 0.100 0.000 1.247 813 Y CA 0.527 58.628 58.100 0.001 0.000 1.526 813 Y CB 0.354 38.842 38.460 0.046 0.000 1.284 813 Y HN -0.154 nan 8.280 nan 0.000 0.586 814 Q N 5.792 125.226 119.800 -0.610 0.000 2.263 814 Q HA 0.147 4.487 4.340 -0.000 0.000 0.266 814 Q C -1.339 174.263 176.000 -0.662 0.000 1.002 814 Q CA -0.706 54.825 55.803 -0.453 0.000 0.790 814 Q CB 2.005 30.676 28.738 -0.110 0.000 1.272 814 Q HN 0.786 nan 8.270 nan 0.000 0.435 815 Q N 2.409 121.918 119.800 -0.484 0.000 2.323 815 Q HA 0.417 4.757 4.340 -0.000 0.000 0.257 815 Q C -1.059 174.910 176.000 -0.052 0.000 1.022 815 Q CA -0.163 55.537 55.803 -0.171 0.000 0.919 815 Q CB 0.664 29.449 28.738 0.077 0.000 1.220 815 Q HN 0.360 nan 8.270 nan 0.000 0.427 816 V N 3.643 123.545 119.914 -0.020 0.000 2.487 816 V HA 0.592 4.712 4.120 -0.000 0.000 0.298 816 V C 0.551 176.600 176.094 -0.074 0.000 1.028 816 V CA -0.726 61.553 62.300 -0.036 0.000 0.860 816 V CB 1.567 33.345 31.823 -0.074 0.000 0.991 816 V HN 0.859 nan 8.190 nan 0.000 0.427 817 G N 2.274 111.063 108.800 -0.018 0.000 2.522 817 G HA2 0.504 4.465 3.960 -0.000 0.000 0.304 817 G HA3 0.504 4.465 3.960 -0.000 0.000 0.304 817 G C 0.853 175.679 174.900 -0.123 0.000 1.210 817 G CA -0.536 44.532 45.100 -0.053 0.000 0.960 817 G HN 0.740 nan 8.290 nan 0.000 0.497 818 I N -0.537 119.955 120.570 -0.131 0.000 2.236 818 I HA -0.219 3.951 4.170 -0.000 0.000 0.249 818 I C 2.489 178.531 176.117 -0.126 0.000 1.102 818 I CA 1.100 62.318 61.300 -0.136 0.000 1.365 818 I CB -0.992 36.950 38.000 -0.098 0.000 1.051 818 I HN 0.364 nan 8.210 nan 0.000 0.420 819 L N -0.262 120.856 121.223 -0.174 0.000 2.129 819 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 819 L C 1.692 178.302 176.870 -0.432 0.000 1.087 819 L CA 1.814 56.467 54.840 -0.311 0.000 0.757 819 L CB -0.714 41.085 42.059 -0.434 0.000 0.896 819 L HN 0.467 nan 8.230 nan 0.000 0.434 820 H N -2.593 116.495 119.070 0.029 0.000 2.785 820 H HA 0.231 4.787 4.556 -0.000 0.000 0.268 820 H C -0.121 175.197 175.328 -0.018 0.000 1.153 820 H CA -0.359 55.706 56.048 0.029 0.000 1.111 820 H CB 0.387 30.149 29.762 -0.001 0.000 1.633 820 H HN 0.294 nan 8.280 nan 0.000 0.576 821 Q N 1.369 121.161 119.800 -0.014 0.000 2.243 821 Q HA 0.298 4.638 4.340 -0.000 0.000 0.252 821 Q C -0.654 175.372 176.000 0.044 0.000 0.909 821 Q CA -0.666 55.064 55.803 -0.121 0.000 0.922 821 Q CB 1.153 29.683 28.738 -0.346 0.000 1.215 821 Q HN 0.528 nan 8.270 nan 0.000 0.427 822 H N -0.347 118.764 119.070 0.067 0.000 2.840 822 H HA 0.566 5.122 4.556 -0.000 0.000 0.340 822 H C -1.463 173.922 175.328 0.094 0.000 1.004 822 H CA -0.954 55.148 56.048 0.090 0.000 1.288 822 H CB 1.090 30.890 29.762 0.063 0.000 1.607 822 H HN 0.430 nan 8.280 nan 0.000 0.522 823 N N 3.145 121.991 118.700 0.244 0.000 2.519 823 N HA 0.182 4.922 4.740 -0.000 0.000 0.291 823 N C -0.743 174.934 175.510 0.277 0.000 1.107 823 N CA -0.377 52.777 53.050 0.173 0.000 0.904 823 N CB 0.911 39.352 38.487 -0.076 0.000 1.500 823 N HN 0.869 nan 8.380 nan 0.000 0.510 824 N N 0.221 119.097 118.700 0.293 0.000 2.882 824 N HA -0.157 4.583 4.740 -0.000 0.000 0.249 824 N C -0.669 175.048 175.510 0.345 0.000 1.079 824 N CA 1.044 54.329 53.050 0.392 0.000 0.800 824 N CB -1.456 37.230 38.487 0.332 0.000 1.124 824 N HN 0.734 nan 8.380 nan 0.000 0.557 825 S N -0.889 114.940 115.700 0.215 0.000 2.552 825 S HA 0.395 4.865 4.470 -0.000 0.000 0.289 825 S C 1.628 176.107 174.600 -0.202 0.000 1.304 825 S CA 0.983 59.205 58.200 0.036 0.000 1.063 825 S CB 1.537 64.729 63.200 -0.013 0.000 0.848 825 S HN 1.029 nan 8.310 nan 0.000 0.499 826 G N 1.973 110.596 108.800 -0.295 0.000 2.268 826 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.240 826 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.240 826 G C 0.242 174.751 174.900 -0.652 0.000 1.010 826 G CA 0.369 45.130 45.100 -0.565 0.000 0.618 826 G HN 0.778 nan 8.290 nan 0.000 0.516 827 F N 0.544 120.502 119.950 0.013 0.000 2.706 827 F HA 0.610 5.137 4.527 -0.000 0.000 0.308 827 F C 0.984 176.785 175.800 0.001 0.000 1.095 827 F CA -0.192 57.813 58.000 0.008 0.000 1.244 827 F CB 0.848 39.861 39.000 0.022 0.000 1.063 827 F HN 0.156 nan 8.300 nan 0.000 0.582 828 V N -0.931 119.055 119.914 0.121 0.000 3.126 828 V HA 0.766 4.886 4.120 -0.000 0.000 0.314 828 V C 0.522 176.628 176.094 0.020 0.000 1.138 828 V CA -1.221 61.120 62.300 0.069 0.000 1.034 828 V CB 1.504 33.386 31.823 0.098 0.000 1.075 828 V HN 0.078 nan 8.190 nan 0.000 0.442 829 G N -0.579 108.214 108.800 -0.012 0.000 2.599 829 G HA2 0.365 4.325 3.960 -0.000 0.000 0.264 829 G HA3 0.365 4.325 3.960 -0.000 0.000 0.264 829 G C -1.243 173.693 174.900 0.061 0.000 1.200 829 G CA -0.148 44.941 45.100 -0.018 0.000 0.896 829 G HN 0.684 nan 8.290 nan 0.000 0.536 830 Y N 1.011 121.264 120.300 -0.079 0.000 2.367 830 Y HA 0.365 4.915 4.550 -0.000 0.000 0.342 830 Y C 1.051 176.928 175.900 -0.037 0.000 0.979 830 Y CA -0.960 57.104 58.100 -0.060 0.000 1.161 830 Y CB 0.333 38.745 38.460 -0.079 0.000 1.155 830 Y HN 0.463 nan 8.280 nan 0.000 0.503 831 L N 4.199 125.186 121.223 -0.393 0.000 3.976 831 L HA -0.341 3.999 4.340 -0.000 0.000 0.418 831 L C -0.214 176.609 176.870 -0.078 0.000 1.177 831 L CA 0.788 55.416 54.840 -0.354 0.000 0.968 831 L CB -2.054 39.587 42.059 -0.697 0.000 1.933 831 L HN 0.720 nan 8.230 nan 0.000 0.976 832 A N -1.244 121.535 122.820 -0.068 0.000 2.601 832 A HA 0.727 5.047 4.320 -0.000 0.000 0.291 832 A C -2.466 175.040 177.584 -0.131 0.000 1.075 832 A CA -0.637 51.372 52.037 -0.047 0.000 0.671 832 A CB 1.211 20.209 19.000 -0.003 0.000 1.277 832 A HN -0.085 nan 8.150 nan 0.000 0.417 833 P HA 0.134 nan 4.420 nan 0.000 0.243 833 P C 0.344 177.513 177.300 -0.219 0.000 1.668 833 P CA 0.493 63.393 63.100 -0.333 0.000 0.898 833 P CB -0.581 30.830 31.700 -0.481 0.000 1.637 834 T N -3.982 110.475 114.554 -0.161 0.000 2.892 834 T HA 0.410 4.760 4.350 -0.000 0.000 0.280 834 T C 0.599 175.211 174.700 -0.146 0.000 1.004 834 T CA -1.106 60.903 62.100 -0.152 0.000 0.950 834 T CB 0.486 69.256 68.868 -0.163 0.000 1.309 834 T HN -0.010 nan 8.240 nan 0.000 0.592 835 M N 1.804 121.309 119.600 -0.159 0.000 2.245 835 M HA 0.109 4.589 4.480 -0.000 0.000 0.335 835 M C 0.338 176.573 176.300 -0.109 0.000 1.155 835 M CA -0.490 54.731 55.300 -0.132 0.000 1.055 835 M CB 0.419 32.929 32.600 -0.150 0.000 1.670 835 M HN 0.771 nan 8.290 nan 0.000 0.447 836 R N 3.561 124.017 120.500 -0.073 0.000 2.734 836 R HA 0.220 4.560 4.340 -0.000 0.000 0.266 836 R C -0.745 175.502 176.300 -0.087 0.000 1.044 836 R CA 0.051 56.117 56.100 -0.055 0.000 1.128 836 R CB 0.035 30.326 30.300 -0.015 0.000 1.010 836 R HN 0.747 nan 8.270 nan 0.000 0.461 837 E N -0.358 119.783 120.200 -0.099 0.000 2.437 837 E HA 0.583 4.933 4.350 -0.000 0.000 0.280 837 E C -0.435 176.068 176.600 -0.161 0.000 1.044 837 E CA -1.064 55.261 56.400 -0.126 0.000 0.826 837 E CB 0.986 30.617 29.700 -0.115 0.000 1.358 837 E HN 0.895 nan 8.360 nan 0.000 0.459 838 G N 0.554 109.243 108.800 -0.184 0.000 2.548 838 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.208 838 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.208 838 G C -1.149 173.602 174.900 -0.249 0.000 1.308 838 G CA -0.059 44.908 45.100 -0.222 0.000 0.924 838 G HN 0.975 nan 8.290 nan 0.000 0.540 839 Q N -0.993 118.646 119.800 -0.269 0.000 2.416 839 Q HA 0.783 5.123 4.340 -0.000 0.000 0.281 839 Q C -0.052 175.807 176.000 -0.234 0.000 1.067 839 Q CA -0.371 55.281 55.803 -0.252 0.000 0.809 839 Q CB 1.904 30.524 28.738 -0.196 0.000 1.418 839 Q HN 2.223 nan 8.270 nan 0.000 0.411 840 A N 1.609 124.307 122.820 -0.204 0.000 2.507 840 A HA 0.457 4.777 4.320 -0.000 0.000 0.235 840 A C -1.125 176.570 177.584 0.184 0.000 1.070 840 A CA 0.470 52.492 52.037 -0.025 0.000 0.768 840 A CB 0.048 19.119 19.000 0.118 0.000 1.011 840 A HN 0.671 nan 8.150 nan 0.000 0.502 841 Y N 0.303 120.608 120.300 0.010 0.000 2.643 841 Y HA 0.331 4.881 4.550 -0.000 0.000 0.347 841 Y C -2.446 173.501 175.900 0.078 0.000 1.208 841 Y CA -1.322 56.776 58.100 -0.003 0.000 1.245 841 Y CB 1.289 39.673 38.460 -0.126 0.000 1.369 841 Y HN 0.662 nan 8.280 nan 0.000 0.487 842 P HA 0.301 nan 4.420 nan 0.000 0.264 842 P C -0.665 176.748 177.300 0.188 0.000 1.183 842 P CA 0.139 63.228 63.100 -0.018 0.000 0.763 842 P CB 0.707 32.318 31.700 -0.148 0.000 0.807 843 A N 3.297 126.193 122.820 0.127 0.000 2.386 843 A HA 0.156 4.476 4.320 -0.000 0.000 0.248 843 A C 1.146 178.698 177.584 -0.054 0.000 1.082 843 A CA -0.321 51.770 52.037 0.090 0.000 0.789 843 A CB -0.127 18.861 19.000 -0.020 0.000 1.025 843 A HN 0.719 nan 8.150 nan 0.000 0.490 844 N N -0.251 118.294 118.700 -0.260 0.000 2.177 844 N HA 0.230 4.970 4.740 -0.000 0.000 0.218 844 N C -0.761 174.634 175.510 -0.192 0.000 1.182 844 N CA -0.075 52.815 53.050 -0.267 0.000 0.882 844 N CB 0.311 38.534 38.487 -0.440 0.000 1.052 844 N HN 0.418 nan 8.380 nan 0.000 0.519 845 F N 0.942 120.661 119.950 -0.385 0.000 2.650 845 F HA 0.601 5.128 4.527 -0.000 0.000 0.310 845 F C -2.881 172.648 175.800 -0.452 0.000 1.112 845 F CA -1.477 56.287 58.000 -0.394 0.000 0.986 845 F CB 2.155 40.977 39.000 -0.297 0.000 1.285 845 F HN -0.198 nan 8.300 nan 0.000 0.440 846 P HA 0.278 nan 4.420 nan 0.000 0.287 846 P C -1.423 175.494 177.300 -0.638 0.000 1.296 846 P CA -0.315 61.972 63.100 -1.355 0.000 0.811 846 P CB 1.251 32.250 31.700 -1.168 0.000 1.211 847 Y N -0.180 119.887 120.300 -0.389 0.000 2.411 847 Y HA 0.200 4.750 4.550 -0.000 0.000 0.333 847 Y C -1.443 174.334 175.900 -0.205 0.000 1.186 847 Y CA -1.260 56.714 58.100 -0.211 0.000 1.381 847 Y CB -0.993 37.372 38.460 -0.160 0.000 1.273 847 Y HN 0.213 nan 8.280 nan 0.000 0.546 848 P HA 0.141 nan 4.420 nan 0.000 0.276 848 P C -0.021 177.241 177.300 -0.062 0.000 1.243 848 P CA 0.170 63.249 63.100 -0.035 0.000 0.768 848 P CB 0.583 32.271 31.700 -0.021 0.000 0.856 849 L N 3.334 124.517 121.223 -0.067 0.000 2.640 849 L HA 0.299 4.639 4.340 -0.000 0.000 0.230 849 L C 0.934 177.765 176.870 -0.066 0.000 1.123 849 L CA 0.096 54.887 54.840 -0.082 0.000 0.900 849 L CB -0.128 41.881 42.059 -0.083 0.000 1.146 849 L HN 0.387 nan 8.230 nan 0.000 0.484 850 I N -4.050 116.490 120.570 -0.050 0.000 3.042 850 I HA 0.895 5.065 4.170 -0.000 0.000 0.310 850 I C 0.425 176.524 176.117 -0.030 0.000 1.117 850 I CA -0.634 60.643 61.300 -0.037 0.000 1.003 850 I CB 1.786 39.769 38.000 -0.029 0.000 1.228 850 I HN 0.045 nan 8.210 nan 0.000 0.443 851 G N 3.267 112.053 108.800 -0.023 0.000 2.693 851 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 851 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 851 G C 0.157 175.048 174.900 -0.014 0.000 1.354 851 G CA 0.255 45.345 45.100 -0.016 0.000 0.873 851 G HN 0.925 nan 8.290 nan 0.000 0.562 852 K N -0.230 120.165 120.400 -0.007 0.000 2.097 852 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 852 K C 2.999 179.600 176.600 0.002 0.000 1.049 852 K CA 2.301 58.588 56.287 -0.001 0.000 0.933 852 K CB -0.447 32.055 32.500 0.003 0.000 0.717 852 K HN 0.796 nan 8.250 nan 0.000 0.442 853 T N -0.071 114.484 114.554 0.000 0.000 2.788 853 T HA -0.047 4.303 4.350 -0.000 0.000 0.268 853 T C 1.114 175.804 174.700 -0.016 0.000 1.044 853 T CA 0.555 62.658 62.100 0.006 0.000 1.139 853 T CB -0.427 68.443 68.868 0.003 0.000 0.867 853 T HN 0.182 nan 8.240 nan 0.000 0.454 854 A N 2.582 125.380 122.820 -0.038 0.000 2.584 854 A HA 0.438 4.758 4.320 -0.000 0.000 0.239 854 A C 0.737 178.248 177.584 -0.122 0.000 1.043 854 A CA -0.046 51.945 52.037 -0.078 0.000 0.756 854 A CB -0.415 18.545 19.000 -0.066 0.000 0.963 854 A HN 1.068 nan 8.150 nan 0.000 0.511 855 V N 1.842 121.611 119.914 -0.242 0.000 2.834 855 V HA 0.319 4.439 4.120 -0.000 0.000 0.301 855 V C 0.047 175.940 176.094 -0.334 0.000 1.066 855 V CA -1.034 60.970 62.300 -0.493 0.000 1.052 855 V CB 0.963 32.242 31.823 -0.907 0.000 1.021 855 V HN 0.788 nan 8.190 nan 0.000 0.480 856 D N 3.586 123.818 120.400 -0.280 0.000 2.487 856 D HA 0.231 4.871 4.640 -0.000 0.000 0.243 856 D C 0.409 176.608 176.300 -0.168 0.000 1.154 856 D CA 0.821 54.746 54.000 -0.124 0.000 0.876 856 D CB 0.975 41.774 40.800 -0.001 0.000 1.161 856 D HN 1.014 nan 8.370 nan 0.000 0.478 857 S N 2.026 117.651 115.700 -0.125 0.000 2.677 857 S HA 0.760 5.230 4.470 -0.000 0.000 0.304 857 S C -0.264 174.280 174.600 -0.094 0.000 1.108 857 S CA -0.970 57.155 58.200 -0.125 0.000 0.944 857 S CB 2.207 65.334 63.200 -0.123 0.000 1.127 857 S HN 0.473 nan 8.310 nan 0.000 0.511 858 I N 0.452 120.964 120.570 -0.097 0.000 2.730 858 I HA 0.526 4.696 4.170 -0.000 0.000 0.298 858 I C -1.079 174.988 176.117 -0.084 0.000 1.089 858 I CA -0.379 60.875 61.300 -0.076 0.000 1.041 858 I CB 2.375 40.333 38.000 -0.071 0.000 1.235 858 I HN 0.773 nan 8.210 nan 0.000 0.423 859 T N 5.624 120.142 114.554 -0.060 0.000 2.867 859 T HA 0.432 4.782 4.350 -0.000 0.000 0.282 859 T C -0.909 173.768 174.700 -0.039 0.000 1.000 859 T CA -0.475 61.588 62.100 -0.062 0.000 1.042 859 T CB 1.267 70.115 68.868 -0.032 0.000 0.973 859 T HN 0.498 nan 8.240 nan 0.000 0.465 860 Q N 1.873 121.636 119.800 -0.063 0.000 2.337 860 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 860 Q C -0.881 175.223 176.000 0.173 0.000 1.043 860 Q CA -0.792 55.032 55.803 0.036 0.000 0.794 860 Q CB 2.778 31.514 28.738 -0.004 0.000 1.281 860 Q HN 0.404 nan 8.270 nan 0.000 0.446 861 K N 1.982 122.531 120.400 0.249 0.000 2.316 861 K HA 0.536 4.856 4.320 -0.000 0.000 0.251 861 K C -0.993 175.780 176.600 0.288 0.000 0.934 861 K CA -0.489 55.973 56.287 0.290 0.000 0.802 861 K CB 1.742 34.358 32.500 0.192 0.000 1.171 861 K HN 0.627 nan 8.250 nan 0.000 0.426 862 K N 0.804 121.350 120.400 0.243 0.000 2.544 862 K HA 0.514 4.834 4.320 -0.000 0.000 0.282 862 K C -1.539 175.164 176.600 0.171 0.000 1.020 862 K CA -0.948 55.421 56.287 0.136 0.000 0.830 862 K CB 1.068 33.525 32.500 -0.072 0.000 1.521 862 K HN 0.421 nan 8.250 nan 0.000 0.376 863 F N -1.134 118.824 119.950 0.013 0.000 2.741 863 F HA 0.714 5.241 4.527 -0.000 0.000 0.311 863 F C -2.374 173.436 175.800 0.016 0.000 1.149 863 F CA -1.169 56.830 58.000 -0.002 0.000 0.930 863 F CB 1.039 40.138 39.000 0.166 0.000 1.312 863 F HN 0.355 nan 8.300 nan 0.000 0.450 864 L N 1.910 123.218 121.223 0.141 0.000 2.341 864 L HA 0.747 5.087 4.340 -0.000 0.000 0.267 864 L C -0.958 176.186 176.870 0.457 0.000 1.009 864 L CA -0.742 54.129 54.840 0.052 0.000 0.819 864 L CB 2.017 44.010 42.059 -0.111 0.000 1.323 864 L HN 1.021 nan 8.230 nan 0.000 0.425 865 C N 2.092 121.650 119.300 0.430 0.000 3.166 865 C HA 0.342 4.801 4.460 -0.000 0.000 0.277 865 C C -0.688 174.469 174.990 0.279 0.000 0.984 865 C CA -0.844 58.430 59.018 0.426 0.000 1.142 865 C CB -0.963 27.160 27.740 0.639 0.000 1.721 865 C HN 0.793 nan 8.230 nan 0.000 0.628 866 D N 1.664 122.245 120.400 0.302 0.000 2.371 866 D HA 0.226 4.866 4.640 -0.000 0.000 0.242 866 D C 0.982 177.509 176.300 0.378 0.000 1.218 866 D CA 0.137 54.372 54.000 0.391 0.000 0.945 866 D CB 0.436 41.538 40.800 0.504 0.000 1.137 866 D HN 0.727 nan 8.370 nan 0.000 0.464 867 R N -1.765 119.033 120.500 0.497 0.000 3.484 867 R HA -0.238 4.102 4.340 -0.000 0.000 0.260 867 R C -0.666 175.919 176.300 0.476 0.000 1.053 867 R CA 0.959 57.361 56.100 0.503 0.000 0.703 867 R CB -2.545 28.041 30.300 0.477 0.000 1.089 867 R HN 0.354 nan 8.270 nan 0.000 0.459 868 T N -0.280 114.454 114.554 0.300 0.000 2.865 868 T HA 0.717 5.067 4.350 -0.000 0.000 0.294 868 T C -1.000 173.592 174.700 -0.180 0.000 1.119 868 T CA -0.865 61.305 62.100 0.118 0.000 1.007 868 T CB 1.401 70.310 68.868 0.068 0.000 1.225 868 T HN 0.270 nan 8.240 nan 0.000 0.515 869 L N 1.897 122.953 121.223 -0.279 0.000 2.346 869 L HA 0.553 4.893 4.340 -0.000 0.000 0.276 869 L C -0.615 175.991 176.870 -0.440 0.000 1.006 869 L CA -0.972 53.564 54.840 -0.506 0.000 0.817 869 L CB 1.759 43.547 42.059 -0.453 0.000 1.272 869 L HN 0.716 nan 8.230 nan 0.000 0.421 870 W N 2.774 123.713 121.300 -0.602 0.000 2.181 870 W HA 0.338 4.998 4.660 -0.000 0.000 0.335 870 W C 0.244 176.375 176.519 -0.647 0.000 1.310 870 W CA -0.506 56.432 57.345 -0.678 0.000 1.226 870 W CB 0.611 29.318 29.460 -1.254 0.000 1.155 870 W HN 0.287 nan 8.180 nan 0.000 0.565 871 R N 3.188 123.571 120.500 -0.195 0.000 2.628 871 R HA 0.569 4.909 4.340 -0.000 0.000 0.288 871 R C -1.046 175.143 176.300 -0.185 0.000 0.980 871 R CA -0.956 55.033 56.100 -0.186 0.000 0.891 871 R CB 1.874 32.041 30.300 -0.221 0.000 1.188 871 R HN 0.435 nan 8.270 nan 0.000 0.450 872 I N 4.196 124.789 120.570 0.038 0.000 2.583 872 I HA 0.264 4.434 4.170 -0.000 0.000 0.276 872 I C -2.295 174.044 176.117 0.370 0.000 1.089 872 I CA -2.080 59.295 61.300 0.126 0.000 1.103 872 I CB 2.058 40.143 38.000 0.142 0.000 1.209 872 I HN 0.282 nan 8.210 nan 0.000 0.484 873 P HA 0.056 nan 4.420 nan 0.000 0.275 873 P C -0.482 177.111 177.300 0.488 0.000 1.228 873 P CA -0.257 62.998 63.100 0.258 0.000 0.786 873 P CB 1.012 32.813 31.700 0.168 0.000 0.927 874 F N 2.425 122.358 119.950 -0.029 0.000 2.640 874 F HA 0.299 4.826 4.527 -0.000 0.000 0.354 874 F C 0.353 176.196 175.800 0.072 0.000 1.213 874 F CA -0.144 57.828 58.000 -0.046 0.000 1.314 874 F CB -0.595 38.124 39.000 -0.468 0.000 1.679 874 F HN 0.118 nan 8.300 nan 0.000 0.622 875 S N 0.650 116.457 115.700 0.177 0.000 2.538 875 S HA 0.311 4.781 4.470 -0.000 0.000 0.288 875 S C 0.968 175.519 174.600 -0.080 0.000 1.108 875 S CA -0.070 58.140 58.200 0.017 0.000 0.971 875 S CB 1.252 64.491 63.200 0.065 0.000 1.041 875 S HN 0.504 nan 8.310 nan 0.000 0.483 876 S N 3.459 119.078 115.700 -0.134 0.000 2.420 876 S HA -0.181 4.289 4.470 -0.000 0.000 0.237 876 S C 0.921 175.329 174.600 -0.321 0.000 1.023 876 S CA 1.790 59.870 58.200 -0.200 0.000 0.991 876 S CB -0.629 62.489 63.200 -0.135 0.000 0.792 876 S HN 0.869 nan 8.310 nan 0.000 0.488 877 N N -0.558 118.004 118.700 -0.230 0.000 2.197 877 N HA 0.246 4.986 4.740 -0.000 0.000 0.228 877 N C 0.267 175.805 175.510 0.046 0.000 1.212 877 N CA -0.382 52.581 53.050 -0.143 0.000 0.883 877 N CB -0.965 37.499 38.487 -0.038 0.000 1.107 877 N HN 0.427 nan 8.380 nan 0.000 0.519 878 F N -1.242 118.786 119.950 0.129 0.000 2.825 878 F HA -0.307 4.220 4.527 0.000 0.000 0.358 878 F C 0.456 176.280 175.800 0.040 0.000 0.639 878 F CA 0.529 58.586 58.000 0.095 0.000 1.153 878 F CB -1.458 37.576 39.000 0.058 0.000 1.610 878 F HN 0.082 nan 8.300 nan 0.000 0.305 879 M N 0.080 119.799 119.600 0.198 0.000 2.227 879 M HA 0.303 4.783 4.480 -0.000 0.000 0.316 879 M C 0.606 176.944 176.300 0.064 0.000 1.144 879 M CA 0.008 55.381 55.300 0.120 0.000 1.121 879 M CB 0.927 33.609 32.600 0.136 0.000 1.440 879 M HN -0.089 nan 8.290 nan 0.000 0.473 880 S N 2.195 117.914 115.700 0.032 0.000 2.411 880 S HA 0.407 4.877 4.470 -0.000 0.000 0.294 880 S C 0.216 174.827 174.600 0.018 0.000 1.115 880 S CA -0.417 57.788 58.200 0.009 0.000 1.071 880 S CB 0.290 63.481 63.200 -0.014 0.000 0.967 880 S HN 0.651 nan 8.310 nan 0.000 0.488 881 M N 2.385 121.994 119.600 0.015 0.000 2.504 881 M HA 0.327 4.807 4.480 -0.000 0.000 0.370 881 M C 0.515 176.823 176.300 0.015 0.000 1.110 881 M CA -0.202 55.108 55.300 0.015 0.000 0.938 881 M CB 0.978 33.584 32.600 0.011 0.000 1.460 881 M HN 0.816 nan 8.290 nan 0.000 0.535 882 G N -0.171 108.638 108.800 0.014 0.000 2.307 882 G HA2 0.287 4.247 3.960 -0.000 0.000 0.348 882 G HA3 0.287 4.247 3.960 -0.000 0.000 0.348 882 G C 0.095 175.016 174.900 0.035 0.000 1.603 882 G CA -0.498 44.617 45.100 0.025 0.000 0.961 882 G HN 0.097 nan 8.290 nan 0.000 0.686 883 A N 0.447 123.302 122.820 0.059 0.000 1.892 883 A HA 0.107 4.427 4.320 -0.000 0.000 0.218 883 A C 1.645 179.363 177.584 0.224 0.000 1.188 883 A CA 2.164 54.252 52.037 0.085 0.000 0.631 883 A CB -0.305 18.793 19.000 0.163 0.000 0.822 883 A HN 1.794 nan 8.150 nan 0.000 0.447 884 L N 2.283 123.676 121.223 0.284 0.000 2.334 884 L HA 0.293 4.633 4.340 -0.000 0.000 0.286 884 L C 0.903 177.841 176.870 0.112 0.000 1.108 884 L CA 0.313 55.304 54.840 0.252 0.000 0.875 884 L CB -0.427 41.675 42.059 0.072 0.000 1.246 884 L HN 0.432 nan 8.230 nan 0.000 0.439 885 T N 0.024 114.634 114.554 0.093 0.000 2.795 885 T HA 0.048 4.398 4.350 -0.000 0.000 0.314 885 T C 1.108 175.814 174.700 0.011 0.000 1.069 885 T CA 0.187 62.306 62.100 0.032 0.000 1.071 885 T CB 0.505 69.379 68.868 0.010 0.000 0.988 885 T HN 0.692 nan 8.240 nan 0.000 0.543 886 D N 1.224 121.611 120.400 -0.022 0.000 2.117 886 D HA -0.122 4.518 4.640 -0.000 0.000 0.198 886 D C 2.075 178.343 176.300 -0.052 0.000 0.982 886 D CA 1.108 55.090 54.000 -0.030 0.000 0.828 886 D CB -0.607 40.171 40.800 -0.037 0.000 0.967 886 D HN 0.567 nan 8.370 nan 0.000 0.464 887 L N 0.394 121.524 121.223 -0.155 0.000 2.141 887 L HA 0.066 4.406 4.340 -0.000 0.000 0.209 887 L C 2.674 179.404 176.870 -0.233 0.000 1.094 887 L CA 1.185 55.841 54.840 -0.307 0.000 0.763 887 L CB -0.681 40.822 42.059 -0.925 0.000 0.908 887 L HN 0.199 nan 8.230 nan 0.000 0.437 888 G N -0.923 107.849 108.800 -0.047 0.000 2.470 888 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.220 888 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.220 888 G C 1.425 176.382 174.900 0.095 0.000 1.121 888 G CA 0.366 45.523 45.100 0.094 0.000 0.766 888 G HN 0.417 nan 8.290 nan 0.000 0.553 889 Q N -0.201 119.641 119.800 0.069 0.000 2.179 889 Q HA 0.162 4.502 4.340 -0.000 0.000 0.213 889 Q C 0.219 176.284 176.000 0.107 0.000 0.833 889 Q CA -0.497 55.354 55.803 0.080 0.000 0.990 889 Q CB -0.039 28.724 28.738 0.041 0.000 1.132 889 Q HN 0.457 nan 8.270 nan 0.000 0.493 890 N N 0.042 118.843 118.700 0.169 0.000 2.497 890 N HA 0.019 4.759 4.740 -0.000 0.000 0.268 890 N C 0.913 176.543 175.510 0.199 0.000 1.171 890 N CA -0.012 53.157 53.050 0.198 0.000 0.948 890 N CB 0.640 39.319 38.487 0.320 0.000 1.069 890 N HN 0.248 nan 8.380 nan 0.000 0.460 891 L N 2.823 124.111 121.223 0.109 0.000 2.189 891 L HA -0.222 4.118 4.340 -0.000 0.000 0.214 891 L C 1.678 178.594 176.870 0.076 0.000 1.097 891 L CA 0.541 55.432 54.840 0.085 0.000 0.764 891 L CB -0.359 41.729 42.059 0.050 0.000 0.900 891 L HN 0.667 nan 8.230 nan 0.000 0.436 892 L N -1.301 119.937 121.223 0.026 0.000 2.042 892 L HA -0.243 4.097 4.340 -0.000 0.000 0.210 892 L C 2.330 179.126 176.870 -0.124 0.000 1.076 892 L CA 2.010 56.791 54.840 -0.099 0.000 0.749 892 L CB -0.805 41.080 42.059 -0.290 0.000 0.893 892 L HN 0.132 nan 8.230 nan 0.000 0.432 893 Y N -1.389 118.921 120.300 0.015 0.000 2.153 893 Y HA -0.099 4.451 4.550 -0.000 0.000 0.289 893 Y C 2.458 178.449 175.900 0.151 0.000 1.127 893 Y CA 1.069 59.206 58.100 0.060 0.000 1.131 893 Y CB -0.921 37.614 38.460 0.125 0.000 0.995 893 Y HN 0.119 nan 8.280 nan 0.000 0.505 894 A N 0.605 123.595 122.820 0.283 0.000 1.898 894 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 894 A C 1.919 179.585 177.584 0.136 0.000 1.181 894 A CA 1.928 54.077 52.037 0.185 0.000 0.620 894 A CB -0.713 18.370 19.000 0.138 0.000 0.819 894 A HN 0.438 nan 8.150 nan 0.000 0.442 895 N N 0.450 119.222 118.700 0.119 0.000 2.120 895 N HA -0.054 4.686 4.740 -0.000 0.000 0.188 895 N C 0.668 176.230 175.510 0.086 0.000 1.024 895 N CA 1.328 54.429 53.050 0.085 0.000 0.852 895 N CB -0.280 38.246 38.487 0.065 0.000 1.003 895 N HN 0.581 nan 8.380 nan 0.000 0.424 896 S N -1.017 114.762 115.700 0.132 0.000 2.536 896 S HA 0.792 5.262 4.470 -0.000 0.000 0.287 896 S C -0.505 174.201 174.600 0.177 0.000 1.101 896 S CA -1.101 57.157 58.200 0.097 0.000 0.950 896 S CB 2.600 65.812 63.200 0.020 0.000 1.056 896 S HN 0.285 nan 8.310 nan 0.000 0.481 897 A N 1.904 124.769 122.820 0.076 0.000 2.445 897 A HA 0.608 4.928 4.320 -0.000 0.000 0.242 897 A C -0.367 177.252 177.584 0.058 0.000 1.075 897 A CA 0.077 52.197 52.037 0.138 0.000 0.777 897 A CB -0.300 18.729 19.000 0.047 0.000 1.013 897 A HN 0.940 nan 8.150 nan 0.000 0.493 898 H N -0.949 118.313 119.070 0.320 0.000 2.895 898 H HA 0.651 5.207 4.556 -0.000 0.000 0.373 898 H C -0.013 175.578 175.328 0.439 0.000 1.174 898 H CA 0.420 56.659 56.048 0.320 0.000 1.144 898 H CB 1.960 31.875 29.762 0.256 0.000 1.793 898 H HN 0.944 nan 8.280 nan 0.000 0.551 899 A N 1.700 124.758 122.820 0.396 0.000 2.312 899 A HA 0.639 4.959 4.320 -0.000 0.000 0.328 899 A C -1.288 176.434 177.584 0.230 0.000 1.158 899 A CA -0.520 51.699 52.037 0.303 0.000 0.821 899 A CB 0.688 19.789 19.000 0.168 0.000 1.170 899 A HN 0.494 nan 8.150 nan 0.000 0.490 900 L N 1.210 122.529 121.223 0.160 0.000 2.365 900 L HA 0.681 5.021 4.340 -0.000 0.000 0.273 900 L C -1.506 175.342 176.870 -0.036 0.000 1.000 900 L CA -0.196 54.579 54.840 -0.109 0.000 0.819 900 L CB 2.092 44.025 42.059 -0.211 0.000 1.284 900 L HN 0.628 nan 8.230 nan 0.000 0.418 901 D N 5.465 125.788 120.400 -0.127 0.000 2.646 901 D HA 0.528 5.168 4.640 -0.000 0.000 0.245 901 D C -0.923 175.289 176.300 -0.147 0.000 1.099 901 D CA -0.072 53.883 54.000 -0.076 0.000 0.849 901 D CB 2.393 43.164 40.800 -0.049 0.000 1.448 901 D HN 0.520 nan 8.370 nan 0.000 0.489 902 M N 0.798 120.325 119.600 -0.122 0.000 2.457 902 M HA 0.328 4.808 4.480 -0.000 0.000 0.300 902 M C -1.102 175.089 176.300 -0.182 0.000 1.141 902 M CA -0.456 54.702 55.300 -0.237 0.000 0.901 902 M CB 2.687 35.157 32.600 -0.216 0.000 1.687 902 M HN 0.092 nan 8.290 nan 0.000 0.449 903 T N 3.179 117.546 114.554 -0.311 0.000 2.906 903 T HA 0.560 4.910 4.350 -0.000 0.000 0.302 903 T C -1.162 173.361 174.700 -0.296 0.000 1.002 903 T CA -0.360 61.634 62.100 -0.176 0.000 0.988 903 T CB 0.429 69.222 68.868 -0.125 0.000 0.972 903 T HN 0.265 nan 8.240 nan 0.000 0.447 904 F N 1.964 121.822 119.950 -0.154 0.000 2.421 904 F HA 0.531 5.058 4.527 -0.000 0.000 0.337 904 F C 0.772 176.520 175.800 -0.087 0.000 1.105 904 F CA -1.096 56.827 58.000 -0.128 0.000 1.049 904 F CB 1.366 40.310 39.000 -0.093 0.000 1.139 904 F HN 0.454 nan 8.300 nan 0.000 0.479 905 E N 3.007 123.259 120.200 0.087 0.000 2.176 905 E HA 0.651 5.001 4.350 -0.000 0.000 0.267 905 E C -1.502 175.101 176.600 0.006 0.000 0.893 905 E CA -0.742 55.670 56.400 0.020 0.000 0.761 905 E CB 1.619 31.306 29.700 -0.022 0.000 1.133 905 E HN 0.532 nan 8.360 nan 0.000 0.409 906 V N 0.565 120.443 119.914 -0.061 0.000 3.141 906 V HA 0.546 4.666 4.120 -0.000 0.000 0.312 906 V C -0.646 175.376 176.094 -0.119 0.000 1.157 906 V CA -1.115 61.091 62.300 -0.157 0.000 1.041 906 V CB 1.872 33.501 31.823 -0.324 0.000 1.071 906 V HN 0.575 nan 8.190 nan 0.000 0.441 907 D N 3.133 123.449 120.400 -0.139 0.000 2.389 907 D HA 0.386 5.026 4.640 -0.000 0.000 0.247 907 D C -2.369 173.879 176.300 -0.088 0.000 1.128 907 D CA -0.882 53.066 54.000 -0.088 0.000 0.884 907 D CB 1.149 41.900 40.800 -0.082 0.000 1.194 907 D HN 0.654 nan 8.370 nan 0.000 0.441 908 P HA 0.179 nan 4.420 nan 0.000 0.275 908 P C -0.658 176.625 177.300 -0.029 0.000 1.227 908 P CA -0.260 62.816 63.100 -0.040 0.000 0.781 908 P CB 0.930 32.619 31.700 -0.019 0.000 0.906 909 M N 2.013 121.596 119.600 -0.029 0.000 2.395 909 M HA 0.171 4.651 4.480 -0.000 0.000 0.307 909 M C 0.150 176.451 176.300 0.000 0.000 1.091 909 M CA -0.608 54.686 55.300 -0.010 0.000 0.919 909 M CB 1.997 34.582 32.600 -0.024 0.000 1.662 909 M HN 0.249 nan 8.290 nan 0.000 0.440 910 D N 0.827 121.237 120.400 0.017 0.000 2.494 910 D HA 0.011 4.651 4.640 -0.000 0.000 0.249 910 D C -0.298 176.009 176.300 0.011 0.000 1.223 910 D CA 0.063 54.073 54.000 0.017 0.000 0.865 910 D CB -0.151 40.667 40.800 0.029 0.000 0.974 910 D HN 0.637 nan 8.370 nan 0.000 0.491 911 E N -1.841 118.361 120.200 0.004 0.000 2.390 911 E HA 0.399 4.749 4.350 -0.000 0.000 0.280 911 E C -3.258 173.335 176.600 -0.010 0.000 0.992 911 E CA -2.456 53.943 56.400 -0.002 0.000 0.790 911 E CB 0.942 30.645 29.700 0.006 0.000 1.248 911 E HN -0.224 nan 8.360 nan 0.000 0.447 912 P HA 0.063 nan 4.420 nan 0.000 0.263 912 P C -0.639 176.650 177.300 -0.018 0.000 1.195 912 P CA 0.471 63.560 63.100 -0.018 0.000 0.762 912 P CB 0.704 32.390 31.700 -0.022 0.000 0.799 913 T N 0.921 115.463 114.554 -0.020 0.000 2.773 913 T HA 0.805 5.155 4.350 -0.000 0.000 0.278 913 T C -0.792 173.904 174.700 -0.006 0.000 1.011 913 T CA -0.902 61.187 62.100 -0.019 0.000 1.014 913 T CB 0.884 69.727 68.868 -0.042 0.000 1.293 913 T HN 0.111 nan 8.240 nan 0.000 0.554 914 L N 0.644 121.875 121.223 0.014 0.000 2.455 914 L HA 0.572 4.912 4.340 -0.000 0.000 0.264 914 L C -1.388 175.540 176.870 0.097 0.000 0.968 914 L CA -1.215 53.653 54.840 0.047 0.000 0.827 914 L CB 2.283 44.361 42.059 0.032 0.000 1.317 914 L HN 0.602 nan 8.230 nan 0.000 0.407 915 L N 3.079 124.373 121.223 0.119 0.000 2.260 915 L HA 0.306 4.646 4.340 -0.000 0.000 0.289 915 L C -0.982 176.059 176.870 0.285 0.000 1.057 915 L CA 0.299 55.218 54.840 0.130 0.000 0.811 915 L CB 0.408 42.434 42.059 -0.055 0.000 1.184 915 L HN 0.492 nan 8.230 nan 0.000 0.429 916 Y N 5.879 126.272 120.300 0.155 0.000 2.434 916 Y HA 0.591 5.141 4.550 -0.000 0.000 0.341 916 Y C -0.975 175.021 175.900 0.161 0.000 0.965 916 Y CA -1.137 57.072 58.100 0.183 0.000 1.205 916 Y CB 1.040 39.625 38.460 0.208 0.000 1.121 916 Y HN 0.387 nan 8.280 nan 0.000 0.507 917 V N 7.495 127.637 119.914 0.379 0.000 2.417 917 V HA 0.268 4.388 4.120 -0.000 0.000 0.291 917 V C -0.338 175.786 176.094 0.050 0.000 1.024 917 V CA -0.880 61.485 62.300 0.108 0.000 0.861 917 V CB 1.535 33.421 31.823 0.105 0.000 0.985 917 V HN 0.625 nan 8.190 nan 0.000 0.436 918 L N 5.234 126.358 121.223 -0.165 0.000 2.265 918 L HA 0.512 4.852 4.340 -0.000 0.000 0.289 918 L C -0.678 176.104 176.870 -0.146 0.000 1.033 918 L CA 0.021 54.793 54.840 -0.113 0.000 0.814 918 L CB 0.933 42.853 42.059 -0.231 0.000 1.203 918 L HN 0.520 nan 8.230 nan 0.000 0.423 919 F N 2.047 121.982 119.950 -0.024 0.000 2.368 919 F HA 0.234 4.761 4.527 -0.000 0.000 0.362 919 F C 1.119 176.848 175.800 -0.119 0.000 1.137 919 F CA -0.559 57.420 58.000 -0.035 0.000 1.161 919 F CB 0.595 39.389 39.000 -0.344 0.000 1.265 919 F HN 0.434 nan 8.300 nan 0.000 0.530 920 E N 3.517 123.650 120.200 -0.112 0.000 2.351 920 E HA 0.311 4.661 4.350 -0.000 0.000 0.266 920 E C 0.008 176.469 176.600 -0.231 0.000 1.031 920 E CA -0.149 56.094 56.400 -0.261 0.000 0.911 920 E CB 0.900 30.358 29.700 -0.403 0.000 0.986 920 E HN 0.504 nan 8.360 nan 0.000 0.446 921 V N 0.166 119.963 119.914 -0.196 0.000 3.109 921 V HA 0.582 4.702 4.120 -0.000 0.000 0.311 921 V C -1.200 174.702 176.094 -0.320 0.000 1.389 921 V CA -1.080 61.162 62.300 -0.098 0.000 1.034 921 V CB 1.068 32.956 31.823 0.108 0.000 1.105 921 V HN 0.414 nan 8.190 nan 0.000 0.477 922 F N 1.000 120.942 119.950 -0.013 0.000 2.426 922 F HA 0.690 5.217 4.527 -0.000 0.000 0.348 922 F C -0.296 175.490 175.800 -0.023 0.000 1.124 922 F CA -0.144 57.834 58.000 -0.037 0.000 1.008 922 F CB 1.520 40.512 39.000 -0.014 0.000 1.139 922 F HN 0.583 nan 8.300 nan 0.000 0.452 923 D N 4.074 124.490 120.400 0.027 0.000 2.462 923 D HA 0.458 5.098 4.640 -0.000 0.000 0.249 923 D C -1.019 175.267 176.300 -0.023 0.000 1.117 923 D CA 0.022 54.011 54.000 -0.018 0.000 0.900 923 D CB 1.034 41.705 40.800 -0.215 0.000 1.039 923 D HN 0.152 nan 8.370 nan 0.000 0.516 924 V N 1.907 121.924 119.914 0.172 0.000 3.019 924 V HA 0.724 4.844 4.120 -0.000 0.000 0.317 924 V C -0.060 176.185 176.094 0.252 0.000 1.094 924 V CA -0.868 61.561 62.300 0.216 0.000 1.000 924 V CB 2.350 34.263 31.823 0.151 0.000 1.060 924 V HN 0.231 nan 8.190 nan 0.000 0.443 925 V N 1.798 121.820 119.914 0.180 0.000 2.851 925 V HA 0.541 4.661 4.120 -0.000 0.000 0.307 925 V C -0.579 175.504 176.094 -0.019 0.000 1.129 925 V CA -0.735 61.527 62.300 -0.063 0.000 0.932 925 V CB 2.073 33.709 31.823 -0.311 0.000 1.024 925 V HN 0.872 nan 8.190 nan 0.000 0.426 926 R N 2.587 123.053 120.500 -0.056 0.000 2.437 926 R HA 0.790 5.130 4.340 -0.000 0.000 0.310 926 R C -1.617 174.685 176.300 0.003 0.000 0.955 926 R CA -0.381 55.703 56.100 -0.026 0.000 0.851 926 R CB 1.923 32.208 30.300 -0.026 0.000 1.161 926 R HN 0.581 nan 8.270 nan 0.000 0.446 927 V N 4.543 124.486 119.914 0.048 0.000 2.435 927 V HA 0.306 4.426 4.120 -0.000 0.000 0.290 927 V C -0.129 176.053 176.094 0.146 0.000 1.030 927 V CA -0.621 61.736 62.300 0.095 0.000 0.881 927 V CB 1.291 33.193 31.823 0.132 0.000 0.983 927 V HN 0.722 nan 8.190 nan 0.000 0.445 928 H N 5.488 124.579 119.070 0.034 0.000 2.489 928 H HA 0.559 5.115 4.556 -0.000 0.000 0.343 928 H C -0.554 174.806 175.328 0.053 0.000 1.086 928 H CA -0.933 55.136 56.048 0.035 0.000 1.198 928 H CB 1.380 31.163 29.762 0.034 0.000 1.490 928 H HN 0.535 nan 8.280 nan 0.000 0.504 929 R N 5.673 126.005 120.500 -0.280 0.000 2.681 929 R HA 0.148 4.488 4.340 -0.000 0.000 0.277 929 R C -2.037 174.061 176.300 -0.336 0.000 1.563 929 R CA -1.538 54.436 56.100 -0.210 0.000 1.673 929 R CB 1.230 31.506 30.300 -0.040 0.000 1.258 929 R HN 0.576 nan 8.270 nan 0.000 0.650 930 P HA -0.154 nan 4.420 nan 0.000 0.216 930 P C -0.202 176.889 177.300 -0.349 0.000 1.150 930 P CA 1.519 64.375 63.100 -0.406 0.000 0.843 930 P CB 0.462 32.031 31.700 -0.219 0.000 0.787 931 H N -3.242 115.780 119.070 -0.079 0.000 2.977 931 H HA 0.402 4.958 4.556 -0.000 0.000 0.350 931 H C -0.061 175.257 175.328 -0.017 0.000 1.238 931 H CA -0.964 55.064 56.048 -0.033 0.000 1.124 931 H CB 1.361 31.110 29.762 -0.021 0.000 1.866 931 H HN -0.217 nan 8.280 nan 0.000 0.550 932 R N 0.637 121.219 120.500 0.137 0.000 2.504 932 R HA 0.122 4.462 4.340 -0.000 0.000 0.291 932 R C 0.453 176.756 176.300 0.004 0.000 0.974 932 R CA 1.460 57.596 56.100 0.060 0.000 1.077 932 R CB -0.420 29.906 30.300 0.044 0.000 0.926 932 R HN 1.028 nan 8.270 nan 0.000 0.407 933 G N 2.474 111.228 108.800 -0.077 0.000 2.168 933 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.257 933 G C -0.342 174.508 174.900 -0.083 0.000 0.997 933 G CA 0.255 45.194 45.100 -0.269 0.000 0.708 933 G HN 0.510 nan 8.290 nan 0.000 0.520 934 V N 1.209 121.162 119.914 0.066 0.000 2.487 934 V HA 0.676 4.796 4.120 -0.000 0.000 0.298 934 V C 0.228 176.407 176.094 0.142 0.000 1.028 934 V CA -0.739 61.619 62.300 0.097 0.000 0.860 934 V CB 1.856 33.726 31.823 0.079 0.000 0.991 934 V HN 0.297 nan 8.190 nan 0.000 0.427 935 I N 4.398 125.065 120.570 0.161 0.000 2.439 935 I HA 0.518 4.688 4.170 -0.000 0.000 0.285 935 I C -0.417 175.777 176.117 0.129 0.000 1.021 935 I CA -0.437 60.948 61.300 0.142 0.000 1.091 935 I CB 1.989 40.082 38.000 0.155 0.000 1.242 935 I HN 0.601 nan 8.210 nan 0.000 0.439 936 E N 4.560 124.838 120.200 0.131 0.000 2.199 936 E HA 0.576 4.926 4.350 -0.000 0.000 0.269 936 E C -0.742 175.949 176.600 0.151 0.000 0.899 936 E CA -0.787 55.705 56.400 0.153 0.000 0.772 936 E CB 2.608 32.420 29.700 0.186 0.000 1.155 936 E HN 0.628 nan 8.360 nan 0.000 0.408 937 T N -1.638 113.003 114.554 0.145 0.000 2.893 937 T HA 0.605 4.955 4.350 -0.000 0.000 0.291 937 T C -0.577 174.195 174.700 0.121 0.000 1.028 937 T CA -0.792 61.367 62.100 0.099 0.000 0.995 937 T CB 1.369 70.284 68.868 0.080 0.000 1.051 937 T HN 0.147 nan 8.240 nan 0.000 0.470 938 V N 2.761 122.699 119.914 0.040 0.000 2.443 938 V HA 0.417 4.537 4.120 -0.000 0.000 0.293 938 V C -1.347 174.781 176.094 0.058 0.000 1.021 938 V CA -0.904 61.453 62.300 0.095 0.000 0.848 938 V CB 0.769 32.627 31.823 0.058 0.000 0.998 938 V HN 0.921 nan 8.190 nan 0.000 0.424 939 Y N 4.995 125.370 120.300 0.125 0.000 2.342 939 Y HA 0.752 5.302 4.550 -0.000 0.000 0.334 939 Y C -0.177 175.804 175.900 0.135 0.000 1.067 939 Y CA -0.684 57.513 58.100 0.161 0.000 1.128 939 Y CB 1.926 40.496 38.460 0.183 0.000 1.200 939 Y HN 0.531 nan 8.280 nan 0.000 0.464 940 L N 4.700 126.099 121.223 0.292 0.000 2.516 940 L HA 0.526 4.866 4.340 -0.000 0.000 0.267 940 L C -1.417 175.580 176.870 0.211 0.000 0.957 940 L CA -0.743 54.218 54.840 0.203 0.000 0.860 940 L CB 1.639 43.775 42.059 0.127 0.000 1.265 940 L HN 0.659 nan 8.230 nan 0.000 0.403 941 R N 3.345 123.959 120.500 0.189 0.000 2.435 941 R HA 0.747 5.087 4.340 -0.000 0.000 0.308 941 R C -1.509 174.889 176.300 0.164 0.000 0.975 941 R CA -0.007 56.204 56.100 0.184 0.000 0.867 941 R CB 1.315 31.724 30.300 0.183 0.000 1.171 941 R HN 0.825 nan 8.270 nan 0.000 0.470 942 T N 2.302 116.971 114.554 0.192 0.000 2.921 942 T HA 0.494 4.844 4.350 -0.000 0.000 0.297 942 T C -2.782 172.077 174.700 0.265 0.000 1.013 942 T CA -1.919 60.286 62.100 0.175 0.000 0.990 942 T CB 2.444 71.381 68.868 0.115 0.000 1.023 942 T HN 0.229 nan 8.240 nan 0.000 0.447 943 P HA 0.420 nan 4.420 nan 0.000 0.333 943 P C -0.186 177.238 177.300 0.206 0.000 1.343 943 P CA -0.580 62.597 63.100 0.128 0.000 0.761 943 P CB -0.113 31.600 31.700 0.022 0.000 1.701 944 F N -2.792 117.038 119.950 -0.200 0.000 2.943 944 F HA -0.200 4.327 4.527 -0.000 0.000 0.258 944 F C 0.730 176.491 175.800 -0.065 0.000 0.995 944 F CA 0.388 58.287 58.000 -0.169 0.000 0.896 944 F CB -2.591 36.317 39.000 -0.153 0.000 0.821 944 F HN -0.076 nan 8.300 nan 0.000 0.828 945 S N -0.112 115.610 115.700 0.036 0.000 2.585 945 S HA 0.604 5.074 4.470 -0.000 0.000 0.273 945 S C 1.090 175.721 174.600 0.051 0.000 1.339 945 S CA 0.033 58.269 58.200 0.061 0.000 1.028 945 S CB 1.364 64.584 63.200 0.032 0.000 0.906 945 S HN 0.504 nan 8.310 nan 0.000 0.528 946 A N 2.195 125.060 122.820 0.075 0.000 2.307 946 A HA 0.488 4.808 4.320 -0.000 0.000 0.218 946 A C 1.614 179.223 177.584 0.041 0.000 1.228 946 A CA 0.646 52.718 52.037 0.058 0.000 0.857 946 A CB -0.973 18.069 19.000 0.070 0.000 0.897 946 A HN 1.556 nan 8.150 nan 0.000 0.495 947 G N 0.106 108.930 108.800 0.039 0.000 2.417 947 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.233 947 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.233 947 G C 0.317 175.246 174.900 0.049 0.000 1.103 947 G CA 0.542 45.660 45.100 0.031 0.000 0.647 947 G HN 1.994 nan 8.290 nan 0.000 0.512 948 N N -1.849 116.889 118.700 0.063 0.000 4.189 948 N HA 0.330 5.070 4.740 -0.000 0.000 0.324 948 N C 0.261 175.809 175.510 0.063 0.000 2.163 948 N CA 1.746 54.847 53.050 0.085 0.000 2.977 948 N CB -0.644 37.908 38.487 0.109 0.000 0.306 948 N HN 2.523 nan 8.380 nan 0.000 0.759 949 A N -0.005 122.855 122.820 0.066 0.000 3.688 949 A HA -0.066 4.254 4.320 -0.000 0.000 0.224 949 A C 0.761 178.445 177.584 0.168 0.000 1.285 949 A CA 1.197 53.285 52.037 0.085 0.000 0.860 949 A CB -2.772 16.269 19.000 0.069 0.000 1.008 949 A HN 1.973 nan 8.150 nan 0.000 0.574 950 T N 0.000 114.639 114.554 0.142 0.000 3.816 950 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 950 T CA 0.000 62.195 62.100 0.159 0.000 1.349 950 T CB 0.000 68.931 68.868 0.106 0.000 0.612 950 T HN 0.000 nan 8.240 nan 0.000 0.658