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 1kek_1_A DATA FIRST_RESID 2 DATA SEQUENCE GKKMMTTDGN TATAHVAYAM SEVAAIYPIT PSSTMGEEAD DWAAQGRKNI DATA SEQUENCE FGQTLTIREM QSEAGAAGAV HGALAAGALT TTFTASQGLL LMIPNMYKIS DATA SEQUENCE GELLPGVFHV TARAIAAHAL SIFGDHQDIY AARQTGFAML ASSSVQEAHD DATA SEQUENCE MALVAHLAAI ESNVPFMHFF DGFRTSHEIQ KIEVLDYADM ASLVNQKALA DATA SEQUENCE EFRAKSMNPE HPHVRGTAQN PDIYFQGREA ANPYYLKVPG IVAEYMQKVA DATA SEQUENCE SLTGRSYKLF DYVGAPDAER VIVSMGSSCE TIEEVINHLA AKGEKIGLIK DATA SEQUENCE VRLYRPFVSE AFFAALPASA KVITVLDRTK EPGAPGDPLY LDVCSAFVER DATA SEQUENCE GEAMPKILAG RYGLGSKEFS PAMVKSVYDN MSGAKKNHFT VGIEDDVTGT DATA SEQUENCE SLPVDNAFAD TTPKGTIQCQ FWGLGADGTV GANKQAIKII GDNTDLFAQG DATA SEQUENCE YFSYDSKKSG GITISHLRFG EKPIQSTYLV NRADYVACHN PAYVGIYDIL DATA SEQUENCE EGIKDGGTFV LNSPWSSLED MDKHLPSGIK RTIANKKLKF YNIDAVKIAT DATA SEQUENCE DVGLGGRINM IMQTAFFKLA GVLPFEKAVD LLKKSIHKAY GKKGEKIVKM DATA SEQUENCE NTDAVDQAVT SLQEFKYPDS WKDAPAETKA EPMTNEFFKN VVKPILTQQG DATA SEQUENCE DKLPVSAFEA DGRFPLGTSQ FEKRGVAINV PQWVPENCIQ CNQCAFVCPH DATA SEQUENCE SAILPVLAKE EELVGAPANF TALEAKGKEL KGYKFRIQIN TLDCMGCGNC DATA SEQUENCE ADICPPKEKA LVMQPLDTQR DAQVPNLEYA ARIPVKSEVL PRDSLKGSQF DATA SEQUENCE QEPLMEFSGA CSGCGETPYV RVITQLFGER MFIANATGCS SIWGASAPSM DATA SEQUENCE PYKTNRLGQG PAWGNSLFED AAEYGFGMNM SMFARRTHLA DLAAKALESD DATA SEQUENCE ASGDVKEALQ GWLAGKNDPI KSKEYGDKLK KLLAGQKDGL LGQIAAMSDL DATA SEQUENCE YTKKSVWIFG GDGWAYDIGY GGLDHVLASG EDVNVFVMDT EVYSNTGGQS DATA SEQUENCE SKATPTGAVA KFAAAGKRTG KKDLARMVMT YGYVYVATVS MGYSKQQFLK DATA SEQUENCE VLKEAESFPG PSLVIAYATC INQGLRKGMG KSQDVMNTAV KSGYWPLFRY DATA SEQUENCE DPRLAAQGKN PFQLDSKAPD GSVEEFLMAQ NRFAVLDRSF PEDAKRLRAQ DATA SEQUENCE VAHELDVRFK ELEHMAATNI FESFAPAGGK ADGSVDFGEG AEFcTRDDTP DATA SEQUENCE MMARPDSGEA cDQNRAGTSE QQGDLSKRTK K 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 2 G C 0.000 174.915 174.900 0.025 0.000 0.946 2 G CA 0.000 45.111 45.100 0.018 0.000 0.502 3 K N 0.137 120.541 120.400 0.007 0.000 2.164 3 K HA 0.695 5.014 4.320 -0.001 0.000 0.258 3 K C -0.539 176.041 176.600 -0.033 0.000 0.951 3 K CA -0.823 55.459 56.287 -0.009 0.000 0.844 3 K CB 2.658 35.151 32.500 -0.012 0.000 1.099 3 K HN 0.490 nan 8.250 nan 0.000 0.435 4 K N 2.870 123.233 120.400 -0.062 0.000 2.422 4 K HA 0.341 4.660 4.320 -0.001 0.000 0.251 4 K C -0.831 175.707 176.600 -0.104 0.000 0.933 4 K CA -0.765 55.475 56.287 -0.078 0.000 0.798 4 K CB 1.215 33.666 32.500 -0.083 0.000 1.238 4 K HN 0.455 nan 8.250 nan 0.000 0.428 5 M N 3.332 122.880 119.600 -0.087 0.000 2.288 5 M HA 0.438 4.917 4.480 -0.001 0.000 0.334 5 M C -0.299 175.945 176.300 -0.092 0.000 1.150 5 M CA -0.115 55.132 55.300 -0.088 0.000 1.118 5 M CB 0.906 33.462 32.600 -0.073 0.000 1.501 5 M HN 0.827 nan 8.290 nan 0.000 0.462 6 M N 1.415 120.964 119.600 -0.086 0.000 2.333 6 M HA 0.237 4.716 4.480 -0.001 0.000 0.286 6 M C -1.148 175.128 176.300 -0.041 0.000 1.113 6 M CA -0.337 54.918 55.300 -0.076 0.000 0.959 6 M CB 2.146 34.671 32.600 -0.125 0.000 1.776 6 M HN 0.817 nan 8.290 nan 0.000 0.492 7 T N 1.207 115.754 114.554 -0.012 0.000 2.738 7 T HA 0.801 5.151 4.350 -0.001 0.000 0.298 7 T C -0.343 174.368 174.700 0.018 0.000 0.962 7 T CA -0.149 61.960 62.100 0.016 0.000 0.972 7 T CB 0.519 69.413 68.868 0.043 0.000 0.928 7 T HN 0.748 nan 8.240 nan 0.000 0.474 8 T N 0.774 115.339 114.554 0.019 0.000 2.754 8 T HA 0.654 5.003 4.350 -0.001 0.000 0.296 8 T C -1.150 173.569 174.700 0.032 0.000 1.205 8 T CA -1.002 61.113 62.100 0.025 0.000 1.009 8 T CB 1.438 70.320 68.868 0.023 0.000 1.368 8 T HN 0.692 nan 8.240 nan 0.000 0.509 9 D N -0.891 119.524 120.400 0.025 0.000 2.487 9 D HA 0.512 5.151 4.640 -0.001 0.000 0.262 9 D C 1.540 177.839 176.300 -0.000 0.000 1.130 9 D CA -0.436 53.581 54.000 0.029 0.000 1.038 9 D CB 0.193 40.997 40.800 0.008 0.000 1.142 9 D HN 0.732 nan 8.370 nan 0.000 0.575 10 G N -0.712 108.087 108.800 -0.002 0.000 2.422 10 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.218 10 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.218 10 G C 1.241 176.017 174.900 -0.207 0.000 1.140 10 G CA 0.427 45.428 45.100 -0.165 0.000 0.775 10 G HN 0.618 nan 8.290 nan 0.000 0.545 11 N N -0.243 118.475 118.700 0.031 0.000 2.069 11 N HA -0.148 4.591 4.740 -0.001 0.000 0.191 11 N C 2.362 177.882 175.510 0.016 0.000 1.031 11 N CA 1.701 54.807 53.050 0.093 0.000 0.852 11 N CB -0.146 38.331 38.487 -0.016 0.000 1.018 11 N HN 0.347 nan 8.380 nan 0.000 0.423 12 T N -0.567 113.991 114.554 0.006 0.000 2.985 12 T HA 0.106 4.456 4.350 -0.001 0.000 0.266 12 T C 1.796 176.606 174.700 0.184 0.000 1.076 12 T CA 0.944 63.103 62.100 0.098 0.000 1.135 12 T CB -0.167 68.773 68.868 0.120 0.000 0.890 12 T HN 0.220 nan 8.240 nan 0.000 0.480 13 A N 0.819 123.694 122.820 0.091 0.000 1.933 13 A HA -0.021 4.298 4.320 -0.001 0.000 0.218 13 A C 2.652 180.339 177.584 0.171 0.000 1.175 13 A CA 2.366 54.473 52.037 0.116 0.000 0.628 13 A CB -1.387 17.634 19.000 0.036 0.000 0.814 13 A HN 0.642 nan 8.150 nan 0.000 0.444 14 T N -1.891 112.706 114.554 0.071 0.000 2.978 14 T HA 0.225 4.574 4.350 -0.001 0.000 0.262 14 T C 1.906 176.677 174.700 0.118 0.000 1.063 14 T CA 1.482 63.626 62.100 0.073 0.000 1.140 14 T CB -0.364 68.580 68.868 0.127 0.000 0.886 14 T HN 0.475 nan 8.240 nan 0.000 0.470 15 A N 1.160 124.083 122.820 0.172 0.000 1.969 15 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 15 A C 2.282 180.198 177.584 0.554 0.000 1.169 15 A CA 1.669 53.849 52.037 0.239 0.000 0.635 15 A CB -1.277 17.712 19.000 -0.018 0.000 0.810 15 A HN 0.807 nan 8.150 nan 0.000 0.445 16 H N 0.028 119.381 119.070 0.472 0.000 2.319 16 H HA -0.138 4.417 4.556 -0.001 0.000 0.297 16 H C 1.911 177.397 175.328 0.263 0.000 1.097 16 H CA 2.346 58.611 56.048 0.363 0.000 1.285 16 H CB 0.014 29.926 29.762 0.250 0.000 1.368 16 H HN 0.263 nan 8.280 nan 0.000 0.495 17 V N 1.006 121.014 119.914 0.157 0.000 2.407 17 V HA -0.137 3.983 4.120 -0.001 0.000 0.245 17 V C 3.074 179.046 176.094 -0.203 0.000 1.041 17 V CA 1.282 63.513 62.300 -0.115 0.000 1.040 17 V CB -1.059 30.677 31.823 -0.144 0.000 0.671 17 V HN 0.568 nan 8.190 nan 0.000 0.455 18 A N -0.875 121.939 122.820 -0.010 0.000 1.933 18 A HA -0.279 4.041 4.320 -0.001 0.000 0.218 18 A C 2.154 179.794 177.584 0.093 0.000 1.175 18 A CA 2.079 54.164 52.037 0.079 0.000 0.628 18 A CB -0.792 18.440 19.000 0.387 0.000 0.814 18 A HN 0.640 nan 8.150 nan 0.000 0.444 19 Y N 0.456 120.833 120.300 0.129 0.000 2.145 19 Y HA -0.118 4.431 4.550 -0.001 0.000 0.286 19 Y C 2.684 178.518 175.900 -0.110 0.000 1.145 19 Y CA 1.470 59.666 58.100 0.161 0.000 1.148 19 Y CB -0.362 38.358 38.460 0.433 0.000 0.981 19 Y HN 0.328 nan 8.280 nan 0.000 0.507 20 A N -0.003 122.622 122.820 -0.324 0.000 1.883 20 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 20 A C 1.952 179.228 177.584 -0.514 0.000 1.186 20 A CA 2.027 53.545 52.037 -0.865 0.000 0.624 20 A CB -0.544 17.485 19.000 -1.618 0.000 0.822 20 A HN 0.481 nan 8.150 nan 0.000 0.444 21 M N 0.187 119.495 119.600 -0.487 0.000 2.561 21 M HA 0.199 4.679 4.480 -0.001 0.000 0.238 21 M C -0.098 176.110 176.300 -0.152 0.000 1.131 21 M CA 0.321 55.372 55.300 -0.415 0.000 1.046 21 M CB -0.764 31.360 32.600 -0.794 0.000 1.532 21 M HN 0.197 nan 8.290 nan 0.000 0.497 22 S N -0.380 115.271 115.700 -0.082 0.000 2.600 22 S HA 0.414 4.883 4.470 -0.001 0.000 0.300 22 S C 0.676 175.305 174.600 0.049 0.000 1.087 22 S CA -0.732 57.497 58.200 0.049 0.000 0.965 22 S CB 2.521 65.762 63.200 0.067 0.000 1.089 22 S HN 0.222 nan 8.310 nan 0.000 0.496 23 E N 0.032 120.270 120.200 0.062 0.000 2.340 23 E HA 0.211 4.560 4.350 -0.001 0.000 0.198 23 E C -0.382 176.215 176.600 -0.005 0.000 0.961 23 E CA 0.353 56.762 56.400 0.015 0.000 0.905 23 E CB 0.556 30.227 29.700 -0.047 0.000 0.884 23 E HN 0.255 nan 8.360 nan 0.000 0.491 24 V N 0.614 120.538 119.914 0.016 0.000 2.876 24 V HA 0.703 4.823 4.120 -0.001 0.000 0.312 24 V C -1.109 174.999 176.094 0.024 0.000 1.085 24 V CA -0.981 61.331 62.300 0.019 0.000 0.945 24 V CB 1.894 33.733 31.823 0.027 0.000 1.017 24 V HN 0.110 nan 8.190 nan 0.000 0.428 25 A N 2.644 125.480 122.820 0.026 0.000 2.402 25 A HA 0.905 5.224 4.320 -0.001 0.000 0.291 25 A C -0.438 177.145 177.584 -0.001 0.000 1.051 25 A CA -0.207 51.837 52.037 0.012 0.000 0.716 25 A CB 1.503 20.555 19.000 0.085 0.000 1.223 25 A HN 1.444 nan 8.150 nan 0.000 0.425 26 A N 2.526 125.321 122.820 -0.042 0.000 2.260 26 A HA 0.756 5.075 4.320 -0.001 0.000 0.314 26 A C -0.605 176.937 177.584 -0.071 0.000 1.257 26 A CA -0.172 51.837 52.037 -0.047 0.000 0.871 26 A CB 0.070 19.047 19.000 -0.038 0.000 1.166 26 A HN 0.794 nan 8.150 nan 0.000 0.522 27 I N 1.310 121.835 120.570 -0.074 0.000 2.846 27 I HA 0.644 4.813 4.170 -0.001 0.000 0.307 27 I C -1.093 174.988 176.117 -0.059 0.000 1.053 27 I CA -0.447 60.804 61.300 -0.082 0.000 1.050 27 I CB 2.175 40.058 38.000 -0.194 0.000 1.239 27 I HN 0.634 nan 8.210 nan 0.000 0.439 28 Y N 5.796 125.990 120.300 -0.177 0.000 2.480 28 Y HA 0.480 5.030 4.550 -0.001 0.000 0.329 28 Y C -2.658 173.159 175.900 -0.139 0.000 1.127 28 Y CA -1.825 56.169 58.100 -0.176 0.000 1.037 28 Y CB 1.977 40.374 38.460 -0.106 0.000 1.320 28 Y HN 0.322 nan 8.280 nan 0.000 0.446 29 P HA 0.435 nan 4.420 nan 0.000 0.282 29 P C -1.033 176.111 177.300 -0.259 0.000 1.262 29 P CA 0.140 63.006 63.100 -0.392 0.000 0.773 29 P CB 1.736 33.123 31.700 -0.520 0.000 0.879 30 I N 1.590 122.092 120.570 -0.114 0.000 2.680 30 I HA 0.185 4.355 4.170 -0.001 0.000 0.291 30 I C -0.655 175.410 176.117 -0.087 0.000 1.244 30 I CA -0.369 60.883 61.300 -0.080 0.000 1.042 30 I CB 2.206 40.207 38.000 0.001 0.000 1.277 30 I HN 0.124 nan 8.210 nan 0.000 0.423 31 T N 8.825 123.316 114.554 -0.106 0.000 2.916 31 T HA 0.241 4.591 4.350 -0.001 0.000 0.303 31 T C -2.115 172.497 174.700 -0.147 0.000 1.025 31 T CA -0.554 61.473 62.100 -0.122 0.000 1.142 31 T CB 0.668 69.477 68.868 -0.100 0.000 0.947 31 T HN 0.484 nan 8.240 nan 0.000 0.544 32 P HA 0.178 nan 4.420 nan 0.000 0.266 32 P C 0.800 178.027 177.300 -0.121 0.000 1.561 32 P CA -0.184 62.704 63.100 -0.353 0.000 1.089 32 P CB 0.083 31.156 31.700 -1.044 0.000 1.534 33 S N -2.018 113.630 115.700 -0.086 0.000 2.524 33 S HA 0.021 4.490 4.470 -0.001 0.000 0.216 33 S C 1.729 176.305 174.600 -0.040 0.000 0.987 33 S CA 0.333 58.515 58.200 -0.030 0.000 0.909 33 S CB -0.885 62.316 63.200 0.002 0.000 0.781 33 S HN -0.021 nan 8.310 nan 0.000 0.521 34 S N 2.224 117.890 115.700 -0.057 0.000 2.392 34 S HA -0.153 4.316 4.470 -0.001 0.000 0.232 34 S C 1.885 176.423 174.600 -0.104 0.000 1.041 34 S CA 2.027 60.191 58.200 -0.059 0.000 1.026 34 S CB -1.124 62.032 63.200 -0.073 0.000 0.845 34 S HN 0.746 nan 8.310 nan 0.000 0.465 35 T N 2.546 117.013 114.554 -0.145 0.000 2.699 35 T HA -0.100 4.249 4.350 -0.001 0.000 0.268 35 T C 1.778 176.300 174.700 -0.296 0.000 1.036 35 T CA 1.494 63.466 62.100 -0.214 0.000 1.147 35 T CB -0.376 68.351 68.868 -0.235 0.000 0.862 35 T HN 0.407 nan 8.240 nan 0.000 0.446 36 M N 0.700 120.093 119.600 -0.346 0.000 2.086 36 M HA -0.004 4.476 4.480 -0.001 0.000 0.261 36 M C 2.831 178.636 176.300 -0.824 0.000 1.067 36 M CA 1.782 56.685 55.300 -0.662 0.000 1.116 36 M CB -0.804 31.234 32.600 -0.936 0.000 1.348 36 M HN 0.374 nan 8.290 nan 0.000 0.407 37 G N 0.041 108.524 108.800 -0.528 0.000 2.418 37 G HA2 -0.185 3.774 3.960 -0.001 0.000 0.217 37 G HA3 -0.185 3.774 3.960 -0.001 0.000 0.217 37 G C 1.371 176.322 174.900 0.085 0.000 1.158 37 G CA 0.720 45.788 45.100 -0.054 0.000 0.771 37 G HN 0.486 nan 8.290 nan 0.000 0.545 38 E N 0.251 120.397 120.200 -0.089 0.000 2.072 38 E HA -0.087 4.262 4.350 -0.001 0.000 0.191 38 E C 2.485 178.842 176.600 -0.406 0.000 0.985 38 E CA 0.840 57.044 56.400 -0.327 0.000 0.801 38 E CB -0.023 29.470 29.700 -0.345 0.000 0.750 38 E HN 0.484 nan 8.360 nan 0.000 0.452 39 E N 0.483 120.359 120.200 -0.540 0.000 2.077 39 E HA -0.182 4.167 4.350 -0.001 0.000 0.193 39 E C 2.159 178.075 176.600 -1.140 0.000 0.989 39 E CA 0.894 56.703 56.400 -0.985 0.000 0.800 39 E CB -0.128 28.858 29.700 -1.188 0.000 0.746 39 E HN 0.202 nan 8.360 nan 0.000 0.452 40 A N 1.659 124.112 122.820 -0.612 0.000 1.908 40 A HA -0.259 4.060 4.320 -0.001 0.000 0.218 40 A C 1.907 179.566 177.584 0.124 0.000 1.181 40 A CA 2.088 54.105 52.037 -0.033 0.000 0.627 40 A CB -0.605 18.550 19.000 0.258 0.000 0.818 40 A HN 0.199 nan 8.150 nan 0.000 0.445 41 D N -0.537 119.896 120.400 0.055 0.000 2.117 41 D HA -0.131 4.508 4.640 -0.001 0.000 0.198 41 D C 1.328 177.638 176.300 0.018 0.000 0.982 41 D CA 1.375 55.440 54.000 0.110 0.000 0.828 41 D CB -0.066 40.784 40.800 0.084 0.000 0.967 41 D HN 0.370 nan 8.370 nan 0.000 0.464 42 D N -0.400 119.918 120.400 -0.137 0.000 2.097 42 D HA -0.157 4.482 4.640 -0.001 0.000 0.195 42 D C 1.878 178.238 176.300 0.099 0.000 0.989 42 D CA 0.729 54.684 54.000 -0.075 0.000 0.827 42 D CB -0.411 40.305 40.800 -0.138 0.000 0.966 42 D HN 0.440 nan 8.370 nan 0.000 0.456 43 W N 1.449 122.711 121.300 -0.064 0.000 2.358 43 W HA 0.061 4.720 4.660 -0.001 0.000 0.303 43 W C 2.564 179.035 176.519 -0.080 0.000 1.208 43 W CA 0.523 57.759 57.345 -0.181 0.000 1.274 43 W CB -1.361 27.816 29.460 -0.472 0.000 1.138 43 W HN -0.034 nan 8.180 nan 0.000 0.515 44 A N 0.448 123.475 122.820 0.346 0.000 1.933 44 A HA 0.014 4.333 4.320 -0.001 0.000 0.218 44 A C 2.247 179.966 177.584 0.224 0.000 1.175 44 A CA 2.603 54.873 52.037 0.389 0.000 0.628 44 A CB -0.969 18.279 19.000 0.415 0.000 0.814 44 A HN 0.134 nan 8.150 nan 0.000 0.444 45 A N -1.010 121.909 122.820 0.166 0.000 1.970 45 A HA -0.082 4.238 4.320 -0.001 0.000 0.216 45 A C 2.023 179.676 177.584 0.115 0.000 1.170 45 A CA 1.280 53.387 52.037 0.116 0.000 0.645 45 A CB -0.387 18.663 19.000 0.084 0.000 0.816 45 A HN 0.621 nan 8.150 nan 0.000 0.447 46 Q N -1.627 118.247 119.800 0.122 0.000 2.297 46 Q HA 0.140 4.479 4.340 -0.001 0.000 0.204 46 Q C 1.181 177.227 176.000 0.077 0.000 0.962 46 Q CA 0.719 56.580 55.803 0.098 0.000 0.879 46 Q CB -0.006 28.792 28.738 0.100 0.000 0.947 46 Q HN 0.883 nan 8.270 nan 0.000 0.462 47 G N 1.108 109.965 108.800 0.096 0.000 2.154 47 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.186 47 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.186 47 G C -0.067 174.881 174.900 0.080 0.000 1.000 47 G CA -0.178 44.975 45.100 0.088 0.000 0.664 47 G HN 0.201 nan 8.290 nan 0.000 0.513 48 R N 0.785 121.319 120.500 0.056 0.000 2.570 48 R HA 0.443 4.783 4.340 -0.001 0.000 0.277 48 R C 0.125 176.572 176.300 0.246 0.000 1.039 48 R CA 0.340 56.441 56.100 0.002 0.000 1.065 48 R CB 0.390 30.518 30.300 -0.285 0.000 0.964 48 R HN 0.000 nan 8.270 nan 0.000 0.428 49 K N 2.925 123.475 120.400 0.250 0.000 2.123 49 K HA 0.204 4.523 4.320 -0.001 0.000 0.259 49 K C -0.182 176.704 176.600 0.476 0.000 0.960 49 K CA -0.909 55.576 56.287 0.330 0.000 0.872 49 K CB 1.215 33.827 32.500 0.186 0.000 1.079 49 K HN 0.726 nan 8.250 nan 0.000 0.440 50 N N 1.022 119.928 118.700 0.343 0.000 2.381 50 N HA 0.076 4.816 4.740 -0.001 0.000 0.289 50 N C 1.214 176.744 175.510 0.034 0.000 1.288 50 N CA -0.328 52.815 53.050 0.156 0.000 0.960 50 N CB -0.110 38.375 38.487 -0.002 0.000 1.116 50 N HN 0.636 nan 8.380 nan 0.000 0.557 51 I N -4.698 115.725 120.570 -0.246 0.000 2.916 51 I HA 0.079 4.248 4.170 -0.001 0.000 0.267 51 I C 0.412 176.257 176.117 -0.453 0.000 1.263 51 I CA 1.031 62.100 61.300 -0.385 0.000 1.471 51 I CB -0.553 37.084 38.000 -0.605 0.000 1.089 51 I HN 0.178 nan 8.210 nan 0.000 0.468 52 F N 2.128 122.086 119.950 0.012 0.000 2.693 52 F HA 0.433 4.959 4.527 -0.001 0.000 0.303 52 F C 1.865 177.688 175.800 0.039 0.000 1.097 52 F CA 0.389 58.402 58.000 0.022 0.000 1.330 52 F CB 0.350 39.358 39.000 0.013 0.000 1.067 52 F HN 0.273 nan 8.300 nan 0.000 0.565 53 G N 0.314 109.207 108.800 0.154 0.000 2.160 53 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.251 53 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.251 53 G C 0.061 175.051 174.900 0.149 0.000 1.008 53 G CA -0.179 45.002 45.100 0.136 0.000 0.724 53 G HN 0.261 nan 8.290 nan 0.000 0.514 54 Q N 0.184 120.092 119.800 0.181 0.000 2.297 54 Q HA 0.629 4.968 4.340 -0.001 0.000 0.268 54 Q C 0.597 176.697 176.000 0.167 0.000 1.045 54 Q CA 0.125 56.020 55.803 0.152 0.000 0.861 54 Q CB 1.498 30.317 28.738 0.135 0.000 1.344 54 Q HN 0.566 nan 8.270 nan 0.000 0.452 55 T N -1.452 113.195 114.554 0.155 0.000 2.897 55 T HA 0.376 4.726 4.350 -0.001 0.000 0.294 55 T C 0.356 175.120 174.700 0.106 0.000 1.004 55 T CA -0.805 61.419 62.100 0.208 0.000 1.106 55 T CB 0.515 69.501 68.868 0.197 0.000 0.949 55 T HN 0.388 nan 8.240 nan 0.000 0.520 56 L N 2.964 124.192 121.223 0.009 0.000 2.490 56 L HA 0.260 4.599 4.340 -0.001 0.000 0.274 56 L C 0.446 177.334 176.870 0.031 0.000 1.201 56 L CA 0.708 55.469 54.840 -0.132 0.000 0.869 56 L CB 0.322 42.159 42.059 -0.370 0.000 1.123 56 L HN 0.864 nan 8.230 nan 0.000 0.484 57 T N 7.181 121.746 114.554 0.018 0.000 2.727 57 T HA 0.516 4.865 4.350 -0.001 0.000 0.298 57 T C -0.020 174.711 174.700 0.052 0.000 0.942 57 T CA 0.044 62.170 62.100 0.042 0.000 0.997 57 T CB -0.334 68.549 68.868 0.025 0.000 0.917 57 T HN 0.398 nan 8.240 nan 0.000 0.487 58 I N 3.750 124.367 120.570 0.078 0.000 2.569 58 I HA 0.620 4.790 4.170 -0.001 0.000 0.296 58 I C -0.030 176.117 176.117 0.050 0.000 1.028 58 I CA -1.157 60.192 61.300 0.080 0.000 1.082 58 I CB 1.609 39.696 38.000 0.146 0.000 1.264 58 I HN 0.197 nan 8.210 nan 0.000 0.429 59 R N 3.596 124.100 120.500 0.006 0.000 2.673 59 R HA 0.380 4.719 4.340 -0.001 0.000 0.281 59 R C -1.063 175.187 176.300 -0.085 0.000 0.991 59 R CA -0.851 55.239 56.100 -0.016 0.000 0.896 59 R CB 2.289 32.589 30.300 0.001 0.000 1.201 59 R HN 0.655 nan 8.270 nan 0.000 0.457 60 E N 3.345 123.475 120.200 -0.116 0.000 2.227 60 E HA 0.272 4.621 4.350 -0.001 0.000 0.282 60 E C -0.213 176.385 176.600 -0.003 0.000 1.015 60 E CA -0.451 55.845 56.400 -0.173 0.000 0.823 60 E CB 0.797 30.354 29.700 -0.238 0.000 1.081 60 E HN 0.211 nan 8.360 nan 0.000 0.396 61 M N 2.353 121.996 119.600 0.072 0.000 2.686 61 M HA 0.061 4.541 4.480 -0.001 0.000 0.262 61 M C 1.033 177.448 176.300 0.191 0.000 1.139 61 M CA -0.329 55.024 55.300 0.089 0.000 0.928 61 M CB 0.482 33.097 32.600 0.024 0.000 1.482 61 M HN 0.596 nan 8.290 nan 0.000 0.545 62 Q N 0.658 120.508 119.800 0.083 0.000 2.398 62 Q HA 0.078 4.417 4.340 -0.001 0.000 0.204 62 Q C -0.058 175.830 176.000 -0.187 0.000 0.932 62 Q CA 0.631 56.494 55.803 0.099 0.000 0.916 62 Q CB 0.194 28.959 28.738 0.044 0.000 1.024 62 Q HN 0.735 nan 8.270 nan 0.000 0.504 63 S N -1.358 114.032 115.700 -0.517 0.000 2.703 63 S HA 0.364 4.833 4.470 -0.001 0.000 0.273 63 S C -0.189 174.005 174.600 -0.676 0.000 1.178 63 S CA -0.509 57.085 58.200 -1.011 0.000 0.838 63 S CB 0.716 63.643 63.200 -0.456 0.000 1.178 63 S HN -0.049 nan 8.310 nan 0.000 0.494 64 E N 0.566 120.477 120.200 -0.482 0.000 2.285 64 E HA 0.253 4.603 4.350 -0.001 0.000 0.194 64 E C 1.984 178.500 176.600 -0.140 0.000 0.997 64 E CA 1.095 57.375 56.400 -0.199 0.000 0.845 64 E CB -0.374 29.265 29.700 -0.102 0.000 0.782 64 E HN 0.665 nan 8.360 nan 0.000 0.491 65 A N 0.526 123.262 122.820 -0.140 0.000 1.898 65 A HA -0.030 4.289 4.320 -0.001 0.000 0.216 65 A C 2.372 179.922 177.584 -0.056 0.000 1.181 65 A CA 1.571 53.564 52.037 -0.073 0.000 0.620 65 A CB -1.024 17.939 19.000 -0.062 0.000 0.819 65 A HN 0.356 nan 8.150 nan 0.000 0.442 66 G N -0.590 108.159 108.800 -0.086 0.000 2.408 66 G HA2 0.073 4.032 3.960 -0.001 0.000 0.217 66 G HA3 0.073 4.032 3.960 -0.001 0.000 0.217 66 G C 1.713 176.590 174.900 -0.039 0.000 1.150 66 G CA 1.297 46.365 45.100 -0.052 0.000 0.776 66 G HN 0.735 nan 8.290 nan 0.000 0.542 67 A N 1.331 124.112 122.820 -0.064 0.000 1.877 67 A HA 0.243 4.562 4.320 -0.001 0.000 0.216 67 A C 2.813 180.367 177.584 -0.051 0.000 1.186 67 A CA 2.333 54.335 52.037 -0.058 0.000 0.620 67 A CB -0.851 18.102 19.000 -0.079 0.000 0.822 67 A HN 0.768 nan 8.150 nan 0.000 0.443 68 A N -0.645 122.147 122.820 -0.047 0.000 1.930 68 A HA 0.161 4.480 4.320 -0.001 0.000 0.217 68 A C 2.366 180.024 177.584 0.123 0.000 1.175 68 A CA 1.830 53.888 52.037 0.035 0.000 0.627 68 A CB -1.265 17.776 19.000 0.067 0.000 0.815 68 A HN 0.718 nan 8.150 nan 0.000 0.443 69 G N -0.503 108.349 108.800 0.088 0.000 2.402 69 G HA2 0.039 3.998 3.960 -0.001 0.000 0.216 69 G HA3 0.039 3.998 3.960 -0.001 0.000 0.216 69 G C 1.721 176.675 174.900 0.090 0.000 1.162 69 G CA 1.308 46.476 45.100 0.114 0.000 0.777 69 G HN 0.745 nan 8.290 nan 0.000 0.539 70 A N 0.167 123.017 122.820 0.050 0.000 1.898 70 A HA 0.098 4.417 4.320 -0.001 0.000 0.216 70 A C 2.600 180.222 177.584 0.064 0.000 1.181 70 A CA 1.731 53.788 52.037 0.033 0.000 0.620 70 A CB -0.657 18.350 19.000 0.011 0.000 0.819 70 A HN 0.235 nan 8.150 nan 0.000 0.442 71 V N -0.259 119.706 119.914 0.086 0.000 2.287 71 V HA -0.328 3.791 4.120 -0.001 0.000 0.248 71 V C 2.451 178.677 176.094 0.220 0.000 1.053 71 V CA 2.355 64.733 62.300 0.130 0.000 1.027 71 V CB -1.039 30.866 31.823 0.136 0.000 0.646 71 V HN 0.842 nan 8.190 nan 0.000 0.447 72 H N -0.063 119.080 119.070 0.121 0.000 2.319 72 H HA -0.164 4.391 4.556 -0.001 0.000 0.299 72 H C 2.253 177.634 175.328 0.088 0.000 1.092 72 H CA 1.437 57.557 56.048 0.119 0.000 1.302 72 H CB -0.146 29.684 29.762 0.114 0.000 1.373 72 H HN 0.467 nan 8.280 nan 0.000 0.497 73 G N -0.154 108.649 108.800 0.006 0.000 2.403 73 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.216 73 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.216 73 G C 1.864 176.760 174.900 -0.006 0.000 1.154 73 G CA 0.585 45.627 45.100 -0.097 0.000 0.784 73 G HN 0.549 nan 8.290 nan 0.000 0.538 74 A N 0.576 123.423 122.820 0.044 0.000 1.933 74 A HA 0.105 4.424 4.320 -0.001 0.000 0.218 74 A C 2.410 180.065 177.584 0.118 0.000 1.175 74 A CA 1.177 53.250 52.037 0.060 0.000 0.628 74 A CB -0.365 18.672 19.000 0.062 0.000 0.814 74 A HN 0.352 nan 8.150 nan 0.000 0.444 75 L N -0.849 120.482 121.223 0.180 0.000 2.056 75 L HA -0.155 4.184 4.340 -0.001 0.000 0.207 75 L C 3.054 180.085 176.870 0.268 0.000 1.078 75 L CA 1.047 56.060 54.840 0.290 0.000 0.749 75 L CB -0.472 41.744 42.059 0.262 0.000 0.901 75 L HN 0.410 nan 8.230 nan 0.000 0.433 76 A N -0.164 122.760 122.820 0.173 0.000 2.019 76 A HA -0.058 4.261 4.320 -0.001 0.000 0.219 76 A C 2.141 179.738 177.584 0.022 0.000 1.164 76 A CA 1.561 53.664 52.037 0.109 0.000 0.644 76 A CB -0.516 18.492 19.000 0.013 0.000 0.805 76 A HN 0.385 nan 8.150 nan 0.000 0.449 77 A N -1.722 121.094 122.820 -0.007 0.000 2.415 77 A HA 0.462 4.782 4.320 -0.001 0.000 0.248 77 A C 1.472 178.989 177.584 -0.112 0.000 1.299 77 A CA 0.888 52.888 52.037 -0.061 0.000 0.899 77 A CB -0.959 18.009 19.000 -0.054 0.000 0.997 77 A HN 1.826 nan 8.150 nan 0.000 0.506 78 G N -1.855 106.834 108.800 -0.185 0.000 2.137 78 G HA2 0.144 4.104 3.960 -0.001 0.000 0.237 78 G HA3 0.144 4.104 3.960 -0.001 0.000 0.237 78 G C 0.235 175.029 174.900 -0.177 0.000 1.002 78 G CA 0.229 45.034 45.100 -0.491 0.000 0.702 78 G HN 1.648 nan 8.290 nan 0.000 0.515 79 A N -0.071 122.824 122.820 0.125 0.000 2.337 79 A HA 0.825 5.144 4.320 -0.001 0.000 0.329 79 A C 0.388 178.161 177.584 0.315 0.000 1.146 79 A CA -0.697 51.442 52.037 0.170 0.000 0.800 79 A CB 0.912 19.948 19.000 0.058 0.000 1.220 79 A HN 0.790 nan 8.150 nan 0.000 0.472 80 L N 2.331 123.683 121.223 0.216 0.000 2.418 80 L HA 0.295 4.634 4.340 -0.001 0.000 0.274 80 L C 0.143 177.072 176.870 0.098 0.000 1.135 80 L CA 0.298 55.204 54.840 0.110 0.000 0.870 80 L CB 0.333 42.459 42.059 0.112 0.000 1.154 80 L HN 0.746 nan 8.230 nan 0.000 0.462 81 T N 1.130 115.737 114.554 0.087 0.000 2.907 81 T HA 0.725 5.074 4.350 -0.001 0.000 0.292 81 T C -0.116 174.634 174.700 0.082 0.000 1.043 81 T CA -0.696 61.453 62.100 0.083 0.000 1.003 81 T CB 2.187 71.112 68.868 0.096 0.000 1.084 81 T HN 0.637 nan 8.240 nan 0.000 0.483 82 T N -0.877 113.696 114.554 0.032 0.000 2.812 82 T HA 0.845 5.194 4.350 -0.001 0.000 0.294 82 T C -0.702 173.838 174.700 -0.267 0.000 1.159 82 T CA -0.896 61.183 62.100 -0.035 0.000 1.008 82 T CB 2.079 70.908 68.868 -0.064 0.000 1.289 82 T HN 0.675 nan 8.240 nan 0.000 0.514 83 T N -0.184 114.074 114.554 -0.493 0.000 2.802 83 T HA 0.669 5.018 4.350 -0.001 0.000 0.311 83 T C -2.132 172.082 174.700 -0.810 0.000 1.405 83 T CA -0.742 60.943 62.100 -0.692 0.000 1.016 83 T CB 0.935 69.459 68.868 -0.574 0.000 1.352 83 T HN 0.505 nan 8.240 nan 0.000 0.498 84 F N 1.398 121.337 119.950 -0.019 0.000 2.529 84 F HA 0.748 5.274 4.527 -0.001 0.000 0.320 84 F C 0.646 176.420 175.800 -0.043 0.000 1.118 84 F CA -0.600 57.426 58.000 0.042 0.000 0.915 84 F CB 2.495 41.544 39.000 0.082 0.000 1.161 84 F HN 0.608 nan 8.300 nan 0.000 0.445 85 T N 1.090 115.702 114.554 0.097 0.000 2.653 85 T HA 0.887 5.236 4.350 -0.001 0.000 0.306 85 T C -1.888 172.801 174.700 -0.018 0.000 1.426 85 T CA -0.252 61.857 62.100 0.014 0.000 1.008 85 T CB 1.502 70.333 68.868 -0.061 0.000 1.692 85 T HN 1.138 nan 8.240 nan 0.000 0.483 86 A N 0.236 123.036 122.820 -0.034 0.000 2.567 86 A HA 0.782 5.101 4.320 -0.001 0.000 0.291 86 A C 0.509 178.067 177.584 -0.043 0.000 1.048 86 A CA 0.707 52.709 52.037 -0.057 0.000 0.661 86 A CB 0.477 19.436 19.000 -0.070 0.000 1.288 86 A HN 2.107 nan 8.150 nan 0.000 0.424 87 S N -0.689 114.980 115.700 -0.051 0.000 4.108 87 S HA -0.341 4.128 4.470 -0.001 0.000 0.550 87 S C 1.624 176.212 174.600 -0.020 0.000 1.916 87 S CA 2.294 60.474 58.200 -0.035 0.000 4.207 87 S CB -1.130 62.053 63.200 -0.028 0.000 0.522 87 S HN 1.293 nan 8.310 nan 0.000 0.534 88 Q N 1.017 120.816 119.800 -0.002 0.000 2.248 88 Q HA -0.062 4.277 4.340 -0.001 0.000 0.208 88 Q C 2.310 178.322 176.000 0.020 0.000 0.984 88 Q CA 2.034 57.847 55.803 0.017 0.000 0.875 88 Q CB -1.325 27.442 28.738 0.050 0.000 0.910 88 Q HN 0.804 nan 8.270 nan 0.000 0.433 89 G N 0.830 109.644 108.800 0.022 0.000 2.394 89 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.215 89 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.215 89 G C 1.477 176.364 174.900 -0.022 0.000 1.165 89 G CA 0.549 45.659 45.100 0.017 0.000 0.784 89 G HN 0.334 nan 8.290 nan 0.000 0.535 90 L N 0.746 121.950 121.223 -0.032 0.000 2.083 90 L HA 0.087 4.426 4.340 -0.001 0.000 0.209 90 L C 2.629 179.476 176.870 -0.039 0.000 1.083 90 L CA 1.293 56.107 54.840 -0.044 0.000 0.752 90 L CB -0.383 41.639 42.059 -0.061 0.000 0.899 90 L HN 0.185 nan 8.230 nan 0.000 0.433 91 L N -1.205 120.000 121.223 -0.031 0.000 2.079 91 L HA -0.240 4.100 4.340 -0.001 0.000 0.210 91 L C 2.405 179.269 176.870 -0.011 0.000 1.081 91 L CA 1.134 55.962 54.840 -0.020 0.000 0.752 91 L CB -0.621 41.432 42.059 -0.011 0.000 0.896 91 L HN 0.330 nan 8.230 nan 0.000 0.433 92 L N -0.961 120.253 121.223 -0.015 0.000 2.376 92 L HA -0.115 4.224 4.340 -0.001 0.000 0.219 92 L C 2.356 179.219 176.870 -0.011 0.000 1.133 92 L CA 0.767 55.596 54.840 -0.019 0.000 0.816 92 L CB -0.241 41.794 42.059 -0.040 0.000 0.933 92 L HN 0.381 nan 8.230 nan 0.000 0.449 93 M N -0.986 118.610 119.600 -0.007 0.000 2.541 93 M HA -0.033 4.446 4.480 -0.001 0.000 0.252 93 M C 2.101 178.426 176.300 0.041 0.000 1.125 93 M CA 0.839 56.158 55.300 0.031 0.000 1.091 93 M CB 0.028 32.669 32.600 0.070 0.000 1.420 93 M HN 0.187 nan 8.290 nan 0.000 0.486 94 I N 1.202 121.778 120.570 0.010 0.000 2.145 94 I HA -0.269 3.900 4.170 -0.001 0.000 0.244 94 I C -0.599 175.597 176.117 0.131 0.000 1.075 94 I CA 1.944 63.249 61.300 0.009 0.000 1.332 94 I CB -1.669 36.346 38.000 0.025 0.000 1.033 94 I HN 0.162 nan 8.210 nan 0.000 0.410 95 P HA -0.151 nan 4.420 nan 0.000 0.215 95 P C 1.209 178.610 177.300 0.168 0.000 1.157 95 P CA 1.496 64.699 63.100 0.172 0.000 0.868 95 P CB -0.134 31.613 31.700 0.079 0.000 0.788 96 N N -1.402 117.369 118.700 0.120 0.000 2.396 96 N HA 0.004 4.744 4.740 -0.001 0.000 0.180 96 N C 1.618 177.177 175.510 0.082 0.000 1.028 96 N CA 0.866 53.975 53.050 0.100 0.000 0.893 96 N CB -0.305 38.269 38.487 0.145 0.000 0.967 96 N HN 0.204 nan 8.380 nan 0.000 0.440 97 M N -0.734 118.902 119.600 0.059 0.000 2.117 97 M HA -0.167 4.312 4.480 -0.001 0.000 0.262 97 M C 1.587 177.933 176.300 0.077 0.000 1.065 97 M CA 1.408 56.687 55.300 -0.035 0.000 1.114 97 M CB -0.422 31.874 32.600 -0.507 0.000 1.361 97 M HN 0.109 nan 8.290 nan 0.000 0.408 98 Y N 0.558 120.867 120.300 0.015 0.000 2.207 98 Y HA -0.222 4.327 4.550 -0.001 0.000 0.287 98 Y C 2.519 178.417 175.900 -0.003 0.000 1.156 98 Y CA 1.200 59.314 58.100 0.022 0.000 1.182 98 Y CB -0.207 38.260 38.460 0.011 0.000 0.979 98 Y HN 0.087 nan 8.280 nan 0.000 0.521 99 K N 0.090 120.550 120.400 0.100 0.000 2.031 99 K HA -0.103 4.216 4.320 -0.001 0.000 0.205 99 K C 2.002 178.486 176.600 -0.194 0.000 1.049 99 K CA 1.284 57.525 56.287 -0.076 0.000 0.939 99 K CB -0.496 31.863 32.500 -0.236 0.000 0.717 99 K HN 0.369 nan 8.250 nan 0.000 0.438 100 I N 1.581 122.027 120.570 -0.208 0.000 2.208 100 I HA -0.305 3.864 4.170 -0.001 0.000 0.245 100 I C 2.590 178.630 176.117 -0.129 0.000 1.097 100 I CA 1.613 62.820 61.300 -0.155 0.000 1.363 100 I CB -0.368 37.628 38.000 -0.007 0.000 1.051 100 I HN 0.172 nan 8.210 nan 0.000 0.413 101 S N 0.584 116.243 115.700 -0.069 0.000 2.395 101 S HA -0.023 4.446 4.470 -0.001 0.000 0.225 101 S C 2.200 176.800 174.600 -0.000 0.000 1.027 101 S CA 0.723 58.871 58.200 -0.087 0.000 0.965 101 S CB -1.052 62.157 63.200 0.016 0.000 0.812 101 S HN 0.442 nan 8.310 nan 0.000 0.482 102 G N 1.406 110.229 108.800 0.038 0.000 2.442 102 G HA2 -0.131 3.828 3.960 -0.001 0.000 0.219 102 G HA3 -0.131 3.828 3.960 -0.001 0.000 0.219 102 G C 1.270 176.177 174.900 0.012 0.000 1.141 102 G CA 0.708 45.837 45.100 0.049 0.000 0.763 102 G HN 0.662 nan 8.290 nan 0.000 0.554 103 E N -0.158 120.041 120.200 -0.002 0.000 2.465 103 E HA 0.315 4.664 4.350 -0.001 0.000 0.191 103 E C 0.222 176.793 176.600 -0.048 0.000 1.053 103 E CA -0.468 55.937 56.400 0.009 0.000 0.869 103 E CB 0.025 29.781 29.700 0.093 0.000 0.977 103 E HN 0.283 nan 8.360 nan 0.000 0.483 104 L N 1.511 122.668 121.223 -0.110 0.000 3.823 104 L HA -0.238 4.102 4.340 -0.001 0.000 0.525 104 L C -0.728 176.063 176.870 -0.133 0.000 1.247 104 L CA 0.273 54.996 54.840 -0.195 0.000 0.776 104 L CB -1.308 40.544 42.059 -0.345 0.000 1.443 104 L HN 0.278 nan 8.230 nan 0.000 0.831 105 L N 2.682 123.833 121.223 -0.121 0.000 2.329 105 L HA 0.445 4.784 4.340 -0.001 0.000 0.279 105 L C -1.350 175.401 176.870 -0.198 0.000 1.014 105 L CA -1.699 53.104 54.840 -0.061 0.000 0.814 105 L CB 1.616 43.705 42.059 0.049 0.000 1.257 105 L HN -0.050 nan 8.230 nan 0.000 0.424 106 P HA 0.023 nan 4.420 nan 0.000 0.261 106 P C 0.350 177.478 177.300 -0.287 0.000 1.650 106 P CA 0.013 62.902 63.100 -0.351 0.000 0.846 106 P CB -0.184 31.181 31.700 -0.558 0.000 1.758 107 G N -0.144 108.513 108.800 -0.237 0.000 2.503 107 G HA2 0.389 4.348 3.960 -0.001 0.000 0.257 107 G HA3 0.389 4.348 3.960 -0.001 0.000 0.257 107 G C -0.743 174.061 174.900 -0.161 0.000 1.214 107 G CA -0.177 44.848 45.100 -0.125 0.000 0.839 107 G HN 0.117 nan 8.290 nan 0.000 0.559 108 V N 1.800 121.679 119.914 -0.058 0.000 2.482 108 V HA 0.363 4.482 4.120 -0.001 0.000 0.295 108 V C -0.649 175.490 176.094 0.074 0.000 1.026 108 V CA -0.590 61.612 62.300 -0.163 0.000 0.856 108 V CB 1.202 32.619 31.823 -0.677 0.000 1.001 108 V HN 0.649 nan 8.190 nan 0.000 0.424 109 F N 3.000 122.869 119.950 -0.136 0.000 2.408 109 F HA 0.510 5.036 4.527 -0.001 0.000 0.344 109 F C 0.417 176.062 175.800 -0.258 0.000 1.112 109 F CA -0.721 57.193 58.000 -0.143 0.000 1.096 109 F CB 1.322 40.308 39.000 -0.023 0.000 1.129 109 F HN 0.542 nan 8.300 nan 0.000 0.486 110 H N 1.901 121.126 119.070 0.258 0.000 2.581 110 H HA 0.408 4.963 4.556 -0.001 0.000 0.308 110 H C -0.650 174.785 175.328 0.178 0.000 1.040 110 H CA -0.602 55.646 56.048 0.334 0.000 1.231 110 H CB 1.777 31.880 29.762 0.569 0.000 1.396 110 H HN 0.388 nan 8.280 nan 0.000 0.467 111 V N 3.256 123.233 119.914 0.105 0.000 2.555 111 V HA 0.485 4.604 4.120 -0.001 0.000 0.302 111 V C 0.047 175.917 176.094 -0.373 0.000 1.038 111 V CA -0.643 61.619 62.300 -0.062 0.000 0.887 111 V CB 1.868 33.670 31.823 -0.035 0.000 0.991 111 V HN 0.882 nan 8.190 nan 0.000 0.434 112 T N 4.355 118.673 114.554 -0.393 0.000 2.747 112 T HA 0.709 5.058 4.350 -0.001 0.000 0.301 112 T C 0.268 174.821 174.700 -0.245 0.000 0.952 112 T CA 0.163 61.940 62.100 -0.540 0.000 0.983 112 T CB 0.614 69.266 68.868 -0.359 0.000 0.930 112 T HN 1.657 nan 8.240 nan 0.000 0.494 113 A N 4.432 127.157 122.820 -0.157 0.000 2.522 113 A HA 0.500 4.819 4.320 -0.001 0.000 0.256 113 A C 0.628 178.218 177.584 0.009 0.000 1.086 113 A CA -0.496 51.514 52.037 -0.046 0.000 0.763 113 A CB -0.016 19.013 19.000 0.048 0.000 1.024 113 A HN 0.997 nan 8.150 nan 0.000 0.502 114 R N 2.504 122.996 120.500 -0.014 0.000 2.725 114 R HA 0.629 4.968 4.340 -0.001 0.000 0.277 114 R C -0.168 176.136 176.300 0.006 0.000 0.987 114 R CA -0.264 55.845 56.100 0.015 0.000 0.901 114 R CB 1.544 31.837 30.300 -0.013 0.000 1.207 114 R HN 0.938 nan 8.270 nan 0.000 0.463 115 A N 4.022 126.860 122.820 0.029 0.000 2.507 115 A HA 0.213 4.532 4.320 -0.001 0.000 0.235 115 A C 0.182 177.766 177.584 0.001 0.000 1.070 115 A CA -0.000 52.048 52.037 0.018 0.000 0.768 115 A CB 0.097 19.120 19.000 0.039 0.000 1.011 115 A HN 0.524 nan 8.150 nan 0.000 0.502 116 I N 0.979 121.548 120.570 -0.002 0.000 2.428 116 I HA 0.370 4.539 4.170 -0.001 0.000 0.296 116 I C 0.951 177.057 176.117 -0.018 0.000 0.985 116 I CA -0.229 61.066 61.300 -0.009 0.000 1.260 116 I CB 1.072 39.069 38.000 -0.004 0.000 1.389 116 I HN 0.724 nan 8.210 nan 0.000 0.484 117 A N 4.577 127.380 122.820 -0.030 0.000 2.404 117 A HA 0.600 4.920 4.320 -0.001 0.000 0.273 117 A C 0.466 178.021 177.584 -0.048 0.000 1.144 117 A CA 0.470 52.472 52.037 -0.058 0.000 0.806 117 A CB 0.316 19.285 19.000 -0.052 0.000 1.080 117 A HN 0.992 nan 8.150 nan 0.000 0.509 118 A N 1.983 124.764 122.820 -0.064 0.000 1.758 118 A HA 0.325 4.644 4.320 -0.001 0.000 0.172 118 A C 1.570 179.171 177.584 0.028 0.000 1.924 118 A CA 0.557 52.601 52.037 0.011 0.000 1.449 118 A CB -0.459 18.589 19.000 0.080 0.000 1.075 118 A HN 1.003 nan 8.150 nan 0.000 0.777 119 H N 0.242 119.331 119.070 0.031 0.000 2.502 119 H HA 0.522 5.078 4.556 -0.001 0.000 0.283 119 H C 0.421 175.790 175.328 0.068 0.000 1.015 119 H CA 1.215 57.296 56.048 0.055 0.000 1.298 119 H CB -0.156 29.641 29.762 0.059 0.000 1.411 119 H HN 0.681 nan 8.280 nan 0.000 0.556 120 A N 0.823 123.259 122.820 -0.640 0.000 2.612 120 A HA 0.492 4.812 4.320 -0.001 0.000 0.293 120 A C -1.314 176.087 177.584 -0.305 0.000 1.075 120 A CA -0.829 50.948 52.037 -0.434 0.000 0.680 120 A CB 1.287 19.987 19.000 -0.501 0.000 1.279 120 A HN 0.265 nan 8.150 nan 0.000 0.411 121 L N 1.028 122.164 121.223 -0.146 0.000 2.375 121 L HA 0.773 5.112 4.340 -0.001 0.000 0.271 121 L C 0.146 176.980 176.870 -0.059 0.000 1.107 121 L CA 0.075 54.864 54.840 -0.085 0.000 0.806 121 L CB 1.506 43.541 42.059 -0.040 0.000 1.146 121 L HN 0.844 nan 8.230 nan 0.000 0.447 122 S N 3.794 119.480 115.700 -0.023 0.000 2.548 122 S HA 0.389 4.858 4.470 -0.001 0.000 0.276 122 S C 0.252 174.854 174.600 0.003 0.000 1.129 122 S CA -0.852 57.380 58.200 0.053 0.000 0.931 122 S CB 1.340 64.608 63.200 0.114 0.000 1.068 122 S HN 0.679 nan 8.310 nan 0.000 0.480 123 I N 0.979 121.484 120.570 -0.109 0.000 3.812 123 I HA 0.462 4.631 4.170 -0.001 0.000 0.320 123 I C -0.627 175.347 176.117 -0.238 0.000 1.276 123 I CA -0.263 60.901 61.300 -0.226 0.000 1.164 123 I CB -0.325 37.457 38.000 -0.364 0.000 1.009 123 I HN 0.274 nan 8.210 nan 0.000 0.431 124 F N 1.699 121.704 119.950 0.092 0.000 2.411 124 F HA 0.683 5.209 4.527 -0.001 0.000 0.324 124 F C 1.357 177.235 175.800 0.130 0.000 1.086 124 F CA -0.627 57.451 58.000 0.129 0.000 1.028 124 F CB 0.673 39.665 39.000 -0.012 0.000 1.284 124 F HN -0.116 nan 8.300 nan 0.000 0.501 125 G N 0.592 109.614 108.800 0.369 0.000 2.355 125 G HA2 0.498 4.457 3.960 -0.001 0.000 0.276 125 G HA3 0.498 4.457 3.960 -0.001 0.000 0.276 125 G C -1.461 173.493 174.900 0.090 0.000 1.198 125 G CA -0.161 45.068 45.100 0.215 0.000 0.876 125 G HN 0.699 nan 8.290 nan 0.000 0.478 126 D N -1.107 119.313 120.400 0.033 0.000 2.713 126 D HA 0.128 4.767 4.640 -0.001 0.000 0.306 126 D C -0.225 176.084 176.300 0.014 0.000 1.299 126 D CA -0.772 53.163 54.000 -0.108 0.000 0.823 126 D CB 0.369 41.078 40.800 -0.152 0.000 1.353 126 D HN 0.401 nan 8.370 nan 0.000 0.447 127 H N -0.769 118.211 119.070 -0.150 0.000 2.505 127 H HA 0.200 4.755 4.556 -0.001 0.000 0.289 127 H C 0.813 176.020 175.328 -0.202 0.000 1.052 127 H CA -0.137 55.734 56.048 -0.295 0.000 1.156 127 H CB 0.604 30.046 29.762 -0.534 0.000 1.507 127 H HN 0.278 nan 8.280 nan 0.000 0.548 128 Q N 0.983 120.805 119.800 0.036 0.000 2.135 128 Q HA -0.183 4.157 4.340 -0.001 0.000 0.204 128 Q C 1.567 177.564 176.000 -0.004 0.000 0.981 128 Q CA 1.780 57.614 55.803 0.050 0.000 0.856 128 Q CB 0.110 28.861 28.738 0.021 0.000 0.902 128 Q HN 0.681 nan 8.270 nan 0.000 0.425 129 D N 0.716 121.076 120.400 -0.066 0.000 2.110 129 D HA -0.165 4.474 4.640 -0.001 0.000 0.202 129 D C 1.913 178.105 176.300 -0.179 0.000 0.975 129 D CA 1.134 55.074 54.000 -0.100 0.000 0.839 129 D CB -0.674 40.068 40.800 -0.096 0.000 0.996 129 D HN 0.421 nan 8.370 nan 0.000 0.464 130 I N -1.677 118.690 120.570 -0.340 0.000 2.264 130 I HA -0.199 3.971 4.170 -0.001 0.000 0.248 130 I C 2.298 178.184 176.117 -0.384 0.000 1.111 130 I CA 1.128 62.105 61.300 -0.537 0.000 1.382 130 I CB -1.173 36.157 38.000 -1.118 0.000 1.060 130 I HN -0.073 nan 8.210 nan 0.000 0.418 131 Y N 1.157 121.297 120.300 -0.267 0.000 2.439 131 Y HA 0.081 4.630 4.550 -0.001 0.000 0.292 131 Y C 2.691 178.527 175.900 -0.106 0.000 1.130 131 Y CA 0.469 58.468 58.100 -0.169 0.000 1.254 131 Y CB -0.270 38.113 38.460 -0.129 0.000 1.000 131 Y HN 0.284 nan 8.280 nan 0.000 0.554 132 A N -0.065 122.775 122.820 0.033 0.000 2.121 132 A HA 0.035 4.354 4.320 -0.001 0.000 0.218 132 A C 2.006 179.567 177.584 -0.038 0.000 1.154 132 A CA 1.392 53.430 52.037 0.002 0.000 0.679 132 A CB -0.587 18.403 19.000 -0.016 0.000 0.795 132 A HN 0.329 nan 8.150 nan 0.000 0.458 133 A N -0.061 122.704 122.820 -0.092 0.000 2.465 133 A HA 0.237 4.556 4.320 -0.001 0.000 0.255 133 A C 1.724 179.218 177.584 -0.151 0.000 1.274 133 A CA 0.316 52.253 52.037 -0.168 0.000 0.920 133 A CB -0.352 18.495 19.000 -0.255 0.000 1.033 133 A HN 0.625 nan 8.150 nan 0.000 0.516 134 R N 0.236 120.714 120.500 -0.037 0.000 2.237 134 R HA -0.109 4.230 4.340 -0.001 0.000 0.219 134 R C 1.040 177.322 176.300 -0.030 0.000 1.080 134 R CA 1.382 57.505 56.100 0.038 0.000 0.995 134 R CB -0.165 30.269 30.300 0.223 0.000 0.875 134 R HN 0.512 nan 8.270 nan 0.000 0.462 135 Q N 1.242 120.994 119.800 -0.080 0.000 2.280 135 Q HA 0.022 4.361 4.340 -0.001 0.000 0.201 135 Q C 1.063 176.905 176.000 -0.264 0.000 0.890 135 Q CA 1.022 56.773 55.803 -0.087 0.000 0.947 135 Q CB 0.448 29.195 28.738 0.015 0.000 1.081 135 Q HN 0.407 nan 8.270 nan 0.000 0.502 136 T N -2.747 111.528 114.554 -0.466 0.000 3.035 136 T HA 0.186 4.535 4.350 -0.001 0.000 0.268 136 T C 1.453 175.952 174.700 -0.334 0.000 1.109 136 T CA 1.043 62.637 62.100 -0.844 0.000 1.119 136 T CB -0.164 68.273 68.868 -0.718 0.000 0.900 136 T HN 0.532 nan 8.240 nan 0.000 0.503 137 G N 0.379 109.108 108.800 -0.117 0.000 2.157 137 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.239 137 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.239 137 G C -0.161 174.837 174.900 0.165 0.000 0.982 137 G CA -0.323 44.794 45.100 0.029 0.000 0.650 137 G HN 0.483 nan 8.290 nan 0.000 0.527 138 F N 1.762 121.605 119.950 -0.178 0.000 2.418 138 F HA 0.635 5.161 4.527 -0.001 0.000 0.341 138 F C 1.155 176.806 175.800 -0.249 0.000 1.120 138 F CA -0.157 57.695 58.000 -0.247 0.000 1.232 138 F CB 1.015 39.819 39.000 -0.326 0.000 1.175 138 F HN 0.356 nan 8.300 nan 0.000 0.569 139 A N 4.920 127.512 122.820 -0.381 0.000 2.407 139 A HA 0.533 4.852 4.320 -0.001 0.000 0.248 139 A C -0.361 177.032 177.584 -0.318 0.000 1.082 139 A CA -0.266 51.410 52.037 -0.601 0.000 0.785 139 A CB 0.057 18.105 19.000 -1.587 0.000 1.020 139 A HN 0.761 nan 8.150 nan 0.000 0.489 140 M N 2.693 122.249 119.600 -0.073 0.000 2.106 140 M HA 0.385 4.864 4.480 -0.001 0.000 0.288 140 M C -1.178 175.302 176.300 0.299 0.000 0.941 140 M CA 0.195 55.627 55.300 0.219 0.000 0.934 140 M CB 1.576 34.379 32.600 0.339 0.000 1.551 140 M HN 0.570 nan 8.290 nan 0.000 0.437 141 L N 2.728 124.135 121.223 0.307 0.000 2.349 141 L HA 0.833 5.173 4.340 -0.001 0.000 0.278 141 L C -0.612 176.177 176.870 -0.134 0.000 0.996 141 L CA -0.485 54.447 54.840 0.152 0.000 0.825 141 L CB 1.724 43.937 42.059 0.256 0.000 1.243 141 L HN 0.837 nan 8.230 nan 0.000 0.412 142 A N 2.981 125.568 122.820 -0.389 0.000 2.301 142 A HA 0.704 5.023 4.320 -0.001 0.000 0.312 142 A C -0.157 177.252 177.584 -0.292 0.000 1.182 142 A CA -0.428 51.113 52.037 -0.827 0.000 0.826 142 A CB 1.099 19.629 19.000 -0.783 0.000 1.134 142 A HN 0.695 nan 8.150 nan 0.000 0.501 143 S N 0.856 116.455 115.700 -0.168 0.000 2.509 143 S HA 0.537 5.006 4.470 -0.001 0.000 0.297 143 S C 0.515 175.139 174.600 0.040 0.000 1.118 143 S CA 0.088 58.297 58.200 0.016 0.000 1.074 143 S CB 1.563 64.879 63.200 0.194 0.000 1.038 143 S HN 1.375 nan 8.310 nan 0.000 0.498 144 S N 0.250 115.989 115.700 0.065 0.000 2.578 144 S HA 0.407 4.877 4.470 -0.001 0.000 0.231 144 S C 0.374 175.050 174.600 0.127 0.000 0.994 144 S CA 0.134 58.403 58.200 0.115 0.000 0.956 144 S CB -0.643 62.627 63.200 0.117 0.000 0.870 144 S HN 1.319 nan 8.310 nan 0.000 0.494 145 S N -0.875 114.888 115.700 0.106 0.000 2.643 145 S HA 0.535 5.004 4.470 -0.001 0.000 0.270 145 S C 0.574 175.209 174.600 0.058 0.000 1.166 145 S CA -0.268 57.989 58.200 0.095 0.000 0.815 145 S CB 0.790 64.046 63.200 0.092 0.000 1.139 145 S HN 0.001 nan 8.310 nan 0.000 0.472 146 V N 1.219 121.163 119.914 0.050 0.000 2.343 146 V HA -0.158 3.962 4.120 -0.001 0.000 0.247 146 V C 2.899 179.006 176.094 0.021 0.000 1.051 146 V CA 2.589 64.894 62.300 0.009 0.000 1.036 146 V CB -1.077 30.764 31.823 0.029 0.000 0.654 146 V HN 0.953 nan 8.190 nan 0.000 0.451 147 Q N 0.686 120.522 119.800 0.059 0.000 2.050 147 Q HA -0.218 4.121 4.340 -0.001 0.000 0.202 147 Q C 2.108 178.185 176.000 0.128 0.000 0.980 147 Q CA 2.033 57.887 55.803 0.084 0.000 0.840 147 Q CB -0.411 28.391 28.738 0.107 0.000 0.898 147 Q HN 0.690 nan 8.270 nan 0.000 0.424 148 E N -0.567 119.702 120.200 0.115 0.000 2.204 148 E HA -0.181 4.169 4.350 -0.001 0.000 0.195 148 E C 1.782 178.385 176.600 0.006 0.000 0.990 148 E CA 0.743 57.179 56.400 0.060 0.000 0.821 148 E CB -0.184 29.531 29.700 0.025 0.000 0.750 148 E HN 0.499 nan 8.360 nan 0.000 0.477 149 A N 1.407 124.233 122.820 0.009 0.000 1.883 149 A HA -0.255 4.064 4.320 -0.001 0.000 0.217 149 A C 2.076 179.657 177.584 -0.006 0.000 1.186 149 A CA 1.759 53.785 52.037 -0.019 0.000 0.624 149 A CB -0.793 17.985 19.000 -0.369 0.000 0.822 149 A HN 0.393 nan 8.150 nan 0.000 0.444 150 H N 0.303 119.340 119.070 -0.055 0.000 2.267 150 H HA -0.160 4.396 4.556 -0.001 0.000 0.297 150 H C 1.437 176.746 175.328 -0.032 0.000 1.080 150 H CA 2.141 58.181 56.048 -0.014 0.000 1.278 150 H CB -0.289 29.477 29.762 0.007 0.000 1.365 150 H HN 0.399 nan 8.280 nan 0.000 0.489 151 D N 0.550 121.013 120.400 0.105 0.000 2.097 151 D HA -0.141 4.499 4.640 -0.001 0.000 0.195 151 D C 2.456 178.646 176.300 -0.184 0.000 0.989 151 D CA 0.954 54.972 54.000 0.030 0.000 0.827 151 D CB -0.213 40.711 40.800 0.206 0.000 0.966 151 D HN 0.348 nan 8.370 nan 0.000 0.456 152 M N 0.517 119.947 119.600 -0.283 0.000 2.229 152 M HA 0.029 4.509 4.480 -0.001 0.000 0.264 152 M C 2.250 178.247 176.300 -0.505 0.000 1.063 152 M CA 0.556 55.636 55.300 -0.367 0.000 1.114 152 M CB -1.064 31.358 32.600 -0.297 0.000 1.387 152 M HN -0.034 nan 8.290 nan 0.000 0.420 153 A N 0.303 122.727 122.820 -0.660 0.000 1.940 153 A HA -0.154 4.165 4.320 -0.001 0.000 0.219 153 A C 2.310 179.857 177.584 -0.062 0.000 1.176 153 A CA 1.278 53.096 52.037 -0.364 0.000 0.631 153 A CB -0.847 18.058 19.000 -0.158 0.000 0.814 153 A HN 0.477 nan 8.150 nan 0.000 0.446 154 L N -0.397 120.710 121.223 -0.193 0.000 2.072 154 L HA -0.098 4.241 4.340 -0.001 0.000 0.205 154 L C 2.432 179.192 176.870 -0.182 0.000 1.079 154 L CA 1.243 55.981 54.840 -0.171 0.000 0.752 154 L CB -0.242 41.683 42.059 -0.223 0.000 0.906 154 L HN 0.261 nan 8.230 nan 0.000 0.436 155 V N 0.353 120.152 119.914 -0.191 0.000 2.343 155 V HA -0.291 3.828 4.120 -0.001 0.000 0.247 155 V C 2.822 178.675 176.094 -0.402 0.000 1.051 155 V CA 1.654 63.824 62.300 -0.217 0.000 1.036 155 V CB -0.943 30.807 31.823 -0.122 0.000 0.654 155 V HN 0.569 nan 8.190 nan 0.000 0.451 156 A N -1.082 121.515 122.820 -0.371 0.000 1.883 156 A HA -0.266 4.054 4.320 -0.001 0.000 0.217 156 A C 2.144 179.310 177.584 -0.696 0.000 1.186 156 A CA 1.928 53.596 52.037 -0.614 0.000 0.624 156 A CB -0.803 18.068 19.000 -0.216 0.000 0.822 156 A HN 0.668 nan 8.150 nan 0.000 0.444 157 H N -0.442 118.404 119.070 -0.373 0.000 2.353 157 H HA -0.041 4.514 4.556 -0.001 0.000 0.300 157 H C 2.145 177.206 175.328 -0.445 0.000 1.090 157 H CA 1.748 57.602 56.048 -0.323 0.000 1.327 157 H CB -0.219 29.425 29.762 -0.195 0.000 1.383 157 H HN 0.413 nan 8.280 nan 0.000 0.508 158 L N 0.165 121.128 121.223 -0.433 0.000 2.017 158 L HA -0.146 4.194 4.340 -0.001 0.000 0.208 158 L C 2.968 179.333 176.870 -0.842 0.000 1.073 158 L CA 1.015 55.409 54.840 -0.743 0.000 0.745 158 L CB -0.480 40.891 42.059 -1.146 0.000 0.894 158 L HN 0.199 nan 8.230 nan 0.000 0.432 159 A N -0.046 122.290 122.820 -0.807 0.000 1.933 159 A HA -0.145 4.174 4.320 -0.001 0.000 0.218 159 A C 2.546 179.872 177.584 -0.431 0.000 1.175 159 A CA 1.624 53.339 52.037 -0.536 0.000 0.628 159 A CB -0.709 17.925 19.000 -0.609 0.000 0.814 159 A HN 0.398 nan 8.150 nan 0.000 0.444 160 A N 0.154 122.600 122.820 -0.624 0.000 1.883 160 A HA -0.149 4.170 4.320 -0.001 0.000 0.217 160 A C 2.109 179.557 177.584 -0.227 0.000 1.186 160 A CA 1.710 53.572 52.037 -0.292 0.000 0.624 160 A CB -0.675 18.138 19.000 -0.313 0.000 0.822 160 A HN 0.502 nan 8.150 nan 0.000 0.444 161 I N -0.813 119.601 120.570 -0.260 0.000 2.226 161 I HA -0.256 3.913 4.170 -0.001 0.000 0.245 161 I C 2.581 178.637 176.117 -0.102 0.000 1.100 161 I CA 1.925 63.102 61.300 -0.206 0.000 1.374 161 I CB -0.263 37.638 38.000 -0.165 0.000 1.057 161 I HN 0.548 nan 8.210 nan 0.000 0.413 162 E N 0.646 120.810 120.200 -0.059 0.000 2.076 162 E HA -0.186 4.163 4.350 -0.001 0.000 0.190 162 E C 2.180 178.817 176.600 0.061 0.000 0.979 162 E CA 1.419 57.851 56.400 0.053 0.000 0.807 162 E CB 0.083 29.895 29.700 0.187 0.000 0.761 162 E HN 0.484 nan 8.360 nan 0.000 0.454 163 S N -0.574 115.155 115.700 0.048 0.000 2.528 163 S HA 0.032 4.501 4.470 -0.001 0.000 0.219 163 S C 0.664 175.304 174.600 0.067 0.000 0.985 163 S CA 0.647 58.895 58.200 0.080 0.000 0.914 163 S CB -0.203 63.056 63.200 0.099 0.000 0.776 163 S HN 0.479 nan 8.310 nan 0.000 0.526 164 N N -0.583 118.107 118.700 -0.016 0.000 2.828 164 N HA -0.127 4.612 4.740 -0.001 0.000 0.248 164 N C -0.976 174.422 175.510 -0.188 0.000 1.044 164 N CA 0.784 53.776 53.050 -0.096 0.000 0.851 164 N CB -1.479 36.957 38.487 -0.086 0.000 1.136 164 N HN 0.359 nan 8.380 nan 0.000 0.572 165 V N 1.180 120.992 119.914 -0.170 0.000 2.427 165 V HA 0.452 4.571 4.120 -0.001 0.000 0.286 165 V C -1.811 174.122 176.094 -0.268 0.000 1.034 165 V CA -1.448 60.660 62.300 -0.321 0.000 0.893 165 V CB 1.578 33.130 31.823 -0.451 0.000 0.982 165 V HN -0.071 nan 8.190 nan 0.000 0.452 166 P HA 0.276 nan 4.420 nan 0.000 0.275 166 P C -1.201 175.685 177.300 -0.689 0.000 1.228 166 P CA -0.134 62.517 63.100 -0.748 0.000 0.786 166 P CB 0.659 31.463 31.700 -1.494 0.000 0.927 167 F N 1.270 120.885 119.950 -0.559 0.000 2.508 167 F HA 0.500 5.026 4.527 -0.001 0.000 0.325 167 F C 0.816 176.632 175.800 0.025 0.000 1.090 167 F CA -0.895 56.974 58.000 -0.218 0.000 0.945 167 F CB 1.915 40.812 39.000 -0.173 0.000 1.156 167 F HN 0.151 nan 8.300 nan 0.000 0.463 168 M N 4.592 124.378 119.600 0.311 0.000 2.044 168 M HA 0.298 4.777 4.480 -0.001 0.000 0.333 168 M C -1.475 175.048 176.300 0.371 0.000 1.004 168 M CA -0.646 54.832 55.300 0.298 0.000 0.954 168 M CB 0.414 33.113 32.600 0.164 0.000 1.468 168 M HN 0.722 nan 8.290 nan 0.000 0.414 169 H N 6.271 125.480 119.070 0.232 0.000 2.562 169 H HA 0.535 5.091 4.556 -0.001 0.000 0.314 169 H C -1.880 173.672 175.328 0.374 0.000 1.079 169 H CA -0.333 55.879 56.048 0.273 0.000 1.349 169 H CB 0.423 30.363 29.762 0.297 0.000 1.432 169 H HN 0.569 nan 8.280 nan 0.000 0.479 170 F N 4.405 124.247 119.950 -0.180 0.000 2.588 170 F HA 0.693 5.220 4.527 -0.001 0.000 0.314 170 F C -1.948 173.778 175.800 -0.123 0.000 1.069 170 F CA -1.462 56.369 58.000 -0.281 0.000 0.931 170 F CB 1.257 40.109 39.000 -0.247 0.000 1.260 170 F HN 0.391 nan 8.300 nan 0.000 0.465 171 F N -1.142 118.763 119.950 -0.074 0.000 2.645 171 F HA 0.538 5.064 4.527 -0.001 0.000 0.310 171 F C -1.223 174.664 175.800 0.144 0.000 1.102 171 F CA -1.444 56.545 58.000 -0.019 0.000 0.952 171 F CB 0.817 39.807 39.000 -0.016 0.000 1.326 171 F HN 0.326 nan 8.300 nan 0.000 0.456 172 D N 1.607 122.203 120.400 0.328 0.000 2.450 172 D HA 0.285 4.925 4.640 -0.001 0.000 0.247 172 D C 0.501 176.932 176.300 0.217 0.000 1.162 172 D CA 0.545 54.712 54.000 0.278 0.000 0.879 172 D CB 1.247 42.233 40.800 0.309 0.000 1.163 172 D HN 0.984 nan 8.370 nan 0.000 0.472 173 G N 1.688 110.565 108.800 0.128 0.000 2.272 173 G HA2 0.185 4.145 3.960 -0.001 0.000 0.247 173 G HA3 0.185 4.145 3.960 -0.001 0.000 0.247 173 G C 0.491 175.571 174.900 0.300 0.000 1.272 173 G CA -0.146 45.007 45.100 0.088 0.000 0.921 173 G HN 0.547 nan 8.290 nan 0.000 0.495 174 F N 0.222 120.265 119.950 0.155 0.000 2.565 174 F HA -0.347 4.179 4.527 -0.001 0.000 0.684 174 F C 2.348 178.427 175.800 0.465 0.000 0.487 174 F CA 2.283 60.411 58.000 0.214 0.000 0.725 174 F CB -1.007 38.128 39.000 0.226 0.000 1.613 174 F HN 0.541 nan 8.300 nan 0.000 0.264 175 R N 0.511 121.353 120.500 0.570 0.000 2.152 175 R HA -0.034 4.305 4.340 -0.001 0.000 0.232 175 R C 1.647 178.156 176.300 0.348 0.000 1.117 175 R CA 2.486 58.822 56.100 0.394 0.000 0.981 175 R CB -0.589 29.852 30.300 0.235 0.000 0.870 175 R HN 0.586 nan 8.270 nan 0.000 0.451 176 T N -1.729 113.056 114.554 0.384 0.000 3.085 176 T HA 0.015 4.365 4.350 -0.001 0.000 0.241 176 T C 1.565 176.508 174.700 0.405 0.000 0.988 176 T CA 0.580 62.894 62.100 0.357 0.000 1.117 176 T CB 0.008 69.104 68.868 0.380 0.000 0.978 176 T HN 0.391 nan 8.240 nan 0.000 0.454 177 S N 1.560 117.591 115.700 0.553 0.000 2.400 177 S HA -0.187 4.282 4.470 -0.001 0.000 0.232 177 S C 1.474 176.300 174.600 0.377 0.000 1.025 177 S CA 1.456 59.994 58.200 0.564 0.000 0.993 177 S CB -0.463 63.033 63.200 0.495 0.000 0.808 177 S HN 0.546 nan 8.310 nan 0.000 0.478 178 H N 0.504 119.687 119.070 0.188 0.000 2.755 178 H HA 0.481 5.036 4.556 -0.001 0.000 0.273 178 H C 0.144 175.619 175.328 0.245 0.000 1.055 178 H CA -0.395 55.758 56.048 0.175 0.000 1.191 178 H CB 0.127 30.007 29.762 0.196 0.000 1.536 178 H HN 0.608 nan 8.280 nan 0.000 0.529 179 E N 1.564 122.000 120.200 0.394 0.000 2.338 179 E HA 0.187 4.536 4.350 -0.001 0.000 0.272 179 E C -0.398 176.315 176.600 0.188 0.000 1.029 179 E CA -0.634 55.966 56.400 0.333 0.000 0.872 179 E CB 0.677 30.551 29.700 0.290 0.000 1.015 179 E HN 0.275 nan 8.360 nan 0.000 0.417 180 I N 2.779 123.437 120.570 0.147 0.000 2.392 180 I HA 0.286 4.455 4.170 -0.001 0.000 0.295 180 I C -1.072 175.081 176.117 0.059 0.000 0.985 180 I CA -0.083 61.278 61.300 0.101 0.000 1.221 180 I CB 1.385 39.458 38.000 0.122 0.000 1.366 180 I HN 0.432 nan 8.210 nan 0.000 0.467 181 Q N 5.125 124.958 119.800 0.053 0.000 2.416 181 Q HA 0.307 4.647 4.340 -0.001 0.000 0.281 181 Q C -1.383 174.651 176.000 0.056 0.000 1.067 181 Q CA -0.990 54.845 55.803 0.053 0.000 0.809 181 Q CB 2.502 31.278 28.738 0.064 0.000 1.418 181 Q HN 0.690 nan 8.270 nan 0.000 0.411 182 K N 3.272 123.719 120.400 0.079 0.000 2.316 182 K HA 0.394 4.713 4.320 -0.001 0.000 0.289 182 K C -0.314 176.326 176.600 0.067 0.000 1.070 182 K CA 0.093 56.413 56.287 0.056 0.000 0.928 182 K CB -0.039 32.484 32.500 0.039 0.000 1.039 182 K HN 0.616 nan 8.250 nan 0.000 0.480 183 I N -0.610 119.967 120.570 0.010 0.000 3.322 183 I HA 0.512 4.682 4.170 -0.001 0.000 0.313 183 I C -0.948 175.125 176.117 -0.074 0.000 1.129 183 I CA -1.048 60.250 61.300 -0.004 0.000 0.963 183 I CB 1.928 39.910 38.000 -0.030 0.000 1.273 183 I HN 0.460 nan 8.210 nan 0.000 0.473 184 E N 2.045 122.179 120.200 -0.109 0.000 2.195 184 E HA 0.588 4.938 4.350 -0.001 0.000 0.271 184 E C -1.541 174.829 176.600 -0.383 0.000 0.923 184 E CA -0.646 55.649 56.400 -0.175 0.000 0.790 184 E CB 2.416 32.055 29.700 -0.102 0.000 1.155 184 E HN 0.660 nan 8.360 nan 0.000 0.402 185 V N 1.548 121.218 119.914 -0.408 0.000 2.864 185 V HA 0.590 4.709 4.120 -0.001 0.000 0.314 185 V C -0.316 175.694 176.094 -0.141 0.000 1.073 185 V CA -1.012 60.922 62.300 -0.609 0.000 0.956 185 V CB 1.476 32.918 31.823 -0.635 0.000 1.023 185 V HN 0.643 nan 8.190 nan 0.000 0.435 186 L N 1.846 123.205 121.223 0.228 0.000 2.379 186 L HA 0.512 4.851 4.340 -0.001 0.000 0.269 186 L C 0.205 177.275 176.870 0.334 0.000 1.084 186 L CA -0.533 54.467 54.840 0.266 0.000 0.802 186 L CB 0.960 43.206 42.059 0.313 0.000 1.175 186 L HN 0.702 nan 8.230 nan 0.000 0.448 187 D N -0.126 120.386 120.400 0.186 0.000 2.368 187 D HA -0.031 4.608 4.640 -0.001 0.000 0.240 187 D C 0.693 177.140 176.300 0.245 0.000 1.169 187 D CA -0.005 54.081 54.000 0.143 0.000 0.906 187 D CB 0.575 41.409 40.800 0.057 0.000 1.187 187 D HN 0.290 nan 8.370 nan 0.000 0.435 188 Y N 0.660 120.931 120.300 -0.048 0.000 2.293 188 Y HA -0.089 4.461 4.550 -0.001 0.000 0.291 188 Y C 2.293 178.146 175.900 -0.079 0.000 1.137 188 Y CA 0.643 58.686 58.100 -0.094 0.000 1.202 188 Y CB -1.054 37.334 38.460 -0.120 0.000 0.990 188 Y HN 0.445 nan 8.280 nan 0.000 0.537 189 A N 0.017 122.901 122.820 0.107 0.000 1.933 189 A HA -0.193 4.126 4.320 -0.001 0.000 0.218 189 A C 1.937 179.535 177.584 0.023 0.000 1.175 189 A CA 2.000 54.060 52.037 0.038 0.000 0.628 189 A CB -0.680 18.335 19.000 0.025 0.000 0.814 189 A HN 0.322 nan 8.150 nan 0.000 0.444 190 D N -0.622 119.806 120.400 0.046 0.000 2.117 190 D HA -0.101 4.538 4.640 -0.001 0.000 0.198 190 D C 2.062 178.378 176.300 0.025 0.000 0.982 190 D CA 1.319 55.345 54.000 0.043 0.000 0.828 190 D CB -0.268 40.574 40.800 0.071 0.000 0.967 190 D HN 0.457 nan 8.370 nan 0.000 0.464 191 M N 0.142 119.750 119.600 0.014 0.000 2.117 191 M HA -0.120 4.359 4.480 -0.001 0.000 0.262 191 M C 2.274 178.518 176.300 -0.093 0.000 1.065 191 M CA 1.354 56.621 55.300 -0.054 0.000 1.114 191 M CB -0.202 32.323 32.600 -0.126 0.000 1.361 191 M HN 0.006 nan 8.290 nan 0.000 0.408 192 A N 0.492 123.249 122.820 -0.103 0.000 1.908 192 A HA -0.188 4.131 4.320 -0.001 0.000 0.218 192 A C 2.268 179.809 177.584 -0.071 0.000 1.181 192 A CA 2.230 54.185 52.037 -0.136 0.000 0.627 192 A CB -1.028 17.892 19.000 -0.135 0.000 0.818 192 A HN 0.602 nan 8.150 nan 0.000 0.445 193 S N -0.890 114.792 115.700 -0.029 0.000 2.442 193 S HA -0.069 4.400 4.470 -0.001 0.000 0.236 193 S C 1.460 176.072 174.600 0.021 0.000 1.007 193 S CA 1.430 59.630 58.200 -0.001 0.000 0.965 193 S CB -0.314 62.893 63.200 0.012 0.000 0.773 193 S HN 0.210 nan 8.310 nan 0.000 0.504 194 L N 1.521 122.761 121.223 0.028 0.000 2.509 194 L HA 0.389 4.728 4.340 -0.001 0.000 0.222 194 L C 0.667 177.604 176.870 0.112 0.000 1.123 194 L CA -0.001 54.895 54.840 0.094 0.000 0.856 194 L CB -0.855 41.270 42.059 0.109 0.000 0.985 194 L HN 0.190 nan 8.230 nan 0.000 0.456 195 V N 1.541 121.467 119.914 0.019 0.000 2.673 195 V HA -0.046 4.073 4.120 -0.001 0.000 0.303 195 V C 0.880 177.014 176.094 0.066 0.000 1.046 195 V CA -0.212 62.090 62.300 0.002 0.000 1.126 195 V CB 0.490 32.287 31.823 -0.043 0.000 0.934 195 V HN 0.363 nan 8.190 nan 0.000 0.487 196 N N 4.910 123.666 118.700 0.094 0.000 2.448 196 N HA 0.069 4.808 4.740 -0.001 0.000 0.250 196 N C 1.039 176.597 175.510 0.081 0.000 1.136 196 N CA -0.074 53.040 53.050 0.106 0.000 0.953 196 N CB 1.099 39.670 38.487 0.140 0.000 1.251 196 N HN 0.608 nan 8.380 nan 0.000 0.502 197 Q N 2.953 122.796 119.800 0.072 0.000 2.170 197 Q HA -0.159 4.180 4.340 -0.001 0.000 0.203 197 Q C 0.959 177.005 176.000 0.077 0.000 0.976 197 Q CA 1.509 57.358 55.803 0.077 0.000 0.858 197 Q CB 0.075 28.852 28.738 0.065 0.000 0.907 197 Q HN 0.603 nan 8.270 nan 0.000 0.433 198 K N 1.004 121.443 120.400 0.065 0.000 2.057 198 K HA -0.043 4.276 4.320 -0.001 0.000 0.206 198 K C 2.100 178.745 176.600 0.075 0.000 1.050 198 K CA 1.338 57.661 56.287 0.060 0.000 0.935 198 K CB -0.461 32.068 32.500 0.047 0.000 0.715 198 K HN 0.137 nan 8.250 nan 0.000 0.439 199 A N 1.204 124.072 122.820 0.081 0.000 1.972 199 A HA -0.096 4.223 4.320 -0.001 0.000 0.219 199 A C 2.149 179.809 177.584 0.127 0.000 1.169 199 A CA 1.133 53.226 52.037 0.093 0.000 0.635 199 A CB -0.541 18.507 19.000 0.079 0.000 0.810 199 A HN 0.239 nan 8.150 nan 0.000 0.446 200 L N -0.248 121.053 121.223 0.130 0.000 2.056 200 L HA -0.012 4.327 4.340 -0.001 0.000 0.207 200 L C 2.675 179.667 176.870 0.204 0.000 1.078 200 L CA 2.089 57.045 54.840 0.194 0.000 0.749 200 L CB -0.904 41.266 42.059 0.186 0.000 0.901 200 L HN 0.333 nan 8.230 nan 0.000 0.433 201 A N -0.712 122.185 122.820 0.128 0.000 1.908 201 A HA -0.246 4.073 4.320 -0.001 0.000 0.218 201 A C 2.160 179.784 177.584 0.066 0.000 1.181 201 A CA 1.942 54.027 52.037 0.081 0.000 0.627 201 A CB -0.654 18.378 19.000 0.054 0.000 0.818 201 A HN 0.613 nan 8.150 nan 0.000 0.445 202 E N -1.469 118.784 120.200 0.087 0.000 2.150 202 E HA -0.130 4.219 4.350 -0.001 0.000 0.193 202 E C 1.675 178.342 176.600 0.112 0.000 0.985 202 E CA 1.074 57.518 56.400 0.074 0.000 0.814 202 E CB -0.250 29.497 29.700 0.079 0.000 0.752 202 E HN 0.725 nan 8.360 nan 0.000 0.466 203 F N 1.924 121.881 119.950 0.012 0.000 2.102 203 F HA -0.141 4.385 4.527 -0.001 0.000 0.298 203 F C 2.095 177.903 175.800 0.013 0.000 1.105 203 F CA 1.509 59.514 58.000 0.008 0.000 1.239 203 F CB -0.066 38.940 39.000 0.009 0.000 0.991 203 F HN -0.238 nan 8.300 nan 0.000 0.474 204 R N 0.292 120.663 120.500 -0.215 0.000 2.081 204 R HA -0.083 4.256 4.340 -0.001 0.000 0.235 204 R C 2.494 178.689 176.300 -0.174 0.000 1.131 204 R CA 1.480 57.393 56.100 -0.312 0.000 0.960 204 R CB -0.922 29.303 30.300 -0.126 0.000 0.856 204 R HN 0.403 nan 8.270 nan 0.000 0.436 205 A N 1.688 124.451 122.820 -0.095 0.000 2.015 205 A HA -0.173 4.147 4.320 -0.001 0.000 0.219 205 A C 1.764 179.316 177.584 -0.054 0.000 1.163 205 A CA 1.515 53.496 52.037 -0.092 0.000 0.646 205 A CB -0.337 18.600 19.000 -0.105 0.000 0.806 205 A HN 0.417 nan 8.150 nan 0.000 0.448 206 K N -0.490 119.875 120.400 -0.059 0.000 2.426 206 K HA 0.195 4.514 4.320 -0.001 0.000 0.193 206 K C 0.285 176.863 176.600 -0.037 0.000 1.028 206 K CA 0.365 56.617 56.287 -0.057 0.000 1.047 206 K CB 0.020 32.483 32.500 -0.061 0.000 0.821 206 K HN 0.206 nan 8.250 nan 0.000 0.513 207 S N 1.472 117.139 115.700 -0.055 0.000 2.600 207 S HA 0.175 4.644 4.470 -0.001 0.000 0.265 207 S C 0.254 174.926 174.600 0.120 0.000 1.325 207 S CA -0.629 57.549 58.200 -0.036 0.000 1.002 207 S CB 0.470 63.522 63.200 -0.247 0.000 0.921 207 S HN 0.209 nan 8.310 nan 0.000 0.554 208 M N 3.057 122.717 119.600 0.100 0.000 2.260 208 M HA 0.058 4.537 4.480 -0.001 0.000 0.348 208 M C 0.297 176.510 176.300 -0.145 0.000 1.342 208 M CA 0.866 56.149 55.300 -0.028 0.000 1.040 208 M CB -0.172 32.362 32.600 -0.110 0.000 1.810 208 M HN 0.532 nan 8.290 nan 0.000 0.453 209 N N 4.345 122.888 118.700 -0.262 0.000 2.827 209 N HA 0.189 4.929 4.740 -0.001 0.000 0.248 209 N C -2.599 172.690 175.510 -0.368 0.000 1.074 209 N CA -0.901 51.925 53.050 -0.372 0.000 1.042 209 N CB 2.133 40.228 38.487 -0.654 0.000 1.684 209 N HN 0.209 nan 8.380 nan 0.000 0.542 210 P HA 0.011 nan 4.420 nan 0.000 0.230 210 P C 0.427 177.646 177.300 -0.134 0.000 1.158 210 P CA 1.015 64.020 63.100 -0.157 0.000 0.769 210 P CB 0.536 32.171 31.700 -0.109 0.000 0.807 211 E N -0.507 119.589 120.200 -0.173 0.000 2.435 211 E HA -0.050 4.299 4.350 -0.001 0.000 0.195 211 E C 0.437 177.056 176.600 0.033 0.000 1.029 211 E CA 0.380 56.754 56.400 -0.044 0.000 0.865 211 E CB -0.056 29.659 29.700 0.025 0.000 0.833 211 E HN 0.621 nan 8.360 nan 0.000 0.510 212 H N -1.301 117.770 119.070 0.002 0.000 2.696 212 H HA 0.265 4.820 4.556 -0.001 0.000 0.221 212 H C -2.963 172.395 175.328 0.049 0.000 1.399 212 H CA -1.823 54.236 56.048 0.018 0.000 1.408 212 H CB -0.148 29.622 29.762 0.014 0.000 1.853 212 H HN -0.063 nan 8.280 nan 0.000 0.546 213 P HA 0.203 nan 4.420 nan 0.000 0.276 213 P C -0.154 177.209 177.300 0.105 0.000 1.252 213 P CA 0.175 63.266 63.100 -0.015 0.000 0.802 213 P CB 1.862 33.514 31.700 -0.079 0.000 1.035 214 H N -1.689 117.374 119.070 -0.012 0.000 2.942 214 H HA 0.556 5.111 4.556 -0.001 0.000 0.316 214 H C -1.429 173.897 175.328 -0.003 0.000 1.323 214 H CA -1.079 54.972 56.048 0.005 0.000 1.144 214 H CB 1.238 31.011 29.762 0.018 0.000 1.866 214 H HN 0.308 nan 8.280 nan 0.000 0.545 215 V N 1.405 121.353 119.914 0.056 0.000 2.513 215 V HA 0.626 4.745 4.120 -0.001 0.000 0.299 215 V C -0.362 175.793 176.094 0.102 0.000 1.035 215 V CA -0.686 61.605 62.300 -0.014 0.000 0.889 215 V CB 1.373 33.195 31.823 -0.002 0.000 0.988 215 V HN 1.029 nan 8.190 nan 0.000 0.440 216 R N 4.397 124.931 120.500 0.056 0.000 2.750 216 R HA 0.781 5.120 4.340 -0.001 0.000 0.281 216 R C 0.309 176.656 176.300 0.078 0.000 0.972 216 R CA -0.288 55.886 56.100 0.123 0.000 0.912 216 R CB 1.776 32.182 30.300 0.177 0.000 1.187 216 R HN 1.925 nan 8.270 nan 0.000 0.464 217 G N 1.647 110.508 108.800 0.101 0.000 2.289 217 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.280 217 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.280 217 G C 0.093 175.035 174.900 0.069 0.000 1.089 217 G CA 0.346 45.501 45.100 0.092 0.000 0.939 217 G HN 1.074 nan 8.290 nan 0.000 0.499 218 T N -2.127 112.471 114.554 0.073 0.000 2.766 218 T HA 0.729 5.078 4.350 -0.001 0.000 0.295 218 T C 0.585 175.327 174.700 0.070 0.000 1.024 218 T CA 0.412 62.549 62.100 0.063 0.000 1.018 218 T CB 2.054 70.960 68.868 0.064 0.000 1.002 218 T HN 1.858 nan 8.240 nan 0.000 0.532 219 A N 1.321 124.175 122.820 0.056 0.000 2.318 219 A HA 0.598 4.917 4.320 -0.001 0.000 0.324 219 A C -0.198 177.424 177.584 0.064 0.000 1.170 219 A CA -0.878 51.190 52.037 0.052 0.000 0.810 219 A CB 0.833 19.848 19.000 0.025 0.000 1.198 219 A HN 0.841 nan 8.150 nan 0.000 0.484 220 Q N 1.657 121.510 119.800 0.088 0.000 2.353 220 Q HA 0.300 4.639 4.340 -0.001 0.000 0.268 220 Q C -0.633 175.415 176.000 0.080 0.000 1.045 220 Q CA -0.570 55.302 55.803 0.115 0.000 0.811 220 Q CB 2.124 30.991 28.738 0.215 0.000 1.305 220 Q HN 0.919 nan 8.270 nan 0.000 0.447 221 N N 1.661 120.404 118.700 0.070 0.000 2.366 221 N HA 0.113 4.852 4.740 -0.001 0.000 0.277 221 N C -1.828 173.731 175.510 0.083 0.000 1.275 221 N CA -1.310 51.769 53.050 0.048 0.000 0.964 221 N CB 0.409 38.920 38.487 0.040 0.000 1.167 221 N HN 0.305 nan 8.380 nan 0.000 0.568 222 P HA -0.125 nan 4.420 nan 0.000 0.222 222 P C 0.176 177.546 177.300 0.116 0.000 1.147 222 P CA 0.970 64.124 63.100 0.091 0.000 0.790 222 P CB 0.033 31.766 31.700 0.055 0.000 0.780 223 D N 0.256 120.708 120.400 0.088 0.000 2.144 223 D HA -0.178 4.461 4.640 -0.001 0.000 0.199 223 D C 1.662 178.015 176.300 0.088 0.000 0.984 223 D CA 1.440 55.485 54.000 0.076 0.000 0.834 223 D CB -1.083 39.749 40.800 0.053 0.000 0.955 223 D HN 0.354 nan 8.370 nan 0.000 0.465 224 I N -4.884 115.754 120.570 0.114 0.000 4.526 224 I HA 0.292 4.462 4.170 -0.001 0.000 0.330 224 I C 1.796 178.005 176.117 0.153 0.000 1.323 224 I CA -0.706 60.657 61.300 0.106 0.000 1.218 224 I CB -0.043 38.002 38.000 0.076 0.000 1.233 224 I HN -0.152 nan 8.210 nan 0.000 0.430 225 Y N 2.047 122.400 120.300 0.088 0.000 2.097 225 Y HA -0.235 4.315 4.550 -0.001 0.000 0.282 225 Y C 2.263 178.264 175.900 0.169 0.000 1.152 225 Y CA 2.482 60.638 58.100 0.095 0.000 1.136 225 Y CB -0.419 38.076 38.460 0.059 0.000 0.975 225 Y HN 0.268 nan 8.280 nan 0.000 0.498 226 F N 0.614 120.599 119.950 0.059 0.000 2.126 226 F HA -0.338 4.188 4.527 -0.001 0.000 0.299 226 F C 2.169 177.917 175.800 -0.087 0.000 1.096 226 F CA 1.433 59.414 58.000 -0.031 0.000 1.255 226 F CB -0.078 38.958 39.000 0.061 0.000 0.997 226 F HN 0.189 nan 8.300 nan 0.000 0.479 227 Q N 0.285 120.127 119.800 0.070 0.000 2.135 227 Q HA -0.151 4.188 4.340 -0.001 0.000 0.204 227 Q C 2.340 178.328 176.000 -0.019 0.000 0.981 227 Q CA 1.737 57.518 55.803 -0.037 0.000 0.856 227 Q CB -0.845 27.872 28.738 -0.035 0.000 0.902 227 Q HN 0.549 nan 8.270 nan 0.000 0.425 228 G N 0.082 108.858 108.800 -0.040 0.000 2.408 228 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.217 228 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.217 228 G C 1.515 176.344 174.900 -0.117 0.000 1.150 228 G CA 0.596 45.652 45.100 -0.074 0.000 0.776 228 G HN 0.140 nan 8.290 nan 0.000 0.542 229 R N 0.630 121.006 120.500 -0.207 0.000 2.115 229 R HA 0.032 4.371 4.340 -0.001 0.000 0.230 229 R C 2.010 178.295 176.300 -0.026 0.000 1.111 229 R CA 1.041 57.032 56.100 -0.181 0.000 0.976 229 R CB -0.067 30.055 30.300 -0.296 0.000 0.870 229 R HN 0.253 nan 8.270 nan 0.000 0.445 230 E N -0.687 119.532 120.200 0.033 0.000 2.479 230 E HA 0.102 4.451 4.350 -0.001 0.000 0.193 230 E C 1.299 177.929 176.600 0.051 0.000 1.049 230 E CA 0.581 57.013 56.400 0.054 0.000 0.870 230 E CB 0.598 30.331 29.700 0.056 0.000 0.944 230 E HN 0.374 nan 8.360 nan 0.000 0.492 231 A N 1.235 124.081 122.820 0.044 0.000 2.067 231 A HA 0.013 4.333 4.320 -0.001 0.000 0.219 231 A C 2.232 179.906 177.584 0.149 0.000 1.158 231 A CA 1.344 53.425 52.037 0.073 0.000 0.661 231 A CB -0.145 18.885 19.000 0.051 0.000 0.801 231 A HN 0.205 nan 8.150 nan 0.000 0.452 232 A N -0.042 122.875 122.820 0.160 0.000 2.238 232 A HA -0.007 4.312 4.320 -0.001 0.000 0.208 232 A C 1.529 179.355 177.584 0.404 0.000 1.177 232 A CA 0.744 52.961 52.037 0.299 0.000 0.804 232 A CB -0.788 18.362 19.000 0.251 0.000 0.823 232 A HN 0.716 nan 8.150 nan 0.000 0.482 233 N N 0.794 119.644 118.700 0.250 0.000 2.091 233 N HA -0.174 4.565 4.740 -0.001 0.000 0.193 233 N C -1.077 174.560 175.510 0.212 0.000 1.021 233 N CA 1.609 54.790 53.050 0.218 0.000 0.862 233 N CB -0.795 37.756 38.487 0.107 0.000 1.018 233 N HN 0.358 nan 8.380 nan 0.000 0.429 234 P HA -0.141 nan 4.420 nan 0.000 0.218 234 P C 0.575 177.810 177.300 -0.108 0.000 1.148 234 P CA 1.232 64.315 63.100 -0.028 0.000 0.822 234 P CB -0.094 31.514 31.700 -0.153 0.000 0.784 235 Y N -2.395 117.929 120.300 0.040 0.000 2.200 235 Y HA -0.161 4.388 4.550 -0.001 0.000 0.290 235 Y C 2.387 178.215 175.900 -0.120 0.000 1.137 235 Y CA 1.260 59.323 58.100 -0.061 0.000 1.163 235 Y CB -1.293 37.086 38.460 -0.134 0.000 0.988 235 Y HN -0.047 nan 8.280 nan 0.000 0.518 236 Y N -0.625 119.757 120.300 0.137 0.000 2.293 236 Y HA -0.166 4.384 4.550 -0.001 0.000 0.291 236 Y C 2.147 178.070 175.900 0.038 0.000 1.137 236 Y CA 1.010 59.148 58.100 0.063 0.000 1.202 236 Y CB -0.433 38.052 38.460 0.042 0.000 0.990 236 Y HN 0.073 nan 8.280 nan 0.000 0.537 237 L N -0.328 120.993 121.223 0.162 0.000 2.141 237 L HA -0.200 4.140 4.340 -0.001 0.000 0.209 237 L C 1.905 178.805 176.870 0.049 0.000 1.094 237 L CA 1.430 56.323 54.840 0.088 0.000 0.763 237 L CB -0.306 41.785 42.059 0.054 0.000 0.908 237 L HN 0.147 nan 8.230 nan 0.000 0.437 238 K N -0.627 119.784 120.400 0.019 0.000 2.361 238 K HA -0.043 4.276 4.320 -0.001 0.000 0.196 238 K C 1.994 178.616 176.600 0.037 0.000 1.039 238 K CA 0.652 56.943 56.287 0.007 0.000 1.001 238 K CB 0.184 32.660 32.500 -0.039 0.000 0.795 238 K HN 0.207 nan 8.250 nan 0.000 0.495 239 V N 1.207 121.148 119.914 0.045 0.000 2.343 239 V HA -0.105 4.014 4.120 -0.001 0.000 0.247 239 V C -1.158 175.005 176.094 0.114 0.000 1.051 239 V CA 1.247 63.599 62.300 0.086 0.000 1.036 239 V CB -1.030 30.833 31.823 0.067 0.000 0.654 239 V HN 0.100 nan 8.190 nan 0.000 0.451 240 P HA -0.062 nan 4.420 nan 0.000 0.215 240 P C 1.881 179.230 177.300 0.082 0.000 1.153 240 P CA 2.266 65.418 63.100 0.088 0.000 0.853 240 P CB -0.712 31.033 31.700 0.075 0.000 0.788 241 G N -0.577 108.261 108.800 0.063 0.000 2.422 241 G HA2 -0.178 3.782 3.960 -0.001 0.000 0.218 241 G HA3 -0.178 3.782 3.960 -0.001 0.000 0.218 241 G C 1.585 176.506 174.900 0.035 0.000 1.140 241 G CA 0.337 45.462 45.100 0.042 0.000 0.775 241 G HN 0.239 nan 8.290 nan 0.000 0.545 242 I N 0.252 120.861 120.570 0.065 0.000 2.202 242 I HA -0.134 4.035 4.170 -0.001 0.000 0.242 242 I C 2.768 178.986 176.117 0.168 0.000 1.091 242 I CA 0.422 61.780 61.300 0.096 0.000 1.368 242 I CB -0.244 37.843 38.000 0.147 0.000 1.058 242 I HN 0.011 nan 8.210 nan 0.000 0.410 243 V N 1.171 121.192 119.914 0.179 0.000 2.255 243 V HA -0.354 3.765 4.120 -0.001 0.000 0.247 243 V C 2.750 178.922 176.094 0.130 0.000 1.051 243 V CA 2.189 64.594 62.300 0.175 0.000 1.018 243 V CB -1.118 30.822 31.823 0.195 0.000 0.641 243 V HN 0.519 nan 8.190 nan 0.000 0.445 244 A N -0.279 122.596 122.820 0.091 0.000 1.908 244 A HA -0.301 4.018 4.320 -0.001 0.000 0.218 244 A C 2.352 179.958 177.584 0.037 0.000 1.181 244 A CA 2.124 54.202 52.037 0.069 0.000 0.627 244 A CB -0.572 18.462 19.000 0.056 0.000 0.818 244 A HN 0.657 nan 8.150 nan 0.000 0.445 245 E N -1.014 119.174 120.200 -0.019 0.000 2.077 245 E HA -0.223 4.126 4.350 -0.001 0.000 0.193 245 E C 1.809 178.310 176.600 -0.165 0.000 0.989 245 E CA 1.489 57.814 56.400 -0.126 0.000 0.800 245 E CB -0.361 29.209 29.700 -0.216 0.000 0.746 245 E HN 0.754 nan 8.360 nan 0.000 0.452 246 Y N 0.275 120.576 120.300 0.002 0.000 2.293 246 Y HA -0.080 4.470 4.550 -0.001 0.000 0.291 246 Y C 2.672 178.584 175.900 0.019 0.000 1.137 246 Y CA 1.154 59.248 58.100 -0.010 0.000 1.202 246 Y CB -0.079 38.349 38.460 -0.055 0.000 0.990 246 Y HN 0.031 nan 8.280 nan 0.000 0.537 247 M N -0.494 119.206 119.600 0.168 0.000 2.159 247 M HA -0.298 4.181 4.480 -0.001 0.000 0.263 247 M C 1.999 178.383 176.300 0.140 0.000 1.063 247 M CA 1.820 57.227 55.300 0.179 0.000 1.110 247 M CB -0.275 32.438 32.600 0.188 0.000 1.374 247 M HN 0.286 nan 8.290 nan 0.000 0.411 248 Q N -0.094 119.752 119.800 0.077 0.000 2.123 248 Q HA -0.125 4.214 4.340 -0.001 0.000 0.199 248 Q C 1.907 177.930 176.000 0.039 0.000 0.966 248 Q CA 1.171 56.999 55.803 0.043 0.000 0.845 248 Q CB 0.015 28.759 28.738 0.011 0.000 0.907 248 Q HN 0.459 nan 8.270 nan 0.000 0.439 249 K N -0.153 120.269 120.400 0.037 0.000 2.103 249 K HA -0.070 4.249 4.320 -0.001 0.000 0.204 249 K C 2.017 178.669 176.600 0.086 0.000 1.052 249 K CA 1.026 57.341 56.287 0.046 0.000 0.945 249 K CB 0.059 32.583 32.500 0.039 0.000 0.722 249 K HN 0.005 nan 8.250 nan 0.000 0.443 250 V N 1.386 121.375 119.914 0.124 0.000 2.427 250 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 250 V C 2.279 178.441 176.094 0.114 0.000 1.051 250 V CA 1.983 64.361 62.300 0.130 0.000 1.048 250 V CB -0.538 31.378 31.823 0.156 0.000 0.666 250 V HN 0.340 nan 8.190 nan 0.000 0.456 251 A N 0.637 123.517 122.820 0.100 0.000 2.019 251 A HA -0.184 4.135 4.320 -0.001 0.000 0.219 251 A C 2.485 180.091 177.584 0.036 0.000 1.164 251 A CA 1.973 54.042 52.037 0.054 0.000 0.644 251 A CB -0.617 18.396 19.000 0.022 0.000 0.805 251 A HN 0.691 nan 8.150 nan 0.000 0.449 252 S N -0.597 115.127 115.700 0.040 0.000 2.481 252 S HA 0.058 4.527 4.470 -0.001 0.000 0.231 252 S C 1.575 176.195 174.600 0.034 0.000 0.996 252 S CA 1.150 59.367 58.200 0.029 0.000 0.942 252 S CB -0.387 62.827 63.200 0.023 0.000 0.768 252 S HN 0.469 nan 8.310 nan 0.000 0.520 253 L N 1.150 122.402 121.223 0.050 0.000 2.463 253 L HA 0.157 4.497 4.340 -0.001 0.000 0.219 253 L C 2.552 179.454 176.870 0.054 0.000 1.088 253 L CA 1.159 56.031 54.840 0.052 0.000 0.849 253 L CB -0.257 41.843 42.059 0.068 0.000 1.012 253 L HN 0.575 nan 8.230 nan 0.000 0.468 254 T N -5.307 109.283 114.554 0.059 0.000 2.969 254 T HA 0.231 4.581 4.350 -0.001 0.000 0.250 254 T C 1.466 176.183 174.700 0.028 0.000 1.021 254 T CA 0.581 62.714 62.100 0.055 0.000 1.003 254 T CB 0.876 69.799 68.868 0.092 0.000 1.040 254 T HN 0.281 nan 8.240 nan 0.000 0.492 255 G N 2.100 110.909 108.800 0.016 0.000 2.148 255 G HA2 -0.255 3.704 3.960 -0.001 0.000 0.254 255 G HA3 -0.255 3.704 3.960 -0.001 0.000 0.254 255 G C 0.036 174.910 174.900 -0.042 0.000 0.981 255 G CA -0.068 45.028 45.100 -0.007 0.000 0.670 255 G HN 0.672 nan 8.290 nan 0.000 0.528 256 R N 0.783 121.248 120.500 -0.059 0.000 2.275 256 R HA 0.512 4.851 4.340 -0.001 0.000 0.326 256 R C -0.312 175.750 176.300 -0.397 0.000 0.973 256 R CA -0.287 55.696 56.100 -0.196 0.000 0.854 256 R CB 1.314 31.546 30.300 -0.113 0.000 1.156 256 R HN 0.177 nan 8.270 nan 0.000 0.487 257 S N 2.446 117.892 115.700 -0.423 0.000 2.554 257 S HA 0.483 4.952 4.470 -0.001 0.000 0.278 257 S C -0.863 173.406 174.600 -0.552 0.000 1.242 257 S CA -0.305 57.691 58.200 -0.340 0.000 1.051 257 S CB 0.648 63.764 63.200 -0.140 0.000 0.986 257 S HN 0.361 nan 8.310 nan 0.000 0.502 258 Y N 0.421 120.749 120.300 0.047 0.000 2.588 258 Y HA 0.542 5.091 4.550 -0.001 0.000 0.343 258 Y C 0.177 176.107 175.900 0.049 0.000 1.065 258 Y CA -1.088 57.041 58.100 0.048 0.000 1.038 258 Y CB 1.808 40.293 38.460 0.042 0.000 1.297 258 Y HN 0.424 nan 8.280 nan 0.000 0.467 259 K N 0.468 121.004 120.400 0.226 0.000 2.433 259 K HA 0.355 4.674 4.320 -0.001 0.000 0.252 259 K C -0.181 176.481 176.600 0.104 0.000 1.015 259 K CA -0.852 55.527 56.287 0.153 0.000 0.860 259 K CB 1.859 34.448 32.500 0.149 0.000 1.359 259 K HN 0.346 nan 8.250 nan 0.000 0.452 260 L N 0.658 121.919 121.223 0.063 0.000 2.042 260 L HA -0.031 4.308 4.340 -0.001 0.000 0.210 260 L C 0.257 176.906 176.870 -0.369 0.000 1.076 260 L CA 1.789 56.567 54.840 -0.103 0.000 0.749 260 L CB -0.397 41.666 42.059 0.007 0.000 0.893 260 L HN 0.409 nan 8.230 nan 0.000 0.432 261 F N -1.316 118.674 119.950 0.068 0.000 2.547 261 F HA 0.382 4.908 4.527 -0.001 0.000 0.316 261 F C -0.007 175.859 175.800 0.109 0.000 1.121 261 F CA -1.200 56.855 58.000 0.093 0.000 0.911 261 F CB 1.605 40.650 39.000 0.075 0.000 1.179 261 F HN -0.234 nan 8.300 nan 0.000 0.443 262 D N 1.516 122.084 120.400 0.279 0.000 2.342 262 D HA 0.215 4.855 4.640 -0.001 0.000 0.243 262 D C -1.517 174.935 176.300 0.253 0.000 1.019 262 D CA -0.337 53.801 54.000 0.230 0.000 0.864 262 D CB 2.760 43.671 40.800 0.185 0.000 1.315 262 D HN 0.511 nan 8.370 nan 0.000 0.468 263 Y N 1.016 121.380 120.300 0.106 0.000 2.446 263 Y HA 0.543 5.092 4.550 -0.001 0.000 0.338 263 Y C -1.184 174.766 175.900 0.084 0.000 1.055 263 Y CA -0.440 57.714 58.100 0.090 0.000 1.101 263 Y CB 1.355 39.847 38.460 0.053 0.000 1.221 263 Y HN 0.119 nan 8.280 nan 0.000 0.460 264 V N 4.719 124.144 119.914 -0.815 0.000 2.971 264 V HA 0.876 4.996 4.120 -0.001 0.000 0.309 264 V C -0.163 175.456 176.094 -0.791 0.000 1.130 264 V CA 0.177 62.153 62.300 -0.541 0.000 0.964 264 V CB 1.591 33.282 31.823 -0.219 0.000 1.029 264 V HN 1.262 nan 8.190 nan 0.000 0.427 265 G N 3.139 111.740 108.800 -0.331 0.000 2.384 265 G HA2 0.453 4.412 3.960 -0.001 0.000 0.668 265 G HA3 0.453 4.412 3.960 -0.001 0.000 0.668 265 G C -0.184 174.768 174.900 0.085 0.000 1.280 265 G CA -0.125 44.884 45.100 -0.152 0.000 0.992 265 G HN 1.819 nan 8.290 nan 0.000 0.512 266 A N 0.466 123.355 122.820 0.115 0.000 2.548 266 A HA 0.555 4.875 4.320 -0.001 0.000 0.247 266 A C -0.461 177.266 177.584 0.238 0.000 1.067 266 A CA 0.583 52.707 52.037 0.145 0.000 0.757 266 A CB -0.007 19.041 19.000 0.080 0.000 0.996 266 A HN 0.490 nan 8.150 nan 0.000 0.504 267 P HA -0.115 nan 4.420 nan 0.000 0.221 267 P C 0.314 177.633 177.300 0.032 0.000 1.145 267 P CA 1.583 64.744 63.100 0.102 0.000 0.795 267 P CB 0.139 31.879 31.700 0.067 0.000 0.775 268 D N -1.615 118.816 120.400 0.051 0.000 2.615 268 D HA 0.209 4.848 4.640 -0.001 0.000 0.236 268 D C 0.120 176.450 176.300 0.049 0.000 1.233 268 D CA -0.734 53.285 54.000 0.031 0.000 0.829 268 D CB -0.726 40.090 40.800 0.026 0.000 1.024 268 D HN -0.054 nan 8.370 nan 0.000 0.490 269 A N 0.541 123.414 122.820 0.087 0.000 2.540 269 A HA 0.103 4.422 4.320 -0.001 0.000 0.239 269 A C 0.973 178.611 177.584 0.091 0.000 1.061 269 A CA -0.039 52.067 52.037 0.115 0.000 0.758 269 A CB 0.349 19.483 19.000 0.223 0.000 0.991 269 A HN 0.264 nan 8.150 nan 0.000 0.502 270 E N 1.016 121.267 120.200 0.085 0.000 2.364 270 E HA 0.027 4.377 4.350 -0.001 0.000 0.196 270 E C 0.069 176.737 176.600 0.114 0.000 0.990 270 E CA 0.423 56.872 56.400 0.082 0.000 0.886 270 E CB 0.310 30.046 29.700 0.060 0.000 0.866 270 E HN 0.650 nan 8.360 nan 0.000 0.493 271 R N 1.080 121.670 120.500 0.150 0.000 2.439 271 R HA 0.451 4.790 4.340 -0.001 0.000 0.310 271 R C -1.313 175.182 176.300 0.325 0.000 0.955 271 R CA -0.396 55.836 56.100 0.220 0.000 0.853 271 R CB 2.366 32.816 30.300 0.250 0.000 1.171 271 R HN -0.144 nan 8.270 nan 0.000 0.449 272 V N 5.096 125.196 119.914 0.309 0.000 2.656 272 V HA 0.483 4.602 4.120 -0.001 0.000 0.307 272 V C 0.009 176.274 176.094 0.285 0.000 1.051 272 V CA -0.791 61.722 62.300 0.354 0.000 0.893 272 V CB 2.339 34.357 31.823 0.325 0.000 0.999 272 V HN 0.634 nan 8.190 nan 0.000 0.426 273 I N 3.671 124.400 120.570 0.264 0.000 2.488 273 I HA 0.489 4.659 4.170 -0.001 0.000 0.299 273 I C -0.589 175.671 176.117 0.240 0.000 0.984 273 I CA -0.763 60.632 61.300 0.157 0.000 1.250 273 I CB 1.984 39.999 38.000 0.024 0.000 1.389 273 I HN 0.268 nan 8.210 nan 0.000 0.488 274 V N 4.698 124.767 119.914 0.259 0.000 2.417 274 V HA 0.547 4.667 4.120 -0.001 0.000 0.291 274 V C -0.159 176.096 176.094 0.269 0.000 1.024 274 V CA -0.196 62.307 62.300 0.338 0.000 0.861 274 V CB 1.478 33.576 31.823 0.458 0.000 0.985 274 V HN 0.812 nan 8.190 nan 0.000 0.436 275 S N 4.533 120.394 115.700 0.268 0.000 2.625 275 S HA 0.861 5.331 4.470 -0.001 0.000 0.271 275 S C -1.273 173.482 174.600 0.258 0.000 1.161 275 S CA -0.647 57.679 58.200 0.210 0.000 0.820 275 S CB 1.926 65.159 63.200 0.055 0.000 1.137 275 S HN 0.773 nan 8.310 nan 0.000 0.470 276 M N 2.121 121.892 119.600 0.286 0.000 2.433 276 M HA 0.625 5.104 4.480 -0.001 0.000 0.290 276 M C -0.147 176.361 176.300 0.347 0.000 1.173 276 M CA 0.832 56.304 55.300 0.287 0.000 0.905 276 M CB 1.434 34.219 32.600 0.308 0.000 1.692 276 M HN 1.317 nan 8.290 nan 0.000 0.462 277 G N 1.780 110.720 108.800 0.233 0.000 2.615 277 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 277 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 277 G C 0.303 175.344 174.900 0.234 0.000 1.339 277 G CA 0.305 45.560 45.100 0.258 0.000 0.884 277 G HN 1.501 nan 8.290 nan 0.000 0.559 278 S N -0.435 115.414 115.700 0.249 0.000 2.419 278 S HA -0.151 4.318 4.470 -0.001 0.000 0.235 278 S C 2.678 177.413 174.600 0.225 0.000 1.019 278 S CA 2.641 60.972 58.200 0.219 0.000 0.982 278 S CB -0.732 62.602 63.200 0.222 0.000 0.789 278 S HN 2.395 nan 8.310 nan 0.000 0.490 279 S N 0.914 116.754 115.700 0.233 0.000 2.400 279 S HA -0.165 4.304 4.470 -0.001 0.000 0.232 279 S C 1.966 176.691 174.600 0.209 0.000 1.025 279 S CA 1.109 59.438 58.200 0.214 0.000 0.993 279 S CB -1.581 61.527 63.200 -0.153 0.000 0.808 279 S HN 0.698 nan 8.310 nan 0.000 0.478 280 C N 1.889 121.290 119.300 0.169 0.000 2.411 280 C HA 0.013 4.472 4.460 -0.001 0.000 0.279 280 C C 2.976 178.059 174.990 0.154 0.000 1.288 280 C CA 0.697 59.809 59.018 0.157 0.000 1.764 280 C CB -1.220 26.609 27.740 0.149 0.000 1.974 280 C HN 0.607 nan 8.230 nan 0.000 0.498 281 E N 0.419 120.714 120.200 0.158 0.000 2.051 281 E HA -0.146 4.204 4.350 -0.001 0.000 0.192 281 E C 2.229 178.922 176.600 0.154 0.000 0.991 281 E CA 1.599 58.080 56.400 0.136 0.000 0.799 281 E CB -0.715 29.058 29.700 0.121 0.000 0.748 281 E HN 0.581 nan 8.360 nan 0.000 0.449 282 T N 1.566 116.243 114.554 0.205 0.000 2.821 282 T HA -0.045 4.304 4.350 -0.001 0.000 0.267 282 T C 2.101 176.890 174.700 0.149 0.000 1.046 282 T CA 0.654 62.883 62.100 0.215 0.000 1.139 282 T CB -0.122 68.890 68.868 0.241 0.000 0.871 282 T HN 0.080 nan 8.240 nan 0.000 0.454 283 I N 0.777 121.456 120.570 0.181 0.000 2.252 283 I HA -0.128 4.041 4.170 -0.001 0.000 0.245 283 I C 2.673 178.885 176.117 0.159 0.000 1.102 283 I CA 1.243 62.652 61.300 0.182 0.000 1.385 283 I CB -0.276 37.849 38.000 0.207 0.000 1.064 283 I HN 0.293 nan 8.210 nan 0.000 0.414 284 E N 1.124 121.398 120.200 0.125 0.000 2.058 284 E HA -0.319 4.030 4.350 -0.001 0.000 0.194 284 E C 2.115 178.764 176.600 0.082 0.000 0.997 284 E CA 1.721 58.170 56.400 0.081 0.000 0.801 284 E CB -0.057 29.679 29.700 0.061 0.000 0.746 284 E HN 0.430 nan 8.360 nan 0.000 0.450 285 E N -0.222 120.038 120.200 0.099 0.000 2.049 285 E HA -0.226 4.123 4.350 -0.001 0.000 0.198 285 E C 2.092 178.764 176.600 0.120 0.000 1.007 285 E CA 1.862 58.324 56.400 0.104 0.000 0.809 285 E CB 0.012 29.793 29.700 0.135 0.000 0.749 285 E HN 0.197 nan 8.360 nan 0.000 0.450 286 V N 1.170 121.162 119.914 0.129 0.000 2.407 286 V HA -0.257 3.862 4.120 -0.001 0.000 0.248 286 V C 2.394 178.581 176.094 0.156 0.000 1.055 286 V CA 1.662 64.062 62.300 0.167 0.000 1.049 286 V CB -0.415 31.504 31.823 0.160 0.000 0.662 286 V HN 0.350 nan 8.190 nan 0.000 0.455 287 I N 0.485 121.115 120.570 0.100 0.000 2.208 287 I HA -0.304 3.865 4.170 -0.001 0.000 0.245 287 I C 2.249 178.383 176.117 0.029 0.000 1.097 287 I CA 2.025 63.333 61.300 0.013 0.000 1.363 287 I CB -0.572 37.425 38.000 -0.005 0.000 1.051 287 I HN 0.444 nan 8.210 nan 0.000 0.413 288 N N -0.722 118.014 118.700 0.059 0.000 2.120 288 N HA -0.244 4.495 4.740 -0.001 0.000 0.188 288 N C 1.994 177.541 175.510 0.062 0.000 1.024 288 N CA 0.842 53.920 53.050 0.047 0.000 0.852 288 N CB -0.201 38.317 38.487 0.051 0.000 1.003 288 N HN 0.441 nan 8.380 nan 0.000 0.424 289 H N 1.018 120.096 119.070 0.014 0.000 2.256 289 H HA -0.076 4.479 4.556 -0.001 0.000 0.299 289 H C 1.981 177.317 175.328 0.014 0.000 1.071 289 H CA 1.319 57.374 56.048 0.012 0.000 1.280 289 H CB -0.060 29.719 29.762 0.028 0.000 1.370 289 H HN 0.076 nan 8.280 nan 0.000 0.490 290 L N 1.046 122.356 121.223 0.145 0.000 2.093 290 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 290 L C 2.972 179.815 176.870 -0.046 0.000 1.085 290 L CA 1.720 56.592 54.840 0.053 0.000 0.755 290 L CB -1.370 40.732 42.059 0.070 0.000 0.904 290 L HN 0.365 nan 8.230 nan 0.000 0.435 291 A N -0.948 121.842 122.820 -0.050 0.000 1.969 291 A HA -0.072 4.247 4.320 -0.001 0.000 0.218 291 A C 2.393 179.948 177.584 -0.048 0.000 1.169 291 A CA 1.406 53.412 52.037 -0.052 0.000 0.635 291 A CB -0.708 18.269 19.000 -0.039 0.000 0.810 291 A HN 0.374 nan 8.150 nan 0.000 0.445 292 A N -0.355 122.427 122.820 -0.064 0.000 2.121 292 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 292 A C 1.864 179.400 177.584 -0.081 0.000 1.154 292 A CA 1.428 53.424 52.037 -0.069 0.000 0.679 292 A CB -0.296 18.652 19.000 -0.087 0.000 0.795 292 A HN 0.528 nan 8.150 nan 0.000 0.458 293 K N -1.501 118.841 120.400 -0.098 0.000 2.404 293 K HA 0.260 4.579 4.320 -0.001 0.000 0.194 293 K C 1.022 177.596 176.600 -0.045 0.000 1.023 293 K CA 0.465 56.703 56.287 -0.082 0.000 1.094 293 K CB 0.156 32.599 32.500 -0.095 0.000 0.841 293 K HN 0.577 nan 8.250 nan 0.000 0.523 294 G N 1.471 110.248 108.800 -0.038 0.000 2.195 294 G HA2 -0.223 3.736 3.960 -0.001 0.000 0.224 294 G HA3 -0.223 3.736 3.960 -0.001 0.000 0.224 294 G C -0.363 174.523 174.900 -0.023 0.000 0.990 294 G CA -0.471 44.615 45.100 -0.023 0.000 0.639 294 G HN 0.313 nan 8.290 nan 0.000 0.514 295 E N 1.421 121.599 120.200 -0.037 0.000 2.366 295 E HA 0.197 4.547 4.350 -0.001 0.000 0.266 295 E C 0.054 176.622 176.600 -0.053 0.000 1.015 295 E CA -0.019 56.351 56.400 -0.050 0.000 0.906 295 E CB 0.503 30.154 29.700 -0.082 0.000 0.979 295 E HN 0.139 nan 8.360 nan 0.000 0.443 296 K N 4.406 124.788 120.400 -0.030 0.000 2.307 296 K HA 0.217 4.536 4.320 -0.001 0.000 0.240 296 K C 0.254 176.852 176.600 -0.003 0.000 1.214 296 K CA 0.067 56.354 56.287 -0.001 0.000 1.149 296 K CB -0.916 31.597 32.500 0.021 0.000 1.668 296 K HN 0.465 nan 8.250 nan 0.000 0.314 297 I N -3.161 117.375 120.570 -0.057 0.000 2.892 297 I HA 0.843 5.012 4.170 -0.001 0.000 0.306 297 I C -0.112 176.012 176.117 0.012 0.000 1.078 297 I CA -1.084 60.152 61.300 -0.107 0.000 1.032 297 I CB 2.615 40.260 38.000 -0.591 0.000 1.229 297 I HN 0.206 nan 8.210 nan 0.000 0.435 298 G N 2.871 111.764 108.800 0.155 0.000 2.687 298 G HA2 0.674 4.634 3.960 -0.001 0.000 0.291 298 G HA3 0.674 4.634 3.960 -0.001 0.000 0.291 298 G C -2.243 172.778 174.900 0.200 0.000 1.420 298 G CA -0.758 44.420 45.100 0.131 0.000 0.796 298 G HN 0.802 nan 8.290 nan 0.000 0.485 299 L N -0.526 120.668 121.223 -0.049 0.000 2.482 299 L HA 0.764 5.103 4.340 -0.001 0.000 0.263 299 L C -1.475 175.458 176.870 0.105 0.000 0.957 299 L CA -0.641 54.261 54.840 0.102 0.000 0.836 299 L CB 1.943 44.054 42.059 0.087 0.000 1.324 299 L HN 0.493 nan 8.230 nan 0.000 0.406 300 I N 4.436 125.168 120.570 0.270 0.000 2.330 300 I HA 0.375 4.544 4.170 -0.001 0.000 0.289 300 I C -0.271 176.036 176.117 0.316 0.000 1.001 300 I CA -0.625 60.869 61.300 0.323 0.000 1.193 300 I CB 1.282 39.481 38.000 0.331 0.000 1.345 300 I HN 0.539 nan 8.210 nan 0.000 0.461 301 K N 5.802 126.365 120.400 0.273 0.000 2.258 301 K HA 0.344 4.663 4.320 -0.001 0.000 0.284 301 K C -0.502 176.255 176.600 0.261 0.000 1.051 301 K CA -0.462 55.968 56.287 0.238 0.000 0.923 301 K CB 2.130 34.735 32.500 0.175 0.000 1.046 301 K HN 0.405 nan 8.250 nan 0.000 0.474 302 V N 4.145 124.207 119.914 0.246 0.000 2.383 302 V HA 0.235 4.355 4.120 -0.001 0.000 0.275 302 V C 0.272 176.344 176.094 -0.037 0.000 1.036 302 V CA -0.126 62.224 62.300 0.083 0.000 0.889 302 V CB 1.190 33.170 31.823 0.262 0.000 0.985 302 V HN 0.724 nan 8.190 nan 0.000 0.459 303 R N 4.517 124.901 120.500 -0.193 0.000 2.056 303 R HA 0.433 4.773 4.340 -0.001 0.000 0.215 303 R C 0.180 176.397 176.300 -0.139 0.000 1.205 303 R CA 0.447 56.463 56.100 -0.140 0.000 1.020 303 R CB -0.466 29.763 30.300 -0.118 0.000 0.911 303 R HN 0.645 nan 8.270 nan 0.000 0.451 304 L N 1.508 122.581 121.223 -0.251 0.000 2.268 304 L HA 0.196 4.535 4.340 -0.001 0.000 0.289 304 L C 0.206 177.002 176.870 -0.124 0.000 1.064 304 L CA -0.121 54.642 54.840 -0.128 0.000 0.824 304 L CB 0.777 42.762 42.059 -0.122 0.000 1.202 304 L HN 0.226 nan 8.230 nan 0.000 0.433 305 Y N 5.003 125.312 120.300 0.016 0.000 2.397 305 Y HA 0.310 4.859 4.550 -0.001 0.000 0.292 305 Y C 0.380 176.430 175.900 0.250 0.000 1.115 305 Y CA 0.518 58.741 58.100 0.205 0.000 1.208 305 Y CB 0.360 38.994 38.460 0.290 0.000 1.046 305 Y HN 0.408 nan 8.280 nan 0.000 0.552 306 R N 0.700 121.203 120.500 0.005 0.000 2.538 306 R HA 0.327 4.666 4.340 -0.001 0.000 0.292 306 R C -2.999 173.275 176.300 -0.044 0.000 1.008 306 R CA -2.367 53.702 56.100 -0.052 0.000 0.896 306 R CB 1.388 31.669 30.300 -0.031 0.000 1.187 306 R HN -0.003 nan 8.270 nan 0.000 0.440 307 P HA 0.005 nan 4.420 nan 0.000 0.267 307 P C -0.639 176.694 177.300 0.055 0.000 1.200 307 P CA 0.072 63.202 63.100 0.050 0.000 0.772 307 P CB 0.312 32.071 31.700 0.098 0.000 0.855 308 F N 3.976 123.889 119.950 -0.061 0.000 2.350 308 F HA 0.271 4.798 4.527 -0.001 0.000 0.365 308 F C -0.385 175.460 175.800 0.075 0.000 1.122 308 F CA -0.397 57.598 58.000 -0.008 0.000 1.139 308 F CB 0.457 39.383 39.000 -0.124 0.000 1.220 308 F HN -0.056 nan 8.300 nan 0.000 0.499 309 V N 6.720 126.595 119.914 -0.064 0.000 2.320 309 V HA 0.064 4.183 4.120 -0.001 0.000 0.265 309 V C 0.879 176.945 176.094 -0.047 0.000 1.048 309 V CA 0.066 62.388 62.300 0.037 0.000 0.865 309 V CB 0.583 32.462 31.823 0.094 0.000 1.043 309 V HN 0.935 nan 8.190 nan 0.000 0.474 310 S N 2.938 118.657 115.700 0.031 0.000 2.383 310 S HA -0.213 4.256 4.470 -0.001 0.000 0.229 310 S C 1.900 176.515 174.600 0.025 0.000 1.030 310 S CA 1.786 59.972 58.200 -0.024 0.000 1.002 310 S CB -0.057 63.217 63.200 0.124 0.000 0.829 310 S HN 0.922 nan 8.310 nan 0.000 0.467 311 E N 1.275 121.540 120.200 0.109 0.000 2.110 311 E HA -0.153 4.197 4.350 -0.001 0.000 0.193 311 E C 2.026 178.670 176.600 0.073 0.000 0.988 311 E CA 1.054 57.537 56.400 0.138 0.000 0.804 311 E CB -0.231 29.533 29.700 0.107 0.000 0.745 311 E HN 0.503 nan 8.360 nan 0.000 0.458 312 A N 0.435 123.285 122.820 0.049 0.000 1.968 312 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 312 A C 1.912 179.433 177.584 -0.106 0.000 1.169 312 A CA 0.898 52.994 52.037 0.097 0.000 0.638 312 A CB -0.740 18.435 19.000 0.292 0.000 0.812 312 A HN 0.510 nan 8.150 nan 0.000 0.446 313 F N -0.130 119.324 119.950 -0.827 0.000 2.075 313 F HA -0.147 4.379 4.527 -0.001 0.000 0.297 313 F C 1.880 177.292 175.800 -0.646 0.000 1.113 313 F CA 1.742 58.956 58.000 -1.310 0.000 1.218 313 F CB -0.476 37.588 39.000 -1.561 0.000 0.984 313 F HN 0.227 nan 8.300 nan 0.000 0.472 314 F N 0.390 120.152 119.950 -0.314 0.000 2.216 314 F HA -0.116 4.411 4.527 -0.001 0.000 0.300 314 F C 2.560 178.214 175.800 -0.243 0.000 1.085 314 F CA 0.731 58.547 58.000 -0.308 0.000 1.326 314 F CB -0.905 38.003 39.000 -0.154 0.000 1.027 314 F HN 0.095 nan 8.300 nan 0.000 0.497 315 A N -0.047 122.768 122.820 -0.008 0.000 2.076 315 A HA -0.094 4.225 4.320 -0.001 0.000 0.220 315 A C 2.187 179.737 177.584 -0.056 0.000 1.160 315 A CA 1.686 53.717 52.037 -0.010 0.000 0.653 315 A CB -0.889 18.129 19.000 0.029 0.000 0.801 315 A HN 0.317 nan 8.150 nan 0.000 0.455 316 A N -1.567 121.170 122.820 -0.138 0.000 2.267 316 A HA 0.466 4.785 4.320 -0.001 0.000 0.213 316 A C 0.779 178.216 177.584 -0.244 0.000 1.192 316 A CA -0.149 51.828 52.037 -0.100 0.000 0.851 316 A CB -0.026 18.979 19.000 0.008 0.000 0.881 316 A HN 0.404 nan 8.150 nan 0.000 0.494 317 L N 2.128 123.158 121.223 -0.323 0.000 2.260 317 L HA 0.343 4.682 4.340 -0.001 0.000 0.289 317 L C -2.540 174.188 176.870 -0.237 0.000 1.057 317 L CA -2.025 52.637 54.840 -0.297 0.000 0.811 317 L CB 1.469 43.388 42.059 -0.233 0.000 1.184 317 L HN 0.058 nan 8.230 nan 0.000 0.429 318 P HA 0.059 nan 4.420 nan 0.000 0.268 318 P C 0.194 177.448 177.300 -0.075 0.000 1.204 318 P CA -0.124 62.832 63.100 -0.240 0.000 0.768 318 P CB 0.959 32.496 31.700 -0.271 0.000 0.842 319 A N 2.624 125.416 122.820 -0.046 0.000 2.067 319 A HA -0.130 4.190 4.320 -0.001 0.000 0.219 319 A C 1.909 179.502 177.584 0.016 0.000 1.158 319 A CA 1.709 53.746 52.037 -0.001 0.000 0.661 319 A CB -1.240 17.752 19.000 -0.013 0.000 0.801 319 A HN 0.591 nan 8.150 nan 0.000 0.452 320 S N -0.138 115.565 115.700 0.005 0.000 2.561 320 S HA 0.397 4.866 4.470 -0.001 0.000 0.225 320 S C 0.976 175.601 174.600 0.041 0.000 0.977 320 S CA 0.260 58.472 58.200 0.021 0.000 0.926 320 S CB -0.699 62.511 63.200 0.016 0.000 0.769 320 S HN 0.873 nan 8.310 nan 0.000 0.533 321 A N 1.697 124.549 122.820 0.053 0.000 2.524 321 A HA 0.296 4.615 4.320 -0.001 0.000 0.250 321 A C 1.058 178.687 177.584 0.076 0.000 1.078 321 A CA -0.156 51.932 52.037 0.085 0.000 0.761 321 A CB 0.173 19.244 19.000 0.118 0.000 1.012 321 A HN 0.500 nan 8.150 nan 0.000 0.500 322 K N 1.365 121.806 120.400 0.068 0.000 2.365 322 K HA 0.264 4.583 4.320 -0.001 0.000 0.195 322 K C -0.456 176.165 176.600 0.036 0.000 1.079 322 K CA 0.516 56.830 56.287 0.045 0.000 0.979 322 K CB 0.673 33.199 32.500 0.042 0.000 0.929 322 K HN 0.536 nan 8.250 nan 0.000 0.523 323 V N 2.076 122.027 119.914 0.062 0.000 2.841 323 V HA 0.438 4.558 4.120 -0.001 0.000 0.310 323 V C -0.963 175.192 176.094 0.101 0.000 1.090 323 V CA -1.000 61.337 62.300 0.061 0.000 0.930 323 V CB 2.655 34.519 31.823 0.068 0.000 1.014 323 V HN 0.105 nan 8.190 nan 0.000 0.425 324 I N 3.131 123.759 120.570 0.097 0.000 2.569 324 I HA 0.661 4.830 4.170 -0.001 0.000 0.290 324 I C -0.833 175.378 176.117 0.157 0.000 1.088 324 I CA -0.073 61.323 61.300 0.160 0.000 1.047 324 I CB 2.354 40.482 38.000 0.214 0.000 1.237 324 I HN 0.823 nan 8.210 nan 0.000 0.421 325 T N 6.430 121.082 114.554 0.163 0.000 2.792 325 T HA 0.621 4.970 4.350 -0.001 0.000 0.280 325 T C -0.871 173.931 174.700 0.169 0.000 0.990 325 T CA -0.407 61.787 62.100 0.156 0.000 0.960 325 T CB 1.208 70.186 68.868 0.184 0.000 0.939 325 T HN 0.357 nan 8.240 nan 0.000 0.439 326 V N 6.047 126.065 119.914 0.174 0.000 2.383 326 V HA 0.459 4.578 4.120 -0.001 0.000 0.275 326 V C -0.385 175.770 176.094 0.101 0.000 1.036 326 V CA -0.960 61.460 62.300 0.200 0.000 0.889 326 V CB 0.961 32.955 31.823 0.285 0.000 0.985 326 V HN 0.735 nan 8.190 nan 0.000 0.459 327 L N 4.672 125.965 121.223 0.117 0.000 2.295 327 L HA 0.566 4.905 4.340 -0.001 0.000 0.285 327 L C 0.053 177.078 176.870 0.258 0.000 1.035 327 L CA 0.087 54.989 54.840 0.104 0.000 0.806 327 L CB 1.252 43.265 42.059 -0.076 0.000 1.214 327 L HN 0.626 nan 8.230 nan 0.000 0.426 328 D N 2.943 123.460 120.400 0.195 0.000 2.375 328 D HA 0.264 4.903 4.640 -0.001 0.000 0.247 328 D C 0.036 176.287 176.300 -0.081 0.000 1.061 328 D CA -0.465 53.629 54.000 0.156 0.000 0.834 328 D CB 2.108 42.922 40.800 0.024 0.000 1.247 328 D HN 0.325 nan 8.370 nan 0.000 0.489 329 R N 1.518 121.888 120.500 -0.217 0.000 4.394 329 R HA 0.177 4.516 4.340 -0.001 0.000 0.257 329 R C -0.270 175.859 176.300 -0.285 0.000 1.727 329 R CA 0.129 55.808 56.100 -0.702 0.000 1.497 329 R CB 0.136 29.759 30.300 -1.130 0.000 1.406 329 R HN 0.332 nan 8.270 nan 0.000 0.745 330 T N -0.803 113.673 114.554 -0.130 0.000 2.693 330 T HA 0.334 4.683 4.350 -0.001 0.000 0.304 330 T C -2.100 172.562 174.700 -0.064 0.000 1.471 330 T CA -0.786 61.297 62.100 -0.029 0.000 0.993 330 T CB 1.431 70.394 68.868 0.157 0.000 1.554 330 T HN 0.153 nan 8.240 nan 0.000 0.496 331 K N 1.682 122.058 120.400 -0.040 0.000 2.541 331 K HA 0.504 4.823 4.320 -0.001 0.000 0.250 331 K C -1.472 175.104 176.600 -0.039 0.000 0.950 331 K CA -0.335 55.923 56.287 -0.049 0.000 0.805 331 K CB 1.441 33.918 32.500 -0.038 0.000 1.166 331 K HN 0.553 nan 8.250 nan 0.000 0.430 332 E N 5.574 125.742 120.200 -0.054 0.000 2.101 332 E HA 0.278 4.628 4.350 -0.001 0.000 0.260 332 E C -2.282 174.294 176.600 -0.041 0.000 0.897 332 E CA -2.068 54.305 56.400 -0.045 0.000 0.744 332 E CB 1.151 30.814 29.700 -0.061 0.000 1.140 332 E HN 0.441 nan 8.360 nan 0.000 0.419 333 P HA 0.040 nan 4.420 nan 0.000 0.267 333 P C 0.879 178.160 177.300 -0.031 0.000 1.205 333 P CA 0.484 63.567 63.100 -0.028 0.000 0.765 333 P CB 0.856 32.547 31.700 -0.015 0.000 0.828 334 G N 1.824 110.600 108.800 -0.041 0.000 2.267 334 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.257 334 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.257 334 G C 0.531 175.404 174.900 -0.046 0.000 0.998 334 G CA 0.129 45.205 45.100 -0.041 0.000 0.620 334 G HN 0.876 nan 8.290 nan 0.000 0.529 335 A N 1.077 123.870 122.820 -0.046 0.000 2.406 335 A HA 0.641 4.960 4.320 -0.001 0.000 0.243 335 A C 0.202 177.756 177.584 -0.050 0.000 1.082 335 A CA 0.037 52.051 52.037 -0.039 0.000 0.786 335 A CB 0.375 19.353 19.000 -0.038 0.000 1.029 335 A HN 0.286 nan 8.150 nan 0.000 0.495 336 P HA 0.143 nan 4.420 nan 0.000 0.237 336 P C 0.500 177.838 177.300 0.063 0.000 1.178 336 P CA 1.362 64.452 63.100 -0.017 0.000 0.766 336 P CB 0.187 31.900 31.700 0.022 0.000 0.876 337 G N -0.873 107.991 108.800 0.106 0.000 2.466 337 G HA2 0.231 4.191 3.960 -0.001 0.000 0.291 337 G HA3 0.231 4.191 3.960 -0.001 0.000 0.291 337 G C -2.016 172.952 174.900 0.114 0.000 1.460 337 G CA -0.581 44.660 45.100 0.235 0.000 0.791 337 G HN -0.205 nan 8.290 nan 0.000 0.505 338 D N 0.278 120.716 120.400 0.063 0.000 2.348 338 D HA 0.371 5.011 4.640 -0.001 0.000 0.249 338 D C -1.290 174.950 176.300 -0.100 0.000 1.110 338 D CA -1.463 52.491 54.000 -0.077 0.000 0.967 338 D CB 2.014 42.743 40.800 -0.117 0.000 1.139 338 D HN -0.038 nan 8.370 nan 0.000 0.466 339 P HA -0.124 nan 4.420 nan 0.000 0.215 339 P C 1.537 178.783 177.300 -0.091 0.000 1.153 339 P CA 0.596 63.517 63.100 -0.299 0.000 0.853 339 P CB 0.260 31.553 31.700 -0.677 0.000 0.788 340 L N -1.544 119.659 121.223 -0.034 0.000 2.056 340 L HA -0.158 4.181 4.340 -0.001 0.000 0.207 340 L C 2.395 179.320 176.870 0.092 0.000 1.078 340 L CA 1.714 56.674 54.840 0.201 0.000 0.749 340 L CB -1.594 40.662 42.059 0.328 0.000 0.901 340 L HN -0.068 nan 8.230 nan 0.000 0.433 341 Y N -0.750 119.536 120.300 -0.023 0.000 2.128 341 Y HA -0.261 4.289 4.550 -0.001 0.000 0.284 341 Y C 2.175 178.038 175.900 -0.062 0.000 1.154 341 Y CA 1.799 59.881 58.100 -0.030 0.000 1.149 341 Y CB -0.419 38.017 38.460 -0.040 0.000 0.976 341 Y HN 0.155 nan 8.280 nan 0.000 0.505 342 L N 0.816 121.933 121.223 -0.177 0.000 2.083 342 L HA -0.212 4.127 4.340 -0.001 0.000 0.209 342 L C 2.057 178.724 176.870 -0.338 0.000 1.083 342 L CA 1.800 56.462 54.840 -0.297 0.000 0.752 342 L CB -1.359 40.618 42.059 -0.137 0.000 0.899 342 L HN 0.295 nan 8.230 nan 0.000 0.433 343 D N -0.938 119.236 120.400 -0.377 0.000 2.117 343 D HA -0.128 4.511 4.640 -0.001 0.000 0.197 343 D C 2.415 178.310 176.300 -0.675 0.000 0.987 343 D CA 1.002 54.592 54.000 -0.683 0.000 0.829 343 D CB -0.137 39.929 40.800 -1.224 0.000 0.961 343 D HN 0.129 nan 8.370 nan 0.000 0.460 344 V N 0.870 120.482 119.914 -0.504 0.000 2.295 344 V HA -0.272 3.847 4.120 -0.001 0.000 0.246 344 V C 2.715 178.706 176.094 -0.172 0.000 1.049 344 V CA 1.307 63.363 62.300 -0.406 0.000 1.024 344 V CB -0.514 31.187 31.823 -0.204 0.000 0.648 344 V HN 0.290 nan 8.190 nan 0.000 0.447 345 C N 0.593 119.751 119.300 -0.236 0.000 2.413 345 C HA -0.161 4.298 4.460 -0.001 0.000 0.277 345 C C 3.251 178.217 174.990 -0.040 0.000 1.265 345 C CA 1.559 60.495 59.018 -0.137 0.000 1.752 345 C CB -1.228 26.301 27.740 -0.352 0.000 1.998 345 C HN 0.782 nan 8.230 nan 0.000 0.489 346 S N 1.477 117.096 115.700 -0.136 0.000 2.402 346 S HA -0.030 4.439 4.470 -0.001 0.000 0.229 346 S C 1.936 176.519 174.600 -0.029 0.000 1.021 346 S CA 1.326 59.474 58.200 -0.087 0.000 0.974 346 S CB -0.427 62.687 63.200 -0.143 0.000 0.800 346 S HN 0.603 nan 8.310 nan 0.000 0.484 347 A N 0.982 123.751 122.820 -0.086 0.000 1.898 347 A HA 0.158 4.477 4.320 -0.001 0.000 0.216 347 A C 1.895 179.571 177.584 0.152 0.000 1.181 347 A CA 1.251 53.267 52.037 -0.035 0.000 0.620 347 A CB -1.051 17.723 19.000 -0.376 0.000 0.819 347 A HN 0.567 nan 8.150 nan 0.000 0.442 348 F N -0.455 119.634 119.950 0.233 0.000 2.206 348 F HA -0.119 4.407 4.527 -0.001 0.000 0.298 348 F C 2.543 178.420 175.800 0.128 0.000 1.090 348 F CA 1.513 59.680 58.000 0.279 0.000 1.323 348 F CB -0.273 38.851 39.000 0.206 0.000 1.028 348 F HN 0.176 nan 8.300 nan 0.000 0.492 349 V N -0.673 119.375 119.914 0.223 0.000 2.358 349 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 349 V C 2.005 178.154 176.094 0.092 0.000 1.047 349 V CA 2.329 64.705 62.300 0.126 0.000 1.035 349 V CB -0.536 31.330 31.823 0.071 0.000 0.658 349 V HN 0.378 nan 8.190 nan 0.000 0.452 350 E N 0.294 120.545 120.200 0.085 0.000 2.058 350 E HA -0.251 4.098 4.350 -0.001 0.000 0.194 350 E C 2.504 179.136 176.600 0.053 0.000 0.997 350 E CA 1.647 58.085 56.400 0.064 0.000 0.801 350 E CB -0.358 29.385 29.700 0.072 0.000 0.746 350 E HN 0.573 nan 8.360 nan 0.000 0.450 351 R N -0.103 120.434 120.500 0.061 0.000 2.117 351 R HA -0.151 4.189 4.340 -0.001 0.000 0.243 351 R C 1.119 177.405 176.300 -0.024 0.000 1.143 351 R CA 1.358 57.435 56.100 -0.039 0.000 0.968 351 R CB -0.580 29.596 30.300 -0.207 0.000 0.863 351 R HN 0.393 nan 8.270 nan 0.000 0.444 352 G N 0.647 109.464 108.800 0.029 0.000 2.249 352 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.273 352 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.273 352 G C -0.171 174.740 174.900 0.018 0.000 1.036 352 G CA 1.184 46.302 45.100 0.031 0.000 0.824 352 G HN 0.570 nan 8.290 nan 0.000 0.504 353 E N -0.412 119.800 120.200 0.021 0.000 4.403 353 E HA 0.706 5.055 4.350 -0.001 0.000 0.229 353 E C 1.128 177.756 176.600 0.046 0.000 1.038 353 E CA -0.476 55.930 56.400 0.010 0.000 1.122 353 E CB -0.075 29.605 29.700 -0.034 0.000 2.128 353 E HN 0.779 nan 8.360 nan 0.000 0.460 354 A N 1.556 124.406 122.820 0.050 0.000 2.511 354 A HA 0.229 4.548 4.320 -0.001 0.000 0.242 354 A C -0.215 177.448 177.584 0.132 0.000 1.069 354 A CA 0.618 52.700 52.037 0.076 0.000 0.763 354 A CB -0.080 18.962 19.000 0.070 0.000 1.001 354 A HN 0.316 nan 8.150 nan 0.000 0.498 355 M N 5.013 124.649 119.600 0.060 0.000 1.999 355 M HA 0.228 4.707 4.480 -0.001 0.000 0.299 355 M C -2.128 174.123 176.300 -0.081 0.000 0.900 355 M CA -1.226 54.068 55.300 -0.010 0.000 0.904 355 M CB 1.590 34.195 32.600 0.008 0.000 1.477 355 M HN 0.567 nan 8.290 nan 0.000 0.403 356 P HA 0.178 nan 4.420 nan 0.000 0.220 356 P C -0.436 176.786 177.300 -0.131 0.000 1.778 356 P CA -0.277 62.749 63.100 -0.124 0.000 0.912 356 P CB -0.009 31.629 31.700 -0.104 0.000 1.861 357 K N 1.065 121.404 120.400 -0.102 0.000 5.705 357 K HA -0.176 4.143 4.320 -0.001 0.000 0.638 357 K C -0.984 175.585 176.600 -0.051 0.000 1.874 357 K CA 0.671 56.926 56.287 -0.053 0.000 1.442 357 K CB -1.362 31.134 32.500 -0.007 0.000 1.832 357 K HN 0.389 nan 8.250 nan 0.000 0.290 358 I N 5.579 126.133 120.570 -0.027 0.000 2.389 358 I HA 0.341 4.510 4.170 -0.001 0.000 0.288 358 I C -0.428 175.759 176.117 0.117 0.000 0.999 358 I CA -1.241 60.084 61.300 0.041 0.000 1.129 358 I CB 1.155 39.163 38.000 0.013 0.000 1.288 358 I HN 0.255 nan 8.210 nan 0.000 0.444 359 L N 5.095 126.378 121.223 0.100 0.000 2.330 359 L HA 0.802 5.141 4.340 -0.001 0.000 0.271 359 L C 0.081 176.872 176.870 -0.132 0.000 1.013 359 L CA -0.777 54.060 54.840 -0.005 0.000 0.816 359 L CB 1.734 43.845 42.059 0.087 0.000 1.287 359 L HN 0.676 nan 8.230 nan 0.000 0.435 360 A N 0.702 123.188 122.820 -0.557 0.000 2.330 360 A HA 0.901 5.220 4.320 -0.001 0.000 0.327 360 A C -0.145 176.948 177.584 -0.818 0.000 1.155 360 A CA -0.091 51.500 52.037 -0.744 0.000 0.803 360 A CB 1.373 19.527 19.000 -1.411 0.000 1.208 360 A HN 0.759 nan 8.150 nan 0.000 0.477 361 G N 0.573 108.892 108.800 -0.802 0.000 2.612 361 G HA2 0.613 4.573 3.960 -0.001 0.000 0.298 361 G HA3 0.613 4.573 3.960 -0.001 0.000 0.298 361 G C -0.990 173.578 174.900 -0.552 0.000 1.336 361 G CA -0.668 43.545 45.100 -1.478 0.000 0.953 361 G HN 0.835 nan 8.290 nan 0.000 0.482 362 R N 0.122 120.376 120.500 -0.410 0.000 2.670 362 R HA 0.726 5.065 4.340 -0.001 0.000 0.289 362 R C -1.327 175.010 176.300 0.062 0.000 0.965 362 R CA -0.818 55.211 56.100 -0.118 0.000 0.899 362 R CB 1.666 31.887 30.300 -0.132 0.000 1.173 362 R HN 0.767 nan 8.270 nan 0.000 0.456 363 Y N -0.401 119.822 120.300 -0.128 0.000 2.725 363 Y HA 0.507 5.056 4.550 -0.001 0.000 0.333 363 Y C 0.441 176.273 175.900 -0.114 0.000 1.242 363 Y CA -0.679 57.369 58.100 -0.086 0.000 1.059 363 Y CB 0.693 39.014 38.460 -0.232 0.000 1.306 363 Y HN 0.723 nan 8.280 nan 0.000 0.454 364 G N 0.848 109.611 108.800 -0.062 0.000 2.212 364 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.267 364 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.267 364 G C -0.537 174.250 174.900 -0.187 0.000 1.002 364 G CA 0.278 45.304 45.100 -0.123 0.000 0.729 364 G HN 0.630 nan 8.290 nan 0.000 0.517 365 L N 0.444 121.572 121.223 -0.159 0.000 2.525 365 L HA 0.467 4.806 4.340 -0.001 0.000 0.278 365 L C 1.793 178.646 176.870 -0.029 0.000 1.218 365 L CA 1.433 56.212 54.840 -0.102 0.000 0.878 365 L CB 0.157 42.178 42.059 -0.063 0.000 1.127 365 L HN 1.282 nan 8.230 nan 0.000 0.492 366 G N 2.882 111.692 108.800 0.016 0.000 2.356 366 G HA2 -0.311 3.649 3.960 -0.001 0.000 0.296 366 G HA3 -0.311 3.649 3.960 -0.001 0.000 0.296 366 G C 0.800 175.744 174.900 0.073 0.000 1.022 366 G CA 0.538 45.695 45.100 0.094 0.000 0.961 366 G HN 0.861 nan 8.290 nan 0.000 0.510 367 S N -2.367 113.383 115.700 0.083 0.000 3.561 367 S HA -0.238 4.231 4.470 -0.001 0.000 0.318 367 S C 1.111 175.703 174.600 -0.013 0.000 1.181 367 S CA 1.856 60.098 58.200 0.070 0.000 0.916 367 S CB -0.629 62.646 63.200 0.125 0.000 0.966 367 S HN 1.489 nan 8.310 nan 0.000 0.550 368 K N 2.552 122.946 120.400 -0.011 0.000 2.485 368 K HA 0.073 4.393 4.320 -0.001 0.000 0.277 368 K C 0.278 176.918 176.600 0.068 0.000 0.990 368 K CA 0.394 56.683 56.287 0.004 0.000 0.994 368 K CB 0.406 32.922 32.500 0.028 0.000 0.906 368 K HN 0.160 nan 8.250 nan 0.000 0.488 369 E N 2.569 122.797 120.200 0.047 0.000 2.481 369 E HA -0.097 4.253 4.350 -0.001 0.000 0.263 369 E C -0.679 176.043 176.600 0.203 0.000 0.992 369 E CA 0.599 57.048 56.400 0.082 0.000 0.938 369 E CB 0.155 29.870 29.700 0.025 0.000 0.933 369 E HN 0.521 nan 8.360 nan 0.000 0.453 370 F N 2.576 122.559 119.950 0.054 0.000 2.564 370 F HA 0.137 4.663 4.527 -0.001 0.000 0.368 370 F C -0.010 175.767 175.800 -0.038 0.000 1.127 370 F CA -0.435 57.596 58.000 0.053 0.000 1.170 370 F CB 0.459 39.541 39.000 0.137 0.000 1.397 370 F HN 0.276 nan 8.300 nan 0.000 0.493 371 S N 3.796 119.228 115.700 -0.445 0.000 2.713 371 S HA 0.542 5.012 4.470 -0.001 0.000 0.283 371 S C -2.141 172.047 174.600 -0.687 0.000 1.161 371 S CA -1.393 56.457 58.200 -0.583 0.000 0.999 371 S CB 1.724 64.702 63.200 -0.370 0.000 1.039 371 S HN 0.325 nan 8.310 nan 0.000 0.548 372 P HA -0.078 nan 4.420 nan 0.000 0.216 372 P C 1.454 178.578 177.300 -0.293 0.000 1.150 372 P CA 1.958 64.852 63.100 -0.344 0.000 0.843 372 P CB -0.213 31.406 31.700 -0.135 0.000 0.787 373 A N -1.451 121.232 122.820 -0.229 0.000 1.969 373 A HA -0.163 4.157 4.320 -0.001 0.000 0.218 373 A C 2.114 179.470 177.584 -0.380 0.000 1.169 373 A CA 1.581 53.441 52.037 -0.297 0.000 0.635 373 A CB -1.269 17.676 19.000 -0.093 0.000 0.810 373 A HN 0.135 nan 8.150 nan 0.000 0.445 374 M N -0.990 118.376 119.600 -0.390 0.000 2.156 374 M HA -0.087 4.392 4.480 -0.001 0.000 0.264 374 M C 2.048 178.092 176.300 -0.426 0.000 1.067 374 M CA 1.124 56.200 55.300 -0.373 0.000 1.131 374 M CB -0.322 32.048 32.600 -0.383 0.000 1.368 374 M HN 0.220 nan 8.290 nan 0.000 0.416 375 V N 0.617 120.180 119.914 -0.584 0.000 2.343 375 V HA -0.264 3.855 4.120 -0.001 0.000 0.247 375 V C 2.382 178.329 176.094 -0.245 0.000 1.051 375 V CA 1.852 63.926 62.300 -0.378 0.000 1.036 375 V CB -0.727 30.933 31.823 -0.273 0.000 0.654 375 V HN 0.387 nan 8.190 nan 0.000 0.451 376 K N 0.650 120.813 120.400 -0.394 0.000 2.074 376 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 376 K C 2.418 178.856 176.600 -0.270 0.000 1.048 376 K CA 2.107 58.131 56.287 -0.438 0.000 0.926 376 K CB -0.960 30.869 32.500 -1.119 0.000 0.713 376 K HN 0.323 nan 8.250 nan 0.000 0.444 377 S N -0.683 114.838 115.700 -0.298 0.000 2.370 377 S HA -0.111 4.358 4.470 -0.001 0.000 0.226 377 S C 1.818 176.270 174.600 -0.247 0.000 1.033 377 S CA 1.413 59.470 58.200 -0.237 0.000 1.011 377 S CB -0.325 62.741 63.200 -0.223 0.000 0.852 377 S HN 0.194 nan 8.310 nan 0.000 0.457 378 V N 0.168 119.929 119.914 -0.255 0.000 2.343 378 V HA -0.156 3.964 4.120 -0.001 0.000 0.247 378 V C 1.881 177.817 176.094 -0.263 0.000 1.051 378 V CA 1.775 63.901 62.300 -0.291 0.000 1.036 378 V CB -0.800 30.901 31.823 -0.203 0.000 0.654 378 V HN 0.582 nan 8.190 nan 0.000 0.451 379 Y N 0.167 120.409 120.300 -0.097 0.000 2.263 379 Y HA -0.167 4.382 4.550 -0.001 0.000 0.292 379 Y C 2.539 178.394 175.900 -0.075 0.000 1.130 379 Y CA 1.365 59.430 58.100 -0.058 0.000 1.179 379 Y CB -0.163 38.269 38.460 -0.047 0.000 0.998 379 Y HN 0.280 nan 8.280 nan 0.000 0.532 380 D N -0.189 120.228 120.400 0.029 0.000 2.144 380 D HA -0.191 4.449 4.640 -0.001 0.000 0.199 380 D C 1.769 178.037 176.300 -0.052 0.000 0.984 380 D CA 1.182 55.169 54.000 -0.022 0.000 0.834 380 D CB -0.529 40.229 40.800 -0.071 0.000 0.955 380 D HN 0.273 nan 8.370 nan 0.000 0.465 381 N N 0.150 118.779 118.700 -0.118 0.000 2.149 381 N HA -0.125 4.615 4.740 -0.001 0.000 0.188 381 N C 1.695 177.163 175.510 -0.070 0.000 1.019 381 N CA 1.051 54.012 53.050 -0.148 0.000 0.857 381 N CB -0.125 38.175 38.487 -0.312 0.000 0.997 381 N HN 0.132 nan 8.380 nan 0.000 0.426 382 M N -0.714 118.871 119.600 -0.025 0.000 2.394 382 M HA -0.027 4.452 4.480 -0.001 0.000 0.264 382 M C 1.596 177.918 176.300 0.036 0.000 1.073 382 M CA 1.023 56.340 55.300 0.027 0.000 1.111 382 M CB 0.002 32.650 32.600 0.081 0.000 1.401 382 M HN 0.282 nan 8.290 nan 0.000 0.448 383 S N -1.088 114.630 115.700 0.031 0.000 2.503 383 S HA 0.197 4.667 4.470 -0.001 0.000 0.215 383 S C 1.352 175.957 174.600 0.008 0.000 1.003 383 S CA 0.156 58.371 58.200 0.026 0.000 0.910 383 S CB -0.046 63.173 63.200 0.031 0.000 0.790 383 S HN 0.421 nan 8.310 nan 0.000 0.514 384 G N 1.361 110.157 108.800 -0.008 0.000 2.992 384 G HA2 0.545 4.504 3.960 -0.001 0.000 0.201 384 G HA3 0.545 4.504 3.960 -0.001 0.000 0.201 384 G C 1.395 176.285 174.900 -0.016 0.000 2.057 384 G CA 0.042 45.133 45.100 -0.015 0.000 0.800 384 G HN 0.485 nan 8.290 nan 0.000 0.700 385 A N -0.364 122.438 122.820 -0.029 0.000 2.019 385 A HA 0.095 4.414 4.320 -0.001 0.000 0.219 385 A C 1.442 179.016 177.584 -0.016 0.000 1.164 385 A CA 1.964 53.987 52.037 -0.024 0.000 0.644 385 A CB -0.598 18.381 19.000 -0.035 0.000 0.805 385 A HN 0.614 nan 8.150 nan 0.000 0.449 386 K N -1.249 119.137 120.400 -0.023 0.000 3.071 386 K HA -0.181 4.138 4.320 -0.001 0.000 0.265 386 K C -0.032 176.576 176.600 0.014 0.000 1.060 386 K CA 0.987 57.272 56.287 -0.003 0.000 0.767 386 K CB -1.430 31.078 32.500 0.012 0.000 1.241 386 K HN 0.652 nan 8.250 nan 0.000 0.486 387 K N 1.464 121.863 120.400 -0.001 0.000 2.451 387 K HA 0.015 4.335 4.320 -0.001 0.000 0.280 387 K C 0.112 176.798 176.600 0.144 0.000 1.020 387 K CA 0.089 56.404 56.287 0.047 0.000 1.008 387 K CB 0.416 32.925 32.500 0.015 0.000 0.917 387 K HN 0.094 nan 8.250 nan 0.000 0.478 388 N N 1.595 120.363 118.700 0.113 0.000 2.477 388 N HA 0.133 4.873 4.740 -0.001 0.000 0.284 388 N C -1.100 174.426 175.510 0.026 0.000 1.182 388 N CA -0.153 52.909 53.050 0.020 0.000 0.949 388 N CB 0.489 38.949 38.487 -0.045 0.000 1.204 388 N HN 0.654 nan 8.380 nan 0.000 0.526 389 H N -0.586 118.414 119.070 -0.117 0.000 2.604 389 H HA -0.216 4.340 4.556 -0.001 0.000 0.321 389 H C -0.485 174.778 175.328 -0.109 0.000 1.132 389 H CA 1.093 57.019 56.048 -0.204 0.000 1.129 389 H CB -1.747 27.931 29.762 -0.140 0.000 1.526 389 H HN 0.371 nan 8.280 nan 0.000 0.415 390 F N -1.225 118.708 119.950 -0.028 0.000 2.364 390 F HA 0.728 5.254 4.527 -0.001 0.000 0.316 390 F C 0.645 176.452 175.800 0.012 0.000 1.133 390 F CA -0.459 57.540 58.000 -0.001 0.000 1.051 390 F CB 0.837 39.828 39.000 -0.015 0.000 1.342 390 F HN 0.037 nan 8.300 nan 0.000 0.507 391 T N -0.860 113.896 114.554 0.337 0.000 2.916 391 T HA 0.773 5.123 4.350 -0.001 0.000 0.292 391 T C -1.038 173.900 174.700 0.398 0.000 1.055 391 T CA -0.769 61.473 62.100 0.238 0.000 1.009 391 T CB 1.486 70.426 68.868 0.120 0.000 1.118 391 T HN 0.937 nan 8.240 nan 0.000 0.497 392 V N -0.960 119.154 119.914 0.334 0.000 2.733 392 V HA 0.856 4.975 4.120 -0.001 0.000 0.306 392 V C 0.918 177.153 176.094 0.234 0.000 1.084 392 V CA -0.301 62.176 62.300 0.295 0.000 0.905 392 V CB 0.618 32.671 31.823 0.383 0.000 1.010 392 V HN 1.621 nan 8.190 nan 0.000 0.424 393 G N 3.421 112.308 108.800 0.146 0.000 2.211 393 G HA2 -0.123 3.836 3.960 -0.001 0.000 0.201 393 G HA3 -0.123 3.836 3.960 -0.001 0.000 0.201 393 G C -0.197 174.753 174.900 0.082 0.000 0.997 393 G CA 0.145 45.316 45.100 0.117 0.000 0.652 393 G HN 1.516 nan 8.290 nan 0.000 0.500 394 I N -2.611 118.008 120.570 0.083 0.000 3.042 394 I HA 0.855 5.024 4.170 -0.001 0.000 0.310 394 I C -0.529 175.625 176.117 0.063 0.000 1.117 394 I CA -1.466 59.876 61.300 0.070 0.000 1.003 394 I CB 2.223 40.264 38.000 0.068 0.000 1.228 394 I HN -0.001 nan 8.210 nan 0.000 0.443 395 E N 2.354 122.591 120.200 0.062 0.000 2.073 395 E HA 0.168 4.517 4.350 -0.001 0.000 0.269 395 E C -1.430 175.203 176.600 0.056 0.000 0.917 395 E CA -0.473 55.957 56.400 0.050 0.000 0.757 395 E CB 0.972 30.694 29.700 0.037 0.000 1.111 395 E HN 0.658 nan 8.360 nan 0.000 0.410 396 D N 4.356 124.787 120.400 0.052 0.000 2.499 396 D HA 0.015 4.654 4.640 -0.001 0.000 0.225 396 D C 0.221 176.543 176.300 0.037 0.000 1.124 396 D CA -0.489 53.541 54.000 0.050 0.000 0.938 396 D CB 0.639 41.469 40.800 0.051 0.000 1.014 396 D HN 0.454 nan 8.370 nan 0.000 0.517 397 D N 1.921 122.341 120.400 0.032 0.000 2.349 397 D HA -0.122 4.517 4.640 -0.001 0.000 0.224 397 D C 1.560 177.871 176.300 0.017 0.000 1.029 397 D CA 0.072 54.083 54.000 0.019 0.000 0.879 397 D CB 0.124 40.930 40.800 0.011 0.000 0.906 397 D HN 0.306 nan 8.370 nan 0.000 0.528 398 V N 0.523 120.451 119.914 0.024 0.000 2.672 398 V HA 0.037 4.156 4.120 -0.001 0.000 0.242 398 V C 1.680 177.784 176.094 0.017 0.000 1.059 398 V CA 1.996 64.307 62.300 0.019 0.000 1.081 398 V CB -0.093 31.743 31.823 0.021 0.000 0.752 398 V HN 0.326 nan 8.190 nan 0.000 0.472 399 T N -3.017 111.550 114.554 0.021 0.000 3.010 399 T HA 0.410 4.759 4.350 -0.001 0.000 0.257 399 T C 1.521 176.236 174.700 0.025 0.000 1.020 399 T CA 0.658 62.769 62.100 0.018 0.000 0.938 399 T CB 0.464 69.340 68.868 0.014 0.000 1.049 399 T HN 1.545 nan 8.240 nan 0.000 0.522 400 G N 2.127 110.945 108.800 0.029 0.000 2.176 400 G HA2 -0.315 3.645 3.960 -0.001 0.000 0.252 400 G HA3 -0.315 3.645 3.960 -0.001 0.000 0.252 400 G C 0.815 175.743 174.900 0.047 0.000 1.024 400 G CA 0.812 45.931 45.100 0.032 0.000 0.755 400 G HN 0.916 nan 8.290 nan 0.000 0.507 401 T N -1.884 112.705 114.554 0.059 0.000 3.100 401 T HA 0.435 4.784 4.350 -0.001 0.000 0.253 401 T C 1.485 176.263 174.700 0.130 0.000 1.118 401 T CA 1.059 63.214 62.100 0.091 0.000 1.058 401 T CB 0.105 69.022 68.868 0.083 0.000 0.953 401 T HN 1.487 nan 8.240 nan 0.000 0.515 402 S N 1.410 117.167 115.700 0.096 0.000 2.601 402 S HA 0.605 5.075 4.470 -0.001 0.000 0.271 402 S C -0.340 174.289 174.600 0.048 0.000 1.305 402 S CA -0.998 57.264 58.200 0.103 0.000 1.022 402 S CB 0.674 63.920 63.200 0.076 0.000 0.940 402 S HN 0.132 nan 8.310 nan 0.000 0.525 403 L N 3.026 124.260 121.223 0.017 0.000 2.312 403 L HA 0.489 4.828 4.340 -0.001 0.000 0.281 403 L C -1.970 174.861 176.870 -0.065 0.000 1.070 403 L CA -1.978 52.804 54.840 -0.097 0.000 0.805 403 L CB 0.331 42.240 42.059 -0.250 0.000 1.174 403 L HN 0.593 nan 8.230 nan 0.000 0.434 404 P HA 0.121 nan 4.420 nan 0.000 0.271 404 P C -0.977 176.280 177.300 -0.072 0.000 1.216 404 P CA -0.115 62.953 63.100 -0.054 0.000 0.771 404 P CB 0.861 32.532 31.700 -0.048 0.000 0.864 405 V N 3.392 123.272 119.914 -0.056 0.000 2.459 405 V HA 0.214 4.333 4.120 -0.001 0.000 0.295 405 V C 0.134 176.194 176.094 -0.057 0.000 1.029 405 V CA -0.374 61.880 62.300 -0.076 0.000 0.874 405 V CB 1.718 33.499 31.823 -0.070 0.000 0.985 405 V HN 0.514 nan 8.190 nan 0.000 0.438 406 D N 3.595 123.956 120.400 -0.066 0.000 2.396 406 D HA 0.205 4.844 4.640 -0.001 0.000 0.225 406 D C 0.719 177.020 176.300 0.002 0.000 1.121 406 D CA -0.157 53.828 54.000 -0.026 0.000 0.853 406 D CB 0.797 41.586 40.800 -0.018 0.000 1.043 406 D HN 0.425 nan 8.370 nan 0.000 0.500 407 N N 2.349 121.055 118.700 0.009 0.000 2.521 407 N HA -0.036 4.703 4.740 -0.001 0.000 0.188 407 N C 1.124 176.665 175.510 0.051 0.000 1.146 407 N CA 0.104 53.169 53.050 0.025 0.000 0.893 407 N CB 0.438 38.930 38.487 0.009 0.000 0.975 407 N HN 0.456 nan 8.380 nan 0.000 0.451 408 A N 0.346 123.201 122.820 0.057 0.000 2.239 408 A HA 0.004 4.324 4.320 -0.001 0.000 0.209 408 A C 0.712 178.350 177.584 0.090 0.000 1.171 408 A CA -0.368 51.702 52.037 0.055 0.000 0.768 408 A CB -0.652 18.376 19.000 0.045 0.000 0.790 408 A HN 0.309 nan 8.150 nan 0.000 0.478 409 F N 0.921 120.838 119.950 -0.055 0.000 2.629 409 F HA 0.258 4.784 4.527 -0.001 0.000 0.369 409 F C 1.026 176.776 175.800 -0.082 0.000 1.125 409 F CA -0.314 57.642 58.000 -0.072 0.000 1.330 409 F CB 0.484 39.420 39.000 -0.108 0.000 1.071 409 F HN 0.313 nan 8.300 nan 0.000 0.595 410 A N 4.711 127.071 122.820 -0.766 0.000 2.466 410 A HA 0.011 4.330 4.320 -0.001 0.000 0.238 410 A C -0.356 176.811 177.584 -0.695 0.000 1.074 410 A CA -0.167 51.490 52.037 -0.634 0.000 0.774 410 A CB -0.009 18.639 19.000 -0.588 0.000 1.015 410 A HN 0.869 nan 8.150 nan 0.000 0.498 411 D N -0.062 120.127 120.400 -0.351 0.000 2.425 411 D HA 0.253 4.892 4.640 -0.001 0.000 0.247 411 D C 1.259 177.376 176.300 -0.305 0.000 1.147 411 D CA 1.073 54.937 54.000 -0.226 0.000 0.879 411 D CB 0.616 41.370 40.800 -0.078 0.000 1.179 411 D HN 0.515 nan 8.370 nan 0.000 0.456 412 T N -0.622 113.784 114.554 -0.247 0.000 3.134 412 T HA 0.111 4.461 4.350 -0.001 0.000 0.260 412 T C 0.732 175.436 174.700 0.006 0.000 1.027 412 T CA -0.366 61.608 62.100 -0.209 0.000 0.913 412 T CB -0.386 68.354 68.868 -0.212 0.000 1.046 412 T HN 0.408 nan 8.240 nan 0.000 0.553 413 T N 1.453 116.032 114.554 0.042 0.000 2.926 413 T HA 0.403 4.752 4.350 -0.001 0.000 0.307 413 T C -2.601 172.130 174.700 0.051 0.000 1.059 413 T CA -1.347 60.789 62.100 0.061 0.000 1.122 413 T CB 0.065 68.966 68.868 0.055 0.000 0.972 413 T HN 0.008 nan 8.240 nan 0.000 0.545 414 P HA 0.117 nan 4.420 nan 0.000 0.268 414 P C 0.025 177.354 177.300 0.050 0.000 1.208 414 P CA -0.416 62.709 63.100 0.042 0.000 0.777 414 P CB 0.385 32.096 31.700 0.020 0.000 0.875 415 K N 1.477 121.907 120.400 0.049 0.000 2.472 415 K HA 0.149 4.468 4.320 -0.001 0.000 0.280 415 K C 1.235 177.871 176.600 0.059 0.000 1.028 415 K CA 1.385 57.702 56.287 0.050 0.000 1.045 415 K CB -0.547 31.979 32.500 0.043 0.000 0.902 415 K HN 0.819 nan 8.250 nan 0.000 0.478 416 G N 2.553 111.392 108.800 0.064 0.000 2.284 416 G HA2 -0.230 3.729 3.960 -0.001 0.000 0.216 416 G HA3 -0.230 3.729 3.960 -0.001 0.000 0.216 416 G C 0.110 175.066 174.900 0.094 0.000 1.009 416 G CA -0.025 45.121 45.100 0.076 0.000 0.625 416 G HN 0.613 nan 8.290 nan 0.000 0.501 417 T N 2.081 116.690 114.554 0.091 0.000 2.867 417 T HA 0.471 4.820 4.350 -0.001 0.000 0.297 417 T C 0.257 175.028 174.700 0.118 0.000 0.989 417 T CA 0.506 62.670 62.100 0.106 0.000 1.159 417 T CB 1.413 70.324 68.868 0.073 0.000 0.928 417 T HN 0.315 nan 8.240 nan 0.000 0.538 418 I N 3.668 124.337 120.570 0.164 0.000 2.336 418 I HA 0.240 4.409 4.170 -0.001 0.000 0.292 418 I C 0.457 176.691 176.117 0.196 0.000 0.991 418 I CA -0.049 61.361 61.300 0.183 0.000 1.227 418 I CB 1.265 39.392 38.000 0.211 0.000 1.366 418 I HN 0.533 nan 8.210 nan 0.000 0.466 419 Q N 5.426 125.323 119.800 0.162 0.000 2.333 419 Q HA 0.659 4.999 4.340 -0.001 0.000 0.267 419 Q C -1.411 174.689 176.000 0.167 0.000 1.012 419 Q CA -0.680 55.203 55.803 0.134 0.000 0.824 419 Q CB 2.396 31.190 28.738 0.093 0.000 1.290 419 Q HN 0.601 nan 8.270 nan 0.000 0.449 420 C N 1.787 121.184 119.300 0.162 0.000 2.634 420 C HA 0.546 5.005 4.460 -0.001 0.000 0.313 420 C C -0.466 174.520 174.990 -0.007 0.000 1.198 420 C CA -0.744 58.354 59.018 0.135 0.000 1.605 420 C CB 1.794 29.669 27.740 0.226 0.000 2.196 420 C HN 0.812 nan 8.230 nan 0.000 0.486 421 Q N 0.684 120.395 119.800 -0.148 0.000 2.375 421 Q HA 0.726 5.065 4.340 -0.001 0.000 0.271 421 Q C -1.758 174.083 176.000 -0.265 0.000 1.074 421 Q CA -0.326 55.362 55.803 -0.191 0.000 0.808 421 Q CB 2.361 31.016 28.738 -0.138 0.000 1.327 421 Q HN 0.622 nan 8.270 nan 0.000 0.441 422 F N 0.532 120.429 119.950 -0.088 0.000 2.539 422 F HA 0.430 4.956 4.527 -0.001 0.000 0.318 422 F C -1.138 174.573 175.800 -0.147 0.000 1.135 422 F CA -0.750 57.207 58.000 -0.071 0.000 0.915 422 F CB 1.090 39.995 39.000 -0.160 0.000 1.176 422 F HN 0.432 nan 8.300 nan 0.000 0.440 423 W N 2.468 123.749 121.300 -0.032 0.000 2.316 423 W HA 0.661 5.320 4.660 -0.001 0.000 0.308 423 W C 0.350 176.952 176.519 0.138 0.000 1.106 423 W CA -0.850 56.520 57.345 0.043 0.000 1.262 423 W CB 1.577 31.115 29.460 0.131 0.000 1.233 423 W HN 0.649 nan 8.180 nan 0.000 0.447 424 G N 2.371 111.353 108.800 0.305 0.000 2.600 424 G HA2 0.690 4.649 3.960 -0.001 0.000 0.303 424 G HA3 0.690 4.649 3.960 -0.001 0.000 0.303 424 G C -2.152 172.986 174.900 0.397 0.000 1.253 424 G CA -0.998 44.288 45.100 0.309 0.000 0.974 424 G HN 0.347 nan 8.290 nan 0.000 0.483 425 L N 1.042 122.436 121.223 0.285 0.000 2.333 425 L HA 0.743 5.082 4.340 -0.001 0.000 0.280 425 L C 0.765 177.738 176.870 0.170 0.000 1.004 425 L CA -0.482 54.513 54.840 0.257 0.000 0.820 425 L CB 1.213 43.344 42.059 0.120 0.000 1.247 425 L HN 0.792 nan 8.230 nan 0.000 0.416 426 G N 3.934 112.831 108.800 0.162 0.000 2.368 426 G HA2 0.380 4.339 3.960 -0.001 0.000 0.233 426 G HA3 0.380 4.339 3.960 -0.001 0.000 0.233 426 G C 0.808 175.767 174.900 0.098 0.000 1.267 426 G CA 0.348 45.526 45.100 0.130 0.000 0.873 426 G HN 2.104 nan 8.290 nan 0.000 0.539 427 A N 1.359 124.228 122.820 0.082 0.000 3.201 427 A HA -0.196 4.123 4.320 -0.001 0.000 0.260 427 A C 1.542 179.158 177.584 0.053 0.000 1.222 427 A CA 1.731 53.803 52.037 0.057 0.000 1.124 427 A CB -1.872 17.157 19.000 0.048 0.000 1.155 427 A HN 1.303 nan 8.150 nan 0.000 0.924 428 D N -0.911 119.531 120.400 0.069 0.000 2.340 428 D HA 0.360 4.999 4.640 -0.001 0.000 0.220 428 D C 1.506 177.845 176.300 0.065 0.000 1.039 428 D CA 1.135 55.175 54.000 0.068 0.000 0.866 428 D CB -0.671 40.184 40.800 0.091 0.000 0.913 428 D HN 1.888 nan 8.370 nan 0.000 0.523 429 G N -0.402 108.431 108.800 0.054 0.000 2.179 429 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.260 429 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.260 429 G C 1.187 176.112 174.900 0.042 0.000 0.977 429 G CA 0.788 45.911 45.100 0.037 0.000 0.641 429 G HN 0.375 nan 8.290 nan 0.000 0.533 430 T N 0.517 115.123 114.554 0.088 0.000 2.652 430 T HA -0.129 4.220 4.350 -0.001 0.000 0.267 430 T C 2.536 177.215 174.700 -0.035 0.000 1.039 430 T CA 1.929 64.097 62.100 0.113 0.000 1.153 430 T CB -0.295 68.701 68.868 0.214 0.000 0.863 430 T HN 0.349 nan 8.240 nan 0.000 0.428 431 V N 1.438 121.298 119.914 -0.091 0.000 2.392 431 V HA -0.131 3.989 4.120 -0.001 0.000 0.249 431 V C 2.859 178.800 176.094 -0.254 0.000 1.059 431 V CA 1.965 64.101 62.300 -0.274 0.000 1.051 431 V CB -1.395 30.186 31.823 -0.403 0.000 0.658 431 V HN 0.624 nan 8.190 nan 0.000 0.455 432 G N -0.493 108.221 108.800 -0.143 0.000 2.418 432 G HA2 -0.186 3.773 3.960 -0.001 0.000 0.217 432 G HA3 -0.186 3.773 3.960 -0.001 0.000 0.217 432 G C 1.747 176.607 174.900 -0.066 0.000 1.158 432 G CA 1.018 46.057 45.100 -0.102 0.000 0.771 432 G HN 0.612 nan 8.290 nan 0.000 0.545 433 A N 1.230 124.022 122.820 -0.046 0.000 1.898 433 A HA -0.045 4.274 4.320 -0.001 0.000 0.216 433 A C 2.284 179.824 177.584 -0.074 0.000 1.181 433 A CA 1.717 53.744 52.037 -0.015 0.000 0.620 433 A CB -0.379 18.631 19.000 0.018 0.000 0.819 433 A HN 0.337 nan 8.150 nan 0.000 0.442 434 N N 0.236 118.831 118.700 -0.174 0.000 2.120 434 N HA -0.143 4.597 4.740 -0.001 0.000 0.188 434 N C 1.610 177.114 175.510 -0.011 0.000 1.024 434 N CA 1.568 54.477 53.050 -0.235 0.000 0.852 434 N CB -0.357 38.021 38.487 -0.181 0.000 1.003 434 N HN 0.540 nan 8.380 nan 0.000 0.424 435 K N 0.673 121.099 120.400 0.043 0.000 2.057 435 K HA -0.058 4.261 4.320 -0.001 0.000 0.207 435 K C 2.049 178.689 176.600 0.066 0.000 1.049 435 K CA 0.912 57.248 56.287 0.080 0.000 0.931 435 K CB 0.049 32.547 32.500 -0.004 0.000 0.714 435 K HN 0.110 nan 8.250 nan 0.000 0.440 436 Q N -0.110 119.715 119.800 0.042 0.000 2.124 436 Q HA -0.082 4.258 4.340 -0.001 0.000 0.202 436 Q C 2.110 178.203 176.000 0.156 0.000 0.977 436 Q CA 1.533 57.378 55.803 0.069 0.000 0.850 436 Q CB -0.185 28.582 28.738 0.049 0.000 0.901 436 Q HN 0.333 nan 8.270 nan 0.000 0.429 437 A N 0.461 123.387 122.820 0.175 0.000 1.930 437 A HA -0.121 4.198 4.320 -0.001 0.000 0.217 437 A C 2.128 179.870 177.584 0.263 0.000 1.175 437 A CA 0.916 53.116 52.037 0.271 0.000 0.627 437 A CB -0.537 18.461 19.000 -0.003 0.000 0.815 437 A HN 0.318 nan 8.150 nan 0.000 0.443 438 I N -1.074 119.642 120.570 0.243 0.000 2.315 438 I HA -0.219 3.950 4.170 -0.001 0.000 0.248 438 I C 2.464 178.719 176.117 0.229 0.000 1.117 438 I CA 1.409 62.900 61.300 0.318 0.000 1.404 438 I CB -0.147 37.967 38.000 0.190 0.000 1.071 438 I HN 0.183 nan 8.210 nan 0.000 0.419 439 K N 1.065 121.560 120.400 0.158 0.000 2.002 439 K HA -0.095 4.224 4.320 -0.001 0.000 0.209 439 K C 1.943 178.612 176.600 0.114 0.000 1.048 439 K CA 1.502 57.854 56.287 0.109 0.000 0.930 439 K CB -0.250 32.292 32.500 0.070 0.000 0.714 439 K HN 0.172 nan 8.250 nan 0.000 0.438 440 I N 0.475 121.134 120.570 0.149 0.000 2.163 440 I HA -0.307 3.862 4.170 -0.001 0.000 0.243 440 I C 2.051 178.252 176.117 0.141 0.000 1.085 440 I CA 1.371 62.758 61.300 0.145 0.000 1.347 440 I CB -0.247 37.888 38.000 0.226 0.000 1.044 440 I HN 0.147 nan 8.210 nan 0.000 0.408 441 I N 0.304 120.978 120.570 0.173 0.000 2.286 441 I HA -0.160 4.009 4.170 -0.001 0.000 0.245 441 I C 2.654 178.825 176.117 0.090 0.000 1.104 441 I CA 1.443 62.796 61.300 0.088 0.000 1.397 441 I CB -0.896 37.059 38.000 -0.075 0.000 1.072 441 I HN 0.263 nan 8.210 nan 0.000 0.417 442 G N 0.497 109.380 108.800 0.139 0.000 2.402 442 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.216 442 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.216 442 G C 1.171 176.089 174.900 0.030 0.000 1.162 442 G CA 0.777 45.934 45.100 0.094 0.000 0.777 442 G HN 0.273 nan 8.290 nan 0.000 0.539 443 D N 0.256 120.678 120.400 0.035 0.000 2.347 443 D HA 0.006 4.645 4.640 -0.001 0.000 0.215 443 D C 1.450 177.750 176.300 -0.000 0.000 0.976 443 D CA 0.458 54.463 54.000 0.009 0.000 0.884 443 D CB 0.085 40.892 40.800 0.012 0.000 0.915 443 D HN 0.261 nan 8.370 nan 0.000 0.526 444 N N -0.282 118.423 118.700 0.008 0.000 2.170 444 N HA 0.029 4.768 4.740 -0.001 0.000 0.222 444 N C 0.171 175.675 175.510 -0.011 0.000 1.218 444 N CA 0.183 53.231 53.050 -0.003 0.000 0.889 444 N CB 1.683 40.172 38.487 0.004 0.000 1.083 444 N HN 0.196 nan 8.380 nan 0.000 0.520 445 T N -3.100 111.445 114.554 -0.015 0.000 2.778 445 T HA 0.338 4.687 4.350 -0.001 0.000 0.293 445 T C -0.452 174.218 174.700 -0.051 0.000 1.144 445 T CA -0.567 61.518 62.100 -0.025 0.000 1.010 445 T CB 2.068 70.925 68.868 -0.018 0.000 1.325 445 T HN -0.285 nan 8.240 nan 0.000 0.515 446 D N 0.401 120.765 120.400 -0.060 0.000 2.340 446 D HA 0.262 4.901 4.640 -0.001 0.000 0.217 446 D C 0.503 176.694 176.300 -0.182 0.000 1.081 446 D CA -0.007 53.922 54.000 -0.119 0.000 0.842 446 D CB 0.090 40.840 40.800 -0.083 0.000 0.934 446 D HN 0.428 nan 8.370 nan 0.000 0.511 447 L N 0.584 121.759 121.223 -0.081 0.000 2.439 447 L HA 0.159 4.498 4.340 -0.001 0.000 0.269 447 L C 0.436 177.253 176.870 -0.087 0.000 1.179 447 L CA -0.307 54.535 54.840 0.004 0.000 0.828 447 L CB 0.296 42.442 42.059 0.146 0.000 1.106 447 L HN -0.204 nan 8.230 nan 0.000 0.467 448 F N 1.151 121.168 119.950 0.112 0.000 2.389 448 F HA 0.506 5.032 4.527 -0.001 0.000 0.337 448 F C 0.599 176.455 175.800 0.094 0.000 1.112 448 F CA -0.162 57.885 58.000 0.079 0.000 1.192 448 F CB 1.065 40.090 39.000 0.042 0.000 1.185 448 F HN 0.443 nan 8.300 nan 0.000 0.552 449 A N 2.886 125.818 122.820 0.187 0.000 2.422 449 A HA 0.635 4.954 4.320 -0.001 0.000 0.302 449 A C -1.250 176.255 177.584 -0.131 0.000 1.041 449 A CA -0.619 51.390 52.037 -0.047 0.000 0.708 449 A CB 1.801 20.879 19.000 0.130 0.000 1.257 449 A HN 0.707 nan 8.150 nan 0.000 0.414 450 Q N 1.446 121.054 119.800 -0.320 0.000 2.372 450 Q HA 0.645 4.985 4.340 -0.001 0.000 0.273 450 Q C -0.770 175.079 176.000 -0.253 0.000 1.078 450 Q CA -0.632 55.058 55.803 -0.188 0.000 0.806 450 Q CB 2.340 30.994 28.738 -0.140 0.000 1.332 450 Q HN 1.123 nan 8.270 nan 0.000 0.435 451 G N 1.884 110.588 108.800 -0.159 0.000 2.591 451 G HA2 0.560 4.519 3.960 -0.001 0.000 0.306 451 G HA3 0.560 4.519 3.960 -0.001 0.000 0.306 451 G C -2.402 172.352 174.900 -0.244 0.000 1.334 451 G CA -0.331 44.599 45.100 -0.282 0.000 0.981 451 G HN 0.523 nan 8.290 nan 0.000 0.491 452 Y N 1.263 121.200 120.300 -0.604 0.000 2.441 452 Y HA 0.692 5.241 4.550 -0.001 0.000 0.334 452 Y C -1.795 173.785 175.900 -0.532 0.000 1.061 452 Y CA -1.462 56.430 58.100 -0.347 0.000 1.032 452 Y CB 1.748 40.117 38.460 -0.153 0.000 1.266 452 Y HN 0.457 nan 8.280 nan 0.000 0.441 453 F N 3.257 122.982 119.950 -0.375 0.000 2.482 453 F HA 0.559 5.086 4.527 -0.001 0.000 0.331 453 F C 0.078 175.652 175.800 -0.377 0.000 1.115 453 F CA -0.779 57.051 58.000 -0.285 0.000 0.955 453 F CB 2.157 40.988 39.000 -0.282 0.000 1.136 453 F HN 0.329 nan 8.300 nan 0.000 0.452 454 S N 2.763 118.404 115.700 -0.099 0.000 2.438 454 S HA 0.521 4.990 4.470 -0.001 0.000 0.293 454 S C -1.110 173.345 174.600 -0.241 0.000 1.141 454 S CA -0.512 57.640 58.200 -0.080 0.000 1.080 454 S CB 0.247 63.434 63.200 -0.022 0.000 0.978 454 S HN 0.395 nan 8.310 nan 0.000 0.479 455 Y N 0.841 121.139 120.300 -0.004 0.000 2.487 455 Y HA 0.359 4.908 4.550 -0.001 0.000 0.337 455 Y C 0.731 176.629 175.900 -0.003 0.000 1.076 455 Y CA -1.022 57.080 58.100 0.004 0.000 1.115 455 Y CB 0.858 39.336 38.460 0.029 0.000 1.235 455 Y HN 0.456 nan 8.280 nan 0.000 0.468 456 D N -0.220 120.279 120.400 0.166 0.000 2.361 456 D HA 0.081 4.721 4.640 -0.001 0.000 0.239 456 D C 0.513 176.897 176.300 0.140 0.000 1.200 456 D CA 0.292 54.362 54.000 0.117 0.000 0.915 456 D CB 1.317 42.190 40.800 0.121 0.000 1.170 456 D HN 0.568 nan 8.370 nan 0.000 0.444 457 S N 0.248 116.019 115.700 0.118 0.000 2.527 457 S HA -0.001 4.468 4.470 -0.001 0.000 0.222 457 S C 0.494 175.171 174.600 0.129 0.000 0.985 457 S CA 0.088 58.358 58.200 0.118 0.000 0.921 457 S CB 0.230 63.492 63.200 0.104 0.000 0.772 457 S HN 0.232 nan 8.310 nan 0.000 0.529 458 K N 2.375 122.857 120.400 0.136 0.000 2.416 458 K HA 0.185 4.505 4.320 -0.001 0.000 0.283 458 K C 0.595 177.280 176.600 0.141 0.000 1.037 458 K CA 0.160 56.535 56.287 0.147 0.000 0.995 458 K CB 0.591 33.180 32.500 0.148 0.000 0.938 458 K HN 0.173 nan 8.250 nan 0.000 0.475 459 K N 0.354 120.841 120.400 0.145 0.000 2.305 459 K HA -0.014 4.305 4.320 -0.001 0.000 0.199 459 K C 0.737 177.403 176.600 0.111 0.000 1.047 459 K CA 0.426 56.788 56.287 0.126 0.000 0.976 459 K CB 0.372 32.958 32.500 0.142 0.000 0.765 459 K HN 0.422 nan 8.250 nan 0.000 0.474 460 S N -1.119 114.647 115.700 0.110 0.000 2.538 460 S HA 0.472 4.942 4.470 -0.001 0.000 0.288 460 S C 0.075 174.730 174.600 0.091 0.000 1.108 460 S CA -0.107 58.145 58.200 0.086 0.000 0.971 460 S CB 1.611 64.847 63.200 0.059 0.000 1.041 460 S HN 0.434 nan 8.310 nan 0.000 0.483 461 G N 2.786 111.643 108.800 0.094 0.000 2.249 461 G HA2 -0.155 3.805 3.960 -0.001 0.000 0.273 461 G HA3 -0.155 3.805 3.960 -0.001 0.000 0.273 461 G C 0.564 175.561 174.900 0.161 0.000 1.036 461 G CA 0.192 45.360 45.100 0.114 0.000 0.824 461 G HN 1.204 nan 8.290 nan 0.000 0.504 462 G N -0.739 108.157 108.800 0.159 0.000 2.572 462 G HA2 0.649 4.609 3.960 -0.001 0.000 0.261 462 G HA3 0.649 4.609 3.960 -0.001 0.000 0.261 462 G C 0.264 175.277 174.900 0.188 0.000 1.197 462 G CA -0.207 44.995 45.100 0.169 0.000 0.870 462 G HN 1.456 nan 8.290 nan 0.000 0.548 463 I N -0.961 119.683 120.570 0.124 0.000 2.385 463 I HA 0.653 4.822 4.170 -0.001 0.000 0.294 463 I C -0.159 175.927 176.117 -0.053 0.000 0.988 463 I CA -0.185 61.144 61.300 0.049 0.000 1.265 463 I CB 2.008 39.869 38.000 -0.232 0.000 1.388 463 I HN 0.280 nan 8.210 nan 0.000 0.480 464 T N 8.149 122.664 114.554 -0.065 0.000 2.829 464 T HA 0.629 4.978 4.350 -0.001 0.000 0.280 464 T C -0.626 173.906 174.700 -0.280 0.000 0.999 464 T CA -0.248 61.731 62.100 -0.201 0.000 0.983 464 T CB 1.311 70.058 68.868 -0.203 0.000 0.968 464 T HN 0.695 nan 8.240 nan 0.000 0.446 465 I N 1.125 121.472 120.570 -0.372 0.000 2.447 465 I HA 0.650 4.819 4.170 -0.001 0.000 0.287 465 I C -0.612 175.348 176.117 -0.262 0.000 1.023 465 I CA -0.096 60.908 61.300 -0.492 0.000 1.083 465 I CB 1.735 39.135 38.000 -1.001 0.000 1.245 465 I HN 0.444 nan 8.210 nan 0.000 0.434 466 S N 5.191 120.790 115.700 -0.168 0.000 2.541 466 S HA 0.529 4.998 4.470 -0.001 0.000 0.283 466 S C -0.889 173.567 174.600 -0.241 0.000 1.196 466 S CA -0.335 57.816 58.200 -0.082 0.000 1.062 466 S CB 0.569 63.834 63.200 0.109 0.000 1.009 466 S HN 0.689 nan 8.310 nan 0.000 0.502 467 H N 1.471 120.426 119.070 -0.191 0.000 2.708 467 H HA 0.513 5.069 4.556 -0.001 0.000 0.320 467 H C -0.740 174.486 175.328 -0.170 0.000 0.991 467 H CA -0.390 55.597 56.048 -0.101 0.000 1.243 467 H CB 0.510 30.224 29.762 -0.081 0.000 1.446 467 H HN 0.327 nan 8.280 nan 0.000 0.502 468 L N 3.242 124.476 121.223 0.018 0.000 2.346 468 L HA 0.667 5.006 4.340 -0.001 0.000 0.274 468 L C -0.051 176.742 176.870 -0.127 0.000 1.007 468 L CA -0.853 53.925 54.840 -0.104 0.000 0.818 468 L CB 2.226 44.274 42.059 -0.017 0.000 1.284 468 L HN 0.470 nan 8.230 nan 0.000 0.424 469 R N 2.059 122.347 120.500 -0.353 0.000 2.686 469 R HA 0.704 5.044 4.340 -0.001 0.000 0.283 469 R C -1.729 174.232 176.300 -0.566 0.000 0.978 469 R CA -0.627 55.315 56.100 -0.263 0.000 0.897 469 R CB 2.578 32.791 30.300 -0.145 0.000 1.192 469 R HN 0.326 nan 8.270 nan 0.000 0.457 470 F N 0.082 120.089 119.950 0.095 0.000 2.547 470 F HA 0.676 5.202 4.527 -0.001 0.000 0.316 470 F C 0.506 176.372 175.800 0.110 0.000 1.121 470 F CA -0.606 57.458 58.000 0.107 0.000 0.911 470 F CB 2.767 41.827 39.000 0.100 0.000 1.179 470 F HN 0.629 nan 8.300 nan 0.000 0.443 471 G N 1.622 110.613 108.800 0.317 0.000 2.692 471 G HA2 0.422 4.381 3.960 -0.001 0.000 0.291 471 G HA3 0.422 4.381 3.960 -0.001 0.000 0.291 471 G C -0.393 174.702 174.900 0.326 0.000 1.423 471 G CA -0.697 44.557 45.100 0.257 0.000 0.843 471 G HN 0.615 nan 8.290 nan 0.000 0.486 472 E N -0.486 119.863 120.200 0.247 0.000 2.299 472 E HA 0.052 4.402 4.350 -0.001 0.000 0.193 472 E C 0.306 177.136 176.600 0.384 0.000 0.998 472 E CA 0.472 57.035 56.400 0.272 0.000 0.851 472 E CB 0.210 30.007 29.700 0.161 0.000 0.795 472 E HN 0.030 nan 8.360 nan 0.000 0.492 473 K N 0.982 121.509 120.400 0.212 0.000 2.166 473 K HA 0.371 4.691 4.320 -0.001 0.000 0.245 473 K C -2.599 173.701 176.600 -0.500 0.000 0.967 473 K CA -3.226 53.041 56.287 -0.033 0.000 0.863 473 K CB 0.304 32.772 32.500 -0.053 0.000 1.107 473 K HN -0.242 nan 8.250 nan 0.000 0.436 474 P HA 0.082 nan 4.420 nan 0.000 0.264 474 P C -0.366 176.655 177.300 -0.465 0.000 1.183 474 P CA 0.283 62.648 63.100 -1.225 0.000 0.763 474 P CB 0.242 31.491 31.700 -0.753 0.000 0.807 475 I N 3.562 123.962 120.570 -0.283 0.000 2.287 475 I HA 0.121 4.290 4.170 -0.001 0.000 0.290 475 I C 1.271 177.335 176.117 -0.089 0.000 1.069 475 I CA 0.214 61.439 61.300 -0.125 0.000 1.237 475 I CB 0.335 38.293 38.000 -0.071 0.000 1.418 475 I HN 0.274 nan 8.210 nan 0.000 0.481 476 Q N 3.105 122.869 119.800 -0.060 0.000 2.246 476 Q HA 0.160 4.499 4.340 -0.001 0.000 0.202 476 Q C 0.240 176.251 176.000 0.019 0.000 0.883 476 Q CA -0.052 55.749 55.803 -0.004 0.000 0.952 476 Q CB 0.435 29.189 28.738 0.026 0.000 1.078 476 Q HN 0.565 nan 8.270 nan 0.000 0.493 477 S N 2.117 117.768 115.700 -0.082 0.000 4.139 477 S HA 0.021 4.490 4.470 -0.001 0.000 0.215 477 S C 0.592 174.947 174.600 -0.409 0.000 1.390 477 S CA -0.169 57.858 58.200 -0.289 0.000 0.885 477 S CB -0.227 62.665 63.200 -0.514 0.000 1.560 477 S HN 0.279 nan 8.310 nan 0.000 0.449 478 T N 1.266 115.797 114.554 -0.038 0.000 4.309 478 T HA 0.378 4.727 4.350 -0.001 0.000 0.242 478 T C -0.245 174.493 174.700 0.064 0.000 1.142 478 T CA -0.538 61.559 62.100 -0.006 0.000 1.042 478 T CB -1.220 67.715 68.868 0.112 0.000 1.366 478 T HN 0.570 nan 8.240 nan 0.000 0.942 479 Y N -1.583 118.634 120.300 -0.139 0.000 2.677 479 Y HA 0.635 5.184 4.550 -0.001 0.000 0.334 479 Y C -1.001 174.744 175.900 -0.258 0.000 1.196 479 Y CA -2.129 55.860 58.100 -0.184 0.000 1.059 479 Y CB 0.681 39.080 38.460 -0.102 0.000 1.315 479 Y HN 0.044 nan 8.280 nan 0.000 0.455 480 L N 1.831 122.938 121.223 -0.192 0.000 2.472 480 L HA 0.346 4.685 4.340 -0.001 0.000 0.260 480 L C -0.037 176.789 176.870 -0.073 0.000 1.209 480 L CA -1.170 53.432 54.840 -0.397 0.000 0.817 480 L CB 0.531 42.295 42.059 -0.491 0.000 1.106 480 L HN 0.534 nan 8.230 nan 0.000 0.479 481 V N 1.808 121.794 119.914 0.120 0.000 2.521 481 V HA -0.041 4.078 4.120 -0.001 0.000 0.286 481 V C 0.616 176.834 176.094 0.207 0.000 1.034 481 V CA 0.193 62.606 62.300 0.188 0.000 1.045 481 V CB 0.762 32.720 31.823 0.226 0.000 0.974 481 V HN 0.957 nan 8.190 nan 0.000 0.480 482 N N 3.588 122.396 118.700 0.179 0.000 2.181 482 N HA 0.139 4.878 4.740 -0.001 0.000 0.207 482 N C 0.369 175.940 175.510 0.103 0.000 1.182 482 N CA -0.167 52.966 53.050 0.138 0.000 0.893 482 N CB 0.516 39.073 38.487 0.116 0.000 1.032 482 N HN 0.547 nan 8.380 nan 0.000 0.513 483 R N 0.581 121.142 120.500 0.102 0.000 2.576 483 R HA 0.570 4.909 4.340 -0.001 0.000 0.283 483 R C -1.315 175.035 176.300 0.083 0.000 1.493 483 R CA -0.442 55.703 56.100 0.074 0.000 1.170 483 R CB 1.610 31.942 30.300 0.053 0.000 1.189 483 R HN 0.191 nan 8.270 nan 0.000 0.542 484 A N 1.318 124.188 122.820 0.084 0.000 2.304 484 A HA 0.271 4.590 4.320 -0.001 0.000 0.301 484 A C 0.303 177.952 177.584 0.108 0.000 1.132 484 A CA -0.520 51.576 52.037 0.097 0.000 0.819 484 A CB 0.620 19.672 19.000 0.088 0.000 1.094 484 A HN 0.624 nan 8.150 nan 0.000 0.492 485 D N -0.820 119.666 120.400 0.143 0.000 2.277 485 D HA 0.047 4.687 4.640 -0.001 0.000 0.209 485 D C -0.660 175.777 176.300 0.227 0.000 0.970 485 D CA 1.564 55.664 54.000 0.167 0.000 0.874 485 D CB 0.264 41.169 40.800 0.174 0.000 0.982 485 D HN 0.561 nan 8.370 nan 0.000 0.504 486 Y N 0.931 121.277 120.300 0.075 0.000 2.406 486 Y HA 0.393 4.942 4.550 -0.001 0.000 0.340 486 Y C -1.396 174.503 175.900 -0.001 0.000 0.975 486 Y CA -0.714 57.424 58.100 0.064 0.000 1.056 486 Y CB 1.637 40.133 38.460 0.060 0.000 1.210 486 Y HN -0.397 nan 8.280 nan 0.000 0.448 487 V N 5.301 125.039 119.914 -0.293 0.000 2.577 487 V HA 0.854 4.973 4.120 -0.001 0.000 0.303 487 V C -0.740 175.217 176.094 -0.228 0.000 1.042 487 V CA -0.599 61.605 62.300 -0.160 0.000 0.872 487 V CB 1.427 33.259 31.823 0.015 0.000 0.998 487 V HN 0.921 nan 8.190 nan 0.000 0.423 488 A N 3.147 125.872 122.820 -0.160 0.000 2.343 488 A HA 0.689 5.008 4.320 -0.001 0.000 0.316 488 A C -0.606 177.129 177.584 0.252 0.000 1.104 488 A CA -0.440 51.621 52.037 0.039 0.000 0.768 488 A CB 1.449 20.574 19.000 0.208 0.000 1.213 488 A HN 0.969 nan 8.150 nan 0.000 0.456 489 C N 3.078 122.566 119.300 0.313 0.000 2.239 489 C HA 0.522 4.982 4.460 -0.001 0.000 0.323 489 C C 0.894 176.102 174.990 0.363 0.000 1.205 489 C CA -0.330 58.893 59.018 0.341 0.000 1.584 489 C CB -1.482 26.448 27.740 0.316 0.000 2.201 489 C HN 1.008 nan 8.230 nan 0.000 0.475 490 H N 2.959 122.173 119.070 0.241 0.000 2.553 490 H HA 0.118 4.673 4.556 -0.001 0.000 0.265 490 H C 0.613 175.950 175.328 0.015 0.000 0.964 490 H CA 0.168 56.296 56.048 0.133 0.000 1.156 490 H CB 0.323 30.197 29.762 0.186 0.000 1.411 490 H HN 0.693 nan 8.280 nan 0.000 0.558 491 N N 1.038 119.782 118.700 0.072 0.000 2.540 491 N HA 0.066 4.806 4.740 -0.001 0.000 0.275 491 N C -2.170 173.211 175.510 -0.215 0.000 1.053 491 N CA -2.091 50.824 53.050 -0.225 0.000 0.876 491 N CB 1.769 39.856 38.487 -0.666 0.000 1.284 491 N HN -0.135 nan 8.380 nan 0.000 0.518 492 P HA -0.133 nan 4.420 nan 0.000 0.218 492 P C 1.058 178.393 177.300 0.059 0.000 1.148 492 P CA 0.930 63.933 63.100 -0.162 0.000 0.822 492 P CB 0.174 31.611 31.700 -0.437 0.000 0.784 493 A N -0.995 121.823 122.820 -0.003 0.000 2.076 493 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 493 A C 2.082 179.799 177.584 0.221 0.000 1.160 493 A CA 0.999 53.099 52.037 0.106 0.000 0.653 493 A CB -1.790 17.235 19.000 0.042 0.000 0.801 493 A HN 0.258 nan 8.150 nan 0.000 0.455 494 Y N -1.794 118.633 120.300 0.210 0.000 2.516 494 Y HA -0.078 4.471 4.550 -0.001 0.000 0.291 494 Y C 2.412 178.389 175.900 0.128 0.000 1.131 494 Y CA 0.089 58.342 58.100 0.255 0.000 1.281 494 Y CB -0.058 38.600 38.460 0.331 0.000 1.013 494 Y HN 0.164 nan 8.280 nan 0.000 0.554 495 V N 0.006 120.088 119.914 0.281 0.000 2.282 495 V HA -0.294 3.825 4.120 -0.001 0.000 0.249 495 V C 2.129 178.274 176.094 0.084 0.000 1.057 495 V CA 2.312 64.728 62.300 0.193 0.000 1.032 495 V CB -0.842 31.182 31.823 0.335 0.000 0.645 495 V HN 0.536 nan 8.190 nan 0.000 0.447 496 G N -1.424 107.427 108.800 0.084 0.000 3.448 496 G HA2 0.251 4.210 3.960 -0.001 0.000 0.261 496 G HA3 0.251 4.210 3.960 -0.001 0.000 0.261 496 G C 0.958 175.823 174.900 -0.057 0.000 1.173 496 G CA 0.532 45.630 45.100 -0.003 0.000 0.835 496 G HN 0.678 nan 8.290 nan 0.000 0.534 497 I N -5.440 115.068 120.570 -0.104 0.000 4.706 497 I HA 0.487 4.656 4.170 -0.001 0.000 0.321 497 I C -0.170 175.644 176.117 -0.504 0.000 1.249 497 I CA -0.525 60.578 61.300 -0.329 0.000 1.321 497 I CB 0.595 38.345 38.000 -0.417 0.000 1.342 497 I HN -0.108 nan 8.210 nan 0.000 0.463 498 Y N 1.668 121.951 120.300 -0.027 0.000 2.549 498 Y HA 0.466 5.015 4.550 -0.001 0.000 0.339 498 Y C -0.194 175.588 175.900 -0.196 0.000 1.053 498 Y CA -0.892 57.157 58.100 -0.084 0.000 1.105 498 Y CB 0.931 39.333 38.460 -0.097 0.000 1.258 498 Y HN -0.125 nan 8.280 nan 0.000 0.478 499 D N 2.214 122.643 120.400 0.048 0.000 2.767 499 D HA 0.062 4.701 4.640 -0.001 0.000 0.231 499 D C 1.118 177.306 176.300 -0.188 0.000 1.105 499 D CA 0.314 54.279 54.000 -0.058 0.000 1.024 499 D CB -0.179 40.636 40.800 0.025 0.000 1.123 499 D HN 0.437 nan 8.370 nan 0.000 0.470 500 I N 0.543 120.808 120.570 -0.510 0.000 2.315 500 I HA -0.253 3.917 4.170 -0.001 0.000 0.251 500 I C 1.518 177.369 176.117 -0.443 0.000 1.125 500 I CA 0.687 61.467 61.300 -0.867 0.000 1.392 500 I CB -0.400 37.069 38.000 -0.883 0.000 1.065 500 I HN 0.329 nan 8.210 nan 0.000 0.424 501 L N 0.553 121.552 121.223 -0.373 0.000 2.667 501 L HA 0.229 4.568 4.340 -0.001 0.000 0.232 501 L C 1.087 177.871 176.870 -0.143 0.000 1.138 501 L CA -0.068 54.580 54.840 -0.321 0.000 0.921 501 L CB -1.001 40.790 42.059 -0.446 0.000 1.180 501 L HN 0.210 nan 8.230 nan 0.000 0.487 502 E N 0.168 120.329 120.200 -0.064 0.000 2.585 502 E HA 0.161 4.510 4.350 -0.001 0.000 0.252 502 E C 1.264 177.878 176.600 0.024 0.000 0.981 502 E CA 0.920 57.319 56.400 -0.002 0.000 0.943 502 E CB 0.307 30.038 29.700 0.051 0.000 0.923 502 E HN 0.482 nan 8.360 nan 0.000 0.486 503 G N 4.435 113.242 108.800 0.013 0.000 2.245 503 G HA2 -0.344 3.616 3.960 -0.001 0.000 0.264 503 G HA3 -0.344 3.616 3.960 -0.001 0.000 0.264 503 G C 0.540 175.454 174.900 0.023 0.000 0.985 503 G CA 0.224 45.339 45.100 0.026 0.000 0.625 503 G HN 0.678 nan 8.290 nan 0.000 0.536 504 I N 1.820 122.392 120.570 0.003 0.000 2.906 504 I HA 0.114 4.283 4.170 -0.001 0.000 0.302 504 I C 1.005 177.136 176.117 0.023 0.000 1.220 504 I CA 0.260 61.566 61.300 0.009 0.000 1.441 504 I CB 0.265 38.246 38.000 -0.032 0.000 1.336 504 I HN 0.206 nan 8.210 nan 0.000 0.565 505 K N 5.765 126.193 120.400 0.046 0.000 2.319 505 K HA 0.053 4.372 4.320 -0.001 0.000 0.265 505 K C -0.436 176.195 176.600 0.052 0.000 1.000 505 K CA -0.545 55.771 56.287 0.049 0.000 0.943 505 K CB 0.198 32.735 32.500 0.062 0.000 0.950 505 K HN 0.507 nan 8.250 nan 0.000 0.485 506 D N 0.846 121.274 120.400 0.047 0.000 2.487 506 D HA 0.057 4.696 4.640 -0.001 0.000 0.243 506 D C 1.017 177.361 176.300 0.074 0.000 1.154 506 D CA 1.219 55.252 54.000 0.054 0.000 0.876 506 D CB 0.468 41.295 40.800 0.045 0.000 1.161 506 D HN 0.737 nan 8.370 nan 0.000 0.478 507 G N 2.115 110.969 108.800 0.091 0.000 2.198 507 G HA2 -0.168 3.791 3.960 -0.001 0.000 0.260 507 G HA3 -0.168 3.791 3.960 -0.001 0.000 0.260 507 G C 0.752 175.732 174.900 0.133 0.000 1.025 507 G CA 0.092 45.261 45.100 0.116 0.000 0.769 507 G HN 0.779 nan 8.290 nan 0.000 0.507 508 G N -1.140 107.739 108.800 0.131 0.000 2.588 508 G HA2 0.696 4.655 3.960 -0.001 0.000 0.281 508 G HA3 0.696 4.655 3.960 -0.001 0.000 0.281 508 G C 0.336 175.357 174.900 0.201 0.000 1.236 508 G CA 0.641 45.831 45.100 0.151 0.000 0.969 508 G HN 1.344 nan 8.290 nan 0.000 0.504 509 T N -2.074 112.613 114.554 0.222 0.000 2.855 509 T HA 0.599 4.948 4.350 -0.001 0.000 0.281 509 T C -1.374 173.441 174.700 0.191 0.000 1.007 509 T CA -0.714 61.550 62.100 0.274 0.000 1.009 509 T CB 1.245 70.324 68.868 0.352 0.000 0.983 509 T HN 0.477 nan 8.240 nan 0.000 0.455 510 F N 5.590 125.609 119.950 0.114 0.000 2.507 510 F HA 0.637 5.163 4.527 -0.001 0.000 0.328 510 F C -1.065 174.818 175.800 0.139 0.000 1.136 510 F CA -1.544 56.490 58.000 0.057 0.000 0.930 510 F CB 1.527 40.622 39.000 0.158 0.000 1.166 510 F HN 0.606 nan 8.300 nan 0.000 0.436 511 V N 8.264 128.009 119.914 -0.281 0.000 2.459 511 V HA 0.777 4.897 4.120 -0.001 0.000 0.295 511 V C -2.015 173.802 176.094 -0.463 0.000 1.029 511 V CA -0.608 61.502 62.300 -0.317 0.000 0.874 511 V CB 1.427 33.192 31.823 -0.097 0.000 0.985 511 V HN 0.833 nan 8.190 nan 0.000 0.438 512 L N 5.661 126.570 121.223 -0.524 0.000 2.346 512 L HA 0.574 4.913 4.340 -0.001 0.000 0.274 512 L C -0.258 176.476 176.870 -0.226 0.000 1.007 512 L CA -0.223 54.398 54.840 -0.365 0.000 0.818 512 L CB 1.830 43.672 42.059 -0.363 0.000 1.284 512 L HN 0.904 nan 8.230 nan 0.000 0.424 513 N N 3.245 121.852 118.700 -0.155 0.000 2.439 513 N HA 0.570 5.310 4.740 -0.001 0.000 0.249 513 N C -1.345 173.969 175.510 -0.326 0.000 1.003 513 N CA 0.152 53.095 53.050 -0.179 0.000 0.942 513 N CB 0.691 39.112 38.487 -0.110 0.000 1.115 513 N HN 0.810 nan 8.380 nan 0.000 0.505 514 S N 2.883 118.335 115.700 -0.412 0.000 2.597 514 S HA 0.325 4.794 4.470 -0.001 0.000 0.274 514 S C -2.887 171.390 174.600 -0.538 0.000 1.132 514 S CA -0.798 56.969 58.200 -0.723 0.000 0.835 514 S CB 1.953 64.302 63.200 -1.418 0.000 1.092 514 S HN 0.418 nan 8.310 nan 0.000 0.457 515 P HA 0.253 nan 4.420 nan 0.000 0.257 515 P C -0.253 177.030 177.300 -0.028 0.000 1.281 515 P CA 0.103 63.066 63.100 -0.229 0.000 0.826 515 P CB -0.271 31.342 31.700 -0.145 0.000 1.237 516 W N 0.828 122.115 121.300 -0.021 0.000 1.992 516 W HA 0.283 4.942 4.660 -0.001 0.000 0.449 516 W C 1.140 177.754 176.519 0.158 0.000 0.617 516 W CA -0.790 56.580 57.345 0.041 0.000 2.341 516 W CB -1.537 27.935 29.460 0.020 0.000 1.156 516 W HN 0.013 nan 8.180 nan 0.000 0.538 517 S N 0.611 116.491 115.700 0.300 0.000 2.400 517 S HA -0.116 4.353 4.470 -0.001 0.000 0.232 517 S C 1.245 176.078 174.600 0.389 0.000 1.025 517 S CA 1.083 59.465 58.200 0.303 0.000 0.993 517 S CB 0.106 63.406 63.200 0.168 0.000 0.808 517 S HN 0.234 nan 8.310 nan 0.000 0.478 518 S N 1.268 117.169 115.700 0.334 0.000 2.632 518 S HA 0.295 4.764 4.470 -0.001 0.000 0.267 518 S C 0.770 175.624 174.600 0.423 0.000 1.276 518 S CA -0.605 57.764 58.200 0.282 0.000 0.998 518 S CB 0.812 64.133 63.200 0.202 0.000 0.953 518 S HN 0.177 nan 8.310 nan 0.000 0.547 519 L N 1.290 122.697 121.223 0.307 0.000 2.291 519 L HA -0.006 4.333 4.340 -0.001 0.000 0.214 519 L C 2.184 179.257 176.870 0.338 0.000 1.120 519 L CA 1.509 56.596 54.840 0.412 0.000 0.799 519 L CB -0.831 41.365 42.059 0.228 0.000 0.925 519 L HN 0.905 nan 8.230 nan 0.000 0.446 520 E N -2.263 118.077 120.200 0.234 0.000 2.158 520 E HA -0.158 4.191 4.350 -0.001 0.000 0.191 520 E C 1.388 178.090 176.600 0.170 0.000 0.982 520 E CA 1.043 57.544 56.400 0.168 0.000 0.823 520 E CB -0.283 29.486 29.700 0.115 0.000 0.766 520 E HN 0.313 nan 8.360 nan 0.000 0.468 521 D N 0.495 121.040 120.400 0.242 0.000 2.103 521 D HA -0.095 4.544 4.640 -0.001 0.000 0.199 521 D C 1.774 178.243 176.300 0.281 0.000 0.978 521 D CA 1.145 55.314 54.000 0.282 0.000 0.829 521 D CB -0.132 40.883 40.800 0.358 0.000 0.981 521 D HN 0.137 nan 8.370 nan 0.000 0.464 522 M N 0.570 120.392 119.600 0.370 0.000 2.279 522 M HA -0.114 4.365 4.480 -0.001 0.000 0.264 522 M C 0.900 177.289 176.300 0.149 0.000 1.062 522 M CA 1.348 56.847 55.300 0.331 0.000 1.099 522 M CB -0.029 32.859 32.600 0.480 0.000 1.394 522 M HN -0.163 nan 8.290 nan 0.000 0.426 523 D N -0.617 119.886 120.400 0.172 0.000 2.277 523 D HA -0.106 4.533 4.640 -0.001 0.000 0.208 523 D C 1.857 178.086 176.300 -0.118 0.000 0.962 523 D CA 0.796 54.830 54.000 0.056 0.000 0.865 523 D CB -0.065 40.826 40.800 0.151 0.000 0.939 523 D HN 0.453 nan 8.370 nan 0.000 0.510 524 K N -0.354 119.937 120.400 -0.181 0.000 2.137 524 K HA -0.070 4.250 4.320 -0.001 0.000 0.202 524 K C 1.188 177.374 176.600 -0.691 0.000 1.052 524 K CA 0.840 56.876 56.287 -0.418 0.000 0.961 524 K CB 0.203 32.407 32.500 -0.492 0.000 0.741 524 K HN 0.154 nan 8.250 nan 0.000 0.452 525 H N -1.060 117.665 119.070 -0.574 0.000 2.750 525 H HA 0.167 4.722 4.556 -0.001 0.000 0.263 525 H C -0.648 174.313 175.328 -0.612 0.000 0.964 525 H CA -0.349 55.192 56.048 -0.846 0.000 1.205 525 H CB 0.570 29.101 29.762 -2.053 0.000 1.454 525 H HN -0.030 nan 8.280 nan 0.000 0.503 526 L N 3.419 124.443 121.223 -0.333 0.000 2.278 526 L HA 0.283 4.622 4.340 -0.001 0.000 0.287 526 L C -2.248 174.443 176.870 -0.299 0.000 1.072 526 L CA -2.311 52.382 54.840 -0.246 0.000 0.819 526 L CB 0.571 42.454 42.059 -0.293 0.000 1.176 526 L HN -0.078 nan 8.230 nan 0.000 0.435 527 P HA -0.026 nan 4.420 nan 0.000 0.266 527 P C 0.591 177.722 177.300 -0.280 0.000 1.186 527 P CA 0.220 63.189 63.100 -0.219 0.000 0.767 527 P CB 0.527 32.130 31.700 -0.162 0.000 0.820 528 S N 1.655 117.208 115.700 -0.245 0.000 2.442 528 S HA -0.119 4.350 4.470 -0.001 0.000 0.236 528 S C 2.066 176.525 174.600 -0.235 0.000 1.007 528 S CA 1.335 59.381 58.200 -0.257 0.000 0.965 528 S CB -1.357 61.735 63.200 -0.181 0.000 0.773 528 S HN 0.559 nan 8.310 nan 0.000 0.504 529 G N 1.360 110.040 108.800 -0.200 0.000 2.403 529 G HA2 0.050 4.010 3.960 -0.001 0.000 0.216 529 G HA3 0.050 4.010 3.960 -0.001 0.000 0.216 529 G C 1.380 176.153 174.900 -0.213 0.000 1.154 529 G CA 0.722 45.718 45.100 -0.174 0.000 0.784 529 G HN 0.579 nan 8.290 nan 0.000 0.538 530 I N -0.059 120.352 120.570 -0.266 0.000 2.500 530 I HA -0.020 4.149 4.170 -0.001 0.000 0.252 530 I C 2.711 178.595 176.117 -0.388 0.000 1.142 530 I CA 0.734 61.848 61.300 -0.311 0.000 1.451 530 I CB 0.033 37.865 38.000 -0.281 0.000 1.093 530 I HN 0.061 nan 8.210 nan 0.000 0.430 531 K N 0.295 120.378 120.400 -0.529 0.000 2.097 531 K HA -0.175 4.144 4.320 -0.001 0.000 0.205 531 K C 2.243 178.717 176.600 -0.210 0.000 1.050 531 K CA 1.117 57.001 56.287 -0.672 0.000 0.938 531 K CB -0.086 31.709 32.500 -1.175 0.000 0.718 531 K HN 0.055 nan 8.250 nan 0.000 0.442 532 R N 0.436 120.821 120.500 -0.191 0.000 2.080 532 R HA -0.099 4.240 4.340 -0.001 0.000 0.236 532 R C 2.260 178.521 176.300 -0.065 0.000 1.137 532 R CA 2.073 58.122 56.100 -0.084 0.000 0.943 532 R CB -0.611 29.638 30.300 -0.085 0.000 0.846 532 R HN 0.118 nan 8.270 nan 0.000 0.431 533 T N 0.368 114.850 114.554 -0.120 0.000 2.812 533 T HA -0.015 4.334 4.350 -0.001 0.000 0.264 533 T C 1.764 176.410 174.700 -0.091 0.000 1.042 533 T CA 1.313 63.351 62.100 -0.104 0.000 1.140 533 T CB -0.138 68.641 68.868 -0.148 0.000 0.870 533 T HN 0.134 nan 8.240 nan 0.000 0.445 534 I N 1.263 121.745 120.570 -0.146 0.000 2.335 534 I HA -0.205 3.964 4.170 -0.001 0.000 0.251 534 I C 2.705 178.734 176.117 -0.147 0.000 1.129 534 I CA 1.125 62.319 61.300 -0.177 0.000 1.402 534 I CB -0.310 37.494 38.000 -0.327 0.000 1.069 534 I HN 0.209 nan 8.210 nan 0.000 0.424 535 A N 0.582 123.379 122.820 -0.038 0.000 1.887 535 A HA -0.097 4.223 4.320 -0.001 0.000 0.212 535 A C 1.958 179.628 177.584 0.143 0.000 1.198 535 A CA 1.357 53.486 52.037 0.153 0.000 0.628 535 A CB -0.664 18.490 19.000 0.256 0.000 0.847 535 A HN 0.375 nan 8.150 nan 0.000 0.449 536 N N -0.477 118.269 118.700 0.077 0.000 2.459 536 N HA -0.015 4.724 4.740 -0.001 0.000 0.181 536 N C 1.266 176.809 175.510 0.056 0.000 1.046 536 N CA 0.803 53.889 53.050 0.061 0.000 0.904 536 N CB 0.039 38.545 38.487 0.032 0.000 0.964 536 N HN 0.405 nan 8.380 nan 0.000 0.444 537 K N 0.260 120.692 120.400 0.054 0.000 2.358 537 K HA 0.154 4.473 4.320 -0.001 0.000 0.200 537 K C -0.288 176.367 176.600 0.091 0.000 1.030 537 K CA 0.032 56.352 56.287 0.055 0.000 1.097 537 K CB 0.653 33.170 32.500 0.027 0.000 0.862 537 K HN -0.135 nan 8.250 nan 0.000 0.534 538 K N 1.125 121.605 120.400 0.133 0.000 3.096 538 K HA -0.161 4.158 4.320 -0.001 0.000 0.266 538 K C -0.647 176.073 176.600 0.201 0.000 1.043 538 K CA 0.365 56.761 56.287 0.181 0.000 0.758 538 K CB -1.917 30.657 32.500 0.123 0.000 1.260 538 K HN 0.182 nan 8.250 nan 0.000 0.481 539 L N 0.309 121.661 121.223 0.215 0.000 2.439 539 L HA 0.164 4.503 4.340 -0.001 0.000 0.269 539 L C 0.725 177.791 176.870 0.326 0.000 1.179 539 L CA -0.302 54.679 54.840 0.236 0.000 0.828 539 L CB 0.489 42.676 42.059 0.214 0.000 1.106 539 L HN 0.048 nan 8.230 nan 0.000 0.467 540 K N 2.718 123.300 120.400 0.303 0.000 2.219 540 K HA 0.237 4.556 4.320 -0.001 0.000 0.280 540 K C -0.738 176.058 176.600 0.327 0.000 1.104 540 K CA -0.232 56.219 56.287 0.273 0.000 0.925 540 K CB 0.286 32.971 32.500 0.308 0.000 1.261 540 K HN 0.237 nan 8.250 nan 0.000 0.445 541 F N 3.313 123.336 119.950 0.122 0.000 2.396 541 F HA 0.290 4.817 4.527 -0.001 0.000 0.343 541 F C -0.895 174.836 175.800 -0.114 0.000 1.104 541 F CA -0.775 57.295 58.000 0.117 0.000 1.161 541 F CB 0.432 39.561 39.000 0.216 0.000 1.146 541 F HN 0.339 nan 8.300 nan 0.000 0.522 542 Y N 4.149 124.085 120.300 -0.606 0.000 2.386 542 Y HA 0.291 4.840 4.550 -0.001 0.000 0.334 542 Y C -0.573 174.863 175.900 -0.773 0.000 1.002 542 Y CA -0.955 56.845 58.100 -0.500 0.000 1.068 542 Y CB 1.829 40.172 38.460 -0.194 0.000 1.203 542 Y HN 0.625 nan 8.280 nan 0.000 0.443 543 N N 3.179 121.628 118.700 -0.418 0.000 2.342 543 N HA 0.690 5.429 4.740 -0.001 0.000 0.293 543 N C -1.877 173.568 175.510 -0.108 0.000 1.026 543 N CA -0.520 52.326 53.050 -0.340 0.000 0.857 543 N CB 1.352 39.658 38.487 -0.302 0.000 1.256 543 N HN 0.680 nan 8.380 nan 0.000 0.484 544 I N 1.735 122.235 120.570 -0.117 0.000 2.534 544 I HA 0.297 4.466 4.170 -0.001 0.000 0.288 544 I C -1.283 174.774 176.117 -0.100 0.000 1.077 544 I CA -0.621 60.639 61.300 -0.066 0.000 1.051 544 I CB 1.623 39.600 38.000 -0.039 0.000 1.234 544 I HN 0.507 nan 8.210 nan 0.000 0.425 545 D N 6.511 126.865 120.400 -0.076 0.000 2.631 545 D HA 0.308 4.947 4.640 -0.001 0.000 0.227 545 D C 1.137 177.390 176.300 -0.078 0.000 1.146 545 D CA 0.303 54.245 54.000 -0.097 0.000 1.009 545 D CB 1.068 41.827 40.800 -0.069 0.000 1.057 545 D HN 0.674 nan 8.370 nan 0.000 0.509 546 A N 1.744 124.510 122.820 -0.090 0.000 1.986 546 A HA -0.168 4.151 4.320 -0.001 0.000 0.220 546 A C 2.171 179.715 177.584 -0.067 0.000 1.171 546 A CA 1.250 53.242 52.037 -0.076 0.000 0.640 546 A CB -0.193 18.750 19.000 -0.094 0.000 0.811 546 A HN 0.418 nan 8.150 nan 0.000 0.451 547 V N -0.094 119.775 119.914 -0.075 0.000 2.667 547 V HA -0.156 3.963 4.120 -0.001 0.000 0.252 547 V C 2.488 178.554 176.094 -0.046 0.000 1.065 547 V CA 1.950 64.215 62.300 -0.060 0.000 1.083 547 V CB -0.504 31.279 31.823 -0.066 0.000 0.692 547 V HN 0.539 nan 8.190 nan 0.000 0.468 548 K N 0.485 120.857 120.400 -0.046 0.000 2.062 548 K HA -0.016 4.303 4.320 -0.001 0.000 0.205 548 K C 2.046 178.630 176.600 -0.027 0.000 1.051 548 K CA 1.328 57.597 56.287 -0.031 0.000 0.941 548 K CB -0.150 32.334 32.500 -0.027 0.000 0.719 548 K HN 0.436 nan 8.250 nan 0.000 0.440 549 I N 0.963 121.514 120.570 -0.031 0.000 2.202 549 I HA -0.235 3.934 4.170 -0.001 0.000 0.242 549 I C 2.508 178.606 176.117 -0.031 0.000 1.091 549 I CA 1.196 62.480 61.300 -0.027 0.000 1.368 549 I CB -0.427 37.557 38.000 -0.026 0.000 1.058 549 I HN 0.087 nan 8.210 nan 0.000 0.410 550 A N 0.435 123.233 122.820 -0.036 0.000 1.933 550 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 550 A C 2.383 179.946 177.584 -0.034 0.000 1.175 550 A CA 2.295 54.310 52.037 -0.038 0.000 0.628 550 A CB -0.998 17.978 19.000 -0.039 0.000 0.814 550 A HN 0.379 nan 8.150 nan 0.000 0.444 551 T N 0.105 114.641 114.554 -0.029 0.000 2.777 551 T HA -0.103 4.246 4.350 -0.001 0.000 0.266 551 T C 1.471 176.157 174.700 -0.023 0.000 1.040 551 T CA 1.515 63.601 62.100 -0.024 0.000 1.141 551 T CB -0.357 68.499 68.868 -0.020 0.000 0.868 551 T HN 0.444 nan 8.240 nan 0.000 0.444 552 D N 1.052 121.438 120.400 -0.022 0.000 2.144 552 D HA -0.066 4.573 4.640 -0.001 0.000 0.200 552 D C 2.142 178.428 176.300 -0.024 0.000 0.978 552 D CA 0.969 54.957 54.000 -0.020 0.000 0.833 552 D CB -0.306 40.484 40.800 -0.017 0.000 0.961 552 D HN 0.434 nan 8.370 nan 0.000 0.470 553 V N -3.279 116.617 119.914 -0.030 0.000 3.649 553 V HA 0.462 4.582 4.120 -0.001 0.000 0.275 553 V C 1.454 177.523 176.094 -0.042 0.000 1.281 553 V CA 0.695 62.973 62.300 -0.037 0.000 1.143 553 V CB -0.043 31.754 31.823 -0.043 0.000 0.892 553 V HN 0.236 nan 8.190 nan 0.000 0.441 554 G N 0.851 109.629 108.800 -0.037 0.000 2.176 554 G HA2 -0.254 3.705 3.960 -0.001 0.000 0.253 554 G HA3 -0.254 3.705 3.960 -0.001 0.000 0.253 554 G C 0.361 175.234 174.900 -0.045 0.000 0.979 554 G CA 0.313 45.390 45.100 -0.038 0.000 0.641 554 G HN 0.542 nan 8.290 nan 0.000 0.530 555 L N 1.206 122.399 121.223 -0.050 0.000 2.718 555 L HA 0.359 4.698 4.340 -0.001 0.000 0.242 555 L C 2.135 178.982 176.870 -0.038 0.000 1.203 555 L CA 0.553 55.361 54.840 -0.054 0.000 1.011 555 L CB -0.548 41.473 42.059 -0.065 0.000 1.250 555 L HN 0.749 nan 8.230 nan 0.000 0.437 556 G N 0.219 109.000 108.800 -0.031 0.000 2.280 556 G HA2 -0.325 3.634 3.960 -0.001 0.000 0.282 556 G HA3 -0.325 3.634 3.960 -0.001 0.000 0.282 556 G C 1.021 175.909 174.900 -0.021 0.000 1.000 556 G CA 0.549 45.635 45.100 -0.023 0.000 0.751 556 G HN 0.756 nan 8.290 nan 0.000 0.515 557 G N -1.783 107.002 108.800 -0.026 0.000 2.179 557 G HA2 -0.219 3.740 3.960 -0.001 0.000 0.220 557 G HA3 -0.219 3.740 3.960 -0.001 0.000 0.220 557 G C 0.335 175.219 174.900 -0.027 0.000 0.990 557 G CA 0.685 45.769 45.100 -0.027 0.000 0.646 557 G HN 0.920 nan 8.290 nan 0.000 0.517 558 R N 0.834 121.319 120.500 -0.024 0.000 2.351 558 R HA 0.451 4.790 4.340 -0.001 0.000 0.318 558 R C 1.968 178.252 176.300 -0.027 0.000 1.055 558 R CA 0.217 56.306 56.100 -0.018 0.000 0.968 558 R CB 0.081 30.375 30.300 -0.010 0.000 0.974 558 R HN 0.571 nan 8.270 nan 0.000 0.439 559 I N 1.185 121.736 120.570 -0.032 0.000 3.578 559 I HA -0.008 4.161 4.170 -0.001 0.000 0.295 559 I C 1.132 177.213 176.117 -0.059 0.000 1.280 559 I CA 0.334 61.601 61.300 -0.055 0.000 1.347 559 I CB -0.131 37.822 38.000 -0.078 0.000 1.051 559 I HN 0.573 nan 8.210 nan 0.000 0.460 560 N N 1.497 120.183 118.700 -0.024 0.000 2.069 560 N HA -0.282 4.457 4.740 -0.001 0.000 0.191 560 N C 1.800 177.320 175.510 0.016 0.000 1.031 560 N CA 1.708 54.757 53.050 -0.002 0.000 0.852 560 N CB -0.478 38.029 38.487 0.034 0.000 1.018 560 N HN 0.271 nan 8.380 nan 0.000 0.423 561 M N -0.005 119.606 119.600 0.018 0.000 2.229 561 M HA 0.090 4.570 4.480 -0.001 0.000 0.264 561 M C 1.338 177.651 176.300 0.022 0.000 1.063 561 M CA 1.140 56.456 55.300 0.027 0.000 1.114 561 M CB -0.255 32.342 32.600 -0.005 0.000 1.387 561 M HN 0.249 nan 8.290 nan 0.000 0.420 562 I N -0.632 119.934 120.570 -0.005 0.000 2.233 562 I HA -0.250 3.919 4.170 -0.001 0.000 0.243 562 I C 2.046 178.174 176.117 0.019 0.000 1.093 562 I CA 1.179 62.476 61.300 -0.005 0.000 1.380 562 I CB -0.635 37.346 38.000 -0.032 0.000 1.067 562 I HN 0.232 nan 8.210 nan 0.000 0.413 563 M N -0.436 119.143 119.600 -0.035 0.000 2.213 563 M HA -0.189 4.290 4.480 -0.001 0.000 0.263 563 M C 2.323 178.742 176.300 0.199 0.000 1.062 563 M CA 1.473 56.756 55.300 -0.028 0.000 1.105 563 M CB -1.405 30.903 32.600 -0.487 0.000 1.385 563 M HN 0.271 nan 8.290 nan 0.000 0.417 564 Q N 0.470 120.383 119.800 0.188 0.000 2.084 564 Q HA -0.102 4.237 4.340 -0.001 0.000 0.202 564 Q C 1.770 178.032 176.000 0.436 0.000 0.978 564 Q CA 2.390 58.393 55.803 0.334 0.000 0.844 564 Q CB -0.440 28.447 28.738 0.248 0.000 0.898 564 Q HN 0.496 nan 8.270 nan 0.000 0.426 565 T N 0.239 114.939 114.554 0.243 0.000 2.788 565 T HA -0.094 4.255 4.350 -0.001 0.000 0.268 565 T C 1.720 176.538 174.700 0.197 0.000 1.044 565 T CA 1.219 63.428 62.100 0.182 0.000 1.139 565 T CB -0.547 68.365 68.868 0.072 0.000 0.867 565 T HN 0.471 nan 8.240 nan 0.000 0.454 566 A N 1.171 124.113 122.820 0.203 0.000 1.933 566 A HA -0.011 4.308 4.320 -0.001 0.000 0.218 566 A C 1.989 179.718 177.584 0.242 0.000 1.175 566 A CA 1.302 53.451 52.037 0.188 0.000 0.628 566 A CB -0.877 18.243 19.000 0.199 0.000 0.814 566 A HN 0.506 nan 8.150 nan 0.000 0.444 567 F N -0.297 119.759 119.950 0.177 0.000 2.075 567 F HA -0.111 4.415 4.527 -0.001 0.000 0.297 567 F C 1.866 177.547 175.800 -0.197 0.000 1.113 567 F CA 1.575 59.508 58.000 -0.111 0.000 1.218 567 F CB -0.624 38.383 39.000 0.011 0.000 0.984 567 F HN 0.182 nan 8.300 nan 0.000 0.472 568 F N 1.065 120.826 119.950 -0.314 0.000 2.161 568 F HA -0.154 4.372 4.527 -0.001 0.000 0.300 568 F C 2.630 178.236 175.800 -0.323 0.000 1.089 568 F CA 2.029 59.763 58.000 -0.443 0.000 1.282 568 F CB -0.628 38.265 39.000 -0.179 0.000 1.010 568 F HN -0.012 nan 8.300 nan 0.000 0.485 569 K N -0.297 120.105 120.400 0.003 0.000 2.076 569 K HA -0.097 4.222 4.320 -0.001 0.000 0.204 569 K C 1.523 178.105 176.600 -0.031 0.000 1.051 569 K CA 1.065 57.373 56.287 0.034 0.000 0.949 569 K CB -0.071 32.488 32.500 0.098 0.000 0.726 569 K HN 0.188 nan 8.250 nan 0.000 0.443 570 L N 0.045 121.209 121.223 -0.098 0.000 2.664 570 L HA 0.262 4.602 4.340 -0.001 0.000 0.233 570 L C 1.577 178.408 176.870 -0.065 0.000 1.113 570 L CA 0.518 55.316 54.840 -0.070 0.000 0.896 570 L CB 0.540 42.547 42.059 -0.088 0.000 1.163 570 L HN 0.117 nan 8.230 nan 0.000 0.497 571 A N -0.941 121.660 122.820 -0.365 0.000 2.178 571 A HA 0.419 4.739 4.320 -0.001 0.000 0.211 571 A C 1.753 179.205 177.584 -0.220 0.000 1.157 571 A CA 0.682 52.471 52.037 -0.414 0.000 0.780 571 A CB -0.487 17.978 19.000 -0.891 0.000 0.828 571 A HN 0.485 nan 8.150 nan 0.000 0.476 572 G N -1.152 107.526 108.800 -0.205 0.000 2.153 572 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.252 572 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.252 572 G C 1.097 175.917 174.900 -0.133 0.000 0.994 572 G CA 0.989 46.026 45.100 -0.106 0.000 0.698 572 G HN 1.487 nan 8.290 nan 0.000 0.521 573 V N -1.119 118.632 119.914 -0.271 0.000 2.878 573 V HA 0.596 4.715 4.120 -0.001 0.000 0.250 573 V C 0.935 176.909 176.094 -0.200 0.000 1.075 573 V CA 1.454 63.607 62.300 -0.244 0.000 1.096 573 V CB -0.012 31.559 31.823 -0.420 0.000 0.724 573 V HN 0.417 nan 8.190 nan 0.000 0.467 574 L N 1.677 122.776 121.223 -0.206 0.000 2.422 574 L HA 0.555 4.894 4.340 -0.001 0.000 0.264 574 L C -2.540 174.292 176.870 -0.062 0.000 0.984 574 L CA -1.910 52.863 54.840 -0.112 0.000 0.819 574 L CB 2.427 44.432 42.059 -0.090 0.000 1.330 574 L HN 0.048 nan 8.230 nan 0.000 0.410 575 P HA 0.016 nan 4.420 nan 0.000 0.269 575 P C 0.757 178.095 177.300 0.062 0.000 1.209 575 P CA -0.171 62.950 63.100 0.037 0.000 0.776 575 P CB 0.895 32.618 31.700 0.039 0.000 0.876 576 F N 2.594 122.527 119.950 -0.027 0.000 2.037 576 F HA -0.345 4.182 4.527 -0.001 0.000 0.296 576 F C 2.202 177.990 175.800 -0.019 0.000 1.132 576 F CA 2.195 60.181 58.000 -0.022 0.000 1.211 576 F CB -0.307 38.684 39.000 -0.015 0.000 0.951 576 F HN 0.368 nan 8.300 nan 0.000 0.503 577 E N 0.212 120.405 120.200 -0.012 0.000 2.070 577 E HA -0.318 4.031 4.350 -0.001 0.000 0.197 577 E C 2.106 178.603 176.600 -0.172 0.000 1.004 577 E CA 1.841 58.162 56.400 -0.132 0.000 0.805 577 E CB -0.572 29.164 29.700 0.061 0.000 0.744 577 E HN 0.471 nan 8.360 nan 0.000 0.451 578 K N 1.171 121.516 120.400 -0.091 0.000 2.026 578 K HA -0.138 4.182 4.320 -0.001 0.000 0.208 578 K C 2.186 178.717 176.600 -0.115 0.000 1.048 578 K CA 1.510 57.748 56.287 -0.081 0.000 0.929 578 K CB -0.252 32.224 32.500 -0.040 0.000 0.713 578 K HN 0.097 nan 8.250 nan 0.000 0.439 579 A N 0.309 123.060 122.820 -0.114 0.000 1.883 579 A HA -0.127 4.193 4.320 -0.001 0.000 0.217 579 A C 2.256 179.687 177.584 -0.255 0.000 1.186 579 A CA 1.986 53.981 52.037 -0.070 0.000 0.624 579 A CB -0.790 18.220 19.000 0.017 0.000 0.822 579 A HN 0.181 nan 8.150 nan 0.000 0.444 580 V N 0.564 120.255 119.914 -0.372 0.000 2.809 580 V HA -0.189 3.931 4.120 -0.001 0.000 0.256 580 V C 2.179 178.088 176.094 -0.308 0.000 1.080 580 V CA 2.214 64.266 62.300 -0.413 0.000 1.102 580 V CB -0.813 30.629 31.823 -0.635 0.000 0.705 580 V HN 0.757 nan 8.190 nan 0.000 0.475 581 D N 0.160 120.408 120.400 -0.252 0.000 2.091 581 D HA -0.144 4.495 4.640 -0.001 0.000 0.199 581 D C 1.955 178.161 176.300 -0.157 0.000 0.980 581 D CA 0.986 54.887 54.000 -0.166 0.000 0.831 581 D CB -0.111 40.617 40.800 -0.120 0.000 0.987 581 D HN 0.177 nan 8.370 nan 0.000 0.460 582 L N 0.644 121.763 121.223 -0.174 0.000 2.042 582 L HA -0.073 4.267 4.340 -0.001 0.000 0.210 582 L C 2.424 179.140 176.870 -0.256 0.000 1.076 582 L CA 1.273 56.014 54.840 -0.166 0.000 0.749 582 L CB -0.903 41.082 42.059 -0.124 0.000 0.893 582 L HN 0.297 nan 8.230 nan 0.000 0.432 583 L N -0.748 120.212 121.223 -0.439 0.000 1.989 583 L HA -0.291 4.048 4.340 -0.001 0.000 0.211 583 L C 2.581 179.292 176.870 -0.265 0.000 1.071 583 L CA 1.686 56.220 54.840 -0.511 0.000 0.749 583 L CB -0.357 41.319 42.059 -0.637 0.000 0.890 583 L HN 0.337 nan 8.230 nan 0.000 0.431 584 K N -0.289 119.987 120.400 -0.207 0.000 2.147 584 K HA -0.190 4.129 4.320 -0.001 0.000 0.205 584 K C 1.978 178.541 176.600 -0.062 0.000 1.049 584 K CA 0.990 57.194 56.287 -0.138 0.000 0.936 584 K CB -0.106 32.333 32.500 -0.102 0.000 0.722 584 K HN 0.383 nan 8.250 nan 0.000 0.446 585 K N 0.814 121.195 120.400 -0.033 0.000 2.097 585 K HA -0.110 4.209 4.320 -0.001 0.000 0.206 585 K C 2.379 179.003 176.600 0.039 0.000 1.049 585 K CA 1.597 57.909 56.287 0.041 0.000 0.933 585 K CB -0.103 32.391 32.500 -0.011 0.000 0.717 585 K HN 0.136 nan 8.250 nan 0.000 0.442 586 S N 0.974 116.655 115.700 -0.031 0.000 2.436 586 S HA -0.021 4.448 4.470 -0.001 0.000 0.228 586 S C 1.804 176.408 174.600 0.006 0.000 1.014 586 S CA 0.354 58.541 58.200 -0.023 0.000 0.950 586 S CB -0.264 62.902 63.200 -0.055 0.000 0.784 586 S HN 0.217 nan 8.310 nan 0.000 0.504 587 I N 0.715 121.274 120.570 -0.017 0.000 3.334 587 I HA -0.010 4.159 4.170 -0.001 0.000 0.282 587 I C 2.026 178.121 176.117 -0.036 0.000 1.313 587 I CA 0.870 62.204 61.300 0.056 0.000 1.396 587 I CB -0.396 37.546 38.000 -0.098 0.000 1.054 587 I HN 0.394 nan 8.210 nan 0.000 0.495 588 H N 0.006 119.118 119.070 0.070 0.000 2.393 588 H HA 0.058 4.614 4.556 -0.001 0.000 0.307 588 H C 2.233 177.579 175.328 0.030 0.000 1.038 588 H CA 0.337 56.412 56.048 0.045 0.000 1.351 588 H CB 0.296 30.062 29.762 0.006 0.000 1.464 588 H HN 0.026 nan 8.280 nan 0.000 0.575 589 K N 1.199 121.676 120.400 0.130 0.000 2.001 589 K HA -0.120 4.199 4.320 -0.001 0.000 0.223 589 K C 0.707 177.306 176.600 -0.001 0.000 1.055 589 K CA 1.309 57.621 56.287 0.043 0.000 0.965 589 K CB -0.225 32.282 32.500 0.012 0.000 0.730 589 K HN 0.224 nan 8.250 nan 0.000 0.449 590 A N -0.435 122.350 122.820 -0.058 0.000 2.286 590 A HA 0.475 4.794 4.320 -0.001 0.000 0.286 590 A C -0.905 176.601 177.584 -0.130 0.000 1.097 590 A CA -0.458 51.467 52.037 -0.186 0.000 0.821 590 A CB 0.029 18.818 19.000 -0.352 0.000 1.076 590 A HN 0.429 nan 8.150 nan 0.000 0.490 591 Y N -1.501 118.788 120.300 -0.019 0.000 2.500 591 Y HA 0.012 4.561 4.550 -0.001 0.000 0.115 591 Y C 1.438 177.337 175.900 -0.002 0.000 1.696 591 Y CA 0.682 58.768 58.100 -0.022 0.000 1.423 591 Y CB -1.325 37.106 38.460 -0.048 0.000 2.068 591 Y HN 2.361 nan 8.280 nan 0.000 0.253 592 G N -0.968 107.951 108.800 0.199 0.000 2.157 592 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.248 592 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.248 592 G C 0.819 175.765 174.900 0.076 0.000 0.979 592 G CA 1.032 46.203 45.100 0.117 0.000 0.650 592 G HN 0.933 nan 8.290 nan 0.000 0.529 593 K N 0.154 120.607 120.400 0.087 0.000 1.967 593 K HA 0.116 4.435 4.320 -0.001 0.000 0.212 593 K C 1.392 178.014 176.600 0.036 0.000 1.044 593 K CA 1.330 57.650 56.287 0.056 0.000 0.942 593 K CB 0.005 32.547 32.500 0.070 0.000 0.726 593 K HN 0.160 nan 8.250 nan 0.000 0.440 594 K N 1.257 121.679 120.400 0.037 0.000 2.655 594 K HA 0.228 4.547 4.320 -0.001 0.000 0.213 594 K C -0.785 175.821 176.600 0.010 0.000 1.126 594 K CA 0.093 56.390 56.287 0.017 0.000 1.076 594 K CB 0.467 32.973 32.500 0.011 0.000 1.644 594 K HN 0.594 nan 8.250 nan 0.000 0.523 595 G N 1.008 109.816 108.800 0.014 0.000 2.757 595 G HA2 -0.187 3.773 3.960 -0.001 0.000 0.638 595 G HA3 -0.187 3.773 3.960 -0.001 0.000 0.638 595 G C 0.035 174.941 174.900 0.011 0.000 1.344 595 G CA -0.719 44.386 45.100 0.009 0.000 0.855 595 G HN 0.430 nan 8.290 nan 0.000 0.537 596 E N -0.291 119.914 120.200 0.008 0.000 2.489 596 E HA 0.018 4.367 4.350 -0.001 0.000 0.193 596 E C 2.193 178.784 176.600 -0.015 0.000 1.057 596 E CA 0.404 56.811 56.400 0.012 0.000 0.866 596 E CB 0.162 29.875 29.700 0.021 0.000 0.916 596 E HN 0.521 nan 8.360 nan 0.000 0.500 597 K N 0.765 121.150 120.400 -0.025 0.000 2.116 597 K HA -0.042 4.278 4.320 -0.001 0.000 0.203 597 K C 1.694 178.251 176.600 -0.071 0.000 1.052 597 K CA 0.531 56.794 56.287 -0.040 0.000 0.952 597 K CB 0.231 32.712 32.500 -0.032 0.000 0.729 597 K HN 0.035 nan 8.250 nan 0.000 0.446 598 I N 1.487 122.008 120.570 -0.082 0.000 2.546 598 I HA -0.147 4.022 4.170 -0.001 0.000 0.255 598 I C 2.167 178.143 176.117 -0.236 0.000 1.163 598 I CA 0.743 61.955 61.300 -0.147 0.000 1.457 598 I CB -0.744 37.186 38.000 -0.117 0.000 1.092 598 I HN -0.064 nan 8.210 nan 0.000 0.434 599 V N 0.914 120.730 119.914 -0.164 0.000 2.591 599 V HA -0.126 3.993 4.120 -0.001 0.000 0.249 599 V C 2.471 178.452 176.094 -0.188 0.000 1.053 599 V CA 1.213 63.394 62.300 -0.199 0.000 1.068 599 V CB -0.636 31.135 31.823 -0.087 0.000 0.689 599 V HN 0.252 nan 8.190 nan 0.000 0.462 600 K N 0.882 121.211 120.400 -0.119 0.000 2.137 600 K HA 0.045 4.364 4.320 -0.001 0.000 0.202 600 K C 1.987 178.522 176.600 -0.108 0.000 1.052 600 K CA 1.404 57.636 56.287 -0.091 0.000 0.961 600 K CB -0.496 31.973 32.500 -0.051 0.000 0.741 600 K HN 0.372 nan 8.250 nan 0.000 0.452 601 M N 0.263 119.789 119.600 -0.123 0.000 2.108 601 M HA -0.233 4.247 4.480 -0.001 0.000 0.257 601 M C 1.704 177.920 176.300 -0.141 0.000 1.071 601 M CA 2.263 57.490 55.300 -0.120 0.000 1.093 601 M CB -0.577 31.951 32.600 -0.119 0.000 1.345 601 M HN 0.199 nan 8.290 nan 0.000 0.403 602 N N -0.884 117.692 118.700 -0.207 0.000 2.207 602 N HA -0.068 4.671 4.740 -0.001 0.000 0.182 602 N C 1.537 176.949 175.510 -0.162 0.000 1.020 602 N CA 1.479 54.395 53.050 -0.223 0.000 0.858 602 N CB 0.034 38.293 38.487 -0.380 0.000 0.991 602 N HN 0.226 nan 8.380 nan 0.000 0.427 603 T N 0.457 114.912 114.554 -0.165 0.000 2.833 603 T HA -0.093 4.256 4.350 -0.001 0.000 0.269 603 T C 0.795 175.443 174.700 -0.087 0.000 1.054 603 T CA 1.141 63.162 62.100 -0.131 0.000 1.135 603 T CB -0.237 68.550 68.868 -0.133 0.000 0.869 603 T HN 0.202 nan 8.240 nan 0.000 0.466 604 D N 1.197 121.550 120.400 -0.078 0.000 2.144 604 D HA 0.075 4.714 4.640 -0.001 0.000 0.200 604 D C 2.299 178.570 176.300 -0.048 0.000 0.978 604 D CA 0.959 54.927 54.000 -0.054 0.000 0.833 604 D CB -0.434 40.337 40.800 -0.049 0.000 0.961 604 D HN 0.380 nan 8.370 nan 0.000 0.470 605 A N 0.463 123.247 122.820 -0.061 0.000 1.902 605 A HA -0.157 4.163 4.320 -0.001 0.000 0.217 605 A C 2.441 180.004 177.584 -0.036 0.000 1.181 605 A CA 1.355 53.363 52.037 -0.049 0.000 0.623 605 A CB -0.757 18.207 19.000 -0.060 0.000 0.818 605 A HN 0.150 nan 8.150 nan 0.000 0.443 606 V N 0.619 120.505 119.914 -0.046 0.000 2.295 606 V HA -0.262 3.857 4.120 -0.001 0.000 0.246 606 V C 2.220 178.302 176.094 -0.020 0.000 1.049 606 V CA 2.262 64.539 62.300 -0.039 0.000 1.024 606 V CB -0.866 30.913 31.823 -0.072 0.000 0.648 606 V HN 0.498 nan 8.190 nan 0.000 0.447 607 D N -0.469 119.917 120.400 -0.023 0.000 2.104 607 D HA -0.222 4.418 4.640 -0.001 0.000 0.194 607 D C 2.233 178.540 176.300 0.011 0.000 0.994 607 D CA 1.673 55.672 54.000 -0.002 0.000 0.830 607 D CB -0.163 40.631 40.800 -0.010 0.000 0.959 607 D HN 0.513 nan 8.370 nan 0.000 0.452 608 Q N 0.105 119.905 119.800 0.000 0.000 2.119 608 Q HA -0.094 4.245 4.340 -0.001 0.000 0.201 608 Q C 2.068 178.077 176.000 0.014 0.000 0.972 608 Q CA 1.356 57.162 55.803 0.005 0.000 0.847 608 Q CB 0.001 28.735 28.738 -0.006 0.000 0.903 608 Q HN 0.202 nan 8.270 nan 0.000 0.433 609 A N -0.248 122.578 122.820 0.011 0.000 1.877 609 A HA -0.157 4.162 4.320 -0.001 0.000 0.216 609 A C 2.177 179.787 177.584 0.042 0.000 1.186 609 A CA 1.602 53.651 52.037 0.021 0.000 0.620 609 A CB -0.814 18.195 19.000 0.016 0.000 0.822 609 A HN 0.292 nan 8.150 nan 0.000 0.443 610 V N -0.231 119.717 119.914 0.057 0.000 2.392 610 V HA -0.242 3.878 4.120 -0.001 0.000 0.249 610 V C 2.661 178.809 176.094 0.091 0.000 1.059 610 V CA 2.455 64.817 62.300 0.103 0.000 1.051 610 V CB -1.388 30.528 31.823 0.155 0.000 0.658 610 V HN 0.601 nan 8.190 nan 0.000 0.455 611 T N 0.088 114.681 114.554 0.064 0.000 2.770 611 T HA -0.125 4.224 4.350 -0.001 0.000 0.263 611 T C 2.036 176.762 174.700 0.044 0.000 1.039 611 T CA 1.824 63.952 62.100 0.047 0.000 1.142 611 T CB -0.213 68.674 68.868 0.032 0.000 0.868 611 T HN 0.595 nan 8.240 nan 0.000 0.435 612 S N 1.122 116.848 115.700 0.042 0.000 2.461 612 S HA 0.119 4.588 4.470 -0.001 0.000 0.228 612 S C 0.733 175.376 174.600 0.071 0.000 1.005 612 S CA 0.157 58.383 58.200 0.044 0.000 0.942 612 S CB -0.161 63.056 63.200 0.029 0.000 0.776 612 S HN 0.148 nan 8.310 nan 0.000 0.514 613 L N 3.565 124.836 121.223 0.081 0.000 2.388 613 L HA 0.276 4.615 4.340 -0.001 0.000 0.252 613 L C -0.040 176.968 176.870 0.230 0.000 1.357 613 L CA 0.626 55.537 54.840 0.118 0.000 1.214 613 L CB -1.397 40.680 42.059 0.029 0.000 1.392 613 L HN 0.196 nan 8.230 nan 0.000 0.432 614 Q N 0.591 120.539 119.800 0.246 0.000 2.306 614 Q HA 0.278 4.617 4.340 -0.001 0.000 0.265 614 Q C -0.163 175.905 176.000 0.113 0.000 1.022 614 Q CA -0.721 55.212 55.803 0.216 0.000 0.853 614 Q CB 1.770 30.550 28.738 0.071 0.000 1.327 614 Q HN 0.350 nan 8.270 nan 0.000 0.449 615 E N 1.305 121.424 120.200 -0.135 0.000 2.502 615 E HA -0.052 4.297 4.350 -0.001 0.000 0.261 615 E C -1.057 175.409 176.600 -0.222 0.000 0.974 615 E CA 0.071 56.145 56.400 -0.543 0.000 0.936 615 E CB 0.373 29.856 29.700 -0.363 0.000 0.926 615 E HN 0.391 nan 8.360 nan 0.000 0.459 616 F N 4.547 124.308 119.950 -0.315 0.000 2.438 616 F HA 0.215 4.741 4.527 -0.001 0.000 0.356 616 F C -0.041 175.752 175.800 -0.011 0.000 1.099 616 F CA -0.517 57.426 58.000 -0.095 0.000 1.185 616 F CB 0.665 39.632 39.000 -0.054 0.000 1.115 616 F HN 0.188 nan 8.300 nan 0.000 0.526 617 K N 7.770 127.964 120.400 -0.343 0.000 2.266 617 K HA 0.119 4.438 4.320 -0.001 0.000 0.274 617 K C -1.211 175.198 176.600 -0.319 0.000 1.090 617 K CA -0.316 55.777 56.287 -0.324 0.000 0.925 617 K CB 0.333 32.638 32.500 -0.325 0.000 1.225 617 K HN 0.631 nan 8.250 nan 0.000 0.458 618 Y N 1.867 122.018 120.300 -0.248 0.000 2.334 618 Y HA 0.557 5.107 4.550 -0.001 0.000 0.328 618 Y C -2.000 173.574 175.900 -0.543 0.000 1.130 618 Y CA -2.999 54.724 58.100 -0.629 0.000 1.163 618 Y CB -0.222 37.422 38.460 -1.360 0.000 1.207 618 Y HN 0.377 nan 8.280 nan 0.000 0.471 619 P HA 0.021 nan 4.420 nan 0.000 0.272 619 P C -0.332 176.907 177.300 -0.101 0.000 1.240 619 P CA -0.042 62.930 63.100 -0.213 0.000 0.791 619 P CB 1.227 32.874 31.700 -0.089 0.000 0.978 620 D N -0.077 120.315 120.400 -0.015 0.000 2.219 620 D HA -0.123 4.516 4.640 -0.001 0.000 0.205 620 D C 1.692 178.079 176.300 0.145 0.000 0.970 620 D CA 1.239 55.279 54.000 0.068 0.000 0.851 620 D CB -0.135 40.685 40.800 0.033 0.000 0.943 620 D HN 0.280 nan 8.370 nan 0.000 0.488 621 S N -0.414 115.379 115.700 0.155 0.000 2.420 621 S HA -0.207 4.262 4.470 -0.001 0.000 0.237 621 S C 1.567 176.349 174.600 0.304 0.000 1.023 621 S CA 0.690 59.010 58.200 0.200 0.000 0.991 621 S CB -0.686 62.633 63.200 0.199 0.000 0.792 621 S HN 0.423 nan 8.310 nan 0.000 0.488 622 W N 2.273 123.613 121.300 0.067 0.000 2.364 622 W HA 0.044 4.704 4.660 -0.001 0.000 0.281 622 W C 2.043 178.560 176.519 -0.003 0.000 1.219 622 W CA 0.120 57.479 57.345 0.022 0.000 1.220 622 W CB -0.626 28.845 29.460 0.019 0.000 1.127 622 W HN 0.313 nan 8.180 nan 0.000 0.556 623 K N -0.127 120.422 120.400 0.248 0.000 2.519 623 K HA -0.147 4.173 4.320 -0.001 0.000 0.196 623 K C -0.256 176.391 176.600 0.079 0.000 1.041 623 K CA 1.446 57.816 56.287 0.137 0.000 0.954 623 K CB -0.386 32.187 32.500 0.121 0.000 0.774 623 K HN 0.305 nan 8.250 nan 0.000 0.480 624 D N -1.647 118.801 120.400 0.080 0.000 3.453 624 D HA 0.159 4.798 4.640 -0.001 0.000 0.312 624 D C -0.890 175.423 176.300 0.022 0.000 1.349 624 D CA -0.489 53.533 54.000 0.037 0.000 0.739 624 D CB 0.367 41.188 40.800 0.036 0.000 1.312 624 D HN -0.025 nan 8.370 nan 0.000 0.628 625 A N 1.925 124.740 122.820 -0.008 0.000 2.409 625 A HA 0.551 4.871 4.320 -0.001 0.000 0.262 625 A C -1.989 175.554 177.584 -0.068 0.000 1.113 625 A CA -1.059 50.944 52.037 -0.058 0.000 0.790 625 A CB 0.150 19.049 19.000 -0.169 0.000 1.046 625 A HN 0.298 nan 8.150 nan 0.000 0.496 626 P HA 0.298 nan 4.420 nan 0.000 0.271 626 P C 0.116 177.371 177.300 -0.075 0.000 1.216 626 P CA 0.073 63.140 63.100 -0.055 0.000 0.776 626 P CB 0.872 32.547 31.700 -0.043 0.000 0.881 627 A N 3.446 126.226 122.820 -0.066 0.000 2.429 627 A HA 0.194 4.514 4.320 -0.001 0.000 0.242 627 A C 0.767 178.309 177.584 -0.071 0.000 1.088 627 A CA -0.004 51.990 52.037 -0.072 0.000 0.784 627 A CB -0.305 18.660 19.000 -0.059 0.000 1.038 627 A HN 0.695 nan 8.150 nan 0.000 0.501 628 E N -0.400 119.754 120.200 -0.075 0.000 2.664 628 E HA 0.637 4.986 4.350 -0.001 0.000 0.245 628 E C 0.229 176.794 176.600 -0.059 0.000 1.016 628 E CA -0.267 56.090 56.400 -0.072 0.000 0.963 628 E CB 0.380 30.028 29.700 -0.086 0.000 1.360 628 E HN 0.670 nan 8.360 nan 0.000 0.472 629 T N -1.716 112.804 114.554 -0.055 0.000 2.891 629 T HA 0.467 4.816 4.350 -0.001 0.000 0.294 629 T C -0.300 174.374 174.700 -0.043 0.000 1.065 629 T CA -0.865 61.208 62.100 -0.045 0.000 0.936 629 T CB 0.315 69.158 68.868 -0.041 0.000 1.415 629 T HN 0.595 nan 8.240 nan 0.000 0.572 630 K N -0.690 119.688 120.400 -0.036 0.000 2.950 630 K HA 0.675 4.994 4.320 -0.001 0.000 0.199 630 K C -0.098 176.487 176.600 -0.025 0.000 1.144 630 K CA -0.673 55.595 56.287 -0.031 0.000 0.983 630 K CB 0.572 33.055 32.500 -0.029 0.000 1.187 630 K HN 0.594 nan 8.250 nan 0.000 0.595 631 A N 2.105 124.910 122.820 -0.025 0.000 2.233 631 A HA 0.011 4.330 4.320 -0.001 0.000 0.230 631 A C -0.041 177.535 177.584 -0.012 0.000 1.347 631 A CA -0.164 51.862 52.037 -0.019 0.000 1.087 631 A CB -1.017 17.970 19.000 -0.020 0.000 0.871 631 A HN 0.776 nan 8.150 nan 0.000 0.519 632 E N 0.660 120.854 120.200 -0.011 0.000 2.452 632 E HA 0.367 4.716 4.350 -0.001 0.000 0.261 632 E C -2.307 174.290 176.600 -0.005 0.000 0.987 632 E CA -1.156 55.242 56.400 -0.003 0.000 0.926 632 E CB -0.362 29.337 29.700 -0.002 0.000 0.934 632 E HN 0.310 nan 8.360 nan 0.000 0.452 633 P HA 0.112 nan 4.420 nan 0.000 0.276 633 P C -0.788 176.501 177.300 -0.018 0.000 1.261 633 P CA -0.815 62.282 63.100 -0.004 0.000 0.800 633 P CB 0.408 32.110 31.700 0.003 0.000 1.066 634 M N 0.777 120.371 119.600 -0.011 0.000 2.200 634 M HA 0.283 4.762 4.480 -0.001 0.000 0.355 634 M C 0.078 176.330 176.300 -0.080 0.000 1.283 634 M CA 0.965 56.248 55.300 -0.028 0.000 1.124 634 M CB -0.289 32.309 32.600 -0.003 0.000 1.625 634 M HN 0.399 nan 8.290 nan 0.000 0.463 635 T N 2.658 117.095 114.554 -0.195 0.000 2.551 635 T HA 0.552 4.901 4.350 -0.001 0.000 0.249 635 T C -0.566 173.833 174.700 -0.502 0.000 0.851 635 T CA -0.665 61.083 62.100 -0.587 0.000 1.149 635 T CB 0.810 69.365 68.868 -0.522 0.000 1.456 635 T HN 0.694 nan 8.240 nan 0.000 0.514 636 N N 1.130 119.494 118.700 -0.560 0.000 2.502 636 N HA 0.285 5.024 4.740 -0.001 0.000 0.280 636 N C 0.947 176.430 175.510 -0.046 0.000 1.223 636 N CA -0.470 52.470 53.050 -0.184 0.000 0.966 636 N CB 0.972 39.436 38.487 -0.038 0.000 1.203 636 N HN 0.653 nan 8.380 nan 0.000 0.565 637 E N 0.003 120.219 120.200 0.027 0.000 2.299 637 E HA -0.117 4.232 4.350 -0.001 0.000 0.193 637 E C 1.227 177.876 176.600 0.081 0.000 0.998 637 E CA 0.929 57.347 56.400 0.031 0.000 0.851 637 E CB -0.305 29.428 29.700 0.054 0.000 0.795 637 E HN 0.579 nan 8.360 nan 0.000 0.492 638 F N 0.580 120.519 119.950 -0.018 0.000 2.219 638 F HA 0.123 4.650 4.527 -0.001 0.000 0.294 638 F C 1.994 177.797 175.800 0.004 0.000 1.086 638 F CA 0.366 58.357 58.000 -0.015 0.000 1.330 638 F CB -0.258 38.754 39.000 0.020 0.000 1.047 638 F HN -0.026 nan 8.300 nan 0.000 0.495 639 F N 1.102 121.012 119.950 -0.066 0.000 2.146 639 F HA -0.105 4.422 4.527 -0.001 0.000 0.298 639 F C 2.322 178.003 175.800 -0.198 0.000 1.096 639 F CA 1.786 59.694 58.000 -0.153 0.000 1.275 639 F CB -0.357 38.466 39.000 -0.295 0.000 1.008 639 F HN -0.187 nan 8.300 nan 0.000 0.480 640 K N -0.095 120.288 120.400 -0.028 0.000 2.025 640 K HA -0.136 4.183 4.320 -0.001 0.000 0.207 640 K C 1.612 178.105 176.600 -0.177 0.000 1.049 640 K CA 1.570 57.811 56.287 -0.077 0.000 0.933 640 K CB -0.121 32.355 32.500 -0.039 0.000 0.714 640 K HN 0.218 nan 8.250 nan 0.000 0.438 641 N N -0.552 118.025 118.700 -0.204 0.000 2.424 641 N HA -0.038 4.701 4.740 -0.001 0.000 0.178 641 N C 1.285 176.595 175.510 -0.332 0.000 1.060 641 N CA 0.702 53.618 53.050 -0.222 0.000 0.901 641 N CB 0.713 39.099 38.487 -0.169 0.000 0.979 641 N HN -0.004 nan 8.380 nan 0.000 0.451 642 V N -0.629 118.974 119.914 -0.519 0.000 3.161 642 V HA 0.072 4.192 4.120 -0.001 0.000 0.221 642 V C 2.010 177.805 176.094 -0.498 0.000 1.296 642 V CA 0.348 62.295 62.300 -0.588 0.000 1.306 642 V CB -0.212 30.997 31.823 -1.023 0.000 1.171 642 V HN 0.040 nan 8.190 nan 0.000 0.513 643 V N 0.546 120.073 119.914 -0.645 0.000 2.379 643 V HA -0.158 3.961 4.120 -0.001 0.000 0.245 643 V C 2.281 178.036 176.094 -0.564 0.000 1.044 643 V CA 2.830 64.839 62.300 -0.484 0.000 1.036 643 V CB -0.335 31.316 31.823 -0.287 0.000 0.664 643 V HN 0.563 nan 8.190 nan 0.000 0.453 644 K N 0.492 120.403 120.400 -0.815 0.000 2.057 644 K HA -0.087 4.232 4.320 -0.001 0.000 0.207 644 K C 0.002 176.463 176.600 -0.231 0.000 1.049 644 K CA 2.009 57.976 56.287 -0.535 0.000 0.931 644 K CB -1.131 31.141 32.500 -0.380 0.000 0.714 644 K HN 0.496 nan 8.250 nan 0.000 0.440 645 P HA -0.153 nan 4.420 nan 0.000 0.215 645 P C 1.044 178.316 177.300 -0.046 0.000 1.153 645 P CA 1.334 64.373 63.100 -0.103 0.000 0.853 645 P CB 0.039 31.669 31.700 -0.116 0.000 0.788 646 I N -1.463 119.073 120.570 -0.057 0.000 2.252 646 I HA -0.185 3.984 4.170 -0.001 0.000 0.245 646 I C 2.236 178.376 176.117 0.038 0.000 1.102 646 I CA 1.173 62.483 61.300 0.017 0.000 1.385 646 I CB -0.642 37.392 38.000 0.058 0.000 1.064 646 I HN -0.137 nan 8.210 nan 0.000 0.414 647 L N 0.313 121.546 121.223 0.018 0.000 2.191 647 L HA -0.141 4.198 4.340 -0.001 0.000 0.212 647 L C 1.988 178.970 176.870 0.187 0.000 1.103 647 L CA 1.518 56.414 54.840 0.094 0.000 0.769 647 L CB -0.909 41.196 42.059 0.076 0.000 0.908 647 L HN 0.423 nan 8.230 nan 0.000 0.438 648 T N -3.781 110.852 114.554 0.131 0.000 3.273 648 T HA 0.110 4.460 4.350 -0.001 0.000 0.254 648 T C 0.613 175.459 174.700 0.243 0.000 1.002 648 T CA -0.422 61.809 62.100 0.219 0.000 0.913 648 T CB 0.297 69.203 68.868 0.063 0.000 1.056 648 T HN 0.273 nan 8.240 nan 0.000 0.576 649 Q N 0.219 120.124 119.800 0.176 0.000 2.481 649 Q HA -0.189 4.150 4.340 -0.001 0.000 0.258 649 Q C 0.412 176.461 176.000 0.081 0.000 0.961 649 Q CA 0.975 56.842 55.803 0.106 0.000 1.121 649 Q CB -2.125 26.679 28.738 0.111 0.000 1.503 649 Q HN 0.727 nan 8.270 nan 0.000 0.544 650 Q N -1.430 118.409 119.800 0.065 0.000 2.219 650 Q HA 0.187 4.526 4.340 -0.001 0.000 0.209 650 Q C 1.734 177.757 176.000 0.038 0.000 0.854 650 Q CA 0.671 56.500 55.803 0.043 0.000 0.960 650 Q CB 0.661 29.413 28.738 0.025 0.000 1.116 650 Q HN 0.464 nan 8.270 nan 0.000 0.500 651 G N 1.705 110.534 108.800 0.048 0.000 2.462 651 G HA2 -0.249 3.710 3.960 -0.001 0.000 0.220 651 G HA3 -0.249 3.710 3.960 -0.001 0.000 0.220 651 G C 1.082 176.038 174.900 0.094 0.000 1.121 651 G CA 0.624 45.773 45.100 0.082 0.000 0.758 651 G HN 0.289 nan 8.290 nan 0.000 0.559 652 D N 0.300 120.733 120.400 0.055 0.000 2.263 652 D HA -0.047 4.593 4.640 -0.001 0.000 0.208 652 D C 2.152 178.488 176.300 0.059 0.000 0.971 652 D CA 0.735 54.765 54.000 0.050 0.000 0.867 652 D CB 0.044 40.859 40.800 0.025 0.000 0.929 652 D HN 0.350 nan 8.370 nan 0.000 0.492 653 K N -0.052 120.378 120.400 0.050 0.000 2.459 653 K HA 0.013 4.332 4.320 -0.001 0.000 0.193 653 K C 0.237 176.861 176.600 0.039 0.000 1.030 653 K CA -0.269 56.040 56.287 0.036 0.000 1.026 653 K CB 0.455 32.965 32.500 0.016 0.000 0.809 653 K HN -0.050 nan 8.250 nan 0.000 0.504 654 L N 2.869 124.134 121.223 0.071 0.000 2.410 654 L HA 0.122 4.461 4.340 -0.001 0.000 0.273 654 L C -1.944 175.003 176.870 0.128 0.000 1.144 654 L CA -2.143 52.731 54.840 0.055 0.000 0.863 654 L CB 0.121 42.241 42.059 0.101 0.000 1.140 654 L HN 0.008 nan 8.230 nan 0.000 0.463 655 P HA 0.086 nan 4.420 nan 0.000 0.278 655 P C 0.959 178.348 177.300 0.147 0.000 1.266 655 P CA -0.454 62.693 63.100 0.078 0.000 0.807 655 P CB 1.090 32.800 31.700 0.017 0.000 1.094 656 V N 0.223 120.230 119.914 0.156 0.000 2.594 656 V HA -0.195 3.924 4.120 -0.001 0.000 0.253 656 V C 1.980 178.169 176.094 0.158 0.000 1.069 656 V CA 2.680 65.115 62.300 0.224 0.000 1.082 656 V CB -1.682 30.225 31.823 0.140 0.000 0.680 656 V HN 0.688 nan 8.190 nan 0.000 0.469 657 S N 0.675 116.401 115.700 0.044 0.000 2.507 657 S HA 0.134 4.603 4.470 -0.001 0.000 0.235 657 S C 1.928 176.464 174.600 -0.107 0.000 0.988 657 S CA 0.981 59.174 58.200 -0.012 0.000 0.944 657 S CB -0.517 62.668 63.200 -0.026 0.000 0.762 657 S HN 1.108 nan 8.310 nan 0.000 0.526 658 A N 0.306 122.961 122.820 -0.274 0.000 2.167 658 A HA 0.393 4.712 4.320 -0.001 0.000 0.214 658 A C 0.387 177.584 177.584 -0.645 0.000 1.151 658 A CA 0.080 51.788 52.037 -0.547 0.000 0.735 658 A CB -0.422 18.033 19.000 -0.908 0.000 0.802 658 A HN 0.527 nan 8.150 nan 0.000 0.467 659 F N 0.182 120.138 119.950 0.011 0.000 2.470 659 F HA 0.397 4.923 4.527 -0.001 0.000 0.329 659 F C 0.508 176.315 175.800 0.012 0.000 1.072 659 F CA -1.064 56.948 58.000 0.020 0.000 0.989 659 F CB 0.938 39.966 39.000 0.047 0.000 1.193 659 F HN -0.039 nan 8.300 nan 0.000 0.481 660 E N 0.869 121.184 120.200 0.191 0.000 2.373 660 E HA 0.131 4.480 4.350 -0.001 0.000 0.267 660 E C 0.747 177.427 176.600 0.132 0.000 1.032 660 E CA 0.104 56.576 56.400 0.120 0.000 0.889 660 E CB 1.361 31.119 29.700 0.096 0.000 0.984 660 E HN 0.786 nan 8.360 nan 0.000 0.425 661 A N 3.565 126.436 122.820 0.086 0.000 1.978 661 A HA -0.230 4.089 4.320 -0.001 0.000 0.220 661 A C 1.305 178.935 177.584 0.077 0.000 1.170 661 A CA 2.092 54.166 52.037 0.061 0.000 0.636 661 A CB -0.297 18.729 19.000 0.043 0.000 0.810 661 A HN 0.600 nan 8.150 nan 0.000 0.448 662 D N -2.702 117.763 120.400 0.108 0.000 2.339 662 D HA 0.308 4.947 4.640 -0.001 0.000 0.217 662 D C 1.129 177.552 176.300 0.205 0.000 1.050 662 D CA 0.831 54.912 54.000 0.136 0.000 0.856 662 D CB -0.549 40.319 40.800 0.113 0.000 0.922 662 D HN 0.785 nan 8.370 nan 0.000 0.518 663 G N 1.141 110.090 108.800 0.248 0.000 2.179 663 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.260 663 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.260 663 G C 0.364 175.499 174.900 0.391 0.000 0.977 663 G CA 0.168 45.489 45.100 0.370 0.000 0.641 663 G HN 0.755 nan 8.290 nan 0.000 0.533 664 R N -1.078 119.597 120.500 0.291 0.000 2.679 664 R HA 0.688 5.027 4.340 -0.001 0.000 0.269 664 R C -0.658 175.863 176.300 0.369 0.000 1.076 664 R CA -0.184 56.094 56.100 0.296 0.000 1.160 664 R CB 0.516 30.917 30.300 0.169 0.000 1.054 664 R HN 0.096 nan 8.270 nan 0.000 0.507 665 F N 0.361 120.366 119.950 0.092 0.000 2.577 665 F HA 0.490 5.016 4.527 -0.001 0.000 0.318 665 F C -1.846 173.921 175.800 -0.056 0.000 1.065 665 F CA -2.496 55.529 58.000 0.042 0.000 0.929 665 F CB 1.703 40.787 39.000 0.141 0.000 1.237 665 F HN 0.587 nan 8.300 nan 0.000 0.468 666 P HA 0.324 nan 4.420 nan 0.000 0.276 666 P C -0.906 176.438 177.300 0.072 0.000 1.252 666 P CA -0.380 62.658 63.100 -0.103 0.000 0.802 666 P CB 0.900 32.414 31.700 -0.311 0.000 1.035 667 L N -0.136 121.129 121.223 0.069 0.000 2.468 667 L HA 0.415 4.754 4.340 -0.001 0.000 0.254 667 L C 1.787 178.736 176.870 0.132 0.000 1.171 667 L CA 1.440 56.344 54.840 0.106 0.000 0.809 667 L CB -0.588 41.517 42.059 0.078 0.000 1.155 667 L HN 0.851 nan 8.230 nan 0.000 0.473 668 G N -0.766 108.107 108.800 0.122 0.000 2.162 668 G HA2 -0.359 3.601 3.960 -0.001 0.000 0.260 668 G HA3 -0.359 3.601 3.960 -0.001 0.000 0.260 668 G C 0.957 175.965 174.900 0.179 0.000 0.976 668 G CA 0.979 46.136 45.100 0.095 0.000 0.655 668 G HN 0.855 nan 8.290 nan 0.000 0.533 669 T N -1.192 113.562 114.554 0.332 0.000 2.977 669 T HA -0.004 4.345 4.350 -0.001 0.000 0.271 669 T C 2.568 177.543 174.700 0.459 0.000 1.105 669 T CA 2.047 64.478 62.100 0.550 0.000 1.116 669 T CB -0.398 68.864 68.868 0.658 0.000 0.878 669 T HN 1.395 nan 8.240 nan 0.000 0.509 670 S N 0.968 116.831 115.700 0.271 0.000 2.481 670 S HA -0.075 4.395 4.470 -0.001 0.000 0.231 670 S C 2.029 176.754 174.600 0.208 0.000 0.996 670 S CA 0.102 58.465 58.200 0.272 0.000 0.942 670 S CB -0.501 62.843 63.200 0.239 0.000 0.768 670 S HN 0.422 nan 8.310 nan 0.000 0.520 671 Q N 0.286 120.067 119.800 -0.032 0.000 2.297 671 Q HA -0.022 4.318 4.340 -0.001 0.000 0.208 671 Q C 0.853 176.554 176.000 -0.498 0.000 0.981 671 Q CA 1.198 56.850 55.803 -0.252 0.000 0.876 671 Q CB -0.442 27.851 28.738 -0.743 0.000 0.921 671 Q HN 0.842 nan 8.270 nan 0.000 0.446 672 F N -0.724 119.143 119.950 -0.139 0.000 2.704 672 F HA 0.170 4.696 4.527 -0.001 0.000 0.304 672 F C 1.939 177.545 175.800 -0.323 0.000 1.094 672 F CA -0.289 57.417 58.000 -0.489 0.000 1.275 672 F CB 0.356 38.542 39.000 -1.356 0.000 1.073 672 F HN -0.001 nan 8.300 nan 0.000 0.586 673 E N 1.139 121.415 120.200 0.127 0.000 2.051 673 E HA -0.145 4.204 4.350 -0.001 0.000 0.192 673 E C 0.430 177.088 176.600 0.095 0.000 0.991 673 E CA 0.660 57.199 56.400 0.232 0.000 0.799 673 E CB -0.043 29.814 29.700 0.263 0.000 0.748 673 E HN 0.042 nan 8.360 nan 0.000 0.449 674 K N 0.638 121.016 120.400 -0.038 0.000 3.602 674 K HA -0.276 4.043 4.320 -0.001 0.000 0.274 674 K C 0.502 177.094 176.600 -0.013 0.000 0.864 674 K CA 0.550 56.783 56.287 -0.089 0.000 0.682 674 K CB -1.068 31.376 32.500 -0.094 0.000 1.576 674 K HN 0.285 nan 8.250 nan 0.000 0.447 675 R N 0.178 120.688 120.500 0.017 0.000 2.120 675 R HA -0.097 4.242 4.340 -0.001 0.000 0.234 675 R C 1.370 177.698 176.300 0.048 0.000 1.123 675 R CA 1.000 57.139 56.100 0.064 0.000 0.975 675 R CB -0.074 30.280 30.300 0.090 0.000 0.866 675 R HN 0.652 nan 8.270 nan 0.000 0.446 676 G N 0.953 109.755 108.800 0.003 0.000 2.359 676 G HA2 -0.217 3.742 3.960 -0.001 0.000 0.298 676 G HA3 -0.217 3.742 3.960 -0.001 0.000 0.298 676 G C 0.464 175.378 174.900 0.024 0.000 1.030 676 G CA 0.422 45.523 45.100 0.002 0.000 1.149 676 G HN 0.364 nan 8.290 nan 0.000 0.512 677 V N -2.855 117.070 119.914 0.017 0.000 3.542 677 V HA 0.738 4.857 4.120 -0.001 0.000 0.296 677 V C 1.437 177.536 176.094 0.009 0.000 1.364 677 V CA 0.606 62.925 62.300 0.032 0.000 1.118 677 V CB -0.121 31.737 31.823 0.058 0.000 0.972 677 V HN 1.624 nan 8.190 nan 0.000 0.430 678 A N 0.635 123.449 122.820 -0.010 0.000 2.407 678 A HA 0.591 4.910 4.320 -0.001 0.000 0.248 678 A C 1.122 178.707 177.584 0.001 0.000 1.082 678 A CA -0.166 51.863 52.037 -0.013 0.000 0.785 678 A CB 0.304 19.289 19.000 -0.024 0.000 1.020 678 A HN 0.217 nan 8.150 nan 0.000 0.489 679 I N 0.486 121.057 120.570 0.003 0.000 2.385 679 I HA 0.036 4.205 4.170 -0.001 0.000 0.244 679 I C 0.477 176.599 176.117 0.008 0.000 1.089 679 I CA 0.910 62.214 61.300 0.007 0.000 1.410 679 I CB -1.217 36.787 38.000 0.007 0.000 1.117 679 I HN 0.540 nan 8.210 nan 0.000 0.429 680 N N 0.846 119.550 118.700 0.007 0.000 2.292 680 N HA 0.539 5.278 4.740 -0.001 0.000 0.303 680 N C -0.610 174.905 175.510 0.008 0.000 1.140 680 N CA -0.234 52.822 53.050 0.010 0.000 0.788 680 N CB 3.361 41.855 38.487 0.011 0.000 1.361 680 N HN -0.038 nan 8.380 nan 0.000 0.489 681 V N -1.721 118.201 119.914 0.013 0.000 3.102 681 V HA 0.747 4.866 4.120 -0.001 0.000 0.312 681 V C -2.740 173.369 176.094 0.026 0.000 1.135 681 V CA -2.312 59.996 62.300 0.014 0.000 1.022 681 V CB 2.570 34.398 31.823 0.008 0.000 1.056 681 V HN 0.455 nan 8.190 nan 0.000 0.436 682 P HA 0.238 nan 4.420 nan 0.000 0.275 682 P C -1.309 176.032 177.300 0.068 0.000 1.227 682 P CA 0.043 63.175 63.100 0.052 0.000 0.781 682 P CB 0.923 32.658 31.700 0.058 0.000 0.906 683 Q N 2.536 122.385 119.800 0.083 0.000 2.322 683 Q HA 0.275 4.614 4.340 -0.001 0.000 0.265 683 Q C -1.309 174.794 176.000 0.172 0.000 0.985 683 Q CA -0.814 55.051 55.803 0.103 0.000 0.849 683 Q CB 0.952 29.728 28.738 0.063 0.000 1.274 683 Q HN 0.380 nan 8.270 nan 0.000 0.449 684 W N 4.334 125.622 121.300 -0.019 0.000 2.218 684 W HA 0.365 5.024 4.660 -0.001 0.000 0.326 684 W C -1.073 175.437 176.519 -0.015 0.000 1.276 684 W CA -0.343 56.991 57.345 -0.019 0.000 1.210 684 W CB 0.925 30.360 29.460 -0.042 0.000 1.143 684 W HN 0.391 nan 8.180 nan 0.000 0.563 685 V N 9.491 129.121 119.914 -0.473 0.000 2.315 685 V HA 0.122 4.241 4.120 -0.001 0.000 0.265 685 V C -1.275 174.321 176.094 -0.829 0.000 1.019 685 V CA -1.208 60.796 62.300 -0.492 0.000 0.824 685 V CB 1.035 32.725 31.823 -0.221 0.000 1.072 685 V HN 0.508 nan 8.190 nan 0.000 0.448 686 P HA -0.196 nan 4.420 nan 0.000 0.218 686 P C 1.029 178.022 177.300 -0.512 0.000 1.146 686 P CA 1.372 63.705 63.100 -1.277 0.000 0.820 686 P CB 0.550 31.596 31.700 -1.091 0.000 0.778 687 E N -0.222 119.770 120.200 -0.347 0.000 2.268 687 E HA -0.116 4.233 4.350 -0.001 0.000 0.195 687 E C 1.474 177.992 176.600 -0.137 0.000 0.995 687 E CA 1.069 57.359 56.400 -0.184 0.000 0.836 687 E CB -0.781 28.834 29.700 -0.141 0.000 0.763 687 E HN 0.519 nan 8.360 nan 0.000 0.491 688 N N -0.788 117.812 118.700 -0.167 0.000 2.322 688 N HA 0.067 4.806 4.740 -0.001 0.000 0.181 688 N C -0.224 175.259 175.510 -0.045 0.000 1.088 688 N CA -0.269 52.726 53.050 -0.091 0.000 0.885 688 N CB 0.450 38.889 38.487 -0.081 0.000 1.013 688 N HN 0.029 nan 8.380 nan 0.000 0.472 689 C N 2.157 121.420 119.300 -0.061 0.000 2.633 689 C HA 0.140 4.599 4.460 -0.001 0.000 0.415 689 C C 1.875 176.940 174.990 0.125 0.000 1.393 689 C CA -0.519 58.581 59.018 0.138 0.000 1.700 689 C CB -1.166 26.824 27.740 0.416 0.000 2.541 689 C HN 0.502 nan 8.230 nan 0.000 0.603 690 I N 2.115 122.747 120.570 0.104 0.000 3.883 690 I HA 0.203 4.372 4.170 -0.001 0.000 0.326 690 I C 0.797 176.901 176.117 -0.022 0.000 1.283 690 I CA 0.166 61.486 61.300 0.033 0.000 1.161 690 I CB -0.523 37.483 38.000 0.010 0.000 1.012 690 I HN 0.862 nan 8.210 nan 0.000 0.421 691 Q N 0.798 120.597 119.800 -0.001 0.000 2.470 691 Q HA -0.200 4.139 4.340 -0.001 0.000 0.294 691 Q C 1.110 176.951 176.000 -0.265 0.000 1.356 691 Q CA 0.528 56.133 55.803 -0.330 0.000 0.805 691 Q CB -2.410 25.908 28.738 -0.699 0.000 1.157 691 Q HN 0.920 nan 8.270 nan 0.000 0.431 692 C N -3.148 116.099 119.300 -0.087 0.000 2.634 692 C HA 0.225 4.684 4.460 -0.001 0.000 0.268 692 C C 1.143 176.078 174.990 -0.092 0.000 1.322 692 C CA 0.515 59.477 59.018 -0.093 0.000 1.737 692 C CB -0.547 27.158 27.740 -0.059 0.000 1.976 692 C HN 0.847 nan 8.230 nan 0.000 0.547 693 N N 0.205 118.891 118.700 -0.022 0.000 2.828 693 N HA -0.245 4.494 4.740 -0.001 0.000 0.248 693 N C 0.886 176.398 175.510 0.003 0.000 1.044 693 N CA 0.915 53.957 53.050 -0.015 0.000 0.851 693 N CB -1.015 37.377 38.487 -0.159 0.000 1.136 693 N HN 0.725 nan 8.380 nan 0.000 0.572 694 Q N -0.205 119.590 119.800 -0.008 0.000 2.167 694 Q HA -0.150 4.189 4.340 -0.001 0.000 0.202 694 Q C 2.565 178.597 176.000 0.053 0.000 0.970 694 Q CA 1.820 57.615 55.803 -0.013 0.000 0.855 694 Q CB -0.018 28.689 28.738 -0.052 0.000 0.911 694 Q HN 0.821 nan 8.270 nan 0.000 0.438 695 C N -0.811 118.519 119.300 0.050 0.000 2.429 695 C HA 0.074 4.533 4.460 -0.001 0.000 0.277 695 C C 2.674 177.689 174.990 0.041 0.000 1.262 695 C CA 0.418 59.464 59.018 0.048 0.000 1.733 695 C CB -1.236 26.533 27.740 0.048 0.000 2.010 695 C HN 0.439 nan 8.230 nan 0.000 0.483 696 A N -0.133 122.708 122.820 0.034 0.000 1.968 696 A HA 0.029 4.349 4.320 -0.001 0.000 0.217 696 A C 1.969 179.569 177.584 0.027 0.000 1.169 696 A CA 1.273 53.314 52.037 0.006 0.000 0.638 696 A CB -0.997 17.985 19.000 -0.030 0.000 0.812 696 A HN 0.600 nan 8.150 nan 0.000 0.446 697 F N 0.183 120.085 119.950 -0.079 0.000 2.171 697 F HA -0.144 4.383 4.527 -0.001 0.000 0.300 697 F C 2.091 177.836 175.800 -0.092 0.000 1.090 697 F CA 1.799 59.753 58.000 -0.076 0.000 1.293 697 F CB 0.170 39.135 39.000 -0.059 0.000 1.013 697 F HN 0.049 nan 8.300 nan 0.000 0.486 698 V N -0.948 119.058 119.914 0.154 0.000 3.129 698 V HA -0.112 4.007 4.120 -0.001 0.000 0.259 698 V C 1.043 177.107 176.094 -0.050 0.000 1.116 698 V CA 0.356 62.680 62.300 0.039 0.000 1.127 698 V CB -0.543 31.313 31.823 0.055 0.000 0.742 698 V HN 0.407 nan 8.190 nan 0.000 0.474 699 C N 2.999 122.271 119.300 -0.048 0.000 2.648 699 C HA 0.197 4.656 4.460 -0.001 0.000 0.415 699 C C -0.532 174.395 174.990 -0.106 0.000 1.366 699 C CA -1.035 57.958 59.018 -0.042 0.000 1.756 699 C CB 0.445 28.179 27.740 -0.011 0.000 2.549 699 C HN 0.339 nan 8.230 nan 0.000 0.597 700 P HA 0.064 nan 4.420 nan 0.000 0.242 700 P C 0.005 176.999 177.300 -0.510 0.000 1.197 700 P CA 1.270 64.207 63.100 -0.272 0.000 0.765 700 P CB -0.018 31.569 31.700 -0.190 0.000 0.936 701 H N -3.280 115.719 119.070 -0.117 0.000 3.398 701 H HA 0.295 4.850 4.556 -0.001 0.000 0.260 701 H C 0.558 175.880 175.328 -0.010 0.000 1.189 701 H CA 0.095 56.105 56.048 -0.063 0.000 1.145 701 H CB 0.311 30.089 29.762 0.027 0.000 1.599 701 H HN -0.216 nan 8.280 nan 0.000 0.615 702 S N -0.081 115.616 115.700 -0.005 0.000 3.586 702 S HA -0.242 4.227 4.470 -0.001 0.000 0.309 702 S C 1.329 176.030 174.600 0.169 0.000 1.195 702 S CA 0.498 58.681 58.200 -0.028 0.000 0.895 702 S CB -1.443 61.605 63.200 -0.252 0.000 0.983 702 S HN 0.670 nan 8.310 nan 0.000 0.563 703 A N -0.079 122.847 122.820 0.177 0.000 2.259 703 A HA 0.473 4.793 4.320 -0.001 0.000 0.208 703 A C 0.572 178.193 177.584 0.061 0.000 1.201 703 A CA 0.335 52.465 52.037 0.155 0.000 0.824 703 A CB -0.059 18.998 19.000 0.096 0.000 0.838 703 A HN 0.644 nan 8.150 nan 0.000 0.485 704 I N 0.520 121.107 120.570 0.029 0.000 2.389 704 I HA 0.319 4.488 4.170 -0.001 0.000 0.288 704 I C -1.082 175.011 176.117 -0.040 0.000 0.999 704 I CA -0.826 60.457 61.300 -0.028 0.000 1.129 704 I CB 2.002 39.975 38.000 -0.044 0.000 1.288 704 I HN 0.070 nan 8.210 nan 0.000 0.444 705 L N 10.085 131.268 121.223 -0.067 0.000 2.295 705 L HA 0.610 4.949 4.340 -0.001 0.000 0.281 705 L C -2.595 174.197 176.870 -0.131 0.000 1.018 705 L CA -2.089 52.715 54.840 -0.060 0.000 0.841 705 L CB 0.920 42.971 42.059 -0.014 0.000 1.218 705 L HN 0.213 nan 8.230 nan 0.000 0.424 706 P HA 0.167 nan 4.420 nan 0.000 0.276 706 P C -0.987 176.312 177.300 -0.002 0.000 1.253 706 P CA -0.044 62.983 63.100 -0.121 0.000 0.766 706 P CB 0.929 32.640 31.700 0.018 0.000 0.845 707 V N 5.614 125.407 119.914 -0.201 0.000 2.394 707 V HA 0.348 4.467 4.120 -0.001 0.000 0.282 707 V C 0.045 176.101 176.094 -0.063 0.000 1.031 707 V CA -0.466 61.787 62.300 -0.078 0.000 0.881 707 V CB 1.415 33.206 31.823 -0.053 0.000 0.982 707 V HN 0.354 nan 8.190 nan 0.000 0.451 708 L N 5.233 126.410 121.223 -0.077 0.000 2.377 708 L HA 0.877 5.216 4.340 -0.001 0.000 0.270 708 L C -0.052 176.784 176.870 -0.057 0.000 0.991 708 L CA 0.022 54.759 54.840 -0.172 0.000 0.851 708 L CB 1.155 42.789 42.059 -0.708 0.000 1.218 708 L HN 0.768 nan 8.230 nan 0.000 0.420 709 A N 4.980 127.880 122.820 0.133 0.000 2.413 709 A HA 0.826 5.145 4.320 -0.001 0.000 0.307 709 A C -1.072 176.697 177.584 0.307 0.000 1.087 709 A CA -0.840 51.322 52.037 0.209 0.000 0.750 709 A CB 1.374 20.491 19.000 0.195 0.000 1.296 709 A HN 0.508 nan 8.150 nan 0.000 0.423 710 K N 1.195 121.726 120.400 0.218 0.000 2.118 710 K HA 0.219 4.539 4.320 -0.001 0.000 0.267 710 K C 0.515 177.158 176.600 0.070 0.000 0.991 710 K CA 0.064 56.392 56.287 0.068 0.000 0.916 710 K CB 1.429 33.904 32.500 -0.043 0.000 1.041 710 K HN 0.900 nan 8.250 nan 0.000 0.455 711 E N 1.233 121.458 120.200 0.042 0.000 2.233 711 E HA -0.255 4.094 4.350 -0.001 0.000 0.199 711 E C 0.658 177.290 176.600 0.054 0.000 1.004 711 E CA 1.378 57.812 56.400 0.056 0.000 0.819 711 E CB 0.034 29.755 29.700 0.035 0.000 0.738 711 E HN 0.519 nan 8.360 nan 0.000 0.478 712 E N 1.004 121.226 120.200 0.038 0.000 2.285 712 E HA -0.106 4.243 4.350 -0.001 0.000 0.194 712 E C 1.654 178.286 176.600 0.054 0.000 0.997 712 E CA 0.884 57.306 56.400 0.036 0.000 0.845 712 E CB -0.005 29.705 29.700 0.018 0.000 0.782 712 E HN 0.599 nan 8.360 nan 0.000 0.491 713 E N 0.052 120.292 120.200 0.067 0.000 2.358 713 E HA -0.061 4.289 4.350 -0.001 0.000 0.195 713 E C 1.000 177.690 176.600 0.150 0.000 1.010 713 E CA 0.187 56.632 56.400 0.076 0.000 0.856 713 E CB 0.195 29.934 29.700 0.065 0.000 0.795 713 E HN 0.024 nan 8.360 nan 0.000 0.504 714 L N 0.242 121.554 121.223 0.149 0.000 2.607 714 L HA 0.039 4.378 4.340 -0.001 0.000 0.228 714 L C 1.641 178.558 176.870 0.078 0.000 1.123 714 L CA 0.462 55.401 54.840 0.164 0.000 0.890 714 L CB 0.528 42.698 42.059 0.184 0.000 1.103 714 L HN -0.037 nan 8.230 nan 0.000 0.468 715 V N -0.336 119.626 119.914 0.081 0.000 2.515 715 V HA -0.105 4.015 4.120 -0.001 0.000 0.250 715 V C 2.028 178.128 176.094 0.010 0.000 1.058 715 V CA 1.795 64.118 62.300 0.039 0.000 1.064 715 V CB -0.722 31.126 31.823 0.041 0.000 0.675 715 V HN 0.551 nan 8.190 nan 0.000 0.461 716 G N -0.774 108.064 108.800 0.062 0.000 3.434 716 G HA2 0.478 4.437 3.960 -0.001 0.000 0.258 716 G HA3 0.478 4.437 3.960 -0.001 0.000 0.258 716 G C 0.361 175.069 174.900 -0.320 0.000 1.128 716 G CA 0.560 45.672 45.100 0.019 0.000 0.792 716 G HN 0.541 nan 8.290 nan 0.000 0.539 717 A N 0.783 123.199 122.820 -0.673 0.000 2.302 717 A HA 0.746 5.065 4.320 -0.001 0.000 0.285 717 A C -2.084 175.176 177.584 -0.539 0.000 1.105 717 A CA -1.118 50.171 52.037 -1.246 0.000 0.816 717 A CB 0.507 18.811 19.000 -1.159 0.000 1.067 717 A HN 0.183 nan 8.150 nan 0.000 0.489 718 P HA 0.283 nan 4.420 nan 0.000 0.269 718 P C 0.807 178.084 177.300 -0.038 0.000 1.215 718 P CA 0.389 63.395 63.100 -0.156 0.000 0.780 718 P CB 0.694 32.344 31.700 -0.084 0.000 0.898 719 A N 2.649 125.463 122.820 -0.009 0.000 1.940 719 A HA -0.202 4.118 4.320 -0.001 0.000 0.219 719 A C 1.503 179.121 177.584 0.056 0.000 1.176 719 A CA 1.743 53.792 52.037 0.020 0.000 0.631 719 A CB -1.206 17.800 19.000 0.010 0.000 0.814 719 A HN 0.793 nan 8.150 nan 0.000 0.446 720 N N -1.798 116.944 118.700 0.070 0.000 2.370 720 N HA 0.009 4.749 4.740 -0.001 0.000 0.198 720 N C 0.142 175.723 175.510 0.118 0.000 1.156 720 N CA -0.200 52.896 53.050 0.077 0.000 0.839 720 N CB -0.105 38.417 38.487 0.060 0.000 0.989 720 N HN 0.329 nan 8.380 nan 0.000 0.468 721 F N 3.400 123.343 119.950 -0.011 0.000 2.668 721 F HA 0.101 4.627 4.527 -0.001 0.000 0.365 721 F C 0.174 176.005 175.800 0.052 0.000 1.165 721 F CA -0.196 57.805 58.000 0.002 0.000 1.344 721 F CB -0.895 38.058 39.000 -0.078 0.000 1.658 721 F HN -0.142 nan 8.300 nan 0.000 0.620 722 T N 2.507 117.060 114.554 -0.003 0.000 2.871 722 T HA 0.399 4.748 4.350 -0.001 0.000 0.296 722 T C 0.306 175.041 174.700 0.058 0.000 0.998 722 T CA 0.128 62.254 62.100 0.042 0.000 1.162 722 T CB 0.535 69.432 68.868 0.048 0.000 0.947 722 T HN 0.498 nan 8.240 nan 0.000 0.536 723 A N 3.732 126.617 122.820 0.108 0.000 2.380 723 A HA 0.817 5.136 4.320 -0.001 0.000 0.315 723 A C -0.457 177.250 177.584 0.205 0.000 1.101 723 A CA -0.920 51.212 52.037 0.157 0.000 0.771 723 A CB 1.072 20.160 19.000 0.146 0.000 1.287 723 A HN 0.790 nan 8.150 nan 0.000 0.436 724 L N 0.620 122.021 121.223 0.298 0.000 2.365 724 L HA 0.459 4.798 4.340 -0.001 0.000 0.267 724 L C 0.406 177.419 176.870 0.240 0.000 1.033 724 L CA -0.868 54.129 54.840 0.260 0.000 0.802 724 L CB 1.333 43.602 42.059 0.350 0.000 1.267 724 L HN 0.865 nan 8.230 nan 0.000 0.457 725 E N 0.904 121.209 120.200 0.175 0.000 2.229 725 E HA 0.459 4.808 4.350 -0.001 0.000 0.283 725 E C -0.605 176.099 176.600 0.173 0.000 1.030 725 E CA -0.777 55.719 56.400 0.159 0.000 0.836 725 E CB 1.308 31.071 29.700 0.106 0.000 1.068 725 E HN 0.567 nan 8.360 nan 0.000 0.401 726 A N 4.313 127.255 122.820 0.204 0.000 2.546 726 A HA 0.041 4.360 4.320 -0.001 0.000 0.243 726 A C -0.033 177.604 177.584 0.088 0.000 1.063 726 A CA -0.077 52.060 52.037 0.166 0.000 0.757 726 A CB 0.046 19.171 19.000 0.208 0.000 0.991 726 A HN 0.626 nan 8.150 nan 0.000 0.503 727 K N 1.325 121.738 120.400 0.021 0.000 2.098 727 K HA 0.653 4.973 4.320 -0.001 0.000 0.257 727 K C 0.478 177.085 176.600 0.012 0.000 0.999 727 K CA 0.401 56.693 56.287 0.008 0.000 0.924 727 K CB 0.925 33.411 32.500 -0.023 0.000 1.028 727 K HN 1.579 nan 8.250 nan 0.000 0.466 728 G N 0.522 109.333 108.800 0.019 0.000 2.539 728 G HA2 -0.153 3.807 3.960 -0.001 0.000 0.686 728 G HA3 -0.153 3.807 3.960 -0.001 0.000 0.686 728 G C -0.013 174.913 174.900 0.044 0.000 1.258 728 G CA -0.328 44.788 45.100 0.027 0.000 0.846 728 G HN 0.538 nan 8.290 nan 0.000 0.647 729 K N 0.407 120.832 120.400 0.041 0.000 2.044 729 K HA 0.024 4.343 4.320 -0.001 0.000 0.204 729 K C 2.120 178.758 176.600 0.062 0.000 1.045 729 K CA 2.067 58.380 56.287 0.044 0.000 0.951 729 K CB -0.248 32.272 32.500 0.033 0.000 0.738 729 K HN 0.519 nan 8.250 nan 0.000 0.443 730 E N 1.184 121.423 120.200 0.065 0.000 2.209 730 E HA -0.053 4.296 4.350 -0.001 0.000 0.196 730 E C 0.319 177.003 176.600 0.139 0.000 0.993 730 E CA 0.777 57.226 56.400 0.082 0.000 0.819 730 E CB -0.185 29.554 29.700 0.064 0.000 0.745 730 E HN 0.305 nan 8.360 nan 0.000 0.477 731 L N -0.583 120.726 121.223 0.144 0.000 2.334 731 L HA 0.508 4.847 4.340 -0.001 0.000 0.273 731 L C 0.690 177.691 176.870 0.218 0.000 1.013 731 L CA -0.649 54.350 54.840 0.265 0.000 0.816 731 L CB 1.880 44.023 42.059 0.139 0.000 1.278 731 L HN -0.183 nan 8.230 nan 0.000 0.431 732 K N 0.700 121.239 120.400 0.231 0.000 3.172 732 K HA 0.074 4.393 4.320 -0.001 0.000 0.237 732 K C 1.305 177.928 176.600 0.038 0.000 2.324 732 K CA 0.545 56.888 56.287 0.093 0.000 1.521 732 K CB 0.071 32.599 32.500 0.047 0.000 2.603 732 K HN 0.779 nan 8.250 nan 0.000 0.537 733 G N 0.709 109.463 108.800 -0.078 0.000 3.088 733 G HA2 0.083 4.042 3.960 -0.001 0.000 0.212 733 G HA3 0.083 4.042 3.960 -0.001 0.000 0.212 733 G C -0.080 174.742 174.900 -0.131 0.000 1.173 733 G CA 0.164 45.191 45.100 -0.123 0.000 0.779 733 G HN 0.073 nan 8.290 nan 0.000 0.540 734 Y N 0.759 121.080 120.300 0.036 0.000 2.301 734 Y HA 0.414 4.963 4.550 -0.001 0.000 0.325 734 Y C 0.506 176.459 175.900 0.088 0.000 1.203 734 Y CA -0.668 57.459 58.100 0.045 0.000 1.255 734 Y CB 1.227 39.699 38.460 0.019 0.000 1.232 734 Y HN -0.225 nan 8.280 nan 0.000 0.501 735 K N 3.285 123.865 120.400 0.301 0.000 2.206 735 K HA 0.296 4.615 4.320 -0.001 0.000 0.264 735 K C -1.356 175.416 176.600 0.287 0.000 0.967 735 K CA -0.640 55.800 56.287 0.256 0.000 0.844 735 K CB 1.661 34.285 32.500 0.206 0.000 1.099 735 K HN 0.527 nan 8.250 nan 0.000 0.441 736 F N 2.283 122.321 119.950 0.146 0.000 2.480 736 F HA 0.513 5.040 4.527 -0.001 0.000 0.329 736 F C -0.224 175.633 175.800 0.095 0.000 1.091 736 F CA -0.809 57.265 58.000 0.124 0.000 0.972 736 F CB 1.386 40.484 39.000 0.163 0.000 1.150 736 F HN 0.469 nan 8.300 nan 0.000 0.467 737 R N 6.692 126.650 120.500 -0.902 0.000 2.548 737 R HA 0.465 4.804 4.340 -0.001 0.000 0.280 737 R C -2.080 173.352 176.300 -1.447 0.000 1.061 737 R CA -0.741 54.771 56.100 -0.979 0.000 0.915 737 R CB 1.280 31.188 30.300 -0.654 0.000 1.210 737 R HN 0.627 nan 8.270 nan 0.000 0.442 738 I N 4.238 123.589 120.570 -2.031 0.000 2.291 738 I HA 0.157 4.326 4.170 -0.001 0.000 0.292 738 I C -0.153 175.354 176.117 -1.017 0.000 1.064 738 I CA -0.212 60.191 61.300 -1.495 0.000 1.269 738 I CB 0.979 37.973 38.000 -1.676 0.000 1.418 738 I HN 0.597 nan 8.210 nan 0.000 0.485 739 Q N 6.800 126.264 119.800 -0.559 0.000 2.331 739 Q HA 0.384 4.723 4.340 -0.001 0.000 0.257 739 Q C -0.739 175.158 176.000 -0.172 0.000 0.957 739 Q CA -0.430 55.189 55.803 -0.307 0.000 0.923 739 Q CB 0.904 29.553 28.738 -0.149 0.000 1.212 739 Q HN 0.347 nan 8.270 nan 0.000 0.443 740 I N 3.567 124.073 120.570 -0.107 0.000 2.474 740 I HA 0.140 4.309 4.170 -0.001 0.000 0.287 740 I C 0.374 176.479 176.117 -0.021 0.000 1.048 740 I CA -0.043 61.229 61.300 -0.046 0.000 1.383 740 I CB 0.616 38.612 38.000 -0.006 0.000 1.412 740 I HN 0.753 nan 8.210 nan 0.000 0.531 741 N N 3.666 122.355 118.700 -0.019 0.000 2.645 741 N HA 0.079 4.819 4.740 -0.001 0.000 0.233 741 N C 1.145 176.625 175.510 -0.050 0.000 1.058 741 N CA -0.138 52.890 53.050 -0.037 0.000 0.942 741 N CB 0.574 39.040 38.487 -0.036 0.000 1.210 741 N HN 0.727 nan 8.380 nan 0.000 0.512 742 T N 0.610 115.141 114.554 -0.037 0.000 3.035 742 T HA -0.048 4.301 4.350 -0.001 0.000 0.268 742 T C 1.525 176.195 174.700 -0.051 0.000 1.109 742 T CA 0.600 62.681 62.100 -0.030 0.000 1.119 742 T CB -0.032 68.831 68.868 -0.008 0.000 0.900 742 T HN 0.425 nan 8.240 nan 0.000 0.503 743 L N 0.225 121.398 121.223 -0.083 0.000 2.375 743 L HA 0.204 4.543 4.340 -0.001 0.000 0.215 743 L C 1.931 178.714 176.870 -0.144 0.000 1.108 743 L CA 0.668 55.452 54.840 -0.094 0.000 0.830 743 L CB -0.091 41.911 42.059 -0.095 0.000 0.959 743 L HN 0.156 nan 8.230 nan 0.000 0.457 744 D N -0.887 119.385 120.400 -0.213 0.000 2.367 744 D HA 0.008 4.647 4.640 -0.001 0.000 0.207 744 D C 0.693 176.926 176.300 -0.111 0.000 1.034 744 D CA 0.128 53.978 54.000 -0.250 0.000 0.861 744 D CB 0.220 40.642 40.800 -0.631 0.000 0.943 744 D HN 0.190 nan 8.370 nan 0.000 0.515 745 C N 1.347 120.598 119.300 -0.082 0.000 2.657 745 C HA 0.046 4.505 4.460 -0.001 0.000 0.420 745 C C 1.615 176.535 174.990 -0.118 0.000 1.323 745 C CA -0.062 58.920 59.018 -0.060 0.000 1.894 745 C CB -0.215 27.506 27.740 -0.031 0.000 2.681 745 C HN 0.197 nan 8.230 nan 0.000 0.613 746 M N 3.916 123.421 119.600 -0.159 0.000 2.333 746 M HA 0.205 4.684 4.480 -0.001 0.000 0.257 746 M C 1.666 177.916 176.300 -0.084 0.000 1.078 746 M CA 1.053 56.234 55.300 -0.198 0.000 1.005 746 M CB -0.670 31.683 32.600 -0.413 0.000 1.444 746 M HN 1.180 nan 8.290 nan 0.000 0.496 747 G N 1.143 109.916 108.800 -0.044 0.000 2.147 747 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.244 747 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.244 747 G C 1.014 175.913 174.900 -0.002 0.000 1.005 747 G CA 0.517 45.608 45.100 -0.015 0.000 0.713 747 G HN 0.628 nan 8.290 nan 0.000 0.515 748 C N -1.585 117.717 119.300 0.003 0.000 2.440 748 C HA 0.454 4.913 4.460 -0.001 0.000 0.278 748 C C 2.673 177.673 174.990 0.017 0.000 1.295 748 C CA 1.441 60.468 59.018 0.015 0.000 1.738 748 C CB -0.873 26.884 27.740 0.029 0.000 1.987 748 C HN 2.459 nan 8.230 nan 0.000 0.492 749 G N 0.960 109.771 108.800 0.019 0.000 2.157 749 G HA2 -0.305 3.654 3.960 -0.001 0.000 0.239 749 G HA3 -0.305 3.654 3.960 -0.001 0.000 0.239 749 G C 0.435 175.349 174.900 0.023 0.000 0.982 749 G CA 0.637 45.749 45.100 0.022 0.000 0.650 749 G HN 0.611 nan 8.290 nan 0.000 0.527 750 N N -0.231 118.482 118.700 0.022 0.000 2.166 750 N HA -0.111 4.628 4.740 -0.001 0.000 0.186 750 N C 2.678 178.202 175.510 0.023 0.000 1.019 750 N CA 2.341 55.403 53.050 0.020 0.000 0.856 750 N CB -0.396 38.098 38.487 0.011 0.000 0.993 750 N HN 0.933 nan 8.380 nan 0.000 0.426 751 C N -0.212 119.105 119.300 0.027 0.000 2.432 751 C HA 0.119 4.578 4.460 -0.001 0.000 0.277 751 C C 2.662 177.678 174.990 0.043 0.000 1.249 751 C CA 0.522 59.561 59.018 0.035 0.000 1.725 751 C CB -1.340 26.422 27.740 0.036 0.000 2.028 751 C HN 0.357 nan 8.230 nan 0.000 0.477 752 A N 0.795 123.640 122.820 0.043 0.000 2.067 752 A HA -0.063 4.256 4.320 -0.001 0.000 0.217 752 A C 1.861 179.466 177.584 0.035 0.000 1.156 752 A CA 1.803 53.867 52.037 0.046 0.000 0.683 752 A CB -0.805 18.223 19.000 0.045 0.000 0.808 752 A HN 0.659 nan 8.150 nan 0.000 0.455 753 D N -0.688 119.729 120.400 0.029 0.000 2.178 753 D HA -0.094 4.545 4.640 -0.001 0.000 0.202 753 D C 1.425 177.738 176.300 0.022 0.000 0.974 753 D CA 1.047 55.062 54.000 0.024 0.000 0.841 753 D CB -0.050 40.763 40.800 0.023 0.000 0.953 753 D HN 0.321 nan 8.370 nan 0.000 0.478 754 I N -0.049 120.535 120.570 0.023 0.000 3.035 754 I HA 0.078 4.247 4.170 -0.001 0.000 0.271 754 I C 0.403 176.531 176.117 0.018 0.000 1.190 754 I CA 0.032 61.342 61.300 0.016 0.000 1.472 754 I CB -0.016 37.992 38.000 0.012 0.000 1.116 754 I HN 0.095 nan 8.210 nan 0.000 0.443 755 C N 4.165 123.485 119.300 0.033 0.000 2.250 755 C HA -0.076 4.383 4.460 -0.001 0.000 0.405 755 C C -0.437 174.570 174.990 0.029 0.000 1.516 755 C CA -0.916 58.129 59.018 0.045 0.000 1.412 755 C CB -0.327 27.453 27.740 0.066 0.000 2.534 755 C HN 0.284 nan 8.230 nan 0.000 0.621 756 P HA -0.068 nan 4.420 nan 0.000 0.216 756 P C -1.741 175.563 177.300 0.006 0.000 1.157 756 P CA 1.311 64.414 63.100 0.005 0.000 0.880 756 P CB -1.001 30.696 31.700 -0.005 0.000 0.791 757 P HA -0.039 nan 4.420 nan 0.000 0.264 757 P C 0.344 177.647 177.300 0.005 0.000 1.193 757 P CA 0.582 63.686 63.100 0.006 0.000 0.763 757 P CB 0.656 32.361 31.700 0.008 0.000 0.810 758 K N 1.940 122.340 120.400 0.000 0.000 2.152 758 K HA -0.115 4.204 4.320 -0.001 0.000 0.206 758 K C 0.818 177.418 176.600 -0.001 0.000 1.048 758 K CA 1.048 57.335 56.287 0.000 0.000 0.933 758 K CB -0.097 32.402 32.500 -0.002 0.000 0.721 758 K HN 0.568 nan 8.250 nan 0.000 0.447 759 E N 2.886 123.083 120.200 -0.005 0.000 1.924 759 E HA 0.104 4.453 4.350 -0.001 0.000 0.261 759 E C -0.685 175.910 176.600 -0.010 0.000 1.088 759 E CA -0.248 56.145 56.400 -0.010 0.000 0.909 759 E CB 0.342 30.032 29.700 -0.017 0.000 1.112 759 E HN -0.050 nan 8.360 nan 0.000 0.425 760 K N 1.479 121.878 120.400 -0.002 0.000 2.527 760 K HA 0.031 4.350 4.320 -0.001 0.000 0.278 760 K C 0.723 177.326 176.600 0.003 0.000 0.981 760 K CA 0.366 56.660 56.287 0.010 0.000 1.009 760 K CB 0.870 33.381 32.500 0.018 0.000 0.895 760 K HN 0.604 nan 8.250 nan 0.000 0.493 761 A N 3.786 126.626 122.820 0.034 0.000 2.308 761 A HA 0.176 4.495 4.320 -0.001 0.000 0.217 761 A C 0.424 178.072 177.584 0.107 0.000 1.216 761 A CA 0.164 52.212 52.037 0.019 0.000 0.864 761 A CB 0.192 19.230 19.000 0.062 0.000 0.902 761 A HN 0.540 nan 8.150 nan 0.000 0.499 762 L N 0.343 121.634 121.223 0.113 0.000 2.385 762 L HA 0.580 4.919 4.340 -0.001 0.000 0.273 762 L C -1.350 175.562 176.870 0.070 0.000 0.990 762 L CA -0.771 54.147 54.840 0.130 0.000 0.821 762 L CB 2.452 44.593 42.059 0.137 0.000 1.279 762 L HN -0.096 nan 8.230 nan 0.000 0.412 763 V N 3.629 123.579 119.914 0.060 0.000 2.577 763 V HA 0.416 4.535 4.120 -0.001 0.000 0.303 763 V C 0.039 176.156 176.094 0.037 0.000 1.042 763 V CA -0.691 61.631 62.300 0.037 0.000 0.872 763 V CB 2.065 33.901 31.823 0.021 0.000 0.998 763 V HN 0.631 nan 8.190 nan 0.000 0.423 764 M N 4.903 124.521 119.600 0.030 0.000 2.238 764 M HA 0.382 4.861 4.480 -0.001 0.000 0.350 764 M C -0.144 176.169 176.300 0.022 0.000 1.321 764 M CA 0.567 55.883 55.300 0.026 0.000 1.097 764 M CB 0.234 32.847 32.600 0.021 0.000 1.713 764 M HN 0.640 nan 8.290 nan 0.000 0.455 765 Q N 3.072 122.885 119.800 0.023 0.000 2.495 765 Q HA 0.592 4.932 4.340 -0.001 0.000 0.287 765 Q C -2.555 173.456 176.000 0.018 0.000 1.078 765 Q CA -1.941 53.874 55.803 0.020 0.000 0.793 765 Q CB 1.477 30.229 28.738 0.023 0.000 1.459 765 Q HN 0.321 nan 8.270 nan 0.000 0.422 766 P HA -0.035 nan 4.420 nan 0.000 0.268 766 P C 0.810 178.121 177.300 0.019 0.000 1.204 766 P CA -0.182 62.928 63.100 0.017 0.000 0.768 766 P CB 0.471 32.181 31.700 0.017 0.000 0.842 767 L N 4.661 125.894 121.223 0.017 0.000 2.021 767 L HA -0.269 4.070 4.340 -0.001 0.000 0.215 767 L C 1.358 178.242 176.870 0.022 0.000 1.074 767 L CA 2.447 57.297 54.840 0.017 0.000 0.760 767 L CB -1.600 40.469 42.059 0.015 0.000 0.889 767 L HN 0.407 nan 8.230 nan 0.000 0.433 768 D N -2.276 118.140 120.400 0.026 0.000 2.221 768 D HA -0.209 4.430 4.640 -0.001 0.000 0.204 768 D C 1.811 178.129 176.300 0.030 0.000 0.982 768 D CA 1.327 55.346 54.000 0.032 0.000 0.857 768 D CB -0.823 40.000 40.800 0.038 0.000 0.934 768 D HN 0.577 nan 8.370 nan 0.000 0.475 769 T N -3.583 110.987 114.554 0.027 0.000 3.113 769 T HA 0.012 4.362 4.350 -0.001 0.000 0.256 769 T C 1.491 176.207 174.700 0.027 0.000 1.131 769 T CA 0.264 62.380 62.100 0.026 0.000 1.074 769 T CB 0.147 69.029 68.868 0.023 0.000 0.944 769 T HN 0.041 nan 8.240 nan 0.000 0.516 770 Q N 0.706 120.522 119.800 0.027 0.000 2.369 770 Q HA 0.209 4.548 4.340 -0.001 0.000 0.254 770 Q C 2.443 178.460 176.000 0.028 0.000 0.858 770 Q CA 0.287 56.107 55.803 0.029 0.000 0.961 770 Q CB 0.112 28.867 28.738 0.029 0.000 1.119 770 Q HN 0.738 nan 8.270 nan 0.000 0.538 771 R N 1.136 121.651 120.500 0.025 0.000 2.073 771 R HA -0.107 4.232 4.340 -0.001 0.000 0.234 771 R C 0.949 177.264 176.300 0.025 0.000 1.134 771 R CA 1.689 57.802 56.100 0.022 0.000 0.952 771 R CB -0.450 29.862 30.300 0.020 0.000 0.850 771 R HN -0.032 nan 8.270 nan 0.000 0.433 772 D N 1.225 121.641 120.400 0.026 0.000 2.182 772 D HA -0.112 4.527 4.640 -0.001 0.000 0.201 772 D C 1.896 178.214 176.300 0.030 0.000 0.986 772 D CA 1.763 55.778 54.000 0.025 0.000 0.847 772 D CB -0.101 40.713 40.800 0.023 0.000 0.942 772 D HN 0.492 nan 8.370 nan 0.000 0.467 773 A N 0.553 123.395 122.820 0.035 0.000 1.861 773 A HA -0.087 4.232 4.320 -0.001 0.000 0.212 773 A C 2.059 179.679 177.584 0.060 0.000 1.199 773 A CA 0.712 52.777 52.037 0.046 0.000 0.613 773 A CB -0.172 18.856 19.000 0.047 0.000 0.846 773 A HN -0.025 nan 8.150 nan 0.000 0.446 774 Q N 0.022 119.854 119.800 0.053 0.000 2.297 774 Q HA -0.015 4.324 4.340 -0.001 0.000 0.204 774 Q C 2.164 178.197 176.000 0.055 0.000 0.962 774 Q CA 1.062 56.900 55.803 0.059 0.000 0.879 774 Q CB -0.761 28.002 28.738 0.041 0.000 0.947 774 Q HN 0.452 nan 8.270 nan 0.000 0.462 775 V N 2.284 122.221 119.914 0.038 0.000 2.295 775 V HA -0.173 3.946 4.120 -0.001 0.000 0.246 775 V C -0.655 175.465 176.094 0.044 0.000 1.049 775 V CA 2.093 64.409 62.300 0.027 0.000 1.024 775 V CB -1.619 30.212 31.823 0.013 0.000 0.648 775 V HN 0.268 nan 8.190 nan 0.000 0.447 776 P HA -0.122 nan 4.420 nan 0.000 0.219 776 P C 1.182 178.543 177.300 0.101 0.000 1.150 776 P CA 1.459 64.595 63.100 0.060 0.000 0.814 776 P CB -0.228 31.497 31.700 0.042 0.000 0.787 777 N N -0.205 118.581 118.700 0.145 0.000 2.120 777 N HA -0.091 4.648 4.740 -0.001 0.000 0.188 777 N C 1.889 177.578 175.510 0.300 0.000 1.024 777 N CA 0.333 53.556 53.050 0.287 0.000 0.852 777 N CB -0.430 38.264 38.487 0.346 0.000 1.003 777 N HN 0.029 nan 8.380 nan 0.000 0.424 778 L N 1.966 123.292 121.223 0.170 0.000 2.046 778 L HA -0.145 4.194 4.340 -0.001 0.000 0.208 778 L C 1.841 178.766 176.870 0.091 0.000 1.077 778 L CA 1.813 56.722 54.840 0.115 0.000 0.747 778 L CB -0.581 41.504 42.059 0.043 0.000 0.896 778 L HN 0.205 nan 8.230 nan 0.000 0.432 779 E N -0.938 119.306 120.200 0.074 0.000 2.153 779 E HA -0.266 4.084 4.350 -0.001 0.000 0.194 779 E C 1.910 178.536 176.600 0.044 0.000 0.988 779 E CA 1.214 57.641 56.400 0.045 0.000 0.811 779 E CB -0.466 29.257 29.700 0.038 0.000 0.746 779 E HN 0.602 nan 8.360 nan 0.000 0.466 780 Y N 1.159 121.421 120.300 -0.064 0.000 2.206 780 Y HA -0.035 4.514 4.550 -0.001 0.000 0.292 780 Y C 2.360 178.173 175.900 -0.145 0.000 1.123 780 Y CA 1.401 59.405 58.100 -0.160 0.000 1.142 780 Y CB -0.321 37.939 38.460 -0.334 0.000 1.006 780 Y HN 0.004 nan 8.280 nan 0.000 0.518 781 A N 0.609 123.498 122.820 0.114 0.000 1.978 781 A HA -0.195 4.124 4.320 -0.001 0.000 0.220 781 A C 2.311 179.901 177.584 0.009 0.000 1.170 781 A CA 1.855 53.988 52.037 0.159 0.000 0.636 781 A CB -1.455 17.733 19.000 0.313 0.000 0.810 781 A HN 0.596 nan 8.150 nan 0.000 0.448 782 A N -0.329 122.485 122.820 -0.011 0.000 2.121 782 A HA -0.080 4.239 4.320 -0.001 0.000 0.218 782 A C 2.007 179.540 177.584 -0.085 0.000 1.154 782 A CA 1.429 53.448 52.037 -0.030 0.000 0.679 782 A CB -0.296 18.696 19.000 -0.013 0.000 0.795 782 A HN 0.562 nan 8.150 nan 0.000 0.458 783 R N -0.627 119.766 120.500 -0.179 0.000 2.317 783 R HA 0.355 4.694 4.340 -0.001 0.000 0.208 783 R C -0.168 175.997 176.300 -0.225 0.000 0.914 783 R CA -0.000 55.972 56.100 -0.212 0.000 1.060 783 R CB -0.054 30.077 30.300 -0.282 0.000 1.015 783 R HN 0.431 nan 8.270 nan 0.000 0.498 784 I N 2.846 123.296 120.570 -0.200 0.000 2.416 784 I HA 0.167 4.337 4.170 -0.001 0.000 0.288 784 I C -1.988 174.090 176.117 -0.066 0.000 1.051 784 I CA -2.364 58.858 61.300 -0.130 0.000 1.375 784 I CB 0.894 38.857 38.000 -0.062 0.000 1.407 784 I HN -0.214 nan 8.210 nan 0.000 0.516 785 P HA 0.044 nan 4.420 nan 0.000 0.267 785 P C -0.500 176.781 177.300 -0.031 0.000 1.205 785 P CA -0.168 62.912 63.100 -0.034 0.000 0.765 785 P CB 0.424 32.109 31.700 -0.024 0.000 0.828 786 V N 5.387 125.287 119.914 -0.023 0.000 2.555 786 V HA 0.048 4.167 4.120 -0.001 0.000 0.286 786 V C 1.008 177.078 176.094 -0.041 0.000 1.044 786 V CA 0.105 62.395 62.300 -0.016 0.000 1.026 786 V CB 0.372 32.202 31.823 0.012 0.000 0.981 786 V HN 0.414 nan 8.190 nan 0.000 0.480 787 K N 3.712 124.047 120.400 -0.108 0.000 2.363 787 K HA 0.168 4.487 4.320 -0.001 0.000 0.240 787 K C 1.230 177.779 176.600 -0.086 0.000 1.169 787 K CA 0.053 56.240 56.287 -0.168 0.000 1.131 787 K CB 0.447 32.707 32.500 -0.401 0.000 1.771 787 K HN 0.815 nan 8.250 nan 0.000 0.380 788 S N -0.706 114.988 115.700 -0.011 0.000 2.515 788 S HA -0.050 4.420 4.470 -0.001 0.000 0.231 788 S C 1.298 175.909 174.600 0.019 0.000 0.987 788 S CA 0.516 58.734 58.200 0.029 0.000 0.936 788 S CB 0.113 63.325 63.200 0.020 0.000 0.766 788 S HN 0.349 nan 8.310 nan 0.000 0.528 789 E N 0.215 120.414 120.200 -0.002 0.000 2.481 789 E HA 0.294 4.643 4.350 -0.001 0.000 0.198 789 E C 1.506 178.110 176.600 0.007 0.000 1.027 789 E CA -0.031 56.373 56.400 0.007 0.000 0.900 789 E CB 0.399 30.105 29.700 0.009 0.000 0.993 789 E HN 0.327 nan 8.360 nan 0.000 0.482 790 V N -0.328 119.574 119.914 -0.020 0.000 2.599 790 V HA 0.186 4.305 4.120 -0.001 0.000 0.245 790 V C 0.530 176.636 176.094 0.020 0.000 1.046 790 V CA 0.865 63.148 62.300 -0.028 0.000 1.065 790 V CB 0.262 31.980 31.823 -0.174 0.000 0.703 790 V HN 0.074 nan 8.190 nan 0.000 0.464 791 L N 0.116 121.376 121.223 0.062 0.000 2.323 791 L HA 0.501 4.840 4.340 -0.001 0.000 0.265 791 L C -2.451 174.459 176.870 0.066 0.000 1.012 791 L CA -2.040 52.851 54.840 0.085 0.000 0.820 791 L CB 1.909 44.059 42.059 0.151 0.000 1.334 791 L HN 0.016 nan 8.230 nan 0.000 0.427 792 P HA 0.090 nan 4.420 nan 0.000 0.267 792 P C 0.052 177.367 177.300 0.025 0.000 1.205 792 P CA -0.110 63.009 63.100 0.031 0.000 0.765 792 P CB 0.592 32.307 31.700 0.025 0.000 0.828 793 R N 3.163 123.668 120.500 0.009 0.000 2.159 793 R HA -0.156 4.183 4.340 -0.001 0.000 0.237 793 R C 0.729 177.003 176.300 -0.043 0.000 1.131 793 R CA 1.728 57.817 56.100 -0.018 0.000 0.982 793 R CB -0.119 30.159 30.300 -0.038 0.000 0.868 793 R HN 0.529 nan 8.270 nan 0.000 0.453 794 D N -0.314 120.066 120.400 -0.033 0.000 2.388 794 D HA -0.018 4.621 4.640 -0.001 0.000 0.221 794 D C -0.184 176.117 176.300 0.001 0.000 1.133 794 D CA -0.194 53.784 54.000 -0.038 0.000 0.831 794 D CB 0.185 40.964 40.800 -0.035 0.000 0.962 794 D HN 0.123 nan 8.370 nan 0.000 0.502 795 S N -0.795 114.910 115.700 0.009 0.000 2.616 795 S HA 0.298 4.767 4.470 -0.001 0.000 0.277 795 S C 1.268 175.876 174.600 0.013 0.000 1.234 795 S CA -0.902 57.303 58.200 0.007 0.000 1.028 795 S CB 1.975 65.178 63.200 0.006 0.000 0.988 795 S HN 0.142 nan 8.310 nan 0.000 0.522 796 L N 1.437 122.644 121.223 -0.027 0.000 1.956 796 L HA -0.168 4.171 4.340 -0.001 0.000 0.216 796 L C 2.808 179.651 176.870 -0.045 0.000 1.073 796 L CA 2.033 56.825 54.840 -0.080 0.000 0.762 796 L CB -0.437 41.492 42.059 -0.216 0.000 0.889 796 L HN 0.978 nan 8.230 nan 0.000 0.433 797 K N -0.804 119.537 120.400 -0.098 0.000 2.057 797 K HA -0.144 4.175 4.320 -0.001 0.000 0.206 797 K C 1.823 178.278 176.600 -0.241 0.000 1.050 797 K CA 1.358 57.537 56.287 -0.181 0.000 0.935 797 K CB -0.301 32.112 32.500 -0.144 0.000 0.715 797 K HN 0.512 nan 8.250 nan 0.000 0.439 798 G N 0.267 109.027 108.800 -0.068 0.000 2.448 798 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.218 798 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.218 798 G C 1.457 176.354 174.900 -0.005 0.000 1.135 798 G CA 0.882 45.998 45.100 0.026 0.000 0.784 798 G HN 0.483 nan 8.290 nan 0.000 0.543 799 S N 0.112 115.805 115.700 -0.012 0.000 2.419 799 S HA -0.077 4.392 4.470 -0.001 0.000 0.233 799 S C 1.888 176.454 174.600 -0.056 0.000 1.016 799 S CA 1.014 59.208 58.200 -0.010 0.000 0.974 799 S CB -0.099 63.144 63.200 0.073 0.000 0.786 799 S HN 0.279 nan 8.310 nan 0.000 0.492 800 Q N -0.010 119.717 119.800 -0.122 0.000 2.403 800 Q HA 0.340 4.679 4.340 -0.001 0.000 0.203 800 Q C 0.257 176.134 176.000 -0.205 0.000 0.932 800 Q CA 0.216 55.910 55.803 -0.181 0.000 0.945 800 Q CB -0.410 28.221 28.738 -0.178 0.000 1.045 800 Q HN 0.782 nan 8.270 nan 0.000 0.511 801 F N 0.596 120.547 119.950 0.002 0.000 2.647 801 F HA 0.171 4.698 4.527 -0.001 0.000 0.300 801 F C 0.738 176.516 175.800 -0.036 0.000 1.106 801 F CA -0.496 57.492 58.000 -0.019 0.000 1.313 801 F CB 0.814 39.798 39.000 -0.027 0.000 1.007 801 F HN -0.118 nan 8.300 nan 0.000 0.536 802 Q N 0.711 120.566 119.800 0.091 0.000 2.248 802 Q HA 0.267 4.607 4.340 -0.001 0.000 0.263 802 Q C -0.325 175.671 176.000 -0.005 0.000 1.007 802 Q CA -0.615 55.204 55.803 0.027 0.000 0.877 802 Q CB 1.490 30.214 28.738 -0.022 0.000 1.315 802 Q HN 0.305 nan 8.270 nan 0.000 0.454 803 E N 3.120 123.309 120.200 -0.019 0.000 2.299 803 E HA 0.137 4.486 4.350 -0.001 0.000 0.272 803 E C -2.086 174.471 176.600 -0.071 0.000 1.043 803 E CA -1.524 54.853 56.400 -0.039 0.000 0.895 803 E CB 0.427 30.107 29.700 -0.032 0.000 1.011 803 E HN 0.171 nan 8.360 nan 0.000 0.432 804 P HA 0.041 nan 4.420 nan 0.000 0.276 804 P C -0.284 176.930 177.300 -0.144 0.000 1.243 804 P CA -0.264 62.751 63.100 -0.142 0.000 0.768 804 P CB 0.756 32.348 31.700 -0.181 0.000 0.856 805 L N 3.096 124.255 121.223 -0.107 0.000 2.872 805 L HA 0.366 4.706 4.340 -0.001 0.000 0.245 805 L C 0.448 177.266 176.870 -0.087 0.000 1.211 805 L CA 0.514 55.317 54.840 -0.062 0.000 1.013 805 L CB -0.450 41.621 42.059 0.019 0.000 1.326 805 L HN 0.439 nan 8.230 nan 0.000 0.525 806 M N 0.829 120.283 119.600 -0.243 0.000 2.164 806 M HA 0.381 4.860 4.480 -0.001 0.000 0.260 806 M C -1.498 174.523 176.300 -0.464 0.000 0.974 806 M CA 0.168 55.196 55.300 -0.455 0.000 1.020 806 M CB 1.439 33.653 32.600 -0.643 0.000 1.903 806 M HN 0.138 nan 8.290 nan 0.000 0.469 807 E N 3.939 123.813 120.200 -0.543 0.000 2.367 807 E HA 0.538 4.887 4.350 -0.001 0.000 0.273 807 E C -0.788 175.443 176.600 -0.616 0.000 0.903 807 E CA -0.811 55.101 56.400 -0.813 0.000 0.764 807 E CB 1.937 30.712 29.700 -1.543 0.000 1.252 807 E HN 0.695 nan 8.360 nan 0.000 0.446 808 F N -0.026 119.899 119.950 -0.042 0.000 3.074 808 F HA -0.273 4.254 4.527 -0.001 0.000 0.287 808 F C 0.814 176.670 175.800 0.094 0.000 0.932 808 F CA 0.120 58.157 58.000 0.061 0.000 0.995 808 F CB -1.908 37.104 39.000 0.020 0.000 0.966 808 F HN 0.351 nan 8.300 nan 0.000 0.721 809 S N 0.515 116.300 115.700 0.141 0.000 2.634 809 S HA 0.544 5.013 4.470 -0.001 0.000 0.261 809 S C 1.261 176.005 174.600 0.240 0.000 1.271 809 S CA -0.170 58.103 58.200 0.122 0.000 0.985 809 S CB 1.705 64.889 63.200 -0.028 0.000 0.968 809 S HN 0.509 nan 8.310 nan 0.000 0.568 810 G N -0.234 108.716 108.800 0.249 0.000 3.279 810 G HA2 0.463 4.423 3.960 -0.001 0.000 0.230 810 G HA3 0.463 4.423 3.960 -0.001 0.000 0.230 810 G C 0.444 175.506 174.900 0.270 0.000 1.230 810 G CA -0.005 45.246 45.100 0.252 0.000 0.891 810 G HN 1.098 nan 8.290 nan 0.000 0.518 811 A N -0.587 122.355 122.820 0.205 0.000 2.366 811 A HA 0.445 4.764 4.320 -0.001 0.000 0.249 811 A C 0.893 178.596 177.584 0.199 0.000 1.084 811 A CA -0.371 51.723 52.037 0.096 0.000 0.794 811 A CB 0.130 18.861 19.000 -0.449 0.000 1.034 811 A HN 0.348 nan 8.150 nan 0.000 0.491 812 C N 1.103 120.490 119.300 0.145 0.000 2.702 812 C HA 0.255 4.714 4.460 -0.001 0.000 0.411 812 C C 1.257 176.348 174.990 0.169 0.000 1.286 812 C CA -0.222 58.875 59.018 0.132 0.000 1.979 812 C CB -0.573 27.221 27.740 0.090 0.000 2.728 812 C HN 0.838 nan 8.230 nan 0.000 0.652 813 S N 1.434 117.191 115.700 0.096 0.000 2.544 813 S HA 0.393 4.862 4.470 -0.001 0.000 0.290 813 S C 1.186 175.835 174.600 0.082 0.000 1.276 813 S CA 0.449 58.694 58.200 0.074 0.000 1.075 813 S CB 0.115 63.318 63.200 0.004 0.000 0.849 813 S HN 1.673 nan 8.310 nan 0.000 0.494 814 G N 0.923 109.780 108.800 0.096 0.000 2.176 814 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.253 814 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.253 814 G C 0.427 175.333 174.900 0.010 0.000 0.979 814 G CA -0.220 44.906 45.100 0.042 0.000 0.641 814 G HN 1.116 nan 8.290 nan 0.000 0.530 815 C N 1.495 120.795 119.300 -0.001 0.000 2.502 815 C HA 0.459 4.919 4.460 -0.001 0.000 0.404 815 C C 2.155 177.108 174.990 -0.063 0.000 1.409 815 C CA 1.203 60.197 59.018 -0.041 0.000 1.648 815 C CB 0.006 27.679 27.740 -0.111 0.000 2.571 815 C HN 1.167 nan 8.230 nan 0.000 0.601 816 G N 3.451 112.243 108.800 -0.014 0.000 2.985 816 G HA2 0.063 4.022 3.960 -0.001 0.000 0.209 816 G HA3 0.063 4.022 3.960 -0.001 0.000 0.209 816 G C 1.223 176.201 174.900 0.130 0.000 1.165 816 G CA 0.218 45.330 45.100 0.019 0.000 0.776 816 G HN 0.915 nan 8.290 nan 0.000 0.541 817 E N 0.535 120.800 120.200 0.108 0.000 2.042 817 E HA -0.091 4.258 4.350 -0.001 0.000 0.189 817 E C 2.852 179.526 176.600 0.124 0.000 0.974 817 E CA 1.387 57.929 56.400 0.237 0.000 0.806 817 E CB -0.253 29.667 29.700 0.366 0.000 0.769 817 E HN 0.448 nan 8.360 nan 0.000 0.451 818 T N 0.044 114.438 114.554 -0.266 0.000 2.759 818 T HA -0.122 4.228 4.350 -0.001 0.000 0.269 818 T C -1.098 173.409 174.700 -0.322 0.000 1.042 818 T CA 0.988 62.783 62.100 -0.507 0.000 1.140 818 T CB -1.594 66.735 68.868 -0.897 0.000 0.864 818 T HN -0.025 nan 8.240 nan 0.000 0.455 819 P HA -0.108 nan 4.420 nan 0.000 0.216 819 P C 0.973 178.091 177.300 -0.303 0.000 1.153 819 P CA 1.259 64.162 63.100 -0.328 0.000 0.858 819 P CB -0.287 31.184 31.700 -0.380 0.000 0.789 820 Y N -0.430 119.781 120.300 -0.148 0.000 2.114 820 Y HA -0.201 4.348 4.550 -0.001 0.000 0.284 820 Y C 2.429 178.278 175.900 -0.085 0.000 1.143 820 Y CA 1.262 59.298 58.100 -0.105 0.000 1.135 820 Y CB -1.469 37.033 38.460 0.070 0.000 0.980 820 Y HN -0.175 nan 8.280 nan 0.000 0.499 821 V N -0.547 119.420 119.914 0.088 0.000 2.427 821 V HA -0.255 3.864 4.120 -0.001 0.000 0.248 821 V C 2.248 178.345 176.094 0.004 0.000 1.051 821 V CA 2.029 64.355 62.300 0.043 0.000 1.048 821 V CB -0.935 31.050 31.823 0.271 0.000 0.666 821 V HN 0.339 nan 8.190 nan 0.000 0.456 822 R N 0.783 121.218 120.500 -0.109 0.000 2.091 822 R HA -0.142 4.197 4.340 -0.001 0.000 0.238 822 R C 2.374 178.563 176.300 -0.186 0.000 1.136 822 R CA 2.216 58.210 56.100 -0.177 0.000 0.959 822 R CB -0.505 29.639 30.300 -0.259 0.000 0.856 822 R HN 0.582 nan 8.270 nan 0.000 0.437 823 V N 0.069 119.853 119.914 -0.216 0.000 2.667 823 V HA -0.079 4.040 4.120 -0.001 0.000 0.252 823 V C 1.963 177.930 176.094 -0.211 0.000 1.065 823 V CA 1.364 63.501 62.300 -0.272 0.000 1.083 823 V CB -0.225 31.308 31.823 -0.483 0.000 0.692 823 V HN 0.344 nan 8.190 nan 0.000 0.468 824 I N 1.988 122.476 120.570 -0.137 0.000 2.226 824 I HA -0.215 3.954 4.170 -0.001 0.000 0.245 824 I C 2.843 178.873 176.117 -0.144 0.000 1.100 824 I CA 2.181 63.369 61.300 -0.187 0.000 1.374 824 I CB -0.672 37.157 38.000 -0.285 0.000 1.057 824 I HN 0.591 nan 8.210 nan 0.000 0.413 825 T N -1.763 112.747 114.554 -0.073 0.000 2.867 825 T HA -0.215 4.134 4.350 -0.001 0.000 0.268 825 T C 1.708 176.347 174.700 -0.101 0.000 1.057 825 T CA 1.063 63.144 62.100 -0.033 0.000 1.136 825 T CB -0.399 68.488 68.868 0.032 0.000 0.874 825 T HN 0.409 nan 8.240 nan 0.000 0.466 826 Q N -0.054 119.649 119.800 -0.161 0.000 2.436 826 Q HA 0.190 4.529 4.340 -0.001 0.000 0.209 826 Q C 1.678 177.537 176.000 -0.234 0.000 0.965 826 Q CA 0.604 56.306 55.803 -0.168 0.000 0.910 826 Q CB -0.098 28.535 28.738 -0.175 0.000 0.980 826 Q HN 0.404 nan 8.270 nan 0.000 0.491 827 L N -2.352 118.633 121.223 -0.396 0.000 2.388 827 L HA 0.122 4.461 4.340 -0.001 0.000 0.209 827 L C 0.726 177.160 176.870 -0.727 0.000 1.061 827 L CA 1.187 55.599 54.840 -0.712 0.000 0.834 827 L CB 0.502 41.830 42.059 -1.218 0.000 1.029 827 L HN 0.126 nan 8.230 nan 0.000 0.473 828 F N -2.644 117.289 119.950 -0.029 0.000 2.856 828 F HA 0.331 4.858 4.527 -0.001 0.000 0.338 828 F C 2.012 177.812 175.800 0.001 0.000 1.100 828 F CA 0.168 58.180 58.000 0.020 0.000 1.150 828 F CB -0.524 38.524 39.000 0.080 0.000 1.101 828 F HN -0.090 nan 8.300 nan 0.000 0.548 829 G N 1.450 110.307 108.800 0.095 0.000 2.505 829 G HA2 -0.322 3.637 3.960 -0.001 0.000 0.220 829 G HA3 -0.322 3.637 3.960 -0.001 0.000 0.220 829 G C 1.665 176.600 174.900 0.058 0.000 1.145 829 G CA 1.555 46.695 45.100 0.067 0.000 0.761 829 G HN 0.445 nan 8.290 nan 0.000 0.571 830 E N 1.346 121.579 120.200 0.056 0.000 2.338 830 E HA -0.152 4.197 4.350 -0.001 0.000 0.197 830 E C 1.800 178.424 176.600 0.040 0.000 1.007 830 E CA 0.780 57.203 56.400 0.038 0.000 0.849 830 E CB -0.254 29.469 29.700 0.039 0.000 0.774 830 E HN 0.640 nan 8.360 nan 0.000 0.506 831 R N 0.837 121.389 120.500 0.087 0.000 2.565 831 R HA 0.362 4.701 4.340 -0.001 0.000 0.347 831 R C 0.974 177.339 176.300 0.108 0.000 1.010 831 R CA -0.204 55.953 56.100 0.095 0.000 1.126 831 R CB -0.108 30.287 30.300 0.159 0.000 1.331 831 R HN 0.164 nan 8.270 nan 0.000 0.552 832 M N -0.230 119.412 119.600 0.071 0.000 2.314 832 M HA 0.463 4.942 4.480 -0.001 0.000 0.342 832 M C -1.294 174.978 176.300 -0.048 0.000 1.171 832 M CA -0.226 55.143 55.300 0.115 0.000 1.098 832 M CB 0.944 33.608 32.600 0.108 0.000 1.559 832 M HN -0.251 nan 8.290 nan 0.000 0.459 833 F N 2.809 122.781 119.950 0.037 0.000 2.450 833 F HA 0.661 5.187 4.527 -0.001 0.000 0.332 833 F C -0.324 175.401 175.800 -0.124 0.000 1.093 833 F CA -0.565 57.400 58.000 -0.058 0.000 1.003 833 F CB 1.732 40.681 39.000 -0.086 0.000 1.151 833 F HN 0.489 nan 8.300 nan 0.000 0.474 834 I N 2.672 123.180 120.570 -0.103 0.000 2.478 834 I HA 0.469 4.639 4.170 -0.001 0.000 0.287 834 I C -0.717 175.123 176.117 -0.462 0.000 1.042 834 I CA -0.871 60.203 61.300 -0.376 0.000 1.067 834 I CB 1.857 39.474 38.000 -0.640 0.000 1.233 834 I HN 0.648 nan 8.210 nan 0.000 0.431 835 A N 5.933 128.532 122.820 -0.368 0.000 2.366 835 A HA 0.399 4.718 4.320 -0.001 0.000 0.322 835 A C -0.438 176.948 177.584 -0.329 0.000 1.397 835 A CA -0.460 51.404 52.037 -0.288 0.000 0.984 835 A CB 0.092 18.993 19.000 -0.166 0.000 1.149 835 A HN 0.713 nan 8.150 nan 0.000 0.540 836 N N 2.142 120.530 118.700 -0.519 0.000 2.419 836 N HA 0.498 5.237 4.740 -0.001 0.000 0.277 836 N C 0.124 175.443 175.510 -0.319 0.000 1.006 836 N CA 0.018 52.809 53.050 -0.430 0.000 0.923 836 N CB 1.737 39.850 38.487 -0.623 0.000 1.140 836 N HN 0.684 nan 8.380 nan 0.000 0.488 837 A N 2.534 125.145 122.820 -0.349 0.000 2.406 837 A HA 0.248 4.567 4.320 -0.001 0.000 0.243 837 A C 0.414 177.999 177.584 0.002 0.000 1.082 837 A CA -0.045 51.825 52.037 -0.278 0.000 0.786 837 A CB -0.066 18.601 19.000 -0.556 0.000 1.029 837 A HN 0.656 nan 8.150 nan 0.000 0.495 838 T N 0.770 115.421 114.554 0.161 0.000 2.940 838 T HA 0.518 4.867 4.350 -0.001 0.000 0.309 838 T C 0.677 175.437 174.700 0.100 0.000 1.056 838 T CA 0.809 62.971 62.100 0.103 0.000 1.137 838 T CB 0.703 69.609 68.868 0.064 0.000 0.976 838 T HN 1.720 nan 8.240 nan 0.000 0.547 839 G N -0.149 108.652 108.800 0.002 0.000 2.327 839 G HA2 0.151 4.111 3.960 -0.001 0.000 0.291 839 G HA3 0.151 4.111 3.960 -0.001 0.000 0.291 839 G C 0.758 175.645 174.900 -0.022 0.000 1.290 839 G CA -0.270 44.838 45.100 0.014 0.000 0.857 839 G HN 0.678 nan 8.290 nan 0.000 0.520 840 C N 0.460 119.774 119.300 0.023 0.000 2.396 840 C HA -0.074 4.386 4.460 -0.001 0.000 0.277 840 C C 3.392 178.158 174.990 -0.374 0.000 1.231 840 C CA 2.683 61.712 59.018 0.019 0.000 1.775 840 C CB -1.277 26.593 27.740 0.217 0.000 2.036 840 C HN 1.028 nan 8.230 nan 0.000 0.484 841 S N 1.045 116.511 115.700 -0.390 0.000 2.423 841 S HA -0.130 4.339 4.470 -0.001 0.000 0.231 841 S C 1.734 175.876 174.600 -0.763 0.000 1.014 841 S CA 1.652 59.245 58.200 -1.013 0.000 0.965 841 S CB -0.602 62.435 63.200 -0.271 0.000 0.785 841 S HN 0.795 nan 8.310 nan 0.000 0.495 842 S N 1.574 117.145 115.700 -0.215 0.000 2.425 842 S HA 0.133 4.602 4.470 -0.001 0.000 0.225 842 S C 1.798 176.382 174.600 -0.026 0.000 1.024 842 S CA 0.325 58.585 58.200 0.099 0.000 0.951 842 S CB -0.512 62.795 63.200 0.179 0.000 0.796 842 S HN 0.382 nan 8.310 nan 0.000 0.498 843 I N 2.376 122.882 120.570 -0.106 0.000 2.233 843 I HA -0.016 4.153 4.170 -0.001 0.000 0.243 843 I C 2.645 178.794 176.117 0.054 0.000 1.093 843 I CA 0.735 62.025 61.300 -0.017 0.000 1.380 843 I CB -1.797 36.211 38.000 0.013 0.000 1.067 843 I HN 0.660 nan 8.210 nan 0.000 0.413 844 W N 1.111 122.465 121.300 0.090 0.000 2.518 844 W HA 0.130 4.790 4.660 -0.001 0.000 0.273 844 W C 1.907 178.436 176.519 0.017 0.000 1.247 844 W CA 0.703 58.082 57.345 0.058 0.000 1.288 844 W CB -1.403 28.088 29.460 0.052 0.000 1.107 844 W HN 0.110 nan 8.180 nan 0.000 0.586 845 G N 1.302 110.071 108.800 -0.051 0.000 2.403 845 G HA2 0.113 4.072 3.960 -0.001 0.000 0.216 845 G HA3 0.113 4.072 3.960 -0.001 0.000 0.216 845 G C 1.019 175.726 174.900 -0.322 0.000 1.154 845 G CA 1.323 46.364 45.100 -0.099 0.000 0.784 845 G HN 0.354 nan 8.290 nan 0.000 0.538 846 A N -0.172 122.476 122.820 -0.287 0.000 3.339 846 A HA 0.602 4.922 4.320 -0.001 0.000 0.219 846 A C 0.024 177.526 177.584 -0.137 0.000 0.974 846 A CA -0.282 51.575 52.037 -0.300 0.000 1.050 846 A CB 0.195 18.834 19.000 -0.600 0.000 1.271 846 A HN 0.048 nan 8.150 nan 0.000 0.565 847 S N 1.754 117.421 115.700 -0.055 0.000 2.448 847 S HA 0.522 4.991 4.470 -0.001 0.000 0.279 847 S C 0.844 175.398 174.600 -0.077 0.000 1.195 847 S CA 0.120 58.301 58.200 -0.033 0.000 1.051 847 S CB 0.856 64.079 63.200 0.037 0.000 0.948 847 S HN 1.118 nan 8.310 nan 0.000 0.493 848 A N 5.341 128.051 122.820 -0.183 0.000 2.531 848 A HA 0.303 4.622 4.320 -0.001 0.000 0.236 848 A C -0.999 176.568 177.584 -0.027 0.000 1.062 848 A CA -0.764 51.111 52.037 -0.270 0.000 0.760 848 A CB -0.101 18.623 19.000 -0.459 0.000 0.995 848 A HN 0.632 nan 8.150 nan 0.000 0.501 849 P HA 0.099 nan 4.420 nan 0.000 0.268 849 P C 0.147 177.599 177.300 0.253 0.000 1.329 849 P CA 0.092 63.324 63.100 0.220 0.000 0.899 849 P CB 0.345 32.221 31.700 0.294 0.000 1.378 850 S N 1.484 117.277 115.700 0.155 0.000 2.400 850 S HA 0.408 4.877 4.470 -0.001 0.000 0.295 850 S C 0.160 174.847 174.600 0.146 0.000 1.113 850 S CA -0.474 57.845 58.200 0.198 0.000 1.064 850 S CB -0.494 62.812 63.200 0.178 0.000 0.990 850 S HN -0.089 nan 8.310 nan 0.000 0.502 851 M N 8.139 127.858 119.600 0.199 0.000 2.055 851 M HA 0.313 4.793 4.480 -0.001 0.000 0.346 851 M C -1.896 174.467 176.300 0.104 0.000 1.074 851 M CA -2.674 52.703 55.300 0.129 0.000 1.009 851 M CB 1.064 33.773 32.600 0.181 0.000 1.423 851 M HN 0.355 nan 8.290 nan 0.000 0.410 852 P HA -0.072 nan 4.420 nan 0.000 0.221 852 P C -0.013 177.183 177.300 -0.174 0.000 1.155 852 P CA 0.969 64.023 63.100 -0.076 0.000 0.812 852 P CB 0.082 31.717 31.700 -0.108 0.000 0.801 853 Y N 2.060 122.312 120.300 -0.079 0.000 2.480 853 Y HA 0.131 4.680 4.550 -0.001 0.000 0.338 853 Y C 1.614 177.482 175.900 -0.053 0.000 1.220 853 Y CA 0.371 58.430 58.100 -0.068 0.000 1.430 853 Y CB 0.370 38.783 38.460 -0.077 0.000 1.311 853 Y HN 0.020 nan 8.280 nan 0.000 0.575 854 K N -0.947 119.508 120.400 0.092 0.000 2.469 854 K HA 0.705 5.024 4.320 -0.001 0.000 0.268 854 K C -1.187 175.432 176.600 0.031 0.000 1.027 854 K CA -1.084 55.224 56.287 0.034 0.000 0.893 854 K CB 1.490 33.963 32.500 -0.045 0.000 1.460 854 K HN 0.528 nan 8.250 nan 0.000 0.449 855 T N -0.943 113.620 114.554 0.015 0.000 2.934 855 T HA 0.270 4.620 4.350 -0.001 0.000 0.283 855 T C 0.299 174.996 174.700 -0.005 0.000 1.005 855 T CA -0.802 61.303 62.100 0.008 0.000 1.041 855 T CB 0.704 69.578 68.868 0.009 0.000 1.042 855 T HN 0.734 nan 8.240 nan 0.000 0.505 856 N N 0.821 119.518 118.700 -0.005 0.000 2.328 856 N HA 0.096 4.836 4.740 -0.001 0.000 0.277 856 N C 1.292 176.798 175.510 -0.007 0.000 1.286 856 N CA -0.817 52.227 53.050 -0.010 0.000 0.949 856 N CB 0.208 38.692 38.487 -0.006 0.000 1.136 856 N HN 0.838 nan 8.380 nan 0.000 0.550 857 R N -1.815 118.681 120.500 -0.007 0.000 2.235 857 R HA 0.053 4.392 4.340 -0.001 0.000 0.213 857 R C 0.597 176.897 176.300 -0.001 0.000 1.059 857 R CA 0.671 56.769 56.100 -0.005 0.000 0.997 857 R CB -0.420 29.876 30.300 -0.007 0.000 0.884 857 R HN 0.319 nan 8.270 nan 0.000 0.462 858 L N 0.532 121.755 121.223 -0.000 0.000 2.592 858 L HA 0.318 4.657 4.340 -0.001 0.000 0.227 858 L C 1.061 177.931 176.870 -0.000 0.000 1.127 858 L CA 1.147 55.988 54.840 0.001 0.000 0.884 858 L CB 0.259 42.321 42.059 0.005 0.000 1.065 858 L HN 0.595 nan 8.230 nan 0.000 0.457 859 G N -0.524 108.275 108.800 -0.001 0.000 2.132 859 G HA2 -0.262 3.697 3.960 -0.001 0.000 0.234 859 G HA3 -0.262 3.697 3.960 -0.001 0.000 0.234 859 G C 0.333 175.228 174.900 -0.008 0.000 0.989 859 G CA -0.043 45.056 45.100 -0.002 0.000 0.676 859 G HN 0.414 nan 8.290 nan 0.000 0.522 860 Q N -0.584 119.212 119.800 -0.006 0.000 2.235 860 Q HA 0.688 5.027 4.340 -0.001 0.000 0.256 860 Q C 0.402 176.398 176.000 -0.007 0.000 0.951 860 Q CA -0.103 55.693 55.803 -0.011 0.000 0.890 860 Q CB 2.233 30.970 28.738 -0.002 0.000 1.279 860 Q HN 1.021 nan 8.270 nan 0.000 0.444 861 G N 1.144 109.934 108.800 -0.017 0.000 2.328 861 G HA2 0.286 4.245 3.960 -0.001 0.000 0.295 861 G HA3 0.286 4.245 3.960 -0.001 0.000 0.295 861 G C -3.128 171.759 174.900 -0.022 0.000 1.413 861 G CA -0.996 44.106 45.100 0.004 0.000 0.817 861 G HN 0.314 nan 8.290 nan 0.000 0.546 862 P HA 0.409 nan 4.420 nan 0.000 0.263 862 P C -0.004 177.239 177.300 -0.095 0.000 1.195 862 P CA 0.262 63.330 63.100 -0.054 0.000 0.762 862 P CB 0.937 32.622 31.700 -0.025 0.000 0.799 863 A N 4.061 126.767 122.820 -0.189 0.000 2.302 863 A HA 0.371 4.690 4.320 -0.001 0.000 0.295 863 A C -0.939 176.616 177.584 -0.049 0.000 1.235 863 A CA -0.397 51.548 52.037 -0.153 0.000 0.876 863 A CB -0.245 18.546 19.000 -0.349 0.000 1.133 863 A HN 0.670 nan 8.150 nan 0.000 0.533 864 W N 2.682 123.864 121.300 -0.197 0.000 2.702 864 W HA 0.607 5.266 4.660 -0.001 0.000 0.331 864 W C 0.077 176.555 176.519 -0.067 0.000 1.049 864 W CA -0.078 57.131 57.345 -0.227 0.000 1.230 864 W CB 1.976 31.179 29.460 -0.429 0.000 1.408 864 W HN 0.914 nan 8.180 nan 0.000 0.492 865 G N 3.383 111.964 108.800 -0.365 0.000 2.667 865 G HA2 0.326 4.285 3.960 -0.001 0.000 0.298 865 G HA3 0.326 4.285 3.960 -0.001 0.000 0.298 865 G C -2.133 172.400 174.900 -0.612 0.000 1.377 865 G CA -1.002 44.008 45.100 -0.149 0.000 0.964 865 G HN 0.465 nan 8.290 nan 0.000 0.493 866 N N 0.363 118.852 118.700 -0.352 0.000 2.443 866 N HA 0.452 5.191 4.740 -0.001 0.000 0.269 866 N C 0.698 176.032 175.510 -0.293 0.000 0.985 866 N CA -0.179 52.673 53.050 -0.331 0.000 0.921 866 N CB 2.297 40.722 38.487 -0.102 0.000 1.195 866 N HN 0.325 nan 8.380 nan 0.000 0.492 867 S N 3.414 118.791 115.700 -0.538 0.000 2.289 867 S HA 0.461 4.930 4.470 -0.001 0.000 0.193 867 S C 0.351 174.776 174.600 -0.292 0.000 1.002 867 S CA 0.365 58.148 58.200 -0.695 0.000 0.951 867 S CB -0.177 62.275 63.200 -1.248 0.000 0.920 867 S HN 0.493 nan 8.310 nan 0.000 0.502 868 L N -1.139 119.965 121.223 -0.199 0.000 2.170 868 L HA 0.502 4.842 4.340 -0.001 0.000 0.247 868 L C 0.500 177.430 176.870 0.100 0.000 1.078 868 L CA -0.710 54.115 54.840 -0.025 0.000 0.936 868 L CB 0.538 42.595 42.059 -0.004 0.000 1.528 868 L HN 0.358 nan 8.230 nan 0.000 0.455 869 F N 1.147 121.112 119.950 0.025 0.000 2.219 869 F HA -0.044 4.482 4.527 -0.001 0.000 0.294 869 F C 2.322 178.264 175.800 0.237 0.000 1.086 869 F CA 1.454 59.523 58.000 0.114 0.000 1.330 869 F CB -0.053 39.046 39.000 0.165 0.000 1.047 869 F HN 0.620 nan 8.300 nan 0.000 0.495 870 E N 0.071 120.337 120.200 0.111 0.000 2.208 870 E HA -0.163 4.186 4.350 -0.001 0.000 0.193 870 E C 0.605 177.301 176.600 0.159 0.000 0.988 870 E CA 1.376 57.800 56.400 0.041 0.000 0.828 870 E CB -0.853 28.847 29.700 -0.000 0.000 0.763 870 E HN 0.573 nan 8.360 nan 0.000 0.478 871 D N 0.402 120.883 120.400 0.135 0.000 2.463 871 D HA 0.260 4.900 4.640 -0.001 0.000 0.224 871 D C 1.317 177.728 176.300 0.185 0.000 1.174 871 D CA 0.338 54.423 54.000 0.141 0.000 0.829 871 D CB 0.516 41.346 40.800 0.050 0.000 0.993 871 D HN 0.139 nan 8.370 nan 0.000 0.497 872 A N 0.900 123.826 122.820 0.177 0.000 1.933 872 A HA 0.067 4.386 4.320 -0.001 0.000 0.218 872 A C 2.350 180.034 177.584 0.167 0.000 1.175 872 A CA 1.780 53.822 52.037 0.008 0.000 0.628 872 A CB -0.607 18.053 19.000 -0.567 0.000 0.814 872 A HN 0.379 nan 8.150 nan 0.000 0.444 873 A N -0.192 122.868 122.820 0.400 0.000 1.929 873 A HA -0.068 4.251 4.320 -0.001 0.000 0.216 873 A C 1.855 179.591 177.584 0.254 0.000 1.176 873 A CA 1.696 53.952 52.037 0.365 0.000 0.628 873 A CB -0.391 18.861 19.000 0.420 0.000 0.816 873 A HN 0.534 nan 8.150 nan 0.000 0.444 874 E N -1.478 118.860 120.200 0.230 0.000 2.152 874 E HA -0.137 4.212 4.350 -0.001 0.000 0.192 874 E C 1.759 178.518 176.600 0.265 0.000 0.983 874 E CA 1.183 57.712 56.400 0.214 0.000 0.818 874 E CB -0.378 29.404 29.700 0.136 0.000 0.758 874 E HN 0.723 nan 8.360 nan 0.000 0.467 875 Y N 1.084 121.429 120.300 0.075 0.000 2.163 875 Y HA -0.072 4.477 4.550 -0.001 0.000 0.288 875 Y C 2.288 178.194 175.900 0.011 0.000 1.136 875 Y CA 1.669 59.782 58.100 0.022 0.000 1.147 875 Y CB -0.792 37.650 38.460 -0.030 0.000 0.987 875 Y HN 0.034 nan 8.280 nan 0.000 0.509 876 G N -0.629 108.181 108.800 0.017 0.000 2.418 876 G HA2 -0.335 3.624 3.960 -0.001 0.000 0.217 876 G HA3 -0.335 3.624 3.960 -0.001 0.000 0.217 876 G C 1.713 176.594 174.900 -0.032 0.000 1.158 876 G CA 0.827 45.877 45.100 -0.084 0.000 0.771 876 G HN 0.474 nan 8.290 nan 0.000 0.545 877 F N 2.472 122.390 119.950 -0.053 0.000 2.161 877 F HA -0.010 4.516 4.527 -0.001 0.000 0.300 877 F C 2.548 178.302 175.800 -0.077 0.000 1.089 877 F CA 1.530 59.500 58.000 -0.050 0.000 1.282 877 F CB -0.411 38.591 39.000 0.004 0.000 1.010 877 F HN 0.118 nan 8.300 nan 0.000 0.485 878 G N 0.008 108.793 108.800 -0.025 0.000 2.402 878 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.216 878 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.216 878 G C 1.670 176.434 174.900 -0.228 0.000 1.162 878 G CA 0.903 45.944 45.100 -0.099 0.000 0.777 878 G HN 0.380 nan 8.290 nan 0.000 0.539 879 M N 0.968 120.385 119.600 -0.306 0.000 2.159 879 M HA -0.090 4.390 4.480 -0.001 0.000 0.263 879 M C 2.453 178.459 176.300 -0.489 0.000 1.063 879 M CA 1.410 56.437 55.300 -0.457 0.000 1.110 879 M CB -0.442 31.808 32.600 -0.584 0.000 1.374 879 M HN 0.384 nan 8.290 nan 0.000 0.411 880 N N 1.089 119.539 118.700 -0.415 0.000 2.120 880 N HA -0.165 4.574 4.740 -0.001 0.000 0.188 880 N C 1.656 176.977 175.510 -0.316 0.000 1.024 880 N CA 1.539 54.368 53.050 -0.368 0.000 0.852 880 N CB -0.121 38.143 38.487 -0.372 0.000 1.003 880 N HN 0.376 nan 8.380 nan 0.000 0.424 881 M N 0.459 119.815 119.600 -0.406 0.000 2.108 881 M HA -0.126 4.353 4.480 -0.001 0.000 0.261 881 M C 2.606 178.845 176.300 -0.103 0.000 1.066 881 M CA 1.509 56.646 55.300 -0.273 0.000 1.107 881 M CB -0.353 32.075 32.600 -0.286 0.000 1.356 881 M HN 0.189 nan 8.290 nan 0.000 0.406 882 S N 0.297 115.912 115.700 -0.141 0.000 2.353 882 S HA -0.158 4.311 4.470 -0.001 0.000 0.222 882 S C 1.988 176.547 174.600 -0.068 0.000 1.035 882 S CA 1.255 59.402 58.200 -0.089 0.000 1.025 882 S CB -0.031 63.099 63.200 -0.118 0.000 0.902 882 S HN 0.310 nan 8.310 nan 0.000 0.440 883 M N 0.257 119.777 119.600 -0.133 0.000 2.149 883 M HA -0.029 4.450 4.480 -0.001 0.000 0.261 883 M C 1.950 178.245 176.300 -0.010 0.000 1.064 883 M CA 1.270 56.523 55.300 -0.078 0.000 1.102 883 M CB -1.586 30.932 32.600 -0.138 0.000 1.369 883 M HN 0.525 nan 8.290 nan 0.000 0.408 884 F N 0.972 120.851 119.950 -0.117 0.000 2.075 884 F HA -0.167 4.359 4.527 -0.001 0.000 0.297 884 F C 2.358 178.139 175.800 -0.032 0.000 1.113 884 F CA 1.971 59.923 58.000 -0.081 0.000 1.218 884 F CB -0.338 38.590 39.000 -0.121 0.000 0.984 884 F HN 0.128 nan 8.300 nan 0.000 0.472 885 A N 0.388 123.247 122.820 0.065 0.000 1.898 885 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 885 A C 2.289 179.859 177.584 -0.023 0.000 1.181 885 A CA 1.626 53.669 52.037 0.009 0.000 0.620 885 A CB -0.648 18.389 19.000 0.062 0.000 0.819 885 A HN 0.460 nan 8.150 nan 0.000 0.442 886 R N -0.909 119.594 120.500 0.005 0.000 2.115 886 R HA 0.039 4.378 4.340 -0.001 0.000 0.226 886 R C 2.280 178.600 176.300 0.033 0.000 1.100 886 R CA 1.107 57.237 56.100 0.050 0.000 0.980 886 R CB -0.176 30.146 30.300 0.037 0.000 0.875 886 R HN 0.431 nan 8.270 nan 0.000 0.445 887 R N -0.493 120.006 120.500 -0.001 0.000 2.193 887 R HA 0.027 4.367 4.340 -0.001 0.000 0.213 887 R C 1.762 178.082 176.300 0.034 0.000 1.055 887 R CA 1.045 57.184 56.100 0.065 0.000 0.995 887 R CB 0.055 30.415 30.300 0.100 0.000 0.893 887 R HN 0.129 nan 8.270 nan 0.000 0.459 888 T N -0.394 114.072 114.554 -0.147 0.000 2.857 888 T HA -0.147 4.202 4.350 -0.001 0.000 0.266 888 T C 1.566 176.270 174.700 0.007 0.000 1.048 888 T CA 1.062 63.052 62.100 -0.183 0.000 1.139 888 T CB -0.193 68.409 68.868 -0.443 0.000 0.874 888 T HN 0.457 nan 8.240 nan 0.000 0.455 889 H N 0.303 119.326 119.070 -0.078 0.000 2.321 889 H HA -0.055 4.500 4.556 -0.001 0.000 0.300 889 H C 2.376 177.690 175.328 -0.023 0.000 1.087 889 H CA 1.103 57.127 56.048 -0.041 0.000 1.319 889 H CB -0.124 29.617 29.762 -0.036 0.000 1.379 889 H HN 0.170 nan 8.280 nan 0.000 0.501 890 L N 1.289 122.503 121.223 -0.015 0.000 2.042 890 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 890 L C 2.589 179.447 176.870 -0.019 0.000 1.076 890 L CA 1.977 56.751 54.840 -0.112 0.000 0.749 890 L CB -1.012 40.962 42.059 -0.141 0.000 0.893 890 L HN 0.370 nan 8.230 nan 0.000 0.432 891 A N -1.043 121.875 122.820 0.164 0.000 1.940 891 A HA -0.230 4.089 4.320 -0.001 0.000 0.219 891 A C 2.043 179.699 177.584 0.121 0.000 1.176 891 A CA 1.913 54.110 52.037 0.267 0.000 0.631 891 A CB -0.804 18.332 19.000 0.228 0.000 0.814 891 A HN 0.542 nan 8.150 nan 0.000 0.446 892 D N -0.547 119.902 120.400 0.082 0.000 2.149 892 D HA -0.069 4.570 4.640 -0.001 0.000 0.201 892 D C 1.747 178.078 176.300 0.053 0.000 0.972 892 D CA 0.749 54.788 54.000 0.066 0.000 0.835 892 D CB -0.132 40.715 40.800 0.079 0.000 0.966 892 D HN 0.237 nan 8.370 nan 0.000 0.476 893 L N 0.748 121.994 121.223 0.038 0.000 2.093 893 L HA 0.007 4.346 4.340 -0.001 0.000 0.208 893 L C 2.357 179.215 176.870 -0.020 0.000 1.085 893 L CA 0.994 55.833 54.840 -0.003 0.000 0.755 893 L CB -1.279 40.740 42.059 -0.066 0.000 0.904 893 L HN -0.072 nan 8.230 nan 0.000 0.435 894 A N -0.669 122.138 122.820 -0.021 0.000 1.898 894 A HA -0.096 4.223 4.320 -0.001 0.000 0.216 894 A C 2.489 180.081 177.584 0.013 0.000 1.181 894 A CA 1.617 53.644 52.037 -0.017 0.000 0.620 894 A CB -0.711 18.306 19.000 0.029 0.000 0.819 894 A HN 0.366 nan 8.150 nan 0.000 0.442 895 A N -0.201 122.637 122.820 0.031 0.000 1.930 895 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 895 A C 2.098 179.687 177.584 0.009 0.000 1.175 895 A CA 1.765 53.815 52.037 0.021 0.000 0.627 895 A CB -0.385 18.630 19.000 0.025 0.000 0.815 895 A HN 0.535 nan 8.150 nan 0.000 0.443 896 K N -0.285 120.120 120.400 0.009 0.000 2.057 896 K HA -0.038 4.281 4.320 -0.001 0.000 0.207 896 K C 2.218 178.816 176.600 -0.003 0.000 1.049 896 K CA 1.116 57.406 56.287 0.005 0.000 0.931 896 K CB -0.299 32.206 32.500 0.008 0.000 0.714 896 K HN 0.429 nan 8.250 nan 0.000 0.440 897 A N 1.115 123.929 122.820 -0.009 0.000 2.015 897 A HA -0.087 4.232 4.320 -0.001 0.000 0.219 897 A C 1.975 179.551 177.584 -0.013 0.000 1.163 897 A CA 1.071 53.099 52.037 -0.015 0.000 0.646 897 A CB -0.499 18.484 19.000 -0.028 0.000 0.806 897 A HN 0.172 nan 8.150 nan 0.000 0.448 898 L N -0.712 120.505 121.223 -0.010 0.000 2.291 898 L HA -0.083 4.257 4.340 -0.001 0.000 0.214 898 L C 0.781 177.647 176.870 -0.007 0.000 1.120 898 L CA 0.817 55.651 54.840 -0.009 0.000 0.799 898 L CB -0.231 41.823 42.059 -0.008 0.000 0.925 898 L HN 0.436 nan 8.230 nan 0.000 0.446 899 E N -0.128 120.068 120.200 -0.006 0.000 2.663 899 E HA 0.144 4.493 4.350 -0.001 0.000 0.240 899 E C -0.045 176.553 176.600 -0.005 0.000 1.227 899 E CA -0.247 56.151 56.400 -0.005 0.000 1.528 899 E CB 0.472 30.170 29.700 -0.003 0.000 1.472 899 E HN 0.293 nan 8.360 nan 0.000 0.433 900 S N -0.385 115.312 115.700 -0.006 0.000 2.840 900 S HA 0.226 4.696 4.470 -0.001 0.000 0.307 900 S C -0.109 174.487 174.600 -0.006 0.000 1.180 900 S CA -0.911 57.286 58.200 -0.006 0.000 0.846 900 S CB 1.015 64.211 63.200 -0.007 0.000 1.233 900 S HN 0.107 nan 8.310 nan 0.000 0.548 901 D N 0.412 120.809 120.400 -0.006 0.000 2.370 901 D HA 0.361 5.001 4.640 -0.001 0.000 0.230 901 D C 0.740 177.037 176.300 -0.006 0.000 1.143 901 D CA -0.163 53.834 54.000 -0.005 0.000 0.834 901 D CB -0.661 40.137 40.800 -0.004 0.000 0.944 901 D HN 0.779 nan 8.370 nan 0.000 0.504 902 A N 0.923 123.739 122.820 -0.007 0.000 2.520 902 A HA 0.345 4.665 4.320 -0.001 0.000 0.235 902 A C 0.989 178.569 177.584 -0.006 0.000 1.065 902 A CA -0.015 52.017 52.037 -0.009 0.000 0.764 902 A CB 0.038 19.030 19.000 -0.013 0.000 1.002 902 A HN 0.434 nan 8.150 nan 0.000 0.502 903 S N 1.826 117.523 115.700 -0.005 0.000 2.569 903 S HA 0.286 4.755 4.470 -0.001 0.000 0.274 903 S C 1.445 176.045 174.600 -0.000 0.000 1.353 903 S CA -0.052 58.147 58.200 -0.002 0.000 1.023 903 S CB 0.663 63.864 63.200 0.000 0.000 0.876 903 S HN 1.524 nan 8.310 nan 0.000 0.540 904 G N 0.910 109.711 108.800 0.002 0.000 2.442 904 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.219 904 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.219 904 G C 0.964 175.870 174.900 0.010 0.000 1.141 904 G CA 0.895 45.998 45.100 0.005 0.000 0.763 904 G HN 0.782 nan 8.290 nan 0.000 0.554 905 D N 0.015 120.422 120.400 0.012 0.000 2.117 905 D HA -0.059 4.580 4.640 -0.001 0.000 0.198 905 D C 2.773 179.085 176.300 0.021 0.000 0.982 905 D CA 0.556 54.569 54.000 0.021 0.000 0.828 905 D CB -0.319 40.492 40.800 0.019 0.000 0.967 905 D HN 0.202 nan 8.370 nan 0.000 0.464 906 V N 1.091 121.009 119.914 0.007 0.000 2.358 906 V HA -0.197 3.922 4.120 -0.001 0.000 0.246 906 V C 2.287 178.376 176.094 -0.009 0.000 1.047 906 V CA 1.471 63.769 62.300 -0.004 0.000 1.035 906 V CB -0.267 31.549 31.823 -0.012 0.000 0.658 906 V HN 0.171 nan 8.190 nan 0.000 0.452 907 K N -0.327 120.068 120.400 -0.007 0.000 2.097 907 K HA -0.191 4.128 4.320 -0.001 0.000 0.205 907 K C 2.177 178.768 176.600 -0.015 0.000 1.050 907 K CA 1.379 57.658 56.287 -0.013 0.000 0.938 907 K CB -0.138 32.355 32.500 -0.012 0.000 0.718 907 K HN 0.498 nan 8.250 nan 0.000 0.442 908 E N 0.604 120.805 120.200 0.001 0.000 2.077 908 E HA -0.197 4.152 4.350 -0.001 0.000 0.193 908 E C 1.974 178.570 176.600 -0.006 0.000 0.989 908 E CA 1.104 57.507 56.400 0.005 0.000 0.800 908 E CB -0.004 29.724 29.700 0.046 0.000 0.746 908 E HN 0.332 nan 8.360 nan 0.000 0.452 909 A N 0.606 123.459 122.820 0.055 0.000 1.898 909 A HA -0.153 4.166 4.320 -0.001 0.000 0.216 909 A C 2.039 179.631 177.584 0.013 0.000 1.181 909 A CA 0.843 52.963 52.037 0.139 0.000 0.620 909 A CB -0.500 18.575 19.000 0.125 0.000 0.819 909 A HN 0.217 nan 8.150 nan 0.000 0.442 910 L N -0.511 120.700 121.223 -0.020 0.000 2.079 910 L HA -0.193 4.146 4.340 -0.001 0.000 0.210 910 L C 2.551 179.420 176.870 -0.002 0.000 1.081 910 L CA 2.244 57.078 54.840 -0.012 0.000 0.752 910 L CB -0.901 41.139 42.059 -0.033 0.000 0.896 910 L HN 0.478 nan 8.230 nan 0.000 0.433 911 Q N -0.747 119.003 119.800 -0.084 0.000 2.119 911 Q HA -0.058 4.281 4.340 -0.001 0.000 0.201 911 Q C 2.133 177.967 176.000 -0.276 0.000 0.972 911 Q CA 1.715 57.441 55.803 -0.128 0.000 0.847 911 Q CB -0.654 28.017 28.738 -0.111 0.000 0.903 911 Q HN 0.443 nan 8.270 nan 0.000 0.433 912 G N -1.061 107.399 108.800 -0.566 0.000 2.403 912 G HA2 -0.236 3.723 3.960 -0.001 0.000 0.216 912 G HA3 -0.236 3.723 3.960 -0.001 0.000 0.216 912 G C 1.219 175.668 174.900 -0.751 0.000 1.154 912 G CA 0.445 44.799 45.100 -1.243 0.000 0.784 912 G HN 0.507 nan 8.290 nan 0.000 0.538 913 W N 0.651 121.655 121.300 -0.493 0.000 2.379 913 W HA 0.021 4.680 4.660 -0.001 0.000 0.307 913 W C 2.102 178.538 176.519 -0.139 0.000 1.200 913 W CA 0.714 57.960 57.345 -0.165 0.000 1.297 913 W CB -0.240 29.133 29.460 -0.145 0.000 1.140 913 W HN 0.098 nan 8.180 nan 0.000 0.507 914 L N 1.107 122.298 121.223 -0.054 0.000 2.083 914 L HA -0.075 4.264 4.340 -0.001 0.000 0.209 914 L C 2.497 179.187 176.870 -0.301 0.000 1.083 914 L CA 2.280 57.017 54.840 -0.171 0.000 0.752 914 L CB -1.764 40.312 42.059 0.028 0.000 0.899 914 L HN 0.160 nan 8.230 nan 0.000 0.433 915 A N -1.432 121.234 122.820 -0.258 0.000 2.014 915 A HA 0.103 4.422 4.320 -0.001 0.000 0.218 915 A C 1.914 179.361 177.584 -0.229 0.000 1.163 915 A CA 1.272 53.181 52.037 -0.213 0.000 0.652 915 A CB -0.650 18.242 19.000 -0.179 0.000 0.808 915 A HN 0.437 nan 8.150 nan 0.000 0.449 916 G N -0.289 108.336 108.800 -0.291 0.000 3.863 916 G HA2 0.283 4.242 3.960 -0.001 0.000 0.290 916 G HA3 0.283 4.242 3.960 -0.001 0.000 0.290 916 G C 0.905 175.582 174.900 -0.372 0.000 1.018 916 G CA 0.418 45.382 45.100 -0.226 0.000 0.824 916 G HN 0.603 nan 8.290 nan 0.000 0.507 917 K N -0.091 119.911 120.400 -0.663 0.000 2.281 917 K HA -0.046 4.274 4.320 -0.001 0.000 0.203 917 K C 1.252 177.613 176.600 -0.399 0.000 1.046 917 K CA 1.471 57.194 56.287 -0.940 0.000 0.938 917 K CB -0.192 31.490 32.500 -1.363 0.000 0.737 917 K HN 0.273 nan 8.250 nan 0.000 0.458 918 N N 0.436 118.983 118.700 -0.255 0.000 2.270 918 N HA -0.003 4.736 4.740 -0.001 0.000 0.198 918 N C -0.964 174.503 175.510 -0.071 0.000 1.117 918 N CA -0.191 52.786 53.050 -0.123 0.000 0.845 918 N CB 0.355 38.783 38.487 -0.099 0.000 0.980 918 N HN 0.221 nan 8.380 nan 0.000 0.486 919 D N 0.092 120.444 120.400 -0.079 0.000 2.303 919 D HA 0.202 4.842 4.640 -0.001 0.000 0.236 919 D C -1.820 174.492 176.300 0.022 0.000 1.068 919 D CA -2.518 51.471 54.000 -0.019 0.000 0.830 919 D CB 1.648 42.436 40.800 -0.021 0.000 1.109 919 D HN -0.171 nan 8.370 nan 0.000 0.496 920 P HA -0.117 nan 4.420 nan 0.000 0.216 920 P C 1.090 178.445 177.300 0.091 0.000 1.150 920 P CA 1.097 64.254 63.100 0.094 0.000 0.843 920 P CB 0.266 32.039 31.700 0.123 0.000 0.787 921 I N -1.406 119.207 120.570 0.073 0.000 2.296 921 I HA -0.110 4.059 4.170 -0.001 0.000 0.242 921 I C 2.197 178.351 176.117 0.061 0.000 1.087 921 I CA 1.212 62.550 61.300 0.063 0.000 1.393 921 I CB -0.441 37.590 38.000 0.051 0.000 1.093 921 I HN -0.255 nan 8.210 nan 0.000 0.421 922 K N 0.774 121.215 120.400 0.069 0.000 2.097 922 K HA -0.045 4.274 4.320 -0.001 0.000 0.205 922 K C 2.299 179.000 176.600 0.169 0.000 1.050 922 K CA 1.707 58.068 56.287 0.122 0.000 0.938 922 K CB -0.656 31.921 32.500 0.128 0.000 0.718 922 K HN 0.428 nan 8.250 nan 0.000 0.442 923 S N 0.864 116.619 115.700 0.092 0.000 2.428 923 S HA -0.085 4.385 4.470 -0.001 0.000 0.230 923 S C 2.024 176.802 174.600 0.297 0.000 1.014 923 S CA 0.976 59.264 58.200 0.148 0.000 0.957 923 S CB 0.014 63.247 63.200 0.055 0.000 0.784 923 S HN 0.272 nan 8.310 nan 0.000 0.499 924 K N 1.335 121.852 120.400 0.194 0.000 2.167 924 K HA -0.009 4.310 4.320 -0.001 0.000 0.203 924 K C 2.289 178.957 176.600 0.113 0.000 1.052 924 K CA 1.034 57.425 56.287 0.174 0.000 0.956 924 K CB -0.195 32.379 32.500 0.124 0.000 0.735 924 K HN 0.595 nan 8.250 nan 0.000 0.451 925 E N -0.269 119.956 120.200 0.042 0.000 2.031 925 E HA -0.222 4.127 4.350 -0.001 0.000 0.193 925 E C 1.615 178.110 176.600 -0.176 0.000 0.994 925 E CA 1.489 57.818 56.400 -0.119 0.000 0.800 925 E CB -0.178 29.372 29.700 -0.249 0.000 0.752 925 E HN 0.418 nan 8.360 nan 0.000 0.447 926 Y N -0.211 120.148 120.300 0.097 0.000 2.314 926 Y HA 0.018 4.567 4.550 -0.001 0.000 0.293 926 Y C 2.412 178.346 175.900 0.056 0.000 1.129 926 Y CA 0.894 59.049 58.100 0.092 0.000 1.201 926 Y CB -0.326 38.214 38.460 0.134 0.000 0.999 926 Y HN 0.203 nan 8.280 nan 0.000 0.541 927 G N -0.183 108.765 108.800 0.247 0.000 2.408 927 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.217 927 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.217 927 G C 1.129 176.117 174.900 0.147 0.000 1.150 927 G CA 1.241 46.385 45.100 0.073 0.000 0.776 927 G HN 0.259 nan 8.290 nan 0.000 0.542 928 D N 0.705 121.184 120.400 0.132 0.000 2.144 928 D HA -0.048 4.591 4.640 -0.001 0.000 0.199 928 D C 2.472 178.803 176.300 0.053 0.000 0.984 928 D CA 0.810 54.864 54.000 0.091 0.000 0.834 928 D CB -0.086 40.745 40.800 0.052 0.000 0.955 928 D HN 0.323 nan 8.370 nan 0.000 0.465 929 K N -0.131 120.285 120.400 0.027 0.000 2.057 929 K HA -0.070 4.249 4.320 -0.001 0.000 0.206 929 K C 1.847 178.461 176.600 0.023 0.000 1.050 929 K CA 0.375 56.675 56.287 0.022 0.000 0.935 929 K CB -0.024 32.496 32.500 0.034 0.000 0.715 929 K HN 0.037 nan 8.250 nan 0.000 0.439 930 L N 1.942 123.157 121.223 -0.013 0.000 2.141 930 L HA -0.134 4.206 4.340 -0.001 0.000 0.209 930 L C 1.829 178.738 176.870 0.065 0.000 1.094 930 L CA 1.691 56.496 54.840 -0.059 0.000 0.763 930 L CB -0.486 41.355 42.059 -0.362 0.000 0.908 930 L HN 0.082 nan 8.230 nan 0.000 0.437 931 K N -0.765 119.724 120.400 0.148 0.000 2.097 931 K HA -0.175 4.144 4.320 -0.001 0.000 0.206 931 K C 2.033 178.677 176.600 0.072 0.000 1.049 931 K CA 1.163 57.543 56.287 0.155 0.000 0.933 931 K CB -0.025 32.562 32.500 0.146 0.000 0.717 931 K HN 0.323 nan 8.250 nan 0.000 0.442 932 K N 0.774 121.205 120.400 0.052 0.000 2.005 932 K HA -0.019 4.300 4.320 -0.001 0.000 0.206 932 K C 2.182 178.796 176.600 0.024 0.000 1.044 932 K CA 0.927 57.233 56.287 0.031 0.000 0.942 932 K CB -0.137 32.377 32.500 0.023 0.000 0.727 932 K HN 0.037 nan 8.250 nan 0.000 0.439 933 L N 0.987 122.223 121.223 0.021 0.000 2.083 933 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 933 L C 1.822 178.699 176.870 0.011 0.000 1.083 933 L CA 1.064 55.912 54.840 0.013 0.000 0.752 933 L CB -0.219 41.846 42.059 0.009 0.000 0.899 933 L HN 0.156 nan 8.230 nan 0.000 0.433 934 L N -0.340 120.895 121.223 0.019 0.000 2.685 934 L HA 0.295 4.634 4.340 -0.001 0.000 0.233 934 L C 0.919 177.799 176.870 0.018 0.000 1.173 934 L CA -0.685 54.165 54.840 0.017 0.000 0.961 934 L CB -0.281 41.792 42.059 0.023 0.000 1.217 934 L HN 0.031 nan 8.230 nan 0.000 0.478 935 A N 0.316 123.146 122.820 0.017 0.000 2.520 935 A HA 0.429 4.748 4.320 -0.001 0.000 0.245 935 A C 1.476 179.062 177.584 0.003 0.000 1.072 935 A CA 0.788 52.831 52.037 0.010 0.000 0.761 935 A CB -0.065 18.941 19.000 0.010 0.000 1.004 935 A HN 0.618 nan 8.150 nan 0.000 0.499 936 G N 0.863 109.662 108.800 -0.002 0.000 2.225 936 G HA2 -0.271 3.688 3.960 -0.001 0.000 0.254 936 G HA3 -0.271 3.688 3.960 -0.001 0.000 0.254 936 G C 0.477 175.373 174.900 -0.006 0.000 0.988 936 G CA 0.670 45.767 45.100 -0.005 0.000 0.625 936 G HN 1.174 nan 8.290 nan 0.000 0.527 937 Q N 0.705 120.502 119.800 -0.005 0.000 2.262 937 Q HA 0.597 4.936 4.340 -0.001 0.000 0.272 937 Q C 1.069 177.062 176.000 -0.012 0.000 1.076 937 Q CA 0.879 56.678 55.803 -0.007 0.000 0.905 937 Q CB 0.641 29.376 28.738 -0.006 0.000 1.182 937 Q HN 0.446 nan 8.270 nan 0.000 0.390 938 K N 2.084 122.477 120.400 -0.012 0.000 2.440 938 K HA 0.218 4.537 4.320 -0.001 0.000 0.207 938 K C -0.688 175.905 176.600 -0.013 0.000 1.112 938 K CA -0.030 56.249 56.287 -0.013 0.000 1.036 938 K CB 0.899 33.392 32.500 -0.012 0.000 0.935 938 K HN 0.607 nan 8.250 nan 0.000 0.564 939 D N 0.038 120.432 120.400 -0.011 0.000 2.269 939 D HA 0.320 4.959 4.640 -0.001 0.000 0.244 939 D C 0.588 176.881 176.300 -0.011 0.000 0.992 939 D CA 0.348 54.342 54.000 -0.010 0.000 0.894 939 D CB 1.791 42.586 40.800 -0.007 0.000 1.248 939 D HN 0.202 nan 8.370 nan 0.000 0.468 940 G N 0.676 109.470 108.800 -0.009 0.000 2.578 940 G HA2 -0.312 3.647 3.960 -0.001 0.000 0.275 940 G HA3 -0.312 3.647 3.960 -0.001 0.000 0.275 940 G C 1.060 175.952 174.900 -0.014 0.000 1.271 940 G CA 0.072 45.166 45.100 -0.009 0.000 0.941 940 G HN 0.520 nan 8.290 nan 0.000 0.564 941 L N -1.275 119.940 121.223 -0.014 0.000 2.012 941 L HA -0.111 4.229 4.340 -0.001 0.000 0.210 941 L C 3.065 179.917 176.870 -0.031 0.000 1.073 941 L CA 1.939 56.767 54.840 -0.020 0.000 0.748 941 L CB -0.472 41.577 42.059 -0.017 0.000 0.891 941 L HN 0.501 nan 8.230 nan 0.000 0.431 942 L N -0.433 120.775 121.223 -0.025 0.000 2.201 942 L HA -0.090 4.250 4.340 -0.001 0.000 0.212 942 L C 2.482 179.337 176.870 -0.024 0.000 1.105 942 L CA 1.757 56.582 54.840 -0.026 0.000 0.775 942 L CB -1.248 40.800 42.059 -0.020 0.000 0.913 942 L HN 0.192 nan 8.230 nan 0.000 0.440 943 G N -1.998 106.788 108.800 -0.024 0.000 2.421 943 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.217 943 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.217 943 G C 1.530 176.408 174.900 -0.038 0.000 1.143 943 G CA 0.205 45.291 45.100 -0.025 0.000 0.784 943 G HN 0.388 nan 8.290 nan 0.000 0.541 944 Q N -0.338 119.434 119.800 -0.046 0.000 2.049 944 Q HA 0.069 4.408 4.340 -0.001 0.000 0.198 944 Q C 2.603 178.545 176.000 -0.097 0.000 0.971 944 Q CA 0.759 56.519 55.803 -0.072 0.000 0.833 944 Q CB -0.139 28.553 28.738 -0.077 0.000 0.896 944 Q HN 0.481 nan 8.270 nan 0.000 0.434 945 I N 0.734 121.256 120.570 -0.080 0.000 2.208 945 I HA -0.308 3.862 4.170 -0.001 0.000 0.245 945 I C 2.361 178.480 176.117 0.004 0.000 1.097 945 I CA 1.121 62.384 61.300 -0.060 0.000 1.363 945 I CB -0.330 37.629 38.000 -0.068 0.000 1.051 945 I HN 0.171 nan 8.210 nan 0.000 0.413 946 A N 0.427 123.247 122.820 -0.000 0.000 1.972 946 A HA -0.086 4.233 4.320 -0.001 0.000 0.219 946 A C 2.369 179.903 177.584 -0.084 0.000 1.169 946 A CA 1.645 53.686 52.037 0.006 0.000 0.635 946 A CB -0.660 18.340 19.000 -0.001 0.000 0.810 946 A HN 0.443 nan 8.150 nan 0.000 0.446 947 A N -1.269 121.494 122.820 -0.095 0.000 2.235 947 A HA 0.290 4.609 4.320 -0.001 0.000 0.208 947 A C 1.655 179.137 177.584 -0.170 0.000 1.172 947 A CA 0.714 52.682 52.037 -0.115 0.000 0.786 947 A CB -0.444 18.507 19.000 -0.081 0.000 0.804 947 A HN 0.492 nan 8.150 nan 0.000 0.479 948 M N 0.130 119.595 119.600 -0.225 0.000 2.549 948 M HA 0.022 4.501 4.480 -0.001 0.000 0.273 948 M C 1.691 177.635 176.300 -0.592 0.000 1.213 948 M CA 0.447 55.575 55.300 -0.287 0.000 0.976 948 M CB 0.213 32.686 32.600 -0.212 0.000 1.457 948 M HN 0.516 nan 8.290 nan 0.000 0.485 949 S N 0.279 115.500 115.700 -0.798 0.000 2.419 949 S HA -0.164 4.305 4.470 -0.001 0.000 0.233 949 S C 1.314 175.450 174.600 -0.772 0.000 1.016 949 S CA 1.519 58.861 58.200 -1.430 0.000 0.974 949 S CB -0.485 62.226 63.200 -0.814 0.000 0.786 949 S HN 0.605 nan 8.310 nan 0.000 0.492 950 D N 1.472 121.638 120.400 -0.390 0.000 2.378 950 D HA -0.016 4.623 4.640 -0.001 0.000 0.227 950 D C 1.387 177.625 176.300 -0.103 0.000 1.012 950 D CA 0.333 54.221 54.000 -0.186 0.000 0.905 950 D CB -0.472 40.261 40.800 -0.112 0.000 0.895 950 D HN 0.517 nan 8.370 nan 0.000 0.532 951 L N -1.267 119.870 121.223 -0.142 0.000 2.664 951 L HA 0.183 4.522 4.340 -0.001 0.000 0.233 951 L C 1.789 178.781 176.870 0.203 0.000 1.113 951 L CA -0.272 54.590 54.840 0.036 0.000 0.896 951 L CB -0.223 41.847 42.059 0.017 0.000 1.163 951 L HN -0.045 nan 8.230 nan 0.000 0.497 952 Y N 0.538 120.868 120.300 0.050 0.000 2.128 952 Y HA -0.192 4.357 4.550 -0.001 0.000 0.284 952 Y C 1.967 178.120 175.900 0.422 0.000 1.154 952 Y CA 0.904 59.096 58.100 0.152 0.000 1.149 952 Y CB -0.129 38.327 38.460 -0.006 0.000 0.976 952 Y HN 0.129 nan 8.280 nan 0.000 0.505 953 T N 1.264 116.063 114.554 0.408 0.000 2.832 953 T HA 0.087 4.436 4.350 -0.001 0.000 0.296 953 T C -0.291 174.565 174.700 0.260 0.000 0.968 953 T CA -0.853 61.434 62.100 0.312 0.000 1.107 953 T CB 0.876 69.877 68.868 0.222 0.000 0.916 953 T HN 0.091 nan 8.240 nan 0.000 0.517 954 K N 3.957 124.485 120.400 0.213 0.000 2.491 954 K HA 0.024 4.343 4.320 -0.001 0.000 0.279 954 K C 0.257 176.957 176.600 0.167 0.000 1.026 954 K CA -0.006 56.375 56.287 0.157 0.000 1.070 954 K CB 0.312 32.865 32.500 0.088 0.000 0.887 954 K HN 0.528 nan 8.250 nan 0.000 0.481 955 K N 1.712 122.222 120.400 0.184 0.000 2.090 955 K HA 0.147 4.466 4.320 -0.001 0.000 0.249 955 K C -0.296 176.418 176.600 0.191 0.000 0.995 955 K CA -0.458 55.972 56.287 0.239 0.000 0.914 955 K CB 1.720 34.471 32.500 0.419 0.000 1.057 955 K HN 0.444 nan 8.250 nan 0.000 0.462 956 S N 1.004 116.855 115.700 0.252 0.000 2.718 956 S HA 0.268 4.738 4.470 -0.001 0.000 0.294 956 S C -0.928 173.850 174.600 0.296 0.000 1.157 956 S CA -0.697 57.623 58.200 0.200 0.000 1.121 956 S CB 0.294 63.654 63.200 0.266 0.000 1.015 956 S HN 0.250 nan 8.310 nan 0.000 0.479 957 V N 5.898 125.859 119.914 0.078 0.000 2.432 957 V HA 0.411 4.530 4.120 -0.001 0.000 0.271 957 V C -0.558 175.517 176.094 -0.031 0.000 1.046 957 V CA -0.248 62.093 62.300 0.068 0.000 0.945 957 V CB 0.138 31.894 31.823 -0.111 0.000 0.992 957 V HN 0.815 nan 8.190 nan 0.000 0.471 958 W N 4.805 126.081 121.300 -0.040 0.000 2.689 958 W HA 0.735 5.395 4.660 -0.001 0.000 0.340 958 W C -0.400 176.070 176.519 -0.081 0.000 1.060 958 W CA -0.609 56.723 57.345 -0.021 0.000 1.218 958 W CB 1.510 30.937 29.460 -0.055 0.000 1.410 958 W HN 0.320 nan 8.180 nan 0.000 0.528 959 I N 3.320 124.077 120.570 0.311 0.000 2.410 959 I HA 0.333 4.502 4.170 -0.001 0.000 0.286 959 I C -0.723 175.661 176.117 0.444 0.000 1.009 959 I CA -0.506 60.907 61.300 0.187 0.000 1.111 959 I CB 0.662 38.770 38.000 0.179 0.000 1.262 959 I HN 0.207 nan 8.210 nan 0.000 0.443 960 F N 3.839 123.821 119.950 0.052 0.000 2.450 960 F HA 0.822 5.348 4.527 -0.001 0.000 0.332 960 F C 0.803 176.511 175.800 -0.155 0.000 1.093 960 F CA -0.763 57.318 58.000 0.135 0.000 1.003 960 F CB 2.322 41.444 39.000 0.204 0.000 1.151 960 F HN 0.510 nan 8.300 nan 0.000 0.474 961 G N 0.906 109.795 108.800 0.148 0.000 2.451 961 G HA2 0.458 4.417 3.960 -0.001 0.000 0.292 961 G HA3 0.458 4.417 3.960 -0.001 0.000 0.292 961 G C -1.423 173.687 174.900 0.349 0.000 1.427 961 G CA -0.458 44.682 45.100 0.067 0.000 0.792 961 G HN 0.898 nan 8.290 nan 0.000 0.498 962 G N -1.285 107.761 108.800 0.409 0.000 2.557 962 G HA2 0.503 4.463 3.960 -0.001 0.000 0.302 962 G HA3 0.503 4.463 3.960 -0.001 0.000 0.302 962 G C 0.792 175.917 174.900 0.376 0.000 1.311 962 G CA 0.598 45.890 45.100 0.320 0.000 1.030 962 G HN 0.695 nan 8.290 nan 0.000 0.509 963 D N -0.796 119.719 120.400 0.191 0.000 2.178 963 D HA -0.081 4.558 4.640 -0.001 0.000 0.202 963 D C 2.156 178.488 176.300 0.052 0.000 0.974 963 D CA 1.208 55.299 54.000 0.151 0.000 0.841 963 D CB -0.667 40.013 40.800 -0.200 0.000 0.953 963 D HN 0.467 nan 8.370 nan 0.000 0.478 964 G N 0.443 109.167 108.800 -0.128 0.000 2.421 964 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.216 964 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.216 964 G C 1.377 176.354 174.900 0.129 0.000 1.171 964 G CA 0.803 45.651 45.100 -0.420 0.000 0.775 964 G HN 0.393 nan 8.290 nan 0.000 0.543 965 W N 1.870 123.270 121.300 0.167 0.000 2.329 965 W HA 0.011 4.670 4.660 -0.001 0.000 0.324 965 W C 2.702 179.246 176.519 0.041 0.000 1.222 965 W CA 2.621 59.949 57.345 -0.029 0.000 1.270 965 W CB -0.594 28.929 29.460 0.105 0.000 1.167 965 W HN 0.233 nan 8.180 nan 0.000 0.467 966 A N -1.298 121.350 122.820 -0.288 0.000 1.969 966 A HA -0.141 4.178 4.320 -0.001 0.000 0.218 966 A C 1.765 179.143 177.584 -0.342 0.000 1.169 966 A CA 1.625 53.241 52.037 -0.703 0.000 0.635 966 A CB -1.184 17.650 19.000 -0.278 0.000 0.810 966 A HN 0.535 nan 8.150 nan 0.000 0.445 967 Y N -0.378 119.761 120.300 -0.268 0.000 2.503 967 Y HA 0.080 4.630 4.550 -0.001 0.000 0.278 967 Y C 1.573 177.331 175.900 -0.237 0.000 1.111 967 Y CA 0.583 58.506 58.100 -0.295 0.000 1.270 967 Y CB 0.139 38.469 38.460 -0.216 0.000 1.063 967 Y HN 0.292 nan 8.280 nan 0.000 0.548 968 D N -0.913 119.504 120.400 0.027 0.000 3.066 968 D HA 0.035 4.674 4.640 -0.001 0.000 0.225 968 D C 2.005 178.313 176.300 0.014 0.000 1.397 968 D CA -0.045 54.004 54.000 0.081 0.000 1.344 968 D CB -0.763 40.195 40.800 0.262 0.000 0.934 968 D HN 0.045 nan 8.370 nan 0.000 0.202 969 I N 0.948 121.511 120.570 -0.012 0.000 2.208 969 I HA -0.140 4.030 4.170 -0.001 0.000 0.245 969 I C 1.590 177.586 176.117 -0.202 0.000 1.097 969 I CA 1.799 63.007 61.300 -0.153 0.000 1.363 969 I CB 0.005 37.844 38.000 -0.268 0.000 1.051 969 I HN 0.157 nan 8.210 nan 0.000 0.413 970 G N -1.530 107.063 108.800 -0.345 0.000 3.189 970 G HA2 -0.176 3.784 3.960 -0.001 0.000 0.225 970 G HA3 -0.176 3.784 3.960 -0.001 0.000 0.225 970 G C 1.085 175.729 174.900 -0.428 0.000 1.159 970 G CA -0.148 44.720 45.100 -0.388 0.000 0.763 970 G HN 0.448 nan 8.290 nan 0.000 0.549 971 Y N 1.886 121.930 120.300 -0.427 0.000 2.181 971 Y HA -0.050 4.499 4.550 -0.001 0.000 0.288 971 Y C 2.478 178.243 175.900 -0.226 0.000 1.146 971 Y CA 1.575 59.461 58.100 -0.357 0.000 1.164 971 Y CB -0.473 37.834 38.460 -0.256 0.000 0.982 971 Y HN 0.106 nan 8.280 nan 0.000 0.515 972 G N -0.503 108.103 108.800 -0.324 0.000 2.446 972 G HA2 -0.264 3.695 3.960 -0.001 0.000 0.217 972 G HA3 -0.264 3.695 3.960 -0.001 0.000 0.217 972 G C 1.899 176.646 174.900 -0.254 0.000 1.168 972 G CA 0.873 45.775 45.100 -0.330 0.000 0.771 972 G HN 0.620 nan 8.290 nan 0.000 0.551 973 G N 0.571 109.267 108.800 -0.173 0.000 2.394 973 G HA2 -0.057 3.902 3.960 -0.001 0.000 0.215 973 G HA3 -0.057 3.902 3.960 -0.001 0.000 0.215 973 G C 1.726 176.577 174.900 -0.082 0.000 1.165 973 G CA 0.951 45.998 45.100 -0.088 0.000 0.784 973 G HN 0.386 nan 8.290 nan 0.000 0.535 974 L N 1.492 122.630 121.223 -0.142 0.000 1.990 974 L HA -0.114 4.225 4.340 -0.001 0.000 0.213 974 L C 2.231 178.996 176.870 -0.175 0.000 1.072 974 L CA 2.862 57.624 54.840 -0.131 0.000 0.755 974 L CB -0.958 40.919 42.059 -0.303 0.000 0.889 974 L HN 0.342 nan 8.230 nan 0.000 0.432 975 D N -2.025 118.185 120.400 -0.317 0.000 2.117 975 D HA -0.282 4.357 4.640 -0.001 0.000 0.197 975 D C 2.259 178.433 176.300 -0.211 0.000 0.987 975 D CA 1.472 55.301 54.000 -0.285 0.000 0.829 975 D CB -0.258 40.237 40.800 -0.508 0.000 0.961 975 D HN 0.591 nan 8.370 nan 0.000 0.460 976 H N -0.380 118.529 119.070 -0.268 0.000 2.353 976 H HA -0.076 4.479 4.556 -0.001 0.000 0.300 976 H C 2.023 177.151 175.328 -0.334 0.000 1.090 976 H CA 1.425 57.316 56.048 -0.261 0.000 1.327 976 H CB 0.100 29.713 29.762 -0.248 0.000 1.383 976 H HN 0.118 nan 8.280 nan 0.000 0.508 977 V N 1.180 120.940 119.914 -0.256 0.000 2.358 977 V HA -0.235 3.884 4.120 -0.001 0.000 0.246 977 V C 2.854 178.799 176.094 -0.248 0.000 1.047 977 V CA 1.257 63.340 62.300 -0.362 0.000 1.035 977 V CB -0.446 31.290 31.823 -0.146 0.000 0.658 977 V HN 0.314 nan 8.190 nan 0.000 0.452 978 L N 0.285 121.384 121.223 -0.207 0.000 2.093 978 L HA -0.101 4.238 4.340 -0.001 0.000 0.208 978 L C 2.624 179.278 176.870 -0.361 0.000 1.085 978 L CA 1.491 56.209 54.840 -0.204 0.000 0.755 978 L CB -0.800 41.144 42.059 -0.191 0.000 0.904 978 L HN 0.339 nan 8.230 nan 0.000 0.435 979 A N 0.071 122.532 122.820 -0.599 0.000 2.172 979 A HA -0.160 4.159 4.320 -0.001 0.000 0.216 979 A C 2.477 179.925 177.584 -0.226 0.000 1.154 979 A CA 1.470 53.115 52.037 -0.653 0.000 0.701 979 A CB -0.552 18.049 19.000 -0.664 0.000 0.789 979 A HN 0.531 nan 8.150 nan 0.000 0.465 980 S N -1.397 114.132 115.700 -0.286 0.000 2.447 980 S HA 0.222 4.691 4.470 -0.001 0.000 0.233 980 S C 1.694 176.270 174.600 -0.039 0.000 1.006 980 S CA 1.354 59.434 58.200 -0.199 0.000 0.957 980 S CB -0.660 62.402 63.200 -0.229 0.000 0.773 980 S HN 1.907 nan 8.310 nan 0.000 0.507 981 G N 0.833 109.674 108.800 0.068 0.000 2.184 981 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.264 981 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.264 981 G C -0.136 174.799 174.900 0.059 0.000 0.975 981 G CA 0.416 45.565 45.100 0.082 0.000 0.642 981 G HN 0.662 nan 8.290 nan 0.000 0.536 982 E N 0.287 120.543 120.200 0.093 0.000 2.345 982 E HA 0.355 4.705 4.350 -0.001 0.000 0.259 982 E C -0.594 176.029 176.600 0.037 0.000 1.117 982 E CA -0.618 55.813 56.400 0.051 0.000 0.913 982 E CB 0.688 30.439 29.700 0.085 0.000 1.057 982 E HN 0.097 nan 8.360 nan 0.000 0.432 983 D N 1.901 122.285 120.400 -0.026 0.000 2.470 983 D HA 0.140 4.779 4.640 -0.001 0.000 0.226 983 D C -1.054 175.200 176.300 -0.076 0.000 1.196 983 D CA -0.204 53.765 54.000 -0.052 0.000 0.979 983 D CB -0.234 40.521 40.800 -0.076 0.000 1.059 983 D HN 0.267 nan 8.370 nan 0.000 0.515 984 V N 0.806 120.687 119.914 -0.056 0.000 3.040 984 V HA 0.672 4.792 4.120 -0.001 0.000 0.312 984 V C -0.619 175.360 176.094 -0.192 0.000 1.115 984 V CA -1.098 61.134 62.300 -0.113 0.000 0.998 984 V CB 2.360 34.184 31.823 0.002 0.000 1.042 984 V HN 0.259 nan 8.190 nan 0.000 0.433 985 N N 1.452 119.914 118.700 -0.397 0.000 2.354 985 N HA 0.560 5.300 4.740 -0.001 0.000 0.287 985 N C -1.132 174.283 175.510 -0.159 0.000 1.016 985 N CA -0.253 52.449 53.050 -0.581 0.000 0.871 985 N CB 2.408 39.827 38.487 -1.780 0.000 1.299 985 N HN 0.891 nan 8.380 nan 0.000 0.482 986 V N 2.888 122.864 119.914 0.104 0.000 2.417 986 V HA 0.613 4.733 4.120 -0.001 0.000 0.291 986 V C -1.377 175.045 176.094 0.547 0.000 1.024 986 V CA -0.621 61.899 62.300 0.367 0.000 0.861 986 V CB 0.861 32.911 31.823 0.379 0.000 0.985 986 V HN 0.513 nan 8.190 nan 0.000 0.436 987 F N 6.591 126.866 119.950 0.542 0.000 2.460 987 F HA 0.730 5.256 4.527 -0.001 0.000 0.341 987 F C -0.627 175.382 175.800 0.348 0.000 1.130 987 F CA -0.642 57.632 58.000 0.457 0.000 0.962 987 F CB 1.854 41.153 39.000 0.499 0.000 1.171 987 F HN 0.422 nan 8.300 nan 0.000 0.436 988 V N 7.732 127.541 119.914 -0.174 0.000 2.370 988 V HA 0.304 4.423 4.120 -0.001 0.000 0.283 988 V C 0.066 175.927 176.094 -0.390 0.000 1.023 988 V CA -0.584 61.690 62.300 -0.044 0.000 0.857 988 V CB 1.469 33.385 31.823 0.154 0.000 0.985 988 V HN 0.746 nan 8.190 nan 0.000 0.443 989 M N 4.410 123.880 119.600 -0.217 0.000 2.201 989 M HA 0.264 4.743 4.480 -0.001 0.000 0.345 989 M C -0.190 176.072 176.300 -0.063 0.000 1.352 989 M CA -0.132 55.042 55.300 -0.211 0.000 1.218 989 M CB 0.273 32.867 32.600 -0.010 0.000 1.512 989 M HN 0.509 nan 8.290 nan 0.000 0.447 990 D N 2.338 122.685 120.400 -0.089 0.000 2.365 990 D HA 0.084 4.723 4.640 -0.001 0.000 0.237 990 D C 0.867 177.056 176.300 -0.184 0.000 1.190 990 D CA 0.075 54.059 54.000 -0.026 0.000 0.867 990 D CB 0.989 41.907 40.800 0.196 0.000 1.050 990 D HN 0.644 nan 8.370 nan 0.000 0.491 991 T N 0.106 114.582 114.554 -0.130 0.000 3.105 991 T HA 0.091 4.440 4.350 -0.001 0.000 0.253 991 T C 0.579 175.201 174.700 -0.130 0.000 1.047 991 T CA -0.290 61.715 62.100 -0.159 0.000 0.944 991 T CB -0.273 68.554 68.868 -0.067 0.000 1.016 991 T HN 0.568 nan 8.240 nan 0.000 0.544 992 E N -0.671 119.458 120.200 -0.118 0.000 2.805 992 E HA -0.155 4.194 4.350 -0.001 0.000 0.266 992 E C -0.378 176.174 176.600 -0.080 0.000 1.092 992 E CA 0.369 56.720 56.400 -0.082 0.000 0.781 992 E CB -1.880 27.856 29.700 0.060 0.000 1.379 992 E HN 0.507 nan 8.360 nan 0.000 0.433 993 V N -0.464 119.392 119.914 -0.097 0.000 3.236 993 V HA 0.216 4.335 4.120 -0.001 0.000 0.287 993 V C -1.568 174.499 176.094 -0.045 0.000 1.491 993 V CA -0.915 61.358 62.300 -0.045 0.000 1.037 993 V CB 1.508 33.324 31.823 -0.011 0.000 1.160 993 V HN 0.169 nan 8.190 nan 0.000 0.453 994 Y N 2.733 123.049 120.300 0.027 0.000 2.624 994 Y HA 0.215 4.764 4.550 -0.001 0.000 0.354 994 Y C 1.542 177.445 175.900 0.007 0.000 1.051 994 Y CA 0.611 58.737 58.100 0.043 0.000 1.377 994 Y CB 1.183 39.654 38.460 0.017 0.000 1.168 994 Y HN 0.651 nan 8.280 nan 0.000 0.525 995 S N 1.874 117.651 115.700 0.129 0.000 2.348 995 S HA -0.177 4.292 4.470 -0.001 0.000 0.219 995 S C 1.912 176.550 174.600 0.063 0.000 1.033 995 S CA 1.124 59.371 58.200 0.079 0.000 0.974 995 S CB -0.212 63.031 63.200 0.072 0.000 0.868 995 S HN 0.802 nan 8.310 nan 0.000 0.459 996 N N 1.365 120.103 118.700 0.063 0.000 2.094 996 N HA -0.143 4.596 4.740 -0.001 0.000 0.191 996 N C 1.483 176.986 175.510 -0.012 0.000 1.023 996 N CA 2.104 55.170 53.050 0.027 0.000 0.857 996 N CB -0.325 38.166 38.487 0.008 0.000 1.013 996 N HN 0.512 nan 8.380 nan 0.000 0.426 997 T N -3.827 110.713 114.554 -0.024 0.000 3.160 997 T HA 0.270 4.619 4.350 -0.001 0.000 0.257 997 T C 1.185 175.852 174.700 -0.056 0.000 1.147 997 T CA 0.460 62.520 62.100 -0.067 0.000 1.064 997 T CB 0.009 68.801 68.868 -0.127 0.000 0.949 997 T HN 0.345 nan 8.240 nan 0.000 0.526 998 G N 0.391 109.174 108.800 -0.028 0.000 2.186 998 G HA2 0.320 4.279 3.960 -0.001 0.000 0.130 998 G HA3 0.320 4.279 3.960 -0.001 0.000 0.130 998 G C 0.668 175.544 174.900 -0.040 0.000 1.031 998 G CA -0.190 44.883 45.100 -0.045 0.000 0.697 998 G HN 1.485 nan 8.290 nan 0.000 0.494 999 G N -1.270 107.531 108.800 0.003 0.000 2.248 999 G HA2 -0.024 3.935 3.960 -0.001 0.000 0.263 999 G HA3 -0.024 3.935 3.960 -0.001 0.000 0.263 999 G C 0.147 175.059 174.900 0.019 0.000 1.082 999 G CA 0.849 45.952 45.100 0.004 0.000 0.863 999 G HN 1.115 nan 8.290 nan 0.000 0.495 1000 Q N 0.166 120.027 119.800 0.101 0.000 2.260 1000 Q HA 0.632 4.971 4.340 -0.001 0.000 0.242 1000 Q C 0.853 177.010 176.000 0.261 0.000 0.932 1000 Q CA 0.117 56.019 55.803 0.165 0.000 0.891 1000 Q CB 1.226 30.071 28.738 0.179 0.000 1.222 1000 Q HN 0.371 nan 8.270 nan 0.000 0.453 1001 S N 0.881 116.719 115.700 0.229 0.000 2.552 1001 S HA 0.268 4.737 4.470 -0.001 0.000 0.289 1001 S C -0.235 174.522 174.600 0.261 0.000 1.304 1001 S CA -0.044 58.266 58.200 0.185 0.000 1.063 1001 S CB -0.025 63.281 63.200 0.176 0.000 0.848 1001 S HN 0.617 nan 8.310 nan 0.000 0.499 1002 S N 3.813 119.570 115.700 0.095 0.000 2.715 1002 S HA 0.512 4.981 4.470 -0.001 0.000 0.307 1002 S C 0.465 175.045 174.600 -0.033 0.000 1.119 1002 S CA -0.941 57.261 58.200 0.003 0.000 0.937 1002 S CB 1.183 64.156 63.200 -0.379 0.000 1.150 1002 S HN 0.730 nan 8.310 nan 0.000 0.521 1003 K N 0.184 120.566 120.400 -0.030 0.000 2.515 1003 K HA 0.068 4.387 4.320 -0.001 0.000 0.196 1003 K C 1.634 178.155 176.600 -0.133 0.000 1.038 1003 K CA 0.886 57.160 56.287 -0.020 0.000 0.967 1003 K CB -0.391 32.127 32.500 0.029 0.000 0.780 1003 K HN 0.674 nan 8.250 nan 0.000 0.483 1004 A N 1.008 123.569 122.820 -0.433 0.000 2.218 1004 A HA 0.024 4.343 4.320 -0.001 0.000 0.209 1004 A C 0.741 178.182 177.584 -0.239 0.000 1.168 1004 A CA 0.282 51.906 52.037 -0.687 0.000 0.804 1004 A CB -0.030 18.063 19.000 -1.512 0.000 0.834 1004 A HN 0.073 nan 8.150 nan 0.000 0.482 1005 T N 3.310 117.789 114.554 -0.126 0.000 2.919 1005 T HA 0.355 4.704 4.350 -0.001 0.000 0.302 1005 T C -2.363 172.374 174.700 0.062 0.000 1.031 1005 T CA -0.596 61.498 62.100 -0.009 0.000 1.127 1005 T CB 1.077 69.948 68.868 0.004 0.000 0.952 1005 T HN 0.277 nan 8.240 nan 0.000 0.540 1006 P HA 0.214 nan 4.420 nan 0.000 0.281 1006 P C -0.419 177.019 177.300 0.230 0.000 1.264 1006 P CA -0.589 62.641 63.100 0.217 0.000 0.824 1006 P CB 0.448 32.384 31.700 0.393 0.000 1.092 1007 T N 1.004 115.681 114.554 0.204 0.000 2.891 1007 T HA 0.230 4.579 4.350 -0.001 0.000 0.296 1007 T C 1.451 176.327 174.700 0.293 0.000 1.025 1007 T CA 2.109 64.325 62.100 0.193 0.000 1.149 1007 T CB -0.891 68.072 68.868 0.158 0.000 1.007 1007 T HN 0.835 nan 8.240 nan 0.000 0.528 1008 G N 2.161 111.097 108.800 0.227 0.000 2.205 1008 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.261 1008 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.261 1008 G C 0.314 175.356 174.900 0.237 0.000 0.980 1008 G CA 0.040 45.300 45.100 0.267 0.000 0.632 1008 G HN 1.220 nan 8.290 nan 0.000 0.533 1009 A N 0.087 122.983 122.820 0.126 0.000 2.440 1009 A HA 0.645 4.964 4.320 -0.001 0.000 0.251 1009 A C 0.553 178.030 177.584 -0.178 0.000 1.089 1009 A CA 0.352 52.191 52.037 -0.330 0.000 0.779 1009 A CB 0.943 19.748 19.000 -0.326 0.000 1.022 1009 A HN 1.124 nan 8.150 nan 0.000 0.492 1010 V N 1.893 121.666 119.914 -0.235 0.000 2.432 1010 V HA 0.618 4.737 4.120 -0.001 0.000 0.275 1010 V C 0.618 176.638 176.094 -0.123 0.000 1.043 1010 V CA 0.741 62.970 62.300 -0.118 0.000 0.925 1010 V CB 0.518 32.293 31.823 -0.079 0.000 0.985 1010 V HN 1.318 nan 8.190 nan 0.000 0.466 1011 A N 5.385 128.157 122.820 -0.080 0.000 2.599 1011 A HA 0.760 5.079 4.320 -0.001 0.000 0.290 1011 A C -1.013 176.513 177.584 -0.096 0.000 1.101 1011 A CA -1.005 50.988 52.037 -0.073 0.000 0.674 1011 A CB 1.382 20.363 19.000 -0.033 0.000 1.277 1011 A HN 0.518 nan 8.150 nan 0.000 0.419 1012 K N 0.426 120.736 120.400 -0.150 0.000 2.412 1012 K HA 0.402 4.721 4.320 -0.001 0.000 0.281 1012 K C -0.497 175.919 176.600 -0.306 0.000 1.027 1012 K CA 0.440 56.496 56.287 -0.385 0.000 0.989 1012 K CB -0.690 31.478 32.500 -0.554 0.000 0.935 1012 K HN 0.890 nan 8.250 nan 0.000 0.475 1013 F N -0.996 118.938 119.950 -0.026 0.000 2.699 1013 F HA -0.300 4.226 4.527 -0.001 0.000 0.343 1013 F C 0.555 176.357 175.800 0.003 0.000 0.633 1013 F CA 0.775 58.771 58.000 -0.008 0.000 1.365 1013 F CB -1.517 37.479 39.000 -0.006 0.000 1.795 1013 F HN 0.603 nan 8.300 nan 0.000 0.304 1014 A N -0.266 122.599 122.820 0.076 0.000 2.897 1014 A HA 0.794 5.113 4.320 -0.001 0.000 0.230 1014 A C 0.841 178.421 177.584 -0.005 0.000 0.896 1014 A CA 0.338 52.403 52.037 0.046 0.000 1.114 1014 A CB -0.167 18.864 19.000 0.052 0.000 1.230 1014 A HN 0.646 nan 8.150 nan 0.000 0.481 1015 A N -0.495 122.311 122.820 -0.023 0.000 2.209 1015 A HA 0.433 4.752 4.320 -0.001 0.000 0.212 1015 A C 1.538 179.117 177.584 -0.009 0.000 1.158 1015 A CA 1.374 53.394 52.037 -0.029 0.000 0.742 1015 A CB -0.105 18.866 19.000 -0.047 0.000 0.790 1015 A HN 1.445 nan 8.150 nan 0.000 0.472 1016 A N -0.904 121.885 122.820 -0.052 0.000 2.594 1016 A HA 0.532 4.852 4.320 -0.001 0.000 0.287 1016 A C 0.943 178.486 177.584 -0.069 0.000 1.227 1016 A CA 0.471 52.418 52.037 -0.150 0.000 0.952 1016 A CB -0.770 18.049 19.000 -0.302 0.000 1.161 1016 A HN 1.920 nan 8.150 nan 0.000 0.524 1017 G N 0.261 109.056 108.800 -0.008 0.000 3.190 1017 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.686 1017 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.686 1017 G C -0.384 174.535 174.900 0.032 0.000 1.033 1017 G CA -0.202 44.914 45.100 0.027 0.000 0.797 1017 G HN 0.681 nan 8.290 nan 0.000 0.567 1018 K N 1.385 121.813 120.400 0.048 0.000 2.448 1018 K HA 0.255 4.574 4.320 -0.001 0.000 0.278 1018 K C 1.120 177.759 176.600 0.065 0.000 1.009 1018 K CA -0.145 56.177 56.287 0.058 0.000 0.995 1018 K CB 0.248 32.788 32.500 0.066 0.000 0.917 1018 K HN 0.425 nan 8.250 nan 0.000 0.481 1019 R N 2.301 122.831 120.500 0.051 0.000 2.507 1019 R HA 0.083 4.422 4.340 -0.001 0.000 0.298 1019 R C -0.322 176.006 176.300 0.045 0.000 0.999 1019 R CA 0.016 56.143 56.100 0.046 0.000 1.082 1019 R CB 0.278 30.596 30.300 0.029 0.000 1.246 1019 R HN 0.748 nan 8.270 nan 0.000 0.553 1020 T N -2.891 111.693 114.554 0.050 0.000 2.900 1020 T HA 0.638 4.987 4.350 -0.001 0.000 0.295 1020 T C 0.494 175.224 174.700 0.049 0.000 1.044 1020 T CA -0.771 61.354 62.100 0.042 0.000 0.995 1020 T CB 2.729 71.616 68.868 0.032 0.000 1.072 1020 T HN 0.092 nan 8.240 nan 0.000 0.473 1021 G N 0.894 109.719 108.800 0.041 0.000 2.634 1021 G HA2 0.380 4.340 3.960 -0.001 0.000 0.255 1021 G HA3 0.380 4.340 3.960 -0.001 0.000 0.255 1021 G C -0.259 174.659 174.900 0.030 0.000 1.205 1021 G CA -0.880 44.246 45.100 0.042 0.000 0.884 1021 G HN 0.994 nan 8.290 nan 0.000 0.549 1022 K N 0.204 120.622 120.400 0.030 0.000 2.451 1022 K HA 0.057 4.376 4.320 -0.001 0.000 0.280 1022 K C 0.671 177.286 176.600 0.024 0.000 1.020 1022 K CA -0.234 56.066 56.287 0.021 0.000 1.008 1022 K CB 0.386 32.897 32.500 0.018 0.000 0.917 1022 K HN 0.473 nan 8.250 nan 0.000 0.478 1023 K N 3.491 123.924 120.400 0.055 0.000 2.382 1023 K HA -0.074 4.246 4.320 -0.001 0.000 0.275 1023 K C -0.504 176.128 176.600 0.054 0.000 1.009 1023 K CA -0.090 56.222 56.287 0.042 0.000 0.970 1023 K CB 0.614 33.142 32.500 0.046 0.000 0.934 1023 K HN 0.532 nan 8.250 nan 0.000 0.479 1024 D N 5.478 125.847 120.400 -0.052 0.000 2.564 1024 D HA 0.018 4.657 4.640 -0.001 0.000 0.226 1024 D C 0.991 177.204 176.300 -0.145 0.000 1.149 1024 D CA -0.291 53.660 54.000 -0.082 0.000 0.994 1024 D CB 0.271 41.005 40.800 -0.110 0.000 1.029 1024 D HN 0.568 nan 8.370 nan 0.000 0.517 1025 L N 3.594 124.689 121.223 -0.213 0.000 2.012 1025 L HA -0.144 4.195 4.340 -0.001 0.000 0.210 1025 L C 2.070 178.825 176.870 -0.192 0.000 1.073 1025 L CA 2.350 56.982 54.840 -0.347 0.000 0.748 1025 L CB -0.663 40.957 42.059 -0.733 0.000 0.891 1025 L HN 0.298 nan 8.230 nan 0.000 0.431 1026 A N -0.401 122.345 122.820 -0.124 0.000 1.892 1026 A HA -0.249 4.070 4.320 -0.001 0.000 0.218 1026 A C 2.446 179.970 177.584 -0.100 0.000 1.188 1026 A CA 2.099 54.119 52.037 -0.029 0.000 0.631 1026 A CB -0.592 18.506 19.000 0.164 0.000 0.822 1026 A HN 0.552 nan 8.150 nan 0.000 0.447 1027 R N -1.428 118.976 120.500 -0.160 0.000 2.153 1027 R HA 0.117 4.457 4.340 -0.001 0.000 0.218 1027 R C 2.168 178.323 176.300 -0.242 0.000 1.072 1027 R CA 1.030 56.980 56.100 -0.250 0.000 0.990 1027 R CB -0.292 29.846 30.300 -0.269 0.000 0.889 1027 R HN 0.564 nan 8.270 nan 0.000 0.452 1028 M N 0.191 119.677 119.600 -0.190 0.000 2.159 1028 M HA -0.134 4.345 4.480 -0.001 0.000 0.263 1028 M C 2.379 178.561 176.300 -0.195 0.000 1.063 1028 M CA 1.460 56.653 55.300 -0.177 0.000 1.110 1028 M CB -0.165 32.371 32.600 -0.107 0.000 1.374 1028 M HN 0.098 nan 8.290 nan 0.000 0.411 1029 V N -0.720 119.114 119.914 -0.134 0.000 2.951 1029 V HA -0.083 4.036 4.120 -0.001 0.000 0.255 1029 V C 1.750 177.742 176.094 -0.170 0.000 1.088 1029 V CA 1.096 63.364 62.300 -0.055 0.000 1.109 1029 V CB -0.336 31.519 31.823 0.054 0.000 0.724 1029 V HN 0.445 nan 8.190 nan 0.000 0.471 1030 M N 1.510 120.912 119.600 -0.329 0.000 2.632 1030 M HA -0.065 4.414 4.480 -0.001 0.000 0.256 1030 M C 2.030 178.010 176.300 -0.533 0.000 1.080 1030 M CA 1.744 56.669 55.300 -0.624 0.000 1.084 1030 M CB -0.484 31.643 32.600 -0.788 0.000 1.439 1030 M HN 0.722 nan 8.290 nan 0.000 0.509 1031 T N -2.713 111.595 114.554 -0.409 0.000 3.035 1031 T HA -0.114 4.235 4.350 -0.001 0.000 0.268 1031 T C 1.373 175.853 174.700 -0.367 0.000 1.109 1031 T CA 0.799 62.673 62.100 -0.377 0.000 1.119 1031 T CB -0.433 68.204 68.868 -0.385 0.000 0.900 1031 T HN 0.322 nan 8.240 nan 0.000 0.503 1032 Y N 2.128 122.243 120.300 -0.308 0.000 2.242 1032 Y HA 0.231 4.781 4.550 -0.001 0.000 0.291 1032 Y C 2.594 178.326 175.900 -0.281 0.000 1.137 1032 Y CA 0.756 58.610 58.100 -0.410 0.000 1.181 1032 Y CB -0.747 37.254 38.460 -0.765 0.000 0.989 1032 Y HN 0.451 nan 8.280 nan 0.000 0.527 1033 G N -0.842 107.939 108.800 -0.031 0.000 2.336 1033 G HA2 -0.397 3.562 3.960 -0.001 0.000 0.233 1033 G HA3 -0.397 3.562 3.960 -0.001 0.000 0.233 1033 G C 0.805 175.902 174.900 0.328 0.000 1.053 1033 G CA 0.610 45.841 45.100 0.218 0.000 0.625 1033 G HN 0.569 nan 8.290 nan 0.000 0.511 1034 Y N 0.171 120.637 120.300 0.277 0.000 2.507 1034 Y HA 0.760 5.309 4.550 -0.001 0.000 0.254 1034 Y C 0.423 176.487 175.900 0.273 0.000 1.171 1034 Y CA -0.685 57.589 58.100 0.289 0.000 1.238 1034 Y CB -0.010 38.673 38.460 0.371 0.000 1.148 1034 Y HN 0.222 nan 8.280 nan 0.000 0.525 1035 V N 1.919 121.883 119.914 0.083 0.000 2.435 1035 V HA 0.159 4.278 4.120 -0.001 0.000 0.290 1035 V C -0.715 175.316 176.094 -0.105 0.000 1.030 1035 V CA -1.187 61.142 62.300 0.049 0.000 0.881 1035 V CB 0.988 32.767 31.823 -0.074 0.000 0.983 1035 V HN 0.326 nan 8.190 nan 0.000 0.445 1036 Y N 5.010 124.999 120.300 -0.518 0.000 2.377 1036 Y HA 0.521 5.070 4.550 -0.001 0.000 0.330 1036 Y C -0.243 175.576 175.900 -0.134 0.000 1.108 1036 Y CA 0.168 57.953 58.100 -0.524 0.000 1.308 1036 Y CB 1.065 39.051 38.460 -0.789 0.000 1.216 1036 Y HN 0.407 nan 8.280 nan 0.000 0.518 1037 V N 5.378 125.089 119.914 -0.338 0.000 2.789 1037 V HA 0.904 5.024 4.120 -0.001 0.000 0.311 1037 V C -0.696 175.273 176.094 -0.208 0.000 1.073 1037 V CA -0.466 61.767 62.300 -0.110 0.000 0.921 1037 V CB 1.361 33.177 31.823 -0.013 0.000 1.009 1037 V HN 0.968 nan 8.190 nan 0.000 0.426 1038 A N 2.423 125.224 122.820 -0.032 0.000 2.606 1038 A HA 0.968 5.288 4.320 -0.001 0.000 0.293 1038 A C -0.447 177.061 177.584 -0.127 0.000 1.082 1038 A CA -0.307 51.683 52.037 -0.078 0.000 0.685 1038 A CB 2.231 21.282 19.000 0.085 0.000 1.284 1038 A HN 1.010 nan 8.150 nan 0.000 0.408 1039 T N -1.242 113.090 114.554 -0.371 0.000 2.887 1039 T HA 0.805 5.154 4.350 -0.001 0.000 0.288 1039 T C -0.177 174.571 174.700 0.080 0.000 1.021 1039 T CA -0.127 61.828 62.100 -0.241 0.000 1.000 1039 T CB 0.996 69.433 68.868 -0.717 0.000 1.034 1039 T HN 2.074 nan 8.240 nan 0.000 0.467 1040 V N -1.534 118.594 119.914 0.357 0.000 3.130 1040 V HA 0.974 5.093 4.120 -0.001 0.000 0.310 1040 V C -0.541 175.821 176.094 0.448 0.000 1.158 1040 V CA -0.873 61.683 62.300 0.428 0.000 1.029 1040 V CB 1.787 33.947 31.823 0.562 0.000 1.057 1040 V HN 1.157 nan 8.190 nan 0.000 0.436 1041 S N 2.431 118.369 115.700 0.397 0.000 2.680 1041 S HA 0.342 4.811 4.470 -0.001 0.000 0.262 1041 S C 0.340 175.123 174.600 0.305 0.000 1.138 1041 S CA -0.094 58.292 58.200 0.310 0.000 1.072 1041 S CB 1.329 64.645 63.200 0.192 0.000 1.097 1041 S HN 1.063 nan 8.310 nan 0.000 0.468 1042 M N 4.279 124.019 119.600 0.233 0.000 2.080 1042 M HA -0.015 4.464 4.480 -0.001 0.000 0.260 1042 M C 1.892 178.239 176.300 0.078 0.000 1.068 1042 M CA 2.631 57.962 55.300 0.051 0.000 1.109 1042 M CB -0.756 31.635 32.600 -0.348 0.000 1.342 1042 M HN 0.808 nan 8.290 nan 0.000 0.405 1043 G N -1.269 107.578 108.800 0.078 0.000 2.448 1043 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.219 1043 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.219 1043 G C 1.196 176.156 174.900 0.100 0.000 1.127 1043 G CA 0.895 46.037 45.100 0.071 0.000 0.766 1043 G HN 0.601 nan 8.290 nan 0.000 0.552 1044 Y N 0.838 121.163 120.300 0.043 0.000 2.206 1044 Y HA 0.286 4.835 4.550 -0.001 0.000 0.292 1044 Y C 1.023 176.952 175.900 0.049 0.000 1.123 1044 Y CA 1.069 59.196 58.100 0.045 0.000 1.142 1044 Y CB 0.286 38.788 38.460 0.070 0.000 1.006 1044 Y HN 0.152 nan 8.280 nan 0.000 0.518 1045 S N -0.365 115.376 115.700 0.068 0.000 2.616 1045 S HA 0.273 4.742 4.470 -0.001 0.000 0.276 1045 S C -0.152 174.518 174.600 0.117 0.000 1.159 1045 S CA -0.805 57.389 58.200 -0.009 0.000 1.000 1045 S CB 0.854 64.063 63.200 0.015 0.000 1.117 1045 S HN 0.327 nan 8.310 nan 0.000 0.464 1046 K N 2.631 123.023 120.400 -0.013 0.000 2.217 1046 K HA -0.097 4.222 4.320 -0.001 0.000 0.202 1046 K C 1.617 178.269 176.600 0.087 0.000 1.051 1046 K CA 1.262 57.536 56.287 -0.022 0.000 0.952 1046 K CB -0.023 32.081 32.500 -0.660 0.000 0.736 1046 K HN 0.571 nan 8.250 nan 0.000 0.453 1047 Q N 1.053 120.855 119.800 0.003 0.000 2.050 1047 Q HA -0.171 4.168 4.340 -0.001 0.000 0.202 1047 Q C 2.155 178.226 176.000 0.119 0.000 0.980 1047 Q CA 1.269 57.091 55.803 0.031 0.000 0.840 1047 Q CB -0.239 28.491 28.738 -0.013 0.000 0.898 1047 Q HN 0.210 nan 8.270 nan 0.000 0.424 1048 Q N -0.271 119.631 119.800 0.170 0.000 2.167 1048 Q HA -0.154 4.185 4.340 -0.001 0.000 0.202 1048 Q C 1.865 178.049 176.000 0.306 0.000 0.970 1048 Q CA 1.035 56.970 55.803 0.219 0.000 0.855 1048 Q CB -0.117 28.773 28.738 0.254 0.000 0.911 1048 Q HN 0.431 nan 8.270 nan 0.000 0.438 1049 F N 1.147 121.237 119.950 0.234 0.000 2.075 1049 F HA -0.196 4.330 4.527 -0.001 0.000 0.297 1049 F C 1.917 177.888 175.800 0.285 0.000 1.113 1049 F CA 1.319 59.505 58.000 0.311 0.000 1.218 1049 F CB -0.620 38.615 39.000 0.391 0.000 0.984 1049 F HN 0.029 nan 8.300 nan 0.000 0.472 1050 L N 0.249 121.487 121.223 0.026 0.000 2.046 1050 L HA -0.232 4.107 4.340 -0.001 0.000 0.208 1050 L C 2.640 179.502 176.870 -0.012 0.000 1.077 1050 L CA 1.843 56.621 54.840 -0.103 0.000 0.747 1050 L CB -0.789 41.292 42.059 0.037 0.000 0.896 1050 L HN 0.153 nan 8.230 nan 0.000 0.432 1051 K N 0.176 120.617 120.400 0.069 0.000 2.026 1051 K HA -0.165 4.155 4.320 -0.001 0.000 0.208 1051 K C 2.030 178.709 176.600 0.131 0.000 1.048 1051 K CA 1.463 57.807 56.287 0.095 0.000 0.929 1051 K CB -0.021 32.543 32.500 0.106 0.000 0.713 1051 K HN 0.057 nan 8.250 nan 0.000 0.439 1052 V N 1.898 121.920 119.914 0.179 0.000 2.332 1052 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 1052 V C 2.346 178.570 176.094 0.217 0.000 1.055 1052 V CA 1.646 64.104 62.300 0.264 0.000 1.038 1052 V CB -0.361 31.675 31.823 0.355 0.000 0.651 1052 V HN 0.341 nan 8.190 nan 0.000 0.450 1053 L N -0.262 121.041 121.223 0.134 0.000 2.017 1053 L HA -0.239 4.101 4.340 -0.001 0.000 0.208 1053 L C 2.605 179.690 176.870 0.357 0.000 1.073 1053 L CA 2.127 57.119 54.840 0.253 0.000 0.745 1053 L CB -0.652 41.453 42.059 0.077 0.000 0.894 1053 L HN 0.316 nan 8.230 nan 0.000 0.432 1054 K N 0.238 120.781 120.400 0.238 0.000 2.097 1054 K HA -0.197 4.122 4.320 -0.001 0.000 0.206 1054 K C 1.938 178.604 176.600 0.109 0.000 1.049 1054 K CA 1.439 57.867 56.287 0.235 0.000 0.933 1054 K CB 0.077 32.658 32.500 0.136 0.000 0.717 1054 K HN 0.343 nan 8.250 nan 0.000 0.442 1055 E N -0.273 119.939 120.200 0.020 0.000 2.072 1055 E HA -0.131 4.218 4.350 -0.001 0.000 0.190 1055 E C 1.964 178.248 176.600 -0.527 0.000 0.982 1055 E CA 0.827 57.139 56.400 -0.147 0.000 0.803 1055 E CB -0.020 29.665 29.700 -0.025 0.000 0.755 1055 E HN 0.406 nan 8.360 nan 0.000 0.453 1056 A N 1.649 124.144 122.820 -0.543 0.000 1.873 1056 A HA -0.206 4.113 4.320 -0.001 0.000 0.215 1056 A C 2.136 179.550 177.584 -0.284 0.000 1.186 1056 A CA 1.295 52.974 52.037 -0.597 0.000 0.616 1056 A CB -0.333 18.586 19.000 -0.135 0.000 0.823 1056 A HN 0.102 nan 8.150 nan 0.000 0.442 1057 E N 0.717 120.824 120.200 -0.156 0.000 2.106 1057 E HA -0.131 4.218 4.350 -0.001 0.000 0.192 1057 E C 2.190 178.715 176.600 -0.125 0.000 0.984 1057 E CA 1.574 57.830 56.400 -0.240 0.000 0.806 1057 E CB -0.221 29.234 29.700 -0.409 0.000 0.750 1057 E HN 0.652 nan 8.360 nan 0.000 0.458 1058 S N -0.186 115.494 115.700 -0.032 0.000 2.561 1058 S HA -0.041 4.429 4.470 -0.001 0.000 0.225 1058 S C 0.792 175.409 174.600 0.028 0.000 0.977 1058 S CA -0.465 57.741 58.200 0.011 0.000 0.926 1058 S CB -0.573 62.658 63.200 0.052 0.000 0.769 1058 S HN 0.191 nan 8.310 nan 0.000 0.533 1059 F N 5.381 125.239 119.950 -0.153 0.000 2.541 1059 F HA 0.328 4.854 4.527 -0.001 0.000 0.378 1059 F C -2.283 173.500 175.800 -0.028 0.000 1.068 1059 F CA -2.693 55.247 58.000 -0.099 0.000 1.199 1059 F CB 0.730 39.623 39.000 -0.178 0.000 1.091 1059 F HN 0.021 nan 8.300 nan 0.000 0.555 1060 P HA 0.285 nan 4.420 nan 0.000 0.218 1060 P C -0.206 176.797 177.300 -0.495 0.000 1.793 1060 P CA 0.262 63.144 63.100 -0.363 0.000 0.941 1060 P CB 0.022 31.596 31.700 -0.211 0.000 1.919 1061 G N 0.890 109.367 108.800 -0.538 0.000 2.489 1061 G HA2 0.459 4.418 3.960 -0.001 0.000 0.305 1061 G HA3 0.459 4.418 3.960 -0.001 0.000 0.305 1061 G C -3.571 171.451 174.900 0.204 0.000 1.311 1061 G CA -1.064 43.906 45.100 -0.217 0.000 0.813 1061 G HN -0.192 nan 8.290 nan 0.000 0.480 1062 P HA 0.499 nan 4.420 nan 0.000 0.278 1062 P C -0.714 176.782 177.300 0.328 0.000 1.238 1062 P CA -0.175 63.084 63.100 0.267 0.000 0.794 1062 P CB 1.587 33.392 31.700 0.176 0.000 0.955 1063 S N 1.688 117.495 115.700 0.178 0.000 2.536 1063 S HA 0.614 5.083 4.470 -0.001 0.000 0.287 1063 S C -0.989 173.699 174.600 0.146 0.000 1.101 1063 S CA -0.677 57.621 58.200 0.163 0.000 0.950 1063 S CB 0.913 64.145 63.200 0.053 0.000 1.056 1063 S HN 0.362 nan 8.310 nan 0.000 0.481 1064 L N 3.271 124.612 121.223 0.196 0.000 2.409 1064 L HA 0.700 5.040 4.340 -0.001 0.000 0.272 1064 L C -1.674 175.344 176.870 0.246 0.000 0.980 1064 L CA -0.631 54.324 54.840 0.191 0.000 0.826 1064 L CB 1.474 43.600 42.059 0.112 0.000 1.268 1064 L HN 0.456 nan 8.230 nan 0.000 0.407 1065 V N 5.977 126.077 119.914 0.310 0.000 2.487 1065 V HA 0.478 4.597 4.120 -0.001 0.000 0.298 1065 V C -0.099 176.103 176.094 0.179 0.000 1.028 1065 V CA -0.399 62.109 62.300 0.347 0.000 0.860 1065 V CB 2.016 34.215 31.823 0.626 0.000 0.991 1065 V HN 0.536 nan 8.190 nan 0.000 0.427 1066 I N 4.239 124.882 120.570 0.122 0.000 2.355 1066 I HA 0.714 4.884 4.170 -0.001 0.000 0.288 1066 I C 0.372 176.602 176.117 0.189 0.000 0.999 1066 I CA -0.462 60.894 61.300 0.092 0.000 1.163 1066 I CB 1.724 39.816 38.000 0.153 0.000 1.316 1066 I HN 0.664 nan 8.210 nan 0.000 0.454 1067 A N 5.777 128.519 122.820 -0.130 0.000 2.312 1067 A HA 0.443 4.762 4.320 -0.001 0.000 0.326 1067 A C -1.082 176.331 177.584 -0.284 0.000 1.172 1067 A CA -0.396 51.485 52.037 -0.261 0.000 0.821 1067 A CB 0.560 18.926 19.000 -1.056 0.000 1.166 1067 A HN 0.652 nan 8.150 nan 0.000 0.493 1068 Y N 2.357 122.305 120.300 -0.586 0.000 2.480 1068 Y HA 0.414 4.963 4.550 -0.001 0.000 0.341 1068 Y C 0.358 176.049 175.900 -0.348 0.000 1.031 1068 Y CA 0.113 57.609 58.100 -1.007 0.000 1.295 1068 Y CB 0.280 37.858 38.460 -1.472 0.000 1.162 1068 Y HN 0.771 nan 8.280 nan 0.000 0.523 1069 A N 5.357 127.791 122.820 -0.644 0.000 2.287 1069 A HA 0.509 4.828 4.320 -0.001 0.000 0.317 1069 A C -0.076 177.281 177.584 -0.379 0.000 1.220 1069 A CA -0.422 51.452 52.037 -0.273 0.000 0.835 1069 A CB 0.088 19.009 19.000 -0.132 0.000 1.180 1069 A HN 0.783 nan 8.150 nan 0.000 0.500 1070 T N -0.868 113.587 114.554 -0.165 0.000 2.899 1070 T HA 0.509 4.858 4.350 -0.001 0.000 0.295 1070 T C 0.026 174.690 174.700 -0.059 0.000 1.033 1070 T CA -0.549 61.488 62.100 -0.105 0.000 1.084 1070 T CB 1.058 69.943 68.868 0.028 0.000 0.979 1070 T HN 1.229 nan 8.240 nan 0.000 0.532 1071 C N 3.325 122.598 119.300 -0.046 0.000 3.086 1071 C HA 0.545 5.005 4.460 -0.001 0.000 0.311 1071 C C 1.831 176.816 174.990 -0.008 0.000 1.260 1071 C CA -0.966 58.042 59.018 -0.016 0.000 1.426 1071 C CB 0.169 27.896 27.740 -0.022 0.000 1.826 1071 C HN 1.103 nan 8.230 nan 0.000 0.474 1072 I N 1.155 121.729 120.570 0.007 0.000 2.423 1072 I HA -0.132 4.037 4.170 -0.001 0.000 0.254 1072 I C 1.571 177.680 176.117 -0.014 0.000 1.151 1072 I CA 2.120 63.421 61.300 0.002 0.000 1.421 1072 I CB -0.624 37.384 38.000 0.013 0.000 1.079 1072 I HN 0.766 nan 8.210 nan 0.000 0.431 1073 N N 0.863 119.553 118.700 -0.017 0.000 2.453 1073 N HA -0.145 4.594 4.740 -0.001 0.000 0.183 1073 N C 1.598 177.076 175.510 -0.053 0.000 1.041 1073 N CA 0.773 53.803 53.050 -0.033 0.000 0.900 1073 N CB -0.105 38.366 38.487 -0.027 0.000 0.961 1073 N HN 0.600 nan 8.380 nan 0.000 0.443 1074 Q N -0.134 119.635 119.800 -0.051 0.000 2.451 1074 Q HA 0.104 4.443 4.340 -0.001 0.000 0.206 1074 Q C 0.675 176.636 176.000 -0.066 0.000 0.947 1074 Q CA 0.166 55.927 55.803 -0.069 0.000 0.937 1074 Q CB 0.570 29.282 28.738 -0.044 0.000 1.025 1074 Q HN 0.345 nan 8.270 nan 0.000 0.511 1075 G N 1.697 110.469 108.800 -0.047 0.000 2.314 1075 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.292 1075 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.292 1075 G C -0.165 174.716 174.900 -0.032 0.000 1.059 1075 G CA -0.294 44.783 45.100 -0.038 0.000 0.982 1075 G HN 0.279 nan 8.290 nan 0.000 0.505 1076 L N -0.130 121.078 121.223 -0.025 0.000 2.700 1076 L HA 0.036 4.376 4.340 -0.001 0.000 0.272 1076 L C 2.114 178.975 176.870 -0.015 0.000 1.176 1076 L CA 0.298 55.126 54.840 -0.021 0.000 0.961 1076 L CB 0.207 42.263 42.059 -0.005 0.000 1.249 1076 L HN 0.487 nan 8.230 nan 0.000 0.487 1077 R N 3.153 123.642 120.500 -0.018 0.000 2.120 1077 R HA -0.127 4.212 4.340 -0.001 0.000 0.234 1077 R C 1.313 177.611 176.300 -0.005 0.000 1.123 1077 R CA 1.447 57.540 56.100 -0.011 0.000 0.975 1077 R CB 0.212 30.504 30.300 -0.013 0.000 0.866 1077 R HN 0.572 nan 8.270 nan 0.000 0.446 1078 K N -0.778 119.621 120.400 -0.001 0.000 2.374 1078 K HA 0.208 4.527 4.320 -0.001 0.000 0.196 1078 K C -0.017 176.587 176.600 0.007 0.000 1.023 1078 K CA 0.347 56.637 56.287 0.004 0.000 1.103 1078 K CB 1.389 33.893 32.500 0.007 0.000 0.848 1078 K HN 0.343 nan 8.250 nan 0.000 0.528 1079 G N 0.756 109.559 108.800 0.006 0.000 2.539 1079 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.686 1079 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.686 1079 G C 0.147 175.055 174.900 0.013 0.000 1.258 1079 G CA -0.881 44.225 45.100 0.009 0.000 0.846 1079 G HN -0.128 nan 8.290 nan 0.000 0.647 1080 M N 1.094 120.703 119.600 0.015 0.000 2.460 1080 M HA 0.001 4.480 4.480 -0.001 0.000 0.263 1080 M C 2.538 178.851 176.300 0.021 0.000 1.071 1080 M CA 1.906 57.217 55.300 0.019 0.000 1.096 1080 M CB -1.143 31.469 32.600 0.020 0.000 1.408 1080 M HN 1.013 nan 8.290 nan 0.000 0.463 1081 G N 0.063 108.875 108.800 0.020 0.000 2.559 1081 G HA2 -0.166 3.793 3.960 -0.001 0.000 0.216 1081 G HA3 -0.166 3.793 3.960 -0.001 0.000 0.216 1081 G C 1.641 176.555 174.900 0.023 0.000 1.126 1081 G CA 0.386 45.498 45.100 0.020 0.000 0.778 1081 G HN 0.369 nan 8.290 nan 0.000 0.543 1082 K N 0.788 121.203 120.400 0.025 0.000 2.404 1082 K HA 0.165 4.484 4.320 -0.001 0.000 0.194 1082 K C 2.249 178.876 176.600 0.046 0.000 1.023 1082 K CA 0.057 56.364 56.287 0.033 0.000 1.094 1082 K CB 0.345 32.862 32.500 0.029 0.000 0.841 1082 K HN 0.178 nan 8.250 nan 0.000 0.523 1083 S N 1.778 117.504 115.700 0.043 0.000 2.372 1083 S HA -0.190 4.279 4.470 -0.001 0.000 0.227 1083 S C 1.815 176.459 174.600 0.073 0.000 1.044 1083 S CA 1.336 59.572 58.200 0.061 0.000 1.050 1083 S CB -0.043 63.179 63.200 0.037 0.000 0.901 1083 S HN 0.336 nan 8.310 nan 0.000 0.447 1084 Q N 0.702 120.528 119.800 0.044 0.000 2.084 1084 Q HA -0.136 4.203 4.340 -0.001 0.000 0.202 1084 Q C 1.922 177.960 176.000 0.063 0.000 0.978 1084 Q CA 1.393 57.221 55.803 0.041 0.000 0.844 1084 Q CB -0.701 28.048 28.738 0.019 0.000 0.898 1084 Q HN 0.534 nan 8.270 nan 0.000 0.426 1085 D N -0.111 120.325 120.400 0.060 0.000 2.144 1085 D HA -0.107 4.532 4.640 -0.001 0.000 0.199 1085 D C 1.868 178.229 176.300 0.102 0.000 0.984 1085 D CA 0.652 54.693 54.000 0.068 0.000 0.834 1085 D CB 0.192 41.026 40.800 0.055 0.000 0.955 1085 D HN -0.010 nan 8.370 nan 0.000 0.465 1086 V N 0.246 120.236 119.914 0.126 0.000 2.515 1086 V HA -0.216 3.903 4.120 -0.001 0.000 0.250 1086 V C 2.434 178.653 176.094 0.209 0.000 1.058 1086 V CA 1.415 63.840 62.300 0.208 0.000 1.064 1086 V CB -0.389 31.549 31.823 0.191 0.000 0.675 1086 V HN 0.319 nan 8.190 nan 0.000 0.461 1087 M N -0.345 119.349 119.600 0.156 0.000 2.229 1087 M HA -0.168 4.311 4.480 -0.001 0.000 0.264 1087 M C 2.095 178.423 176.300 0.046 0.000 1.063 1087 M CA 1.834 57.187 55.300 0.088 0.000 1.114 1087 M CB -0.611 32.081 32.600 0.153 0.000 1.387 1087 M HN 0.445 nan 8.290 nan 0.000 0.420 1088 N N -0.586 118.175 118.700 0.103 0.000 2.106 1088 N HA -0.143 4.596 4.740 -0.001 0.000 0.188 1088 N C 1.343 176.902 175.510 0.081 0.000 1.029 1088 N CA 1.623 54.771 53.050 0.163 0.000 0.848 1088 N CB 0.188 38.750 38.487 0.125 0.000 1.007 1088 N HN 0.215 nan 8.380 nan 0.000 0.423 1089 T N 0.298 114.866 114.554 0.025 0.000 2.867 1089 T HA -0.045 4.304 4.350 -0.001 0.000 0.268 1089 T C 1.860 176.303 174.700 -0.428 0.000 1.057 1089 T CA 0.994 63.053 62.100 -0.070 0.000 1.136 1089 T CB -0.313 68.617 68.868 0.102 0.000 0.874 1089 T HN 0.390 nan 8.240 nan 0.000 0.466 1090 A N 0.883 123.336 122.820 -0.612 0.000 1.978 1090 A HA -0.067 4.252 4.320 -0.001 0.000 0.220 1090 A C 2.495 179.819 177.584 -0.433 0.000 1.170 1090 A CA 1.431 52.859 52.037 -1.014 0.000 0.636 1090 A CB -0.772 17.665 19.000 -0.939 0.000 0.810 1090 A HN 0.402 nan 8.150 nan 0.000 0.448 1091 V N -0.237 119.510 119.914 -0.279 0.000 2.379 1091 V HA -0.159 3.960 4.120 -0.001 0.000 0.243 1091 V C 2.281 178.207 176.094 -0.280 0.000 1.035 1091 V CA 1.889 64.022 62.300 -0.278 0.000 1.035 1091 V CB -0.621 30.856 31.823 -0.576 0.000 0.673 1091 V HN 0.493 nan 8.190 nan 0.000 0.457 1092 K N 1.421 121.716 120.400 -0.175 0.000 2.147 1092 K HA -0.145 4.174 4.320 -0.001 0.000 0.205 1092 K C 2.273 178.793 176.600 -0.134 0.000 1.049 1092 K CA 1.758 57.991 56.287 -0.090 0.000 0.936 1092 K CB -0.376 32.134 32.500 0.018 0.000 0.722 1092 K HN 0.621 nan 8.250 nan 0.000 0.446 1093 S N -0.365 115.226 115.700 -0.182 0.000 2.515 1093 S HA 0.011 4.481 4.470 -0.001 0.000 0.231 1093 S C 1.574 176.091 174.600 -0.137 0.000 0.987 1093 S CA 0.763 58.863 58.200 -0.166 0.000 0.936 1093 S CB -0.069 62.978 63.200 -0.256 0.000 0.766 1093 S HN 0.483 nan 8.310 nan 0.000 0.528 1094 G N 0.254 108.967 108.800 -0.144 0.000 2.176 1094 G HA2 -0.405 3.554 3.960 -0.001 0.000 0.253 1094 G HA3 -0.405 3.554 3.960 -0.001 0.000 0.253 1094 G C 0.384 175.296 174.900 0.020 0.000 0.979 1094 G CA 0.433 45.482 45.100 -0.086 0.000 0.641 1094 G HN 0.612 nan 8.290 nan 0.000 0.530 1095 Y N -0.380 119.822 120.300 -0.164 0.000 2.181 1095 Y HA 0.118 4.667 4.550 -0.001 0.000 0.288 1095 Y C 1.340 177.281 175.900 0.067 0.000 1.146 1095 Y CA 2.083 60.132 58.100 -0.086 0.000 1.164 1095 Y CB 0.175 38.466 38.460 -0.283 0.000 0.982 1095 Y HN 0.361 nan 8.280 nan 0.000 0.515 1096 W N 4.577 125.829 121.300 -0.079 0.000 2.433 1096 W HA 0.313 4.972 4.660 -0.001 0.000 0.288 1096 W C -2.963 173.513 176.519 -0.071 0.000 0.986 1096 W CA -2.305 54.991 57.345 -0.082 0.000 1.680 1096 W CB 0.821 30.221 29.460 -0.100 0.000 1.615 1096 W HN -0.027 nan 8.180 nan 0.000 0.416 1097 P HA 0.183 nan 4.420 nan 0.000 0.274 1097 P C -0.598 176.674 177.300 -0.046 0.000 1.231 1097 P CA 0.110 63.265 63.100 0.091 0.000 0.790 1097 P CB 1.962 33.834 31.700 0.287 0.000 0.951 1098 L N 3.444 124.666 121.223 -0.002 0.000 2.307 1098 L HA 0.579 4.919 4.340 -0.001 0.000 0.284 1098 L C 0.083 176.929 176.870 -0.040 0.000 1.023 1098 L CA -0.705 54.067 54.840 -0.113 0.000 0.810 1098 L CB 0.596 42.666 42.059 0.019 0.000 1.231 1098 L HN 0.444 nan 8.230 nan 0.000 0.423 1099 F N 0.543 120.448 119.950 -0.074 0.000 2.711 1099 F HA 0.777 5.304 4.527 -0.001 0.000 0.313 1099 F C -0.994 174.664 175.800 -0.238 0.000 1.141 1099 F CA -1.337 56.515 58.000 -0.246 0.000 0.941 1099 F CB 1.619 40.406 39.000 -0.355 0.000 1.349 1099 F HN 0.205 nan 8.300 nan 0.000 0.464 1100 R N 0.523 120.933 120.500 -0.150 0.000 2.574 1100 R HA 0.382 4.721 4.340 -0.001 0.000 0.288 1100 R C -2.344 173.769 176.300 -0.311 0.000 1.004 1100 R CA -0.887 55.081 56.100 -0.221 0.000 0.895 1100 R CB 2.546 32.739 30.300 -0.177 0.000 1.191 1100 R HN 0.835 nan 8.270 nan 0.000 0.444 1101 Y N 2.416 122.448 120.300 -0.447 0.000 2.402 1101 Y HA 0.262 4.811 4.550 -0.002 0.000 0.332 1101 Y C -0.937 174.638 175.900 -0.541 0.000 0.960 1101 Y CA -0.621 57.281 58.100 -0.330 0.000 1.228 1101 Y CB 1.031 39.425 38.460 -0.111 0.000 1.120 1101 Y HN 0.471 nan 8.280 nan 0.000 0.491 1102 D N 8.730 128.729 120.400 -0.668 0.000 2.454 1102 D HA 0.324 4.963 4.640 -0.001 0.000 0.247 1102 D C -2.182 173.853 176.300 -0.441 0.000 1.129 1102 D CA -2.612 51.132 54.000 -0.427 0.000 0.877 1102 D CB 2.073 42.813 40.800 -0.099 0.000 1.082 1102 D HN 0.287 nan 8.370 nan 0.000 0.537 1103 P HA -0.154 nan 4.420 nan 0.000 0.220 1103 P C 1.173 178.335 177.300 -0.230 0.000 1.144 1103 P CA 0.945 63.811 63.100 -0.390 0.000 0.800 1103 P CB 0.077 31.409 31.700 -0.614 0.000 0.772 1104 R N -0.503 119.958 120.500 -0.066 0.000 2.235 1104 R HA 0.034 4.374 4.340 -0.001 0.000 0.213 1104 R C 1.903 178.288 176.300 0.140 0.000 1.059 1104 R CA 0.842 57.087 56.100 0.242 0.000 0.997 1104 R CB -1.335 29.174 30.300 0.349 0.000 0.884 1104 R HN 0.261 nan 8.270 nan 0.000 0.462 1105 L N 1.005 122.222 121.223 -0.011 0.000 2.093 1105 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 1105 L C 2.795 179.619 176.870 -0.078 0.000 1.085 1105 L CA 1.224 56.022 54.840 -0.071 0.000 0.755 1105 L CB -0.568 41.383 42.059 -0.179 0.000 0.904 1105 L HN 0.255 nan 8.230 nan 0.000 0.435 1106 A N 0.236 123.010 122.820 -0.076 0.000 1.930 1106 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 1106 A C 2.525 180.291 177.584 0.304 0.000 1.175 1106 A CA 1.472 53.563 52.037 0.089 0.000 0.627 1106 A CB -0.585 18.547 19.000 0.219 0.000 0.815 1106 A HN 0.378 nan 8.150 nan 0.000 0.443 1107 A N 0.098 123.102 122.820 0.307 0.000 2.024 1107 A HA -0.172 4.147 4.320 -0.001 0.000 0.220 1107 A C 1.956 179.657 177.584 0.195 0.000 1.164 1107 A CA 1.554 53.767 52.037 0.293 0.000 0.643 1107 A CB -0.451 18.777 19.000 0.380 0.000 0.806 1107 A HN 0.782 nan 8.150 nan 0.000 0.451 1108 Q N -1.495 118.405 119.800 0.166 0.000 2.189 1108 Q HA 0.388 4.727 4.340 -0.001 0.000 0.221 1108 Q C 0.720 176.803 176.000 0.138 0.000 0.848 1108 Q CA 0.367 56.242 55.803 0.121 0.000 1.007 1108 Q CB -0.429 28.361 28.738 0.087 0.000 1.116 1108 Q HN 0.879 nan 8.270 nan 0.000 0.481 1109 G N 1.637 110.580 108.800 0.239 0.000 2.203 1109 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.263 1109 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.263 1109 G C -0.318 174.768 174.900 0.311 0.000 1.012 1109 G CA 0.586 45.915 45.100 0.382 0.000 0.749 1109 G HN 0.374 nan 8.290 nan 0.000 0.512 1110 K N -0.205 120.167 120.400 -0.047 0.000 2.208 1110 K HA 0.313 4.632 4.320 -0.001 0.000 0.247 1110 K C -0.050 176.016 176.600 -0.890 0.000 0.953 1110 K CA -1.006 55.108 56.287 -0.289 0.000 0.837 1110 K CB 0.985 33.387 32.500 -0.163 0.000 1.131 1110 K HN 0.101 nan 8.250 nan 0.000 0.431 1111 N N 3.394 121.608 118.700 -0.810 0.000 2.452 1111 N HA 0.018 4.757 4.740 -0.001 0.000 0.266 1111 N C -1.673 173.507 175.510 -0.551 0.000 1.175 1111 N CA -1.171 51.359 53.050 -0.867 0.000 0.945 1111 N CB 0.938 39.182 38.487 -0.405 0.000 1.063 1111 N HN 0.316 nan 8.380 nan 0.000 0.472 1112 P HA -0.076 nan 4.420 nan 0.000 0.226 1112 P C 0.208 177.176 177.300 -0.554 0.000 1.153 1112 P CA 0.537 63.261 63.100 -0.626 0.000 0.777 1112 P CB 0.060 31.219 31.700 -0.902 0.000 0.794 1113 F N 1.982 121.666 119.950 -0.443 0.000 2.424 1113 F HA 0.283 4.809 4.527 -0.001 0.000 0.356 1113 F C 0.107 175.805 175.800 -0.170 0.000 1.110 1113 F CA -0.236 57.634 58.000 -0.217 0.000 1.161 1113 F CB 0.602 39.546 39.000 -0.094 0.000 1.115 1113 F HN -0.171 nan 8.300 nan 0.000 0.507 1114 Q N 6.499 125.771 119.800 -0.879 0.000 2.304 1114 Q HA 0.422 4.761 4.340 -0.001 0.000 0.270 1114 Q C -1.276 174.328 176.000 -0.661 0.000 1.035 1114 Q CA -0.783 54.685 55.803 -0.560 0.000 0.781 1114 Q CB 2.784 31.339 28.738 -0.305 0.000 1.261 1114 Q HN 0.650 nan 8.270 nan 0.000 0.444 1115 L N 2.850 123.857 121.223 -0.360 0.000 2.281 1115 L HA 0.227 4.566 4.340 -0.001 0.000 0.285 1115 L C -0.162 176.693 176.870 -0.025 0.000 1.074 1115 L CA 0.020 54.766 54.840 -0.155 0.000 0.817 1115 L CB 0.819 42.852 42.059 -0.044 0.000 1.168 1115 L HN 0.780 nan 8.230 nan 0.000 0.434 1116 D N 0.895 121.315 120.400 0.033 0.000 2.398 1116 D HA 0.068 4.707 4.640 -0.001 0.000 0.210 1116 D C 0.565 176.970 176.300 0.175 0.000 1.094 1116 D CA 0.294 54.352 54.000 0.096 0.000 0.839 1116 D CB 0.730 41.589 40.800 0.099 0.000 0.963 1116 D HN 0.524 nan 8.370 nan 0.000 0.506 1117 S N -0.948 114.852 115.700 0.167 0.000 2.745 1117 S HA 0.696 5.165 4.470 -0.001 0.000 0.306 1117 S C -0.167 174.590 174.600 0.262 0.000 1.137 1117 S CA -0.794 57.488 58.200 0.137 0.000 0.900 1117 S CB 2.642 65.790 63.200 -0.086 0.000 1.176 1117 S HN -0.221 nan 8.310 nan 0.000 0.520 1118 K N 0.025 120.524 120.400 0.166 0.000 2.280 1118 K HA 0.784 5.103 4.320 -0.001 0.000 0.234 1118 K C -0.164 176.224 176.600 -0.353 0.000 1.028 1118 K CA -0.819 55.532 56.287 0.107 0.000 0.882 1118 K CB 1.025 33.553 32.500 0.046 0.000 1.194 1118 K HN 0.843 nan 8.250 nan 0.000 0.458 1119 A N 1.817 124.330 122.820 -0.512 0.000 2.520 1119 A HA 0.172 4.491 4.320 -0.001 0.000 0.235 1119 A C -2.169 175.031 177.584 -0.639 0.000 1.065 1119 A CA -0.746 50.694 52.037 -0.995 0.000 0.764 1119 A CB -0.822 17.931 19.000 -0.412 0.000 1.002 1119 A HN 0.358 nan 8.150 nan 0.000 0.502 1120 P HA 0.002 nan 4.420 nan 0.000 0.261 1120 P C -0.192 176.992 177.300 -0.194 0.000 1.173 1120 P CA 0.454 63.362 63.100 -0.320 0.000 0.760 1120 P CB 0.458 32.025 31.700 -0.222 0.000 0.783 1121 D N 2.138 122.457 120.400 -0.134 0.000 2.325 1121 D HA 0.075 4.714 4.640 -0.001 0.000 0.225 1121 D C 1.348 177.616 176.300 -0.053 0.000 1.096 1121 D CA 0.256 54.207 54.000 -0.081 0.000 0.844 1121 D CB -0.626 40.141 40.800 -0.055 0.000 0.925 1121 D HN 0.562 nan 8.370 nan 0.000 0.513 1122 G N 0.444 109.213 108.800 -0.053 0.000 2.199 1122 G HA2 -0.354 3.605 3.960 -0.001 0.000 0.254 1122 G HA3 -0.354 3.605 3.960 -0.001 0.000 0.254 1122 G C 1.023 175.914 174.900 -0.014 0.000 0.982 1122 G CA 0.617 45.701 45.100 -0.027 0.000 0.632 1122 G HN 0.705 nan 8.290 nan 0.000 0.529 1123 S N 0.214 115.905 115.700 -0.016 0.000 2.671 1123 S HA 0.301 4.771 4.470 -0.001 0.000 0.220 1123 S C 2.202 176.817 174.600 0.026 0.000 0.951 1123 S CA 1.059 59.262 58.200 0.005 0.000 0.932 1123 S CB 0.176 63.381 63.200 0.009 0.000 0.777 1123 S HN 1.181 nan 8.310 nan 0.000 0.508 1124 V N 1.032 120.955 119.914 0.015 0.000 2.282 1124 V HA -0.264 3.855 4.120 -0.001 0.000 0.249 1124 V C 2.691 178.823 176.094 0.064 0.000 1.057 1124 V CA 2.241 64.570 62.300 0.048 0.000 1.032 1124 V CB -1.406 30.447 31.823 0.051 0.000 0.645 1124 V HN 0.617 nan 8.190 nan 0.000 0.447 1125 E N 1.692 121.907 120.200 0.026 0.000 2.085 1125 E HA -0.270 4.079 4.350 -0.001 0.000 0.194 1125 E C 2.204 178.806 176.600 0.003 0.000 0.994 1125 E CA 1.935 58.336 56.400 0.003 0.000 0.801 1125 E CB -0.394 29.311 29.700 0.008 0.000 0.743 1125 E HN 0.855 nan 8.360 nan 0.000 0.453 1126 E N -0.390 119.827 120.200 0.028 0.000 2.358 1126 E HA -0.150 4.200 4.350 -0.001 0.000 0.195 1126 E C 1.952 178.573 176.600 0.035 0.000 1.010 1126 E CA 0.533 56.948 56.400 0.025 0.000 0.856 1126 E CB -0.518 29.200 29.700 0.031 0.000 0.795 1126 E HN 0.423 nan 8.360 nan 0.000 0.504 1127 F N 2.247 122.135 119.950 -0.102 0.000 2.128 1127 F HA 0.022 4.548 4.527 -0.001 0.000 0.295 1127 F C 2.019 177.715 175.800 -0.173 0.000 1.100 1127 F CA 0.998 58.912 58.000 -0.145 0.000 1.260 1127 F CB -0.169 38.706 39.000 -0.207 0.000 1.009 1127 F HN -0.127 nan 8.300 nan 0.000 0.476 1128 L N -0.437 120.611 121.223 -0.293 0.000 2.027 1128 L HA -0.218 4.122 4.340 -0.001 0.000 0.206 1128 L C 2.411 179.179 176.870 -0.169 0.000 1.074 1128 L CA 1.004 55.553 54.840 -0.484 0.000 0.745 1128 L CB -0.675 41.051 42.059 -0.555 0.000 0.898 1128 L HN 0.157 nan 8.230 nan 0.000 0.433 1129 M N -0.510 119.036 119.600 -0.090 0.000 2.557 1129 M HA -0.027 4.452 4.480 -0.001 0.000 0.259 1129 M C 1.933 178.219 176.300 -0.023 0.000 1.086 1129 M CA 0.815 56.108 55.300 -0.013 0.000 1.096 1129 M CB -0.950 31.648 32.600 -0.004 0.000 1.424 1129 M HN 0.240 nan 8.290 nan 0.000 0.488 1130 A N -0.236 122.539 122.820 -0.074 0.000 2.307 1130 A HA 0.119 4.438 4.320 -0.001 0.000 0.218 1130 A C 0.546 178.083 177.584 -0.079 0.000 1.228 1130 A CA 0.044 52.040 52.037 -0.068 0.000 0.857 1130 A CB -0.023 18.932 19.000 -0.076 0.000 0.897 1130 A HN 0.483 nan 8.150 nan 0.000 0.495 1131 Q N -0.722 119.042 119.800 -0.060 0.000 2.353 1131 Q HA 0.261 4.600 4.340 -0.001 0.000 0.268 1131 Q C 0.257 176.261 176.000 0.006 0.000 1.045 1131 Q CA -0.644 55.139 55.803 -0.033 0.000 0.811 1131 Q CB 1.467 30.189 28.738 -0.027 0.000 1.305 1131 Q HN 0.442 nan 8.270 nan 0.000 0.447 1132 N N 1.882 120.567 118.700 -0.025 0.000 2.289 1132 N HA -0.180 4.559 4.740 -0.001 0.000 0.184 1132 N C 1.294 176.764 175.510 -0.067 0.000 1.016 1132 N CA 1.072 54.104 53.050 -0.030 0.000 0.872 1132 N CB 0.340 38.805 38.487 -0.036 0.000 0.973 1132 N HN 0.528 nan 8.380 nan 0.000 0.433 1133 R N -0.908 119.501 120.500 -0.152 0.000 2.193 1133 R HA -0.085 4.254 4.340 -0.001 0.000 0.229 1133 R C 1.219 177.254 176.300 -0.440 0.000 1.110 1133 R CA 1.262 57.174 56.100 -0.312 0.000 0.988 1133 R CB -0.483 29.549 30.300 -0.446 0.000 0.871 1133 R HN 0.239 nan 8.270 nan 0.000 0.458 1134 F N 0.543 120.482 119.950 -0.019 0.000 2.453 1134 F HA 0.364 4.890 4.527 -0.001 0.000 0.284 1134 F C 2.652 178.456 175.800 0.006 0.000 1.065 1134 F CA 0.297 58.298 58.000 0.001 0.000 1.411 1134 F CB -0.120 38.868 39.000 -0.020 0.000 1.131 1134 F HN 0.043 nan 8.300 nan 0.000 0.582 1135 A N 0.555 123.465 122.820 0.151 0.000 1.969 1135 A HA -0.108 4.211 4.320 -0.001 0.000 0.218 1135 A C 2.165 179.779 177.584 0.051 0.000 1.169 1135 A CA 1.876 53.963 52.037 0.083 0.000 0.635 1135 A CB -1.267 17.761 19.000 0.047 0.000 0.810 1135 A HN 0.231 nan 8.150 nan 0.000 0.445 1136 V N -1.396 118.535 119.914 0.030 0.000 2.407 1136 V HA -0.222 3.897 4.120 -0.001 0.000 0.248 1136 V C 2.315 178.436 176.094 0.044 0.000 1.055 1136 V CA 1.628 63.937 62.300 0.015 0.000 1.049 1136 V CB -1.098 30.728 31.823 0.004 0.000 0.662 1136 V HN 0.497 nan 8.190 nan 0.000 0.455 1137 L N 0.442 121.720 121.223 0.092 0.000 2.056 1137 L HA -0.188 4.151 4.340 -0.001 0.000 0.207 1137 L C 2.484 179.441 176.870 0.144 0.000 1.078 1137 L CA 2.647 57.590 54.840 0.173 0.000 0.749 1137 L CB -0.552 41.621 42.059 0.191 0.000 0.901 1137 L HN 0.455 nan 8.230 nan 0.000 0.433 1138 D N -0.443 120.023 120.400 0.111 0.000 2.149 1138 D HA -0.205 4.434 4.640 -0.001 0.000 0.198 1138 D C 2.285 178.606 176.300 0.035 0.000 0.990 1138 D CA 1.208 55.257 54.000 0.082 0.000 0.839 1138 D CB 0.204 41.047 40.800 0.072 0.000 0.948 1138 D HN 0.141 nan 8.370 nan 0.000 0.460 1139 R N -0.518 119.986 120.500 0.008 0.000 2.073 1139 R HA -0.021 4.318 4.340 -0.001 0.000 0.229 1139 R C 2.293 178.531 176.300 -0.104 0.000 1.120 1139 R CA 1.499 57.577 56.100 -0.036 0.000 0.967 1139 R CB -0.080 30.198 30.300 -0.035 0.000 0.862 1139 R HN 0.253 nan 8.270 nan 0.000 0.436 1140 S N -0.821 114.776 115.700 -0.172 0.000 2.492 1140 S HA 0.114 4.584 4.470 -0.001 0.000 0.218 1140 S C 0.550 174.708 174.600 -0.737 0.000 1.016 1140 S CA -0.030 57.888 58.200 -0.470 0.000 0.916 1140 S CB 0.351 63.177 63.200 -0.625 0.000 0.791 1140 S HN 0.138 nan 8.310 nan 0.000 0.513 1141 F N 1.894 121.858 119.950 0.022 0.000 2.646 1141 F HA 0.428 4.955 4.527 -0.001 0.000 0.336 1141 F C -2.252 173.567 175.800 0.030 0.000 1.437 1141 F CA -2.077 55.939 58.000 0.026 0.000 1.142 1141 F CB 1.501 40.518 39.000 0.029 0.000 1.530 1141 F HN -0.051 nan 8.300 nan 0.000 0.591 1142 P HA -0.192 nan 4.420 nan 0.000 0.218 1142 P C 1.008 178.368 177.300 0.099 0.000 1.148 1142 P CA 1.635 64.789 63.100 0.090 0.000 0.822 1142 P CB 0.317 32.044 31.700 0.045 0.000 0.784 1143 E N 0.155 120.421 120.200 0.109 0.000 2.031 1143 E HA -0.182 4.168 4.350 -0.001 0.000 0.193 1143 E C 1.643 178.299 176.600 0.093 0.000 0.994 1143 E CA 1.253 57.707 56.400 0.089 0.000 0.800 1143 E CB -0.717 29.034 29.700 0.084 0.000 0.752 1143 E HN 0.250 nan 8.360 nan 0.000 0.447 1144 D N 1.004 121.477 120.400 0.122 0.000 2.117 1144 D HA -0.086 4.553 4.640 -0.001 0.000 0.198 1144 D C 1.955 178.319 176.300 0.106 0.000 0.982 1144 D CA 1.479 55.536 54.000 0.095 0.000 0.828 1144 D CB -0.307 40.532 40.800 0.064 0.000 0.967 1144 D HN 0.204 nan 8.370 nan 0.000 0.464 1145 A N 1.040 123.944 122.820 0.140 0.000 1.908 1145 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 1145 A C 2.027 179.676 177.584 0.108 0.000 1.181 1145 A CA 1.853 53.974 52.037 0.140 0.000 0.627 1145 A CB -0.566 18.523 19.000 0.149 0.000 0.818 1145 A HN 0.176 nan 8.150 nan 0.000 0.445 1146 K N -0.222 120.229 120.400 0.086 0.000 2.002 1146 K HA -0.203 4.117 4.320 -0.001 0.000 0.209 1146 K C 2.298 178.934 176.600 0.060 0.000 1.048 1146 K CA 1.646 57.971 56.287 0.065 0.000 0.930 1146 K CB -0.355 32.177 32.500 0.052 0.000 0.714 1146 K HN 0.424 nan 8.250 nan 0.000 0.438 1147 R N 0.688 121.223 120.500 0.059 0.000 2.091 1147 R HA -0.099 4.241 4.340 -0.001 0.000 0.238 1147 R C 2.457 178.796 176.300 0.066 0.000 1.136 1147 R CA 1.416 57.547 56.100 0.052 0.000 0.959 1147 R CB -0.233 30.094 30.300 0.045 0.000 0.856 1147 R HN 0.278 nan 8.270 nan 0.000 0.437 1148 L N -0.032 121.241 121.223 0.085 0.000 2.156 1148 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 1148 L C 2.598 179.535 176.870 0.113 0.000 1.095 1148 L CA 1.082 55.987 54.840 0.108 0.000 0.770 1148 L CB -0.252 41.887 42.059 0.133 0.000 0.914 1148 L HN 0.172 nan 8.230 nan 0.000 0.439 1149 R N -0.144 120.412 120.500 0.093 0.000 2.115 1149 R HA -0.028 4.312 4.340 -0.001 0.000 0.226 1149 R C 2.395 178.728 176.300 0.056 0.000 1.100 1149 R CA 1.063 57.196 56.100 0.054 0.000 0.980 1149 R CB -0.349 29.968 30.300 0.029 0.000 0.875 1149 R HN 0.305 nan 8.270 nan 0.000 0.445 1150 A N 1.203 124.060 122.820 0.060 0.000 1.933 1150 A HA -0.229 4.090 4.320 -0.001 0.000 0.218 1150 A C 2.117 179.754 177.584 0.089 0.000 1.175 1150 A CA 1.218 53.290 52.037 0.059 0.000 0.628 1150 A CB -0.412 18.612 19.000 0.040 0.000 0.814 1150 A HN 0.323 nan 8.150 nan 0.000 0.444 1151 Q N -0.347 119.510 119.800 0.095 0.000 2.050 1151 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 1151 Q C 2.003 178.086 176.000 0.140 0.000 0.980 1151 Q CA 1.943 57.823 55.803 0.128 0.000 0.840 1151 Q CB -0.235 28.569 28.738 0.111 0.000 0.898 1151 Q HN 0.387 nan 8.270 nan 0.000 0.424 1152 V N 1.020 121.005 119.914 0.119 0.000 2.287 1152 V HA -0.332 3.787 4.120 -0.001 0.000 0.248 1152 V C 2.355 178.510 176.094 0.102 0.000 1.053 1152 V CA 1.939 64.308 62.300 0.116 0.000 1.027 1152 V CB -1.080 30.822 31.823 0.131 0.000 0.646 1152 V HN 0.552 nan 8.190 nan 0.000 0.447 1153 A N -1.258 121.622 122.820 0.100 0.000 1.940 1153 A HA -0.307 4.012 4.320 -0.001 0.000 0.219 1153 A C 2.243 179.894 177.584 0.111 0.000 1.176 1153 A CA 2.137 54.228 52.037 0.090 0.000 0.631 1153 A CB -0.885 18.161 19.000 0.077 0.000 0.814 1153 A HN 0.755 nan 8.150 nan 0.000 0.446 1154 H N -0.509 118.579 119.070 0.029 0.000 2.363 1154 H HA -0.067 4.488 4.556 -0.001 0.000 0.301 1154 H C 1.981 177.322 175.328 0.022 0.000 1.074 1154 H CA 1.584 57.646 56.048 0.022 0.000 1.354 1154 H CB 0.086 29.859 29.762 0.019 0.000 1.397 1154 H HN 0.642 nan 8.280 nan 0.000 0.516 1155 E N 0.489 120.652 120.200 -0.061 0.000 2.058 1155 E HA -0.190 4.159 4.350 -0.001 0.000 0.194 1155 E C 2.480 179.018 176.600 -0.105 0.000 0.997 1155 E CA 1.546 57.870 56.400 -0.127 0.000 0.801 1155 E CB -0.077 29.605 29.700 -0.030 0.000 0.746 1155 E HN 0.492 nan 8.360 nan 0.000 0.450 1156 L N -0.236 120.966 121.223 -0.035 0.000 2.217 1156 L HA -0.017 4.323 4.340 -0.001 0.000 0.211 1156 L C 1.848 178.730 176.870 0.020 0.000 1.107 1156 L CA 1.838 56.674 54.840 -0.006 0.000 0.783 1156 L CB -0.380 41.692 42.059 0.022 0.000 0.919 1156 L HN -0.094 nan 8.230 nan 0.000 0.442 1157 D N 0.278 120.671 120.400 -0.011 0.000 2.123 1157 D HA -0.145 4.494 4.640 -0.001 0.000 0.200 1157 D C 1.987 178.285 176.300 -0.002 0.000 0.976 1157 D CA 1.357 55.364 54.000 0.012 0.000 0.831 1157 D CB 0.029 40.841 40.800 0.021 0.000 0.974 1157 D HN 0.148 nan 8.370 nan 0.000 0.469 1158 V N 0.268 120.110 119.914 -0.120 0.000 2.453 1158 V HA -0.108 4.012 4.120 -0.001 0.000 0.247 1158 V C 2.606 178.649 176.094 -0.085 0.000 1.048 1158 V CA 1.654 63.875 62.300 -0.132 0.000 1.049 1158 V CB -0.527 31.136 31.823 -0.267 0.000 0.672 1158 V HN 0.208 nan 8.190 nan 0.000 0.457 1159 R N -1.005 119.448 120.500 -0.078 0.000 2.115 1159 R HA -0.122 4.217 4.340 -0.001 0.000 0.226 1159 R C 2.193 178.458 176.300 -0.059 0.000 1.100 1159 R CA 1.336 57.382 56.100 -0.090 0.000 0.980 1159 R CB -0.266 29.978 30.300 -0.093 0.000 0.875 1159 R HN 0.462 nan 8.270 nan 0.000 0.445 1160 F N 1.479 121.381 119.950 -0.081 0.000 2.186 1160 F HA -0.107 4.419 4.527 -0.001 0.000 0.299 1160 F C 1.712 177.486 175.800 -0.043 0.000 1.090 1160 F CA 1.606 59.578 58.000 -0.046 0.000 1.307 1160 F CB 0.180 39.165 39.000 -0.025 0.000 1.019 1160 F HN -0.088 nan 8.300 nan 0.000 0.489 1161 K N -0.165 120.294 120.400 0.098 0.000 2.211 1161 K HA -0.155 4.164 4.320 -0.001 0.000 0.203 1161 K C 1.891 178.454 176.600 -0.062 0.000 1.050 1161 K CA 1.466 57.780 56.287 0.044 0.000 0.945 1161 K CB -0.181 32.348 32.500 0.049 0.000 0.732 1161 K HN 0.294 nan 8.250 nan 0.000 0.451 1162 E N 0.743 120.869 120.200 -0.123 0.000 2.072 1162 E HA -0.089 4.261 4.350 -0.001 0.000 0.190 1162 E C 1.766 178.191 176.600 -0.293 0.000 0.982 1162 E CA 0.748 57.041 56.400 -0.178 0.000 0.803 1162 E CB 0.069 29.647 29.700 -0.203 0.000 0.755 1162 E HN 0.186 nan 8.360 nan 0.000 0.453 1163 L N 0.612 121.604 121.223 -0.384 0.000 2.093 1163 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 1163 L C 2.208 178.884 176.870 -0.324 0.000 1.085 1163 L CA 1.110 55.648 54.840 -0.503 0.000 0.755 1163 L CB -0.365 41.413 42.059 -0.468 0.000 0.904 1163 L HN 0.128 nan 8.230 nan 0.000 0.435 1164 E N -0.642 119.389 120.200 -0.280 0.000 2.077 1164 E HA -0.261 4.089 4.350 -0.001 0.000 0.193 1164 E C 2.087 178.649 176.600 -0.063 0.000 0.989 1164 E CA 1.284 57.612 56.400 -0.120 0.000 0.800 1164 E CB -0.108 29.580 29.700 -0.019 0.000 0.746 1164 E HN 0.452 nan 8.360 nan 0.000 0.452 1165 H N 0.156 119.152 119.070 -0.124 0.000 2.423 1165 H HA 0.035 4.590 4.556 -0.001 0.000 0.297 1165 H C 1.902 177.155 175.328 -0.125 0.000 1.075 1165 H CA 1.267 57.256 56.048 -0.098 0.000 1.342 1165 H CB 0.099 29.808 29.762 -0.089 0.000 1.395 1165 H HN 0.061 nan 8.280 nan 0.000 0.530 1166 M N -0.735 118.672 119.600 -0.322 0.000 2.117 1166 M HA -0.129 4.350 4.480 -0.001 0.000 0.262 1166 M C 2.374 178.534 176.300 -0.232 0.000 1.065 1166 M CA 1.648 56.687 55.300 -0.435 0.000 1.114 1166 M CB -0.112 31.934 32.600 -0.923 0.000 1.361 1166 M HN 0.423 nan 8.290 nan 0.000 0.408 1167 A N -0.437 122.357 122.820 -0.044 0.000 2.206 1167 A HA 0.243 4.562 4.320 -0.001 0.000 0.211 1167 A C 1.992 179.546 177.584 -0.050 0.000 1.158 1167 A CA 1.309 53.414 52.037 0.113 0.000 0.761 1167 A CB -0.526 18.574 19.000 0.166 0.000 0.801 1167 A HN 0.493 nan 8.150 nan 0.000 0.473 1168 A N -1.496 121.210 122.820 -0.190 0.000 2.303 1168 A HA 0.331 4.651 4.320 -0.001 0.000 0.217 1168 A C 1.239 178.657 177.584 -0.276 0.000 1.205 1168 A CA 0.738 52.659 52.037 -0.193 0.000 0.875 1168 A CB -0.371 18.554 19.000 -0.125 0.000 0.910 1168 A HN 0.313 nan 8.150 nan 0.000 0.501 1169 T N 0.574 114.898 114.554 -0.383 0.000 2.860 1169 T HA 0.205 4.555 4.350 -0.001 0.000 0.299 1169 T C 0.831 175.558 174.700 0.044 0.000 1.045 1169 T CA 0.559 62.532 62.100 -0.212 0.000 1.071 1169 T CB 0.218 68.985 68.868 -0.168 0.000 0.985 1169 T HN 0.543 nan 8.240 nan 0.000 0.537 1170 N N 1.773 120.541 118.700 0.113 0.000 2.171 1170 N HA 0.226 4.965 4.740 -0.001 0.000 0.212 1170 N C -0.720 174.858 175.510 0.113 0.000 1.184 1170 N CA -0.247 52.926 53.050 0.206 0.000 0.888 1170 N CB 0.164 38.720 38.487 0.114 0.000 1.038 1170 N HN 0.342 nan 8.380 nan 0.000 0.517 1171 I N 2.060 122.690 120.570 0.100 0.000 2.287 1171 I HA 0.291 4.460 4.170 -0.001 0.000 0.290 1171 I C -1.097 175.083 176.117 0.105 0.000 1.069 1171 I CA -0.726 60.569 61.300 -0.009 0.000 1.237 1171 I CB -0.463 37.544 38.000 0.013 0.000 1.418 1171 I HN 0.043 nan 8.210 nan 0.000 0.481 1172 F N 2.658 122.621 119.950 0.023 0.000 2.578 1172 F HA 0.622 5.149 4.527 -0.000 0.000 0.311 1172 F C -0.258 175.582 175.800 0.067 0.000 1.094 1172 F CA -1.322 56.704 58.000 0.044 0.000 0.923 1172 F CB 0.981 39.999 39.000 0.031 0.000 1.230 1172 F HN 0.237 nan 8.300 nan 0.000 0.450 1173 E N 1.992 122.363 120.200 0.284 0.000 2.328 1173 E HA 0.135 4.485 4.350 -0.001 0.000 0.265 1173 E C -0.042 176.747 176.600 0.314 0.000 1.057 1173 E CA -0.166 56.374 56.400 0.233 0.000 0.916 1173 E CB 1.148 30.983 29.700 0.226 0.000 0.993 1173 E HN 0.656 nan 8.360 nan 0.000 0.446 1174 S N 2.686 118.539 115.700 0.255 0.000 2.606 1174 S HA 0.291 4.760 4.470 -0.001 0.000 0.257 1174 S C -0.687 174.141 174.600 0.379 0.000 1.327 1174 S CA -0.442 57.937 58.200 0.298 0.000 0.984 1174 S CB 0.341 63.648 63.200 0.178 0.000 0.941 1174 S HN 0.431 nan 8.310 nan 0.000 0.576 1175 F N 0.625 120.678 119.950 0.172 0.000 2.565 1175 F HA 0.715 5.241 4.527 -0.001 0.000 0.313 1175 F C -0.705 175.160 175.800 0.108 0.000 1.091 1175 F CA -0.871 57.231 58.000 0.170 0.000 0.915 1175 F CB 1.590 40.716 39.000 0.210 0.000 1.208 1175 F HN 0.604 nan 8.300 nan 0.000 0.453 1176 A N 6.461 128.944 122.820 -0.563 0.000 2.497 1176 A HA 0.584 4.904 4.320 -0.001 0.000 0.280 1176 A C -2.504 174.595 177.584 -0.808 0.000 1.065 1176 A CA -1.104 50.541 52.037 -0.653 0.000 0.781 1176 A CB 0.839 19.686 19.000 -0.255 0.000 1.289 1176 A HN 0.543 nan 8.150 nan 0.000 0.415 1177 P HA 0.100 nan 4.420 nan 0.000 0.216 1177 P C 0.764 177.909 177.300 -0.258 0.000 1.150 1177 P CA 2.165 64.963 63.100 -0.502 0.000 0.837 1177 P CB 0.347 31.827 31.700 -0.366 0.000 0.786 1178 A N -3.139 119.536 122.820 -0.241 0.000 3.929 1178 A HA 0.582 4.901 4.320 -0.001 0.000 0.264 1178 A C -0.865 176.637 177.584 -0.137 0.000 0.988 1178 A CA -0.053 51.886 52.037 -0.163 0.000 0.553 1178 A CB -0.102 18.824 19.000 -0.124 0.000 1.716 1178 A HN 0.368 nan 8.150 nan 0.000 0.835 1179 G N -1.714 107.028 108.800 -0.098 0.000 3.373 1179 G HA2 0.641 4.601 3.960 -0.001 0.000 0.685 1179 G HA3 0.641 4.601 3.960 -0.001 0.000 0.685 1179 G C 0.617 175.480 174.900 -0.061 0.000 1.166 1179 G CA 0.864 45.918 45.100 -0.076 0.000 1.063 1179 G HN 2.998 nan 8.290 nan 0.000 0.481 1180 G N 2.303 111.076 108.800 -0.045 0.000 2.061 1180 G HA2 0.504 4.463 3.960 -0.001 0.000 0.059 1180 G HA3 0.504 4.463 3.960 -0.001 0.000 0.059 1180 G C 0.891 175.775 174.900 -0.026 0.000 1.013 1180 G CA 1.079 46.158 45.100 -0.035 0.000 1.185 1180 G HN 2.046 nan 8.290 nan 0.000 0.410 1181 K N -0.531 119.854 120.400 -0.025 0.000 7.614 1181 K HA -0.048 4.272 4.320 -0.001 0.000 0.367 1181 K C 1.381 177.975 176.600 -0.010 0.000 0.578 1181 K CA 3.054 59.331 56.287 -0.018 0.000 1.269 1181 K CB -1.919 30.570 32.500 -0.018 0.000 0.795 1181 K HN 2.811 nan 8.250 nan 0.000 0.991 1182 A N 0.895 123.712 122.820 -0.006 0.000 6.702 1182 A HA -0.112 4.207 4.320 -0.001 0.000 0.279 1182 A C -0.805 176.779 177.584 0.000 0.000 2.141 1182 A CA 0.880 52.916 52.037 -0.002 0.000 0.658 1182 A CB -1.259 17.738 19.000 -0.005 0.000 1.332 1182 A HN 0.608 nan 8.150 nan 0.000 0.388 1183 D N 0.477 120.878 120.400 0.001 0.000 2.383 1183 D HA 0.548 5.187 4.640 -0.001 0.000 0.252 1183 D C 0.548 176.848 176.300 -0.001 0.000 1.166 1183 D CA 2.107 56.108 54.000 0.001 0.000 0.879 1183 D CB 0.936 41.736 40.800 0.001 0.000 1.164 1183 D HN 1.987 nan 8.370 nan 0.000 0.462 1184 G N 0.882 109.682 108.800 -0.000 0.000 2.375 1184 G HA2 0.364 4.323 3.960 -0.001 0.000 0.663 1184 G HA3 0.364 4.323 3.960 -0.001 0.000 0.663 1184 G C -0.778 174.122 174.900 -0.000 0.000 1.391 1184 G CA -0.452 44.647 45.100 -0.002 0.000 0.949 1184 G HN 0.684 nan 8.290 nan 0.000 0.646 1185 S N -1.718 113.981 115.700 -0.002 0.000 2.667 1185 S HA 0.902 5.371 4.470 -0.001 0.000 0.292 1185 S C -0.985 173.614 174.600 -0.001 0.000 1.126 1185 S CA -0.441 57.760 58.200 0.001 0.000 0.881 1185 S CB 2.369 65.570 63.200 0.001 0.000 1.132 1185 S HN 2.202 nan 8.310 nan 0.000 0.492 1186 V N 0.767 120.684 119.914 0.005 0.000 2.808 1186 V HA 0.524 4.643 4.120 -0.001 0.000 0.308 1186 V C -1.634 174.460 176.094 0.000 0.000 1.099 1186 V CA -0.612 61.688 62.300 -0.001 0.000 0.920 1186 V CB 2.020 33.847 31.823 0.005 0.000 1.014 1186 V HN 1.138 nan 8.190 nan 0.000 0.425 1187 D N 3.195 123.570 120.400 -0.043 0.000 2.304 1187 D HA 0.265 4.904 4.640 -0.001 0.000 0.247 1187 D C 1.054 177.296 176.300 -0.097 0.000 1.089 1187 D CA -0.071 53.864 54.000 -0.108 0.000 0.910 1187 D CB 1.026 41.699 40.800 -0.212 0.000 1.199 1187 D HN 0.475 nan 8.370 nan 0.000 0.426 1188 F N 1.084 121.035 119.950 0.002 0.000 2.333 1188 F HA 0.151 4.677 4.527 -0.002 0.000 0.300 1188 F C 1.754 177.559 175.800 0.009 0.000 1.083 1188 F CA 0.731 58.733 58.000 0.004 0.000 1.395 1188 F CB -0.699 38.303 39.000 0.003 0.000 1.056 1188 F HN 0.312 nan 8.300 nan 0.000 0.529 1189 G N -0.199 108.332 108.800 -0.448 0.000 2.777 1189 G HA2 0.004 3.963 3.960 -0.001 0.000 0.211 1189 G HA3 0.004 3.963 3.960 -0.001 0.000 0.211 1189 G C 0.228 175.054 174.900 -0.124 0.000 1.149 1189 G CA -0.351 44.590 45.100 -0.265 0.000 0.785 1189 G HN 0.386 nan 8.290 nan 0.000 0.536 1190 E N 0.402 120.534 120.200 -0.113 0.000 2.493 1190 E HA 0.340 4.689 4.350 -0.001 0.000 0.255 1190 E C 1.309 177.893 176.600 -0.027 0.000 0.999 1190 E CA 0.496 56.857 56.400 -0.065 0.000 0.934 1190 E CB 0.309 29.979 29.700 -0.052 0.000 0.940 1190 E HN 0.258 nan 8.360 nan 0.000 0.473 1191 G N 2.651 111.436 108.800 -0.026 0.000 2.166 1191 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.260 1191 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.260 1191 G C 0.415 175.317 174.900 0.004 0.000 0.986 1191 G CA 0.097 45.189 45.100 -0.013 0.000 0.683 1191 G HN 0.774 nan 8.290 nan 0.000 0.527 1192 A N -0.595 122.235 122.820 0.017 0.000 2.483 1192 A HA 0.605 4.924 4.320 -0.001 0.000 0.238 1192 A C 1.186 178.794 177.584 0.040 0.000 1.070 1192 A CA 1.157 53.227 52.037 0.056 0.000 0.770 1192 A CB 0.292 19.344 19.000 0.086 0.000 1.008 1192 A HN 0.392 nan 8.150 nan 0.000 0.497 1193 E N 0.158 120.410 120.200 0.087 0.000 2.216 1193 E HA 0.117 4.466 4.350 -0.001 0.000 0.192 1193 E C -0.586 175.874 176.600 -0.234 0.000 0.988 1193 E CA 1.032 57.419 56.400 -0.021 0.000 0.834 1193 E CB -0.046 29.715 29.700 0.100 0.000 0.772 1193 E HN 0.611 nan 8.360 nan 0.000 0.479 1194 F N -1.356 118.601 119.950 0.012 0.000 2.631 1194 F HA 0.344 4.870 4.527 -0.002 0.000 0.328 1194 F C 0.054 175.865 175.800 0.018 0.000 1.067 1194 F CA -1.631 56.377 58.000 0.013 0.000 0.969 1194 F CB 0.771 39.780 39.000 0.016 0.000 1.332 1194 F HN -0.283 nan 8.300 nan 0.000 0.490 1195 c N 0.858 119.576 118.600 0.196 0.000 2.665 1195 c HA 0.222 4.791 4.570 -0.001 0.000 0.416 1195 c C 1.515 175.694 174.090 0.149 0.000 1.305 1195 c CA 0.180 56.584 56.329 0.124 0.000 1.903 1195 c CB 0.086 42.656 42.510 0.100 0.000 2.704 1195 c HN 0.897 nan 8.230 nan 0.000 0.629 1196 T N 1.221 115.854 114.554 0.131 0.000 3.043 1196 T HA 0.178 4.527 4.350 -0.001 0.000 0.272 1196 T C 0.540 175.378 174.700 0.230 0.000 0.990 1196 T CA 0.217 62.438 62.100 0.203 0.000 0.897 1196 T CB -0.015 68.974 68.868 0.202 0.000 1.111 1196 T HN 0.649 nan 8.240 nan 0.000 0.529 1197 R N 1.889 122.472 120.500 0.139 0.000 2.750 1197 R HA 0.497 4.836 4.340 -0.001 0.000 0.281 1197 R C -0.954 175.392 176.300 0.076 0.000 0.972 1197 R CA -0.876 55.297 56.100 0.120 0.000 0.912 1197 R CB 1.472 31.822 30.300 0.083 0.000 1.187 1197 R HN 0.237 nan 8.270 nan 0.000 0.464 1198 D N -0.498 119.940 120.400 0.063 0.000 2.507 1198 D HA 0.065 4.705 4.640 -0.001 0.000 0.280 1198 D C -0.161 176.159 176.300 0.032 0.000 1.219 1198 D CA -0.398 53.627 54.000 0.043 0.000 1.085 1198 D CB 0.465 41.286 40.800 0.034 0.000 1.134 1198 D HN 0.264 nan 8.370 nan 0.000 0.583 1199 D N -1.359 119.056 120.400 0.025 0.000 2.460 1199 D HA 0.168 4.808 4.640 -0.001 0.000 0.229 1199 D C -0.298 176.011 176.300 0.015 0.000 1.170 1199 D CA 0.011 54.022 54.000 0.019 0.000 0.827 1199 D CB 0.035 40.845 40.800 0.017 0.000 0.973 1199 D HN 0.203 nan 8.370 nan 0.000 0.496 1200 T N 0.298 114.861 114.554 0.015 0.000 2.936 1200 T HA 0.259 4.608 4.350 -0.001 0.000 0.282 1200 T C -1.544 173.160 174.700 0.007 0.000 1.003 1200 T CA -1.578 60.528 62.100 0.010 0.000 1.005 1200 T CB 1.980 70.855 68.868 0.012 0.000 1.097 1200 T HN -0.150 nan 8.240 nan 0.000 0.532 1201 P HA 0.077 nan 4.420 nan 0.000 0.223 1201 P C 1.296 178.594 177.300 -0.003 0.000 1.151 1201 P CA 0.936 64.035 63.100 -0.003 0.000 0.787 1201 P CB 0.049 31.743 31.700 -0.010 0.000 0.788 1202 M N -1.854 117.746 119.600 -0.000 0.000 2.254 1202 M HA -0.001 4.479 4.480 -0.001 0.000 0.265 1202 M C 1.905 178.213 176.300 0.014 0.000 1.066 1202 M CA 1.602 56.903 55.300 0.001 0.000 1.123 1202 M CB -0.461 32.139 32.600 -0.000 0.000 1.388 1202 M HN -0.131 nan 8.290 nan 0.000 0.425 1203 M N -0.595 119.019 119.600 0.023 0.000 2.428 1203 M HA 0.248 4.727 4.480 -0.001 0.000 0.239 1203 M C 0.458 176.775 176.300 0.028 0.000 1.121 1203 M CA -0.317 55.008 55.300 0.041 0.000 1.019 1203 M CB -0.001 32.635 32.600 0.059 0.000 1.485 1203 M HN 0.078 nan 8.290 nan 0.000 0.484 1204 A N 2.020 124.848 122.820 0.014 0.000 2.477 1204 A HA 0.448 4.767 4.320 -0.001 0.000 0.246 1204 A C 0.202 177.786 177.584 0.001 0.000 1.078 1204 A CA 0.204 52.244 52.037 0.005 0.000 0.770 1204 A CB 0.378 19.378 19.000 0.000 0.000 1.011 1204 A HN 0.323 nan 8.150 nan 0.000 0.494 1205 R N 1.579 122.076 120.500 -0.006 0.000 2.836 1205 R HA 0.380 4.720 4.340 -0.001 0.000 0.269 1205 R C -2.314 173.976 176.300 -0.017 0.000 1.010 1205 R CA -1.886 54.207 56.100 -0.012 0.000 0.930 1205 R CB 0.417 30.706 30.300 -0.018 0.000 1.218 1205 R HN 0.368 nan 8.270 nan 0.000 0.473 1206 P HA -0.129 nan 4.420 nan 0.000 0.216 1206 P C 0.169 177.456 177.300 -0.022 0.000 1.153 1206 P CA 1.386 64.475 63.100 -0.018 0.000 0.858 1206 P CB 0.324 32.014 31.700 -0.017 0.000 0.789 1207 D N -1.506 118.877 120.400 -0.029 0.000 2.342 1207 D HA 0.048 4.687 4.640 -0.001 0.000 0.221 1207 D C 0.644 176.921 176.300 -0.039 0.000 1.101 1207 D CA 0.264 54.244 54.000 -0.034 0.000 0.837 1207 D CB -0.066 40.709 40.800 -0.041 0.000 0.938 1207 D HN 0.232 nan 8.370 nan 0.000 0.508 1208 S N -1.455 114.225 115.700 -0.034 0.000 2.669 1208 S HA 0.550 5.019 4.470 -0.001 0.000 0.270 1208 S C 1.236 175.822 174.600 -0.023 0.000 1.225 1208 S CA 0.292 58.472 58.200 -0.033 0.000 0.991 1208 S CB 2.183 65.367 63.200 -0.026 0.000 0.987 1208 S HN 0.199 nan 8.310 nan 0.000 0.552 1209 G N -0.433 108.355 108.800 -0.020 0.000 2.205 1209 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.180 1209 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.180 1209 G C -0.193 174.697 174.900 -0.016 0.000 1.004 1209 G CA -0.042 45.049 45.100 -0.014 0.000 0.670 1209 G HN 0.956 nan 8.290 nan 0.000 0.496 1210 E N 0.919 121.106 120.200 -0.021 0.000 2.415 1210 E HA 0.528 4.878 4.350 -0.001 0.000 0.262 1210 E C 1.055 177.643 176.600 -0.020 0.000 1.038 1210 E CA 0.162 56.548 56.400 -0.023 0.000 0.921 1210 E CB 0.570 30.252 29.700 -0.030 0.000 0.950 1210 E HN 0.740 nan 8.360 nan 0.000 0.438 1211 A N 2.987 125.794 122.820 -0.021 0.000 2.445 1211 A HA 0.381 4.700 4.320 -0.001 0.000 0.242 1211 A C -0.198 177.370 177.584 -0.027 0.000 1.075 1211 A CA -0.122 51.903 52.037 -0.020 0.000 0.777 1211 A CB -0.276 18.711 19.000 -0.023 0.000 1.013 1211 A HN 0.778 nan 8.150 nan 0.000 0.493 1212 c N -0.002 118.584 118.600 -0.023 0.000 3.320 1212 c HA 0.706 5.275 4.570 -0.001 0.000 0.335 1212 c C -0.819 173.253 174.090 -0.031 0.000 1.430 1212 c CA -0.941 55.366 56.329 -0.036 0.000 1.271 1212 c CB 1.199 43.700 42.510 -0.015 0.000 1.609 1212 c HN 0.810 nan 8.230 nan 0.000 0.457 1213 D N 0.582 120.941 120.400 -0.067 0.000 2.347 1213 D HA 0.190 4.829 4.640 -0.001 0.000 0.235 1213 D C 0.274 176.668 176.300 0.155 0.000 1.149 1213 D CA 0.486 54.469 54.000 -0.029 0.000 0.850 1213 D CB 1.205 41.846 40.800 -0.265 0.000 1.061 1213 D HN 0.682 nan 8.370 nan 0.000 0.487 1214 Q N 2.762 122.641 119.800 0.131 0.000 2.282 1214 Q HA 0.050 4.390 4.340 -0.001 0.000 0.205 1214 Q C -0.273 175.814 176.000 0.145 0.000 0.915 1214 Q CA -0.030 55.853 55.803 0.133 0.000 0.949 1214 Q CB -0.289 28.492 28.738 0.072 0.000 1.035 1214 Q HN 0.584 nan 8.270 nan 0.000 0.484 1215 N N -0.655 118.181 118.700 0.228 0.000 2.776 1215 N HA -0.201 4.538 4.740 -0.001 0.000 0.250 1215 N C -0.020 175.535 175.510 0.075 0.000 1.112 1215 N CA 0.571 53.700 53.050 0.132 0.000 0.733 1215 N CB -0.407 38.088 38.487 0.012 0.000 1.097 1215 N HN 0.221 nan 8.380 nan 0.000 0.558 1216 R N -0.516 120.034 120.500 0.083 0.000 2.362 1216 R HA 0.370 4.710 4.340 -0.001 0.000 0.227 1216 R C 1.067 177.397 176.300 0.050 0.000 0.905 1216 R CA 0.792 56.922 56.100 0.051 0.000 1.067 1216 R CB 0.571 30.896 30.300 0.041 0.000 1.078 1216 R HN 0.264 nan 8.270 nan 0.000 0.516 1217 A N 0.430 123.295 122.820 0.074 0.000 2.545 1217 A HA 0.476 4.795 4.320 -0.001 0.000 0.263 1217 A C 0.639 178.266 177.584 0.071 0.000 1.202 1217 A CA 0.230 52.306 52.037 0.065 0.000 0.959 1217 A CB 0.576 19.614 19.000 0.063 0.000 1.124 1217 A HN 0.322 nan 8.150 nan 0.000 0.543 1218 G N -0.995 107.848 108.800 0.072 0.000 2.660 1218 G HA2 -0.021 3.939 3.960 -0.001 0.000 0.247 1218 G HA3 -0.021 3.939 3.960 -0.001 0.000 0.247 1218 G C 0.000 174.952 174.900 0.086 0.000 1.328 1218 G CA -0.356 44.776 45.100 0.052 0.000 0.884 1218 G HN 0.585 nan 8.290 nan 0.000 0.531 1219 T N 0.089 114.670 114.554 0.046 0.000 2.813 1219 T HA 0.444 4.793 4.350 -0.001 0.000 0.297 1219 T C 2.084 176.883 174.700 0.165 0.000 1.036 1219 T CA 0.655 62.785 62.100 0.050 0.000 1.044 1219 T CB 0.810 69.680 68.868 0.002 0.000 0.993 1219 T HN 0.911 nan 8.240 nan 0.000 0.535 1220 S N 1.221 117.072 115.700 0.252 0.000 2.374 1220 S HA -0.177 4.292 4.470 -0.001 0.000 0.227 1220 S C 2.090 176.752 174.600 0.104 0.000 1.037 1220 S CA 1.737 60.066 58.200 0.216 0.000 1.024 1220 S CB -0.284 63.041 63.200 0.207 0.000 0.861 1220 S HN 0.868 nan 8.310 nan 0.000 0.456 1221 E N 1.301 121.547 120.200 0.076 0.000 2.107 1221 E HA -0.178 4.171 4.350 -0.001 0.000 0.191 1221 E C 1.890 178.512 176.600 0.037 0.000 0.982 1221 E CA 0.929 57.356 56.400 0.045 0.000 0.809 1221 E CB -0.407 29.312 29.700 0.032 0.000 0.756 1221 E HN 0.554 nan 8.360 nan 0.000 0.459 1222 Q N 0.584 120.407 119.800 0.039 0.000 2.119 1222 Q HA -0.117 4.222 4.340 -0.001 0.000 0.201 1222 Q C 2.295 178.316 176.000 0.034 0.000 0.972 1222 Q CA 1.521 57.342 55.803 0.031 0.000 0.847 1222 Q CB 0.014 28.768 28.738 0.028 0.000 0.903 1222 Q HN 0.415 nan 8.270 nan 0.000 0.433 1223 Q N -0.539 119.291 119.800 0.050 0.000 2.079 1223 Q HA -0.107 4.232 4.340 -0.001 0.000 0.200 1223 Q C 2.137 178.154 176.000 0.029 0.000 0.974 1223 Q CA 1.233 57.062 55.803 0.044 0.000 0.840 1223 Q CB -0.163 28.610 28.738 0.058 0.000 0.898 1223 Q HN 0.477 nan 8.270 nan 0.000 0.430 1224 G N 1.246 110.063 108.800 0.030 0.000 2.403 1224 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.216 1224 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.216 1224 G C 0.952 175.861 174.900 0.015 0.000 1.154 1224 G CA 1.180 46.292 45.100 0.019 0.000 0.784 1224 G HN 0.527 nan 8.290 nan 0.000 0.538 1225 D N 0.394 120.804 120.400 0.016 0.000 2.092 1225 D HA -0.176 4.463 4.640 -0.001 0.000 0.193 1225 D C 2.261 178.567 176.300 0.011 0.000 0.994 1225 D CA 1.250 55.258 54.000 0.012 0.000 0.828 1225 D CB -0.440 40.368 40.800 0.012 0.000 0.963 1225 D HN 0.155 nan 8.370 nan 0.000 0.450 1226 L N 0.523 121.754 121.223 0.013 0.000 2.043 1226 L HA -0.150 4.190 4.340 -0.001 0.000 0.212 1226 L C 2.404 179.279 176.870 0.008 0.000 1.075 1226 L CA 2.188 57.034 54.840 0.011 0.000 0.752 1226 L CB -1.358 40.709 42.059 0.014 0.000 0.891 1226 L HN 0.217 nan 8.230 nan 0.000 0.432 1227 S N -0.813 114.892 115.700 0.009 0.000 2.370 1227 S HA -0.270 4.199 4.470 -0.001 0.000 0.226 1227 S C 2.178 176.781 174.600 0.004 0.000 1.033 1227 S CA 1.716 59.919 58.200 0.006 0.000 1.011 1227 S CB -0.413 62.790 63.200 0.005 0.000 0.852 1227 S HN 0.585 nan 8.310 nan 0.000 0.457 1228 K N 0.321 120.724 120.400 0.005 0.000 2.148 1228 K HA -0.017 4.302 4.320 -0.001 0.000 0.204 1228 K C 2.183 178.785 176.600 0.003 0.000 1.050 1228 K CA 0.913 57.202 56.287 0.004 0.000 0.942 1228 K CB -0.132 32.371 32.500 0.004 0.000 0.724 1228 K HN 0.300 nan 8.250 nan 0.000 0.446 1229 R N -0.088 120.414 120.500 0.004 0.000 2.193 1229 R HA -0.034 4.305 4.340 -0.001 0.000 0.213 1229 R C 2.131 178.433 176.300 0.003 0.000 1.055 1229 R CA 1.601 57.704 56.100 0.004 0.000 0.995 1229 R CB 0.125 30.428 30.300 0.004 0.000 0.893 1229 R HN 0.437 nan 8.270 nan 0.000 0.459 1230 T N -1.986 112.570 114.554 0.003 0.000 3.056 1230 T HA 0.070 4.419 4.350 -0.001 0.000 0.241 1230 T C 1.162 175.863 174.700 0.001 0.000 1.006 1230 T CA 0.406 62.507 62.100 0.002 0.000 1.115 1230 T CB 0.228 69.098 68.868 0.003 0.000 0.939 1230 T HN 0.234 nan 8.240 nan 0.000 0.462 1231 K N 1.371 121.771 120.400 0.001 0.000 3.138 1231 K HA -0.393 3.926 4.320 -0.001 0.000 0.187 1231 K C -0.008 176.592 176.600 -0.000 0.000 0.767 1231 K CA 1.762 58.049 56.287 0.000 0.000 0.521 1231 K CB -1.796 30.704 32.500 0.000 0.000 0.757 1231 K HN 0.495 nan 8.250 nan 0.000 0.792 1232 K N 0.000 120.400 120.400 -0.000 0.000 2.780 1232 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 1232 K CA 0.000 56.286 56.287 -0.001 0.000 0.838 1232 K CB 0.000 32.499 32.500 -0.001 0.000 1.064 1232 K HN 0.000 nan 8.250 nan 0.000 0.543