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 3hbl_1_A DATA FIRST_RESID 36 DATA SEQUENCE QIKKLLVANR GEIAIRIFRA AAELDISTVA IYSNEDKSSL HRYKADESYL DATA SEQUENCE VGSDLGPAES YLNIERIIDV AKQANVDAIH PGYGFLSENE QFARRCAEEG DATA SEQUENCE IKFIGPHLEH LDMFGDKVKA RTTAIKADLP VIPGTDGPIK SYELAKEFAE DATA SEQUENCE EAGFPLMIKA TSXXXXXXXR IVREESELED AFHRAKSEAE XXXXXXEVYI DATA SEQUENCE ERYIDNPKHI EVQVIGDEHG NIVHLFERDC SVQRRHQKVV EVAPSVGLSP DATA SEQUENCE TLRQRICDAA IQLMENIKYV NAGTVEFLVS XGDEFFFIEV NPRVQVEHTI DATA SEQUENCE TEMVTGIDIV KTQILVAAGA DGEEINPQQK DITTLGYAIQ CRITTEDPLN DATA SEQUENCE DFMPDTGTII AYRSSGGFGV RLDAGDGFQG AEISPYYDSL LVKLSTHAIS DATA SEQUENCE FKQAEEKMVR SLREMRIRGV KTNIPFLINV MKNKKFTSGD YTTKFIEETP DATA SEQUENCE ELFDIQPSLD RGTKTLEYIG NVTINGFPXN VEKRPKPDYE LASIPTVSSS DATA SEQUENCE KIFSGTKQLL DEVGPKGVAE WVKKQDDVLL TDTTFRDAHQ SLLATRVRTK DATA SEQUENCE DMINIASKTA DVFKDGFSLE MWGGATFDVA YNFLKENPWE RLERLRKAIP DATA SEQUENCE NVLFQMLLRA SNAVGYKNYP DNVIHKFVQE SAKAGIDVFR IFDSLNWVDQ DATA SEQUENCE MKVANEAVQE AGKISEGTIC YTGDILNPER SIYTLEYYVK LAKELEREGF DATA SEQUENCE HILAIKDMAG LLKPKAAYEL IGELKSAVXD LPIHLHTHDT SGNGLLTYKQ DATA SEQUENCE AIDAGVDIID TAVASMSGLT SQPSANSLYY ALNGFPRHLR TDIEGMESLS DATA SEQUENCE HYWSTVRTYY SDFEXXSDIK SPNTEIYQHE MPGGQYSNLS QQAKSLGLGE DATA SEQUENCE RFDEVKDMYR RVNFLFGDIV KVAPSSKVVG DMALYMVQND LDEQSVITDG DATA SEQUENCE YKLDFPESVV SFFKGEIGQP VNGFNKDLQA VILKGQEALT ARPGEYLEPV DATA SEQUENCE DFEKVRELLE EEQQGPVTEQ DIISYVLYPK VYEQYIQTRN QYGNLSLLDT DATA SEQUENCE PTFFFGMRNG ETVEIEIDKG KRLIIKLETI SEPDENGNRT IYYAMNGQAR DATA SEQUENCE RIYIKDENVH TNANVKPKAD KSNPSHIGAQ MPGSVTEVKV SVGETVKANQ DATA SEQUENCE PLLITEAMKM ETTIQAPFDG VIKQVTVNNG DTIATGDLLI EIE 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 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 176.014 176.000 0.023 0.000 1.003 36 Q CA 0.000 55.817 55.803 0.024 0.000 1.022 36 Q CB 0.000 28.752 28.738 0.023 0.000 1.108 37 I N 2.739 123.325 120.570 0.026 0.000 2.347 37 I HA 0.292 4.469 4.170 0.012 0.000 0.283 37 I C 0.652 176.789 176.117 0.033 0.000 1.058 37 I CA -0.713 60.604 61.300 0.028 0.000 1.202 37 I CB 0.926 38.942 38.000 0.027 0.000 1.386 37 I HN 0.043 nan 8.210 nan 0.000 0.475 38 K N 4.061 124.480 120.400 0.032 0.000 2.021 38 K HA 0.064 4.392 4.320 0.012 0.000 0.205 38 K C 0.750 177.375 176.600 0.042 0.000 1.047 38 K CA 1.029 57.337 56.287 0.033 0.000 0.943 38 K CB 0.140 32.657 32.500 0.029 0.000 0.725 38 K HN 0.380 nan 8.250 nan 0.000 0.439 39 K N 0.598 121.025 120.400 0.046 0.000 2.397 39 K HA 0.362 4.689 4.320 0.012 0.000 0.253 39 K C -1.604 175.040 176.600 0.074 0.000 0.932 39 K CA -0.507 55.815 56.287 0.058 0.000 0.795 39 K CB 1.443 33.976 32.500 0.054 0.000 1.159 39 K HN -0.050 nan 8.250 nan 0.000 0.424 40 L N 5.305 126.587 121.223 0.099 0.000 2.365 40 L HA 0.567 4.914 4.340 0.012 0.000 0.273 40 L C -1.495 175.481 176.870 0.177 0.000 1.000 40 L CA -0.817 54.100 54.840 0.128 0.000 0.819 40 L CB 1.541 43.685 42.059 0.143 0.000 1.284 40 L HN 0.700 nan 8.230 nan 0.000 0.418 41 L N 4.944 126.276 121.223 0.182 0.000 2.329 41 L HA 0.650 4.997 4.340 0.012 0.000 0.279 41 L C -1.173 175.845 176.870 0.246 0.000 1.014 41 L CA -0.662 54.316 54.840 0.230 0.000 0.814 41 L CB 1.970 44.145 42.059 0.192 0.000 1.257 41 L HN 0.386 nan 8.230 nan 0.000 0.424 42 V N 4.653 124.746 119.914 0.298 0.000 2.370 42 V HA 0.417 4.545 4.120 0.012 0.000 0.279 42 V C 0.672 176.863 176.094 0.161 0.000 1.029 42 V CA -0.317 62.073 62.300 0.151 0.000 0.870 42 V CB 1.302 33.065 31.823 -0.101 0.000 0.984 42 V HN 0.876 nan 8.190 nan 0.000 0.451 43 A N 4.827 127.733 122.820 0.144 0.000 3.197 43 A HA 0.525 4.852 4.320 0.012 0.000 0.263 43 A C 0.274 177.870 177.584 0.019 0.000 1.524 43 A CA 0.015 52.128 52.037 0.125 0.000 1.176 43 A CB -0.738 18.374 19.000 0.187 0.000 1.096 43 A HN 0.911 nan 8.150 nan 0.000 0.655 44 N N -0.656 118.017 118.700 -0.045 0.000 3.449 44 N HA 0.639 5.386 4.740 0.012 0.000 0.312 44 N C -0.885 174.352 175.510 -0.455 0.000 1.582 44 N CA -0.834 52.042 53.050 -0.289 0.000 0.850 44 N CB 1.057 39.379 38.487 -0.275 0.000 1.822 44 N HN 0.518 nan 8.380 nan 0.000 0.577 45 R N -0.501 119.570 120.500 -0.716 0.000 2.766 45 R HA 0.758 5.105 4.340 0.012 0.000 0.270 45 R C -0.038 175.831 176.300 -0.718 0.000 1.035 45 R CA -0.397 55.027 56.100 -1.126 0.000 0.911 45 R CB 0.706 30.326 30.300 -1.133 0.000 1.243 45 R HN 0.747 nan 8.270 nan 0.000 0.460 46 G N 1.124 109.562 108.800 -0.603 0.000 2.553 46 G HA2 -0.400 3.567 3.960 0.012 0.000 0.242 46 G HA3 -0.400 3.567 3.960 0.012 0.000 0.242 46 G C 0.610 175.432 174.900 -0.130 0.000 1.277 46 G CA 0.773 45.748 45.100 -0.208 0.000 0.910 46 G HN 1.000 nan 8.290 nan 0.000 0.576 47 E N -0.357 119.814 120.200 -0.048 0.000 2.118 47 E HA -0.046 4.311 4.350 0.012 0.000 0.195 47 E C 2.453 179.014 176.600 -0.064 0.000 0.992 47 E CA 2.267 58.664 56.400 -0.004 0.000 0.804 47 E CB -0.127 29.611 29.700 0.063 0.000 0.741 47 E HN 0.851 nan 8.360 nan 0.000 0.458 48 I N 0.890 121.368 120.570 -0.152 0.000 2.252 48 I HA -0.094 4.083 4.170 0.012 0.000 0.245 48 I C 2.285 178.168 176.117 -0.390 0.000 1.102 48 I CA 1.408 62.557 61.300 -0.252 0.000 1.385 48 I CB -0.728 36.951 38.000 -0.534 0.000 1.064 48 I HN 0.241 nan 8.210 nan 0.000 0.414 49 A N 0.811 123.349 122.820 -0.470 0.000 1.865 49 A HA -0.221 4.106 4.320 0.012 0.000 0.217 49 A C 2.359 179.442 177.584 -0.836 0.000 1.191 49 A CA 2.276 53.881 52.037 -0.719 0.000 0.623 49 A CB -1.144 17.525 19.000 -0.552 0.000 0.826 49 A HN 0.498 nan 8.150 nan 0.000 0.444 50 I N -0.987 119.405 120.570 -0.296 0.000 2.118 50 I HA -0.334 3.843 4.170 0.012 0.000 0.241 50 I C 2.723 178.807 176.117 -0.056 0.000 1.070 50 I CA 2.093 63.381 61.300 -0.021 0.000 1.327 50 I CB -0.382 37.660 38.000 0.070 0.000 1.034 50 I HN 0.369 nan 8.210 nan 0.000 0.405 51 R N 1.605 122.049 120.500 -0.093 0.000 2.096 51 R HA -0.171 4.177 4.340 0.012 0.000 0.240 51 R C 2.049 178.300 176.300 -0.082 0.000 1.139 51 R CA 1.844 57.920 56.100 -0.040 0.000 0.952 51 R CB -0.700 29.602 30.300 0.003 0.000 0.854 51 R HN 0.356 nan 8.270 nan 0.000 0.436 52 I N -0.399 120.024 120.570 -0.245 0.000 2.226 52 I HA -0.254 3.923 4.170 0.012 0.000 0.245 52 I C 1.970 178.059 176.117 -0.046 0.000 1.100 52 I CA 1.437 62.591 61.300 -0.242 0.000 1.374 52 I CB -0.358 37.351 38.000 -0.485 0.000 1.057 52 I HN 0.140 nan 8.210 nan 0.000 0.413 53 F N 0.706 120.651 119.950 -0.007 0.000 2.126 53 F HA -0.256 4.279 4.527 0.012 0.000 0.299 53 F C 2.805 178.619 175.800 0.024 0.000 1.096 53 F CA 0.727 58.737 58.000 0.017 0.000 1.255 53 F CB -0.346 38.669 39.000 0.025 0.000 0.997 53 F HN -0.094 nan 8.300 nan 0.000 0.479 54 R N 0.648 121.271 120.500 0.206 0.000 2.094 54 R HA -0.182 4.166 4.340 0.012 0.000 0.239 54 R C 2.415 178.776 176.300 0.102 0.000 1.137 54 R CA 1.584 57.761 56.100 0.128 0.000 0.943 54 R CB -1.065 29.293 30.300 0.097 0.000 0.850 54 R HN 0.279 nan 8.270 nan 0.000 0.433 55 A N 0.239 123.110 122.820 0.084 0.000 1.883 55 A HA -0.131 4.196 4.320 0.012 0.000 0.217 55 A C 2.303 179.937 177.584 0.083 0.000 1.186 55 A CA 1.920 54.000 52.037 0.072 0.000 0.624 55 A CB -1.002 18.031 19.000 0.054 0.000 0.822 55 A HN 0.420 nan 8.150 nan 0.000 0.444 56 A N -0.463 122.421 122.820 0.107 0.000 1.969 56 A HA 0.247 4.575 4.320 0.012 0.000 0.218 56 A C 2.424 180.063 177.584 0.092 0.000 1.169 56 A CA 1.791 53.893 52.037 0.109 0.000 0.635 56 A CB -0.812 18.276 19.000 0.148 0.000 0.810 56 A HN 1.021 nan 8.150 nan 0.000 0.445 57 A N -0.147 122.731 122.820 0.096 0.000 1.930 57 A HA -0.121 4.207 4.320 0.012 0.000 0.217 57 A C 1.859 179.478 177.584 0.058 0.000 1.175 57 A CA 1.572 53.652 52.037 0.071 0.000 0.627 57 A CB -0.422 18.621 19.000 0.072 0.000 0.815 57 A HN 0.601 nan 8.150 nan 0.000 0.443 58 E N -0.289 119.947 120.200 0.061 0.000 2.153 58 E HA -0.064 4.294 4.350 0.012 0.000 0.194 58 E C 1.188 177.816 176.600 0.047 0.000 0.988 58 E CA 0.806 57.237 56.400 0.052 0.000 0.811 58 E CB -0.167 29.566 29.700 0.054 0.000 0.746 58 E HN 0.607 nan 8.360 nan 0.000 0.466 59 L N 0.372 121.626 121.223 0.051 0.000 2.627 59 L HA 0.064 4.411 4.340 0.012 0.000 0.232 59 L C -0.093 176.802 176.870 0.043 0.000 1.150 59 L CA -0.051 54.817 54.840 0.046 0.000 0.917 59 L CB 0.077 42.165 42.059 0.048 0.000 1.104 59 L HN 0.063 nan 8.230 nan 0.000 0.445 60 D N -0.374 120.052 120.400 0.043 0.000 3.046 60 D HA -0.196 4.451 4.640 0.012 0.000 0.210 60 D C 0.144 176.468 176.300 0.039 0.000 1.124 60 D CA 0.972 54.994 54.000 0.037 0.000 0.986 60 D CB -0.878 39.941 40.800 0.031 0.000 1.118 60 D HN 0.255 nan 8.370 nan 0.000 0.416 61 I N 0.901 121.500 120.570 0.049 0.000 2.416 61 I HA 0.098 4.276 4.170 0.012 0.000 0.288 61 I C 0.998 177.149 176.117 0.057 0.000 1.051 61 I CA -0.317 61.016 61.300 0.054 0.000 1.375 61 I CB 1.336 39.375 38.000 0.065 0.000 1.407 61 I HN 0.017 nan 8.210 nan 0.000 0.516 62 S N 5.203 120.931 115.700 0.046 0.000 2.560 62 S HA 0.221 4.698 4.470 0.012 0.000 0.284 62 S C 0.121 174.751 174.600 0.050 0.000 1.327 62 S CA -0.486 57.736 58.200 0.035 0.000 1.055 62 S CB 0.421 63.639 63.200 0.029 0.000 0.868 62 S HN 0.726 nan 8.310 nan 0.000 0.506 63 T N 0.969 115.530 114.554 0.011 0.000 2.912 63 T HA 0.728 5.085 4.350 0.012 0.000 0.288 63 T C -0.728 173.928 174.700 -0.072 0.000 1.030 63 T CA -0.828 61.275 62.100 0.004 0.000 1.020 63 T CB 1.368 70.202 68.868 -0.057 0.000 1.056 63 T HN 0.540 nan 8.240 nan 0.000 0.480 64 V N 1.134 121.061 119.914 0.022 0.000 2.623 64 V HA 0.775 4.902 4.120 0.012 0.000 0.304 64 V C 0.031 176.218 176.094 0.156 0.000 1.054 64 V CA -1.015 61.321 62.300 0.061 0.000 0.882 64 V CB 1.410 33.349 31.823 0.192 0.000 1.002 64 V HN 1.363 nan 8.190 nan 0.000 0.424 65 A N 5.565 128.431 122.820 0.077 0.000 2.325 65 A HA 0.980 5.307 4.320 0.012 0.000 0.333 65 A C -0.511 177.256 177.584 0.306 0.000 1.155 65 A CA -0.617 51.615 52.037 0.325 0.000 0.814 65 A CB 1.057 20.184 19.000 0.212 0.000 1.206 65 A HN 1.015 nan 8.150 nan 0.000 0.482 66 I N -0.670 120.116 120.570 0.361 0.000 2.562 66 I HA 0.880 5.057 4.170 0.012 0.000 0.301 66 I C -0.807 175.515 176.117 0.342 0.000 1.003 66 I CA -1.006 60.429 61.300 0.225 0.000 1.127 66 I CB 1.733 39.776 38.000 0.072 0.000 1.304 66 I HN 0.723 nan 8.210 nan 0.000 0.446 67 Y N 1.826 122.114 120.300 -0.020 0.000 2.571 67 Y HA 0.772 5.330 4.550 0.012 0.000 0.341 67 Y C -0.318 175.469 175.900 -0.188 0.000 1.076 67 Y CA -1.128 56.963 58.100 -0.015 0.000 1.029 67 Y CB 0.662 39.099 38.460 -0.038 0.000 1.308 67 Y HN 0.789 nan 8.280 nan 0.000 0.461 68 S N 0.682 116.354 115.700 -0.047 0.000 2.681 68 S HA 0.228 4.705 4.470 0.012 0.000 0.270 68 S C 0.549 175.221 174.600 0.120 0.000 1.209 68 S CA -0.174 57.989 58.200 -0.062 0.000 0.988 68 S CB 0.697 63.946 63.200 0.080 0.000 1.006 68 S HN 0.853 nan 8.310 nan 0.000 0.558 69 N N 0.914 119.648 118.700 0.057 0.000 2.166 69 N HA -0.161 4.587 4.740 0.012 0.000 0.186 69 N C 0.966 176.553 175.510 0.129 0.000 1.019 69 N CA 1.297 54.400 53.050 0.088 0.000 0.856 69 N CB -0.744 37.755 38.487 0.020 0.000 0.993 69 N HN 0.814 nan 8.380 nan 0.000 0.426 70 E N -0.270 120.015 120.200 0.142 0.000 2.502 70 E HA -0.014 4.344 4.350 0.012 0.000 0.194 70 E C -0.048 176.707 176.600 0.258 0.000 1.062 70 E CA 0.155 56.659 56.400 0.175 0.000 0.867 70 E CB 0.122 29.906 29.700 0.140 0.000 0.888 70 E HN 0.310 nan 8.360 nan 0.000 0.510 71 D N -0.010 120.557 120.400 0.279 0.000 2.431 71 D HA 0.017 4.665 4.640 0.012 0.000 0.213 71 D C 1.190 177.567 176.300 0.128 0.000 1.130 71 D CA 0.044 54.201 54.000 0.262 0.000 0.834 71 D CB 0.277 41.298 40.800 0.369 0.000 0.985 71 D HN -0.025 nan 8.370 nan 0.000 0.504 72 K N 0.231 120.711 120.400 0.133 0.000 2.362 72 K HA -0.055 4.272 4.320 0.012 0.000 0.202 72 K C -0.078 176.448 176.600 -0.123 0.000 1.045 72 K CA 0.834 57.113 56.287 -0.014 0.000 0.936 72 K CB 0.192 32.746 32.500 0.091 0.000 0.747 72 K HN -0.132 nan 8.250 nan 0.000 0.467 73 S N 0.277 115.983 115.700 0.011 0.000 2.128 73 S HA 0.125 4.602 4.470 0.012 0.000 0.157 73 S C -1.113 173.576 174.600 0.149 0.000 1.650 73 S CA -0.692 57.566 58.200 0.096 0.000 1.269 73 S CB 1.373 64.689 63.200 0.192 0.000 1.227 73 S HN 0.163 nan 8.310 nan 0.000 0.405 74 S N 1.742 117.417 115.700 -0.042 0.000 2.557 74 S HA 0.510 4.988 4.470 0.012 0.000 0.291 74 S C 1.039 175.522 174.600 -0.195 0.000 1.116 74 S CA -0.845 57.364 58.200 0.015 0.000 0.992 74 S CB 0.566 63.873 63.200 0.178 0.000 1.028 74 S HN 0.440 nan 8.310 nan 0.000 0.484 75 L N 4.272 125.357 121.223 -0.229 0.000 2.034 75 L HA -0.239 4.108 4.340 0.012 0.000 0.217 75 L C 2.806 179.636 176.870 -0.067 0.000 1.077 75 L CA 2.223 56.971 54.840 -0.153 0.000 0.769 75 L CB -1.225 40.722 42.059 -0.188 0.000 0.890 75 L HN 0.905 nan 8.230 nan 0.000 0.435 76 H N 1.016 120.059 119.070 -0.045 0.000 2.390 76 H HA -0.258 4.305 4.556 0.012 0.000 0.298 76 H C 2.202 177.552 175.328 0.037 0.000 1.106 76 H CA 1.946 58.042 56.048 0.080 0.000 1.297 76 H CB -0.580 29.233 29.762 0.086 0.000 1.375 76 H HN 0.368 nan 8.280 nan 0.000 0.509 77 R N 0.526 120.431 120.500 -0.991 0.000 2.154 77 R HA -0.197 4.150 4.340 0.012 0.000 0.248 77 R C 1.187 177.074 176.300 -0.688 0.000 1.155 77 R CA 1.988 57.515 56.100 -0.956 0.000 0.979 77 R CB -0.327 29.159 30.300 -1.356 0.000 0.869 77 R HN 0.477 nan 8.270 nan 0.000 0.452 78 Y N -1.099 119.030 120.300 -0.284 0.000 2.457 78 Y HA 0.187 4.744 4.550 0.012 0.000 0.263 78 Y C 1.698 177.494 175.900 -0.173 0.000 1.164 78 Y CA -0.294 57.672 58.100 -0.223 0.000 1.274 78 Y CB 0.668 39.007 38.460 -0.202 0.000 1.097 78 Y HN -0.135 nan 8.280 nan 0.000 0.523 79 K N 0.211 120.581 120.400 -0.050 0.000 2.354 79 K HA 0.332 4.660 4.320 0.012 0.000 0.194 79 K C 0.729 177.163 176.600 -0.277 0.000 1.045 79 K CA 0.190 56.459 56.287 -0.030 0.000 1.026 79 K CB 0.394 32.999 32.500 0.175 0.000 0.866 79 K HN 0.137 nan 8.250 nan 0.000 0.530 80 A N 1.330 123.768 122.820 -0.637 0.000 2.271 80 A HA 0.172 4.499 4.320 0.012 0.000 0.288 80 A C 0.677 178.033 177.584 -0.381 0.000 1.094 80 A CA -0.320 51.203 52.037 -0.856 0.000 0.828 80 A CB 0.451 18.724 19.000 -1.211 0.000 1.091 80 A HN 0.061 nan 8.150 nan 0.000 0.493 81 D N 0.009 120.244 120.400 -0.276 0.000 2.144 81 D HA -0.038 4.609 4.640 0.012 0.000 0.200 81 D C 0.223 176.433 176.300 -0.149 0.000 0.978 81 D CA 1.344 55.254 54.000 -0.151 0.000 0.833 81 D CB 0.371 41.118 40.800 -0.088 0.000 0.961 81 D HN 0.697 nan 8.370 nan 0.000 0.470 82 E N -0.432 119.662 120.200 -0.176 0.000 2.378 82 E HA 0.475 4.832 4.350 0.012 0.000 0.265 82 E C -0.789 175.648 176.600 -0.272 0.000 0.932 82 E CA -0.751 55.522 56.400 -0.212 0.000 0.795 82 E CB 2.439 32.072 29.700 -0.112 0.000 1.296 82 E HN -0.059 nan 8.360 nan 0.000 0.438 83 S N 0.239 115.673 115.700 -0.444 0.000 2.537 83 S HA 0.630 5.107 4.470 0.012 0.000 0.270 83 S C -1.595 172.703 174.600 -0.503 0.000 1.142 83 S CA -0.886 57.152 58.200 -0.270 0.000 0.870 83 S CB 0.699 63.816 63.200 -0.139 0.000 1.112 83 S HN 0.480 nan 8.310 nan 0.000 0.466 84 Y N 0.598 120.960 120.300 0.103 0.000 2.470 84 Y HA 0.556 5.113 4.550 0.012 0.000 0.341 84 Y C -0.481 175.060 175.900 -0.598 0.000 1.021 84 Y CA -1.126 56.907 58.100 -0.111 0.000 1.025 84 Y CB 1.457 39.860 38.460 -0.095 0.000 1.266 84 Y HN 0.782 nan 8.280 nan 0.000 0.448 85 L N 3.218 124.035 121.223 -0.676 0.000 2.462 85 L HA 0.168 4.516 4.340 0.012 0.000 0.272 85 L C 0.387 177.010 176.870 -0.413 0.000 1.166 85 L CA 0.401 54.710 54.840 -0.885 0.000 0.880 85 L CB 0.716 42.469 42.059 -0.510 0.000 1.142 85 L HN 0.733 nan 8.230 nan 0.000 0.473 86 V N 4.302 123.969 119.914 -0.413 0.000 2.270 86 V HA 0.180 4.308 4.120 0.012 0.000 0.245 86 V C 1.173 177.148 176.094 -0.197 0.000 1.043 86 V CA 1.335 63.471 62.300 -0.274 0.000 1.014 86 V CB -1.228 30.399 31.823 -0.327 0.000 0.645 86 V HN 1.074 nan 8.190 nan 0.000 0.447 87 G N -0.717 107.968 108.800 -0.192 0.000 2.219 87 G HA2 0.277 4.245 3.960 0.012 0.000 0.304 87 G HA3 0.277 4.245 3.960 0.012 0.000 0.304 87 G C -0.010 174.824 174.900 -0.110 0.000 1.712 87 G CA 0.074 45.097 45.100 -0.129 0.000 0.905 87 G HN 0.292 nan 8.290 nan 0.000 0.706 88 S N 0.157 115.806 115.700 -0.085 0.000 2.786 88 S HA 0.103 4.581 4.470 0.012 0.000 0.223 88 S C 0.671 175.238 174.600 -0.054 0.000 0.956 88 S CA 0.692 58.853 58.200 -0.065 0.000 0.961 88 S CB 0.207 63.379 63.200 -0.047 0.000 0.784 88 S HN 0.507 nan 8.310 nan 0.000 0.519 89 D N 0.497 120.863 120.400 -0.057 0.000 2.271 89 D HA 0.196 4.843 4.640 0.012 0.000 0.206 89 D C -0.048 176.223 176.300 -0.047 0.000 0.967 89 D CA 0.416 54.388 54.000 -0.046 0.000 0.867 89 D CB 0.189 40.963 40.800 -0.043 0.000 0.960 89 D HN 0.354 nan 8.370 nan 0.000 0.509 90 L N 0.211 121.399 121.223 -0.058 0.000 2.342 90 L HA 0.447 4.794 4.340 0.012 0.000 0.271 90 L C 0.852 177.685 176.870 -0.063 0.000 1.008 90 L CA -0.745 54.063 54.840 -0.054 0.000 0.818 90 L CB 1.765 43.793 42.059 -0.052 0.000 1.296 90 L HN -0.165 nan 8.230 nan 0.000 0.427 91 G N 1.776 110.540 108.800 -0.059 0.000 2.614 91 G HA2 0.269 4.236 3.960 0.012 0.000 0.239 91 G HA3 0.269 4.236 3.960 0.012 0.000 0.239 91 G C -1.929 172.924 174.900 -0.078 0.000 1.240 91 G CA -0.661 44.385 45.100 -0.091 0.000 0.842 91 G HN 0.601 nan 8.290 nan 0.000 0.584 92 P HA -0.184 nan 4.420 nan 0.000 0.216 92 P C 2.107 179.474 177.300 0.111 0.000 1.150 92 P CA 2.168 65.258 63.100 -0.017 0.000 0.843 92 P CB 0.158 31.730 31.700 -0.213 0.000 0.787 93 A N -0.303 122.517 122.820 -0.000 0.000 1.877 93 A HA -0.221 4.107 4.320 0.012 0.000 0.216 93 A C 2.213 179.920 177.584 0.206 0.000 1.186 93 A CA 1.923 54.036 52.037 0.127 0.000 0.620 93 A CB -1.237 17.831 19.000 0.113 0.000 0.822 93 A HN 0.130 nan 8.150 nan 0.000 0.443 94 E N -0.708 119.555 120.200 0.104 0.000 2.489 94 E HA 0.074 4.431 4.350 0.012 0.000 0.193 94 E C 1.781 178.391 176.600 0.016 0.000 1.057 94 E CA 0.616 57.058 56.400 0.071 0.000 0.866 94 E CB -0.085 29.633 29.700 0.031 0.000 0.916 94 E HN 0.439 nan 8.360 nan 0.000 0.500 95 S N -1.155 114.542 115.700 -0.004 0.000 2.481 95 S HA -0.069 4.408 4.470 0.012 0.000 0.231 95 S C 0.717 175.110 174.600 -0.346 0.000 0.996 95 S CA 0.623 58.720 58.200 -0.172 0.000 0.942 95 S CB -0.054 63.017 63.200 -0.215 0.000 0.768 95 S HN 0.427 nan 8.310 nan 0.000 0.520 96 Y N -0.338 119.881 120.300 -0.134 0.000 2.467 96 Y HA 0.418 4.975 4.550 0.012 0.000 0.250 96 Y C 1.133 176.878 175.900 -0.259 0.000 1.155 96 Y CA -0.143 57.765 58.100 -0.321 0.000 1.249 96 Y CB 0.489 38.507 38.460 -0.737 0.000 1.146 96 Y HN 0.201 nan 8.280 nan 0.000 0.524 97 L N -0.539 120.686 121.223 0.003 0.000 2.609 97 L HA 0.109 4.456 4.340 0.012 0.000 0.230 97 L C 0.836 177.672 176.870 -0.057 0.000 1.087 97 L CA 0.352 55.200 54.840 0.014 0.000 0.874 97 L CB 0.027 42.151 42.059 0.110 0.000 1.114 97 L HN 0.111 nan 8.230 nan 0.000 0.488 98 N N 1.331 119.990 118.700 -0.070 0.000 2.410 98 N HA -0.027 4.721 4.740 0.012 0.000 0.281 98 N C 1.247 176.710 175.510 -0.079 0.000 1.241 98 N CA 0.038 53.050 53.050 -0.062 0.000 0.998 98 N CB 0.383 38.832 38.487 -0.064 0.000 1.376 98 N HN 0.259 nan 8.380 nan 0.000 0.490 99 I N 2.307 122.845 120.570 -0.053 0.000 2.151 99 I HA -0.308 3.870 4.170 0.012 0.000 0.243 99 I C 2.134 178.312 176.117 0.102 0.000 1.080 99 I CA 1.142 62.445 61.300 0.005 0.000 1.339 99 I CB -0.045 38.030 38.000 0.125 0.000 1.039 99 I HN 0.464 nan 8.210 nan 0.000 0.409 100 E N 0.511 120.749 120.200 0.063 0.000 2.031 100 E HA -0.205 4.152 4.350 0.012 0.000 0.193 100 E C 2.276 178.899 176.600 0.038 0.000 0.994 100 E CA 1.197 57.632 56.400 0.059 0.000 0.800 100 E CB -0.369 29.350 29.700 0.030 0.000 0.752 100 E HN 0.402 nan 8.360 nan 0.000 0.447 101 R N 0.281 120.781 120.500 0.000 0.000 2.235 101 R HA 0.055 4.402 4.340 0.012 0.000 0.213 101 R C 2.370 178.653 176.300 -0.027 0.000 1.059 101 R CA 0.221 56.305 56.100 -0.026 0.000 0.997 101 R CB -0.056 30.212 30.300 -0.053 0.000 0.884 101 R HN 0.141 nan 8.270 nan 0.000 0.462 102 I N 0.451 121.019 120.570 -0.003 0.000 2.252 102 I HA -0.275 3.903 4.170 0.012 0.000 0.245 102 I C 1.907 178.084 176.117 0.100 0.000 1.102 102 I CA 0.779 62.097 61.300 0.029 0.000 1.385 102 I CB -0.139 37.874 38.000 0.022 0.000 1.064 102 I HN 0.125 nan 8.210 nan 0.000 0.414 103 I N 0.752 121.416 120.570 0.156 0.000 2.163 103 I HA -0.301 3.876 4.170 0.012 0.000 0.243 103 I C 2.177 178.315 176.117 0.035 0.000 1.085 103 I CA 1.702 63.075 61.300 0.121 0.000 1.347 103 I CB -1.327 36.744 38.000 0.119 0.000 1.044 103 I HN 0.289 nan 8.210 nan 0.000 0.408 104 D N 0.791 121.196 120.400 0.007 0.000 2.133 104 D HA -0.145 4.502 4.640 0.012 0.000 0.195 104 D C 2.405 178.657 176.300 -0.081 0.000 0.997 104 D CA 1.089 55.069 54.000 -0.035 0.000 0.840 104 D CB -0.150 40.625 40.800 -0.042 0.000 0.947 104 D HN 0.171 nan 8.370 nan 0.000 0.452 105 V N 1.305 121.159 119.914 -0.099 0.000 2.358 105 V HA -0.195 3.932 4.120 0.012 0.000 0.246 105 V C 2.542 178.528 176.094 -0.179 0.000 1.047 105 V CA 1.672 63.850 62.300 -0.202 0.000 1.035 105 V CB -0.701 31.013 31.823 -0.181 0.000 0.658 105 V HN 0.177 nan 8.190 nan 0.000 0.452 106 A N -0.382 122.404 122.820 -0.056 0.000 1.902 106 A HA -0.236 4.091 4.320 0.012 0.000 0.217 106 A C 2.302 179.869 177.584 -0.028 0.000 1.181 106 A CA 1.953 53.984 52.037 -0.009 0.000 0.623 106 A CB -0.417 18.615 19.000 0.053 0.000 0.818 106 A HN 0.522 nan 8.150 nan 0.000 0.443 107 K N -1.014 119.366 120.400 -0.033 0.000 2.002 107 K HA -0.159 4.169 4.320 0.012 0.000 0.209 107 K C 2.300 178.867 176.600 -0.054 0.000 1.048 107 K CA 1.364 57.631 56.287 -0.033 0.000 0.930 107 K CB -0.203 32.281 32.500 -0.028 0.000 0.714 107 K HN 0.343 nan 8.250 nan 0.000 0.438 108 Q N 0.039 119.783 119.800 -0.093 0.000 2.368 108 Q HA -0.085 4.263 4.340 0.012 0.000 0.210 108 Q C 1.333 177.261 176.000 -0.121 0.000 0.982 108 Q CA 1.195 56.929 55.803 -0.115 0.000 0.884 108 Q CB 0.133 28.770 28.738 -0.168 0.000 0.933 108 Q HN 0.315 nan 8.270 nan 0.000 0.460 109 A N 0.036 122.781 122.820 -0.124 0.000 2.348 109 A HA 0.102 4.429 4.320 0.012 0.000 0.224 109 A C 0.059 177.645 177.584 0.003 0.000 1.227 109 A CA -0.154 51.849 52.037 -0.057 0.000 0.885 109 A CB 0.109 19.078 19.000 -0.052 0.000 0.933 109 A HN 0.471 nan 8.150 nan 0.000 0.506 110 N N -0.163 118.532 118.700 -0.007 0.000 2.708 110 N HA -0.119 4.628 4.740 0.012 0.000 0.255 110 N C -0.630 174.894 175.510 0.023 0.000 1.046 110 N CA 0.697 53.752 53.050 0.008 0.000 0.715 110 N CB -1.246 37.249 38.487 0.013 0.000 0.895 110 N HN 0.210 nan 8.380 nan 0.000 0.545 111 V N 0.864 120.793 119.914 0.024 0.000 2.439 111 V HA 0.127 4.255 4.120 0.012 0.000 0.282 111 V C 1.384 177.497 176.094 0.032 0.000 1.039 111 V CA -0.303 62.021 62.300 0.041 0.000 0.913 111 V CB 1.839 33.696 31.823 0.057 0.000 0.983 111 V HN 0.268 nan 8.190 nan 0.000 0.460 112 D N 3.041 123.462 120.400 0.036 0.000 2.240 112 D HA 0.196 4.843 4.640 0.012 0.000 0.206 112 D C 0.533 176.848 176.300 0.025 0.000 0.963 112 D CA 1.066 55.082 54.000 0.027 0.000 0.863 112 D CB 0.872 41.688 40.800 0.027 0.000 0.973 112 D HN 0.626 nan 8.370 nan 0.000 0.501 113 A N 0.587 123.428 122.820 0.035 0.000 2.488 113 A HA 0.589 4.917 4.320 0.012 0.000 0.298 113 A C -1.195 176.416 177.584 0.045 0.000 1.044 113 A CA -0.551 51.499 52.037 0.022 0.000 0.693 113 A CB 1.476 20.480 19.000 0.007 0.000 1.272 113 A HN 0.005 nan 8.150 nan 0.000 0.402 114 I N 2.759 123.343 120.570 0.023 0.000 2.378 114 I HA 0.288 4.465 4.170 0.012 0.000 0.291 114 I C -0.531 175.579 176.117 -0.011 0.000 0.992 114 I CA -0.570 60.775 61.300 0.075 0.000 1.154 114 I CB 1.550 39.637 38.000 0.145 0.000 1.315 114 I HN 0.715 nan 8.210 nan 0.000 0.448 115 H N 8.927 127.972 119.070 -0.041 0.000 2.597 115 H HA 0.317 4.880 4.556 0.012 0.000 0.303 115 H C -2.032 173.265 175.328 -0.052 0.000 1.057 115 H CA -2.430 53.547 56.048 -0.118 0.000 1.261 115 H CB 1.718 31.421 29.762 -0.099 0.000 1.397 115 H HN 0.327 nan 8.280 nan 0.000 0.461 116 P HA 0.085 nan 4.420 nan 0.000 0.245 116 P C 0.847 178.257 177.300 0.182 0.000 1.206 116 P CA 1.024 64.282 63.100 0.264 0.000 0.781 116 P CB 0.741 32.657 31.700 0.361 0.000 0.994 117 G N 0.983 109.903 108.800 0.199 0.000 2.550 117 G HA2 -0.247 3.720 3.960 0.012 0.000 0.277 117 G HA3 -0.247 3.720 3.960 0.012 0.000 0.277 117 G C -0.655 174.289 174.900 0.074 0.000 1.190 117 G CA 0.419 45.476 45.100 -0.072 0.000 0.971 117 G HN 0.460 nan 8.290 nan 0.000 0.559 118 Y N -1.777 118.570 120.300 0.078 0.000 2.536 118 Y HA 0.606 5.163 4.550 0.012 0.000 0.347 118 Y C 1.041 176.957 175.900 0.027 0.000 1.000 118 Y CA -1.177 56.964 58.100 0.069 0.000 1.051 118 Y CB 1.404 39.889 38.460 0.041 0.000 1.259 118 Y HN 2.438 nan 8.280 nan 0.000 0.468 119 G N 0.313 109.257 108.800 0.240 0.000 2.179 119 G HA2 -0.313 3.655 3.960 0.012 0.000 0.257 119 G HA3 -0.313 3.655 3.960 0.012 0.000 0.257 119 G C -0.436 174.277 174.900 -0.311 0.000 1.010 119 G CA 1.180 46.274 45.100 -0.009 0.000 0.736 119 G HN 0.668 nan 8.290 nan 0.000 0.513 120 F N -1.731 118.273 119.950 0.090 0.000 1.939 120 F HA 0.449 4.983 4.527 0.012 0.000 0.225 120 F C 1.971 177.814 175.800 0.072 0.000 1.213 120 F CA 0.530 58.564 58.000 0.057 0.000 1.303 120 F CB -0.184 38.818 39.000 0.003 0.000 1.808 120 F HN 0.007 nan 8.300 nan 0.000 0.329 121 L N -0.193 121.220 121.223 0.316 0.000 2.766 121 L HA 0.159 4.506 4.340 0.012 0.000 0.242 121 L C 1.681 178.799 176.870 0.415 0.000 1.136 121 L CA 0.200 55.192 54.840 0.253 0.000 0.933 121 L CB -0.122 41.924 42.059 -0.022 0.000 1.241 121 L HN 0.135 nan 8.230 nan 0.000 0.522 122 S N 0.643 116.567 115.700 0.374 0.000 2.400 122 S HA -0.249 4.228 4.470 0.012 0.000 0.234 122 S C 1.426 176.281 174.600 0.425 0.000 1.049 122 S CA 1.717 60.153 58.200 0.394 0.000 1.039 122 S CB -0.192 63.182 63.200 0.290 0.000 0.856 122 S HN 0.565 nan 8.310 nan 0.000 0.465 123 E N 0.317 120.705 120.200 0.314 0.000 2.526 123 E HA 0.159 4.516 4.350 0.012 0.000 0.208 123 E C 0.008 176.728 176.600 0.200 0.000 0.997 123 E CA -0.350 56.203 56.400 0.257 0.000 0.961 123 E CB 0.131 29.953 29.700 0.204 0.000 1.030 123 E HN 0.291 nan 8.360 nan 0.000 0.483 124 N N 2.036 120.863 118.700 0.212 0.000 2.416 124 N HA -0.037 4.710 4.740 0.012 0.000 0.265 124 N C 0.354 175.914 175.510 0.082 0.000 1.195 124 N CA 0.309 53.454 53.050 0.157 0.000 0.943 124 N CB 0.985 39.585 38.487 0.188 0.000 1.115 124 N HN 0.050 nan 8.380 nan 0.000 0.481 125 E N 2.521 122.744 120.200 0.037 0.000 2.038 125 E HA -0.205 4.152 4.350 0.012 0.000 0.195 125 E C 1.551 178.125 176.600 -0.044 0.000 1.000 125 E CA 1.309 57.687 56.400 -0.036 0.000 0.803 125 E CB 0.032 29.724 29.700 -0.014 0.000 0.750 125 E HN 0.616 nan 8.360 nan 0.000 0.448 126 Q N -0.387 119.428 119.800 0.025 0.000 2.173 126 Q HA -0.205 4.142 4.340 0.012 0.000 0.208 126 Q C 2.138 178.192 176.000 0.090 0.000 0.989 126 Q CA 1.218 57.049 55.803 0.046 0.000 0.872 126 Q CB -0.354 28.427 28.738 0.072 0.000 0.909 126 Q HN 0.316 nan 8.270 nan 0.000 0.420 127 F N 0.656 120.575 119.950 -0.051 0.000 2.163 127 F HA -0.004 4.531 4.527 0.012 0.000 0.297 127 F C 2.139 177.870 175.800 -0.115 0.000 1.094 127 F CA 1.104 59.088 58.000 -0.027 0.000 1.290 127 F CB -0.467 38.570 39.000 0.060 0.000 1.017 127 F HN 0.004 nan 8.300 nan 0.000 0.483 128 A N 0.128 122.669 122.820 -0.466 0.000 2.067 128 A HA -0.118 4.210 4.320 0.012 0.000 0.219 128 A C 2.354 179.685 177.584 -0.422 0.000 1.158 128 A CA 1.340 52.852 52.037 -0.874 0.000 0.661 128 A CB -0.768 17.340 19.000 -1.486 0.000 0.801 128 A HN 0.451 nan 8.150 nan 0.000 0.452 129 R N -0.879 119.470 120.500 -0.252 0.000 2.075 129 R HA -0.021 4.326 4.340 0.012 0.000 0.226 129 R C 2.148 178.378 176.300 -0.116 0.000 1.114 129 R CA 0.684 56.695 56.100 -0.148 0.000 0.972 129 R CB -0.116 30.128 30.300 -0.092 0.000 0.869 129 R HN 0.280 nan 8.270 nan 0.000 0.437 130 R N 0.188 120.626 120.500 -0.103 0.000 2.090 130 R HA -0.064 4.283 4.340 0.012 0.000 0.228 130 R C 2.312 178.552 176.300 -0.099 0.000 1.110 130 R CA 1.084 57.147 56.100 -0.062 0.000 0.973 130 R CB -1.023 29.286 30.300 0.015 0.000 0.869 130 R HN 0.338 nan 8.270 nan 0.000 0.440 131 C N 0.641 119.818 119.300 -0.205 0.000 2.388 131 C HA -0.138 4.329 4.460 0.012 0.000 0.277 131 C C 2.934 177.872 174.990 -0.088 0.000 1.210 131 C CA 1.114 60.024 59.018 -0.180 0.000 1.743 131 C CB -1.206 26.394 27.740 -0.234 0.000 2.047 131 C HN 0.564 nan 8.230 nan 0.000 0.458 132 A N 0.188 122.957 122.820 -0.085 0.000 1.948 132 A HA -0.249 4.078 4.320 0.012 0.000 0.220 132 A C 1.967 179.524 177.584 -0.045 0.000 1.177 132 A CA 1.953 53.959 52.037 -0.052 0.000 0.636 132 A CB -0.666 18.297 19.000 -0.061 0.000 0.815 132 A HN 0.761 nan 8.150 nan 0.000 0.449 133 E N -0.385 119.784 120.200 -0.051 0.000 2.268 133 E HA -0.119 4.238 4.350 0.012 0.000 0.195 133 E C 0.611 177.195 176.600 -0.026 0.000 0.995 133 E CA 0.942 57.320 56.400 -0.037 0.000 0.836 133 E CB 0.045 29.724 29.700 -0.034 0.000 0.763 133 E HN 0.592 nan 8.360 nan 0.000 0.491 134 E N -0.633 119.551 120.200 -0.027 0.000 2.569 134 E HA 0.129 4.487 4.350 0.012 0.000 0.205 134 E C 0.736 177.327 176.600 -0.015 0.000 1.006 134 E CA 0.240 56.630 56.400 -0.017 0.000 0.985 134 E CB 1.034 30.727 29.700 -0.013 0.000 1.060 134 E HN 0.297 nan 8.360 nan 0.000 0.460 135 G N 1.829 110.619 108.800 -0.016 0.000 2.155 135 G HA2 -0.305 3.662 3.960 0.012 0.000 0.257 135 G HA3 -0.305 3.662 3.960 0.012 0.000 0.257 135 G C 0.302 175.199 174.900 -0.005 0.000 0.983 135 G CA 0.157 45.251 45.100 -0.010 0.000 0.676 135 G HN 0.329 nan 8.290 nan 0.000 0.528 136 I N 0.440 121.004 120.570 -0.010 0.000 2.325 136 I HA 0.303 4.480 4.170 0.012 0.000 0.291 136 I C 0.603 176.724 176.117 0.006 0.000 1.019 136 I CA -0.940 60.357 61.300 -0.004 0.000 1.302 136 I CB 1.430 39.423 38.000 -0.011 0.000 1.401 136 I HN -0.005 nan 8.210 nan 0.000 0.485 137 K N 7.500 127.910 120.400 0.016 0.000 2.336 137 K HA 0.089 4.417 4.320 0.012 0.000 0.290 137 K C -0.663 175.959 176.600 0.037 0.000 1.067 137 K CA 0.037 56.342 56.287 0.030 0.000 0.962 137 K CB -0.090 32.418 32.500 0.014 0.000 1.008 137 K HN 0.356 nan 8.250 nan 0.000 0.467 138 F N 5.779 125.674 119.950 -0.092 0.000 2.543 138 F HA 0.230 4.764 4.527 0.012 0.000 0.375 138 F C -0.116 175.632 175.800 -0.086 0.000 1.075 138 F CA -0.289 57.645 58.000 -0.111 0.000 1.225 138 F CB 0.320 39.240 39.000 -0.133 0.000 1.099 138 F HN 0.467 nan 8.300 nan 0.000 0.561 139 I N 7.310 127.474 120.570 -0.676 0.000 2.278 139 I HA 0.455 4.632 4.170 0.012 0.000 0.296 139 I C 0.581 176.240 176.117 -0.764 0.000 1.121 139 I CA 0.402 61.346 61.300 -0.593 0.000 1.267 139 I CB -0.454 37.190 38.000 -0.593 0.000 1.447 139 I HN 0.821 nan 8.210 nan 0.000 0.509 140 G N 7.229 115.818 108.800 -0.352 0.000 2.335 140 G HA2 0.294 4.262 3.960 0.012 0.000 0.291 140 G HA3 0.294 4.262 3.960 0.012 0.000 0.291 140 G C -3.232 171.676 174.900 0.013 0.000 1.261 140 G CA -0.606 44.429 45.100 -0.109 0.000 0.871 140 G HN 0.215 nan 8.290 nan 0.000 0.491 141 P HA 0.299 nan 4.420 nan 0.000 0.279 141 P C -0.623 176.725 177.300 0.080 0.000 1.282 141 P CA -0.251 62.769 63.100 -0.133 0.000 0.788 141 P CB 0.448 32.045 31.700 -0.172 0.000 1.139 142 H N -0.772 118.397 119.070 0.165 0.000 2.603 142 H HA 0.094 4.657 4.556 0.012 0.000 0.370 142 H C 1.675 176.938 175.328 -0.108 0.000 1.225 142 H CA -0.326 55.686 56.048 -0.060 0.000 1.410 142 H CB -0.069 29.547 29.762 -0.242 0.000 1.495 142 H HN 0.180 nan 8.280 nan 0.000 0.602 143 L N 0.795 122.019 121.223 0.002 0.000 2.021 143 L HA -0.273 4.074 4.340 0.012 0.000 0.215 143 L C 2.470 179.297 176.870 -0.072 0.000 1.074 143 L CA 1.903 56.700 54.840 -0.071 0.000 0.760 143 L CB -0.711 41.289 42.059 -0.099 0.000 0.889 143 L HN 0.695 nan 8.230 nan 0.000 0.433 144 E N -0.869 119.249 120.200 -0.138 0.000 2.118 144 E HA -0.260 4.097 4.350 0.012 0.000 0.195 144 E C 2.013 178.540 176.600 -0.122 0.000 0.992 144 E CA 1.678 57.978 56.400 -0.165 0.000 0.804 144 E CB -0.853 28.714 29.700 -0.222 0.000 0.741 144 E HN 0.603 nan 8.360 nan 0.000 0.458 145 H N 0.781 119.884 119.070 0.054 0.000 2.423 145 H HA 0.091 4.655 4.556 0.012 0.000 0.297 145 H C 2.341 177.785 175.328 0.193 0.000 1.075 145 H CA 0.893 57.022 56.048 0.134 0.000 1.342 145 H CB -0.131 29.776 29.762 0.241 0.000 1.395 145 H HN 0.179 nan 8.280 nan 0.000 0.530 146 L N 0.050 121.411 121.223 0.230 0.000 2.270 146 L HA -0.062 4.285 4.340 0.012 0.000 0.210 146 L C 2.296 179.233 176.870 0.112 0.000 1.104 146 L CA 0.767 55.722 54.840 0.193 0.000 0.804 146 L CB -0.081 42.046 42.059 0.114 0.000 0.937 146 L HN 0.099 nan 8.230 nan 0.000 0.450 147 D N 0.579 120.999 120.400 0.034 0.000 2.084 147 D HA -0.208 4.439 4.640 0.012 0.000 0.199 147 D C 2.294 178.571 176.300 -0.038 0.000 0.981 147 D CA 1.252 55.248 54.000 -0.006 0.000 0.841 147 D CB -0.036 40.740 40.800 -0.040 0.000 0.997 147 D HN 0.089 nan 8.370 nan 0.000 0.454 148 M N -0.810 118.710 119.600 -0.134 0.000 2.270 148 M HA -0.287 4.200 4.480 0.012 0.000 0.254 148 M C 1.498 177.617 176.300 -0.302 0.000 1.072 148 M CA 1.999 57.094 55.300 -0.342 0.000 1.077 148 M CB -0.292 31.923 32.600 -0.642 0.000 1.288 148 M HN 0.090 nan 8.290 nan 0.000 0.424 149 F N -1.848 118.183 119.950 0.135 0.000 2.695 149 F HA 0.239 4.773 4.527 0.012 0.000 0.303 149 F C 1.970 177.841 175.800 0.118 0.000 1.091 149 F CA -0.062 58.021 58.000 0.138 0.000 1.300 149 F CB -0.169 38.928 39.000 0.162 0.000 1.071 149 F HN 0.253 nan 8.300 nan 0.000 0.578 150 G N -0.874 108.062 108.800 0.228 0.000 2.394 150 G HA2 -0.163 3.804 3.960 0.012 0.000 0.215 150 G HA3 -0.163 3.804 3.960 0.012 0.000 0.215 150 G C 0.326 175.312 174.900 0.144 0.000 1.165 150 G CA 0.292 45.495 45.100 0.171 0.000 0.784 150 G HN 0.150 nan 8.290 nan 0.000 0.535 151 D N -0.089 120.383 120.400 0.120 0.000 2.280 151 D HA 0.228 4.875 4.640 0.012 0.000 0.243 151 D C 0.887 177.254 176.300 0.111 0.000 1.129 151 D CA -0.327 53.731 54.000 0.097 0.000 0.848 151 D CB 1.272 42.105 40.800 0.054 0.000 1.107 151 D HN 0.012 nan 8.370 nan 0.000 0.471 152 K N 2.034 122.504 120.400 0.117 0.000 2.283 152 K HA -0.044 4.283 4.320 0.012 0.000 0.202 152 K C 1.718 178.286 176.600 -0.054 0.000 1.048 152 K CA 0.556 56.905 56.287 0.104 0.000 0.948 152 K CB 0.435 33.057 32.500 0.203 0.000 0.742 152 K HN 0.310 nan 8.250 nan 0.000 0.458 153 V N 1.377 121.220 119.914 -0.118 0.000 2.302 153 V HA -0.184 3.944 4.120 0.012 0.000 0.243 153 V C 2.147 178.199 176.094 -0.069 0.000 1.036 153 V CA 1.384 63.572 62.300 -0.187 0.000 1.020 153 V CB -0.282 31.444 31.823 -0.162 0.000 0.657 153 V HN 0.186 nan 8.190 nan 0.000 0.453 154 K N 0.513 120.899 120.400 -0.024 0.000 2.113 154 K HA -0.175 4.152 4.320 0.012 0.000 0.208 154 K C 2.243 178.842 176.600 -0.001 0.000 1.047 154 K CA 1.694 57.967 56.287 -0.023 0.000 0.928 154 K CB -0.588 31.897 32.500 -0.025 0.000 0.716 154 K HN 0.489 nan 8.250 nan 0.000 0.446 155 A N 1.346 124.232 122.820 0.110 0.000 1.897 155 A HA -0.122 4.206 4.320 0.012 0.000 0.215 155 A C 2.211 179.927 177.584 0.220 0.000 1.181 155 A CA 0.900 53.123 52.037 0.310 0.000 0.620 155 A CB -0.271 19.067 19.000 0.564 0.000 0.821 155 A HN 0.144 nan 8.150 nan 0.000 0.443 156 R N -0.451 120.149 120.500 0.166 0.000 2.080 156 R HA -0.117 4.231 4.340 0.012 0.000 0.236 156 R C 2.306 178.591 176.300 -0.024 0.000 1.137 156 R CA 2.045 58.199 56.100 0.089 0.000 0.943 156 R CB -1.216 29.081 30.300 -0.004 0.000 0.846 156 R HN 0.601 nan 8.270 nan 0.000 0.431 157 T N 0.437 114.971 114.554 -0.035 0.000 2.665 157 T HA -0.156 4.201 4.350 0.012 0.000 0.268 157 T C 1.887 176.551 174.700 -0.061 0.000 1.035 157 T CA 2.170 64.241 62.100 -0.047 0.000 1.151 157 T CB -0.511 68.329 68.868 -0.047 0.000 0.862 157 T HN 0.337 nan 8.240 nan 0.000 0.438 158 T N 1.812 116.327 114.554 -0.066 0.000 2.759 158 T HA -0.029 4.328 4.350 0.012 0.000 0.269 158 T C 2.384 177.019 174.700 -0.109 0.000 1.042 158 T CA 1.167 63.222 62.100 -0.074 0.000 1.140 158 T CB -0.538 68.278 68.868 -0.086 0.000 0.864 158 T HN 0.487 nan 8.240 nan 0.000 0.455 159 A N 1.283 123.957 122.820 -0.243 0.000 1.855 159 A HA 0.032 4.359 4.320 0.012 0.000 0.215 159 A C 2.253 179.719 177.584 -0.197 0.000 1.191 159 A CA 1.132 52.906 52.037 -0.439 0.000 0.613 159 A CB -0.734 17.668 19.000 -0.997 0.000 0.829 159 A HN 0.512 nan 8.150 nan 0.000 0.442 160 I N -0.424 120.076 120.570 -0.117 0.000 2.264 160 I HA -0.258 3.919 4.170 0.012 0.000 0.248 160 I C 2.426 178.521 176.117 -0.037 0.000 1.111 160 I CA 1.838 63.110 61.300 -0.047 0.000 1.382 160 I CB -0.229 37.759 38.000 -0.021 0.000 1.060 160 I HN 0.225 nan 8.210 nan 0.000 0.418 161 K N 1.735 122.108 120.400 -0.045 0.000 2.097 161 K HA -0.067 4.260 4.320 0.012 0.000 0.206 161 K C 1.846 178.434 176.600 -0.020 0.000 1.049 161 K CA 1.553 57.823 56.287 -0.029 0.000 0.933 161 K CB -0.247 32.234 32.500 -0.031 0.000 0.717 161 K HN 0.306 nan 8.250 nan 0.000 0.442 162 A N 0.220 123.022 122.820 -0.031 0.000 2.259 162 A HA 0.080 4.407 4.320 0.012 0.000 0.208 162 A C -0.048 177.533 177.584 -0.005 0.000 1.201 162 A CA 0.714 52.744 52.037 -0.012 0.000 0.824 162 A CB -0.347 18.646 19.000 -0.012 0.000 0.838 162 A HN 0.503 nan 8.150 nan 0.000 0.485 163 D N -0.838 119.555 120.400 -0.011 0.000 2.705 163 D HA -0.134 4.513 4.640 0.012 0.000 0.240 163 D C -0.552 175.759 176.300 0.018 0.000 1.137 163 D CA 0.656 54.657 54.000 0.002 0.000 0.677 163 D CB -1.559 39.246 40.800 0.008 0.000 1.049 163 D HN 0.423 nan 8.370 nan 0.000 0.427 164 L N 0.701 121.931 121.223 0.011 0.000 2.322 164 L HA 0.511 4.858 4.340 0.012 0.000 0.279 164 L C -1.527 175.398 176.870 0.093 0.000 1.036 164 L CA -1.734 53.152 54.840 0.076 0.000 0.807 164 L CB 1.431 43.529 42.059 0.065 0.000 1.226 164 L HN -0.018 nan 8.230 nan 0.000 0.433 165 P HA 0.071 nan 4.420 nan 0.000 0.265 165 P C -0.786 176.723 177.300 0.348 0.000 1.193 165 P CA 0.004 63.180 63.100 0.127 0.000 0.765 165 P CB 1.407 33.003 31.700 -0.174 0.000 0.823 166 V N 4.348 124.482 119.914 0.366 0.000 2.876 166 V HA 0.230 4.357 4.120 0.012 0.000 0.312 166 V C 0.193 176.372 176.094 0.141 0.000 1.085 166 V CA -1.052 61.429 62.300 0.302 0.000 0.945 166 V CB 1.958 33.888 31.823 0.179 0.000 1.017 166 V HN 0.315 nan 8.190 nan 0.000 0.428 167 I N 4.791 125.395 120.570 0.057 0.000 2.671 167 I HA 0.219 4.396 4.170 0.012 0.000 0.285 167 I C -2.269 173.818 176.117 -0.051 0.000 1.148 167 I CA -1.387 59.822 61.300 -0.152 0.000 1.386 167 I CB -0.677 37.295 38.000 -0.047 0.000 1.406 167 I HN 0.355 nan 8.210 nan 0.000 0.540 168 P HA 0.300 nan 4.420 nan 0.000 0.263 168 P C 0.374 177.784 177.300 0.183 0.000 1.195 168 P CA 0.236 63.369 63.100 0.056 0.000 0.762 168 P CB 0.673 32.392 31.700 0.031 0.000 0.799 169 G N 1.338 110.256 108.800 0.196 0.000 2.488 169 G HA2 0.340 4.307 3.960 0.012 0.000 0.301 169 G HA3 0.340 4.307 3.960 0.012 0.000 0.301 169 G C -1.191 173.692 174.900 -0.028 0.000 1.339 169 G CA -0.618 44.500 45.100 0.029 0.000 0.803 169 G HN 0.276 nan 8.290 nan 0.000 0.482 170 T N 1.993 116.388 114.554 -0.265 0.000 2.831 170 T HA 0.163 4.520 4.350 0.012 0.000 0.291 170 T C 1.607 176.278 174.700 -0.047 0.000 0.981 170 T CA 0.733 62.763 62.100 -0.118 0.000 1.174 170 T CB 0.875 69.653 68.868 -0.150 0.000 0.929 170 T HN 0.693 nan 8.240 nan 0.000 0.532 171 D N 2.673 123.076 120.400 0.006 0.000 2.203 171 D HA -0.104 4.544 4.640 0.012 0.000 0.199 171 D C 1.010 177.286 176.300 -0.039 0.000 0.997 171 D CA 1.217 55.212 54.000 -0.008 0.000 0.863 171 D CB -0.043 40.767 40.800 0.017 0.000 0.928 171 D HN 0.637 nan 8.370 nan 0.000 0.458 172 G N -0.057 108.723 108.800 -0.035 0.000 3.135 172 G HA2 0.549 4.516 3.960 0.012 0.000 0.278 172 G HA3 0.549 4.516 3.960 0.012 0.000 0.278 172 G C -2.940 171.943 174.900 -0.029 0.000 1.302 172 G CA -0.985 44.092 45.100 -0.039 0.000 0.880 172 G HN 0.020 nan 8.290 nan 0.000 0.574 173 P HA 0.492 nan 4.420 nan 0.000 0.284 173 P C -0.327 176.988 177.300 0.025 0.000 1.258 173 P CA -0.441 62.678 63.100 0.032 0.000 0.824 173 P CB 1.778 33.502 31.700 0.039 0.000 1.038 174 I N -1.117 119.471 120.570 0.029 0.000 3.217 174 I HA 0.576 4.754 4.170 0.012 0.000 0.308 174 I C 0.511 176.634 176.117 0.010 0.000 1.091 174 I CA -1.035 60.266 61.300 0.003 0.000 1.013 174 I CB 1.398 39.378 38.000 -0.034 0.000 1.250 174 I HN 0.101 nan 8.210 nan 0.000 0.496 175 K N 0.767 121.159 120.400 -0.015 0.000 2.722 175 K HA 0.325 4.653 4.320 0.012 0.000 0.239 175 K C 0.210 176.802 176.600 -0.015 0.000 1.658 175 K CA 0.504 56.793 56.287 0.003 0.000 0.908 175 K CB 0.070 32.568 32.500 -0.004 0.000 2.016 175 K HN 0.869 nan 8.250 nan 0.000 0.370 176 S N -0.547 115.103 115.700 -0.083 0.000 2.715 176 S HA 0.643 5.121 4.470 0.012 0.000 0.307 176 S C -0.350 174.155 174.600 -0.157 0.000 1.119 176 S CA -0.609 57.487 58.200 -0.174 0.000 0.937 176 S CB 1.477 64.437 63.200 -0.400 0.000 1.150 176 S HN 0.276 nan 8.310 nan 0.000 0.521 177 Y N -0.035 120.286 120.300 0.035 0.000 2.896 177 Y HA -0.266 4.292 4.550 0.012 0.000 0.462 177 Y C 0.518 176.360 175.900 -0.098 0.000 1.200 177 Y CA 0.879 58.985 58.100 0.011 0.000 2.460 177 Y CB -1.307 37.157 38.460 0.006 0.000 1.236 177 Y HN 0.851 nan 8.280 nan 0.000 0.637 178 E N 2.324 122.604 120.200 0.133 0.000 2.222 178 E HA 0.205 4.562 4.350 0.012 0.000 0.312 178 E C 1.199 177.764 176.600 -0.058 0.000 1.263 178 E CA 0.457 56.854 56.400 -0.006 0.000 1.356 178 E CB -0.715 29.000 29.700 0.024 0.000 1.180 178 E HN 0.470 nan 8.360 nan 0.000 0.494 179 L N -2.003 119.111 121.223 -0.180 0.000 2.549 179 L HA -0.042 4.306 4.340 0.012 0.000 0.230 179 L C 1.932 178.742 176.870 -0.100 0.000 1.162 179 L CA 0.962 55.708 54.840 -0.156 0.000 0.834 179 L CB -0.231 41.663 42.059 -0.275 0.000 0.947 179 L HN 0.289 nan 8.230 nan 0.000 0.452 180 A N 0.806 123.565 122.820 -0.102 0.000 1.930 180 A HA -0.059 4.269 4.320 0.012 0.000 0.215 180 A C 2.266 179.869 177.584 0.032 0.000 1.176 180 A CA 0.830 52.856 52.037 -0.017 0.000 0.632 180 A CB -0.253 18.728 19.000 -0.032 0.000 0.819 180 A HN 0.324 nan 8.150 nan 0.000 0.445 181 K N 0.974 121.376 120.400 0.004 0.000 2.218 181 K HA -0.163 4.165 4.320 0.012 0.000 0.205 181 K C 1.054 177.665 176.600 0.019 0.000 1.046 181 K CA 1.419 57.708 56.287 0.004 0.000 0.933 181 K CB -0.276 32.223 32.500 -0.003 0.000 0.728 181 K HN 0.836 nan 8.250 nan 0.000 0.454 182 E N -0.778 119.449 120.200 0.045 0.000 2.370 182 E HA 0.014 4.371 4.350 0.012 0.000 0.194 182 E C 0.646 177.341 176.600 0.158 0.000 1.057 182 E CA -0.056 56.385 56.400 0.067 0.000 1.011 182 E CB -0.153 29.582 29.700 0.058 0.000 1.132 182 E HN 0.266 nan 8.360 nan 0.000 0.450 183 F N -0.032 119.903 119.950 -0.026 0.000 2.440 183 F HA 0.361 4.895 4.527 0.012 0.000 0.341 183 F C 2.005 177.791 175.800 -0.023 0.000 0.812 183 F CA 0.689 58.679 58.000 -0.018 0.000 1.031 183 F CB -0.139 38.855 39.000 -0.011 0.000 0.993 183 F HN 0.023 nan 8.300 nan 0.000 0.667 184 A N 0.795 123.652 122.820 0.062 0.000 1.892 184 A HA -0.228 4.099 4.320 0.012 0.000 0.218 184 A C 1.542 179.039 177.584 -0.144 0.000 1.188 184 A CA 2.429 54.454 52.037 -0.020 0.000 0.631 184 A CB -0.800 18.199 19.000 -0.002 0.000 0.822 184 A HN 0.509 nan 8.150 nan 0.000 0.447 185 E N -0.354 119.769 120.200 -0.128 0.000 2.445 185 E HA 0.153 4.510 4.350 0.012 0.000 0.189 185 E C 0.332 176.842 176.600 -0.151 0.000 1.069 185 E CA 0.446 56.772 56.400 -0.124 0.000 0.871 185 E CB 0.264 29.914 29.700 -0.083 0.000 0.991 185 E HN 0.664 nan 8.360 nan 0.000 0.481 186 E N -0.915 119.136 120.200 -0.248 0.000 2.660 186 E HA 0.362 4.719 4.350 0.012 0.000 0.216 186 E C 0.468 176.817 176.600 -0.419 0.000 0.986 186 E CA 0.178 56.410 56.400 -0.280 0.000 1.037 186 E CB 1.148 30.693 29.700 -0.259 0.000 1.041 186 E HN 0.198 nan 8.360 nan 0.000 0.480 187 A N -0.454 122.115 122.820 -0.418 0.000 1.791 187 A HA 0.807 5.134 4.320 0.012 0.000 0.177 187 A C 0.920 178.409 177.584 -0.158 0.000 1.851 187 A CA 0.420 52.214 52.037 -0.405 0.000 1.130 187 A CB 0.481 19.055 19.000 -0.710 0.000 0.958 187 A HN 0.236 nan 8.150 nan 0.000 0.637 188 G N -2.300 106.441 108.800 -0.098 0.000 2.321 188 G HA2 0.380 4.347 3.960 0.012 0.000 0.296 188 G HA3 0.380 4.347 3.960 0.012 0.000 0.296 188 G C -0.092 174.841 174.900 0.054 0.000 1.287 188 G CA 0.038 45.148 45.100 0.017 0.000 0.846 188 G HN 0.332 nan 8.290 nan 0.000 0.508 189 F N 1.323 121.280 119.950 0.012 0.000 2.094 189 F HA 0.255 4.789 4.527 0.012 0.000 0.291 189 F C -1.152 174.676 175.800 0.046 0.000 1.109 189 F CA 1.642 59.656 58.000 0.024 0.000 1.221 189 F CB 0.115 39.129 39.000 0.024 0.000 1.014 189 F HN 0.207 nan 8.300 nan 0.000 0.473 190 P HA 0.312 nan 4.420 nan 0.000 0.297 190 P C -1.079 176.348 177.300 0.212 0.000 1.319 190 P CA 0.302 63.550 63.100 0.246 0.000 0.810 190 P CB 1.662 33.547 31.700 0.309 0.000 0.947 191 L N 2.459 123.779 121.223 0.160 0.000 2.257 191 L HA 0.727 5.074 4.340 0.012 0.000 0.257 191 L C -0.042 176.912 176.870 0.139 0.000 1.033 191 L CA -1.073 53.866 54.840 0.165 0.000 0.835 191 L CB 2.219 44.361 42.059 0.138 0.000 1.398 191 L HN 0.301 nan 8.230 nan 0.000 0.429 192 M N 1.982 121.650 119.600 0.114 0.000 2.284 192 M HA 0.434 4.921 4.480 0.012 0.000 0.281 192 M C -1.876 174.406 176.300 -0.029 0.000 1.083 192 M CA -0.600 54.736 55.300 0.060 0.000 0.965 192 M CB 2.148 34.836 32.600 0.146 0.000 1.717 192 M HN 0.484 nan 8.290 nan 0.000 0.479 193 I N 5.499 126.043 120.570 -0.043 0.000 2.416 193 I HA 0.396 4.573 4.170 0.012 0.000 0.288 193 I C -1.195 174.838 176.117 -0.141 0.000 1.051 193 I CA 0.666 61.913 61.300 -0.089 0.000 1.375 193 I CB 0.324 38.320 38.000 -0.006 0.000 1.407 193 I HN 0.623 nan 8.210 nan 0.000 0.516 194 K N 6.149 126.368 120.400 -0.302 0.000 2.464 194 K HA 0.692 5.020 4.320 0.012 0.000 0.253 194 K C -0.222 176.172 176.600 -0.344 0.000 0.933 194 K CA -0.686 55.398 56.287 -0.337 0.000 0.801 194 K CB 2.063 34.285 32.500 -0.463 0.000 1.271 194 K HN 0.695 nan 8.250 nan 0.000 0.430 195 A N 1.382 124.130 122.820 -0.120 0.000 3.951 195 A HA 0.233 4.561 4.320 0.012 0.000 0.167 195 A C 0.261 177.900 177.584 0.090 0.000 1.664 195 A CA 0.747 52.778 52.037 -0.010 0.000 1.093 195 A CB 0.019 19.034 19.000 0.026 0.000 1.149 195 A HN 0.558 nan 8.150 nan 0.000 0.424 196 T N -0.256 114.370 114.554 0.119 0.000 3.634 196 T HA 0.460 4.818 4.350 0.012 0.000 0.319 196 T C -0.429 174.343 174.700 0.120 0.000 0.773 196 T CA -0.021 62.181 62.100 0.169 0.000 1.085 196 T CB -0.354 68.620 68.868 0.176 0.000 1.025 196 T HN 0.511 nan 8.240 nan 0.000 0.483 206 I N 2.106 122.608 120.570 -0.113 0.000 2.471 206 I HA 0.152 4.329 4.170 0.012 0.000 0.286 206 I C 0.727 176.767 176.117 -0.130 0.000 1.079 206 I CA -0.623 60.556 61.300 -0.201 0.000 1.398 206 I CB 1.000 38.714 38.000 -0.478 0.000 1.403 206 I HN 0.093 nan 8.210 nan 0.000 0.530 207 V N 7.263 127.131 119.914 -0.078 0.000 2.318 207 V HA 0.292 4.419 4.120 0.012 0.000 0.271 207 V C 1.268 177.347 176.094 -0.024 0.000 1.030 207 V CA -0.708 61.572 62.300 -0.034 0.000 0.844 207 V CB 0.688 32.509 31.823 -0.003 0.000 1.015 207 V HN 0.719 nan 8.190 nan 0.000 0.460 208 R N 2.742 123.229 120.500 -0.022 0.000 2.148 208 R HA 0.010 4.358 4.340 0.012 0.000 0.223 208 R C 0.966 177.240 176.300 -0.043 0.000 1.088 208 R CA 1.017 57.126 56.100 0.014 0.000 0.985 208 R CB 0.030 30.352 30.300 0.036 0.000 0.880 208 R HN 1.070 nan 8.270 nan 0.000 0.451 209 E N 1.099 121.268 120.200 -0.051 0.000 6.021 209 E HA -0.234 4.123 4.350 0.012 0.000 0.249 209 E C -1.418 175.126 176.600 -0.094 0.000 1.413 209 E CA 0.921 57.272 56.400 -0.082 0.000 2.402 209 E CB -1.179 28.450 29.700 -0.118 0.000 1.823 209 E HN 0.294 nan 8.360 nan 0.000 0.496 210 E N 0.065 120.198 120.200 -0.112 0.000 6.456 210 E HA -0.182 4.175 4.350 0.012 0.000 0.224 210 E C -0.489 176.081 176.600 -0.049 0.000 1.370 210 E CA 1.181 57.524 56.400 -0.095 0.000 1.397 210 E CB -1.866 27.760 29.700 -0.123 0.000 0.962 210 E HN 1.641 nan 8.360 nan 0.000 0.301 211 S N 2.936 118.614 115.700 -0.037 0.000 4.049 211 S HA -0.208 4.269 4.470 0.012 0.000 0.368 211 S C 0.086 174.679 174.600 -0.012 0.000 0.773 211 S CA 1.876 60.064 58.200 -0.019 0.000 1.294 211 S CB -0.322 62.867 63.200 -0.018 0.000 1.880 211 S HN 1.270 nan 8.310 nan 0.000 0.482 212 E N 2.723 122.921 120.200 -0.003 0.000 6.890 212 E HA -0.163 4.194 4.350 0.012 0.000 0.195 212 E C -0.357 176.242 176.600 -0.002 0.000 1.108 212 E CA 1.115 57.514 56.400 -0.002 0.000 1.547 212 E CB -1.336 28.358 29.700 -0.009 0.000 0.935 212 E HN 1.148 nan 8.360 nan 0.000 0.290 213 L N 3.434 124.665 121.223 0.013 0.000 1.381 213 L HA 0.069 4.416 4.340 0.012 0.000 0.129 213 L C 1.638 178.538 176.870 0.049 0.000 1.359 213 L CA 0.370 55.218 54.840 0.014 0.000 1.203 213 L CB -0.716 41.341 42.059 -0.003 0.000 2.498 213 L HN 0.342 nan 8.230 nan 0.000 0.478 214 E N 1.143 121.387 120.200 0.074 0.000 2.501 214 E HA -0.314 4.043 4.350 0.012 0.000 0.203 214 E C 0.945 177.675 176.600 0.218 0.000 1.072 214 E CA 1.745 58.238 56.400 0.154 0.000 0.885 214 E CB -0.289 29.504 29.700 0.156 0.000 0.813 214 E HN 0.745 nan 8.360 nan 0.000 0.556 215 D N 0.186 120.660 120.400 0.122 0.000 2.182 215 D HA -0.134 4.513 4.640 0.012 0.000 0.201 215 D C 1.886 178.261 176.300 0.124 0.000 0.986 215 D CA 1.842 55.895 54.000 0.088 0.000 0.847 215 D CB -0.023 40.777 40.800 -0.001 0.000 0.942 215 D HN 0.307 nan 8.370 nan 0.000 0.467 216 A N -0.389 122.499 122.820 0.112 0.000 1.902 216 A HA -0.116 4.211 4.320 0.012 0.000 0.217 216 A C 2.049 179.721 177.584 0.146 0.000 1.181 216 A CA 1.030 53.127 52.037 0.100 0.000 0.623 216 A CB -1.091 17.952 19.000 0.073 0.000 0.818 216 A HN 0.446 nan 8.150 nan 0.000 0.443 217 F N 0.055 120.028 119.950 0.039 0.000 2.293 217 F HA -0.105 4.429 4.527 0.012 0.000 0.300 217 F C 1.993 177.820 175.800 0.044 0.000 1.086 217 F CA 1.726 59.742 58.000 0.028 0.000 1.375 217 F CB -0.511 38.502 39.000 0.023 0.000 1.045 217 F HN 0.487 nan 8.300 nan 0.000 0.516 218 H N 0.933 119.994 119.070 -0.016 0.000 2.289 218 H HA -0.193 4.370 4.556 0.012 0.000 0.296 218 H C 1.796 177.025 175.328 -0.164 0.000 1.091 218 H CA 2.671 58.665 56.048 -0.090 0.000 1.274 218 H CB -0.042 29.716 29.762 -0.007 0.000 1.364 218 H HN 0.340 nan 8.280 nan 0.000 0.490 219 R N -0.659 119.840 120.500 -0.001 0.000 2.546 219 R HA 0.476 4.824 4.340 0.012 0.000 0.320 219 R C 0.418 176.665 176.300 -0.089 0.000 1.021 219 R CA 0.474 56.536 56.100 -0.063 0.000 1.088 219 R CB 0.513 30.822 30.300 0.015 0.000 1.278 219 R HN 0.165 nan 8.270 nan 0.000 0.557 220 A N 1.270 124.015 122.820 -0.126 0.000 2.833 220 A HA 0.275 4.603 4.320 0.012 0.000 0.293 220 A C 0.709 178.161 177.584 -0.219 0.000 1.338 220 A CA -0.470 51.501 52.037 -0.111 0.000 0.959 220 A CB 0.020 19.007 19.000 -0.022 0.000 1.094 220 A HN 0.294 nan 8.150 nan 0.000 0.569 221 K N -1.111 119.113 120.400 -0.293 0.000 2.329 221 K HA 0.116 4.443 4.320 0.012 0.000 0.198 221 K C 1.434 177.930 176.600 -0.172 0.000 1.085 221 K CA 0.939 57.038 56.287 -0.312 0.000 0.961 221 K CB 0.454 32.696 32.500 -0.430 0.000 0.971 221 K HN 0.331 nan 8.250 nan 0.000 0.502 222 S N 1.131 116.746 115.700 -0.142 0.000 2.503 222 S HA 0.063 4.541 4.470 0.012 0.000 0.215 222 S C 1.209 175.771 174.600 -0.064 0.000 1.003 222 S CA 0.154 58.298 58.200 -0.093 0.000 0.910 222 S CB 0.270 63.418 63.200 -0.087 0.000 0.790 222 S HN 0.222 nan 8.310 nan 0.000 0.514 223 E N 1.497 121.660 120.200 -0.062 0.000 2.409 223 E HA 0.016 4.373 4.350 0.012 0.000 0.198 223 E C 1.825 178.409 176.600 -0.028 0.000 1.024 223 E CA 0.658 57.034 56.400 -0.040 0.000 0.861 223 E CB -0.026 29.655 29.700 -0.032 0.000 0.788 223 E HN 0.518 nan 8.360 nan 0.000 0.521 224 A N 0.745 123.548 122.820 -0.029 0.000 2.044 224 A HA 0.002 4.329 4.320 0.012 0.000 0.213 224 A C 1.076 178.654 177.584 -0.009 0.000 1.169 224 A CA 0.292 52.323 52.037 -0.011 0.000 0.724 224 A CB 0.319 19.317 19.000 -0.004 0.000 0.840 224 A HN -0.002 nan 8.150 nan 0.000 0.463 233 V N -0.618 119.367 119.914 0.119 0.000 3.167 233 V HA 0.898 5.026 4.120 0.012 0.000 0.310 233 V C -1.148 175.051 176.094 0.175 0.000 1.207 233 V CA -0.562 61.811 62.300 0.121 0.000 1.059 233 V CB 1.385 33.269 31.823 0.103 0.000 1.079 233 V HN 0.863 nan 8.190 nan 0.000 0.446 234 Y N 0.174 120.460 120.300 -0.023 0.000 2.900 234 Y HA 0.884 5.441 4.550 0.012 0.000 0.318 234 Y C -1.301 174.522 175.900 -0.127 0.000 1.457 234 Y CA -1.331 56.714 58.100 -0.092 0.000 1.082 234 Y CB 1.689 40.097 38.460 -0.088 0.000 1.419 234 Y HN 0.909 nan 8.280 nan 0.000 0.459 235 I N 0.401 120.861 120.570 -0.182 0.000 2.827 235 I HA 0.548 4.725 4.170 0.012 0.000 0.298 235 I C -1.831 174.153 176.117 -0.222 0.000 1.235 235 I CA -0.497 60.617 61.300 -0.310 0.000 1.021 235 I CB 2.503 40.304 38.000 -0.331 0.000 1.259 235 I HN 0.898 nan 8.210 nan 0.000 0.427 236 E N 4.523 124.669 120.200 -0.090 0.000 2.356 236 E HA 0.389 4.747 4.350 0.012 0.000 0.275 236 E C -1.272 175.405 176.600 0.128 0.000 0.904 236 E CA -1.056 55.374 56.400 0.051 0.000 0.757 236 E CB 2.365 32.109 29.700 0.074 0.000 1.232 236 E HN 0.419 nan 8.360 nan 0.000 0.442 237 R N 2.356 122.949 120.500 0.154 0.000 2.343 237 R HA 0.031 4.379 4.340 0.012 0.000 0.326 237 R C -0.791 175.566 176.300 0.095 0.000 1.055 237 R CA -0.041 56.145 56.100 0.142 0.000 0.961 237 R CB 0.077 30.429 30.300 0.086 0.000 0.978 237 R HN 0.532 nan 8.270 nan 0.000 0.443 238 Y N 5.823 126.149 120.300 0.042 0.000 2.828 238 Y HA -0.074 4.483 4.550 0.012 0.000 0.359 238 Y C 0.296 176.218 175.900 0.035 0.000 1.258 238 Y CA 0.238 58.358 58.100 0.032 0.000 1.652 238 Y CB -0.067 38.417 38.460 0.040 0.000 1.232 238 Y HN 0.565 nan 8.280 nan 0.000 0.513 239 I N 7.023 127.351 120.570 -0.403 0.000 2.483 239 I HA 0.010 4.187 4.170 0.012 0.000 0.291 239 I C 0.126 175.924 176.117 -0.532 0.000 1.112 239 I CA 0.059 61.170 61.300 -0.315 0.000 1.350 239 I CB -0.182 37.710 38.000 -0.180 0.000 1.419 239 I HN 0.582 nan 8.210 nan 0.000 0.523 240 D N 6.764 127.034 120.400 -0.217 0.000 2.341 240 D HA 0.006 4.654 4.640 0.012 0.000 0.245 240 D C 0.470 176.774 176.300 0.007 0.000 1.106 240 D CA 0.336 54.326 54.000 -0.017 0.000 0.905 240 D CB 0.714 41.649 40.800 0.225 0.000 1.202 240 D HN 0.777 nan 8.370 nan 0.000 0.426 241 N N 1.259 120.005 118.700 0.077 0.000 2.738 241 N HA -0.127 4.620 4.740 0.012 0.000 0.249 241 N C -2.346 173.198 175.510 0.056 0.000 1.047 241 N CA -0.419 52.684 53.050 0.088 0.000 0.707 241 N CB -0.191 38.352 38.487 0.093 0.000 0.937 241 N HN 0.299 nan 8.380 nan 0.000 0.545 242 P HA 0.202 nan 4.420 nan 0.000 0.278 242 P C -0.812 176.531 177.300 0.071 0.000 1.258 242 P CA -0.094 63.027 63.100 0.034 0.000 0.811 242 P CB 1.082 32.778 31.700 -0.006 0.000 1.063 243 K N 0.672 121.108 120.400 0.060 0.000 2.235 243 K HA 0.246 4.573 4.320 0.012 0.000 0.266 243 K C -0.702 175.952 176.600 0.091 0.000 0.980 243 K CA -0.625 55.700 56.287 0.063 0.000 0.849 243 K CB 0.460 32.955 32.500 -0.008 0.000 1.098 243 K HN 0.570 nan 8.250 nan 0.000 0.445 244 H N 4.846 123.948 119.070 0.052 0.000 2.652 244 H HA 0.265 4.828 4.556 0.012 0.000 0.298 244 H C -0.697 174.658 175.328 0.045 0.000 1.076 244 H CA -0.540 55.541 56.048 0.056 0.000 1.360 244 H CB 0.404 30.201 29.762 0.060 0.000 1.421 244 H HN 0.296 nan 8.280 nan 0.000 0.464 245 I N 5.307 125.914 120.570 0.061 0.000 2.498 245 I HA 0.203 4.380 4.170 0.012 0.000 0.290 245 I C -0.501 175.686 176.117 0.116 0.000 1.032 245 I CA -0.745 60.609 61.300 0.090 0.000 1.073 245 I CB 1.693 39.678 38.000 -0.026 0.000 1.251 245 I HN 0.768 nan 8.210 nan 0.000 0.426 246 E N 5.514 125.807 120.200 0.155 0.000 2.293 246 E HA 0.725 5.082 4.350 0.012 0.000 0.270 246 E C -1.710 174.950 176.600 0.099 0.000 0.879 246 E CA -0.835 55.652 56.400 0.146 0.000 0.756 246 E CB 2.530 32.323 29.700 0.156 0.000 1.208 246 E HN 0.194 nan 8.360 nan 0.000 0.428 247 V N 1.853 121.824 119.914 0.095 0.000 2.483 247 V HA 0.256 4.383 4.120 0.012 0.000 0.295 247 V C -0.260 175.847 176.094 0.022 0.000 1.035 247 V CA -0.824 61.497 62.300 0.035 0.000 0.896 247 V CB 1.281 33.095 31.823 -0.014 0.000 0.986 247 V HN 0.743 nan 8.190 nan 0.000 0.447 248 Q N 3.184 123.011 119.800 0.045 0.000 2.274 248 Q HA 0.605 4.952 4.340 0.012 0.000 0.256 248 Q C -1.162 174.865 176.000 0.045 0.000 0.927 248 Q CA 0.029 55.859 55.803 0.045 0.000 0.939 248 Q CB 1.646 30.431 28.738 0.078 0.000 1.201 248 Q HN 0.596 nan 8.270 nan 0.000 0.426 249 V N 5.977 125.894 119.914 0.006 0.000 2.709 249 V HA 0.591 4.718 4.120 0.012 0.000 0.308 249 V C -0.690 175.431 176.094 0.044 0.000 1.062 249 V CA -0.645 61.659 62.300 0.008 0.000 0.901 249 V CB 2.005 33.782 31.823 -0.075 0.000 1.003 249 V HN 0.781 nan 8.190 nan 0.000 0.425 250 I N 3.114 123.723 120.570 0.064 0.000 2.582 250 I HA 0.773 4.951 4.170 0.012 0.000 0.292 250 I C 0.228 176.392 176.117 0.077 0.000 1.066 250 I CA -0.499 60.853 61.300 0.087 0.000 1.053 250 I CB 2.391 40.418 38.000 0.044 0.000 1.241 250 I HN 0.721 nan 8.210 nan 0.000 0.421 251 G N 3.010 111.858 108.800 0.080 0.000 2.571 251 G HA2 0.585 4.552 3.960 0.012 0.000 0.304 251 G HA3 0.585 4.552 3.960 0.012 0.000 0.304 251 G C -1.262 173.605 174.900 -0.054 0.000 1.314 251 G CA -0.425 44.690 45.100 0.025 0.000 0.975 251 G HN 0.633 nan 8.290 nan 0.000 0.485 252 D N -0.422 119.932 120.400 -0.078 0.000 2.469 252 D HA 0.194 4.842 4.640 0.012 0.000 0.278 252 D C 0.696 176.861 176.300 -0.224 0.000 1.231 252 D CA -0.534 53.363 54.000 -0.172 0.000 1.075 252 D CB 0.852 41.529 40.800 -0.205 0.000 1.121 252 D HN 0.272 nan 8.370 nan 0.000 0.571 253 E N -1.388 118.566 120.200 -0.410 0.000 2.489 253 E HA -0.032 4.326 4.350 0.012 0.000 0.193 253 E C 0.433 176.953 176.600 -0.134 0.000 1.057 253 E CA 0.276 56.519 56.400 -0.261 0.000 0.866 253 E CB -0.030 29.544 29.700 -0.210 0.000 0.916 253 E HN 0.452 nan 8.360 nan 0.000 0.500 254 H N -0.645 118.449 119.070 0.039 0.000 2.542 254 H HA 0.294 4.858 4.556 0.012 0.000 0.283 254 H C 1.324 176.675 175.328 0.038 0.000 1.059 254 H CA 0.393 56.463 56.048 0.037 0.000 1.162 254 H CB 0.931 30.709 29.762 0.027 0.000 1.539 254 H HN 0.256 nan 8.280 nan 0.000 0.543 255 G N 1.198 110.061 108.800 0.104 0.000 2.175 255 G HA2 -0.264 3.703 3.960 0.012 0.000 0.244 255 G HA3 -0.264 3.703 3.960 0.012 0.000 0.244 255 G C -0.149 174.792 174.900 0.068 0.000 0.982 255 G CA -0.261 44.890 45.100 0.085 0.000 0.641 255 G HN 0.432 nan 8.290 nan 0.000 0.527 256 N N 0.233 118.968 118.700 0.059 0.000 2.434 256 N HA 0.651 5.399 4.740 0.012 0.000 0.272 256 N C -0.206 175.321 175.510 0.030 0.000 1.040 256 N CA -0.116 52.960 53.050 0.044 0.000 0.956 256 N CB 1.239 39.754 38.487 0.047 0.000 1.108 256 N HN 0.320 nan 8.380 nan 0.000 0.481 257 I N 1.973 122.562 120.570 0.033 0.000 2.608 257 I HA 0.507 4.684 4.170 0.012 0.000 0.295 257 I C -0.429 175.696 176.117 0.014 0.000 1.049 257 I CA -1.151 60.172 61.300 0.037 0.000 1.063 257 I CB 1.799 39.836 38.000 0.061 0.000 1.248 257 I HN 0.214 nan 8.210 nan 0.000 0.424 258 V N 1.330 121.245 119.914 0.000 0.000 3.130 258 V HA 0.656 4.783 4.120 0.012 0.000 0.310 258 V C -1.063 175.012 176.094 -0.031 0.000 1.158 258 V CA -0.732 61.534 62.300 -0.056 0.000 1.029 258 V CB 1.821 33.579 31.823 -0.108 0.000 1.057 258 V HN 0.906 nan 8.190 nan 0.000 0.436 259 H N 1.087 120.089 119.070 -0.113 0.000 2.567 259 H HA 0.801 5.364 4.556 0.012 0.000 0.345 259 H C -0.553 174.684 175.328 -0.150 0.000 1.169 259 H CA -1.292 54.672 56.048 -0.139 0.000 1.227 259 H CB 1.736 31.378 29.762 -0.201 0.000 1.607 259 H HN 0.608 nan 8.280 nan 0.000 0.534 260 L N 2.725 123.966 121.223 0.030 0.000 3.141 260 L HA 0.309 4.656 4.340 0.012 0.000 0.263 260 L C -0.865 176.196 176.870 0.319 0.000 1.312 260 L CA -0.329 54.569 54.840 0.096 0.000 1.012 260 L CB -0.892 41.226 42.059 0.099 0.000 1.408 260 L HN 0.601 nan 8.230 nan 0.000 0.559 261 F N 0.084 120.227 119.950 0.322 0.000 2.183 261 F HA -0.278 4.256 4.527 0.012 0.000 0.318 261 F C 0.793 176.624 175.800 0.052 0.000 0.131 261 F CA 0.774 58.884 58.000 0.182 0.000 0.912 261 F CB -0.344 38.699 39.000 0.072 0.000 4.135 261 F HN 0.407 nan 8.300 nan 0.000 0.137 262 E N 1.928 122.269 120.200 0.235 0.000 2.264 262 E HA 0.709 5.066 4.350 0.012 0.000 0.260 262 E C -1.249 175.403 176.600 0.088 0.000 0.961 262 E CA -0.986 55.471 56.400 0.096 0.000 0.834 262 E CB 2.055 31.765 29.700 0.017 0.000 1.230 262 E HN 0.614 nan 8.360 nan 0.000 0.412 263 R N 0.945 121.491 120.500 0.076 0.000 2.513 263 R HA 0.253 4.601 4.340 0.012 0.000 0.301 263 R C -0.943 175.411 176.300 0.091 0.000 0.968 263 R CA -0.851 55.294 56.100 0.076 0.000 0.872 263 R CB 1.422 31.767 30.300 0.075 0.000 1.177 263 R HN 0.512 nan 8.270 nan 0.000 0.444 264 D N 2.178 122.625 120.400 0.079 0.000 2.339 264 D HA 0.072 4.719 4.640 0.012 0.000 0.256 264 D C -0.234 176.156 176.300 0.150 0.000 1.214 264 D CA -0.196 53.864 54.000 0.101 0.000 0.877 264 D CB 0.849 41.675 40.800 0.044 0.000 1.111 264 D HN 0.544 nan 8.370 nan 0.000 0.478 265 C N 3.041 122.437 119.300 0.159 0.000 2.638 265 C HA 0.208 4.676 4.460 0.012 0.000 0.282 265 C C 1.921 176.967 174.990 0.093 0.000 1.473 265 C CA -0.506 58.544 59.018 0.054 0.000 1.781 265 C CB -1.188 26.443 27.740 -0.181 0.000 2.780 265 C HN 0.528 nan 8.230 nan 0.000 0.531 266 S N 0.400 116.248 115.700 0.246 0.000 2.461 266 S HA -0.018 4.460 4.470 0.012 0.000 0.228 266 S C 0.940 175.713 174.600 0.289 0.000 1.005 266 S CA 0.650 59.027 58.200 0.296 0.000 0.942 266 S CB 0.049 63.451 63.200 0.337 0.000 0.776 266 S HN 0.532 nan 8.310 nan 0.000 0.514 267 V N 4.301 124.352 119.914 0.229 0.000 2.370 267 V HA 0.270 4.397 4.120 0.012 0.000 0.257 267 V C 0.021 176.200 176.094 0.141 0.000 1.064 267 V CA -0.016 62.383 62.300 0.164 0.000 0.975 267 V CB -0.567 31.277 31.823 0.036 0.000 1.067 267 V HN 0.509 nan 8.190 nan 0.000 0.485 268 Q N 3.884 123.781 119.800 0.161 0.000 2.575 268 Q HA 0.577 4.925 4.340 0.012 0.000 0.290 268 Q C 0.173 176.236 176.000 0.106 0.000 0.963 268 Q CA -1.122 54.739 55.803 0.095 0.000 0.783 268 Q CB 1.693 30.456 28.738 0.042 0.000 1.467 268 Q HN 0.442 nan 8.270 nan 0.000 0.402 269 R N 0.254 120.776 120.500 0.036 0.000 2.102 269 R HA 0.424 4.771 4.340 0.012 0.000 0.208 269 R C 1.261 177.575 176.300 0.022 0.000 1.131 269 R CA 0.230 56.349 56.100 0.032 0.000 1.054 269 R CB 0.338 30.592 30.300 -0.077 0.000 0.954 269 R HN 0.614 nan 8.270 nan 0.000 0.465 270 R N -1.877 118.619 120.500 -0.008 0.000 4.870 270 R HA 0.187 4.535 4.340 0.012 0.000 0.117 270 R C 0.838 177.147 176.300 0.016 0.000 0.874 270 R CA 0.173 56.278 56.100 0.009 0.000 0.913 270 R CB 0.290 30.590 30.300 -0.001 0.000 1.441 270 R HN 0.196 nan 8.270 nan 0.000 0.411 271 H N 0.107 119.153 119.070 -0.039 0.000 2.893 271 H HA 0.298 4.861 4.556 0.012 0.000 0.270 271 H C -0.534 174.762 175.328 -0.053 0.000 1.095 271 H CA -0.090 55.939 56.048 -0.031 0.000 1.186 271 H CB 1.120 30.863 29.762 -0.032 0.000 1.562 271 H HN -0.059 nan 8.280 nan 0.000 0.536 272 Q N 1.643 121.471 119.800 0.047 0.000 2.333 272 Q HA 0.234 4.582 4.340 0.012 0.000 0.268 272 Q C -0.959 175.018 176.000 -0.039 0.000 1.007 272 Q CA -0.956 54.834 55.803 -0.021 0.000 0.810 272 Q CB 0.974 29.652 28.738 -0.100 0.000 1.264 272 Q HN 0.182 nan 8.270 nan 0.000 0.452 273 K N 2.656 123.029 120.400 -0.046 0.000 2.416 273 K HA 0.064 4.392 4.320 0.012 0.000 0.283 273 K C 0.051 176.634 176.600 -0.028 0.000 1.037 273 K CA -0.165 56.089 56.287 -0.055 0.000 0.995 273 K CB 1.252 33.698 32.500 -0.089 0.000 0.938 273 K HN 0.446 nan 8.250 nan 0.000 0.475 274 V N 2.679 122.599 119.914 0.008 0.000 2.735 274 V HA 0.024 4.151 4.120 0.012 0.000 0.234 274 V C 0.198 176.319 176.094 0.044 0.000 1.121 274 V CA 0.290 62.617 62.300 0.045 0.000 1.160 274 V CB 0.835 32.727 31.823 0.114 0.000 0.908 274 V HN 0.450 nan 8.190 nan 0.000 0.495 275 V N 1.522 121.464 119.914 0.045 0.000 2.487 275 V HA 0.563 4.690 4.120 0.012 0.000 0.298 275 V C -1.187 174.975 176.094 0.112 0.000 1.028 275 V CA -0.554 61.776 62.300 0.051 0.000 0.860 275 V CB 1.676 33.482 31.823 -0.027 0.000 0.991 275 V HN 0.500 nan 8.190 nan 0.000 0.427 276 E N 3.093 123.360 120.200 0.112 0.000 2.212 276 E HA 0.736 5.093 4.350 0.012 0.000 0.268 276 E C -0.947 175.757 176.600 0.173 0.000 0.902 276 E CA -0.505 55.971 56.400 0.126 0.000 0.779 276 E CB 2.393 32.128 29.700 0.058 0.000 1.172 276 E HN 0.397 nan 8.360 nan 0.000 0.409 277 V N 1.550 121.576 119.914 0.187 0.000 2.815 277 V HA 0.738 4.865 4.120 0.012 0.000 0.314 277 V C 0.596 176.760 176.094 0.116 0.000 1.064 277 V CA -0.712 61.704 62.300 0.193 0.000 0.952 277 V CB 1.703 33.639 31.823 0.189 0.000 1.020 277 V HN 0.900 nan 8.190 nan 0.000 0.439 278 A N 4.626 127.521 122.820 0.124 0.000 2.668 278 A HA 0.378 4.706 4.320 0.012 0.000 0.223 278 A C -2.014 175.593 177.584 0.039 0.000 1.896 278 A CA -0.559 51.518 52.037 0.066 0.000 0.922 278 A CB -1.042 17.986 19.000 0.047 0.000 1.713 278 A HN 0.705 nan 8.150 nan 0.000 0.750 279 P HA 0.028 nan 4.420 nan 0.000 0.253 279 P C -0.233 177.071 177.300 0.007 0.000 1.170 279 P CA 0.418 63.479 63.100 -0.065 0.000 0.806 279 P CB -0.614 30.935 31.700 -0.250 0.000 0.775 280 S N 2.746 118.416 115.700 -0.050 0.000 2.626 280 S HA 0.082 4.560 4.470 0.012 0.000 0.303 280 S C 0.649 175.139 174.600 -0.183 0.000 1.256 280 S CA -0.738 57.376 58.200 -0.143 0.000 1.069 280 S CB -0.458 62.654 63.200 -0.146 0.000 0.807 280 S HN 0.266 nan 8.310 nan 0.000 0.500 281 V N 3.663 123.363 119.914 -0.357 0.000 2.686 281 V HA 0.640 4.768 4.120 0.012 0.000 0.295 281 V C 1.645 177.543 176.094 -0.326 0.000 1.055 281 V CA 0.324 62.402 62.300 -0.369 0.000 1.050 281 V CB 0.028 31.449 31.823 -0.670 0.000 0.984 281 V HN 1.340 nan 8.190 nan 0.000 0.482 282 G N 2.916 111.583 108.800 -0.222 0.000 2.399 282 G HA2 -0.203 3.764 3.960 0.012 0.000 0.216 282 G HA3 -0.203 3.764 3.960 0.012 0.000 0.216 282 G C 0.149 174.964 174.900 -0.143 0.000 1.096 282 G CA -0.134 44.853 45.100 -0.188 0.000 0.650 282 G HN 0.599 nan 8.290 nan 0.000 0.512 283 L N 3.145 124.278 121.223 -0.150 0.000 2.534 283 L HA 0.360 4.707 4.340 0.012 0.000 0.271 283 L C 1.508 178.325 176.870 -0.088 0.000 1.178 283 L CA 0.421 55.190 54.840 -0.119 0.000 0.907 283 L CB 0.686 42.668 42.059 -0.127 0.000 1.164 283 L HN 0.648 nan 8.230 nan 0.000 0.482 284 S N 3.510 119.165 115.700 -0.075 0.000 2.568 284 S HA 0.121 4.598 4.470 0.012 0.000 0.282 284 S C -1.711 172.856 174.600 -0.055 0.000 1.338 284 S CA -1.144 57.022 58.200 -0.056 0.000 1.045 284 S CB 0.887 64.058 63.200 -0.048 0.000 0.873 284 S HN 0.432 nan 8.310 nan 0.000 0.516 285 P HA -0.113 nan 4.420 nan 0.000 0.219 285 P C 1.715 178.992 177.300 -0.039 0.000 1.146 285 P CA 1.632 64.715 63.100 -0.028 0.000 0.808 285 P CB -0.433 31.259 31.700 -0.012 0.000 0.779 286 T N -2.081 112.449 114.554 -0.040 0.000 2.708 286 T HA -0.163 4.195 4.350 0.012 0.000 0.266 286 T C 1.864 176.525 174.700 -0.065 0.000 1.037 286 T CA 0.904 62.979 62.100 -0.042 0.000 1.146 286 T CB -1.297 67.553 68.868 -0.030 0.000 0.865 286 T HN 0.041 nan 8.240 nan 0.000 0.435 287 L N 0.697 121.875 121.223 -0.074 0.000 2.083 287 L HA -0.068 4.280 4.340 0.012 0.000 0.209 287 L C 3.220 179.967 176.870 -0.205 0.000 1.083 287 L CA 1.500 56.275 54.840 -0.108 0.000 0.752 287 L CB -0.375 41.627 42.059 -0.095 0.000 0.899 287 L HN 0.315 nan 8.230 nan 0.000 0.433 288 R N -0.744 119.657 120.500 -0.164 0.000 2.066 288 R HA -0.186 4.161 4.340 0.012 0.000 0.232 288 R C 2.270 178.435 176.300 -0.224 0.000 1.131 288 R CA 1.320 57.311 56.100 -0.181 0.000 0.955 288 R CB -0.144 30.115 30.300 -0.070 0.000 0.851 288 R HN 0.366 nan 8.270 nan 0.000 0.432 289 Q N 0.558 120.268 119.800 -0.149 0.000 2.030 289 Q HA -0.220 4.127 4.340 0.012 0.000 0.204 289 Q C 2.206 178.072 176.000 -0.222 0.000 0.986 289 Q CA 1.760 57.473 55.803 -0.149 0.000 0.843 289 Q CB -0.336 28.358 28.738 -0.072 0.000 0.904 289 Q HN 0.334 nan 8.270 nan 0.000 0.420 290 R N 0.171 120.548 120.500 -0.204 0.000 2.096 290 R HA -0.124 4.223 4.340 0.012 0.000 0.240 290 R C 2.374 178.357 176.300 -0.528 0.000 1.139 290 R CA 1.349 57.337 56.100 -0.188 0.000 0.952 290 R CB -0.261 30.044 30.300 0.007 0.000 0.854 290 R HN 0.232 nan 8.270 nan 0.000 0.436 291 I N -0.638 119.388 120.570 -0.907 0.000 2.163 291 I HA -0.351 3.827 4.170 0.012 0.000 0.240 291 I C 2.382 177.973 176.117 -0.877 0.000 1.081 291 I CA 1.043 61.492 61.300 -1.418 0.000 1.353 291 I CB -0.292 36.939 38.000 -1.282 0.000 1.054 291 I HN 0.319 nan 8.210 nan 0.000 0.407 292 C N 0.717 119.645 119.300 -0.619 0.000 2.413 292 C HA -0.188 4.279 4.460 0.012 0.000 0.276 292 C C 2.472 177.197 174.990 -0.442 0.000 1.248 292 C CA 0.886 59.531 59.018 -0.622 0.000 1.742 292 C CB -1.080 26.111 27.740 -0.915 0.000 2.017 292 C HN 0.526 nan 8.230 nan 0.000 0.481 293 D N 0.907 121.112 120.400 -0.325 0.000 2.104 293 D HA -0.105 4.542 4.640 0.012 0.000 0.194 293 D C 2.316 178.567 176.300 -0.082 0.000 0.994 293 D CA 1.833 55.738 54.000 -0.158 0.000 0.830 293 D CB -0.617 40.123 40.800 -0.102 0.000 0.959 293 D HN 0.484 nan 8.370 nan 0.000 0.452 294 A N 0.825 123.591 122.820 -0.090 0.000 1.940 294 A HA -0.102 4.225 4.320 0.012 0.000 0.219 294 A C 2.286 179.981 177.584 0.184 0.000 1.176 294 A CA 2.407 54.506 52.037 0.104 0.000 0.631 294 A CB -0.723 18.411 19.000 0.223 0.000 0.814 294 A HN 0.253 nan 8.150 nan 0.000 0.446 295 A N -0.260 122.634 122.820 0.124 0.000 1.873 295 A HA -0.023 4.304 4.320 0.012 0.000 0.215 295 A C 2.054 179.654 177.584 0.027 0.000 1.186 295 A CA 1.526 53.642 52.037 0.132 0.000 0.616 295 A CB -0.428 18.618 19.000 0.076 0.000 0.823 295 A HN 0.394 nan 8.150 nan 0.000 0.442 296 I N -0.105 120.459 120.570 -0.010 0.000 2.252 296 I HA -0.228 3.949 4.170 0.012 0.000 0.245 296 I C 2.630 178.765 176.117 0.029 0.000 1.102 296 I CA 1.808 63.116 61.300 0.014 0.000 1.385 296 I CB -1.229 36.786 38.000 0.026 0.000 1.064 296 I HN 0.570 nan 8.210 nan 0.000 0.414 297 Q N 0.464 120.283 119.800 0.032 0.000 2.096 297 Q HA -0.257 4.091 4.340 0.012 0.000 0.204 297 Q C 2.296 178.325 176.000 0.048 0.000 0.982 297 Q CA 1.794 57.622 55.803 0.041 0.000 0.850 297 Q CB -0.059 28.707 28.738 0.047 0.000 0.901 297 Q HN 0.399 nan 8.270 nan 0.000 0.422 298 L N -0.259 120.994 121.223 0.051 0.000 2.023 298 L HA -0.133 4.214 4.340 0.012 0.000 0.205 298 L C 2.105 179.017 176.870 0.070 0.000 1.073 298 L CA 1.605 56.471 54.840 0.044 0.000 0.745 298 L CB -0.367 41.696 42.059 0.008 0.000 0.900 298 L HN 0.269 nan 8.230 nan 0.000 0.435 299 M N -0.632 118.989 119.600 0.036 0.000 2.229 299 M HA -0.142 4.345 4.480 0.012 0.000 0.264 299 M C 2.169 178.532 176.300 0.105 0.000 1.063 299 M CA 1.343 56.672 55.300 0.048 0.000 1.114 299 M CB -1.139 31.429 32.600 -0.053 0.000 1.387 299 M HN 0.390 nan 8.290 nan 0.000 0.420 300 E N 0.108 120.355 120.200 0.079 0.000 2.072 300 E HA -0.197 4.161 4.350 0.012 0.000 0.191 300 E C 1.747 178.401 176.600 0.089 0.000 0.985 300 E CA 0.994 57.442 56.400 0.081 0.000 0.801 300 E CB -0.154 29.581 29.700 0.059 0.000 0.750 300 E HN 0.432 nan 8.360 nan 0.000 0.452 301 N N 0.759 119.509 118.700 0.084 0.000 2.289 301 N HA -0.136 4.611 4.740 0.012 0.000 0.184 301 N C 1.252 176.822 175.510 0.100 0.000 1.016 301 N CA 0.938 54.035 53.050 0.077 0.000 0.872 301 N CB 0.153 38.676 38.487 0.059 0.000 0.973 301 N HN 0.174 nan 8.380 nan 0.000 0.433 302 I N -3.515 117.143 120.570 0.147 0.000 3.936 302 I HA 0.376 4.554 4.170 0.012 0.000 0.330 302 I C -0.526 175.766 176.117 0.293 0.000 1.509 302 I CA -0.520 60.901 61.300 0.201 0.000 1.126 302 I CB -0.142 37.992 38.000 0.223 0.000 1.115 302 I HN -0.206 nan 8.210 nan 0.000 0.424 303 K N 0.726 121.250 120.400 0.207 0.000 3.419 303 K HA -0.284 4.043 4.320 0.012 0.000 0.272 303 K C -0.331 176.379 176.600 0.183 0.000 0.973 303 K CA 0.557 56.963 56.287 0.198 0.000 0.749 303 K CB -2.124 30.498 32.500 0.203 0.000 1.403 303 K HN 0.607 nan 8.250 nan 0.000 0.456 304 Y N 0.176 120.414 120.300 -0.103 0.000 2.497 304 Y HA 0.241 4.798 4.550 0.012 0.000 0.334 304 Y C 0.387 176.162 175.900 -0.209 0.000 1.199 304 Y CA -0.107 57.744 58.100 -0.416 0.000 1.425 304 Y CB 0.759 39.050 38.460 -0.281 0.000 1.291 304 Y HN 0.036 nan 8.280 nan 0.000 0.562 305 V N 6.862 126.182 119.914 -0.990 0.000 2.735 305 V HA 0.333 4.460 4.120 0.012 0.000 0.310 305 V C -0.071 175.602 176.094 -0.701 0.000 1.061 305 V CA -1.120 60.812 62.300 -0.612 0.000 0.913 305 V CB 1.495 32.967 31.823 -0.585 0.000 1.005 305 V HN 1.118 nan 8.190 nan 0.000 0.428 306 N N 1.103 119.630 118.700 -0.289 0.000 6.681 306 N HA -0.163 4.585 4.740 0.012 0.000 0.407 306 N C -0.197 175.371 175.510 0.097 0.000 0.934 306 N CA 0.741 53.711 53.050 -0.133 0.000 1.206 306 N CB -0.369 38.013 38.487 -0.175 0.000 0.835 306 N HN 1.190 nan 8.380 nan 0.000 0.310 307 A N 0.002 122.889 122.820 0.111 0.000 2.401 307 A HA 0.623 4.950 4.320 0.012 0.000 0.259 307 A C 0.783 178.548 177.584 0.303 0.000 1.103 307 A CA 0.909 53.052 52.037 0.176 0.000 0.789 307 A CB 0.367 19.415 19.000 0.079 0.000 1.035 307 A HN 0.971 nan 8.150 nan 0.000 0.491 308 G N 0.051 108.940 108.800 0.148 0.000 2.677 308 G HA2 0.593 4.561 3.960 0.012 0.000 0.291 308 G HA3 0.593 4.561 3.960 0.012 0.000 0.291 308 G C -1.033 173.758 174.900 -0.181 0.000 1.435 308 G CA -0.385 44.656 45.100 -0.098 0.000 0.826 308 G HN 0.746 nan 8.290 nan 0.000 0.491 309 T N 0.258 114.697 114.554 -0.192 0.000 2.824 309 T HA 0.561 4.918 4.350 0.012 0.000 0.282 309 T C -0.383 174.177 174.700 -0.233 0.000 0.993 309 T CA -0.377 61.633 62.100 -0.151 0.000 0.967 309 T CB 1.807 70.636 68.868 -0.064 0.000 0.960 309 T HN 0.451 nan 8.240 nan 0.000 0.441 310 V N 3.513 123.311 119.914 -0.192 0.000 2.394 310 V HA 0.387 4.514 4.120 0.012 0.000 0.282 310 V C 0.138 176.056 176.094 -0.294 0.000 1.031 310 V CA -0.717 61.429 62.300 -0.256 0.000 0.881 310 V CB 1.290 33.032 31.823 -0.135 0.000 0.982 310 V HN 0.828 nan 8.190 nan 0.000 0.451 311 E N 4.136 124.020 120.200 -0.526 0.000 2.158 311 E HA 0.583 4.940 4.350 0.012 0.000 0.271 311 E C -1.484 174.683 176.600 -0.722 0.000 0.911 311 E CA -0.321 55.815 56.400 -0.441 0.000 0.767 311 E CB 2.057 31.591 29.700 -0.277 0.000 1.120 311 E HN 0.514 nan 8.360 nan 0.000 0.405 312 F N 1.586 121.352 119.950 -0.307 0.000 2.579 312 F HA 0.444 4.978 4.527 0.012 0.000 0.324 312 F C -0.451 175.164 175.800 -0.308 0.000 1.058 312 F CA -1.081 56.791 58.000 -0.214 0.000 0.944 312 F CB 1.129 40.051 39.000 -0.131 0.000 1.245 312 F HN 0.210 nan 8.300 nan 0.000 0.477 313 L N 2.300 123.581 121.223 0.096 0.000 2.341 313 L HA 0.713 5.060 4.340 0.012 0.000 0.278 313 L C -0.861 176.113 176.870 0.174 0.000 1.005 313 L CA -0.660 54.217 54.840 0.062 0.000 0.818 313 L CB 1.883 43.978 42.059 0.060 0.000 1.259 313 L HN 0.302 nan 8.230 nan 0.000 0.418 314 V N 2.091 122.064 119.914 0.097 0.000 2.604 314 V HA 0.868 4.995 4.120 0.012 0.000 0.305 314 V C -0.188 175.942 176.094 0.060 0.000 1.043 314 V CA -0.437 61.908 62.300 0.074 0.000 0.888 314 V CB 1.765 33.592 31.823 0.007 0.000 0.995 314 V HN 0.810 nan 8.190 nan 0.000 0.429 318 D N 0.806 121.190 120.400 -0.028 0.000 2.417 318 D HA 0.204 4.852 4.640 0.012 0.000 0.207 318 D C 0.373 176.636 176.300 -0.062 0.000 1.075 318 D CA 0.200 54.182 54.000 -0.031 0.000 0.851 318 D CB 0.829 41.610 40.800 -0.032 0.000 0.976 318 D HN 0.368 nan 8.370 nan 0.000 0.505 319 E N 0.404 120.528 120.200 -0.126 0.000 2.338 319 E HA 0.266 4.624 4.350 0.012 0.000 0.272 319 E C -0.404 175.965 176.600 -0.385 0.000 1.029 319 E CA -0.199 55.994 56.400 -0.345 0.000 0.872 319 E CB 0.794 30.298 29.700 -0.327 0.000 1.015 319 E HN 0.025 nan 8.360 nan 0.000 0.417 320 F N 0.908 120.478 119.950 -0.633 0.000 2.611 320 F HA 0.741 5.275 4.527 0.012 0.000 0.324 320 F C -1.155 174.172 175.800 -0.787 0.000 1.061 320 F CA -1.242 56.434 58.000 -0.540 0.000 0.954 320 F CB 1.038 39.846 39.000 -0.320 0.000 1.301 320 F HN 0.182 nan 8.300 nan 0.000 0.482 321 F N 1.582 121.779 119.950 0.412 0.000 2.574 321 F HA 0.371 4.905 4.527 0.012 0.000 0.313 321 F C -0.723 175.319 175.800 0.404 0.000 1.130 321 F CA -1.032 57.161 58.000 0.320 0.000 0.936 321 F CB 1.830 40.912 39.000 0.136 0.000 1.219 321 F HN 0.652 nan 8.300 nan 0.000 0.445 322 F N 4.335 124.499 119.950 0.356 0.000 2.529 322 F HA 0.277 4.812 4.527 0.012 0.000 0.365 322 F C 0.008 175.775 175.800 -0.055 0.000 1.102 322 F CA 0.067 58.023 58.000 -0.073 0.000 1.271 322 F CB 0.465 39.433 39.000 -0.053 0.000 1.120 322 F HN 0.348 nan 8.300 nan 0.000 0.579 323 I N 2.786 122.720 120.570 -1.060 0.000 3.523 323 I HA 0.174 4.352 4.170 0.012 0.000 0.244 323 I C 0.113 175.660 176.117 -0.950 0.000 1.110 323 I CA 0.630 61.505 61.300 -0.707 0.000 1.517 323 I CB -0.727 37.020 38.000 -0.422 0.000 1.505 323 I HN 0.742 nan 8.210 nan 0.000 0.460 324 E N -0.053 119.499 120.200 -1.079 0.000 2.447 324 E HA 0.564 4.921 4.350 0.012 0.000 0.279 324 E C -1.649 174.612 176.600 -0.564 0.000 1.053 324 E CA -0.665 55.333 56.400 -0.669 0.000 0.840 324 E CB 2.572 32.132 29.700 -0.233 0.000 1.409 324 E HN -0.184 nan 8.360 nan 0.000 0.461 325 V N 1.501 121.237 119.914 -0.296 0.000 2.555 325 V HA 0.394 4.521 4.120 0.012 0.000 0.302 325 V C -0.884 175.099 176.094 -0.184 0.000 1.038 325 V CA -1.000 61.065 62.300 -0.391 0.000 0.887 325 V CB 1.735 32.966 31.823 -0.987 0.000 0.991 325 V HN 0.601 nan 8.190 nan 0.000 0.434 326 N N 5.754 124.367 118.700 -0.146 0.000 2.546 326 N HA 0.324 5.071 4.740 0.012 0.000 0.238 326 N C -2.578 172.945 175.510 0.023 0.000 0.984 326 N CA -1.321 51.717 53.050 -0.019 0.000 0.935 326 N CB 1.986 40.469 38.487 -0.005 0.000 1.122 326 N HN 0.400 nan 8.380 nan 0.000 0.510 327 P HA 0.138 nan 4.420 nan 0.000 0.220 327 P C -0.629 176.845 177.300 0.290 0.000 1.806 327 P CA -0.014 63.264 63.100 0.296 0.000 0.976 327 P CB -0.139 31.815 31.700 0.423 0.000 1.952 328 R N -1.442 119.187 120.500 0.216 0.000 3.000 328 R HA 0.374 4.721 4.340 0.012 0.000 0.280 328 R C -0.749 175.639 176.300 0.146 0.000 0.950 328 R CA -1.025 55.188 56.100 0.187 0.000 0.822 328 R CB -0.572 29.858 30.300 0.218 0.000 1.445 328 R HN -0.163 nan 8.270 nan 0.000 0.492 329 V N -0.729 119.275 119.914 0.150 0.000 3.096 329 V HA 0.351 4.478 4.120 0.012 0.000 0.306 329 V C -0.052 176.146 176.094 0.174 0.000 1.088 329 V CA -0.357 62.017 62.300 0.122 0.000 1.129 329 V CB 0.540 32.394 31.823 0.052 0.000 1.014 329 V HN 0.657 nan 8.190 nan 0.000 0.486 330 Q N 0.316 120.195 119.800 0.132 0.000 2.378 330 Q HA 0.496 4.844 4.340 0.012 0.000 0.276 330 Q C 1.102 177.056 176.000 -0.077 0.000 1.083 330 Q CA -0.500 55.294 55.803 -0.015 0.000 0.856 330 Q CB 2.085 30.805 28.738 -0.029 0.000 1.383 330 Q HN 0.676 nan 8.270 nan 0.000 0.458 331 V N -1.058 118.516 119.914 -0.566 0.000 2.324 331 V HA -0.283 3.845 4.120 0.012 0.000 0.250 331 V C 1.570 177.567 176.094 -0.162 0.000 1.060 331 V CA 2.223 64.233 62.300 -0.483 0.000 1.042 331 V CB -0.956 30.568 31.823 -0.499 0.000 0.650 331 V HN 0.944 nan 8.190 nan 0.000 0.450 332 E N 1.929 122.057 120.200 -0.121 0.000 2.502 332 E HA -0.203 4.154 4.350 0.012 0.000 0.194 332 E C 1.916 178.468 176.600 -0.081 0.000 1.062 332 E CA 0.807 57.150 56.400 -0.094 0.000 0.867 332 E CB -0.994 28.675 29.700 -0.053 0.000 0.888 332 E HN 0.952 nan 8.360 nan 0.000 0.510 333 H N 1.091 120.155 119.070 -0.010 0.000 2.489 333 H HA -0.039 4.524 4.556 0.012 0.000 0.295 333 H C 0.936 176.275 175.328 0.018 0.000 1.082 333 H CA 1.561 57.619 56.048 0.017 0.000 1.295 333 H CB -0.624 29.163 29.762 0.041 0.000 1.380 333 H HN 0.046 nan 8.280 nan 0.000 0.548 334 T N 2.016 116.240 114.554 -0.551 0.000 2.746 334 T HA -0.082 4.276 4.350 0.012 0.000 0.267 334 T C 2.339 176.964 174.700 -0.126 0.000 1.039 334 T CA 1.399 63.310 62.100 -0.315 0.000 1.142 334 T CB -0.271 68.421 68.868 -0.294 0.000 0.866 334 T HN 0.271 nan 8.240 nan 0.000 0.444 335 I N 1.432 121.943 120.570 -0.099 0.000 2.087 335 I HA -0.276 3.901 4.170 0.012 0.000 0.240 335 I C 2.788 178.869 176.117 -0.059 0.000 1.054 335 I CA 1.532 62.798 61.300 -0.055 0.000 1.311 335 I CB -0.861 37.134 38.000 -0.008 0.000 1.024 335 I HN 0.245 nan 8.210 nan 0.000 0.402 336 T N -0.039 114.509 114.554 -0.009 0.000 2.746 336 T HA -0.184 4.174 4.350 0.012 0.000 0.267 336 T C 1.736 176.434 174.700 -0.003 0.000 1.039 336 T CA 1.458 63.570 62.100 0.019 0.000 1.142 336 T CB -0.313 68.601 68.868 0.076 0.000 0.866 336 T HN 0.431 nan 8.240 nan 0.000 0.444 337 E N 0.903 121.110 120.200 0.012 0.000 2.085 337 E HA -0.115 4.242 4.350 0.012 0.000 0.194 337 E C 2.274 178.838 176.600 -0.060 0.000 0.994 337 E CA 1.141 57.550 56.400 0.015 0.000 0.801 337 E CB -0.267 29.469 29.700 0.061 0.000 0.743 337 E HN 0.513 nan 8.360 nan 0.000 0.453 338 M N 0.604 120.111 119.600 -0.155 0.000 2.159 338 M HA -0.138 4.350 4.480 0.012 0.000 0.263 338 M C 2.586 178.593 176.300 -0.488 0.000 1.063 338 M CA 1.266 56.356 55.300 -0.350 0.000 1.110 338 M CB -0.284 32.002 32.600 -0.522 0.000 1.374 338 M HN 0.124 nan 8.290 nan 0.000 0.411 339 V N -3.158 116.543 119.914 -0.355 0.000 2.878 339 V HA -0.026 4.102 4.120 0.012 0.000 0.250 339 V C 2.035 178.067 176.094 -0.102 0.000 1.075 339 V CA 1.572 63.734 62.300 -0.229 0.000 1.096 339 V CB -1.428 30.278 31.823 -0.195 0.000 0.724 339 V HN 0.525 nan 8.190 nan 0.000 0.467 340 T N -3.269 111.254 114.554 -0.052 0.000 3.014 340 T HA 0.414 4.771 4.350 0.012 0.000 0.250 340 T C 1.743 176.454 174.700 0.018 0.000 1.060 340 T CA 0.843 62.949 62.100 0.010 0.000 1.040 340 T CB 0.398 69.309 68.868 0.072 0.000 0.971 340 T HN 1.450 nan 8.240 nan 0.000 0.497 341 G N 1.330 110.135 108.800 0.007 0.000 2.148 341 G HA2 -0.206 3.761 3.960 0.012 0.000 0.254 341 G HA3 -0.206 3.761 3.960 0.012 0.000 0.254 341 G C -0.126 174.795 174.900 0.035 0.000 0.981 341 G CA 0.139 45.255 45.100 0.026 0.000 0.670 341 G HN 0.612 nan 8.290 nan 0.000 0.528 342 I N 0.869 121.461 120.570 0.037 0.000 2.392 342 I HA 0.323 4.501 4.170 0.012 0.000 0.295 342 I C -0.003 176.146 176.117 0.053 0.000 0.985 342 I CA -0.780 60.546 61.300 0.043 0.000 1.221 342 I CB 1.596 39.621 38.000 0.041 0.000 1.366 342 I HN 0.010 nan 8.210 nan 0.000 0.467 343 D N 6.750 127.182 120.400 0.053 0.000 2.435 343 D HA 0.173 4.820 4.640 0.012 0.000 0.230 343 D C 1.225 177.557 176.300 0.054 0.000 1.215 343 D CA 0.222 54.259 54.000 0.062 0.000 0.947 343 D CB 0.544 41.377 40.800 0.056 0.000 1.048 343 D HN 0.428 nan 8.370 nan 0.000 0.512 344 I N 2.413 123.022 120.570 0.064 0.000 2.151 344 I HA -0.325 3.852 4.170 0.012 0.000 0.243 344 I C 2.333 178.457 176.117 0.011 0.000 1.080 344 I CA 0.847 62.170 61.300 0.038 0.000 1.339 344 I CB 0.052 38.079 38.000 0.045 0.000 1.039 344 I HN 0.269 nan 8.210 nan 0.000 0.409 345 V N 0.617 120.527 119.914 -0.007 0.000 2.261 345 V HA -0.311 3.816 4.120 0.012 0.000 0.246 345 V C 2.495 178.621 176.094 0.053 0.000 1.047 345 V CA 1.960 64.263 62.300 0.006 0.000 1.015 345 V CB -0.742 31.056 31.823 -0.042 0.000 0.642 345 V HN 0.398 nan 8.190 nan 0.000 0.446 346 K N -0.105 120.323 120.400 0.046 0.000 2.044 346 K HA -0.226 4.102 4.320 0.012 0.000 0.210 346 K C 2.212 178.833 176.600 0.034 0.000 1.049 346 K CA 2.145 58.460 56.287 0.047 0.000 0.927 346 K CB -0.385 32.144 32.500 0.047 0.000 0.713 346 K HN 0.522 nan 8.250 nan 0.000 0.443 347 T N 1.368 115.938 114.554 0.027 0.000 2.699 347 T HA -0.197 4.161 4.350 0.012 0.000 0.268 347 T C 1.792 176.487 174.700 -0.008 0.000 1.036 347 T CA 1.547 63.654 62.100 0.012 0.000 1.147 347 T CB -0.197 68.680 68.868 0.014 0.000 0.862 347 T HN 0.393 nan 8.240 nan 0.000 0.446 348 Q N 0.036 119.829 119.800 -0.012 0.000 2.112 348 Q HA -0.098 4.249 4.340 0.012 0.000 0.206 348 Q C 2.323 178.268 176.000 -0.092 0.000 0.987 348 Q CA 1.418 57.181 55.803 -0.066 0.000 0.858 348 Q CB -0.394 28.297 28.738 -0.077 0.000 0.905 348 Q HN 0.552 nan 8.270 nan 0.000 0.420 349 I N 0.151 120.702 120.570 -0.033 0.000 2.233 349 I HA -0.272 3.906 4.170 0.012 0.000 0.243 349 I C 2.071 178.178 176.117 -0.018 0.000 1.093 349 I CA 0.915 62.203 61.300 -0.020 0.000 1.380 349 I CB -0.162 37.862 38.000 0.039 0.000 1.067 349 I HN 0.178 nan 8.210 nan 0.000 0.413 350 L N -0.190 121.030 121.223 -0.005 0.000 2.083 350 L HA -0.181 4.167 4.340 0.012 0.000 0.209 350 L C 2.530 179.388 176.870 -0.020 0.000 1.083 350 L CA 0.868 55.708 54.840 -0.000 0.000 0.752 350 L CB -0.574 41.491 42.059 0.011 0.000 0.899 350 L HN 0.096 nan 8.230 nan 0.000 0.433 351 V N -0.009 119.878 119.914 -0.045 0.000 2.358 351 V HA -0.226 3.901 4.120 0.012 0.000 0.246 351 V C 2.707 178.754 176.094 -0.078 0.000 1.047 351 V CA 1.692 63.946 62.300 -0.078 0.000 1.035 351 V CB -0.686 31.081 31.823 -0.093 0.000 0.658 351 V HN 0.467 nan 8.190 nan 0.000 0.452 352 A N -0.097 122.678 122.820 -0.075 0.000 2.015 352 A HA -0.016 4.311 4.320 0.012 0.000 0.219 352 A C 2.269 179.840 177.584 -0.023 0.000 1.163 352 A CA 1.708 53.709 52.037 -0.060 0.000 0.646 352 A CB -0.506 18.438 19.000 -0.094 0.000 0.806 352 A HN 0.564 nan 8.150 nan 0.000 0.448 353 A N -2.030 120.782 122.820 -0.014 0.000 2.167 353 A HA 0.401 4.728 4.320 0.012 0.000 0.214 353 A C 1.737 179.337 177.584 0.027 0.000 1.151 353 A CA 1.364 53.407 52.037 0.010 0.000 0.735 353 A CB -0.605 18.405 19.000 0.016 0.000 0.802 353 A HN 1.787 nan 8.150 nan 0.000 0.467 354 G N -2.488 106.324 108.800 0.020 0.000 2.175 354 G HA2 0.189 4.157 3.960 0.012 0.000 0.182 354 G HA3 0.189 4.157 3.960 0.012 0.000 0.182 354 G C 0.314 175.279 174.900 0.109 0.000 1.003 354 G CA 0.033 45.170 45.100 0.062 0.000 0.666 354 G HN 1.450 nan 8.290 nan 0.000 0.506 355 A N 0.405 123.256 122.820 0.051 0.000 2.450 355 A HA 0.547 4.875 4.320 0.012 0.000 0.255 355 A C 1.081 178.715 177.584 0.083 0.000 1.096 355 A CA 0.854 52.945 52.037 0.090 0.000 0.778 355 A CB 0.406 19.433 19.000 0.045 0.000 1.031 355 A HN 0.327 nan 8.150 nan 0.000 0.494 356 D N 1.797 122.339 120.400 0.237 0.000 1.989 356 D HA 0.327 4.975 4.640 0.012 0.000 0.259 356 D C 1.021 177.383 176.300 0.105 0.000 0.992 356 D CA 1.968 56.131 54.000 0.271 0.000 0.912 356 D CB 0.146 41.133 40.800 0.310 0.000 1.083 356 D HN 1.148 nan 8.370 nan 0.000 0.441 357 G N -0.238 108.591 108.800 0.049 0.000 2.396 357 G HA2 -0.151 3.816 3.960 0.012 0.000 0.254 357 G HA3 -0.151 3.816 3.960 0.012 0.000 0.254 357 G C 0.126 175.046 174.900 0.034 0.000 1.248 357 G CA 0.167 45.293 45.100 0.043 0.000 1.033 357 G HN 0.327 nan 8.290 nan 0.000 0.502 358 E N 0.002 120.222 120.200 0.032 0.000 2.474 358 E HA 0.123 4.480 4.350 0.012 0.000 0.194 358 E C 1.980 178.597 176.600 0.029 0.000 1.041 358 E CA 0.866 57.282 56.400 0.028 0.000 0.874 358 E CB 0.600 30.315 29.700 0.024 0.000 0.914 358 E HN 0.510 nan 8.360 nan 0.000 0.498 359 E N 0.444 120.664 120.200 0.032 0.000 2.065 359 E HA 0.093 4.451 4.350 0.012 0.000 0.191 359 E C 1.999 178.617 176.600 0.030 0.000 0.960 359 E CA 0.424 56.843 56.400 0.032 0.000 0.824 359 E CB 0.080 29.799 29.700 0.033 0.000 0.793 359 E HN 0.113 nan 8.360 nan 0.000 0.459 360 I N 0.412 121.000 120.570 0.030 0.000 2.353 360 I HA -0.090 4.087 4.170 0.012 0.000 0.248 360 I C -0.116 176.016 176.117 0.026 0.000 1.119 360 I CA 0.113 61.429 61.300 0.026 0.000 1.417 360 I CB -0.519 37.494 38.000 0.022 0.000 1.078 360 I HN 0.082 nan 8.210 nan 0.000 0.421 361 N N 0.342 119.058 118.700 0.026 0.000 4.477 361 N HA -0.150 4.597 4.740 0.012 0.000 0.335 361 N C -2.540 172.983 175.510 0.021 0.000 1.535 361 N CA 0.568 53.632 53.050 0.024 0.000 3.056 361 N CB -0.787 37.715 38.487 0.024 0.000 0.348 361 N HN 0.147 nan 8.380 nan 0.000 0.884 362 P HA 0.392 nan 4.420 nan 0.000 0.298 362 P C -1.137 176.158 177.300 -0.009 0.000 1.341 362 P CA -0.705 62.397 63.100 0.004 0.000 0.988 362 P CB 1.293 32.999 31.700 0.009 0.000 1.265 363 Q N 0.776 120.571 119.800 -0.007 0.000 2.421 363 Q HA 0.009 4.356 4.340 0.012 0.000 0.255 363 Q C 1.235 177.214 176.000 -0.036 0.000 1.013 363 Q CA 0.409 56.202 55.803 -0.017 0.000 0.895 363 Q CB 0.687 29.422 28.738 -0.006 0.000 1.271 363 Q HN 0.330 nan 8.270 nan 0.000 0.460 364 Q N 2.526 122.289 119.800 -0.062 0.000 2.062 364 Q HA -0.231 4.117 4.340 0.012 0.000 0.209 364 Q C 0.765 176.711 176.000 -0.090 0.000 0.996 364 Q CA 2.354 58.083 55.803 -0.125 0.000 0.859 364 Q CB -0.003 28.652 28.738 -0.139 0.000 0.920 364 Q HN 0.658 nan 8.270 nan 0.000 0.415 365 K N -0.225 120.154 120.400 -0.035 0.000 2.555 365 K HA -0.072 4.255 4.320 0.012 0.000 0.193 365 K C 0.369 176.986 176.600 0.028 0.000 1.032 365 K CA 0.713 57.004 56.287 0.007 0.000 1.004 365 K CB 0.231 32.739 32.500 0.012 0.000 0.804 365 K HN 0.312 nan 8.250 nan 0.000 0.496 366 D N 0.199 120.609 120.400 0.016 0.000 2.379 366 D HA 0.079 4.726 4.640 0.012 0.000 0.208 366 D C 0.256 176.581 176.300 0.042 0.000 1.065 366 D CA 0.210 54.225 54.000 0.026 0.000 0.848 366 D CB 0.475 41.284 40.800 0.014 0.000 0.949 366 D HN 0.121 nan 8.370 nan 0.000 0.509 367 I N 1.939 122.540 120.570 0.051 0.000 2.396 367 I HA 0.071 4.248 4.170 0.012 0.000 0.289 367 I C 0.786 177.074 176.117 0.285 0.000 1.056 367 I CA 0.178 61.545 61.300 0.113 0.000 1.365 367 I CB 0.874 38.901 38.000 0.045 0.000 1.407 367 I HN -0.170 nan 8.210 nan 0.000 0.509 368 T N 1.043 115.686 114.554 0.148 0.000 2.724 368 T HA 0.629 4.986 4.350 0.012 0.000 0.274 368 T C -0.112 174.422 174.700 -0.276 0.000 0.984 368 T CA -0.868 61.197 62.100 -0.059 0.000 1.024 368 T CB 1.693 70.508 68.868 -0.089 0.000 1.320 368 T HN 0.530 nan 8.240 nan 0.000 0.555 369 T N -0.344 113.922 114.554 -0.480 0.000 2.829 369 T HA 0.625 4.983 4.350 0.012 0.000 0.280 369 T C -0.886 173.658 174.700 -0.260 0.000 0.999 369 T CA -0.851 61.009 62.100 -0.401 0.000 0.983 369 T CB 1.124 69.649 68.868 -0.572 0.000 0.968 369 T HN 0.579 nan 8.240 nan 0.000 0.446 370 L N 4.080 125.220 121.223 -0.139 0.000 2.321 370 L HA 0.654 5.002 4.340 0.012 0.000 0.272 370 L C 0.753 177.630 176.870 0.012 0.000 1.050 370 L CA 1.213 56.024 54.840 -0.049 0.000 0.893 370 L CB -0.360 41.724 42.059 0.041 0.000 1.272 370 L HN 1.352 nan 8.230 nan 0.000 0.435 371 G N 2.748 111.464 108.800 -0.139 0.000 2.562 371 G HA2 -0.292 3.675 3.960 0.012 0.000 0.250 371 G HA3 -0.292 3.675 3.960 0.012 0.000 0.250 371 G C -0.902 173.819 174.900 -0.298 0.000 1.269 371 G CA 0.307 45.333 45.100 -0.123 0.000 0.919 371 G HN 0.581 nan 8.290 nan 0.000 0.574 372 Y N -0.140 120.259 120.300 0.166 0.000 2.536 372 Y HA 0.725 5.283 4.550 0.012 0.000 0.347 372 Y C 0.655 176.704 175.900 0.248 0.000 1.000 372 Y CA -0.183 58.016 58.100 0.165 0.000 1.051 372 Y CB 2.284 40.861 38.460 0.196 0.000 1.259 372 Y HN 1.261 nan 8.280 nan 0.000 0.468 373 A N 2.796 125.797 122.820 0.301 0.000 2.393 373 A HA 0.884 5.211 4.320 0.012 0.000 0.306 373 A C -1.386 176.319 177.584 0.201 0.000 1.050 373 A CA -0.630 51.521 52.037 0.190 0.000 0.724 373 A CB 0.830 19.814 19.000 -0.027 0.000 1.248 373 A HN 0.697 nan 8.150 nan 0.000 0.424 374 I N 1.283 121.960 120.570 0.179 0.000 2.545 374 I HA 0.455 4.632 4.170 0.012 0.000 0.292 374 I C -0.149 176.029 176.117 0.102 0.000 1.040 374 I CA -0.414 60.999 61.300 0.188 0.000 1.068 374 I CB 2.175 40.315 38.000 0.232 0.000 1.251 374 I HN 0.795 nan 8.210 nan 0.000 0.424 375 Q N 5.242 125.094 119.800 0.086 0.000 2.387 375 Q HA 0.758 5.105 4.340 0.012 0.000 0.273 375 Q C -1.392 174.631 176.000 0.038 0.000 1.089 375 Q CA -0.601 55.226 55.803 0.040 0.000 0.824 375 Q CB 2.728 31.468 28.738 0.004 0.000 1.367 375 Q HN 0.937 nan 8.270 nan 0.000 0.443 376 C N 0.296 119.609 119.300 0.022 0.000 3.291 376 C HA 0.799 5.266 4.460 0.012 0.000 0.316 376 C C -1.005 174.002 174.990 0.029 0.000 1.391 376 C CA -1.039 57.991 59.018 0.021 0.000 1.394 376 C CB 1.585 29.329 27.740 0.007 0.000 1.744 376 C HN 0.980 nan 8.230 nan 0.000 0.461 377 R N 0.636 121.161 120.500 0.042 0.000 2.740 377 R HA 0.751 5.098 4.340 0.012 0.000 0.282 377 R C -1.031 175.309 176.300 0.067 0.000 0.969 377 R CA -0.615 55.513 56.100 0.047 0.000 0.918 377 R CB 1.514 31.834 30.300 0.033 0.000 1.175 377 R HN 0.676 nan 8.270 nan 0.000 0.464 378 I N 2.972 123.584 120.570 0.070 0.000 2.312 378 I HA 0.240 4.418 4.170 0.012 0.000 0.290 378 I C 0.338 176.496 176.117 0.069 0.000 1.008 378 I CA -0.335 61.011 61.300 0.076 0.000 1.226 378 I CB 0.927 38.982 38.000 0.091 0.000 1.371 378 I HN 0.658 nan 8.210 nan 0.000 0.468 379 T N 0.243 114.836 114.554 0.066 0.000 2.893 379 T HA 0.308 4.666 4.350 0.012 0.000 0.291 379 T C 0.986 175.713 174.700 0.044 0.000 1.028 379 T CA -0.495 61.641 62.100 0.060 0.000 0.995 379 T CB 1.805 70.719 68.868 0.078 0.000 1.051 379 T HN 0.650 nan 8.240 nan 0.000 0.470 380 T N -1.387 113.188 114.554 0.035 0.000 3.155 380 T HA 0.049 4.406 4.350 0.012 0.000 0.264 380 T C 0.330 175.034 174.700 0.005 0.000 1.160 380 T CA 0.110 62.219 62.100 0.016 0.000 1.075 380 T CB -0.732 68.144 68.868 0.014 0.000 0.921 380 T HN 0.764 nan 8.240 nan 0.000 0.533 381 E N 2.224 122.440 120.200 0.028 0.000 2.417 381 E HA 0.149 4.506 4.350 0.012 0.000 0.261 381 E C -0.662 175.871 176.600 -0.112 0.000 1.000 381 E CA -0.269 56.146 56.400 0.025 0.000 0.919 381 E CB 0.394 30.219 29.700 0.208 0.000 0.955 381 E HN 0.307 nan 8.360 nan 0.000 0.455 382 D N 4.420 124.722 120.400 -0.164 0.000 2.396 382 D HA 0.138 4.786 4.640 0.012 0.000 0.225 382 D C -1.952 174.079 176.300 -0.449 0.000 1.121 382 D CA -2.566 51.295 54.000 -0.232 0.000 0.853 382 D CB 1.263 41.983 40.800 -0.133 0.000 1.043 382 D HN 0.062 nan 8.370 nan 0.000 0.500 383 P HA -0.091 nan 4.420 nan 0.000 0.223 383 P C 0.720 177.817 177.300 -0.339 0.000 1.144 383 P CA 0.709 63.284 63.100 -0.876 0.000 0.783 383 P CB 0.196 31.547 31.700 -0.581 0.000 0.771 384 L N -1.736 119.362 121.223 -0.207 0.000 2.629 384 L HA 0.170 4.517 4.340 0.012 0.000 0.230 384 L C 0.853 177.669 176.870 -0.090 0.000 1.151 384 L CA 0.824 55.606 54.840 -0.097 0.000 0.924 384 L CB -0.757 41.263 42.059 -0.064 0.000 1.137 384 L HN -0.072 nan 8.230 nan 0.000 0.457 385 N N -0.236 118.395 118.700 -0.116 0.000 2.577 385 N HA 0.049 4.796 4.740 0.012 0.000 0.285 385 N C -0.352 175.132 175.510 -0.043 0.000 1.658 385 N CA -0.092 52.916 53.050 -0.071 0.000 0.865 385 N CB -0.069 38.381 38.487 -0.062 0.000 1.419 385 N HN 0.053 nan 8.380 nan 0.000 0.495 386 D N 0.426 120.811 120.400 -0.024 0.000 2.723 386 D HA -0.250 4.397 4.640 0.012 0.000 0.236 386 D C -0.994 175.439 176.300 0.222 0.000 1.138 386 D CA 0.945 55.000 54.000 0.093 0.000 0.676 386 D CB -1.647 39.177 40.800 0.041 0.000 1.069 386 D HN 0.464 nan 8.370 nan 0.000 0.430 387 F N -2.343 117.577 119.950 -0.049 0.000 2.905 387 F HA -0.287 4.248 4.527 0.013 0.000 0.291 387 F C 0.537 176.307 175.800 -0.049 0.000 1.002 387 F CA 0.515 58.480 58.000 -0.058 0.000 0.978 387 F CB -0.879 38.078 39.000 -0.072 0.000 1.036 387 F HN 0.200 nan 8.300 nan 0.000 0.820 388 M N 2.183 121.803 119.600 0.032 0.000 2.077 388 M HA 0.243 4.730 4.480 0.012 0.000 0.348 388 M C -2.094 174.204 176.300 -0.002 0.000 1.252 388 M CA -1.445 53.862 55.300 0.012 0.000 1.096 388 M CB 0.817 33.409 32.600 -0.013 0.000 1.568 388 M HN -0.179 nan 8.290 nan 0.000 0.456 389 P HA -0.008 nan 4.420 nan 0.000 0.263 389 P C -0.329 176.965 177.300 -0.009 0.000 1.345 389 P CA -0.030 63.075 63.100 0.007 0.000 1.119 389 P CB -0.216 31.491 31.700 0.011 0.000 1.363 390 D N 2.466 122.857 120.400 -0.015 0.000 2.533 390 D HA -0.006 4.641 4.640 0.012 0.000 0.236 390 D C -0.280 176.013 176.300 -0.012 0.000 1.137 390 D CA 0.903 54.892 54.000 -0.019 0.000 0.867 390 D CB 0.463 41.249 40.800 -0.024 0.000 1.170 390 D HN 0.102 nan 8.370 nan 0.000 0.474 391 T N 2.652 117.198 114.554 -0.014 0.000 2.788 391 T HA 0.651 5.008 4.350 0.012 0.000 0.296 391 T C 0.280 174.976 174.700 -0.007 0.000 1.009 391 T CA -0.481 61.616 62.100 -0.005 0.000 0.949 391 T CB 1.292 70.157 68.868 -0.005 0.000 0.946 391 T HN 0.498 nan 8.240 nan 0.000 0.453 392 G N 2.132 110.927 108.800 -0.008 0.000 2.677 392 G HA2 0.631 4.598 3.960 0.012 0.000 0.283 392 G HA3 0.631 4.598 3.960 0.012 0.000 0.283 392 G C -1.239 173.647 174.900 -0.023 0.000 1.221 392 G CA -0.598 44.492 45.100 -0.017 0.000 0.851 392 G HN 0.536 nan 8.290 nan 0.000 0.504 393 T N 0.828 115.361 114.554 -0.034 0.000 2.841 393 T HA 0.560 4.917 4.350 0.012 0.000 0.283 393 T C -0.138 174.534 174.700 -0.047 0.000 1.000 393 T CA -0.179 61.894 62.100 -0.044 0.000 0.977 393 T CB 1.552 70.400 68.868 -0.033 0.000 0.979 393 T HN 0.461 nan 8.240 nan 0.000 0.446 394 I N 3.591 124.112 120.570 -0.083 0.000 2.452 394 I HA 0.250 4.427 4.170 0.012 0.000 0.287 394 I C 1.282 177.398 176.117 -0.001 0.000 1.079 394 I CA -0.117 61.145 61.300 -0.062 0.000 1.387 394 I CB 0.361 38.265 38.000 -0.159 0.000 1.404 394 I HN 0.714 nan 8.210 nan 0.000 0.522 395 I N 2.732 123.337 120.570 0.058 0.000 4.227 395 I HA 0.659 4.837 4.170 0.012 0.000 0.334 395 I C 0.564 176.749 176.117 0.114 0.000 1.341 395 I CA -0.120 61.253 61.300 0.122 0.000 1.123 395 I CB 0.530 38.666 38.000 0.226 0.000 1.097 395 I HN 0.515 nan 8.210 nan 0.000 0.399 396 A N 0.939 123.825 122.820 0.110 0.000 2.491 396 A HA 0.647 4.975 4.320 0.012 0.000 0.293 396 A C -2.000 175.692 177.584 0.179 0.000 1.047 396 A CA -0.268 51.840 52.037 0.119 0.000 0.735 396 A CB 0.747 19.798 19.000 0.086 0.000 1.281 396 A HN 0.335 nan 8.150 nan 0.000 0.398 397 Y N 1.995 122.317 120.300 0.037 0.000 2.331 397 Y HA 0.712 5.269 4.550 0.012 0.000 0.326 397 Y C -0.528 175.401 175.900 0.049 0.000 1.020 397 Y CA -0.539 57.586 58.100 0.041 0.000 1.136 397 Y CB 1.538 40.027 38.460 0.049 0.000 1.157 397 Y HN 0.663 nan 8.280 nan 0.000 0.444 398 R N 3.914 124.153 120.500 -0.436 0.000 2.310 398 R HA 0.339 4.686 4.340 0.012 0.000 0.316 398 R C -0.552 175.403 176.300 -0.576 0.000 1.004 398 R CA -0.461 55.391 56.100 -0.413 0.000 0.900 398 R CB 1.204 31.401 30.300 -0.171 0.000 1.152 398 R HN 0.722 nan 8.270 nan 0.000 0.513 399 S N 0.320 115.601 115.700 -0.698 0.000 2.614 399 S HA 0.169 4.647 4.470 0.012 0.000 0.265 399 S C 1.145 175.649 174.600 -0.159 0.000 1.303 399 S CA -0.126 57.844 58.200 -0.384 0.000 1.000 399 S CB 1.630 64.716 63.200 -0.190 0.000 0.935 399 S HN 0.536 nan 8.310 nan 0.000 0.551 400 S N 1.665 117.320 115.700 -0.075 0.000 2.339 400 S HA 0.508 4.985 4.470 0.012 0.000 0.213 400 S C 1.306 175.901 174.600 -0.008 0.000 1.033 400 S CA 0.173 58.351 58.200 -0.037 0.000 0.950 400 S CB -1.772 61.415 63.200 -0.022 0.000 0.893 400 S HN 2.384 nan 8.310 nan 0.000 0.492 401 G N -0.219 108.588 108.800 0.012 0.000 2.731 401 G HA2 0.433 4.400 3.960 0.012 0.000 0.686 401 G HA3 0.433 4.400 3.960 0.012 0.000 0.686 401 G C -0.040 174.882 174.900 0.036 0.000 1.395 401 G CA -0.485 44.634 45.100 0.031 0.000 0.870 401 G HN 1.884 nan 8.290 nan 0.000 0.591 402 G N -0.647 108.186 108.800 0.055 0.000 2.358 402 G HA2 0.620 4.587 3.960 0.012 0.000 0.301 402 G HA3 0.620 4.587 3.960 0.012 0.000 0.301 402 G C -0.553 174.411 174.900 0.108 0.000 1.539 402 G CA 0.038 45.185 45.100 0.078 0.000 0.893 402 G HN 2.011 nan 8.290 nan 0.000 0.636 403 F N 1.799 121.760 119.950 0.019 0.000 2.543 403 F HA 0.430 4.964 4.527 0.012 0.000 0.375 403 F C 1.351 177.165 175.800 0.024 0.000 1.075 403 F CA 1.713 59.725 58.000 0.021 0.000 1.225 403 F CB 0.821 39.827 39.000 0.010 0.000 1.099 403 F HN 1.899 nan 8.300 nan 0.000 0.561 404 G N 3.893 112.287 108.800 -0.675 0.000 2.148 404 G HA2 -0.212 3.756 3.960 0.012 0.000 0.254 404 G HA3 -0.212 3.756 3.960 0.012 0.000 0.254 404 G C -0.568 174.216 174.900 -0.193 0.000 0.981 404 G CA 0.063 44.822 45.100 -0.569 0.000 0.670 404 G HN 0.834 nan 8.290 nan 0.000 0.528 405 V N -0.289 119.566 119.914 -0.099 0.000 2.581 405 V HA 0.845 4.972 4.120 0.012 0.000 0.303 405 V C 0.315 176.412 176.094 0.005 0.000 1.041 405 V CA -0.943 61.342 62.300 -0.026 0.000 0.907 405 V CB 1.872 33.692 31.823 -0.005 0.000 0.994 405 V HN 0.356 nan 8.190 nan 0.000 0.442 406 R N 3.410 123.918 120.500 0.014 0.000 2.502 406 R HA 0.673 5.020 4.340 0.012 0.000 0.300 406 R C -1.665 174.656 176.300 0.035 0.000 0.984 406 R CA -0.308 55.807 56.100 0.025 0.000 0.882 406 R CB 1.250 31.557 30.300 0.012 0.000 1.180 406 R HN 0.730 nan 8.270 nan 0.000 0.444 407 L N 3.604 124.860 121.223 0.054 0.000 2.287 407 L HA 0.499 4.846 4.340 0.012 0.000 0.287 407 L C -0.681 176.237 176.870 0.080 0.000 1.022 407 L CA -0.699 54.187 54.840 0.076 0.000 0.814 407 L CB 1.883 44.002 42.059 0.101 0.000 1.217 407 L HN 0.512 nan 8.230 nan 0.000 0.420 408 D N 3.526 123.973 120.400 0.078 0.000 2.462 408 D HA 0.379 5.027 4.640 0.012 0.000 0.249 408 D C -0.032 176.324 176.300 0.094 0.000 1.117 408 D CA -0.130 53.917 54.000 0.078 0.000 0.900 408 D CB 1.801 42.638 40.800 0.062 0.000 1.039 408 D HN 0.488 nan 8.370 nan 0.000 0.516 409 A N 1.425 124.310 122.820 0.108 0.000 2.404 409 A HA 0.584 4.911 4.320 0.012 0.000 0.273 409 A C 1.230 178.874 177.584 0.100 0.000 1.144 409 A CA 0.006 52.111 52.037 0.114 0.000 0.806 409 A CB 0.706 19.787 19.000 0.135 0.000 1.080 409 A HN 0.537 nan 8.150 nan 0.000 0.509 410 G N 0.331 109.188 108.800 0.096 0.000 2.651 410 G HA2 0.124 4.091 3.960 0.012 0.000 0.226 410 G HA3 0.124 4.091 3.960 0.012 0.000 0.226 410 G C 0.449 175.444 174.900 0.157 0.000 1.542 410 G CA 0.332 45.490 45.100 0.097 0.000 0.868 410 G HN 0.592 nan 8.290 nan 0.000 0.588 411 D N 0.923 121.390 120.400 0.113 0.000 2.368 411 D HA 0.198 4.845 4.640 0.012 0.000 0.218 411 D C 0.617 176.860 176.300 -0.096 0.000 1.112 411 D CA 0.052 54.113 54.000 0.101 0.000 0.834 411 D CB 0.769 41.604 40.800 0.059 0.000 0.953 411 D HN 0.242 nan 8.370 nan 0.000 0.505 412 G N 1.246 109.985 108.800 -0.102 0.000 2.603 412 G HA2 0.491 4.458 3.960 0.012 0.000 0.324 412 G HA3 0.491 4.458 3.960 0.012 0.000 0.324 412 G C -0.564 173.939 174.900 -0.661 0.000 1.178 412 G CA -0.489 44.342 45.100 -0.449 0.000 1.023 412 G HN 0.049 nan 8.290 nan 0.000 0.482 413 F N -0.661 118.973 119.950 -0.527 0.000 2.923 413 F HA 0.538 5.073 4.527 0.013 0.000 0.323 413 F C 1.029 176.777 175.800 -0.087 0.000 1.189 413 F CA -1.291 56.498 58.000 -0.351 0.000 0.930 413 F CB 0.777 39.703 39.000 -0.123 0.000 1.414 413 F HN 0.162 nan 8.300 nan 0.000 0.496 414 Q N 0.648 120.626 119.800 0.296 0.000 2.045 414 Q HA -0.017 4.330 4.340 0.012 0.000 0.206 414 Q C 1.493 177.560 176.000 0.112 0.000 0.991 414 Q CA 2.540 58.471 55.803 0.213 0.000 0.851 414 Q CB -0.703 28.173 28.738 0.230 0.000 0.911 414 Q HN 1.036 nan 8.270 nan 0.000 0.418 415 G N -0.335 108.576 108.800 0.186 0.000 2.543 415 G HA2 0.352 4.319 3.960 0.012 0.000 0.221 415 G HA3 0.352 4.319 3.960 0.012 0.000 0.221 415 G C -0.189 174.698 174.900 -0.022 0.000 1.902 415 G CA 0.285 45.462 45.100 0.127 0.000 0.838 415 G HN 0.483 nan 8.290 nan 0.000 0.650 416 A N 1.371 124.267 122.820 0.127 0.000 2.603 416 A HA 0.332 4.659 4.320 0.012 0.000 0.235 416 A C 0.864 178.370 177.584 -0.131 0.000 1.035 416 A CA 0.435 52.524 52.037 0.087 0.000 0.755 416 A CB -0.263 18.961 19.000 0.373 0.000 0.954 416 A HN 0.636 nan 8.150 nan 0.000 0.511 417 E N 1.782 121.970 120.200 -0.020 0.000 2.397 417 E HA 0.435 4.792 4.350 0.012 0.000 0.254 417 E C -0.811 175.790 176.600 0.002 0.000 1.231 417 E CA -0.377 56.005 56.400 -0.029 0.000 0.954 417 E CB 0.567 30.276 29.700 0.015 0.000 1.024 417 E HN 0.480 nan 8.360 nan 0.000 0.481 418 I N 1.305 121.882 120.570 0.012 0.000 2.377 418 I HA 0.108 4.285 4.170 0.012 0.000 0.293 418 I C 0.086 176.264 176.117 0.102 0.000 0.987 418 I CA -0.722 60.612 61.300 0.057 0.000 1.185 418 I CB 1.788 39.803 38.000 0.025 0.000 1.341 418 I HN 0.495 nan 8.210 nan 0.000 0.455 419 S N 5.453 121.257 115.700 0.173 0.000 2.586 419 S HA 0.438 4.916 4.470 0.012 0.000 0.274 419 S C -2.045 172.651 174.600 0.160 0.000 1.281 419 S CA -1.191 57.137 58.200 0.214 0.000 1.035 419 S CB 1.135 64.519 63.200 0.307 0.000 0.962 419 S HN 0.448 nan 8.310 nan 0.000 0.512 420 P HA 0.171 nan 4.420 nan 0.000 0.253 420 P C -0.145 177.020 177.300 -0.224 0.000 1.260 420 P CA 0.299 63.336 63.100 -0.105 0.000 0.800 420 P CB -0.282 31.285 31.700 -0.221 0.000 1.162 421 Y N -1.762 118.450 120.300 -0.148 0.000 2.482 421 Y HA 0.151 4.709 4.550 0.012 0.000 0.270 421 Y C 0.584 176.187 175.900 -0.495 0.000 1.152 421 Y CA 0.199 58.095 58.100 -0.339 0.000 1.292 421 Y CB -0.149 38.032 38.460 -0.464 0.000 1.070 421 Y HN -0.072 nan 8.280 nan 0.000 0.528 422 Y N -0.246 120.171 120.300 0.196 0.000 2.536 422 Y HA 0.324 4.881 4.550 0.012 0.000 0.347 422 Y C -0.321 175.626 175.900 0.078 0.000 1.000 422 Y CA -2.407 55.784 58.100 0.151 0.000 1.051 422 Y CB 0.768 39.327 38.460 0.166 0.000 1.259 422 Y HN -0.033 nan 8.280 nan 0.000 0.468 423 D N -0.016 120.507 120.400 0.204 0.000 2.493 423 D HA 0.100 4.747 4.640 0.012 0.000 0.240 423 D C -0.063 176.303 176.300 0.110 0.000 1.142 423 D CA -0.329 53.732 54.000 0.101 0.000 0.872 423 D CB 0.446 41.272 40.800 0.043 0.000 1.173 423 D HN 0.444 nan 8.370 nan 0.000 0.467 424 S N 1.852 117.599 115.700 0.078 0.000 2.465 424 S HA 0.180 4.657 4.470 0.012 0.000 0.307 424 S C -0.226 174.414 174.600 0.066 0.000 1.187 424 S CA -0.951 57.293 58.200 0.073 0.000 1.141 424 S CB -0.120 63.112 63.200 0.054 0.000 1.108 424 S HN 0.499 nan 8.310 nan 0.000 0.525 425 L N 5.150 126.417 121.223 0.072 0.000 2.388 425 L HA 0.492 4.839 4.340 0.012 0.000 0.267 425 L C 0.123 177.029 176.870 0.060 0.000 0.995 425 L CA -0.442 54.438 54.840 0.067 0.000 0.864 425 L CB 0.767 42.872 42.059 0.077 0.000 1.216 425 L HN 0.742 nan 8.230 nan 0.000 0.430 426 L N 3.861 125.115 121.223 0.052 0.000 2.022 426 L HA 0.250 4.598 4.340 0.012 0.000 0.204 426 L C -0.093 176.810 176.870 0.055 0.000 1.076 426 L CA 0.689 55.549 54.840 0.034 0.000 0.749 426 L CB -0.031 42.053 42.059 0.041 0.000 0.903 426 L HN 0.442 nan 8.230 nan 0.000 0.439 427 V N -1.456 118.513 119.914 0.092 0.000 2.932 427 V HA 0.304 4.431 4.120 0.012 0.000 0.307 427 V C -0.777 175.372 176.094 0.091 0.000 1.147 427 V CA -1.152 61.217 62.300 0.114 0.000 0.951 427 V CB 1.962 33.897 31.823 0.187 0.000 1.031 427 V HN 0.049 nan 8.190 nan 0.000 0.426 428 K N 2.684 123.131 120.400 0.079 0.000 2.234 428 K HA 0.691 5.019 4.320 0.012 0.000 0.277 428 K C -1.232 175.397 176.600 0.049 0.000 1.038 428 K CA -0.530 55.789 56.287 0.053 0.000 0.888 428 K CB 1.233 33.757 32.500 0.040 0.000 1.091 428 K HN 0.614 nan 8.250 nan 0.000 0.467 429 L N 2.944 124.190 121.223 0.039 0.000 2.322 429 L HA 0.526 4.873 4.340 0.012 0.000 0.281 429 L C -1.350 175.531 176.870 0.019 0.000 1.014 429 L CA 0.194 55.055 54.840 0.035 0.000 0.815 429 L CB 1.991 44.073 42.059 0.039 0.000 1.247 429 L HN 0.583 nan 8.230 nan 0.000 0.421 430 S N 2.007 117.716 115.700 0.015 0.000 2.571 430 S HA 0.787 5.264 4.470 0.012 0.000 0.284 430 S C -0.757 173.853 174.600 0.018 0.000 1.128 430 S CA -0.600 57.606 58.200 0.011 0.000 0.970 430 S CB 1.757 64.949 63.200 -0.014 0.000 1.039 430 S HN 0.823 nan 8.310 nan 0.000 0.485 431 T N 0.156 114.731 114.554 0.036 0.000 2.908 431 T HA 0.774 5.131 4.350 0.012 0.000 0.290 431 T C -1.230 173.536 174.700 0.111 0.000 1.034 431 T CA -0.707 61.417 62.100 0.040 0.000 1.010 431 T CB 1.738 70.618 68.868 0.019 0.000 1.068 431 T HN 0.634 nan 8.240 nan 0.000 0.481 432 H N -0.102 118.925 119.070 -0.071 0.000 3.083 432 H HA 0.717 5.280 4.556 0.012 0.000 0.339 432 H C -1.217 174.046 175.328 -0.109 0.000 1.020 432 H CA 0.079 56.087 56.048 -0.066 0.000 1.360 432 H CB 1.150 30.859 29.762 -0.089 0.000 1.811 432 H HN 1.203 nan 8.280 nan 0.000 0.493 433 A N 4.096 126.788 122.820 -0.214 0.000 2.566 433 A HA 0.340 4.668 4.320 0.012 0.000 0.290 433 A C 0.704 178.243 177.584 -0.074 0.000 1.071 433 A CA -0.326 51.561 52.037 -0.250 0.000 0.658 433 A CB 0.180 19.113 19.000 -0.111 0.000 1.285 433 A HN 0.597 nan 8.150 nan 0.000 0.427 434 I N 0.671 121.213 120.570 -0.047 0.000 2.227 434 I HA -0.306 3.872 4.170 0.012 0.000 0.250 434 I C 1.153 177.374 176.117 0.173 0.000 1.087 434 I CA 2.223 63.546 61.300 0.038 0.000 1.352 434 I CB -0.558 37.465 38.000 0.039 0.000 1.043 434 I HN 0.662 nan 8.210 nan 0.000 0.425 435 S N -1.658 114.163 115.700 0.201 0.000 2.627 435 S HA 0.379 4.856 4.470 0.012 0.000 0.283 435 S C 0.138 174.856 174.600 0.196 0.000 1.127 435 S CA -0.796 57.566 58.200 0.270 0.000 0.863 435 S CB 1.588 64.861 63.200 0.120 0.000 1.121 435 S HN 0.081 nan 8.310 nan 0.000 0.479 436 F N 2.562 122.352 119.950 -0.267 0.000 2.216 436 F HA -0.046 4.488 4.527 0.012 0.000 0.300 436 F C 2.362 178.074 175.800 -0.147 0.000 1.085 436 F CA 1.853 59.656 58.000 -0.329 0.000 1.326 436 F CB -0.339 38.268 39.000 -0.656 0.000 1.027 436 F HN 0.846 nan 8.300 nan 0.000 0.497 437 K N -0.335 119.997 120.400 -0.114 0.000 2.057 437 K HA -0.206 4.122 4.320 0.012 0.000 0.207 437 K C 1.890 178.423 176.600 -0.113 0.000 1.049 437 K CA 1.756 57.958 56.287 -0.141 0.000 0.931 437 K CB -0.770 31.693 32.500 -0.063 0.000 0.714 437 K HN 0.371 nan 8.250 nan 0.000 0.440 438 Q N 0.270 120.040 119.800 -0.050 0.000 2.137 438 Q HA 0.047 4.394 4.340 0.012 0.000 0.198 438 Q C 2.271 178.248 176.000 -0.040 0.000 0.960 438 Q CA 1.057 56.843 55.803 -0.030 0.000 0.847 438 Q CB 0.011 28.751 28.738 0.002 0.000 0.915 438 Q HN 0.529 nan 8.270 nan 0.000 0.448 439 A N 1.066 123.870 122.820 -0.027 0.000 1.929 439 A HA -0.176 4.152 4.320 0.012 0.000 0.216 439 A C 1.975 179.518 177.584 -0.068 0.000 1.176 439 A CA 1.050 53.082 52.037 -0.009 0.000 0.628 439 A CB -0.307 18.753 19.000 0.100 0.000 0.816 439 A HN 0.236 nan 8.150 nan 0.000 0.444 440 E N 0.757 120.844 120.200 -0.188 0.000 2.077 440 E HA -0.231 4.126 4.350 0.012 0.000 0.193 440 E C 1.914 178.442 176.600 -0.119 0.000 0.989 440 E CA 1.642 57.911 56.400 -0.219 0.000 0.800 440 E CB -0.195 29.251 29.700 -0.424 0.000 0.746 440 E HN 0.887 nan 8.360 nan 0.000 0.452 441 E N -0.063 120.076 120.200 -0.101 0.000 2.435 441 E HA -0.090 4.267 4.350 0.012 0.000 0.195 441 E C 1.916 178.490 176.600 -0.044 0.000 1.029 441 E CA 0.369 56.730 56.400 -0.064 0.000 0.865 441 E CB -0.022 29.646 29.700 -0.053 0.000 0.833 441 E HN 0.031 nan 8.360 nan 0.000 0.510 442 K N 0.063 120.438 120.400 -0.043 0.000 2.116 442 K HA -0.040 4.287 4.320 0.012 0.000 0.203 442 K C 2.055 178.638 176.600 -0.027 0.000 1.052 442 K CA 0.839 57.108 56.287 -0.030 0.000 0.952 442 K CB 0.048 32.527 32.500 -0.035 0.000 0.729 442 K HN 0.060 nan 8.250 nan 0.000 0.446 443 M N 0.786 120.367 119.600 -0.033 0.000 2.077 443 M HA -0.122 4.365 4.480 0.012 0.000 0.261 443 M C 1.909 178.186 176.300 -0.039 0.000 1.070 443 M CA 1.561 56.843 55.300 -0.030 0.000 1.125 443 M CB -0.297 32.285 32.600 -0.030 0.000 1.339 443 M HN 0.059 nan 8.290 nan 0.000 0.409 444 V N -0.718 119.164 119.914 -0.052 0.000 2.490 444 V HA -0.207 3.920 4.120 0.012 0.000 0.250 444 V C 2.295 178.367 176.094 -0.037 0.000 1.061 444 V CA 2.200 64.468 62.300 -0.053 0.000 1.064 444 V CB -1.096 30.691 31.823 -0.061 0.000 0.670 444 V HN 0.587 nan 8.190 nan 0.000 0.461 445 R N 2.443 122.925 120.500 -0.030 0.000 2.066 445 R HA -0.101 4.247 4.340 0.012 0.000 0.232 445 R C 2.511 178.800 176.300 -0.018 0.000 1.131 445 R CA 2.299 58.386 56.100 -0.021 0.000 0.955 445 R CB -1.014 29.278 30.300 -0.015 0.000 0.851 445 R HN 0.799 nan 8.270 nan 0.000 0.432 446 S N 0.042 115.732 115.700 -0.016 0.000 2.406 446 S HA -0.074 4.403 4.470 0.012 0.000 0.228 446 S C 2.092 176.683 174.600 -0.016 0.000 1.020 446 S CA 1.044 59.236 58.200 -0.013 0.000 0.965 446 S CB -0.499 62.697 63.200 -0.006 0.000 0.798 446 S HN 0.322 nan 8.310 nan 0.000 0.488 447 L N 0.893 122.105 121.223 -0.018 0.000 2.083 447 L HA -0.010 4.338 4.340 0.012 0.000 0.209 447 L C 3.107 179.966 176.870 -0.020 0.000 1.083 447 L CA 1.310 56.140 54.840 -0.017 0.000 0.752 447 L CB -0.344 41.698 42.059 -0.028 0.000 0.899 447 L HN 0.270 nan 8.230 nan 0.000 0.433 448 R N -0.405 120.081 120.500 -0.024 0.000 2.148 448 R HA -0.104 4.243 4.340 0.012 0.000 0.223 448 R C 2.013 178.299 176.300 -0.023 0.000 1.088 448 R CA 0.808 56.894 56.100 -0.023 0.000 0.985 448 R CB -0.052 30.234 30.300 -0.024 0.000 0.880 448 R HN 0.447 nan 8.270 nan 0.000 0.451 449 E N -0.133 120.051 120.200 -0.026 0.000 2.208 449 E HA -0.027 4.330 4.350 0.012 0.000 0.193 449 E C 0.213 176.783 176.600 -0.048 0.000 0.988 449 E CA 0.237 56.617 56.400 -0.033 0.000 0.828 449 E CB 0.191 29.872 29.700 -0.032 0.000 0.763 449 E HN 0.091 nan 8.360 nan 0.000 0.478 450 M N 1.247 120.821 119.600 -0.044 0.000 2.284 450 M HA 0.051 4.539 4.480 0.012 0.000 0.351 450 M C -0.164 176.112 176.300 -0.041 0.000 1.443 450 M CA 1.145 56.413 55.300 -0.053 0.000 1.031 450 M CB 0.119 32.710 32.600 -0.015 0.000 1.893 450 M HN -0.125 nan 8.290 nan 0.000 0.456 451 R N 3.630 124.092 120.500 -0.063 0.000 2.510 451 R HA 0.671 5.018 4.340 0.012 0.000 0.294 451 R C -1.245 175.064 176.300 0.015 0.000 1.056 451 R CA -0.336 55.751 56.100 -0.023 0.000 0.918 451 R CB 1.718 32.002 30.300 -0.027 0.000 1.187 451 R HN 0.629 nan 8.270 nan 0.000 0.437 452 I N 2.171 122.777 120.570 0.060 0.000 2.608 452 I HA 0.568 4.746 4.170 0.012 0.000 0.295 452 I C -0.253 175.904 176.117 0.068 0.000 1.049 452 I CA -0.817 60.549 61.300 0.111 0.000 1.063 452 I CB 2.319 40.407 38.000 0.146 0.000 1.248 452 I HN 0.368 nan 8.210 nan 0.000 0.424 453 R N 2.034 122.575 120.500 0.069 0.000 2.774 453 R HA 0.676 5.023 4.340 0.012 0.000 0.272 453 R C 0.306 176.629 176.300 0.038 0.000 1.000 453 R CA -0.041 56.088 56.100 0.048 0.000 0.906 453 R CB 2.063 32.396 30.300 0.055 0.000 1.227 453 R HN 0.877 nan 8.270 nan 0.000 0.468 454 G N -0.073 108.740 108.800 0.021 0.000 2.254 454 G HA2 -0.256 3.711 3.960 0.012 0.000 0.225 454 G HA3 -0.256 3.711 3.960 0.012 0.000 0.225 454 G C -0.342 174.550 174.900 -0.012 0.000 1.003 454 G CA 0.098 45.198 45.100 -0.000 0.000 0.622 454 G HN 0.714 nan 8.290 nan 0.000 0.507 455 V N -2.640 117.271 119.914 -0.005 0.000 3.130 455 V HA 0.839 4.967 4.120 0.012 0.000 0.310 455 V C -0.258 175.832 176.094 -0.007 0.000 1.158 455 V CA -1.599 60.695 62.300 -0.011 0.000 1.029 455 V CB 1.725 33.540 31.823 -0.013 0.000 1.057 455 V HN 0.311 nan 8.190 nan 0.000 0.436 456 K N 1.220 121.610 120.400 -0.017 0.000 2.110 456 K HA 0.741 5.068 4.320 0.012 0.000 0.263 456 K C -0.143 176.443 176.600 -0.023 0.000 0.975 456 K CA -0.269 56.004 56.287 -0.024 0.000 0.895 456 K CB 1.753 34.228 32.500 -0.042 0.000 1.060 456 K HN 1.058 nan 8.250 nan 0.000 0.448 457 T N -2.113 112.428 114.554 -0.021 0.000 2.907 457 T HA 0.204 4.561 4.350 0.012 0.000 0.290 457 T C 0.463 175.146 174.700 -0.028 0.000 1.066 457 T CA -1.078 61.017 62.100 -0.008 0.000 1.012 457 T CB 1.010 69.892 68.868 0.023 0.000 1.184 457 T HN 0.671 nan 8.240 nan 0.000 0.522 458 N N 0.560 119.258 118.700 -0.004 0.000 2.322 458 N HA 0.067 4.815 4.740 0.012 0.000 0.216 458 N C 1.068 176.639 175.510 0.101 0.000 1.144 458 N CA -0.182 52.875 53.050 0.011 0.000 0.830 458 N CB -0.371 38.138 38.487 0.036 0.000 1.034 458 N HN 0.701 nan 8.380 nan 0.000 0.484 459 I N 1.097 121.703 120.570 0.061 0.000 2.163 459 I HA -0.118 4.059 4.170 0.012 0.000 0.240 459 I C -0.587 175.555 176.117 0.042 0.000 1.081 459 I CA 1.098 62.429 61.300 0.053 0.000 1.353 459 I CB -1.205 36.814 38.000 0.031 0.000 1.054 459 I HN 0.086 nan 8.210 nan 0.000 0.407 460 P HA -0.183 nan 4.420 nan 0.000 0.220 460 P C 1.619 178.919 177.300 -0.000 0.000 1.148 460 P CA 1.248 64.351 63.100 0.005 0.000 0.803 460 P CB -0.125 31.577 31.700 0.004 0.000 0.782 461 F N 0.973 120.857 119.950 -0.110 0.000 2.046 461 F HA -0.222 4.312 4.527 0.012 0.000 0.297 461 F C 1.911 177.619 175.800 -0.154 0.000 1.123 461 F CA 1.682 59.588 58.000 -0.157 0.000 1.199 461 F CB -1.078 37.838 39.000 -0.140 0.000 0.972 461 F HN -0.278 nan 8.300 nan 0.000 0.474 462 L N 0.124 121.321 121.223 -0.043 0.000 2.079 462 L HA -0.248 4.099 4.340 0.012 0.000 0.210 462 L C 2.498 179.219 176.870 -0.249 0.000 1.081 462 L CA 1.498 56.231 54.840 -0.178 0.000 0.752 462 L CB -0.909 41.142 42.059 -0.015 0.000 0.896 462 L HN 0.235 nan 8.230 nan 0.000 0.433 463 I N 0.157 120.631 120.570 -0.159 0.000 2.118 463 I HA -0.335 3.842 4.170 0.012 0.000 0.241 463 I C 2.309 178.311 176.117 -0.192 0.000 1.070 463 I CA 1.416 62.629 61.300 -0.145 0.000 1.327 463 I CB -0.478 37.469 38.000 -0.089 0.000 1.034 463 I HN 0.358 nan 8.210 nan 0.000 0.405 464 N N 0.467 119.027 118.700 -0.232 0.000 2.104 464 N HA -0.145 4.602 4.740 0.012 0.000 0.190 464 N C 1.871 177.200 175.510 -0.302 0.000 1.024 464 N CA 1.219 54.118 53.050 -0.252 0.000 0.853 464 N CB -0.705 37.611 38.487 -0.285 0.000 1.008 464 N HN 0.182 nan 8.380 nan 0.000 0.424 465 V N 1.614 121.254 119.914 -0.457 0.000 2.255 465 V HA -0.245 3.882 4.120 0.012 0.000 0.247 465 V C 2.413 178.227 176.094 -0.466 0.000 1.051 465 V CA 1.406 63.426 62.300 -0.467 0.000 1.018 465 V CB -0.413 31.036 31.823 -0.622 0.000 0.641 465 V HN 0.249 nan 8.190 nan 0.000 0.445 466 M N -0.567 118.748 119.600 -0.476 0.000 2.065 466 M HA -0.158 4.329 4.480 0.012 0.000 0.259 466 M C 2.204 178.448 176.300 -0.093 0.000 1.069 466 M CA 1.694 56.782 55.300 -0.355 0.000 1.110 466 M CB -1.302 31.155 32.600 -0.238 0.000 1.328 466 M HN 0.226 nan 8.290 nan 0.000 0.405 467 K N 0.698 121.038 120.400 -0.100 0.000 2.160 467 K HA -0.081 4.246 4.320 0.012 0.000 0.206 467 K C 0.798 177.403 176.600 0.009 0.000 1.047 467 K CA 0.241 56.501 56.287 -0.045 0.000 0.930 467 K CB -0.725 31.738 32.500 -0.062 0.000 0.720 467 K HN 0.398 nan 8.250 nan 0.000 0.450 468 N N 1.922 120.640 118.700 0.032 0.000 2.411 468 N HA -0.099 4.648 4.740 0.012 0.000 0.261 468 N C 0.865 176.479 175.510 0.174 0.000 1.248 468 N CA 0.439 53.559 53.050 0.116 0.000 0.885 468 N CB 0.824 39.431 38.487 0.201 0.000 1.062 468 N HN 0.075 nan 8.380 nan 0.000 0.471 469 K N 3.689 124.165 120.400 0.128 0.000 2.147 469 K HA -0.118 4.210 4.320 0.012 0.000 0.205 469 K C 1.179 177.864 176.600 0.141 0.000 1.049 469 K CA 1.167 57.519 56.287 0.109 0.000 0.936 469 K CB 0.225 32.770 32.500 0.075 0.000 0.722 469 K HN 0.529 nan 8.250 nan 0.000 0.446 470 K N -0.548 119.977 120.400 0.208 0.000 2.217 470 K HA -0.119 4.208 4.320 0.012 0.000 0.202 470 K C 1.903 178.597 176.600 0.157 0.000 1.051 470 K CA 0.950 57.372 56.287 0.225 0.000 0.952 470 K CB -0.115 32.608 32.500 0.372 0.000 0.736 470 K HN 0.156 nan 8.250 nan 0.000 0.453 471 F N 2.205 122.130 119.950 -0.043 0.000 2.128 471 F HA -0.162 4.373 4.527 0.013 0.000 0.295 471 F C 2.017 177.910 175.800 0.154 0.000 1.100 471 F CA 1.402 59.261 58.000 -0.233 0.000 1.260 471 F CB -0.224 38.588 39.000 -0.314 0.000 1.009 471 F HN -0.131 nan 8.300 nan 0.000 0.476 472 T N -0.807 113.802 114.554 0.092 0.000 2.915 472 T HA -0.184 4.174 4.350 0.012 0.000 0.269 472 T C 2.207 176.989 174.700 0.136 0.000 1.071 472 T CA 1.208 63.345 62.100 0.062 0.000 1.132 472 T CB -0.571 68.299 68.868 0.003 0.000 0.878 472 T HN 0.401 nan 8.240 nan 0.000 0.479 473 S N 0.729 116.476 115.700 0.079 0.000 2.370 473 S HA 0.002 4.479 4.470 0.012 0.000 0.226 473 S C 2.163 176.731 174.600 -0.054 0.000 1.033 473 S CA 2.055 60.272 58.200 0.028 0.000 1.011 473 S CB -0.801 62.424 63.200 0.043 0.000 0.852 473 S HN 0.843 nan 8.310 nan 0.000 0.457 474 G N 0.365 109.125 108.800 -0.066 0.000 2.213 474 G HA2 -0.248 3.720 3.960 0.012 0.000 0.236 474 G HA3 -0.248 3.720 3.960 0.012 0.000 0.236 474 G C 0.533 175.121 174.900 -0.520 0.000 0.991 474 G CA 0.705 45.596 45.100 -0.349 0.000 0.629 474 G HN 0.577 nan 8.290 nan 0.000 0.517 475 D N 0.259 120.508 120.400 -0.253 0.000 2.363 475 D HA 0.166 4.814 4.640 0.012 0.000 0.226 475 D C 1.311 177.494 176.300 -0.196 0.000 1.020 475 D CA 0.084 53.959 54.000 -0.208 0.000 0.892 475 D CB -0.286 40.471 40.800 -0.071 0.000 0.900 475 D HN 0.709 nan 8.370 nan 0.000 0.531 476 Y N -0.458 119.760 120.300 -0.137 0.000 2.426 476 Y HA 0.355 4.912 4.550 0.013 0.000 0.344 476 Y C 0.981 176.865 175.900 -0.027 0.000 1.256 476 Y CA -0.668 57.361 58.100 -0.119 0.000 1.451 476 Y CB -0.027 38.176 38.460 -0.427 0.000 1.342 476 Y HN -0.156 nan 8.280 nan 0.000 0.600 477 T N -3.019 111.697 114.554 0.270 0.000 2.762 477 T HA 0.302 4.659 4.350 0.012 0.000 0.272 477 T C 1.058 175.947 174.700 0.315 0.000 0.982 477 T CA -0.241 61.992 62.100 0.223 0.000 1.013 477 T CB 0.838 69.803 68.868 0.162 0.000 1.309 477 T HN 0.858 nan 8.240 nan 0.000 0.572 478 T N -1.105 113.596 114.554 0.244 0.000 2.833 478 T HA -0.026 4.331 4.350 0.012 0.000 0.269 478 T C 1.444 176.295 174.700 0.252 0.000 1.054 478 T CA 0.637 62.881 62.100 0.238 0.000 1.135 478 T CB -0.491 68.489 68.868 0.187 0.000 0.869 478 T HN 0.516 nan 8.240 nan 0.000 0.466 479 K N 0.331 120.877 120.400 0.244 0.000 2.589 479 K HA 0.132 4.459 4.320 0.012 0.000 0.192 479 K C 1.323 178.075 176.600 0.253 0.000 1.029 479 K CA -0.067 56.352 56.287 0.221 0.000 1.031 479 K CB -0.501 32.113 32.500 0.190 0.000 0.821 479 K HN 0.448 nan 8.250 nan 0.000 0.502 480 F N 1.490 121.532 119.950 0.153 0.000 2.134 480 F HA -0.177 4.357 4.527 0.012 0.000 0.299 480 F C 1.755 177.627 175.800 0.119 0.000 1.097 480 F CA 1.229 59.313 58.000 0.140 0.000 1.264 480 F CB -0.096 38.990 39.000 0.143 0.000 1.001 480 F HN -0.083 nan 8.300 nan 0.000 0.479 481 I N -0.065 120.529 120.570 0.041 0.000 2.286 481 I HA -0.220 3.957 4.170 0.012 0.000 0.245 481 I C 2.119 178.298 176.117 0.104 0.000 1.104 481 I CA 1.348 62.654 61.300 0.010 0.000 1.397 481 I CB -0.410 37.719 38.000 0.214 0.000 1.072 481 I HN 0.090 nan 8.210 nan 0.000 0.417 482 E N 0.449 120.720 120.200 0.119 0.000 2.204 482 E HA -0.197 4.160 4.350 0.012 0.000 0.194 482 E C 1.753 178.392 176.600 0.065 0.000 0.989 482 E CA 0.869 57.330 56.400 0.102 0.000 0.824 482 E CB 0.046 29.800 29.700 0.090 0.000 0.756 482 E HN 0.489 nan 8.360 nan 0.000 0.477 483 E N -0.100 120.124 120.200 0.040 0.000 2.400 483 E HA 0.021 4.378 4.350 0.012 0.000 0.195 483 E C -0.109 176.478 176.600 -0.023 0.000 1.012 483 E CA 0.426 56.843 56.400 0.029 0.000 0.875 483 E CB 0.676 30.417 29.700 0.069 0.000 0.859 483 E HN -0.001 nan 8.360 nan 0.000 0.498 484 T N 2.531 117.017 114.554 -0.114 0.000 3.149 484 T HA 0.182 4.539 4.350 0.012 0.000 0.373 484 T C -2.264 172.395 174.700 -0.068 0.000 1.364 484 T CA -1.457 60.535 62.100 -0.180 0.000 1.110 484 T CB 1.348 69.904 68.868 -0.519 0.000 1.127 484 T HN -0.044 nan 8.240 nan 0.000 0.576 485 P HA 0.081 nan 4.420 nan 0.000 0.237 485 P C 0.975 178.335 177.300 0.100 0.000 1.178 485 P CA 0.434 63.598 63.100 0.106 0.000 0.766 485 P CB 0.324 32.064 31.700 0.066 0.000 0.876 486 E N -0.606 119.599 120.200 0.008 0.000 2.274 486 E HA -0.071 4.287 4.350 0.012 0.000 0.194 486 E C 1.406 177.969 176.600 -0.063 0.000 0.996 486 E CA 0.594 56.984 56.400 -0.017 0.000 0.840 486 E CB -0.829 28.845 29.700 -0.045 0.000 0.772 486 E HN 0.119 nan 8.360 nan 0.000 0.491 487 L N -0.812 120.323 121.223 -0.147 0.000 2.376 487 L HA -0.032 4.316 4.340 0.012 0.000 0.219 487 L C 0.739 177.396 176.870 -0.355 0.000 1.133 487 L CA 1.294 55.902 54.840 -0.386 0.000 0.816 487 L CB -0.231 41.439 42.059 -0.648 0.000 0.933 487 L HN 0.140 nan 8.230 nan 0.000 0.449 488 F N -1.847 118.156 119.950 0.088 0.000 2.639 488 F HA 0.191 4.726 4.527 0.012 0.000 0.302 488 F C 0.597 176.426 175.800 0.048 0.000 1.097 488 F CA -0.739 57.336 58.000 0.124 0.000 1.294 488 F CB 0.034 39.103 39.000 0.114 0.000 1.027 488 F HN -0.015 nan 8.300 nan 0.000 0.550 489 D N 2.004 122.479 120.400 0.126 0.000 2.514 489 D HA 0.277 4.924 4.640 0.012 0.000 0.267 489 D C -0.324 175.992 176.300 0.026 0.000 1.165 489 D CA -0.381 53.661 54.000 0.070 0.000 0.958 489 D CB -0.026 40.804 40.800 0.050 0.000 0.992 489 D HN 0.208 nan 8.370 nan 0.000 0.506 490 I N -0.743 119.846 120.570 0.032 0.000 2.428 490 I HA 0.537 4.714 4.170 0.012 0.000 0.296 490 I C -0.271 175.848 176.117 0.004 0.000 0.985 490 I CA -0.834 60.471 61.300 0.008 0.000 1.260 490 I CB 1.463 39.471 38.000 0.014 0.000 1.389 490 I HN -0.038 nan 8.210 nan 0.000 0.484 491 Q N 5.683 125.480 119.800 -0.006 0.000 2.259 491 Q HA 0.512 4.859 4.340 0.012 0.000 0.249 491 Q C -2.189 173.806 176.000 -0.007 0.000 0.914 491 Q CA -1.435 54.365 55.803 -0.006 0.000 0.904 491 Q CB 0.062 28.795 28.738 -0.009 0.000 1.213 491 Q HN 0.570 nan 8.270 nan 0.000 0.428 492 P HA -0.011 nan 4.420 nan 0.000 0.269 492 P C -0.842 176.452 177.300 -0.010 0.000 1.209 492 P CA -0.190 62.905 63.100 -0.009 0.000 0.776 492 P CB 0.849 32.543 31.700 -0.011 0.000 0.876 493 S N 2.381 118.075 115.700 -0.010 0.000 2.505 493 S HA 0.360 4.837 4.470 0.012 0.000 0.280 493 S C -0.085 174.510 174.600 -0.009 0.000 1.197 493 S CA -0.719 57.475 58.200 -0.009 0.000 1.138 493 S CB -0.790 62.406 63.200 -0.008 0.000 1.010 493 S HN 0.207 nan 8.310 nan 0.000 0.480 494 L N 3.323 124.540 121.223 -0.010 0.000 2.472 494 L HA 0.463 4.810 4.340 0.012 0.000 0.260 494 L C 0.661 177.528 176.870 -0.006 0.000 1.209 494 L CA 0.393 55.228 54.840 -0.010 0.000 0.817 494 L CB 0.456 42.508 42.059 -0.011 0.000 1.106 494 L HN 0.578 nan 8.230 nan 0.000 0.479 495 D N 0.637 121.035 120.400 -0.003 0.000 2.402 495 D HA 0.180 4.827 4.640 0.012 0.000 0.252 495 D C 0.792 177.094 176.300 0.004 0.000 1.294 495 D CA -0.424 53.576 54.000 0.000 0.000 0.948 495 D CB 1.090 41.892 40.800 0.003 0.000 1.202 495 D HN 0.423 nan 8.370 nan 0.000 0.561 496 R N 2.080 122.580 120.500 0.001 0.000 2.115 496 R HA -0.189 4.159 4.340 0.012 0.000 0.239 496 R C 1.922 178.225 176.300 0.004 0.000 1.133 496 R CA 2.316 58.419 56.100 0.004 0.000 0.935 496 R CB -0.311 29.988 30.300 -0.001 0.000 0.853 496 R HN 0.495 nan 8.270 nan 0.000 0.433 497 G N -1.090 107.705 108.800 -0.008 0.000 2.421 497 G HA2 -0.255 3.713 3.960 0.012 0.000 0.216 497 G HA3 -0.255 3.713 3.960 0.012 0.000 0.216 497 G C 1.365 176.245 174.900 -0.032 0.000 1.171 497 G CA 1.332 46.417 45.100 -0.025 0.000 0.775 497 G HN 0.360 nan 8.290 nan 0.000 0.543 498 T N 0.787 115.335 114.554 -0.011 0.000 2.708 498 T HA -0.072 4.285 4.350 0.012 0.000 0.266 498 T C 2.353 177.076 174.700 0.038 0.000 1.037 498 T CA 1.485 63.586 62.100 0.001 0.000 1.146 498 T CB -0.169 68.711 68.868 0.021 0.000 0.865 498 T HN 0.325 nan 8.240 nan 0.000 0.435 499 K N 0.570 121.008 120.400 0.064 0.000 2.147 499 K HA -0.059 4.268 4.320 0.012 0.000 0.205 499 K C 2.472 179.196 176.600 0.207 0.000 1.049 499 K CA 1.352 57.726 56.287 0.146 0.000 0.936 499 K CB -0.245 32.319 32.500 0.108 0.000 0.722 499 K HN 0.293 nan 8.250 nan 0.000 0.446 500 T N 1.875 116.484 114.554 0.092 0.000 2.777 500 T HA -0.054 4.304 4.350 0.012 0.000 0.266 500 T C 1.860 176.579 174.700 0.031 0.000 1.040 500 T CA 0.858 62.997 62.100 0.065 0.000 1.141 500 T CB -0.120 68.748 68.868 -0.001 0.000 0.868 500 T HN 0.103 nan 8.240 nan 0.000 0.444 501 L N 0.721 121.891 121.223 -0.089 0.000 2.046 501 L HA -0.090 4.257 4.340 0.012 0.000 0.208 501 L C 2.789 179.671 176.870 0.020 0.000 1.077 501 L CA 1.435 56.108 54.840 -0.277 0.000 0.747 501 L CB -0.608 41.164 42.059 -0.477 0.000 0.896 501 L HN 0.341 nan 8.230 nan 0.000 0.432 502 E N -0.603 119.678 120.200 0.134 0.000 2.058 502 E HA -0.291 4.067 4.350 0.012 0.000 0.194 502 E C 2.010 178.765 176.600 0.258 0.000 0.997 502 E CA 1.821 58.373 56.400 0.254 0.000 0.801 502 E CB -0.261 29.633 29.700 0.323 0.000 0.746 502 E HN 0.437 nan 8.360 nan 0.000 0.450 503 Y N 1.353 121.675 120.300 0.037 0.000 2.070 503 Y HA -0.251 4.305 4.550 0.009 0.000 0.279 503 Y C 2.164 177.965 175.900 -0.166 0.000 1.134 503 Y CA 1.784 59.631 58.100 -0.422 0.000 1.113 503 Y CB -0.273 37.858 38.460 -0.549 0.000 0.981 503 Y HN -0.078 nan 8.280 nan 0.000 0.487 504 I N 0.358 120.950 120.570 0.037 0.000 2.248 504 I HA -0.361 3.816 4.170 0.012 0.000 0.248 504 I C 2.640 178.769 176.117 0.021 0.000 1.107 504 I CA 1.594 62.914 61.300 0.032 0.000 1.373 504 I CB -1.054 37.041 38.000 0.158 0.000 1.055 504 I HN 0.468 nan 8.210 nan 0.000 0.418 505 G N 0.235 109.105 108.800 0.118 0.000 2.421 505 G HA2 -0.311 3.656 3.960 0.012 0.000 0.216 505 G HA3 -0.311 3.656 3.960 0.012 0.000 0.216 505 G C 1.394 176.297 174.900 0.005 0.000 1.171 505 G CA 1.165 46.339 45.100 0.123 0.000 0.775 505 G HN 0.476 nan 8.290 nan 0.000 0.543 506 N N -0.346 118.316 118.700 -0.063 0.000 2.058 506 N HA -0.127 4.620 4.740 0.012 0.000 0.191 506 N C 2.290 177.705 175.510 -0.158 0.000 1.037 506 N CA 1.357 54.350 53.050 -0.096 0.000 0.848 506 N CB -0.086 38.334 38.487 -0.111 0.000 1.021 506 N HN 0.135 nan 8.380 nan 0.000 0.422 507 V N 0.563 120.289 119.914 -0.313 0.000 2.407 507 V HA -0.199 3.929 4.120 0.012 0.000 0.248 507 V C 2.207 178.248 176.094 -0.088 0.000 1.055 507 V CA 1.800 63.950 62.300 -0.250 0.000 1.049 507 V CB -0.815 30.769 31.823 -0.399 0.000 0.662 507 V HN 0.451 nan 8.190 nan 0.000 0.455 508 T N 0.178 114.699 114.554 -0.055 0.000 2.720 508 T HA -0.120 4.238 4.350 0.012 0.000 0.268 508 T C 1.757 176.464 174.700 0.012 0.000 1.037 508 T CA 1.852 63.960 62.100 0.014 0.000 1.144 508 T CB -0.205 68.682 68.868 0.031 0.000 0.864 508 T HN 0.381 nan 8.240 nan 0.000 0.444 509 I N 0.646 121.214 120.570 -0.005 0.000 2.585 509 I HA 0.033 4.210 4.170 0.012 0.000 0.254 509 I C 1.528 177.647 176.117 0.003 0.000 1.129 509 I CA 0.766 62.069 61.300 0.004 0.000 1.455 509 I CB 0.041 38.046 38.000 0.008 0.000 1.111 509 I HN 0.109 nan 8.210 nan 0.000 0.433 510 N N 0.550 119.241 118.700 -0.014 0.000 2.200 510 N HA 0.227 4.974 4.740 0.012 0.000 0.224 510 N C 0.583 176.080 175.510 -0.023 0.000 1.179 510 N CA 0.660 53.701 53.050 -0.015 0.000 0.877 510 N CB 1.147 39.623 38.487 -0.019 0.000 1.072 510 N HN 0.328 nan 8.380 nan 0.000 0.519 511 G N 1.495 110.285 108.800 -0.016 0.000 2.752 511 G HA2 -0.277 3.691 3.960 0.012 0.000 0.234 511 G HA3 -0.277 3.691 3.960 0.012 0.000 0.234 511 G C -0.914 173.992 174.900 0.010 0.000 1.367 511 G CA -0.525 44.576 45.100 0.003 0.000 0.879 511 G HN 0.252 nan 8.290 nan 0.000 0.563 512 F N 2.115 121.982 119.950 -0.137 0.000 2.540 512 F HA 0.668 5.207 4.527 0.020 0.000 0.317 512 F C -1.497 174.269 175.800 -0.057 0.000 1.104 512 F CA -1.668 56.266 58.000 -0.110 0.000 0.913 512 F CB 2.138 41.060 39.000 -0.131 0.000 1.170 512 F HN 0.572 nan 8.300 nan 0.000 0.450 516 V N 1.854 121.705 119.914 -0.105 0.000 2.347 516 V HA 0.231 4.359 4.120 0.012 0.000 0.280 516 V C 0.622 176.631 176.094 -0.141 0.000 1.021 516 V CA -0.763 61.387 62.300 -0.250 0.000 0.847 516 V CB 1.941 33.546 31.823 -0.364 0.000 0.990 516 V HN 0.061 nan 8.190 nan 0.000 0.444 517 E N 5.132 125.262 120.200 -0.117 0.000 2.463 517 E HA -0.048 4.310 4.350 0.012 0.000 0.248 517 E C 0.182 176.800 176.600 0.030 0.000 1.106 517 E CA -0.218 56.160 56.400 -0.035 0.000 0.946 517 E CB 0.272 29.959 29.700 -0.023 0.000 0.971 517 E HN 0.384 nan 8.360 nan 0.000 0.478 518 K N 5.024 125.438 120.400 0.023 0.000 2.258 518 K HA -0.131 4.196 4.320 0.012 0.000 0.266 518 K C 0.212 176.865 176.600 0.087 0.000 1.204 518 K CA 0.778 57.099 56.287 0.057 0.000 1.206 518 K CB -0.243 32.278 32.500 0.034 0.000 0.854 518 K HN 0.547 nan 8.250 nan 0.000 0.453 519 R N 3.289 123.889 120.500 0.166 0.000 2.740 519 R HA 0.465 4.812 4.340 0.012 0.000 0.273 519 R C -2.820 173.563 176.300 0.137 0.000 0.998 519 R CA -1.592 54.583 56.100 0.125 0.000 0.900 519 R CB 1.312 31.672 30.300 0.099 0.000 1.223 519 R HN 0.088 nan 8.270 nan 0.000 0.466 520 P HA -0.038 nan 4.420 nan 0.000 0.264 520 P C -0.885 176.324 177.300 -0.153 0.000 1.183 520 P CA -0.012 63.078 63.100 -0.016 0.000 0.763 520 P CB 0.539 32.210 31.700 -0.048 0.000 0.807 521 K N 4.547 124.844 120.400 -0.172 0.000 2.440 521 K HA 0.017 4.344 4.320 0.012 0.000 0.275 521 K C -2.016 174.270 176.600 -0.524 0.000 1.082 521 K CA -0.846 55.157 56.287 -0.472 0.000 1.135 521 K CB -0.529 31.872 32.500 -0.165 0.000 0.864 521 K HN 0.303 nan 8.250 nan 0.000 0.479 522 P HA 0.018 nan 4.420 nan 0.000 0.271 522 P C -1.081 175.757 177.300 -0.770 0.000 1.218 522 P CA -0.278 62.344 63.100 -0.796 0.000 0.780 522 P CB 0.605 31.646 31.700 -1.098 0.000 0.901 523 D N 2.293 122.395 120.400 -0.496 0.000 2.494 523 D HA 0.103 4.750 4.640 0.012 0.000 0.217 523 D C -0.434 175.717 176.300 -0.248 0.000 1.153 523 D CA -0.315 53.513 54.000 -0.288 0.000 0.954 523 D CB -0.534 40.174 40.800 -0.152 0.000 1.034 523 D HN 0.190 nan 8.370 nan 0.000 0.518 524 Y N 0.919 121.215 120.300 -0.006 0.000 2.385 524 Y HA 0.116 4.673 4.550 0.011 0.000 0.346 524 Y C 1.406 177.331 175.900 0.042 0.000 1.270 524 Y CA -0.443 57.688 58.100 0.052 0.000 1.472 524 Y CB 0.386 38.953 38.460 0.178 0.000 1.354 524 Y HN 0.205 nan 8.280 nan 0.000 0.611 525 E N 1.096 121.422 120.200 0.211 0.000 2.452 525 E HA -0.059 4.299 4.350 0.012 0.000 0.261 525 E C 0.442 177.117 176.600 0.126 0.000 0.987 525 E CA 0.006 56.477 56.400 0.118 0.000 0.926 525 E CB 0.304 30.049 29.700 0.076 0.000 0.934 525 E HN 0.456 nan 8.360 nan 0.000 0.452 526 L N 3.022 124.295 121.223 0.084 0.000 1.943 526 L HA -0.102 4.245 4.340 0.012 0.000 0.215 526 L C 0.758 177.666 176.870 0.063 0.000 1.074 526 L CA 2.065 56.951 54.840 0.077 0.000 0.759 526 L CB -1.792 40.297 42.059 0.050 0.000 0.888 526 L HN 0.812 nan 8.230 nan 0.000 0.433 527 A N 0.480 123.322 122.820 0.038 0.000 2.060 527 A HA -0.137 4.191 4.320 0.012 0.000 0.267 527 A C 0.882 178.496 177.584 0.050 0.000 1.378 527 A CA 0.483 52.536 52.037 0.026 0.000 0.733 527 A CB -1.925 17.075 19.000 -0.001 0.000 1.188 527 A HN 0.528 nan 8.150 nan 0.000 0.311 528 S N 0.852 116.583 115.700 0.051 0.000 2.579 528 S HA 0.599 5.076 4.470 0.012 0.000 0.275 528 S C 0.341 174.992 174.600 0.085 0.000 1.345 528 S CA -0.132 58.105 58.200 0.062 0.000 1.031 528 S CB 1.029 64.254 63.200 0.040 0.000 0.892 528 S HN 0.785 nan 8.310 nan 0.000 0.529 529 I N 2.407 123.029 120.570 0.087 0.000 2.342 529 I HA 0.312 4.489 4.170 0.012 0.000 0.291 529 I C -2.143 173.980 176.117 0.009 0.000 1.010 529 I CA -2.207 59.143 61.300 0.083 0.000 1.308 529 I CB 0.666 38.710 38.000 0.074 0.000 1.400 529 I HN 0.458 nan 8.210 nan 0.000 0.488 530 P HA 0.255 nan 4.420 nan 0.000 0.281 530 P C -0.597 176.670 177.300 -0.056 0.000 1.252 530 P CA -0.319 62.763 63.100 -0.030 0.000 0.778 530 P CB 0.891 32.576 31.700 -0.026 0.000 0.895 531 T N -0.774 113.763 114.554 -0.029 0.000 2.916 531 T HA 0.707 5.065 4.350 0.012 0.000 0.292 531 T C -0.739 173.958 174.700 -0.005 0.000 1.064 531 T CA -0.766 61.319 62.100 -0.024 0.000 1.011 531 T CB 1.174 70.031 68.868 -0.019 0.000 1.152 531 T HN 0.076 nan 8.240 nan 0.000 0.510 532 V N 2.172 122.088 119.914 0.004 0.000 2.709 532 V HA 0.601 4.728 4.120 0.012 0.000 0.308 532 V C 0.487 176.575 176.094 -0.009 0.000 1.062 532 V CA -0.958 61.350 62.300 0.013 0.000 0.901 532 V CB 2.075 33.931 31.823 0.055 0.000 1.003 532 V HN 1.283 nan 8.190 nan 0.000 0.425 533 S N 2.606 118.290 115.700 -0.026 0.000 2.552 533 S HA 0.012 4.490 4.470 0.012 0.000 0.289 533 S C 1.417 175.973 174.600 -0.073 0.000 1.304 533 S CA 0.292 58.465 58.200 -0.046 0.000 1.063 533 S CB 0.971 64.141 63.200 -0.051 0.000 0.848 533 S HN 1.258 nan 8.310 nan 0.000 0.499 534 S N 2.446 118.108 115.700 -0.062 0.000 2.428 534 S HA -0.135 4.342 4.470 0.012 0.000 0.230 534 S C 1.901 176.435 174.600 -0.108 0.000 1.014 534 S CA 0.760 58.917 58.200 -0.072 0.000 0.957 534 S CB -1.080 62.092 63.200 -0.047 0.000 0.784 534 S HN 1.090 nan 8.310 nan 0.000 0.499 535 S N 1.789 117.425 115.700 -0.106 0.000 2.406 535 S HA 0.012 4.489 4.470 0.012 0.000 0.228 535 S C 1.834 176.320 174.600 -0.190 0.000 1.020 535 S CA 0.803 58.931 58.200 -0.120 0.000 0.965 535 S CB -0.473 62.675 63.200 -0.086 0.000 0.798 535 S HN 0.565 nan 8.310 nan 0.000 0.488 536 K N 1.323 121.583 120.400 -0.233 0.000 2.001 536 K HA 0.087 4.414 4.320 0.012 0.000 0.208 536 K C 0.505 176.638 176.600 -0.778 0.000 1.048 536 K CA 0.752 56.800 56.287 -0.400 0.000 0.932 536 K CB -0.420 31.901 32.500 -0.299 0.000 0.715 536 K HN 0.416 nan 8.250 nan 0.000 0.437 537 I N 2.879 123.098 120.570 -0.585 0.000 3.115 537 I HA -0.123 4.054 4.170 0.012 0.000 0.298 537 I C -0.758 175.145 176.117 -0.358 0.000 1.162 537 I CA 0.940 61.926 61.300 -0.525 0.000 1.648 537 I CB -1.093 36.841 38.000 -0.110 0.000 1.551 537 I HN 0.243 nan 8.210 nan 0.000 0.764 538 F N 1.912 121.855 119.950 -0.012 0.000 2.185 538 F HA -0.178 4.356 4.527 0.012 0.000 0.318 538 F C 0.054 175.840 175.800 -0.024 0.000 1.100 538 F CA -0.603 57.391 58.000 -0.010 0.000 0.910 538 F CB -0.401 38.599 39.000 -0.000 0.000 4.126 538 F HN 0.310 nan 8.300 nan 0.000 0.142 539 S N 2.076 117.888 115.700 0.187 0.000 2.667 539 S HA 0.744 5.222 4.470 0.012 0.000 0.304 539 S C -0.018 174.583 174.600 0.002 0.000 1.135 539 S CA 0.321 58.555 58.200 0.057 0.000 1.125 539 S CB 0.850 64.065 63.200 0.025 0.000 0.996 539 S HN 1.029 nan 8.310 nan 0.000 0.474 540 G N 1.605 110.388 108.800 -0.028 0.000 3.008 540 G HA2 0.360 4.327 3.960 0.012 0.000 0.181 540 G HA3 0.360 4.327 3.960 0.012 0.000 0.181 540 G C 1.081 175.872 174.900 -0.182 0.000 1.309 540 G CA 0.191 45.240 45.100 -0.086 0.000 1.009 540 G HN 0.671 nan 8.290 nan 0.000 0.584 541 T N -1.578 112.847 114.554 -0.215 0.000 3.035 541 T HA -0.002 4.355 4.350 0.012 0.000 0.268 541 T C 1.960 176.503 174.700 -0.262 0.000 1.109 541 T CA 1.257 63.158 62.100 -0.332 0.000 1.119 541 T CB 0.015 68.677 68.868 -0.344 0.000 0.900 541 T HN 0.234 nan 8.240 nan 0.000 0.503 542 K N 1.221 121.512 120.400 -0.182 0.000 2.025 542 K HA -0.011 4.316 4.320 0.012 0.000 0.207 542 K C 2.369 178.883 176.600 -0.144 0.000 1.049 542 K CA 1.380 57.574 56.287 -0.155 0.000 0.933 542 K CB -0.430 31.993 32.500 -0.128 0.000 0.714 542 K HN 0.324 nan 8.250 nan 0.000 0.438 543 Q N 0.552 120.274 119.800 -0.129 0.000 2.226 543 Q HA -0.088 4.260 4.340 0.012 0.000 0.204 543 Q C 1.873 177.787 176.000 -0.143 0.000 0.975 543 Q CA 0.768 56.504 55.803 -0.113 0.000 0.866 543 Q CB -0.181 28.506 28.738 -0.084 0.000 0.915 543 Q HN 0.174 nan 8.270 nan 0.000 0.440 544 L N -0.573 120.526 121.223 -0.208 0.000 2.156 544 L HA -0.052 4.296 4.340 0.012 0.000 0.208 544 L C 1.737 178.497 176.870 -0.184 0.000 1.095 544 L CA 1.004 55.692 54.840 -0.253 0.000 0.770 544 L CB -0.351 41.431 42.059 -0.461 0.000 0.914 544 L HN 0.287 nan 8.230 nan 0.000 0.439 545 L N -0.566 120.558 121.223 -0.165 0.000 2.027 545 L HA -0.154 4.193 4.340 0.012 0.000 0.206 545 L C 1.961 178.776 176.870 -0.092 0.000 1.074 545 L CA 1.847 56.615 54.840 -0.119 0.000 0.745 545 L CB -0.995 40.994 42.059 -0.116 0.000 0.898 545 L HN 0.262 nan 8.230 nan 0.000 0.433 546 D N -0.293 120.050 120.400 -0.094 0.000 2.182 546 D HA -0.193 4.454 4.640 0.012 0.000 0.201 546 D C 2.033 178.294 176.300 -0.064 0.000 0.986 546 D CA 1.355 55.311 54.000 -0.074 0.000 0.847 546 D CB 0.101 40.856 40.800 -0.076 0.000 0.942 546 D HN 0.572 nan 8.370 nan 0.000 0.467 547 E N -0.306 119.849 120.200 -0.076 0.000 2.021 547 E HA -0.068 4.289 4.350 0.012 0.000 0.189 547 E C 1.917 178.489 176.600 -0.048 0.000 0.980 547 E CA 0.888 57.251 56.400 -0.062 0.000 0.803 547 E CB 0.398 30.054 29.700 -0.074 0.000 0.766 547 E HN 0.209 nan 8.360 nan 0.000 0.449 548 V N -2.812 117.070 119.914 -0.053 0.000 3.528 548 V HA 0.469 4.596 4.120 0.012 0.000 0.294 548 V C 0.610 176.691 176.094 -0.021 0.000 1.404 548 V CA 0.065 62.349 62.300 -0.027 0.000 1.065 548 V CB -0.219 31.597 31.823 -0.012 0.000 0.904 548 V HN 0.314 nan 8.190 nan 0.000 0.435 549 G N 1.450 110.227 108.800 -0.039 0.000 2.855 549 G HA2 -0.154 3.814 3.960 0.012 0.000 0.352 549 G HA3 -0.154 3.814 3.960 0.012 0.000 0.352 549 G C -1.541 173.318 174.900 -0.069 0.000 1.415 549 G CA -0.072 45.000 45.100 -0.045 0.000 0.871 549 G HN 0.346 nan 8.290 nan 0.000 0.543 550 P HA 0.029 nan 4.420 nan 0.000 0.220 550 P C 1.781 178.941 177.300 -0.234 0.000 1.152 550 P CA 1.321 64.242 63.100 -0.299 0.000 0.812 550 P CB 0.108 31.413 31.700 -0.659 0.000 0.792 551 K N 0.120 120.477 120.400 -0.071 0.000 2.097 551 K HA 0.003 4.331 4.320 0.012 0.000 0.205 551 K C 2.162 178.820 176.600 0.096 0.000 1.050 551 K CA 1.654 58.004 56.287 0.105 0.000 0.938 551 K CB -1.171 31.404 32.500 0.125 0.000 0.718 551 K HN 0.135 nan 8.250 nan 0.000 0.442 552 G N 0.074 108.911 108.800 0.062 0.000 2.464 552 G HA2 -0.105 3.862 3.960 0.012 0.000 0.217 552 G HA3 -0.105 3.862 3.960 0.012 0.000 0.217 552 G C 1.593 176.573 174.900 0.133 0.000 1.138 552 G CA 0.404 45.555 45.100 0.085 0.000 0.793 552 G HN 0.141 nan 8.290 nan 0.000 0.539 553 V N 1.481 121.460 119.914 0.108 0.000 2.358 553 V HA -0.110 4.018 4.120 0.012 0.000 0.246 553 V C 3.276 179.570 176.094 0.333 0.000 1.047 553 V CA 1.903 64.317 62.300 0.189 0.000 1.035 553 V CB -0.669 31.230 31.823 0.128 0.000 0.658 553 V HN 0.445 nan 8.190 nan 0.000 0.452 554 A N -0.096 122.868 122.820 0.240 0.000 1.877 554 A HA -0.193 4.134 4.320 0.012 0.000 0.216 554 A C 2.177 179.867 177.584 0.176 0.000 1.186 554 A CA 1.630 53.797 52.037 0.217 0.000 0.620 554 A CB -0.430 18.694 19.000 0.206 0.000 0.822 554 A HN 0.530 nan 8.150 nan 0.000 0.443 555 E N -1.209 119.092 120.200 0.168 0.000 2.110 555 E HA -0.237 4.120 4.350 0.012 0.000 0.193 555 E C 1.719 178.409 176.600 0.150 0.000 0.988 555 E CA 1.302 57.781 56.400 0.130 0.000 0.804 555 E CB -0.476 29.295 29.700 0.118 0.000 0.745 555 E HN 0.912 nan 8.360 nan 0.000 0.458 556 W N 1.702 123.025 121.300 0.039 0.000 2.381 556 W HA -0.182 4.486 4.660 0.012 0.000 0.301 556 W C 2.048 178.584 176.519 0.029 0.000 1.205 556 W CA 1.325 58.692 57.345 0.037 0.000 1.285 556 W CB -0.236 29.254 29.460 0.049 0.000 1.133 556 W HN -0.187 nan 8.180 nan 0.000 0.521 557 V N 2.495 122.471 119.914 0.103 0.000 2.261 557 V HA -0.363 3.765 4.120 0.012 0.000 0.246 557 V C 2.494 178.427 176.094 -0.269 0.000 1.047 557 V CA 2.745 64.944 62.300 -0.168 0.000 1.015 557 V CB -1.260 30.560 31.823 -0.005 0.000 0.642 557 V HN 0.357 nan 8.190 nan 0.000 0.446 558 K N 0.564 120.883 120.400 -0.136 0.000 2.519 558 K HA -0.201 4.127 4.320 0.012 0.000 0.196 558 K C 1.941 178.450 176.600 -0.152 0.000 1.041 558 K CA 1.661 57.872 56.287 -0.127 0.000 0.954 558 K CB -0.187 32.277 32.500 -0.061 0.000 0.774 558 K HN 0.355 nan 8.250 nan 0.000 0.480 559 K N 0.520 120.796 120.400 -0.207 0.000 2.314 559 K HA 0.030 4.357 4.320 0.012 0.000 0.198 559 K C 0.007 176.443 176.600 -0.272 0.000 1.045 559 K CA 0.091 56.256 56.287 -0.203 0.000 0.988 559 K CB 0.440 32.833 32.500 -0.178 0.000 0.783 559 K HN 0.122 nan 8.250 nan 0.000 0.484 560 Q N 1.383 120.937 119.800 -0.411 0.000 2.286 560 Q HA -0.054 4.293 4.340 0.012 0.000 0.267 560 Q C 0.019 175.875 176.000 -0.241 0.000 1.028 560 Q CA 0.475 56.037 55.803 -0.401 0.000 0.901 560 Q CB 1.501 29.884 28.738 -0.592 0.000 1.183 560 Q HN 0.237 nan 8.270 nan 0.000 0.392 561 D N 2.122 122.422 120.400 -0.168 0.000 2.117 561 D HA -0.133 4.515 4.640 0.012 0.000 0.198 561 D C -0.491 175.749 176.300 -0.101 0.000 0.982 561 D CA 0.825 54.759 54.000 -0.110 0.000 0.828 561 D CB 0.444 41.202 40.800 -0.070 0.000 0.967 561 D HN 0.416 nan 8.370 nan 0.000 0.464 562 D N -0.162 120.179 120.400 -0.099 0.000 2.400 562 D HA 0.050 4.697 4.640 0.012 0.000 0.238 562 D C -0.290 175.925 176.300 -0.142 0.000 1.157 562 D CA -0.135 53.809 54.000 -0.093 0.000 0.889 562 D CB 1.157 41.917 40.800 -0.066 0.000 1.199 562 D HN -0.128 nan 8.370 nan 0.000 0.436 563 V N 2.397 122.221 119.914 -0.150 0.000 2.488 563 V HA 0.147 4.274 4.120 0.012 0.000 0.277 563 V C 0.465 176.464 176.094 -0.159 0.000 1.046 563 V CA -0.491 61.707 62.300 -0.171 0.000 0.986 563 V CB 0.363 32.082 31.823 -0.173 0.000 0.989 563 V HN 0.252 nan 8.190 nan 0.000 0.475 564 L N 6.119 127.241 121.223 -0.167 0.000 2.334 564 L HA 0.585 4.932 4.340 0.012 0.000 0.277 564 L C -0.239 176.566 176.870 -0.108 0.000 1.075 564 L CA -0.567 54.218 54.840 -0.091 0.000 0.804 564 L CB 1.274 43.304 42.059 -0.050 0.000 1.174 564 L HN 0.590 nan 8.230 nan 0.000 0.438 565 L N 0.181 121.397 121.223 -0.013 0.000 2.334 565 L HA 0.736 5.083 4.340 0.012 0.000 0.273 565 L C -0.200 176.685 176.870 0.025 0.000 1.013 565 L CA -0.082 54.745 54.840 -0.022 0.000 0.816 565 L CB 1.882 43.952 42.059 0.018 0.000 1.278 565 L HN 0.326 nan 8.230 nan 0.000 0.431 566 T N 1.658 116.221 114.554 0.016 0.000 2.771 566 T HA 0.339 4.696 4.350 0.012 0.000 0.281 566 T C -0.901 173.727 174.700 -0.121 0.000 0.982 566 T CA -0.068 62.050 62.100 0.030 0.000 0.978 566 T CB 0.959 69.977 68.868 0.249 0.000 0.930 566 T HN 0.871 nan 8.240 nan 0.000 0.447 567 D N 1.264 121.448 120.400 -0.360 0.000 2.210 567 D HA 0.363 5.010 4.640 0.012 0.000 0.249 567 D C 1.049 177.148 176.300 -0.335 0.000 1.062 567 D CA -0.419 53.287 54.000 -0.490 0.000 0.891 567 D CB 1.005 41.131 40.800 -1.123 0.000 1.186 567 D HN 0.528 nan 8.370 nan 0.000 0.432 568 T N -1.123 113.285 114.554 -0.242 0.000 3.084 568 T HA 0.092 4.450 4.350 0.012 0.000 0.270 568 T C 1.337 175.937 174.700 -0.168 0.000 1.008 568 T CA -0.246 61.763 62.100 -0.152 0.000 0.900 568 T CB 0.038 68.866 68.868 -0.066 0.000 1.084 568 T HN 0.311 nan 8.240 nan 0.000 0.538 569 T N 1.917 116.294 114.554 -0.294 0.000 2.759 569 T HA -0.008 4.349 4.350 0.012 0.000 0.269 569 T C 0.937 175.523 174.700 -0.191 0.000 1.042 569 T CA 1.097 62.974 62.100 -0.371 0.000 1.140 569 T CB -0.456 68.080 68.868 -0.553 0.000 0.864 569 T HN 0.362 nan 8.240 nan 0.000 0.455 570 F N 0.833 120.685 119.950 -0.164 0.000 2.748 570 F HA 0.302 4.836 4.527 0.012 0.000 0.299 570 F C 2.149 178.029 175.800 0.133 0.000 1.154 570 F CA -0.126 57.830 58.000 -0.072 0.000 1.446 570 F CB -0.422 38.534 39.000 -0.073 0.000 1.112 570 F HN 0.067 nan 8.300 nan 0.000 0.584 571 R N -0.503 120.147 120.500 0.250 0.000 4.999 571 R HA 0.034 4.381 4.340 0.012 0.000 0.115 571 R C 1.395 177.595 176.300 -0.167 0.000 1.404 571 R CA 0.345 56.496 56.100 0.086 0.000 0.925 571 R CB -0.687 29.651 30.300 0.064 0.000 1.282 571 R HN -0.086 nan 8.270 nan 0.000 0.405 572 D N 1.202 121.553 120.400 -0.081 0.000 2.144 572 D HA -0.004 4.643 4.640 0.012 0.000 0.199 572 D C 1.613 177.860 176.300 -0.087 0.000 0.984 572 D CA 1.634 55.592 54.000 -0.070 0.000 0.834 572 D CB -0.008 40.808 40.800 0.028 0.000 0.955 572 D HN 0.421 nan 8.370 nan 0.000 0.465 573 A N 0.509 123.282 122.820 -0.078 0.000 1.883 573 A HA -0.220 4.107 4.320 0.012 0.000 0.217 573 A C 2.062 179.609 177.584 -0.062 0.000 1.186 573 A CA 2.053 54.043 52.037 -0.078 0.000 0.624 573 A CB -1.080 17.845 19.000 -0.125 0.000 0.822 573 A HN 0.610 nan 8.150 nan 0.000 0.444 574 H N -1.341 117.637 119.070 -0.154 0.000 2.551 574 H HA 0.092 4.655 4.556 0.012 0.000 0.266 574 H C 1.770 177.040 175.328 -0.096 0.000 0.964 574 H CA 1.033 56.987 56.048 -0.156 0.000 1.180 574 H CB -0.430 29.186 29.762 -0.243 0.000 1.408 574 H HN 0.665 nan 8.280 nan 0.000 0.563 575 Q N 1.306 120.792 119.800 -0.523 0.000 2.167 575 Q HA -0.079 4.268 4.340 0.012 0.000 0.202 575 Q C 1.605 177.528 176.000 -0.128 0.000 0.970 575 Q CA 1.488 57.095 55.803 -0.326 0.000 0.855 575 Q CB 0.352 28.932 28.738 -0.264 0.000 0.911 575 Q HN 0.398 nan 8.270 nan 0.000 0.438 576 S N 0.325 115.982 115.700 -0.072 0.000 2.336 576 S HA 0.005 4.482 4.470 0.012 0.000 0.216 576 S C 1.762 176.350 174.600 -0.021 0.000 1.032 576 S CA 0.768 58.959 58.200 -0.015 0.000 0.973 576 S CB -0.070 63.164 63.200 0.058 0.000 0.888 576 S HN 0.349 nan 8.310 nan 0.000 0.455 577 L N 0.494 121.710 121.223 -0.012 0.000 2.418 577 L HA 0.263 4.610 4.340 0.012 0.000 0.218 577 L C 0.682 177.572 176.870 0.034 0.000 1.125 577 L CA 0.687 55.531 54.840 0.008 0.000 0.835 577 L CB -0.128 41.938 42.059 0.011 0.000 0.953 577 L HN 0.192 nan 8.230 nan 0.000 0.454 578 L N -0.414 120.829 121.223 0.032 0.000 3.431 578 L HA 0.394 4.741 4.340 0.012 0.000 0.316 578 L C 0.879 177.783 176.870 0.057 0.000 1.305 578 L CA -0.291 54.600 54.840 0.086 0.000 0.995 578 L CB 0.584 42.677 42.059 0.057 0.000 1.411 578 L HN 0.078 nan 8.230 nan 0.000 0.610 579 A N -0.206 122.622 122.820 0.013 0.000 2.771 579 A HA -0.299 4.029 4.320 0.012 0.000 0.294 579 A C 1.144 178.675 177.584 -0.088 0.000 1.500 579 A CA 1.171 53.185 52.037 -0.038 0.000 0.829 579 A CB -2.096 16.895 19.000 -0.014 0.000 0.998 579 A HN 0.703 nan 8.150 nan 0.000 0.526 580 T N -2.508 111.995 114.554 -0.087 0.000 4.331 580 T HA -0.246 4.111 4.350 0.012 0.000 0.323 580 T C 0.715 175.478 174.700 0.105 0.000 0.836 580 T CA 1.434 63.486 62.100 -0.080 0.000 1.985 580 T CB -1.144 67.656 68.868 -0.114 0.000 1.919 580 T HN 0.877 nan 8.240 nan 0.000 0.905 581 R N 0.101 120.614 120.500 0.022 0.000 2.313 581 R HA 0.225 4.573 4.340 0.012 0.000 0.199 581 R C 0.884 177.190 176.300 0.009 0.000 0.958 581 R CA 0.011 56.092 56.100 -0.031 0.000 1.047 581 R CB -0.151 29.973 30.300 -0.292 0.000 0.955 581 R HN 0.489 nan 8.270 nan 0.000 0.481 582 V N 3.420 123.188 119.914 -0.242 0.000 2.485 582 V HA -0.021 4.106 4.120 0.012 0.000 0.287 582 V C 0.954 176.958 176.094 -0.150 0.000 1.022 582 V CA 0.279 62.246 62.300 -0.554 0.000 1.067 582 V CB 0.102 31.351 31.823 -0.957 0.000 0.967 582 V HN 0.125 nan 8.190 nan 0.000 0.479 583 R N 3.173 123.729 120.500 0.093 0.000 2.582 583 R HA 0.229 4.576 4.340 0.012 0.000 0.271 583 R C 1.491 177.770 176.300 -0.035 0.000 1.078 583 R CA -0.262 55.834 56.100 -0.006 0.000 1.127 583 R CB 0.296 30.535 30.300 -0.102 0.000 1.038 583 R HN 0.723 nan 8.270 nan 0.000 0.500 584 T N 1.370 115.872 114.554 -0.087 0.000 2.721 584 T HA -0.238 4.119 4.350 0.012 0.000 0.268 584 T C 1.662 176.322 174.700 -0.068 0.000 1.038 584 T CA 1.798 63.844 62.100 -0.091 0.000 1.145 584 T CB -0.144 68.671 68.868 -0.088 0.000 0.858 584 T HN 0.442 nan 8.240 nan 0.000 0.459 585 K N 1.474 121.837 120.400 -0.063 0.000 2.063 585 K HA -0.132 4.195 4.320 0.012 0.000 0.208 585 K C 1.802 178.421 176.600 0.031 0.000 1.048 585 K CA 1.616 57.881 56.287 -0.037 0.000 0.928 585 K CB -0.398 32.057 32.500 -0.075 0.000 0.713 585 K HN 0.289 nan 8.250 nan 0.000 0.442 586 D N -0.522 119.940 120.400 0.102 0.000 2.234 586 D HA -0.049 4.598 4.640 0.012 0.000 0.205 586 D C 1.831 178.237 176.300 0.176 0.000 0.962 586 D CA 0.929 55.044 54.000 0.191 0.000 0.855 586 D CB 0.056 41.038 40.800 0.303 0.000 0.951 586 D HN 0.337 nan 8.370 nan 0.000 0.500 587 M N 0.095 119.758 119.600 0.105 0.000 2.160 587 M HA -0.054 4.433 4.480 0.012 0.000 0.264 587 M C 2.142 178.363 176.300 -0.130 0.000 1.073 587 M CA 0.738 55.995 55.300 -0.071 0.000 1.142 587 M CB 0.133 32.457 32.600 -0.460 0.000 1.358 587 M HN -0.079 nan 8.290 nan 0.000 0.422 588 I N 1.088 121.596 120.570 -0.103 0.000 2.361 588 I HA -0.281 3.897 4.170 0.012 0.000 0.251 588 I C 1.712 177.806 176.117 -0.037 0.000 1.133 588 I CA 1.651 62.913 61.300 -0.064 0.000 1.413 588 I CB -1.206 36.765 38.000 -0.048 0.000 1.073 588 I HN 0.454 nan 8.210 nan 0.000 0.424 589 N N 0.722 119.404 118.700 -0.030 0.000 2.166 589 N HA -0.185 4.563 4.740 0.012 0.000 0.186 589 N C 1.222 176.621 175.510 -0.186 0.000 1.019 589 N CA 1.176 54.195 53.050 -0.053 0.000 0.856 589 N CB 0.039 38.552 38.487 0.044 0.000 0.993 589 N HN 0.330 nan 8.380 nan 0.000 0.426 590 I N -1.996 118.414 120.570 -0.267 0.000 3.976 590 I HA 0.354 4.532 4.170 0.012 0.000 0.337 590 I C 1.577 177.692 176.117 -0.002 0.000 1.359 590 I CA -0.275 60.825 61.300 -0.332 0.000 1.098 590 I CB -0.038 37.567 38.000 -0.659 0.000 1.027 590 I HN -0.133 nan 8.210 nan 0.000 0.394 591 A N 1.589 124.451 122.820 0.071 0.000 1.883 591 A HA -0.226 4.102 4.320 0.012 0.000 0.217 591 A C 2.564 180.242 177.584 0.157 0.000 1.186 591 A CA 2.443 54.591 52.037 0.185 0.000 0.624 591 A CB -1.051 18.018 19.000 0.115 0.000 0.822 591 A HN 0.580 nan 8.150 nan 0.000 0.444 592 S N -0.287 115.460 115.700 0.078 0.000 2.368 592 S HA -0.207 4.270 4.470 0.012 0.000 0.224 592 S C 1.982 176.628 174.600 0.077 0.000 1.029 592 S CA 1.848 60.092 58.200 0.074 0.000 0.988 592 S CB -0.282 62.937 63.200 0.031 0.000 0.838 592 S HN 0.437 nan 8.310 nan 0.000 0.462 593 K N 1.368 121.784 120.400 0.027 0.000 2.026 593 K HA 0.002 4.330 4.320 0.012 0.000 0.208 593 K C 2.142 178.765 176.600 0.038 0.000 1.048 593 K CA 2.203 58.494 56.287 0.007 0.000 0.929 593 K CB -1.359 31.100 32.500 -0.069 0.000 0.713 593 K HN 0.459 nan 8.250 nan 0.000 0.439 594 T N 0.639 115.253 114.554 0.100 0.000 2.720 594 T HA -0.176 4.181 4.350 0.012 0.000 0.268 594 T C 1.815 176.645 174.700 0.217 0.000 1.037 594 T CA 1.554 63.770 62.100 0.194 0.000 1.144 594 T CB -0.609 68.452 68.868 0.321 0.000 0.864 594 T HN 0.395 nan 8.240 nan 0.000 0.444 595 A N 1.559 124.509 122.820 0.217 0.000 1.883 595 A HA -0.206 4.121 4.320 0.012 0.000 0.217 595 A C 2.140 179.832 177.584 0.179 0.000 1.186 595 A CA 2.232 54.409 52.037 0.233 0.000 0.624 595 A CB -0.880 18.272 19.000 0.253 0.000 0.822 595 A HN 0.514 nan 8.150 nan 0.000 0.444 596 D N -0.711 119.792 120.400 0.172 0.000 2.084 596 D HA -0.105 4.542 4.640 0.012 0.000 0.196 596 D C 1.883 178.112 176.300 -0.118 0.000 0.985 596 D CA 1.522 55.563 54.000 0.070 0.000 0.826 596 D CB -0.163 40.739 40.800 0.170 0.000 0.978 596 D HN 0.128 nan 8.370 nan 0.000 0.456 597 V N -0.214 119.611 119.914 -0.149 0.000 2.282 597 V HA -0.223 3.905 4.120 0.012 0.000 0.249 597 V C 1.631 177.446 176.094 -0.465 0.000 1.057 597 V CA 1.507 63.582 62.300 -0.375 0.000 1.032 597 V CB -0.615 30.862 31.823 -0.577 0.000 0.645 597 V HN 0.224 nan 8.190 nan 0.000 0.447 598 F N 0.550 120.470 119.950 -0.049 0.000 2.668 598 F HA 0.181 4.715 4.527 0.012 0.000 0.297 598 F C 1.872 177.633 175.800 -0.065 0.000 1.124 598 F CA -0.309 57.661 58.000 -0.050 0.000 1.353 598 F CB -0.410 38.563 39.000 -0.045 0.000 0.992 598 F HN 0.157 nan 8.300 nan 0.000 0.524 599 K N -0.638 119.740 120.400 -0.036 0.000 2.228 599 K HA -0.217 4.110 4.320 0.012 0.000 0.205 599 K C 0.293 176.851 176.600 -0.071 0.000 1.045 599 K CA 2.077 58.266 56.287 -0.165 0.000 0.931 599 K CB -0.185 32.006 32.500 -0.515 0.000 0.727 599 K HN 0.155 nan 8.250 nan 0.000 0.458 600 D N 0.702 121.105 120.400 0.005 0.000 2.440 600 D HA 0.121 4.768 4.640 0.012 0.000 0.216 600 D C 0.486 176.878 176.300 0.152 0.000 1.150 600 D CA 0.115 54.160 54.000 0.076 0.000 0.832 600 D CB 0.571 41.415 40.800 0.073 0.000 0.992 600 D HN 0.376 nan 8.370 nan 0.000 0.502 601 G N 0.171 109.069 108.800 0.163 0.000 2.569 601 G HA2 0.095 4.062 3.960 0.012 0.000 0.249 601 G HA3 0.095 4.062 3.960 0.012 0.000 0.249 601 G C 0.459 175.463 174.900 0.174 0.000 1.216 601 G CA -0.505 44.707 45.100 0.186 0.000 0.845 601 G HN 0.035 nan 8.290 nan 0.000 0.568 602 F N 0.944 120.926 119.950 0.054 0.000 2.128 602 F HA 0.169 4.703 4.527 0.012 0.000 0.295 602 F C 1.357 177.181 175.800 0.041 0.000 1.100 602 F CA 1.273 59.312 58.000 0.066 0.000 1.260 602 F CB 0.148 39.151 39.000 0.004 0.000 1.009 602 F HN 0.638 nan 8.300 nan 0.000 0.476 603 S N -0.828 114.813 115.700 -0.099 0.000 2.578 603 S HA 0.494 4.972 4.470 0.012 0.000 0.272 603 S C -1.431 173.089 174.600 -0.132 0.000 1.145 603 S CA -1.099 56.994 58.200 -0.179 0.000 0.835 603 S CB 0.972 64.040 63.200 -0.221 0.000 1.104 603 S HN 0.118 nan 8.310 nan 0.000 0.458 604 L N 1.681 122.795 121.223 -0.182 0.000 2.282 604 L HA 0.552 4.900 4.340 0.012 0.000 0.288 604 L C 0.354 177.079 176.870 -0.241 0.000 1.033 604 L CA -0.452 54.205 54.840 -0.305 0.000 0.807 604 L CB 1.473 43.293 42.059 -0.397 0.000 1.209 604 L HN 0.804 nan 8.230 nan 0.000 0.423 605 E N 4.661 124.757 120.200 -0.174 0.000 2.052 605 E HA 0.193 4.550 4.350 0.012 0.000 0.283 605 E C -0.190 176.392 176.600 -0.029 0.000 1.071 605 E CA -0.438 55.914 56.400 -0.080 0.000 0.851 605 E CB 0.695 30.369 29.700 -0.042 0.000 1.066 605 E HN 0.575 nan 8.360 nan 0.000 0.396 606 M N 2.704 122.303 119.600 -0.001 0.000 2.511 606 M HA 0.437 4.924 4.480 0.012 0.000 0.387 606 M C -1.280 175.184 176.300 0.274 0.000 1.112 606 M CA -0.585 54.783 55.300 0.113 0.000 0.921 606 M CB 0.190 32.790 32.600 -0.000 0.000 1.501 606 M HN 0.256 nan 8.290 nan 0.000 0.538 607 W N -0.414 120.868 121.300 -0.031 0.000 3.066 607 W HA 0.645 5.314 4.660 0.015 0.000 0.330 607 W C 0.362 176.904 176.519 0.039 0.000 1.253 607 W CA 0.053 57.399 57.345 0.002 0.000 1.187 607 W CB 1.033 30.487 29.460 -0.010 0.000 1.434 607 W HN 0.715 nan 8.180 nan 0.000 0.572 608 G N 1.047 109.805 108.800 -0.069 0.000 2.568 608 G HA2 0.380 4.348 3.960 0.012 0.000 0.222 608 G HA3 0.380 4.348 3.960 0.012 0.000 0.222 608 G C 0.700 175.580 174.900 -0.033 0.000 1.321 608 G CA 0.837 45.923 45.100 -0.024 0.000 0.893 608 G HN 2.237 nan 8.290 nan 0.000 0.569 609 G N -0.796 108.021 108.800 0.028 0.000 2.652 609 G HA2 0.124 4.091 3.960 0.012 0.000 0.318 609 G HA3 0.124 4.091 3.960 0.012 0.000 0.318 609 G C 1.637 176.548 174.900 0.017 0.000 1.295 609 G CA 2.685 47.801 45.100 0.028 0.000 0.999 609 G HN 2.575 nan 8.290 nan 0.000 0.548 610 A N -0.503 122.316 122.820 -0.002 0.000 2.251 610 A HA 0.382 4.709 4.320 0.012 0.000 0.209 610 A C 2.454 180.020 177.584 -0.029 0.000 1.187 610 A CA 2.301 54.347 52.037 0.014 0.000 0.823 610 A CB -0.746 18.271 19.000 0.029 0.000 0.846 610 A HN 1.924 nan 8.150 nan 0.000 0.486 611 T N -3.123 111.380 114.554 -0.085 0.000 2.788 611 T HA -0.170 4.188 4.350 0.012 0.000 0.268 611 T C 1.652 176.215 174.700 -0.230 0.000 1.044 611 T CA 1.384 63.407 62.100 -0.129 0.000 1.139 611 T CB -0.554 68.227 68.868 -0.145 0.000 0.867 611 T HN 0.271 nan 8.240 nan 0.000 0.454 612 F N 2.702 122.376 119.950 -0.461 0.000 2.026 612 F HA -0.093 4.440 4.527 0.010 0.000 0.296 612 F C 2.379 177.934 175.800 -0.408 0.000 1.133 612 F CA 2.068 59.745 58.000 -0.540 0.000 1.188 612 F CB -0.544 38.140 39.000 -0.526 0.000 0.968 612 F HN 0.096 nan 8.300 nan 0.000 0.476 613 D N -0.020 120.271 120.400 -0.182 0.000 2.106 613 D HA -0.177 4.471 4.640 0.012 0.000 0.191 613 D C 2.265 178.456 176.300 -0.182 0.000 0.997 613 D CA 1.923 55.695 54.000 -0.381 0.000 0.834 613 D CB -0.391 40.286 40.800 -0.204 0.000 0.956 613 D HN 0.191 nan 8.370 nan 0.000 0.448 614 V N 1.175 121.070 119.914 -0.032 0.000 2.427 614 V HA -0.159 3.969 4.120 0.012 0.000 0.248 614 V C 2.649 178.795 176.094 0.087 0.000 1.051 614 V CA 1.542 63.940 62.300 0.162 0.000 1.048 614 V CB -0.853 31.104 31.823 0.223 0.000 0.666 614 V HN 0.281 nan 8.190 nan 0.000 0.456 615 A N -0.699 122.070 122.820 -0.085 0.000 1.859 615 A HA -0.283 4.044 4.320 0.012 0.000 0.217 615 A C 2.127 179.638 177.584 -0.123 0.000 1.198 615 A CA 2.251 54.190 52.037 -0.163 0.000 0.629 615 A CB -0.984 17.785 19.000 -0.384 0.000 0.830 615 A HN 0.577 nan 8.150 nan 0.000 0.446 616 Y N -0.448 119.719 120.300 -0.222 0.000 2.181 616 Y HA -0.201 4.357 4.550 0.014 0.000 0.288 616 Y C 2.695 178.581 175.900 -0.024 0.000 1.146 616 Y CA 1.580 59.569 58.100 -0.185 0.000 1.164 616 Y CB -0.074 38.216 38.460 -0.283 0.000 0.982 616 Y HN 0.557 nan 8.280 nan 0.000 0.515 617 N N -0.799 117.930 118.700 0.049 0.000 2.240 617 N HA -0.105 4.642 4.740 0.012 0.000 0.187 617 N C 1.565 177.025 175.510 -0.082 0.000 1.042 617 N CA 0.702 53.681 53.050 -0.118 0.000 0.861 617 N CB -0.230 38.011 38.487 -0.411 0.000 1.026 617 N HN 0.148 nan 8.380 nan 0.000 0.441 618 F N 1.109 121.151 119.950 0.153 0.000 2.147 618 F HA 0.133 4.669 4.527 0.015 0.000 0.291 618 F C 2.105 178.111 175.800 0.343 0.000 1.093 618 F CA 0.488 58.617 58.000 0.215 0.000 1.263 618 F CB -0.048 39.054 39.000 0.170 0.000 1.036 618 F HN -0.017 nan 8.300 nan 0.000 0.481 619 L N -0.529 120.982 121.223 0.479 0.000 2.492 619 L HA 0.033 4.380 4.340 0.012 0.000 0.223 619 L C 0.463 177.559 176.870 0.377 0.000 1.132 619 L CA 0.240 55.343 54.840 0.438 0.000 0.850 619 L CB -0.389 41.771 42.059 0.168 0.000 0.966 619 L HN 0.064 nan 8.230 nan 0.000 0.454 620 K N 1.419 122.022 120.400 0.339 0.000 3.096 620 K HA -0.192 4.135 4.320 0.012 0.000 0.266 620 K C -0.189 176.645 176.600 0.390 0.000 1.043 620 K CA 0.748 57.268 56.287 0.389 0.000 0.758 620 K CB -1.105 31.618 32.500 0.372 0.000 1.260 620 K HN 0.705 nan 8.250 nan 0.000 0.481 621 E N -1.277 119.051 120.200 0.214 0.000 2.343 621 E HA 0.266 4.624 4.350 0.012 0.000 0.270 621 E C -0.879 175.603 176.600 -0.196 0.000 0.895 621 E CA -1.204 55.267 56.400 0.118 0.000 0.767 621 E CB 1.344 31.023 29.700 -0.035 0.000 1.248 621 E HN 0.243 nan 8.360 nan 0.000 0.440 622 N N 2.723 121.309 118.700 -0.190 0.000 2.405 622 N HA 0.057 4.804 4.740 0.012 0.000 0.260 622 N C -1.458 173.835 175.510 -0.363 0.000 1.152 622 N CA -1.748 51.031 53.050 -0.451 0.000 0.948 622 N CB 0.788 39.264 38.487 -0.019 0.000 1.111 622 N HN 0.355 nan 8.380 nan 0.000 0.485 623 P HA -0.139 nan 4.420 nan 0.000 0.220 623 P C 0.518 177.912 177.300 0.157 0.000 1.148 623 P CA 1.168 64.079 63.100 -0.316 0.000 0.803 623 P CB 0.003 31.209 31.700 -0.824 0.000 0.782 624 W N 1.104 122.504 121.300 0.166 0.000 2.388 624 W HA -0.037 4.629 4.660 0.010 0.000 0.294 624 W C 2.505 179.051 176.519 0.045 0.000 1.212 624 W CA 0.665 58.128 57.345 0.198 0.000 1.271 624 W CB -0.764 28.810 29.460 0.189 0.000 1.126 624 W HN 0.047 nan 8.180 nan 0.000 0.535 625 E N 0.195 120.537 120.200 0.238 0.000 2.077 625 E HA -0.239 4.119 4.350 0.012 0.000 0.193 625 E C 2.174 178.814 176.600 0.066 0.000 0.989 625 E CA 1.102 57.577 56.400 0.125 0.000 0.800 625 E CB -0.313 29.443 29.700 0.093 0.000 0.746 625 E HN 0.241 nan 8.360 nan 0.000 0.452 626 R N 0.832 121.367 120.500 0.058 0.000 2.083 626 R HA -0.187 4.160 4.340 0.012 0.000 0.237 626 R C 2.474 178.777 176.300 0.004 0.000 1.137 626 R CA 1.173 57.289 56.100 0.027 0.000 0.951 626 R CB -0.281 30.053 30.300 0.056 0.000 0.851 626 R HN 0.139 nan 8.270 nan 0.000 0.434 627 L N 1.568 122.755 121.223 -0.060 0.000 1.989 627 L HA -0.151 4.197 4.340 0.012 0.000 0.211 627 L C 1.723 178.553 176.870 -0.067 0.000 1.071 627 L CA 1.946 56.641 54.840 -0.243 0.000 0.749 627 L CB -0.620 40.964 42.059 -0.792 0.000 0.890 627 L HN 0.229 nan 8.230 nan 0.000 0.431 628 E N -0.790 119.392 120.200 -0.029 0.000 2.077 628 E HA -0.193 4.164 4.350 0.012 0.000 0.193 628 E C 2.262 178.855 176.600 -0.011 0.000 0.989 628 E CA 1.194 57.583 56.400 -0.017 0.000 0.800 628 E CB -0.095 29.620 29.700 0.025 0.000 0.746 628 E HN 0.505 nan 8.360 nan 0.000 0.452 629 R N 0.376 120.881 120.500 0.009 0.000 2.073 629 R HA -0.037 4.310 4.340 0.012 0.000 0.229 629 R C 2.531 178.849 176.300 0.030 0.000 1.120 629 R CA 0.736 56.841 56.100 0.008 0.000 0.967 629 R CB -0.366 29.935 30.300 0.002 0.000 0.862 629 R HN 0.172 nan 8.270 nan 0.000 0.436 630 L N 0.485 121.748 121.223 0.066 0.000 2.079 630 L HA -0.180 4.167 4.340 0.012 0.000 0.210 630 L C 2.740 179.774 176.870 0.274 0.000 1.081 630 L CA 1.007 55.956 54.840 0.182 0.000 0.752 630 L CB -0.414 41.751 42.059 0.176 0.000 0.896 630 L HN 0.060 nan 8.230 nan 0.000 0.433 631 R N 1.019 121.571 120.500 0.086 0.000 2.094 631 R HA -0.186 4.161 4.340 0.012 0.000 0.239 631 R C 2.186 178.391 176.300 -0.159 0.000 1.137 631 R CA 1.720 57.656 56.100 -0.274 0.000 0.943 631 R CB -0.458 29.664 30.300 -0.296 0.000 0.850 631 R HN 0.349 nan 8.270 nan 0.000 0.433 632 K N -0.685 119.672 120.400 -0.072 0.000 2.097 632 K HA -0.049 4.278 4.320 0.012 0.000 0.206 632 K C 1.960 178.552 176.600 -0.013 0.000 1.049 632 K CA 1.449 57.706 56.287 -0.050 0.000 0.933 632 K CB -0.093 32.387 32.500 -0.033 0.000 0.717 632 K HN 0.196 nan 8.250 nan 0.000 0.442 633 A N 0.817 123.656 122.820 0.031 0.000 1.975 633 A HA 0.052 4.379 4.320 0.012 0.000 0.215 633 A C 1.203 178.852 177.584 0.110 0.000 1.170 633 A CA 0.658 52.732 52.037 0.062 0.000 0.656 633 A CB 0.064 19.107 19.000 0.071 0.000 0.821 633 A HN 0.167 nan 8.150 nan 0.000 0.449 634 I N 0.692 121.358 120.570 0.160 0.000 2.778 634 I HA 0.205 4.382 4.170 0.012 0.000 0.285 634 I C -2.114 174.064 176.117 0.101 0.000 1.236 634 I CA -1.347 60.090 61.300 0.227 0.000 1.089 634 I CB 1.689 39.954 38.000 0.442 0.000 1.601 634 I HN 0.062 nan 8.210 nan 0.000 0.573 635 P HA 0.059 nan 4.420 nan 0.000 0.257 635 P C 0.300 177.581 177.300 -0.033 0.000 1.325 635 P CA 0.582 63.644 63.100 -0.064 0.000 0.850 635 P CB 0.105 31.771 31.700 -0.055 0.000 1.324 636 N N -0.879 117.849 118.700 0.047 0.000 2.257 636 N HA 0.045 4.793 4.740 0.012 0.000 0.200 636 N C 0.049 175.572 175.510 0.021 0.000 1.163 636 N CA 0.126 53.207 53.050 0.052 0.000 0.891 636 N CB 0.251 38.831 38.487 0.154 0.000 1.067 636 N HN -0.117 nan 8.380 nan 0.000 0.497 637 V N 1.957 121.913 119.914 0.070 0.000 2.630 637 V HA 0.376 4.503 4.120 0.012 0.000 0.305 637 V C 0.578 176.714 176.094 0.070 0.000 1.046 637 V CA -0.979 61.355 62.300 0.056 0.000 0.934 637 V CB 2.291 34.185 31.823 0.119 0.000 1.003 637 V HN 0.081 nan 8.190 nan 0.000 0.451 638 L N 3.478 124.662 121.223 -0.065 0.000 2.499 638 L HA 0.198 4.545 4.340 0.012 0.000 0.273 638 L C -0.527 176.432 176.870 0.148 0.000 1.195 638 L CA 0.255 55.044 54.840 -0.085 0.000 0.882 638 L CB 0.014 41.854 42.059 -0.365 0.000 1.133 638 L HN 0.445 nan 8.230 nan 0.000 0.483 639 F N 2.408 122.254 119.950 -0.173 0.000 2.394 639 F HA 0.391 4.925 4.527 0.012 0.000 0.340 639 F C 0.426 176.124 175.800 -0.171 0.000 1.105 639 F CA -0.578 57.336 58.000 -0.143 0.000 1.124 639 F CB 1.261 40.171 39.000 -0.151 0.000 1.145 639 F HN 0.422 nan 8.300 nan 0.000 0.505 640 Q N 4.670 124.458 119.800 -0.020 0.000 2.375 640 Q HA 0.706 5.053 4.340 0.012 0.000 0.271 640 Q C -1.211 174.774 176.000 -0.025 0.000 1.074 640 Q CA -0.923 54.855 55.803 -0.042 0.000 0.808 640 Q CB 2.424 31.177 28.738 0.025 0.000 1.327 640 Q HN 0.786 nan 8.270 nan 0.000 0.441 641 M N 1.851 121.427 119.600 -0.041 0.000 2.644 641 M HA 0.567 5.054 4.480 0.012 0.000 0.304 641 M C -1.806 174.563 176.300 0.116 0.000 1.215 641 M CA -1.183 54.168 55.300 0.085 0.000 0.871 641 M CB 1.799 34.522 32.600 0.206 0.000 1.740 641 M HN 0.568 nan 8.290 nan 0.000 0.464 642 L N 2.705 124.008 121.223 0.134 0.000 2.264 642 L HA 0.668 5.015 4.340 0.012 0.000 0.289 642 L C -1.855 175.191 176.870 0.293 0.000 1.044 642 L CA -0.437 54.498 54.840 0.157 0.000 0.807 642 L CB 1.283 43.361 42.059 0.031 0.000 1.192 642 L HN 0.817 nan 8.230 nan 0.000 0.425 643 L N 5.469 126.922 121.223 0.383 0.000 2.325 643 L HA 0.555 4.902 4.340 0.012 0.000 0.281 643 L C -0.359 176.658 176.870 0.246 0.000 1.004 643 L CA -0.405 54.643 54.840 0.347 0.000 0.823 643 L CB 1.385 43.679 42.059 0.391 0.000 1.236 643 L HN 0.754 nan 8.230 nan 0.000 0.415 644 R N 4.029 124.562 120.500 0.055 0.000 2.234 644 R HA 0.514 4.862 4.340 0.012 0.000 0.324 644 R C 0.932 177.077 176.300 -0.258 0.000 1.054 644 R CA 0.565 56.407 56.100 -0.431 0.000 0.912 644 R CB 1.357 31.446 30.300 -0.352 0.000 1.030 644 R HN 0.825 nan 8.270 nan 0.000 0.455 645 A N 3.188 125.820 122.820 -0.314 0.000 1.986 645 A HA -0.224 4.103 4.320 0.012 0.000 0.220 645 A C 1.976 179.513 177.584 -0.077 0.000 1.171 645 A CA 2.064 54.024 52.037 -0.128 0.000 0.640 645 A CB -0.641 18.295 19.000 -0.107 0.000 0.811 645 A HN 0.921 nan 8.150 nan 0.000 0.451 646 S N 0.256 115.906 115.700 -0.084 0.000 2.406 646 S HA -0.068 4.409 4.470 0.012 0.000 0.224 646 S C 0.922 175.538 174.600 0.028 0.000 1.030 646 S CA 0.952 59.143 58.200 -0.016 0.000 0.958 646 S CB -0.207 62.992 63.200 -0.002 0.000 0.811 646 S HN 0.758 nan 8.310 nan 0.000 0.489 647 N N 0.319 119.030 118.700 0.018 0.000 2.471 647 N HA 0.467 5.215 4.740 0.012 0.000 0.270 647 N C 0.660 176.142 175.510 -0.046 0.000 1.490 647 N CA 0.340 53.459 53.050 0.114 0.000 0.850 647 N CB 0.003 38.613 38.487 0.204 0.000 1.411 647 N HN 0.431 nan 8.380 nan 0.000 0.488 648 A N 0.118 122.894 122.820 -0.074 0.000 1.520 648 A HA -0.342 3.985 4.320 0.012 0.000 0.366 648 A C 0.986 178.475 177.584 -0.159 0.000 1.703 648 A CA 2.883 54.854 52.037 -0.109 0.000 1.083 648 A CB -1.529 17.324 19.000 -0.245 0.000 1.474 648 A HN 1.019 nan 8.150 nan 0.000 0.718 649 V N -0.731 118.962 119.914 -0.367 0.000 3.544 649 V HA 0.521 4.649 4.120 0.012 0.000 0.298 649 V C 1.052 177.117 176.094 -0.048 0.000 1.580 649 V CA 1.230 63.364 62.300 -0.276 0.000 1.122 649 V CB -0.014 31.462 31.823 -0.578 0.000 0.951 649 V HN 1.624 nan 8.190 nan 0.000 0.448 650 G N 0.138 108.893 108.800 -0.075 0.000 2.489 650 G HA2 0.204 4.171 3.960 0.012 0.000 0.271 650 G HA3 0.204 4.171 3.960 0.012 0.000 0.271 650 G C 0.220 175.215 174.900 0.159 0.000 1.427 650 G CA 0.610 45.722 45.100 0.020 0.000 1.057 650 G HN 0.694 nan 8.290 nan 0.000 0.532 651 Y N -2.065 118.183 120.300 -0.087 0.000 2.499 651 Y HA 0.445 5.007 4.550 0.020 0.000 0.253 651 Y C 0.726 176.566 175.900 -0.099 0.000 1.105 651 Y CA -0.171 57.904 58.100 -0.042 0.000 1.240 651 Y CB 0.209 38.643 38.460 -0.043 0.000 1.289 651 Y HN 0.531 nan 8.280 nan 0.000 0.534 652 K N -0.163 119.738 120.400 -0.832 0.000 2.054 652 K HA 0.453 4.781 4.320 0.012 0.000 0.248 652 K C -1.063 175.085 176.600 -0.753 0.000 1.019 652 K CA -1.085 54.721 56.287 -0.802 0.000 0.855 652 K CB 0.558 32.398 32.500 -1.100 0.000 1.473 652 K HN -0.134 nan 8.250 nan 0.000 0.483 653 N N -0.280 118.002 118.700 -0.696 0.000 2.508 653 N HA 0.372 5.119 4.740 0.012 0.000 0.285 653 N C -1.353 173.671 175.510 -0.809 0.000 1.144 653 N CA -0.134 52.594 53.050 -0.537 0.000 0.978 653 N CB 0.642 38.980 38.487 -0.250 0.000 1.180 653 N HN 0.412 nan 8.380 nan 0.000 0.484 654 Y N -0.443 119.795 120.300 -0.102 0.000 2.524 654 Y HA 0.377 4.933 4.550 0.010 0.000 0.347 654 Y C -1.973 173.910 175.900 -0.027 0.000 1.005 654 Y CA -1.860 56.193 58.100 -0.079 0.000 1.025 654 Y CB 1.755 40.165 38.460 -0.084 0.000 1.275 654 Y HN 0.385 nan 8.280 nan 0.000 0.460 655 P HA -0.005 nan 4.420 nan 0.000 0.269 655 P C -0.086 177.290 177.300 0.126 0.000 1.215 655 P CA 0.131 63.288 63.100 0.095 0.000 0.780 655 P CB 1.202 32.933 31.700 0.052 0.000 0.898 656 D N 1.479 121.943 120.400 0.108 0.000 2.149 656 D HA -0.179 4.468 4.640 0.012 0.000 0.198 656 D C 1.478 177.921 176.300 0.239 0.000 0.990 656 D CA 1.364 55.457 54.000 0.156 0.000 0.839 656 D CB -0.480 40.400 40.800 0.133 0.000 0.948 656 D HN 0.531 nan 8.370 nan 0.000 0.460 657 N N 1.331 120.143 118.700 0.186 0.000 2.520 657 N HA -0.117 4.631 4.740 0.012 0.000 0.185 657 N C 1.625 177.358 175.510 0.372 0.000 1.068 657 N CA 0.525 53.725 53.050 0.250 0.000 0.911 657 N CB -0.467 38.140 38.487 0.201 0.000 0.961 657 N HN 0.110 nan 8.380 nan 0.000 0.446 658 V N 0.994 121.083 119.914 0.291 0.000 2.535 658 V HA -0.057 4.070 4.120 0.012 0.000 0.246 658 V C 2.456 178.650 176.094 0.167 0.000 1.045 658 V CA 0.622 63.086 62.300 0.273 0.000 1.058 658 V CB -0.288 31.596 31.823 0.101 0.000 0.689 658 V HN 0.166 nan 8.190 nan 0.000 0.461 659 I N 0.194 120.846 120.570 0.136 0.000 2.142 659 I HA -0.238 3.939 4.170 0.012 0.000 0.240 659 I C 2.431 178.604 176.117 0.093 0.000 1.078 659 I CA 2.034 63.386 61.300 0.086 0.000 1.343 659 I CB -1.565 36.449 38.000 0.024 0.000 1.046 659 I HN 0.361 nan 8.210 nan 0.000 0.405 660 H N 0.832 119.950 119.070 0.079 0.000 2.289 660 H HA -0.227 4.336 4.556 0.012 0.000 0.296 660 H C 2.301 177.655 175.328 0.043 0.000 1.091 660 H CA 2.479 58.553 56.048 0.043 0.000 1.274 660 H CB -0.116 29.671 29.762 0.040 0.000 1.364 660 H HN 0.108 nan 8.280 nan 0.000 0.490 661 K N 0.130 120.643 120.400 0.190 0.000 2.020 661 K HA -0.187 4.140 4.320 0.012 0.000 0.212 661 K C 1.997 178.666 176.600 0.114 0.000 1.050 661 K CA 1.685 58.000 56.287 0.047 0.000 0.929 661 K CB -0.701 31.718 32.500 -0.135 0.000 0.714 661 K HN 0.230 nan 8.250 nan 0.000 0.443 662 F N 0.186 120.177 119.950 0.068 0.000 2.161 662 F HA -0.169 4.367 4.527 0.014 0.000 0.300 662 F C 1.716 177.646 175.800 0.216 0.000 1.089 662 F CA 1.254 59.357 58.000 0.173 0.000 1.282 662 F CB -0.306 38.746 39.000 0.087 0.000 1.010 662 F HN -0.121 nan 8.300 nan 0.000 0.485 663 V N 0.350 120.280 119.914 0.027 0.000 2.244 663 V HA -0.291 3.837 4.120 0.012 0.000 0.244 663 V C 2.513 178.558 176.094 -0.082 0.000 1.042 663 V CA 1.919 64.124 62.300 -0.158 0.000 1.006 663 V CB -0.793 30.834 31.823 -0.327 0.000 0.641 663 V HN 0.272 nan 8.190 nan 0.000 0.446 664 Q N -0.035 119.743 119.800 -0.037 0.000 2.096 664 Q HA -0.240 4.107 4.340 0.012 0.000 0.208 664 Q C 2.214 178.215 176.000 0.001 0.000 0.993 664 Q CA 1.763 57.560 55.803 -0.010 0.000 0.862 664 Q CB -0.561 28.175 28.738 -0.002 0.000 0.915 664 Q HN 0.619 nan 8.270 nan 0.000 0.416 665 E N -0.148 120.052 120.200 -0.000 0.000 2.208 665 E HA -0.003 4.355 4.350 0.012 0.000 0.193 665 E C 2.060 178.755 176.600 0.159 0.000 0.988 665 E CA 0.430 56.827 56.400 -0.006 0.000 0.828 665 E CB 0.030 29.666 29.700 -0.107 0.000 0.763 665 E HN 0.211 nan 8.360 nan 0.000 0.478 666 S N 0.999 116.793 115.700 0.157 0.000 2.368 666 S HA -0.076 4.401 4.470 0.012 0.000 0.224 666 S C 2.095 176.782 174.600 0.146 0.000 1.029 666 S CA 0.936 59.225 58.200 0.148 0.000 0.988 666 S CB -0.061 63.166 63.200 0.045 0.000 0.838 666 S HN 0.378 nan 8.310 nan 0.000 0.462 667 A N 1.773 124.726 122.820 0.222 0.000 1.933 667 A HA -0.100 4.227 4.320 0.012 0.000 0.218 667 A C 2.045 179.656 177.584 0.046 0.000 1.175 667 A CA 1.340 53.486 52.037 0.182 0.000 0.628 667 A CB -0.370 18.735 19.000 0.175 0.000 0.814 667 A HN 0.387 nan 8.150 nan 0.000 0.444 668 K N -0.629 119.786 120.400 0.025 0.000 2.097 668 K HA 0.005 4.333 4.320 0.012 0.000 0.205 668 K C 1.907 178.483 176.600 -0.041 0.000 1.050 668 K CA 1.028 57.303 56.287 -0.019 0.000 0.938 668 K CB -0.187 32.292 32.500 -0.036 0.000 0.718 668 K HN 0.434 nan 8.250 nan 0.000 0.442 669 A N -0.083 122.727 122.820 -0.017 0.000 2.251 669 A HA 0.202 4.529 4.320 0.012 0.000 0.209 669 A C 1.203 178.705 177.584 -0.137 0.000 1.187 669 A CA 0.935 52.950 52.037 -0.037 0.000 0.823 669 A CB 0.175 19.236 19.000 0.101 0.000 0.846 669 A HN 0.414 nan 8.150 nan 0.000 0.486 670 G N -1.181 107.524 108.800 -0.159 0.000 2.273 670 G HA2 -0.067 3.900 3.960 0.012 0.000 0.162 670 G HA3 -0.067 3.900 3.960 0.012 0.000 0.162 670 G C -0.154 174.609 174.900 -0.230 0.000 1.006 670 G CA -0.208 44.738 45.100 -0.256 0.000 0.704 670 G HN 0.176 nan 8.290 nan 0.000 0.487 671 I N 2.169 122.631 120.570 -0.180 0.000 2.471 671 I HA 0.298 4.475 4.170 0.012 0.000 0.286 671 I C 0.347 176.336 176.117 -0.214 0.000 1.079 671 I CA 0.022 61.177 61.300 -0.242 0.000 1.398 671 I CB 1.042 38.770 38.000 -0.453 0.000 1.403 671 I HN 0.042 nan 8.210 nan 0.000 0.530 672 D N 4.530 124.814 120.400 -0.193 0.000 2.463 672 D HA 0.086 4.733 4.640 0.012 0.000 0.237 672 D C 0.207 176.476 176.300 -0.050 0.000 1.013 672 D CA 0.841 54.787 54.000 -0.091 0.000 0.910 672 D CB 1.125 41.869 40.800 -0.093 0.000 1.080 672 D HN 0.207 nan 8.370 nan 0.000 0.498 673 V N 1.929 121.761 119.914 -0.136 0.000 2.407 673 V HA 0.309 4.436 4.120 0.012 0.000 0.291 673 V C -0.971 175.075 176.094 -0.080 0.000 1.018 673 V CA -0.640 61.676 62.300 0.028 0.000 0.842 673 V CB 1.402 33.291 31.823 0.110 0.000 0.996 673 V HN -0.094 nan 8.190 nan 0.000 0.426 674 F N 3.896 123.956 119.950 0.184 0.000 2.361 674 F HA 0.506 5.040 4.527 0.011 0.000 0.364 674 F C 0.713 176.632 175.800 0.198 0.000 1.117 674 F CA -0.504 57.609 58.000 0.188 0.000 1.071 674 F CB 1.151 40.260 39.000 0.181 0.000 1.188 674 F HN 0.350 nan 8.300 nan 0.000 0.464 675 R N 5.195 125.864 120.500 0.281 0.000 2.248 675 R HA 0.411 4.758 4.340 0.012 0.000 0.337 675 R C -0.856 175.614 176.300 0.285 0.000 1.085 675 R CA -0.129 56.093 56.100 0.203 0.000 0.934 675 R CB 0.001 30.326 30.300 0.042 0.000 1.034 675 R HN 0.670 nan 8.270 nan 0.000 0.465 676 I N 6.780 127.516 120.570 0.277 0.000 2.331 676 I HA 0.301 4.478 4.170 0.012 0.000 0.292 676 I C -0.441 175.819 176.117 0.239 0.000 0.998 676 I CA -0.715 60.747 61.300 0.270 0.000 1.267 676 I CB 0.818 38.992 38.000 0.290 0.000 1.386 676 I HN 0.505 nan 8.210 nan 0.000 0.476 677 F N 3.598 123.572 119.950 0.040 0.000 2.578 677 F HA 0.624 5.157 4.527 0.011 0.000 0.311 677 F C -1.161 174.675 175.800 0.061 0.000 1.094 677 F CA -1.406 56.609 58.000 0.025 0.000 0.923 677 F CB 1.164 40.177 39.000 0.022 0.000 1.230 677 F HN 0.316 nan 8.300 nan 0.000 0.450 678 D N 1.281 121.659 120.400 -0.036 0.000 2.168 678 D HA 0.315 4.962 4.640 0.012 0.000 0.246 678 D C 0.750 177.118 176.300 0.114 0.000 1.050 678 D CA -0.200 53.758 54.000 -0.070 0.000 0.857 678 D CB 1.970 42.817 40.800 0.079 0.000 1.169 678 D HN 0.705 nan 8.370 nan 0.000 0.453 679 S N 2.953 118.696 115.700 0.070 0.000 2.603 679 S HA -0.024 4.453 4.470 0.012 0.000 0.229 679 S C 1.053 175.758 174.600 0.174 0.000 0.972 679 S CA 0.319 58.642 58.200 0.206 0.000 0.935 679 S CB -0.346 62.960 63.200 0.177 0.000 0.769 679 S HN 0.588 nan 8.310 nan 0.000 0.536 680 L N 0.165 121.499 121.223 0.185 0.000 3.069 680 L HA 0.388 4.735 4.340 0.012 0.000 0.271 680 L C -0.062 176.954 176.870 0.242 0.000 1.201 680 L CA -0.416 54.532 54.840 0.180 0.000 1.015 680 L CB -0.313 41.823 42.059 0.128 0.000 1.371 680 L HN 0.079 nan 8.230 nan 0.000 0.574 681 N N -0.244 118.614 118.700 0.264 0.000 2.725 681 N HA -0.233 4.515 4.740 0.012 0.000 0.249 681 N C -0.619 175.076 175.510 0.308 0.000 1.103 681 N CA 0.712 53.929 53.050 0.278 0.000 0.707 681 N CB -1.142 37.557 38.487 0.354 0.000 1.043 681 N HN 0.446 nan 8.380 nan 0.000 0.553 682 W N 1.275 122.620 121.300 0.075 0.000 2.416 682 W HA 0.418 5.084 4.660 0.011 0.000 0.318 682 W C 1.063 177.608 176.519 0.043 0.000 1.150 682 W CA -0.908 56.467 57.345 0.050 0.000 1.392 682 W CB 0.077 29.557 29.460 0.034 0.000 1.311 682 W HN -0.061 nan 8.180 nan 0.000 0.436 683 V N 5.180 125.116 119.914 0.036 0.000 2.332 683 V HA -0.314 3.814 4.120 0.012 0.000 0.248 683 V C 1.855 177.772 176.094 -0.295 0.000 1.055 683 V CA 2.249 64.502 62.300 -0.078 0.000 1.038 683 V CB -0.525 31.295 31.823 -0.004 0.000 0.651 683 V HN 0.410 nan 8.190 nan 0.000 0.450 684 D N -0.476 119.525 120.400 -0.665 0.000 2.221 684 D HA -0.206 4.441 4.640 0.012 0.000 0.204 684 D C 2.144 178.000 176.300 -0.741 0.000 0.982 684 D CA 1.122 54.671 54.000 -0.751 0.000 0.857 684 D CB -0.193 40.078 40.800 -0.882 0.000 0.934 684 D HN 0.512 nan 8.370 nan 0.000 0.475 685 Q N -0.836 118.466 119.800 -0.831 0.000 2.444 685 Q HA 0.120 4.467 4.340 0.012 0.000 0.206 685 Q C 1.221 177.113 176.000 -0.181 0.000 0.948 685 Q CA 0.131 55.685 55.803 -0.414 0.000 0.946 685 Q CB 0.160 28.795 28.738 -0.173 0.000 1.027 685 Q HN 0.270 nan 8.270 nan 0.000 0.513 686 M N -1.033 118.482 119.600 -0.141 0.000 2.333 686 M HA 0.085 4.572 4.480 0.012 0.000 0.257 686 M C 1.221 177.544 176.300 0.039 0.000 1.078 686 M CA -0.029 55.278 55.300 0.010 0.000 1.005 686 M CB 0.546 33.211 32.600 0.107 0.000 1.444 686 M HN -0.051 nan 8.290 nan 0.000 0.496 687 K N 0.723 121.089 120.400 -0.057 0.000 2.025 687 K HA -0.031 4.296 4.320 0.012 0.000 0.207 687 K C 1.969 178.524 176.600 -0.075 0.000 1.049 687 K CA 1.265 57.508 56.287 -0.073 0.000 0.933 687 K CB -0.633 31.808 32.500 -0.097 0.000 0.714 687 K HN 0.203 nan 8.250 nan 0.000 0.438 688 V N 2.122 121.999 119.914 -0.062 0.000 2.219 688 V HA -0.294 3.833 4.120 0.012 0.000 0.248 688 V C 2.624 178.618 176.094 -0.167 0.000 1.053 688 V CA 2.254 64.518 62.300 -0.060 0.000 1.009 688 V CB -1.142 30.672 31.823 -0.015 0.000 0.636 688 V HN 0.337 nan 8.190 nan 0.000 0.445 689 A N 0.418 123.165 122.820 -0.121 0.000 1.903 689 A HA -0.367 3.961 4.320 0.012 0.000 0.219 689 A C 2.088 179.580 177.584 -0.153 0.000 1.191 689 A CA 2.696 54.653 52.037 -0.134 0.000 0.638 689 A CB -1.042 17.944 19.000 -0.023 0.000 0.823 689 A HN 0.637 nan 8.150 nan 0.000 0.451 690 N N -0.150 118.491 118.700 -0.100 0.000 2.007 690 N HA -0.206 4.541 4.740 0.012 0.000 0.197 690 N C 1.663 177.037 175.510 -0.226 0.000 1.050 690 N CA 2.268 55.187 53.050 -0.218 0.000 0.856 690 N CB -0.458 37.761 38.487 -0.447 0.000 1.050 690 N HN 0.657 nan 8.380 nan 0.000 0.423 691 E N -0.090 120.000 120.200 -0.184 0.000 2.049 691 E HA -0.239 4.119 4.350 0.012 0.000 0.198 691 E C 2.017 178.549 176.600 -0.112 0.000 1.007 691 E CA 1.451 57.786 56.400 -0.108 0.000 0.809 691 E CB -0.379 29.317 29.700 -0.006 0.000 0.749 691 E HN 0.516 nan 8.360 nan 0.000 0.450 692 A N 1.070 123.715 122.820 -0.291 0.000 1.892 692 A HA -0.210 4.118 4.320 0.012 0.000 0.218 692 A C 2.575 180.015 177.584 -0.241 0.000 1.188 692 A CA 1.779 53.576 52.037 -0.401 0.000 0.631 692 A CB -0.932 17.593 19.000 -0.791 0.000 0.822 692 A HN 0.147 nan 8.150 nan 0.000 0.447 693 V N 0.237 119.979 119.914 -0.287 0.000 2.343 693 V HA -0.286 3.841 4.120 0.012 0.000 0.247 693 V C 2.715 178.766 176.094 -0.072 0.000 1.051 693 V CA 2.081 64.220 62.300 -0.269 0.000 1.036 693 V CB -0.823 30.849 31.823 -0.252 0.000 0.654 693 V HN 0.592 nan 8.190 nan 0.000 0.451 694 Q N -0.076 119.696 119.800 -0.046 0.000 2.124 694 Q HA -0.218 4.129 4.340 0.012 0.000 0.202 694 Q C 2.146 178.155 176.000 0.015 0.000 0.977 694 Q CA 1.481 57.294 55.803 0.018 0.000 0.850 694 Q CB -0.306 28.416 28.738 -0.025 0.000 0.901 694 Q HN 0.727 nan 8.270 nan 0.000 0.429 695 E N 0.481 120.681 120.200 0.000 0.000 2.268 695 E HA -0.057 4.301 4.350 0.012 0.000 0.195 695 E C 1.497 178.105 176.600 0.013 0.000 0.995 695 E CA 0.729 57.140 56.400 0.019 0.000 0.836 695 E CB 0.050 29.781 29.700 0.052 0.000 0.763 695 E HN 0.271 nan 8.360 nan 0.000 0.491 696 A N 0.548 123.369 122.820 0.001 0.000 2.251 696 A HA 0.272 4.599 4.320 0.012 0.000 0.209 696 A C 1.672 179.273 177.584 0.029 0.000 1.187 696 A CA 0.622 52.666 52.037 0.011 0.000 0.823 696 A CB -0.189 18.809 19.000 -0.003 0.000 0.846 696 A HN 0.272 nan 8.150 nan 0.000 0.486 697 G N -0.163 108.656 108.800 0.032 0.000 2.249 697 G HA2 -0.245 3.723 3.960 0.012 0.000 0.273 697 G HA3 -0.245 3.723 3.960 0.012 0.000 0.273 697 G C 0.081 175.001 174.900 0.033 0.000 1.036 697 G CA 0.730 45.847 45.100 0.029 0.000 0.824 697 G HN 0.425 nan 8.290 nan 0.000 0.504 698 K N -0.600 119.850 120.400 0.083 0.000 2.211 698 K HA 0.610 4.938 4.320 0.012 0.000 0.237 698 K C 0.806 177.486 176.600 0.132 0.000 1.002 698 K CA -1.192 55.175 56.287 0.132 0.000 0.885 698 K CB 1.309 33.996 32.500 0.312 0.000 1.136 698 K HN 0.187 nan 8.250 nan 0.000 0.448 699 I N 1.165 121.816 120.570 0.136 0.000 2.452 699 I HA -0.005 4.172 4.170 0.012 0.000 0.287 699 I C 0.660 177.037 176.117 0.433 0.000 1.079 699 I CA 0.092 61.491 61.300 0.166 0.000 1.387 699 I CB 0.803 38.897 38.000 0.156 0.000 1.404 699 I HN 0.268 nan 8.210 nan 0.000 0.522 700 S N 6.272 122.355 115.700 0.639 0.000 2.422 700 S HA 0.241 4.719 4.470 0.012 0.000 0.308 700 S C -0.379 174.558 174.600 0.563 0.000 1.097 700 S CA -0.636 57.881 58.200 0.529 0.000 1.099 700 S CB 0.602 63.989 63.200 0.312 0.000 0.976 700 S HN 0.632 nan 8.310 nan 0.000 0.471 701 E N 3.750 124.235 120.200 0.476 0.000 2.081 701 E HA 0.519 4.876 4.350 0.012 0.000 0.276 701 E C 0.063 176.760 176.600 0.162 0.000 0.950 701 E CA -0.604 55.993 56.400 0.328 0.000 0.776 701 E CB 0.837 30.687 29.700 0.250 0.000 1.094 701 E HN 0.732 nan 8.360 nan 0.000 0.402 702 G N 3.061 111.788 108.800 -0.122 0.000 2.325 702 G HA2 0.313 4.280 3.960 0.012 0.000 0.298 702 G HA3 0.313 4.280 3.960 0.012 0.000 0.298 702 G C -0.499 174.150 174.900 -0.419 0.000 1.134 702 G CA -0.300 44.225 45.100 -0.957 0.000 0.876 702 G HN 0.458 nan 8.290 nan 0.000 0.452 703 T N 2.760 117.140 114.554 -0.289 0.000 2.807 703 T HA 0.441 4.799 4.350 0.012 0.000 0.279 703 T C 0.128 174.832 174.700 0.006 0.000 0.993 703 T CA -0.219 61.839 62.100 -0.068 0.000 0.970 703 T CB 1.516 70.412 68.868 0.047 0.000 0.950 703 T HN 0.335 nan 8.240 nan 0.000 0.441 704 I N 2.454 123.053 120.570 0.049 0.000 2.315 704 I HA 0.278 4.455 4.170 0.012 0.000 0.291 704 I C 0.136 176.367 176.117 0.191 0.000 1.006 704 I CA -0.635 60.757 61.300 0.153 0.000 1.265 704 I CB 0.759 38.867 38.000 0.181 0.000 1.387 704 I HN 0.602 nan 8.210 nan 0.000 0.475 705 C N 5.971 125.421 119.300 0.250 0.000 2.452 705 C HA 0.219 4.687 4.460 0.012 0.000 0.379 705 C C 0.106 175.281 174.990 0.308 0.000 1.275 705 C CA -0.510 58.648 59.018 0.233 0.000 2.056 705 C CB -0.213 27.652 27.740 0.209 0.000 2.506 705 C HN 0.527 nan 8.230 nan 0.000 0.560 706 Y N 2.829 123.189 120.300 0.100 0.000 2.313 706 Y HA 0.537 5.094 4.550 0.012 0.000 0.332 706 Y C 0.809 176.740 175.900 0.052 0.000 1.071 706 Y CA 0.341 58.484 58.100 0.072 0.000 1.169 706 Y CB 0.797 39.230 38.460 -0.045 0.000 1.192 706 Y HN 0.897 nan 8.280 nan 0.000 0.487 707 T N 1.745 116.023 114.554 -0.460 0.000 2.778 707 T HA 0.803 5.160 4.350 0.012 0.000 0.293 707 T C 0.226 174.540 174.700 -0.643 0.000 1.144 707 T CA -0.452 61.344 62.100 -0.506 0.000 1.010 707 T CB 1.053 69.583 68.868 -0.563 0.000 1.325 707 T HN 1.321 nan 8.240 nan 0.000 0.515 708 G N 0.448 109.035 108.800 -0.356 0.000 2.598 708 G HA2 0.113 4.081 3.960 0.012 0.000 0.244 708 G HA3 0.113 4.081 3.960 0.012 0.000 0.244 708 G C -0.943 173.912 174.900 -0.075 0.000 1.302 708 G CA 0.451 45.459 45.100 -0.155 0.000 0.903 708 G HN 1.247 nan 8.290 nan 0.000 0.575 709 D N -0.473 119.962 120.400 0.058 0.000 2.351 709 D HA 0.303 4.950 4.640 0.012 0.000 0.235 709 D C 1.503 177.915 176.300 0.187 0.000 1.331 709 D CA 0.126 54.229 54.000 0.172 0.000 0.959 709 D CB -0.203 40.666 40.800 0.115 0.000 1.432 709 D HN 1.039 nan 8.370 nan 0.000 0.544 710 I N -0.040 120.701 120.570 0.286 0.000 2.800 710 I HA -0.125 4.052 4.170 0.012 0.000 0.266 710 I C 1.237 177.450 176.117 0.161 0.000 1.249 710 I CA 0.777 62.226 61.300 0.249 0.000 1.458 710 I CB -0.138 38.059 38.000 0.330 0.000 1.093 710 I HN 0.267 nan 8.210 nan 0.000 0.466 711 L N 0.777 122.080 121.223 0.133 0.000 2.240 711 L HA 0.019 4.367 4.340 0.012 0.000 0.211 711 L C 0.824 177.729 176.870 0.059 0.000 1.106 711 L CA 0.637 55.525 54.840 0.080 0.000 0.793 711 L CB -0.465 41.622 42.059 0.048 0.000 0.927 711 L HN 0.374 nan 8.230 nan 0.000 0.446 712 N N -0.163 118.575 118.700 0.065 0.000 2.518 712 N HA 0.195 4.943 4.740 0.012 0.000 0.254 712 N C -2.093 173.450 175.510 0.054 0.000 0.979 712 N CA -2.166 50.912 53.050 0.046 0.000 0.930 712 N CB 1.517 40.024 38.487 0.033 0.000 1.152 712 N HN -0.227 nan 8.380 nan 0.000 0.505 713 P HA -0.000 nan 4.420 nan 0.000 0.230 713 P C 0.242 177.559 177.300 0.029 0.000 1.158 713 P CA 0.976 64.099 63.100 0.039 0.000 0.769 713 P CB 0.429 32.147 31.700 0.029 0.000 0.807 714 E N -1.099 119.115 120.200 0.024 0.000 2.442 714 E HA -0.031 4.327 4.350 0.012 0.000 0.195 714 E C 1.856 178.469 176.600 0.021 0.000 1.030 714 E CA -0.003 56.403 56.400 0.009 0.000 0.869 714 E CB -0.004 29.693 29.700 -0.004 0.000 0.857 714 E HN -0.015 nan 8.360 nan 0.000 0.505 715 R N 0.979 121.514 120.500 0.058 0.000 2.061 715 R HA 0.068 4.415 4.340 0.012 0.000 0.230 715 R C 1.283 177.679 176.300 0.161 0.000 1.140 715 R CA 1.163 57.330 56.100 0.112 0.000 0.940 715 R CB -0.290 30.077 30.300 0.112 0.000 0.839 715 R HN 0.037 nan 8.270 nan 0.000 0.429 716 S N -3.552 112.224 115.700 0.126 0.000 3.341 716 S HA 0.376 4.854 4.470 0.012 0.000 0.326 716 S C 0.606 175.228 174.600 0.036 0.000 1.178 716 S CA -0.030 58.243 58.200 0.121 0.000 1.002 716 S CB -0.225 63.090 63.200 0.193 0.000 1.385 716 S HN 0.074 nan 8.310 nan 0.000 0.710 717 I N 0.462 120.904 120.570 -0.213 0.000 4.273 717 I HA -0.333 3.844 4.170 0.012 0.000 0.095 717 I C 0.336 176.037 176.117 -0.694 0.000 0.589 717 I CA 2.278 63.285 61.300 -0.490 0.000 1.003 717 I CB -1.287 36.285 38.000 -0.713 0.000 0.890 717 I HN 0.675 nan 8.210 nan 0.000 0.194 718 Y N 2.527 122.587 120.300 -0.401 0.000 2.724 718 Y HA 0.352 4.910 4.550 0.012 0.000 0.354 718 Y C 1.140 176.921 175.900 -0.199 0.000 1.270 718 Y CA 0.136 57.908 58.100 -0.546 0.000 1.902 718 Y CB -0.611 37.582 38.460 -0.445 0.000 1.981 718 Y HN 0.304 nan 8.280 nan 0.000 0.428 719 T N -3.380 111.143 114.554 -0.051 0.000 2.948 719 T HA 0.206 4.564 4.350 0.012 0.000 0.285 719 T C 0.956 175.800 174.700 0.241 0.000 1.019 719 T CA -0.905 61.265 62.100 0.116 0.000 1.013 719 T CB 1.312 70.218 68.868 0.064 0.000 1.117 719 T HN 0.288 nan 8.240 nan 0.000 0.533 720 L N 0.551 121.940 121.223 0.277 0.000 2.089 720 L HA -0.071 4.276 4.340 0.012 0.000 0.213 720 L C 2.491 179.495 176.870 0.224 0.000 1.079 720 L CA 2.014 57.032 54.840 0.297 0.000 0.758 720 L CB -1.090 41.082 42.059 0.188 0.000 0.891 720 L HN 0.894 nan 8.230 nan 0.000 0.433 721 E N -1.930 118.355 120.200 0.142 0.000 2.208 721 E HA -0.246 4.111 4.350 0.012 0.000 0.193 721 E C 2.063 178.706 176.600 0.072 0.000 0.988 721 E CA 0.975 57.429 56.400 0.090 0.000 0.828 721 E CB -0.439 29.296 29.700 0.058 0.000 0.763 721 E HN 0.645 nan 8.360 nan 0.000 0.478 722 Y N -0.520 119.730 120.300 -0.083 0.000 2.163 722 Y HA -0.242 4.315 4.550 0.012 0.000 0.288 722 Y C 1.663 177.481 175.900 -0.136 0.000 1.136 722 Y CA 1.874 59.860 58.100 -0.190 0.000 1.147 722 Y CB -0.478 37.750 38.460 -0.387 0.000 0.987 722 Y HN 0.080 nan 8.280 nan 0.000 0.509 723 Y N -1.037 119.291 120.300 0.046 0.000 2.200 723 Y HA -0.204 4.353 4.550 0.012 0.000 0.290 723 Y C 2.563 178.424 175.900 -0.065 0.000 1.137 723 Y CA 1.245 59.326 58.100 -0.031 0.000 1.163 723 Y CB -0.540 38.028 38.460 0.180 0.000 0.988 723 Y HN -0.032 nan 8.280 nan 0.000 0.518 724 V N 0.713 120.708 119.914 0.134 0.000 2.255 724 V HA -0.377 3.750 4.120 0.012 0.000 0.247 724 V C 2.395 178.486 176.094 -0.005 0.000 1.051 724 V CA 2.311 64.646 62.300 0.059 0.000 1.018 724 V CB -0.624 31.235 31.823 0.060 0.000 0.641 724 V HN 0.358 nan 8.190 nan 0.000 0.445 725 K N -0.342 120.031 120.400 -0.046 0.000 2.009 725 K HA -0.254 4.074 4.320 0.012 0.000 0.210 725 K C 2.218 178.759 176.600 -0.099 0.000 1.049 725 K CA 2.150 58.396 56.287 -0.069 0.000 0.929 725 K CB -0.378 32.074 32.500 -0.080 0.000 0.714 725 K HN 0.302 nan 8.250 nan 0.000 0.440 726 L N 1.223 122.323 121.223 -0.206 0.000 2.012 726 L HA -0.161 4.187 4.340 0.012 0.000 0.210 726 L C 2.299 179.124 176.870 -0.074 0.000 1.073 726 L CA 2.243 56.968 54.840 -0.192 0.000 0.748 726 L CB -0.901 40.931 42.059 -0.378 0.000 0.891 726 L HN 0.312 nan 8.230 nan 0.000 0.431 727 A N -0.708 122.091 122.820 -0.036 0.000 1.883 727 A HA -0.274 4.053 4.320 0.012 0.000 0.217 727 A C 2.362 179.950 177.584 0.008 0.000 1.186 727 A CA 2.183 54.219 52.037 -0.001 0.000 0.624 727 A CB -0.592 18.421 19.000 0.023 0.000 0.822 727 A HN 0.529 nan 8.150 nan 0.000 0.444 728 K N -0.824 119.579 120.400 0.004 0.000 2.147 728 K HA -0.158 4.169 4.320 0.012 0.000 0.205 728 K C 2.079 178.692 176.600 0.022 0.000 1.049 728 K CA 1.396 57.691 56.287 0.014 0.000 0.936 728 K CB -0.078 32.426 32.500 0.007 0.000 0.722 728 K HN 0.732 nan 8.250 nan 0.000 0.446 729 E N 1.088 121.296 120.200 0.014 0.000 2.106 729 E HA -0.137 4.220 4.350 0.012 0.000 0.192 729 E C 1.855 178.501 176.600 0.077 0.000 0.984 729 E CA 0.638 57.055 56.400 0.030 0.000 0.806 729 E CB 0.086 29.793 29.700 0.012 0.000 0.750 729 E HN 0.205 nan 8.360 nan 0.000 0.458 730 L N 0.660 121.931 121.223 0.080 0.000 2.141 730 L HA -0.116 4.232 4.340 0.012 0.000 0.209 730 L C 2.649 179.680 176.870 0.268 0.000 1.094 730 L CA 1.171 56.120 54.840 0.182 0.000 0.763 730 L CB -0.392 41.641 42.059 -0.043 0.000 0.908 730 L HN 0.254 nan 8.230 nan 0.000 0.437 731 E N 0.697 120.976 120.200 0.131 0.000 2.072 731 E HA -0.212 4.145 4.350 0.012 0.000 0.191 731 E C 2.321 178.961 176.600 0.068 0.000 0.985 731 E CA 1.036 57.496 56.400 0.100 0.000 0.801 731 E CB 0.135 29.870 29.700 0.059 0.000 0.750 731 E HN 0.386 nan 8.360 nan 0.000 0.452 732 R N 0.195 120.727 120.500 0.053 0.000 2.148 732 R HA -0.057 4.291 4.340 0.012 0.000 0.227 732 R C 1.975 178.279 176.300 0.007 0.000 1.103 732 R CA 0.835 56.949 56.100 0.023 0.000 0.983 732 R CB 0.021 30.332 30.300 0.018 0.000 0.874 732 R HN 0.132 nan 8.270 nan 0.000 0.451 733 E N -0.191 120.033 120.200 0.040 0.000 2.418 733 E HA -0.037 4.320 4.350 0.012 0.000 0.197 733 E C 1.023 177.509 176.600 -0.189 0.000 1.026 733 E CA 0.859 57.242 56.400 -0.030 0.000 0.862 733 E CB 0.119 29.885 29.700 0.110 0.000 0.799 733 E HN 0.519 nan 8.360 nan 0.000 0.518 734 G N 1.351 110.089 108.800 -0.105 0.000 2.182 734 G HA2 -0.275 3.692 3.960 0.012 0.000 0.248 734 G HA3 -0.275 3.692 3.960 0.012 0.000 0.248 734 G C -0.091 174.581 174.900 -0.381 0.000 1.042 734 G CA -0.082 44.900 45.100 -0.197 0.000 0.775 734 G HN 0.142 nan 8.290 nan 0.000 0.501 735 F N 0.498 120.342 119.950 -0.177 0.000 2.518 735 F HA 0.337 4.871 4.527 0.012 0.000 0.359 735 F C 1.972 177.659 175.800 -0.190 0.000 1.118 735 F CA 0.038 57.926 58.000 -0.187 0.000 1.287 735 F CB 0.552 39.532 39.000 -0.035 0.000 1.132 735 F HN 0.188 nan 8.300 nan 0.000 0.587 736 H N 2.905 122.123 119.070 0.247 0.000 2.470 736 H HA 0.228 4.791 4.556 0.012 0.000 0.289 736 H C 0.387 175.823 175.328 0.180 0.000 1.033 736 H CA 1.030 57.188 56.048 0.183 0.000 1.331 736 H CB 0.362 30.230 29.762 0.176 0.000 1.414 736 H HN 0.343 nan 8.280 nan 0.000 0.545 737 I N 0.834 121.588 120.570 0.307 0.000 2.802 737 I HA 0.130 4.308 4.170 0.012 0.000 0.298 737 I C -1.159 175.042 176.117 0.141 0.000 1.176 737 I CA -1.105 60.318 61.300 0.205 0.000 1.025 737 I CB 3.362 41.495 38.000 0.222 0.000 1.243 737 I HN -0.141 nan 8.210 nan 0.000 0.424 738 L N 5.150 126.419 121.223 0.077 0.000 2.272 738 L HA 0.782 5.129 4.340 0.012 0.000 0.289 738 L C -0.195 176.690 176.870 0.025 0.000 1.032 738 L CA 0.020 54.873 54.840 0.022 0.000 0.810 738 L CB 1.163 43.229 42.059 0.012 0.000 1.205 738 L HN 0.684 nan 8.230 nan 0.000 0.422 739 A N 6.203 129.016 122.820 -0.011 0.000 2.317 739 A HA 0.742 5.069 4.320 0.012 0.000 0.327 739 A C -0.812 176.762 177.584 -0.015 0.000 1.178 739 A CA -0.606 51.415 52.037 -0.027 0.000 0.817 739 A CB 0.621 19.564 19.000 -0.094 0.000 1.189 739 A HN 0.551 nan 8.150 nan 0.000 0.489 740 I N 2.053 122.621 120.570 -0.003 0.000 2.330 740 I HA 0.310 4.487 4.170 0.012 0.000 0.289 740 I C 0.234 176.377 176.117 0.043 0.000 1.001 740 I CA -0.219 61.089 61.300 0.014 0.000 1.193 740 I CB 1.126 39.110 38.000 -0.027 0.000 1.345 740 I HN 0.736 nan 8.210 nan 0.000 0.461 741 K N 4.863 125.299 120.400 0.060 0.000 2.299 741 K HA 0.192 4.519 4.320 0.012 0.000 0.268 741 K C -0.416 176.271 176.600 0.145 0.000 1.075 741 K CA -0.361 55.972 56.287 0.077 0.000 0.936 741 K CB 0.557 33.023 32.500 -0.057 0.000 1.228 741 K HN 0.400 nan 8.250 nan 0.000 0.454 742 D N 6.017 126.524 120.400 0.178 0.000 2.639 742 D HA 0.008 4.655 4.640 0.012 0.000 0.233 742 D C 1.393 177.826 176.300 0.221 0.000 1.161 742 D CA -0.451 53.655 54.000 0.177 0.000 1.003 742 D CB 0.534 41.380 40.800 0.077 0.000 1.034 742 D HN 0.577 nan 8.370 nan 0.000 0.514 743 M N 0.304 120.018 119.600 0.189 0.000 2.446 743 M HA 0.020 4.508 4.480 0.012 0.000 0.263 743 M C 0.848 177.146 176.300 -0.003 0.000 1.066 743 M CA 1.048 56.442 55.300 0.157 0.000 1.087 743 M CB -0.799 31.826 32.600 0.042 0.000 1.406 743 M HN 0.238 nan 8.290 nan 0.000 0.459 744 A N 0.031 122.871 122.820 0.032 0.000 2.470 744 A HA 0.565 4.892 4.320 0.012 0.000 0.251 744 A C 1.405 178.974 177.584 -0.026 0.000 1.245 744 A CA 0.315 52.334 52.037 -0.031 0.000 0.932 744 A CB -0.528 18.461 19.000 -0.019 0.000 1.037 744 A HN 0.836 nan 8.150 nan 0.000 0.522 745 G N -0.039 108.787 108.800 0.042 0.000 2.295 745 G HA2 -0.237 3.730 3.960 0.012 0.000 0.287 745 G HA3 -0.237 3.730 3.960 0.012 0.000 0.287 745 G C 0.553 175.462 174.900 0.014 0.000 1.055 745 G CA 0.570 45.675 45.100 0.009 0.000 0.922 745 G HN 0.493 nan 8.290 nan 0.000 0.503 746 L N -1.289 120.010 121.223 0.126 0.000 2.477 746 L HA 0.284 4.632 4.340 0.012 0.000 0.220 746 L C 1.583 178.655 176.870 0.336 0.000 1.106 746 L CA -0.241 54.767 54.840 0.279 0.000 0.851 746 L CB 0.069 42.324 42.059 0.326 0.000 0.994 746 L HN 0.332 nan 8.230 nan 0.000 0.462 747 L N 2.207 123.469 121.223 0.065 0.000 2.536 747 L HA 0.085 4.432 4.340 0.012 0.000 0.282 747 L C 0.340 177.181 176.870 -0.048 0.000 1.147 747 L CA 0.388 55.087 54.840 -0.236 0.000 0.936 747 L CB -0.347 41.416 42.059 -0.493 0.000 1.279 747 L HN -0.016 nan 8.230 nan 0.000 0.461 748 K N 6.333 126.742 120.400 0.016 0.000 2.295 748 K HA 0.169 4.496 4.320 0.012 0.000 0.270 748 K C -1.554 175.029 176.600 -0.028 0.000 1.011 748 K CA -1.309 54.978 56.287 0.001 0.000 0.953 748 K CB 0.308 32.767 32.500 -0.067 0.000 0.956 748 K HN 0.314 nan 8.250 nan 0.000 0.477 749 P HA -0.319 nan 4.420 nan 0.000 0.218 749 P C 0.993 178.291 177.300 -0.005 0.000 1.165 749 P CA 1.529 64.614 63.100 -0.026 0.000 0.922 749 P CB 0.224 31.900 31.700 -0.039 0.000 0.794 750 K N -0.812 119.584 120.400 -0.007 0.000 2.097 750 K HA -0.058 4.269 4.320 0.012 0.000 0.206 750 K C 1.998 178.642 176.600 0.074 0.000 1.049 750 K CA 1.615 57.922 56.287 0.033 0.000 0.933 750 K CB -0.943 31.565 32.500 0.013 0.000 0.717 750 K HN 0.026 nan 8.250 nan 0.000 0.442 751 A N 1.006 123.845 122.820 0.032 0.000 1.908 751 A HA -0.135 4.192 4.320 0.012 0.000 0.218 751 A C 2.366 179.935 177.584 -0.025 0.000 1.181 751 A CA 2.134 54.187 52.037 0.027 0.000 0.627 751 A CB -0.609 18.406 19.000 0.025 0.000 0.818 751 A HN 0.346 nan 8.150 nan 0.000 0.445 752 A N -1.324 121.468 122.820 -0.046 0.000 1.865 752 A HA -0.171 4.156 4.320 0.012 0.000 0.217 752 A C 2.179 179.766 177.584 0.005 0.000 1.191 752 A CA 1.778 53.779 52.037 -0.061 0.000 0.623 752 A CB -0.970 18.012 19.000 -0.029 0.000 0.826 752 A HN 0.757 nan 8.150 nan 0.000 0.444 753 Y N 0.708 120.971 120.300 -0.061 0.000 2.224 753 Y HA -0.189 4.368 4.550 0.012 0.000 0.289 753 Y C 2.258 178.139 175.900 -0.031 0.000 1.146 753 Y CA 2.261 60.333 58.100 -0.047 0.000 1.182 753 Y CB -0.175 38.261 38.460 -0.042 0.000 0.983 753 Y HN 0.489 nan 8.280 nan 0.000 0.524 754 E N -0.618 119.599 120.200 0.028 0.000 2.112 754 E HA -0.149 4.209 4.350 0.012 0.000 0.190 754 E C 1.970 178.535 176.600 -0.059 0.000 0.979 754 E CA 0.956 57.336 56.400 -0.035 0.000 0.814 754 E CB -0.194 29.547 29.700 0.069 0.000 0.762 754 E HN 0.421 nan 8.360 nan 0.000 0.460 755 L N 0.988 122.185 121.223 -0.043 0.000 2.072 755 L HA -0.126 4.221 4.340 0.012 0.000 0.205 755 L C 1.937 178.764 176.870 -0.073 0.000 1.079 755 L CA 1.355 56.170 54.840 -0.040 0.000 0.752 755 L CB -0.136 41.866 42.059 -0.095 0.000 0.906 755 L HN 0.068 nan 8.230 nan 0.000 0.436 756 I N -0.010 120.493 120.570 -0.112 0.000 2.233 756 I HA -0.112 4.065 4.170 0.012 0.000 0.243 756 I C 2.607 178.641 176.117 -0.138 0.000 1.093 756 I CA 1.313 62.544 61.300 -0.116 0.000 1.380 756 I CB -2.233 35.696 38.000 -0.118 0.000 1.067 756 I HN 0.375 nan 8.210 nan 0.000 0.413 757 G N 1.005 109.673 108.800 -0.221 0.000 2.529 757 G HA2 -0.263 3.705 3.960 0.012 0.000 0.219 757 G HA3 -0.263 3.705 3.960 0.012 0.000 0.219 757 G C 1.542 176.360 174.900 -0.136 0.000 1.177 757 G CA 0.645 45.599 45.100 -0.243 0.000 0.773 757 G HN 0.364 nan 8.290 nan 0.000 0.573 758 E N 0.271 120.412 120.200 -0.098 0.000 2.077 758 E HA -0.047 4.310 4.350 0.012 0.000 0.193 758 E C 2.742 179.327 176.600 -0.024 0.000 0.989 758 E CA 0.580 56.957 56.400 -0.040 0.000 0.800 758 E CB -0.296 29.404 29.700 0.001 0.000 0.746 758 E HN 0.451 nan 8.360 nan 0.000 0.452 759 L N 0.856 122.062 121.223 -0.028 0.000 2.141 759 L HA -0.162 4.186 4.340 0.012 0.000 0.209 759 L C 2.533 179.386 176.870 -0.028 0.000 1.094 759 L CA 0.940 55.770 54.840 -0.016 0.000 0.763 759 L CB -0.320 41.728 42.059 -0.018 0.000 0.908 759 L HN 0.029 nan 8.230 nan 0.000 0.437 760 K N -0.374 119.996 120.400 -0.050 0.000 2.026 760 K HA -0.127 4.200 4.320 0.012 0.000 0.208 760 K C 2.319 178.898 176.600 -0.035 0.000 1.048 760 K CA 1.414 57.671 56.287 -0.050 0.000 0.929 760 K CB -0.264 32.194 32.500 -0.070 0.000 0.713 760 K HN 0.137 nan 8.250 nan 0.000 0.439 761 S N 0.575 116.254 115.700 -0.036 0.000 2.383 761 S HA -0.101 4.377 4.470 0.012 0.000 0.227 761 S C 1.986 176.580 174.600 -0.011 0.000 1.026 761 S CA 1.217 59.403 58.200 -0.023 0.000 0.981 761 S CB -0.064 63.121 63.200 -0.025 0.000 0.818 761 S HN 0.432 nan 8.310 nan 0.000 0.472 762 A N 0.930 123.747 122.820 -0.006 0.000 1.874 762 A HA 0.211 4.539 4.320 0.012 0.000 0.214 762 A C 1.247 178.835 177.584 0.005 0.000 1.189 762 A CA 1.185 53.223 52.037 0.003 0.000 0.615 762 A CB -0.496 18.510 19.000 0.011 0.000 0.830 762 A HN 0.455 nan 8.150 nan 0.000 0.443 766 L N 3.650 124.893 121.223 0.033 0.000 2.483 766 L HA 0.224 4.571 4.340 0.012 0.000 0.276 766 L C -1.790 175.091 176.870 0.018 0.000 1.213 766 L CA -0.613 54.255 54.840 0.046 0.000 0.843 766 L CB -0.514 41.584 42.059 0.064 0.000 1.107 766 L HN -0.115 nan 8.230 nan 0.000 0.487 767 P HA 0.187 nan 4.420 nan 0.000 0.275 767 P C -0.659 176.618 177.300 -0.038 0.000 1.227 767 P CA -0.111 62.967 63.100 -0.037 0.000 0.781 767 P CB 0.652 32.315 31.700 -0.062 0.000 0.906 768 I N 2.587 123.115 120.570 -0.069 0.000 2.336 768 I HA 0.260 4.438 4.170 0.012 0.000 0.292 768 I C 0.702 176.788 176.117 -0.053 0.000 0.991 768 I CA -0.455 60.818 61.300 -0.046 0.000 1.227 768 I CB 0.565 38.532 38.000 -0.055 0.000 1.366 768 I HN 0.435 nan 8.210 nan 0.000 0.466 769 H N 6.593 125.590 119.070 -0.122 0.000 2.587 769 H HA 0.491 5.055 4.556 0.013 0.000 0.325 769 H C -1.366 173.908 175.328 -0.089 0.000 1.012 769 H CA -1.024 54.938 56.048 -0.142 0.000 1.213 769 H CB 1.455 31.136 29.762 -0.134 0.000 1.431 769 H HN 0.446 nan 8.280 nan 0.000 0.492 770 L N 5.717 127.042 121.223 0.169 0.000 2.296 770 L HA 0.281 4.628 4.340 0.012 0.000 0.286 770 L C -1.275 175.669 176.870 0.124 0.000 1.023 770 L CA -0.448 54.431 54.840 0.065 0.000 0.812 770 L CB 0.912 42.947 42.059 -0.039 0.000 1.223 770 L HN 0.747 nan 8.230 nan 0.000 0.421 771 H N 2.780 121.860 119.070 0.017 0.000 2.589 771 H HA 0.659 5.223 4.556 0.012 0.000 0.335 771 H C -1.074 174.280 175.328 0.044 0.000 1.019 771 H CA -0.122 55.936 56.048 0.017 0.000 1.213 771 H CB 1.315 31.018 29.762 -0.098 0.000 1.472 771 H HN 0.716 nan 8.280 nan 0.000 0.508 772 T N 3.781 118.168 114.554 -0.277 0.000 2.901 772 T HA 0.321 4.678 4.350 0.012 0.000 0.293 772 T C -1.191 173.206 174.700 -0.504 0.000 1.084 772 T CA -0.656 61.283 62.100 -0.268 0.000 1.008 772 T CB 0.859 69.616 68.868 -0.185 0.000 1.170 772 T HN 0.661 nan 8.240 nan 0.000 0.509 773 H N 1.342 120.268 119.070 -0.240 0.000 2.567 773 H HA 0.299 4.863 4.556 0.012 0.000 0.345 773 H C -0.375 174.840 175.328 -0.189 0.000 1.169 773 H CA -0.450 55.480 56.048 -0.197 0.000 1.227 773 H CB 2.027 31.724 29.762 -0.108 0.000 1.607 773 H HN 0.593 nan 8.280 nan 0.000 0.534 774 D N 0.799 121.169 120.400 -0.050 0.000 2.427 774 D HA -0.050 4.597 4.640 0.012 0.000 0.224 774 D C 1.618 177.893 176.300 -0.043 0.000 1.157 774 D CA 0.046 53.990 54.000 -0.093 0.000 0.828 774 D CB 0.096 40.829 40.800 -0.110 0.000 0.974 774 D HN 0.615 nan 8.370 nan 0.000 0.498 775 T N -2.025 112.520 114.554 -0.016 0.000 2.929 775 T HA -0.168 4.189 4.350 0.012 0.000 0.271 775 T C 1.826 176.485 174.700 -0.069 0.000 1.085 775 T CA 2.048 64.141 62.100 -0.012 0.000 1.125 775 T CB -0.222 68.655 68.868 0.015 0.000 0.874 775 T HN 0.136 nan 8.240 nan 0.000 0.494 776 S N -0.550 115.078 115.700 -0.120 0.000 2.470 776 S HA 0.371 4.849 4.470 0.012 0.000 0.225 776 S C 2.032 176.605 174.600 -0.045 0.000 1.006 776 S CA 0.882 58.995 58.200 -0.145 0.000 0.934 776 S CB -0.497 62.592 63.200 -0.186 0.000 0.778 776 S HN 1.236 nan 8.310 nan 0.000 0.517 777 G N 1.589 110.367 108.800 -0.037 0.000 2.194 777 G HA2 -0.268 3.699 3.960 0.012 0.000 0.236 777 G HA3 -0.268 3.699 3.960 0.012 0.000 0.236 777 G C 0.420 175.307 174.900 -0.022 0.000 0.987 777 G CA 0.220 45.307 45.100 -0.022 0.000 0.635 777 G HN 0.608 nan 8.290 nan 0.000 0.520 778 N N 0.671 119.362 118.700 -0.014 0.000 2.270 778 N HA 0.327 5.074 4.740 0.012 0.000 0.198 778 N C 2.179 177.642 175.510 -0.080 0.000 1.117 778 N CA 0.390 53.430 53.050 -0.017 0.000 0.845 778 N CB 0.101 38.612 38.487 0.040 0.000 0.980 778 N HN 0.402 nan 8.380 nan 0.000 0.486 779 G N 1.743 110.462 108.800 -0.135 0.000 2.553 779 G HA2 -0.280 3.688 3.960 0.012 0.000 0.218 779 G HA3 -0.280 3.688 3.960 0.012 0.000 0.218 779 G C 1.335 176.031 174.900 -0.340 0.000 1.195 779 G CA 0.758 45.689 45.100 -0.281 0.000 0.779 779 G HN 0.197 nan 8.290 nan 0.000 0.577 780 L N -0.155 120.946 121.223 -0.204 0.000 2.046 780 L HA -0.020 4.327 4.340 0.012 0.000 0.208 780 L C 2.917 179.751 176.870 -0.060 0.000 1.077 780 L CA 0.500 55.273 54.840 -0.111 0.000 0.747 780 L CB -0.468 41.571 42.059 -0.034 0.000 0.896 780 L HN 0.177 nan 8.230 nan 0.000 0.432 781 L N -0.581 120.603 121.223 -0.064 0.000 2.081 781 L HA -0.273 4.074 4.340 0.012 0.000 0.212 781 L C 2.606 179.448 176.870 -0.046 0.000 1.080 781 L CA 1.662 56.469 54.840 -0.056 0.000 0.754 781 L CB -0.453 41.577 42.059 -0.047 0.000 0.893 781 L HN 0.352 nan 8.230 nan 0.000 0.433 782 T N -1.542 112.977 114.554 -0.058 0.000 2.701 782 T HA -0.215 4.142 4.350 0.012 0.000 0.263 782 T C 1.678 176.440 174.700 0.104 0.000 1.040 782 T CA 1.299 63.385 62.100 -0.023 0.000 1.147 782 T CB -0.474 68.344 68.868 -0.084 0.000 0.865 782 T HN 0.336 nan 8.240 nan 0.000 0.426 783 Y N 1.368 121.621 120.300 -0.079 0.000 2.114 783 Y HA -0.220 4.337 4.550 0.012 0.000 0.282 783 Y C 2.896 178.741 175.900 -0.093 0.000 1.165 783 Y CA 0.768 58.818 58.100 -0.082 0.000 1.148 783 Y CB -0.114 38.300 38.460 -0.077 0.000 0.972 783 Y HN 0.047 nan 8.280 nan 0.000 0.504 784 K N 0.570 121.005 120.400 0.057 0.000 2.057 784 K HA -0.208 4.119 4.320 0.012 0.000 0.207 784 K C 1.804 178.347 176.600 -0.096 0.000 1.049 784 K CA 1.407 57.643 56.287 -0.084 0.000 0.931 784 K CB -0.193 32.205 32.500 -0.171 0.000 0.714 784 K HN 0.347 nan 8.250 nan 0.000 0.440 785 Q N -0.156 119.617 119.800 -0.045 0.000 2.119 785 Q HA -0.037 4.310 4.340 0.012 0.000 0.201 785 Q C 2.049 178.105 176.000 0.092 0.000 0.972 785 Q CA 1.341 57.148 55.803 0.007 0.000 0.847 785 Q CB -0.234 28.513 28.738 0.015 0.000 0.903 785 Q HN 0.382 nan 8.270 nan 0.000 0.433 786 A N 0.809 123.658 122.820 0.047 0.000 1.902 786 A HA -0.150 4.178 4.320 0.012 0.000 0.217 786 A C 2.169 179.736 177.584 -0.028 0.000 1.181 786 A CA 1.067 53.109 52.037 0.008 0.000 0.623 786 A CB -0.674 18.322 19.000 -0.008 0.000 0.818 786 A HN 0.308 nan 8.150 nan 0.000 0.443 787 I N -0.064 120.477 120.570 -0.047 0.000 2.208 787 I HA -0.275 3.903 4.170 0.012 0.000 0.245 787 I C 1.943 178.043 176.117 -0.029 0.000 1.097 787 I CA 1.597 62.855 61.300 -0.069 0.000 1.363 787 I CB -0.411 37.536 38.000 -0.088 0.000 1.051 787 I HN 0.251 nan 8.210 nan 0.000 0.413 788 D N 0.876 121.282 120.400 0.010 0.000 2.144 788 D HA -0.140 4.508 4.640 0.012 0.000 0.199 788 D C 2.121 178.514 176.300 0.156 0.000 0.984 788 D CA 1.583 55.633 54.000 0.082 0.000 0.834 788 D CB -0.073 40.776 40.800 0.083 0.000 0.955 788 D HN 0.371 nan 8.370 nan 0.000 0.465 789 A N -0.643 122.251 122.820 0.124 0.000 2.206 789 A HA 0.367 4.694 4.320 0.012 0.000 0.211 789 A C 1.647 179.168 177.584 -0.103 0.000 1.158 789 A CA 1.262 53.239 52.037 -0.100 0.000 0.761 789 A CB 0.007 18.851 19.000 -0.260 0.000 0.801 789 A HN 0.284 nan 8.150 nan 0.000 0.473 790 G N -1.623 107.139 108.800 -0.064 0.000 2.143 790 G HA2 -0.102 3.866 3.960 0.012 0.000 0.175 790 G HA3 -0.102 3.866 3.960 0.012 0.000 0.175 790 G C 0.242 175.081 174.900 -0.102 0.000 1.004 790 G CA 0.011 45.064 45.100 -0.079 0.000 0.671 790 G HN 1.044 nan 8.290 nan 0.000 0.512 791 V N 0.675 120.523 119.914 -0.110 0.000 2.763 791 V HA 0.221 4.349 4.120 0.012 0.000 0.306 791 V C 1.357 177.350 176.094 -0.169 0.000 1.059 791 V CA 1.194 63.413 62.300 -0.135 0.000 1.138 791 V CB 0.820 32.558 31.823 -0.142 0.000 0.940 791 V HN 0.376 nan 8.190 nan 0.000 0.489 792 D N 4.621 124.905 120.400 -0.193 0.000 2.197 792 D HA 0.157 4.804 4.640 0.012 0.000 0.212 792 D C 0.167 176.272 176.300 -0.325 0.000 0.963 792 D CA 1.263 55.117 54.000 -0.244 0.000 0.864 792 D CB 0.559 41.212 40.800 -0.246 0.000 1.009 792 D HN 0.480 nan 8.370 nan 0.000 0.479 793 I N 0.865 121.201 120.570 -0.390 0.000 2.686 793 I HA 0.336 4.514 4.170 0.012 0.000 0.295 793 I C -0.680 175.205 176.117 -0.387 0.000 1.114 793 I CA -1.018 59.965 61.300 -0.530 0.000 1.038 793 I CB 2.611 39.944 38.000 -1.111 0.000 1.238 793 I HN -0.171 nan 8.210 nan 0.000 0.420 794 I N -0.201 120.155 120.570 -0.357 0.000 2.892 794 I HA 0.646 4.823 4.170 0.012 0.000 0.306 794 I C -1.345 174.671 176.117 -0.168 0.000 1.078 794 I CA -0.798 60.256 61.300 -0.410 0.000 1.032 794 I CB 1.957 39.361 38.000 -0.994 0.000 1.229 794 I HN 0.237 nan 8.210 nan 0.000 0.435 795 D N 3.143 123.517 120.400 -0.044 0.000 2.274 795 D HA 0.495 5.142 4.640 0.012 0.000 0.239 795 D C -0.201 176.164 176.300 0.108 0.000 1.104 795 D CA 0.080 54.134 54.000 0.090 0.000 0.840 795 D CB 1.839 42.746 40.800 0.178 0.000 1.100 795 D HN 0.834 nan 8.370 nan 0.000 0.477 796 T N -1.341 113.239 114.554 0.045 0.000 2.907 796 T HA 0.894 5.251 4.350 0.012 0.000 0.290 796 T C -0.513 174.173 174.700 -0.023 0.000 1.066 796 T CA -0.987 61.148 62.100 0.059 0.000 1.012 796 T CB 2.079 71.001 68.868 0.091 0.000 1.184 796 T HN 0.276 nan 8.240 nan 0.000 0.522 797 A N 0.907 123.717 122.820 -0.016 0.000 2.469 797 A HA 0.832 5.160 4.320 0.012 0.000 0.299 797 A C 0.258 177.851 177.584 0.014 0.000 1.098 797 A CA -0.628 51.380 52.037 -0.049 0.000 0.737 797 A CB 1.293 20.238 19.000 -0.091 0.000 1.312 797 A HN 1.899 nan 8.150 nan 0.000 0.414 798 V N -0.125 119.806 119.914 0.027 0.000 2.763 798 V HA 0.445 4.572 4.120 0.012 0.000 0.306 798 V C 1.476 177.597 176.094 0.045 0.000 1.059 798 V CA 0.423 62.772 62.300 0.082 0.000 1.138 798 V CB -0.119 31.803 31.823 0.165 0.000 0.940 798 V HN 1.938 nan 8.190 nan 0.000 0.489 799 A N 3.799 126.648 122.820 0.048 0.000 1.909 799 A HA -0.240 4.087 4.320 0.012 0.000 0.221 799 A C 2.393 179.995 177.584 0.030 0.000 1.223 799 A CA 3.329 55.386 52.037 0.032 0.000 0.658 799 A CB -1.470 17.541 19.000 0.018 0.000 0.831 799 A HN 1.903 nan 8.150 nan 0.000 0.462 800 S N -2.228 113.502 115.700 0.050 0.000 2.555 800 S HA 0.082 4.559 4.470 0.012 0.000 0.230 800 S C 1.144 175.775 174.600 0.051 0.000 0.978 800 S CA 1.254 59.494 58.200 0.066 0.000 0.934 800 S CB -0.071 63.198 63.200 0.114 0.000 0.766 800 S HN 0.375 nan 8.310 nan 0.000 0.533 801 M N 2.149 121.755 119.600 0.010 0.000 2.596 801 M HA 0.349 4.837 4.480 0.012 0.000 0.364 801 M C 0.313 176.581 176.300 -0.053 0.000 1.158 801 M CA -0.069 55.199 55.300 -0.053 0.000 0.940 801 M CB 0.060 32.547 32.600 -0.189 0.000 1.388 801 M HN 0.505 nan 8.290 nan 0.000 0.522 802 S N -0.832 114.854 115.700 -0.023 0.000 2.759 802 S HA 0.951 5.428 4.470 0.012 0.000 0.310 802 S C 0.377 174.966 174.600 -0.019 0.000 1.123 802 S CA 0.118 58.301 58.200 -0.029 0.000 0.959 802 S CB 2.416 65.606 63.200 -0.016 0.000 1.172 802 S HN 0.615 nan 8.310 nan 0.000 0.539 803 G N -0.226 108.556 108.800 -0.031 0.000 2.712 803 G HA2 0.078 4.045 3.960 0.012 0.000 0.683 803 G HA3 0.078 4.045 3.960 0.012 0.000 0.683 803 G C -0.076 174.818 174.900 -0.010 0.000 1.320 803 G CA -0.483 44.603 45.100 -0.023 0.000 0.847 803 G HN 1.712 nan 8.290 nan 0.000 0.553 804 L N -2.371 118.851 121.223 -0.002 0.000 6.136 804 L HA -0.373 3.974 4.340 0.012 0.000 0.053 804 L C 2.804 179.695 176.870 0.035 0.000 2.071 804 L CA 3.272 58.123 54.840 0.019 0.000 1.739 804 L CB -1.708 40.368 42.059 0.027 0.000 2.668 804 L HN 1.928 nan 8.230 nan 0.000 0.983 805 T N -2.713 111.871 114.554 0.050 0.000 3.155 805 T HA 0.044 4.401 4.350 0.012 0.000 0.264 805 T C 0.735 175.569 174.700 0.224 0.000 1.160 805 T CA 0.937 63.088 62.100 0.086 0.000 1.075 805 T CB 0.007 68.885 68.868 0.017 0.000 0.921 805 T HN 0.467 nan 8.240 nan 0.000 0.533 806 S N -0.055 115.704 115.700 0.099 0.000 2.719 806 S HA 0.475 4.952 4.470 0.012 0.000 0.285 806 S C -0.185 174.351 174.600 -0.107 0.000 1.137 806 S CA -0.790 57.425 58.200 0.026 0.000 1.012 806 S CB 0.843 64.030 63.200 -0.021 0.000 1.134 806 S HN 0.337 nan 8.310 nan 0.000 0.544 807 Q N 1.523 121.205 119.800 -0.196 0.000 2.417 807 Q HA 0.387 4.735 4.340 0.012 0.000 0.241 807 Q C -2.353 173.548 176.000 -0.164 0.000 1.008 807 Q CA -1.267 54.387 55.803 -0.248 0.000 0.901 807 Q CB -0.163 28.463 28.738 -0.187 0.000 1.259 807 Q HN 0.387 nan 8.270 nan 0.000 0.489 808 P HA -0.064 nan 4.420 nan 0.000 0.266 808 P C -0.711 176.571 177.300 -0.030 0.000 1.193 808 P CA 0.097 63.101 63.100 -0.160 0.000 0.770 808 P CB 0.562 32.063 31.700 -0.332 0.000 0.836 809 S N 2.436 118.133 115.700 -0.004 0.000 2.525 809 S HA 0.221 4.698 4.470 0.012 0.000 0.285 809 S C 1.466 176.118 174.600 0.087 0.000 1.283 809 S CA 0.079 58.303 58.200 0.039 0.000 1.072 809 S CB -0.160 63.066 63.200 0.042 0.000 0.867 809 S HN 0.442 nan 8.310 nan 0.000 0.492 810 A N 5.598 128.477 122.820 0.099 0.000 1.897 810 A HA -0.069 4.259 4.320 0.012 0.000 0.215 810 A C 2.061 179.734 177.584 0.148 0.000 1.181 810 A CA 1.284 53.400 52.037 0.131 0.000 0.620 810 A CB -0.778 18.312 19.000 0.150 0.000 0.821 810 A HN 0.964 nan 8.150 nan 0.000 0.443 811 N N 0.724 119.498 118.700 0.124 0.000 2.094 811 N HA -0.176 4.572 4.740 0.012 0.000 0.191 811 N C 1.930 177.601 175.510 0.268 0.000 1.023 811 N CA 2.001 55.137 53.050 0.144 0.000 0.857 811 N CB -0.220 38.328 38.487 0.101 0.000 1.013 811 N HN 0.640 nan 8.380 nan 0.000 0.426 812 S N 0.836 116.665 115.700 0.215 0.000 2.439 812 S HA 0.029 4.506 4.470 0.012 0.000 0.224 812 S C 1.986 176.726 174.600 0.232 0.000 1.029 812 S CA -0.021 58.323 58.200 0.241 0.000 0.946 812 S CB -0.364 62.922 63.200 0.142 0.000 0.797 812 S HN 0.089 nan 8.310 nan 0.000 0.504 813 L N 1.385 122.717 121.223 0.181 0.000 2.042 813 L HA -0.052 4.295 4.340 0.012 0.000 0.210 813 L C 2.139 179.097 176.870 0.145 0.000 1.076 813 L CA 1.704 56.633 54.840 0.148 0.000 0.749 813 L CB -1.278 40.867 42.059 0.143 0.000 0.893 813 L HN 0.372 nan 8.230 nan 0.000 0.432 814 Y N -0.785 119.533 120.300 0.030 0.000 2.014 814 Y HA -0.413 4.144 4.550 0.012 0.000 0.272 814 Y C 2.379 178.241 175.900 -0.064 0.000 1.164 814 Y CA 2.597 60.653 58.100 -0.074 0.000 1.114 814 Y CB -0.666 37.686 38.460 -0.181 0.000 0.961 814 Y HN 0.292 nan 8.280 nan 0.000 0.489 815 Y N -0.828 119.656 120.300 0.307 0.000 2.314 815 Y HA -0.077 4.480 4.550 0.012 0.000 0.293 815 Y C 2.540 178.521 175.900 0.135 0.000 1.129 815 Y CA 0.688 58.914 58.100 0.210 0.000 1.201 815 Y CB -0.671 37.916 38.460 0.212 0.000 0.999 815 Y HN 0.257 nan 8.280 nan 0.000 0.541 816 A N 0.096 123.078 122.820 0.270 0.000 1.978 816 A HA -0.165 4.162 4.320 0.012 0.000 0.220 816 A C 2.027 179.764 177.584 0.254 0.000 1.170 816 A CA 1.418 53.583 52.037 0.214 0.000 0.636 816 A CB -0.932 18.151 19.000 0.138 0.000 0.810 816 A HN 0.520 nan 8.150 nan 0.000 0.448 817 L N -0.249 121.083 121.223 0.181 0.000 2.492 817 L HA -0.023 4.324 4.340 0.012 0.000 0.223 817 L C 0.233 177.271 176.870 0.281 0.000 1.132 817 L CA -0.197 54.783 54.840 0.233 0.000 0.850 817 L CB -0.642 41.444 42.059 0.046 0.000 0.966 817 L HN 0.395 nan 8.230 nan 0.000 0.454 818 N N 1.094 119.885 118.700 0.150 0.000 2.294 818 N HA -0.010 4.738 4.740 0.012 0.000 0.263 818 N C 1.169 176.643 175.510 -0.060 0.000 1.281 818 N CA 0.666 53.744 53.050 0.047 0.000 0.846 818 N CB 0.381 38.918 38.487 0.084 0.000 1.061 818 N HN 0.340 nan 8.380 nan 0.000 0.478 819 G N 1.837 110.567 108.800 -0.116 0.000 2.179 819 G HA2 -0.302 3.665 3.960 0.012 0.000 0.260 819 G HA3 -0.302 3.665 3.960 0.012 0.000 0.260 819 G C -0.061 174.622 174.900 -0.361 0.000 0.977 819 G CA -0.191 44.760 45.100 -0.249 0.000 0.641 819 G HN 0.511 nan 8.290 nan 0.000 0.533 820 F N 0.389 120.327 119.950 -0.020 0.000 2.378 820 F HA 0.535 5.070 4.527 0.012 0.000 0.325 820 F C -0.756 175.030 175.800 -0.022 0.000 1.097 820 F CA -1.907 56.082 58.000 -0.019 0.000 1.079 820 F CB 1.087 40.078 39.000 -0.016 0.000 1.240 820 F HN -0.194 nan 8.300 nan 0.000 0.519 821 P HA 0.026 nan 4.420 nan 0.000 0.239 821 P C -0.607 176.731 177.300 0.063 0.000 1.184 821 P CA 0.802 63.954 63.100 0.087 0.000 0.760 821 P CB 0.212 31.958 31.700 0.077 0.000 0.884 822 R N -0.535 120.012 120.500 0.079 0.000 2.564 822 R HA 0.351 4.698 4.340 0.012 0.000 0.284 822 R C -1.150 175.185 176.300 0.057 0.000 1.031 822 R CA -0.740 55.386 56.100 0.042 0.000 0.904 822 R CB 1.581 31.882 30.300 0.001 0.000 1.199 822 R HN 0.057 nan 8.270 nan 0.000 0.443 823 H N 1.908 120.932 119.070 -0.077 0.000 2.458 823 H HA 0.318 4.882 4.556 0.012 0.000 0.330 823 H C -1.028 174.228 175.328 -0.121 0.000 1.111 823 H CA -0.683 55.289 56.048 -0.126 0.000 1.245 823 H CB 1.198 30.886 29.762 -0.124 0.000 1.456 823 H HN 0.377 nan 8.280 nan 0.000 0.488 824 L N 5.291 126.122 121.223 -0.652 0.000 2.325 824 L HA 0.279 4.627 4.340 0.012 0.000 0.284 824 L C 0.164 176.619 176.870 -0.691 0.000 1.089 824 L CA -0.009 54.526 54.840 -0.508 0.000 0.836 824 L CB 0.023 41.921 42.059 -0.267 0.000 1.184 824 L HN 0.667 nan 8.230 nan 0.000 0.444 825 R N 4.315 124.593 120.500 -0.369 0.000 2.351 825 R HA 0.292 4.639 4.340 0.012 0.000 0.321 825 R C -0.496 175.786 176.300 -0.029 0.000 1.182 825 R CA 0.436 56.426 56.100 -0.184 0.000 1.011 825 R CB -0.077 30.193 30.300 -0.051 0.000 1.048 825 R HN 0.870 nan 8.270 nan 0.000 0.490 826 T N 0.933 115.504 114.554 0.029 0.000 2.693 826 T HA 0.056 4.414 4.350 0.012 0.000 0.304 826 T C -1.982 172.737 174.700 0.031 0.000 1.471 826 T CA -0.780 61.349 62.100 0.048 0.000 0.993 826 T CB 1.452 70.359 68.868 0.065 0.000 1.554 826 T HN 0.489 nan 8.240 nan 0.000 0.496 827 D N 1.426 121.763 120.400 -0.105 0.000 2.473 827 D HA 0.342 4.989 4.640 0.012 0.000 0.226 827 D C 1.668 177.800 176.300 -0.280 0.000 1.089 827 D CA -0.783 53.118 54.000 -0.165 0.000 0.883 827 D CB 0.057 40.755 40.800 -0.170 0.000 1.029 827 D HN 0.551 nan 8.370 nan 0.000 0.517 828 I N 1.798 122.094 120.570 -0.457 0.000 2.127 828 I HA -0.163 4.015 4.170 0.012 0.000 0.241 828 I C 2.138 178.102 176.117 -0.254 0.000 1.075 828 I CA 0.761 61.749 61.300 -0.520 0.000 1.334 828 I CB -0.426 37.054 38.000 -0.865 0.000 1.040 828 I HN 0.297 nan 8.210 nan 0.000 0.405 829 E N 1.618 121.707 120.200 -0.185 0.000 2.086 829 E HA -0.228 4.129 4.350 0.012 0.000 0.205 829 E C 2.330 178.879 176.600 -0.086 0.000 1.027 829 E CA 2.330 58.678 56.400 -0.086 0.000 0.830 829 E CB -0.735 28.931 29.700 -0.057 0.000 0.751 829 E HN 0.552 nan 8.360 nan 0.000 0.456 830 G N 0.113 108.836 108.800 -0.130 0.000 2.476 830 G HA2 -0.296 3.672 3.960 0.012 0.000 0.218 830 G HA3 -0.296 3.672 3.960 0.012 0.000 0.218 830 G C 1.509 176.313 174.900 -0.159 0.000 1.164 830 G CA 1.314 46.324 45.100 -0.150 0.000 0.768 830 G HN 0.199 nan 8.290 nan 0.000 0.560 831 M N 0.387 119.869 119.600 -0.197 0.000 2.159 831 M HA -0.028 4.459 4.480 0.012 0.000 0.263 831 M C 2.467 178.722 176.300 -0.075 0.000 1.063 831 M CA 1.026 56.241 55.300 -0.143 0.000 1.110 831 M CB -0.628 31.892 32.600 -0.134 0.000 1.374 831 M HN 0.222 nan 8.290 nan 0.000 0.411 832 E N 0.058 120.209 120.200 -0.083 0.000 2.077 832 E HA -0.156 4.201 4.350 0.012 0.000 0.193 832 E C 2.111 178.646 176.600 -0.108 0.000 0.989 832 E CA 1.450 57.782 56.400 -0.113 0.000 0.800 832 E CB -0.518 29.164 29.700 -0.029 0.000 0.746 832 E HN 0.397 nan 8.360 nan 0.000 0.452 833 S N 0.565 116.278 115.700 0.023 0.000 2.355 833 S HA -0.069 4.408 4.470 0.012 0.000 0.222 833 S C 2.139 176.800 174.600 0.102 0.000 1.031 833 S CA 0.600 58.868 58.200 0.113 0.000 0.993 833 S CB -0.195 63.042 63.200 0.062 0.000 0.859 833 S HN 0.159 nan 8.310 nan 0.000 0.453 834 L N 0.995 122.253 121.223 0.058 0.000 2.079 834 L HA -0.101 4.246 4.340 0.012 0.000 0.210 834 L C 2.860 179.890 176.870 0.266 0.000 1.081 834 L CA 1.581 56.513 54.840 0.153 0.000 0.752 834 L CB -0.782 41.377 42.059 0.167 0.000 0.896 834 L HN 0.407 nan 8.230 nan 0.000 0.433 835 S N -1.208 114.566 115.700 0.124 0.000 2.368 835 S HA -0.196 4.281 4.470 0.012 0.000 0.225 835 S C 2.017 176.662 174.600 0.074 0.000 1.030 835 S CA 0.956 59.209 58.200 0.087 0.000 0.999 835 S CB -0.229 62.921 63.200 -0.083 0.000 0.844 835 S HN 0.444 nan 8.310 nan 0.000 0.459 836 H N -0.624 118.523 119.070 0.128 0.000 2.319 836 H HA -0.103 4.461 4.556 0.012 0.000 0.299 836 H C 1.964 177.332 175.328 0.066 0.000 1.092 836 H CA 1.832 57.930 56.048 0.084 0.000 1.302 836 H CB -1.070 28.728 29.762 0.061 0.000 1.373 836 H HN 0.668 nan 8.280 nan 0.000 0.497 837 Y N 0.186 120.524 120.300 0.063 0.000 2.128 837 Y HA -0.275 4.282 4.550 0.012 0.000 0.284 837 Y C 2.150 177.940 175.900 -0.184 0.000 1.154 837 Y CA 1.590 59.616 58.100 -0.123 0.000 1.149 837 Y CB -0.707 37.597 38.460 -0.259 0.000 0.976 837 Y HN 0.087 nan 8.280 nan 0.000 0.505 838 W N -0.440 120.928 121.300 0.112 0.000 2.465 838 W HA -0.099 4.568 4.660 0.011 0.000 0.268 838 W C 2.956 179.421 176.519 -0.090 0.000 1.242 838 W CA 1.036 58.380 57.345 -0.002 0.000 1.248 838 W CB -0.313 29.216 29.460 0.115 0.000 1.118 838 W HN 0.105 nan 8.180 nan 0.000 0.587 839 S N -0.646 115.136 115.700 0.136 0.000 2.371 839 S HA -0.144 4.333 4.470 0.012 0.000 0.224 839 S C 1.828 176.411 174.600 -0.029 0.000 1.029 839 S CA 1.974 60.221 58.200 0.079 0.000 0.978 839 S CB -0.516 62.748 63.200 0.106 0.000 0.833 839 S HN 0.111 nan 8.310 nan 0.000 0.466 840 T N 1.599 116.073 114.554 -0.133 0.000 2.777 840 T HA -0.008 4.349 4.350 0.012 0.000 0.266 840 T C 1.817 176.190 174.700 -0.545 0.000 1.040 840 T CA 1.415 63.371 62.100 -0.240 0.000 1.141 840 T CB -0.415 68.319 68.868 -0.224 0.000 0.868 840 T HN 0.242 nan 8.240 nan 0.000 0.444 841 V N 1.463 120.959 119.914 -0.696 0.000 2.407 841 V HA -0.143 3.985 4.120 0.012 0.000 0.248 841 V C 2.563 178.426 176.094 -0.386 0.000 1.055 841 V CA 1.622 63.361 62.300 -0.935 0.000 1.049 841 V CB -0.585 30.831 31.823 -0.678 0.000 0.662 841 V HN 0.353 nan 8.190 nan 0.000 0.455 842 R N -0.250 120.228 120.500 -0.036 0.000 2.120 842 R HA -0.171 4.176 4.340 0.012 0.000 0.234 842 R C 2.293 178.688 176.300 0.157 0.000 1.123 842 R CA 1.860 58.065 56.100 0.175 0.000 0.975 842 R CB -0.424 29.961 30.300 0.142 0.000 0.866 842 R HN 0.492 nan 8.270 nan 0.000 0.446 843 T N 0.183 114.723 114.554 -0.023 0.000 2.737 843 T HA -0.194 4.163 4.350 0.012 0.000 0.269 843 T C 1.192 176.007 174.700 0.192 0.000 1.040 843 T CA 1.630 63.778 62.100 0.079 0.000 1.142 843 T CB -0.331 68.584 68.868 0.079 0.000 0.861 843 T HN 0.465 nan 8.240 nan 0.000 0.456 844 Y N -1.086 119.183 120.300 -0.052 0.000 2.403 844 Y HA -0.085 4.472 4.550 0.012 0.000 0.291 844 Y C 1.197 177.040 175.900 -0.094 0.000 1.143 844 Y CA 0.232 58.204 58.100 -0.214 0.000 1.257 844 Y CB -0.235 37.953 38.460 -0.453 0.000 0.984 844 Y HN 0.305 nan 8.280 nan 0.000 0.550 845 Y N -0.636 119.869 120.300 0.341 0.000 2.658 845 Y HA 0.060 4.616 4.550 0.011 0.000 0.276 845 Y C 2.085 178.130 175.900 0.242 0.000 1.167 845 Y CA -0.215 58.093 58.100 0.347 0.000 1.230 845 Y CB 0.005 38.657 38.460 0.320 0.000 1.144 845 Y HN 0.078 nan 8.280 nan 0.000 0.529 846 S N -0.898 114.957 115.700 0.258 0.000 2.400 846 S HA -0.216 4.261 4.470 0.012 0.000 0.232 846 S C 1.429 176.038 174.600 0.015 0.000 1.025 846 S CA 1.644 59.932 58.200 0.148 0.000 0.993 846 S CB -0.186 63.099 63.200 0.141 0.000 0.808 846 S HN 0.449 nan 8.310 nan 0.000 0.478 847 D N 0.609 120.925 120.400 -0.139 0.000 2.309 847 D HA -0.024 4.623 4.640 0.012 0.000 0.212 847 D C 0.365 176.261 176.300 -0.674 0.000 0.968 847 D CA 0.933 54.648 54.000 -0.474 0.000 0.882 847 D CB -0.183 40.154 40.800 -0.772 0.000 0.918 847 D HN 0.586 nan 8.370 nan 0.000 0.503 848 F N 0.719 120.672 119.950 0.005 0.000 2.668 848 F HA 0.172 4.704 4.527 0.009 0.000 0.301 848 F C 1.249 177.059 175.800 0.017 0.000 1.106 848 F CA -0.440 57.564 58.000 0.007 0.000 1.289 848 F CB 0.356 39.379 39.000 0.039 0.000 1.006 848 F HN -0.355 nan 8.300 nan 0.000 0.535 853 D N 2.032 122.384 120.400 -0.079 0.000 2.116 853 D HA -0.059 4.589 4.640 0.012 0.000 0.193 853 D C 0.715 176.970 176.300 -0.075 0.000 0.998 853 D CA 1.504 55.450 54.000 -0.088 0.000 0.836 853 D CB -0.344 40.374 40.800 -0.138 0.000 0.951 853 D HN 0.660 nan 8.370 nan 0.000 0.449 854 I N 0.549 121.056 120.570 -0.105 0.000 2.742 854 I HA -0.092 4.085 4.170 0.012 0.000 0.287 854 I C 1.218 177.335 176.117 -0.001 0.000 1.186 854 I CA 0.683 61.950 61.300 -0.055 0.000 1.417 854 I CB 0.685 38.636 38.000 -0.082 0.000 1.377 854 I HN 0.033 nan 8.210 nan 0.000 0.556 855 K N 2.594 123.010 120.400 0.026 0.000 2.469 855 K HA 0.459 4.786 4.320 0.012 0.000 0.204 855 K C 0.003 176.627 176.600 0.040 0.000 1.047 855 K CA -0.400 55.904 56.287 0.028 0.000 1.072 855 K CB 0.823 33.336 32.500 0.021 0.000 0.863 855 K HN 0.351 nan 8.250 nan 0.000 0.530 856 S N 1.506 117.242 115.700 0.060 0.000 2.537 856 S HA 0.464 4.941 4.470 0.012 0.000 0.270 856 S C -2.848 171.792 174.600 0.066 0.000 1.142 856 S CA -1.357 56.877 58.200 0.057 0.000 0.870 856 S CB 1.294 64.528 63.200 0.056 0.000 1.112 856 S HN 0.159 nan 8.310 nan 0.000 0.466 857 P HA 0.141 nan 4.420 nan 0.000 0.268 857 P C -1.174 176.122 177.300 -0.007 0.000 1.208 857 P CA -0.106 63.003 63.100 0.014 0.000 0.777 857 P CB 0.211 31.913 31.700 0.003 0.000 0.875 858 N N 0.406 119.065 118.700 -0.067 0.000 2.533 858 N HA 0.123 4.870 4.740 0.012 0.000 0.289 858 N C 0.392 175.760 175.510 -0.236 0.000 1.103 858 N CA -0.357 52.599 53.050 -0.158 0.000 0.877 858 N CB 1.121 39.428 38.487 -0.300 0.000 1.419 858 N HN 0.290 nan 8.380 nan 0.000 0.517 859 T N -0.238 114.222 114.554 -0.157 0.000 3.107 859 T HA 0.092 4.449 4.350 0.012 0.000 0.249 859 T C 0.906 175.512 174.700 -0.156 0.000 1.096 859 T CA 0.343 62.359 62.100 -0.141 0.000 1.012 859 T CB 0.015 68.951 68.868 0.115 0.000 0.977 859 T HN 0.531 nan 8.240 nan 0.000 0.527 860 E N 0.552 120.632 120.200 -0.201 0.000 2.472 860 E HA 0.025 4.382 4.350 0.012 0.000 0.200 860 E C 1.451 177.696 176.600 -0.592 0.000 1.046 860 E CA 0.170 56.441 56.400 -0.215 0.000 0.871 860 E CB -0.392 29.262 29.700 -0.077 0.000 0.806 860 E HN 0.423 nan 8.360 nan 0.000 0.533 861 I N 0.617 120.781 120.570 -0.677 0.000 2.185 861 I HA -0.340 3.838 4.170 0.012 0.000 0.246 861 I C 1.660 177.411 176.117 -0.610 0.000 1.088 861 I CA 1.604 62.426 61.300 -0.796 0.000 1.347 861 I CB -0.284 37.324 38.000 -0.652 0.000 1.041 861 I HN 0.195 nan 8.210 nan 0.000 0.415 862 Y N 0.172 120.314 120.300 -0.264 0.000 2.639 862 Y HA -0.199 4.359 4.550 0.013 0.000 0.297 862 Y C 2.228 178.055 175.900 -0.121 0.000 1.151 862 Y CA 0.436 58.450 58.100 -0.143 0.000 1.335 862 Y CB -0.168 38.243 38.460 -0.082 0.000 0.994 862 Y HN 0.400 nan 8.280 nan 0.000 0.548 863 Q N -0.701 119.058 119.800 -0.067 0.000 2.511 863 Q HA -0.036 4.311 4.340 0.012 0.000 0.236 863 Q C 1.586 177.596 176.000 0.017 0.000 0.893 863 Q CA 1.021 56.826 55.803 0.003 0.000 0.947 863 Q CB -0.586 28.175 28.738 0.038 0.000 1.110 863 Q HN 0.696 nan 8.270 nan 0.000 0.591 864 H N 0.788 119.860 119.070 0.003 0.000 2.547 864 H HA 0.270 4.834 4.556 0.013 0.000 0.272 864 H C -0.269 175.089 175.328 0.051 0.000 0.971 864 H CA 0.707 56.771 56.048 0.027 0.000 1.245 864 H CB 0.227 29.938 29.762 -0.084 0.000 1.440 864 H HN 0.238 nan 8.280 nan 0.000 0.540 865 E N 0.575 120.699 120.200 -0.127 0.000 2.971 865 E HA -0.187 4.171 4.350 0.012 0.000 0.278 865 E C -0.535 176.120 176.600 0.091 0.000 1.009 865 E CA 0.433 56.814 56.400 -0.031 0.000 0.862 865 E CB -1.536 28.162 29.700 -0.004 0.000 1.436 865 E HN 0.572 nan 8.360 nan 0.000 0.434 866 M N 1.812 121.512 119.600 0.167 0.000 2.303 866 M HA 0.092 4.579 4.480 0.012 0.000 0.350 866 M C -1.715 174.612 176.300 0.046 0.000 1.518 866 M CA -0.805 54.518 55.300 0.039 0.000 1.070 866 M CB -0.212 32.324 32.600 -0.107 0.000 1.910 866 M HN -0.113 nan 8.290 nan 0.000 0.458 867 P HA 0.122 nan 4.420 nan 0.000 0.274 867 P C 0.687 177.942 177.300 -0.075 0.000 1.256 867 P CA 0.105 63.187 63.100 -0.030 0.000 0.795 867 P CB 0.349 32.041 31.700 -0.012 0.000 1.038 868 G N 1.133 109.800 108.800 -0.222 0.000 2.699 868 G HA2 -0.379 3.588 3.960 0.012 0.000 0.408 868 G HA3 -0.379 3.588 3.960 0.012 0.000 0.408 868 G C 1.371 176.196 174.900 -0.126 0.000 1.112 868 G CA 1.246 46.172 45.100 -0.289 0.000 0.885 868 G HN 0.701 nan 8.290 nan 0.000 0.690 869 G N -1.016 107.718 108.800 -0.109 0.000 2.403 869 G HA2 -0.040 3.927 3.960 0.012 0.000 0.216 869 G HA3 -0.040 3.927 3.960 0.012 0.000 0.216 869 G C 1.684 176.504 174.900 -0.133 0.000 1.154 869 G CA 1.496 46.525 45.100 -0.119 0.000 0.784 869 G HN 0.853 nan 8.290 nan 0.000 0.538 870 Q N -0.069 119.695 119.800 -0.061 0.000 2.182 870 Q HA -0.316 4.031 4.340 0.012 0.000 0.213 870 Q C 2.148 178.125 176.000 -0.037 0.000 1.000 870 Q CA 2.202 57.983 55.803 -0.037 0.000 0.889 870 Q CB -0.445 28.290 28.738 -0.005 0.000 0.932 870 Q HN 0.796 nan 8.270 nan 0.000 0.415 871 Y N -0.438 119.828 120.300 -0.057 0.000 2.716 871 Y HA -0.067 4.491 4.550 0.013 0.000 0.302 871 Y C 1.690 177.595 175.900 0.007 0.000 1.160 871 Y CA 1.152 59.243 58.100 -0.016 0.000 1.362 871 Y CB -0.362 38.094 38.460 -0.007 0.000 0.988 871 Y HN 0.201 nan 8.280 nan 0.000 0.546 872 S N -0.950 114.497 115.700 -0.422 0.000 2.591 872 S HA -0.022 4.455 4.470 0.012 0.000 0.235 872 S C 1.627 176.091 174.600 -0.226 0.000 1.074 872 S CA 0.240 58.212 58.200 -0.380 0.000 0.925 872 S CB -0.644 62.296 63.200 -0.434 0.000 0.818 872 S HN 0.453 nan 8.310 nan 0.000 0.535 873 N N 1.975 120.580 118.700 -0.157 0.000 2.091 873 N HA -0.118 4.629 4.740 0.012 0.000 0.193 873 N C 1.607 177.080 175.510 -0.061 0.000 1.021 873 N CA 1.589 54.589 53.050 -0.084 0.000 0.862 873 N CB -0.558 37.906 38.487 -0.039 0.000 1.018 873 N HN 0.318 nan 8.380 nan 0.000 0.429 874 L N 0.714 121.919 121.223 -0.030 0.000 2.240 874 L HA 0.025 4.372 4.340 0.012 0.000 0.211 874 L C 2.458 179.303 176.870 -0.042 0.000 1.106 874 L CA 1.003 55.873 54.840 0.050 0.000 0.793 874 L CB -0.441 41.708 42.059 0.151 0.000 0.927 874 L HN 0.004 nan 8.230 nan 0.000 0.446 875 S N -1.284 114.209 115.700 -0.346 0.000 2.368 875 S HA -0.192 4.285 4.470 0.012 0.000 0.224 875 S C 1.932 176.306 174.600 -0.376 0.000 1.029 875 S CA 1.208 58.924 58.200 -0.806 0.000 0.988 875 S CB -0.088 62.498 63.200 -1.023 0.000 0.838 875 S HN 0.563 nan 8.310 nan 0.000 0.462 876 Q N 0.366 120.025 119.800 -0.235 0.000 2.030 876 Q HA -0.234 4.113 4.340 0.012 0.000 0.204 876 Q C 2.389 178.338 176.000 -0.085 0.000 0.986 876 Q CA 1.940 57.661 55.803 -0.138 0.000 0.843 876 Q CB -0.301 28.378 28.738 -0.099 0.000 0.904 876 Q HN 0.642 nan 8.270 nan 0.000 0.420 877 Q N -0.214 119.554 119.800 -0.053 0.000 2.124 877 Q HA -0.148 4.199 4.340 0.012 0.000 0.202 877 Q C 1.867 177.874 176.000 0.012 0.000 0.977 877 Q CA 1.311 57.114 55.803 0.000 0.000 0.850 877 Q CB -0.064 28.696 28.738 0.037 0.000 0.901 877 Q HN 0.390 nan 8.270 nan 0.000 0.429 878 A N 0.411 123.231 122.820 -0.001 0.000 2.014 878 A HA -0.117 4.211 4.320 0.012 0.000 0.218 878 A C 1.808 179.393 177.584 0.001 0.000 1.163 878 A CA 1.068 53.129 52.037 0.041 0.000 0.652 878 A CB -0.159 18.918 19.000 0.129 0.000 0.808 878 A HN 0.235 nan 8.150 nan 0.000 0.449 879 K N -0.106 120.262 120.400 -0.054 0.000 2.103 879 K HA -0.029 4.298 4.320 0.012 0.000 0.204 879 K C 2.202 178.790 176.600 -0.020 0.000 1.052 879 K CA 1.219 57.478 56.287 -0.046 0.000 0.945 879 K CB -0.137 32.317 32.500 -0.077 0.000 0.722 879 K HN 0.399 nan 8.250 nan 0.000 0.443 880 S N 1.550 117.241 115.700 -0.015 0.000 2.383 880 S HA -0.085 4.393 4.470 0.012 0.000 0.229 880 S C 1.640 176.245 174.600 0.009 0.000 1.030 880 S CA 1.102 59.302 58.200 -0.001 0.000 1.002 880 S CB -0.114 63.090 63.200 0.007 0.000 0.829 880 S HN 0.223 nan 8.310 nan 0.000 0.467 881 L N 0.454 121.687 121.223 0.016 0.000 2.611 881 L HA 0.315 4.663 4.340 0.012 0.000 0.229 881 L C 1.468 178.346 176.870 0.014 0.000 1.137 881 L CA 0.225 55.077 54.840 0.020 0.000 0.901 881 L CB -0.488 41.591 42.059 0.033 0.000 1.098 881 L HN 0.407 nan 8.230 nan 0.000 0.456 882 G N 0.873 109.679 108.800 0.010 0.000 2.160 882 G HA2 -0.281 3.686 3.960 0.012 0.000 0.251 882 G HA3 -0.281 3.686 3.960 0.012 0.000 0.251 882 G C 0.430 175.340 174.900 0.017 0.000 1.008 882 G CA 0.218 45.323 45.100 0.008 0.000 0.724 882 G HN 0.374 nan 8.290 nan 0.000 0.514 883 L N 0.331 121.572 121.223 0.030 0.000 2.741 883 L HA 0.343 4.691 4.340 0.012 0.000 0.237 883 L C 2.531 179.442 176.870 0.069 0.000 1.178 883 L CA 0.372 55.244 54.840 0.053 0.000 0.973 883 L CB 0.050 42.154 42.059 0.075 0.000 1.255 883 L HN 0.236 nan 8.230 nan 0.000 0.498 884 G N 0.257 109.075 108.800 0.031 0.000 2.469 884 G HA2 -0.228 3.739 3.960 0.012 0.000 0.220 884 G HA3 -0.228 3.739 3.960 0.012 0.000 0.220 884 G C 1.377 176.303 174.900 0.043 0.000 1.136 884 G CA 0.608 45.714 45.100 0.009 0.000 0.759 884 G HN 0.302 nan 8.290 nan 0.000 0.562 885 E N 0.088 120.315 120.200 0.045 0.000 2.482 885 E HA 0.055 4.412 4.350 0.012 0.000 0.196 885 E C 1.591 178.234 176.600 0.072 0.000 1.047 885 E CA 0.257 56.687 56.400 0.051 0.000 0.869 885 E CB 0.162 29.882 29.700 0.032 0.000 0.836 885 E HN 0.419 nan 8.360 nan 0.000 0.520 886 R N -0.361 120.196 120.500 0.094 0.000 2.700 886 R HA 0.185 4.532 4.340 0.012 0.000 0.399 886 R C 0.730 177.116 176.300 0.142 0.000 1.115 886 R CA -0.283 55.871 56.100 0.090 0.000 1.058 886 R CB -0.088 30.247 30.300 0.059 0.000 1.389 886 R HN -0.053 nan 8.270 nan 0.000 0.582 887 F N 2.763 122.713 119.950 -0.000 0.000 2.293 887 F HA -0.166 4.369 4.527 0.012 0.000 0.300 887 F C 1.840 177.633 175.800 -0.011 0.000 1.086 887 F CA 1.554 59.550 58.000 -0.007 0.000 1.375 887 F CB 0.175 39.170 39.000 -0.008 0.000 1.045 887 F HN 0.157 nan 8.300 nan 0.000 0.516 888 D N -0.183 120.191 120.400 -0.042 0.000 2.144 888 D HA -0.242 4.405 4.640 0.012 0.000 0.199 888 D C 1.706 177.925 176.300 -0.135 0.000 0.984 888 D CA 1.543 55.468 54.000 -0.125 0.000 0.834 888 D CB -0.868 39.915 40.800 -0.028 0.000 0.955 888 D HN 0.429 nan 8.370 nan 0.000 0.465 889 E N 0.388 120.547 120.200 -0.069 0.000 2.106 889 E HA -0.084 4.273 4.350 0.012 0.000 0.192 889 E C 2.441 178.999 176.600 -0.071 0.000 0.984 889 E CA 0.580 56.952 56.400 -0.046 0.000 0.806 889 E CB 0.136 29.832 29.700 -0.008 0.000 0.750 889 E HN 0.132 nan 8.360 nan 0.000 0.458 890 V N 1.461 121.308 119.914 -0.112 0.000 2.295 890 V HA -0.267 3.860 4.120 0.012 0.000 0.246 890 V C 2.090 178.048 176.094 -0.226 0.000 1.049 890 V CA 1.735 63.965 62.300 -0.118 0.000 1.024 890 V CB -0.373 31.427 31.823 -0.038 0.000 0.648 890 V HN 0.173 nan 8.190 nan 0.000 0.447 891 K N -0.164 119.941 120.400 -0.492 0.000 2.097 891 K HA -0.224 4.103 4.320 0.012 0.000 0.206 891 K C 1.970 178.489 176.600 -0.134 0.000 1.049 891 K CA 1.717 57.728 56.287 -0.460 0.000 0.933 891 K CB -0.281 31.856 32.500 -0.606 0.000 0.717 891 K HN 0.481 nan 8.250 nan 0.000 0.442 892 D N 0.648 120.989 120.400 -0.098 0.000 2.117 892 D HA -0.159 4.488 4.640 0.012 0.000 0.198 892 D C 1.847 178.161 176.300 0.025 0.000 0.982 892 D CA 1.055 55.049 54.000 -0.010 0.000 0.828 892 D CB 0.124 40.916 40.800 -0.014 0.000 0.967 892 D HN -0.051 nan 8.370 nan 0.000 0.464 893 M N -0.930 118.676 119.600 0.010 0.000 2.156 893 M HA -0.043 4.445 4.480 0.012 0.000 0.264 893 M C 1.752 178.062 176.300 0.017 0.000 1.067 893 M CA 1.147 56.458 55.300 0.018 0.000 1.131 893 M CB -0.840 31.771 32.600 0.017 0.000 1.368 893 M HN 0.166 nan 8.290 nan 0.000 0.416 894 Y N 0.405 120.651 120.300 -0.089 0.000 2.102 894 Y HA -0.351 4.206 4.550 0.011 0.000 0.280 894 Y C 2.619 178.465 175.900 -0.089 0.000 1.178 894 Y CA 2.641 60.681 58.100 -0.100 0.000 1.146 894 Y CB -0.315 38.077 38.460 -0.114 0.000 0.968 894 Y HN 0.261 nan 8.280 nan 0.000 0.504 895 R N 0.058 120.651 120.500 0.154 0.000 2.096 895 R HA -0.157 4.190 4.340 0.012 0.000 0.235 895 R C 2.387 178.735 176.300 0.081 0.000 1.127 895 R CA 1.538 57.707 56.100 0.115 0.000 0.968 895 R CB -0.144 30.268 30.300 0.186 0.000 0.861 895 R HN 0.346 nan 8.270 nan 0.000 0.440 896 R N -0.255 120.291 120.500 0.077 0.000 2.073 896 R HA -0.050 4.297 4.340 0.012 0.000 0.229 896 R C 2.294 178.584 176.300 -0.017 0.000 1.120 896 R CA 1.352 57.516 56.100 0.107 0.000 0.967 896 R CB -0.336 30.004 30.300 0.067 0.000 0.862 896 R HN 0.095 nan 8.270 nan 0.000 0.436 897 V N 2.394 122.193 119.914 -0.192 0.000 2.317 897 V HA -0.347 3.780 4.120 0.012 0.000 0.251 897 V C 2.291 178.057 176.094 -0.547 0.000 1.065 897 V CA 2.051 64.065 62.300 -0.478 0.000 1.049 897 V CB -0.849 30.598 31.823 -0.626 0.000 0.651 897 V HN 0.506 nan 8.190 nan 0.000 0.450 898 N N -0.161 118.265 118.700 -0.455 0.000 2.104 898 N HA -0.203 4.544 4.740 0.012 0.000 0.190 898 N C 1.912 177.195 175.510 -0.377 0.000 1.024 898 N CA 1.930 54.697 53.050 -0.471 0.000 0.853 898 N CB -0.170 37.976 38.487 -0.569 0.000 1.008 898 N HN 0.515 nan 8.380 nan 0.000 0.424 899 F N 0.652 120.573 119.950 -0.047 0.000 2.293 899 F HA -0.025 4.509 4.527 0.013 0.000 0.297 899 F C 2.240 178.080 175.800 0.067 0.000 1.089 899 F CA 0.052 58.062 58.000 0.017 0.000 1.377 899 F CB -0.283 38.724 39.000 0.011 0.000 1.051 899 F HN 0.051 nan 8.300 nan 0.000 0.511 900 L N -0.727 120.611 121.223 0.191 0.000 2.127 900 L HA -0.179 4.168 4.340 0.012 0.000 0.211 900 L C 1.504 178.668 176.870 0.489 0.000 1.089 900 L CA 1.836 56.822 54.840 0.244 0.000 0.757 900 L CB -0.728 41.410 42.059 0.133 0.000 0.899 900 L HN -0.004 nan 8.230 nan 0.000 0.434 901 F N 0.035 120.075 119.950 0.151 0.000 2.765 901 F HA 0.417 4.950 4.527 0.011 0.000 0.302 901 F C 1.891 177.766 175.800 0.126 0.000 1.111 901 F CA -0.020 58.111 58.000 0.218 0.000 1.359 901 F CB -0.559 38.517 39.000 0.127 0.000 1.097 901 F HN 0.228 nan 8.300 nan 0.000 0.577 902 G N 0.534 109.495 108.800 0.267 0.000 2.148 902 G HA2 -0.217 3.750 3.960 0.012 0.000 0.203 902 G HA3 -0.217 3.750 3.960 0.012 0.000 0.203 902 G C -0.209 174.753 174.900 0.102 0.000 0.993 902 G CA -0.172 45.024 45.100 0.159 0.000 0.661 902 G HN 0.308 nan 8.290 nan 0.000 0.518 903 D N -0.535 119.876 120.400 0.018 0.000 4.520 903 D HA -0.132 4.516 4.640 0.012 0.000 0.245 903 D C 0.347 176.671 176.300 0.039 0.000 1.068 903 D CA 1.506 55.453 54.000 -0.090 0.000 1.211 903 D CB -1.282 39.563 40.800 0.075 0.000 0.818 903 D HN 1.699 nan 8.370 nan 0.000 0.392 904 I N -1.457 119.058 120.570 -0.090 0.000 2.797 904 I HA 0.723 4.900 4.170 0.012 0.000 0.307 904 I C 0.333 176.348 176.117 -0.170 0.000 1.033 904 I CA -1.301 59.969 61.300 -0.051 0.000 1.071 904 I CB 1.869 39.835 38.000 -0.057 0.000 1.255 904 I HN -0.042 nan 8.210 nan 0.000 0.445 905 V N 3.679 123.525 119.914 -0.113 0.000 2.585 905 V HA 0.098 4.225 4.120 0.012 0.000 0.296 905 V C 0.296 176.355 176.094 -0.059 0.000 1.035 905 V CA -0.007 62.223 62.300 -0.117 0.000 1.084 905 V CB 0.342 32.176 31.823 0.019 0.000 0.953 905 V HN 0.672 nan 8.190 nan 0.000 0.483 906 K N 4.421 124.792 120.400 -0.048 0.000 2.484 906 K HA 0.594 4.921 4.320 0.012 0.000 0.226 906 K C -1.154 175.477 176.600 0.053 0.000 1.031 906 K CA -0.270 56.015 56.287 -0.002 0.000 1.026 906 K CB 1.382 33.890 32.500 0.013 0.000 1.412 906 K HN 0.541 nan 8.250 nan 0.000 0.492 907 V N 0.081 120.045 119.914 0.085 0.000 3.040 907 V HA 0.579 4.706 4.120 0.012 0.000 0.312 907 V C 0.147 176.327 176.094 0.142 0.000 1.115 907 V CA -1.703 60.670 62.300 0.121 0.000 0.998 907 V CB 1.738 33.675 31.823 0.191 0.000 1.042 907 V HN 0.671 nan 8.190 nan 0.000 0.433 908 A N 3.151 126.059 122.820 0.147 0.000 2.580 908 A HA 0.342 4.670 4.320 0.012 0.000 0.244 908 A C -1.349 176.338 177.584 0.172 0.000 1.045 908 A CA 0.064 52.190 52.037 0.149 0.000 0.761 908 A CB -0.310 18.782 19.000 0.153 0.000 0.962 908 A HN 0.802 nan 8.150 nan 0.000 0.512 909 P HA 0.046 nan 4.420 nan 0.000 0.268 909 P C 1.055 178.388 177.300 0.055 0.000 1.329 909 P CA 0.603 63.760 63.100 0.096 0.000 0.899 909 P CB 0.173 31.928 31.700 0.092 0.000 1.378 910 S N 0.517 116.238 115.700 0.034 0.000 2.368 910 S HA -0.154 4.323 4.470 0.012 0.000 0.224 910 S C 2.017 176.571 174.600 -0.077 0.000 1.029 910 S CA 1.671 59.829 58.200 -0.071 0.000 0.988 910 S CB -1.666 61.491 63.200 -0.072 0.000 0.838 910 S HN 0.278 nan 8.310 nan 0.000 0.462 911 S N 2.266 117.975 115.700 0.015 0.000 2.419 911 S HA -0.078 4.399 4.470 0.012 0.000 0.233 911 S C 1.784 176.455 174.600 0.118 0.000 1.016 911 S CA 1.142 59.393 58.200 0.084 0.000 0.974 911 S CB -0.519 62.770 63.200 0.148 0.000 0.786 911 S HN 0.629 nan 8.310 nan 0.000 0.492 912 K N 1.288 121.741 120.400 0.089 0.000 2.057 912 K HA -0.047 4.281 4.320 0.012 0.000 0.206 912 K C 1.965 178.614 176.600 0.081 0.000 1.050 912 K CA 1.406 57.754 56.287 0.101 0.000 0.935 912 K CB -0.418 32.139 32.500 0.096 0.000 0.715 912 K HN 0.306 nan 8.250 nan 0.000 0.439 913 V N 1.013 120.944 119.914 0.029 0.000 2.282 913 V HA -0.268 3.860 4.120 0.012 0.000 0.249 913 V C 2.367 178.480 176.094 0.031 0.000 1.057 913 V CA 1.769 64.087 62.300 0.031 0.000 1.032 913 V CB -0.297 31.458 31.823 -0.113 0.000 0.645 913 V HN 0.174 nan 8.190 nan 0.000 0.447 914 V N 0.570 120.413 119.914 -0.118 0.000 2.453 914 V HA -0.105 4.022 4.120 0.012 0.000 0.247 914 V C 2.594 178.543 176.094 -0.241 0.000 1.048 914 V CA 1.968 64.046 62.300 -0.370 0.000 1.049 914 V CB -1.242 30.122 31.823 -0.765 0.000 0.672 914 V HN 0.611 nan 8.190 nan 0.000 0.457 915 G N -0.257 108.592 108.800 0.081 0.000 2.418 915 G HA2 -0.252 3.715 3.960 0.012 0.000 0.217 915 G HA3 -0.252 3.715 3.960 0.012 0.000 0.217 915 G C 1.203 176.215 174.900 0.186 0.000 1.158 915 G CA 1.070 46.355 45.100 0.308 0.000 0.771 915 G HN 0.491 nan 8.290 nan 0.000 0.545 916 D N -0.066 120.422 120.400 0.148 0.000 2.104 916 D HA -0.104 4.544 4.640 0.012 0.000 0.194 916 D C 2.281 178.692 176.300 0.185 0.000 0.994 916 D CA 0.983 55.076 54.000 0.156 0.000 0.830 916 D CB -0.288 40.594 40.800 0.137 0.000 0.959 916 D HN 0.236 nan 8.370 nan 0.000 0.452 917 M N 0.571 120.264 119.600 0.156 0.000 2.175 917 M HA -0.009 4.478 4.480 0.012 0.000 0.264 917 M C 1.802 178.203 176.300 0.169 0.000 1.063 917 M CA 1.241 56.656 55.300 0.192 0.000 1.119 917 M CB -0.426 32.238 32.600 0.107 0.000 1.377 917 M HN -0.005 nan 8.290 nan 0.000 0.415 918 A N -0.079 122.788 122.820 0.077 0.000 1.855 918 A HA -0.088 4.239 4.320 0.012 0.000 0.215 918 A C 1.956 179.618 177.584 0.130 0.000 1.191 918 A CA 1.510 53.595 52.037 0.080 0.000 0.613 918 A CB -1.066 17.991 19.000 0.095 0.000 0.829 918 A HN 0.467 nan 8.150 nan 0.000 0.442 919 L N -1.494 119.825 121.223 0.160 0.000 2.021 919 L HA -0.237 4.110 4.340 0.012 0.000 0.215 919 L C 2.409 179.368 176.870 0.148 0.000 1.074 919 L CA 2.254 57.185 54.840 0.152 0.000 0.760 919 L CB -1.594 40.563 42.059 0.163 0.000 0.889 919 L HN 0.622 nan 8.230 nan 0.000 0.433 920 Y N -0.906 119.438 120.300 0.073 0.000 2.224 920 Y HA -0.261 4.295 4.550 0.011 0.000 0.289 920 Y C 2.595 178.522 175.900 0.045 0.000 1.146 920 Y CA 1.709 59.845 58.100 0.061 0.000 1.182 920 Y CB -0.100 38.416 38.460 0.094 0.000 0.983 920 Y HN 0.138 nan 8.280 nan 0.000 0.524 921 M N -1.622 118.058 119.600 0.134 0.000 2.156 921 M HA -0.178 4.310 4.480 0.012 0.000 0.264 921 M C 1.972 178.256 176.300 -0.027 0.000 1.067 921 M CA 1.285 56.615 55.300 0.050 0.000 1.131 921 M CB -0.285 32.388 32.600 0.121 0.000 1.368 921 M HN 0.104 nan 8.290 nan 0.000 0.416 922 V N 0.280 120.195 119.914 0.002 0.000 2.295 922 V HA -0.299 3.828 4.120 0.012 0.000 0.246 922 V C 2.265 178.334 176.094 -0.042 0.000 1.049 922 V CA 2.142 64.438 62.300 -0.007 0.000 1.024 922 V CB -0.916 30.921 31.823 0.022 0.000 0.648 922 V HN 0.544 nan 8.190 nan 0.000 0.447 923 Q N 0.300 120.064 119.800 -0.061 0.000 2.135 923 Q HA -0.200 4.147 4.340 0.012 0.000 0.204 923 Q C 1.519 177.426 176.000 -0.155 0.000 0.981 923 Q CA 1.751 57.499 55.803 -0.092 0.000 0.856 923 Q CB -0.073 28.611 28.738 -0.090 0.000 0.902 923 Q HN 0.629 nan 8.270 nan 0.000 0.425 924 N N 0.754 119.308 118.700 -0.244 0.000 2.279 924 N HA 0.007 4.754 4.740 0.012 0.000 0.226 924 N C -0.954 174.463 175.510 -0.154 0.000 1.126 924 N CA 0.352 53.243 53.050 -0.265 0.000 0.846 924 N CB 0.673 38.860 38.487 -0.500 0.000 1.050 924 N HN 0.215 nan 8.380 nan 0.000 0.502 925 D N 0.788 121.130 120.400 -0.096 0.000 2.701 925 D HA -0.192 4.455 4.640 0.012 0.000 0.235 925 D C -0.598 175.681 176.300 -0.035 0.000 1.155 925 D CA 0.716 54.685 54.000 -0.051 0.000 0.649 925 D CB -0.873 39.901 40.800 -0.043 0.000 1.050 925 D HN 0.183 nan 8.370 nan 0.000 0.425 926 L N 1.210 122.416 121.223 -0.029 0.000 2.317 926 L HA 0.400 4.748 4.340 0.012 0.000 0.281 926 L C 0.728 177.623 176.870 0.043 0.000 1.024 926 L CA -0.488 54.359 54.840 0.012 0.000 0.810 926 L CB 1.761 43.836 42.059 0.027 0.000 1.240 926 L HN 0.039 nan 8.230 nan 0.000 0.427 927 D N 0.411 120.845 120.400 0.056 0.000 2.666 927 D HA 0.288 4.935 4.640 0.012 0.000 0.252 927 D C 0.500 176.852 176.300 0.088 0.000 1.143 927 D CA -0.404 53.633 54.000 0.062 0.000 1.096 927 D CB 0.564 41.391 40.800 0.045 0.000 1.260 927 D HN 0.334 nan 8.370 nan 0.000 0.633 928 E N -1.151 119.098 120.200 0.080 0.000 2.204 928 E HA -0.115 4.242 4.350 0.012 0.000 0.194 928 E C 1.693 178.348 176.600 0.092 0.000 0.989 928 E CA 1.328 57.785 56.400 0.095 0.000 0.824 928 E CB -0.061 29.689 29.700 0.083 0.000 0.756 928 E HN 0.334 nan 8.360 nan 0.000 0.477 929 Q N -0.505 119.341 119.800 0.075 0.000 2.089 929 Q HA 0.009 4.357 4.340 0.012 0.000 0.195 929 Q C 2.224 178.273 176.000 0.082 0.000 0.963 929 Q CA 1.527 57.372 55.803 0.069 0.000 0.834 929 Q CB -0.195 28.573 28.738 0.051 0.000 0.906 929 Q HN 0.330 nan 8.270 nan 0.000 0.452 930 S N -0.524 115.225 115.700 0.082 0.000 2.423 930 S HA -0.070 4.407 4.470 0.012 0.000 0.231 930 S C 1.983 176.660 174.600 0.128 0.000 1.014 930 S CA 0.794 59.047 58.200 0.088 0.000 0.965 930 S CB -0.549 62.688 63.200 0.062 0.000 0.785 930 S HN 0.148 nan 8.310 nan 0.000 0.495 931 V N 1.316 121.328 119.914 0.164 0.000 2.626 931 V HA -0.005 4.122 4.120 0.012 0.000 0.252 931 V C 2.025 178.280 176.094 0.268 0.000 1.067 931 V CA 1.485 63.948 62.300 0.271 0.000 1.081 931 V CB -0.412 31.592 31.823 0.302 0.000 0.686 931 V HN 0.569 nan 8.190 nan 0.000 0.468 932 I N -1.437 119.233 120.570 0.166 0.000 2.628 932 I HA -0.102 4.076 4.170 0.012 0.000 0.255 932 I C 2.373 178.574 176.117 0.139 0.000 1.119 932 I CA 1.196 62.572 61.300 0.126 0.000 1.448 932 I CB -0.379 37.667 38.000 0.077 0.000 1.133 932 I HN 0.251 nan 8.210 nan 0.000 0.438 933 T N 0.480 115.112 114.554 0.129 0.000 2.674 933 T HA -0.157 4.200 4.350 0.012 0.000 0.265 933 T C 1.246 176.076 174.700 0.216 0.000 1.039 933 T CA 1.556 63.735 62.100 0.133 0.000 1.150 933 T CB -0.221 68.706 68.868 0.099 0.000 0.864 933 T HN 0.243 nan 8.240 nan 0.000 0.427 934 D N 0.511 121.026 120.400 0.193 0.000 2.349 934 D HA 0.150 4.797 4.640 0.012 0.000 0.215 934 D C 2.163 178.528 176.300 0.110 0.000 1.016 934 D CA 0.285 54.385 54.000 0.167 0.000 0.870 934 D CB -0.730 40.097 40.800 0.045 0.000 0.917 934 D HN 0.434 nan 8.370 nan 0.000 0.524 935 G N 1.178 110.114 108.800 0.227 0.000 2.581 935 G HA2 -0.345 3.622 3.960 0.012 0.000 0.223 935 G HA3 -0.345 3.622 3.960 0.012 0.000 0.223 935 G C 1.451 176.490 174.900 0.232 0.000 1.094 935 G CA 1.149 46.434 45.100 0.308 0.000 0.736 935 G HN 0.518 nan 8.290 nan 0.000 0.588 936 Y N 1.293 121.648 120.300 0.092 0.000 2.352 936 Y HA 0.120 4.678 4.550 0.013 0.000 0.292 936 Y C 2.055 177.975 175.900 0.035 0.000 1.136 936 Y CA 1.204 59.338 58.100 0.056 0.000 1.227 936 Y CB 0.042 38.521 38.460 0.032 0.000 0.991 936 Y HN 0.304 nan 8.280 nan 0.000 0.545 937 K N 0.715 120.638 120.400 -0.795 0.000 2.593 937 K HA 0.411 4.738 4.320 0.012 0.000 0.208 937 K C -0.951 175.447 176.600 -0.338 0.000 1.051 937 K CA -0.161 55.748 56.287 -0.630 0.000 1.111 937 K CB 0.029 32.003 32.500 -0.876 0.000 0.849 937 K HN 0.274 nan 8.250 nan 0.000 0.479 938 L N 1.510 122.570 121.223 -0.271 0.000 2.341 938 L HA 0.353 4.701 4.340 0.012 0.000 0.278 938 L C -0.844 175.828 176.870 -0.329 0.000 1.005 938 L CA -0.959 53.677 54.840 -0.340 0.000 0.818 938 L CB 1.807 43.511 42.059 -0.592 0.000 1.259 938 L HN 0.151 nan 8.230 nan 0.000 0.418 939 D N 4.066 124.335 120.400 -0.219 0.000 2.479 939 D HA 0.241 4.889 4.640 0.012 0.000 0.218 939 D C -0.293 175.828 176.300 -0.297 0.000 1.131 939 D CA -0.045 53.871 54.000 -0.140 0.000 0.916 939 D CB 0.554 41.328 40.800 -0.044 0.000 1.022 939 D HN 0.101 nan 8.370 nan 0.000 0.515 940 F N 2.002 121.805 119.950 -0.245 0.000 2.471 940 F HA 0.165 4.699 4.527 0.011 0.000 0.353 940 F C -1.363 174.215 175.800 -0.370 0.000 1.113 940 F CA -1.705 55.992 58.000 -0.505 0.000 1.262 940 F CB -0.024 38.803 39.000 -0.288 0.000 1.146 940 F HN 0.075 nan 8.300 nan 0.000 0.578 941 P HA -0.057 nan 4.420 nan 0.000 0.264 941 P C 0.526 177.842 177.300 0.028 0.000 1.183 941 P CA 0.236 63.297 63.100 -0.066 0.000 0.763 941 P CB 0.527 32.218 31.700 -0.014 0.000 0.807 942 E N 1.554 121.775 120.200 0.036 0.000 2.187 942 E HA -0.201 4.157 4.350 0.012 0.000 0.199 942 E C 1.775 178.415 176.600 0.067 0.000 1.004 942 E CA 2.001 58.428 56.400 0.045 0.000 0.813 942 E CB -0.484 29.239 29.700 0.039 0.000 0.736 942 E HN 0.598 nan 8.360 nan 0.000 0.468 943 S N 0.128 115.881 115.700 0.088 0.000 2.387 943 S HA -0.091 4.387 4.470 0.012 0.000 0.226 943 S C 2.196 176.896 174.600 0.167 0.000 1.026 943 S CA 1.160 59.427 58.200 0.112 0.000 0.972 943 S CB -0.422 62.842 63.200 0.108 0.000 0.814 943 S HN 0.186 nan 8.310 nan 0.000 0.477 944 V N 1.592 121.621 119.914 0.191 0.000 2.323 944 V HA -0.014 4.113 4.120 0.012 0.000 0.244 944 V C 2.346 178.607 176.094 0.279 0.000 1.041 944 V CA 1.770 64.252 62.300 0.303 0.000 1.025 944 V CB -0.599 31.432 31.823 0.346 0.000 0.656 944 V HN 0.475 nan 8.190 nan 0.000 0.451 945 V N 0.273 120.259 119.914 0.120 0.000 2.332 945 V HA -0.225 3.902 4.120 0.012 0.000 0.248 945 V C 2.635 178.736 176.094 0.012 0.000 1.055 945 V CA 3.200 65.517 62.300 0.029 0.000 1.038 945 V CB -0.737 31.082 31.823 -0.007 0.000 0.651 945 V HN 0.758 nan 8.190 nan 0.000 0.450 946 S N -0.504 115.220 115.700 0.038 0.000 2.359 946 S HA -0.273 4.204 4.470 0.012 0.000 0.224 946 S C 1.899 176.504 174.600 0.008 0.000 1.035 946 S CA 2.184 60.390 58.200 0.011 0.000 1.018 946 S CB -0.806 62.418 63.200 0.040 0.000 0.876 946 S HN 0.846 nan 8.310 nan 0.000 0.448 947 F N 0.527 120.436 119.950 -0.068 0.000 2.171 947 F HA -0.006 4.528 4.527 0.011 0.000 0.300 947 F C 1.430 177.053 175.800 -0.294 0.000 1.090 947 F CA 1.439 59.358 58.000 -0.134 0.000 1.293 947 F CB -0.287 38.626 39.000 -0.146 0.000 1.013 947 F HN 0.264 nan 8.300 nan 0.000 0.486 948 F N 0.526 120.107 119.950 -0.615 0.000 2.811 948 F HA 0.130 4.663 4.527 0.011 0.000 0.301 948 F C 2.004 177.237 175.800 -0.944 0.000 1.151 948 F CA 0.419 57.774 58.000 -1.074 0.000 1.412 948 F CB -0.235 38.318 39.000 -0.745 0.000 1.113 948 F HN -0.103 nan 8.300 nan 0.000 0.579 949 K N -0.192 119.941 120.400 -0.445 0.000 2.379 949 K HA 0.216 4.543 4.320 0.012 0.000 0.194 949 K C 1.193 177.594 176.600 -0.333 0.000 1.031 949 K CA 0.777 56.856 56.287 -0.346 0.000 1.037 949 K CB 0.229 32.600 32.500 -0.215 0.000 0.824 949 K HN 0.231 nan 8.250 nan 0.000 0.516 950 G N 1.373 109.968 108.800 -0.342 0.000 2.131 950 G HA2 -0.195 3.772 3.960 0.012 0.000 0.201 950 G HA3 -0.195 3.772 3.960 0.012 0.000 0.201 950 G C 0.134 174.999 174.900 -0.059 0.000 1.000 950 G CA 0.212 45.222 45.100 -0.151 0.000 0.680 950 G HN 0.465 nan 8.290 nan 0.000 0.514 951 E N -0.653 119.510 120.200 -0.062 0.000 2.447 951 E HA 0.255 4.612 4.350 0.012 0.000 0.195 951 E C 2.105 178.730 176.600 0.041 0.000 1.028 951 E CA 0.425 56.813 56.400 -0.021 0.000 0.876 951 E CB 0.231 29.898 29.700 -0.054 0.000 0.885 951 E HN 0.697 nan 8.360 nan 0.000 0.500 952 I N -0.100 120.526 120.570 0.093 0.000 3.968 952 I HA 0.233 4.411 4.170 0.012 0.000 0.328 952 I C 1.063 177.279 176.117 0.164 0.000 1.290 952 I CA 0.070 61.451 61.300 0.135 0.000 1.163 952 I CB 0.369 38.491 38.000 0.204 0.000 1.024 952 I HN 0.049 nan 8.210 nan 0.000 0.413 953 G N 1.368 110.246 108.800 0.130 0.000 2.466 953 G HA2 -0.107 3.860 3.960 0.012 0.000 0.316 953 G HA3 -0.107 3.860 3.960 0.012 0.000 0.316 953 G C -1.026 173.686 174.900 -0.313 0.000 1.270 953 G CA -0.844 44.304 45.100 0.080 0.000 0.982 953 G HN 0.046 nan 8.290 nan 0.000 0.506 954 Q N 1.226 120.439 119.800 -0.977 0.000 2.303 954 Q HA 0.463 4.811 4.340 0.012 0.000 0.257 954 Q C -2.128 173.435 176.000 -0.728 0.000 0.941 954 Q CA -1.579 53.600 55.803 -1.040 0.000 0.931 954 Q CB 1.784 29.623 28.738 -1.498 0.000 1.215 954 Q HN 0.510 nan 8.270 nan 0.000 0.437 955 P HA 0.057 nan 4.420 nan 0.000 0.275 955 P C 0.915 178.013 177.300 -0.337 0.000 1.228 955 P CA -0.280 62.606 63.100 -0.356 0.000 0.786 955 P CB 1.046 32.548 31.700 -0.330 0.000 0.927 956 V N 2.951 122.774 119.914 -0.152 0.000 2.277 956 V HA -0.304 3.824 4.120 0.012 0.000 0.253 956 V C 1.796 177.782 176.094 -0.180 0.000 1.067 956 V CA 2.517 64.744 62.300 -0.121 0.000 1.047 956 V CB -1.484 30.283 31.823 -0.094 0.000 0.649 956 V HN 0.625 nan 8.190 nan 0.000 0.447 957 N N -0.441 118.143 118.700 -0.193 0.000 2.398 957 N HA 0.355 5.103 4.740 0.012 0.000 0.188 957 N C 0.830 176.221 175.510 -0.197 0.000 1.122 957 N CA 0.423 53.373 53.050 -0.167 0.000 0.866 957 N CB 0.490 38.907 38.487 -0.116 0.000 0.970 957 N HN 0.620 nan 8.380 nan 0.000 0.462 958 G N 0.983 109.579 108.800 -0.339 0.000 2.725 958 G HA2 -0.261 3.706 3.960 0.012 0.000 0.220 958 G HA3 -0.261 3.706 3.960 0.012 0.000 0.220 958 G C -0.886 173.692 174.900 -0.537 0.000 1.357 958 G CA -0.828 44.004 45.100 -0.446 0.000 0.866 958 G HN 0.148 nan 8.290 nan 0.000 0.548 959 F N 1.024 120.888 119.950 -0.145 0.000 2.421 959 F HA 0.437 4.972 4.527 0.012 0.000 0.337 959 F C 0.958 176.765 175.800 0.012 0.000 1.105 959 F CA -0.733 57.216 58.000 -0.085 0.000 1.049 959 F CB 1.547 40.480 39.000 -0.112 0.000 1.139 959 F HN 0.534 nan 8.300 nan 0.000 0.479 960 N N 3.296 122.158 118.700 0.269 0.000 2.440 960 N HA -0.026 4.721 4.740 0.012 0.000 0.265 960 N C 0.689 176.275 175.510 0.127 0.000 1.239 960 N CA 0.208 53.358 53.050 0.166 0.000 0.909 960 N CB 0.806 39.389 38.487 0.161 0.000 1.066 960 N HN 0.718 nan 8.380 nan 0.000 0.474 961 K N 2.632 123.074 120.400 0.070 0.000 2.057 961 K HA -0.131 4.196 4.320 0.012 0.000 0.207 961 K C 0.789 177.377 176.600 -0.020 0.000 1.049 961 K CA 1.290 57.593 56.287 0.026 0.000 0.931 961 K CB 0.164 32.674 32.500 0.016 0.000 0.714 961 K HN 0.520 nan 8.250 nan 0.000 0.440 962 D N 0.713 121.104 120.400 -0.015 0.000 2.149 962 D HA -0.092 4.556 4.640 0.012 0.000 0.201 962 D C 1.785 178.030 176.300 -0.091 0.000 0.972 962 D CA 0.572 54.549 54.000 -0.038 0.000 0.835 962 D CB -0.021 40.773 40.800 -0.011 0.000 0.966 962 D HN -0.006 nan 8.370 nan 0.000 0.476 963 L N 0.918 122.079 121.223 -0.104 0.000 2.056 963 L HA -0.124 4.223 4.340 0.012 0.000 0.207 963 L C 2.255 178.795 176.870 -0.550 0.000 1.078 963 L CA 1.681 56.371 54.840 -0.251 0.000 0.749 963 L CB -0.591 41.386 42.059 -0.138 0.000 0.901 963 L HN -0.033 nan 8.230 nan 0.000 0.433 964 Q N -0.589 118.960 119.800 -0.418 0.000 2.061 964 Q HA -0.267 4.080 4.340 0.012 0.000 0.204 964 Q C 2.133 177.906 176.000 -0.380 0.000 0.984 964 Q CA 2.180 57.707 55.803 -0.459 0.000 0.846 964 Q CB -0.269 28.386 28.738 -0.139 0.000 0.902 964 Q HN 0.658 nan 8.270 nan 0.000 0.421 965 A N 0.025 122.706 122.820 -0.232 0.000 1.865 965 A HA -0.175 4.153 4.320 0.012 0.000 0.217 965 A C 2.236 179.720 177.584 -0.167 0.000 1.191 965 A CA 1.734 53.675 52.037 -0.160 0.000 0.623 965 A CB -1.056 17.888 19.000 -0.094 0.000 0.826 965 A HN 0.340 nan 8.150 nan 0.000 0.444 966 V N -0.122 119.683 119.914 -0.181 0.000 2.594 966 V HA -0.218 3.909 4.120 0.012 0.000 0.253 966 V C 2.253 178.258 176.094 -0.148 0.000 1.069 966 V CA 1.967 64.209 62.300 -0.096 0.000 1.082 966 V CB -0.469 31.327 31.823 -0.045 0.000 0.680 966 V HN 0.561 nan 8.190 nan 0.000 0.469 967 I N -1.288 119.013 120.570 -0.449 0.000 2.703 967 I HA -0.073 4.104 4.170 0.012 0.000 0.259 967 I C 1.942 177.915 176.117 -0.240 0.000 1.151 967 I CA 0.920 61.882 61.300 -0.563 0.000 1.470 967 I CB -0.017 37.372 38.000 -1.018 0.000 1.112 967 I HN 0.199 nan 8.210 nan 0.000 0.437 968 L N 0.858 121.938 121.223 -0.238 0.000 2.418 968 L HA 0.000 4.348 4.340 0.012 0.000 0.218 968 L C 0.537 177.357 176.870 -0.083 0.000 1.125 968 L CA 0.224 54.971 54.840 -0.156 0.000 0.835 968 L CB -0.241 41.708 42.059 -0.182 0.000 0.953 968 L HN 0.221 nan 8.230 nan 0.000 0.454 969 K N 0.744 121.113 120.400 -0.052 0.000 3.213 969 K HA -0.262 4.065 4.320 0.012 0.000 0.266 969 K C 1.001 177.586 176.600 -0.025 0.000 0.911 969 K CA 0.755 57.036 56.287 -0.011 0.000 0.684 969 K CB -2.365 30.146 32.500 0.018 0.000 1.402 969 K HN 0.629 nan 8.250 nan 0.000 0.465 970 G N -0.515 108.258 108.800 -0.046 0.000 2.175 970 G HA2 -0.323 3.644 3.960 0.012 0.000 0.244 970 G HA3 -0.323 3.644 3.960 0.012 0.000 0.244 970 G C 0.047 174.914 174.900 -0.054 0.000 0.982 970 G CA 0.390 45.463 45.100 -0.044 0.000 0.641 970 G HN 0.468 nan 8.290 nan 0.000 0.527 971 Q N 0.758 120.517 119.800 -0.068 0.000 2.352 971 Q HA 0.386 4.733 4.340 0.012 0.000 0.260 971 Q C 0.284 176.225 176.000 -0.098 0.000 0.976 971 Q CA -0.044 55.712 55.803 -0.079 0.000 0.881 971 Q CB 0.876 29.562 28.738 -0.087 0.000 1.235 971 Q HN 0.602 nan 8.270 nan 0.000 0.419 972 E N 0.439 120.583 120.200 -0.094 0.000 2.398 972 E HA 0.263 4.621 4.350 0.012 0.000 0.263 972 E C -0.791 175.721 176.600 -0.146 0.000 1.046 972 E CA -0.332 56.006 56.400 -0.104 0.000 0.908 972 E CB 0.748 30.398 29.700 -0.083 0.000 0.963 972 E HN 0.574 nan 8.360 nan 0.000 0.431 973 A N 2.837 125.563 122.820 -0.156 0.000 2.294 973 A HA 0.478 4.806 4.320 0.012 0.000 0.330 973 A C -0.292 177.195 177.584 -0.161 0.000 1.133 973 A CA -0.720 51.195 52.037 -0.203 0.000 0.836 973 A CB 0.547 19.392 19.000 -0.259 0.000 1.190 973 A HN 0.550 nan 8.150 nan 0.000 0.492 974 L N 0.609 121.720 121.223 -0.186 0.000 2.461 974 L HA 0.201 4.548 4.340 0.012 0.000 0.272 974 L C 1.393 178.300 176.870 0.062 0.000 1.197 974 L CA 0.362 55.129 54.840 -0.122 0.000 0.836 974 L CB 0.584 42.559 42.059 -0.140 0.000 1.105 974 L HN 0.947 nan 8.230 nan 0.000 0.477 975 T N -1.876 112.813 114.554 0.225 0.000 3.174 975 T HA 0.617 4.974 4.350 0.012 0.000 0.269 975 T C 0.055 174.884 174.700 0.215 0.000 1.017 975 T CA 0.087 62.294 62.100 0.177 0.000 0.899 975 T CB 0.341 69.295 68.868 0.144 0.000 1.077 975 T HN 0.718 nan 8.240 nan 0.000 0.552 976 A N 1.805 124.818 122.820 0.321 0.000 2.540 976 A HA 0.685 5.012 4.320 0.012 0.000 0.291 976 A C -0.776 177.080 177.584 0.452 0.000 1.083 976 A CA -1.475 50.754 52.037 0.320 0.000 0.650 976 A CB 0.684 19.747 19.000 0.105 0.000 1.292 976 A HN 0.609 nan 8.150 nan 0.000 0.435 977 R N 0.343 121.100 120.500 0.428 0.000 2.640 977 R HA 0.319 4.666 4.340 0.012 0.000 0.270 977 R C -2.064 174.435 176.300 0.332 0.000 1.024 977 R CA -0.173 56.178 56.100 0.418 0.000 1.085 977 R CB -0.224 30.137 30.300 0.101 0.000 0.963 977 R HN 0.297 nan 8.270 nan 0.000 0.426 978 P HA -0.241 nan 4.420 nan 0.000 0.218 978 P C 1.286 178.723 177.300 0.227 0.000 1.152 978 P CA 2.206 65.449 63.100 0.239 0.000 0.857 978 P CB -0.126 31.640 31.700 0.109 0.000 0.787 979 G N 0.912 109.793 108.800 0.136 0.000 2.529 979 G HA2 -0.328 3.639 3.960 0.012 0.000 0.219 979 G HA3 -0.328 3.639 3.960 0.012 0.000 0.219 979 G C 1.397 176.328 174.900 0.051 0.000 1.177 979 G CA 1.439 46.587 45.100 0.079 0.000 0.773 979 G HN 0.439 nan 8.290 nan 0.000 0.573 980 E N -0.403 119.787 120.200 -0.015 0.000 2.463 980 E HA -0.094 4.263 4.350 0.012 0.000 0.201 980 E C 1.721 178.175 176.600 -0.244 0.000 1.045 980 E CA 0.839 57.148 56.400 -0.153 0.000 0.872 980 E CB -0.460 29.101 29.700 -0.231 0.000 0.797 980 E HN 0.654 nan 8.360 nan 0.000 0.538 981 Y N 0.314 120.614 120.300 -0.001 0.000 2.448 981 Y HA 0.233 4.791 4.550 0.013 0.000 0.289 981 Y C 0.643 176.532 175.900 -0.019 0.000 1.114 981 Y CA -0.050 58.044 58.100 -0.011 0.000 1.235 981 Y CB 0.376 38.827 38.460 -0.015 0.000 1.045 981 Y HN -0.022 nan 8.280 nan 0.000 0.554 982 L N 0.567 121.851 121.223 0.103 0.000 2.343 982 L HA 0.238 4.586 4.340 0.012 0.000 0.275 982 L C 0.181 177.060 176.870 0.016 0.000 1.056 982 L CA -0.845 54.024 54.840 0.049 0.000 0.804 982 L CB 0.809 42.886 42.059 0.029 0.000 1.203 982 L HN -0.012 nan 8.230 nan 0.000 0.440 983 E N 2.154 122.355 120.200 0.002 0.000 2.392 983 E HA 0.162 4.519 4.350 0.012 0.000 0.264 983 E C -2.202 174.380 176.600 -0.029 0.000 1.024 983 E CA -1.561 54.830 56.400 -0.015 0.000 0.903 983 E CB 0.282 29.970 29.700 -0.020 0.000 0.963 983 E HN 0.282 nan 8.360 nan 0.000 0.432 984 P HA -0.045 nan 4.420 nan 0.000 0.266 984 P C -0.333 176.888 177.300 -0.131 0.000 1.195 984 P CA 0.056 63.121 63.100 -0.058 0.000 0.768 984 P CB 0.411 32.086 31.700 -0.041 0.000 0.838 985 V N 3.630 123.393 119.914 -0.252 0.000 2.572 985 V HA -0.004 4.123 4.120 0.012 0.000 0.291 985 V C 0.773 176.546 176.094 -0.535 0.000 1.039 985 V CA 0.219 62.266 62.300 -0.422 0.000 1.055 985 V CB 0.507 31.961 31.823 -0.615 0.000 0.969 985 V HN 0.552 nan 8.190 nan 0.000 0.482 986 D N 4.436 124.656 120.400 -0.299 0.000 2.374 986 D HA 0.116 4.763 4.640 0.012 0.000 0.240 986 D C 0.684 176.895 176.300 -0.148 0.000 1.229 986 D CA 0.118 54.014 54.000 -0.173 0.000 0.895 986 D CB 0.375 41.137 40.800 -0.064 0.000 1.046 986 D HN 0.450 nan 8.370 nan 0.000 0.498 987 F N 1.585 121.559 119.950 0.040 0.000 2.325 987 F HA -0.051 4.482 4.527 0.011 0.000 0.299 987 F C 2.323 178.139 175.800 0.026 0.000 1.090 987 F CA 0.225 58.249 58.000 0.041 0.000 1.392 987 F CB 0.348 39.370 39.000 0.037 0.000 1.053 987 F HN 0.334 nan 8.300 nan 0.000 0.521 988 E N 0.604 120.912 120.200 0.180 0.000 2.077 988 E HA -0.179 4.178 4.350 0.012 0.000 0.193 988 E C 2.173 178.816 176.600 0.071 0.000 0.989 988 E CA 0.854 57.316 56.400 0.103 0.000 0.800 988 E CB -0.245 29.497 29.700 0.070 0.000 0.746 988 E HN 0.289 nan 8.360 nan 0.000 0.452 989 K N 0.752 121.185 120.400 0.055 0.000 2.103 989 K HA -0.104 4.223 4.320 0.012 0.000 0.207 989 K C 2.274 178.898 176.600 0.040 0.000 1.048 989 K CA 0.664 56.972 56.287 0.035 0.000 0.930 989 K CB -0.454 32.059 32.500 0.021 0.000 0.716 989 K HN 0.029 nan 8.250 nan 0.000 0.444 990 V N 1.262 121.222 119.914 0.075 0.000 2.295 990 V HA -0.274 3.853 4.120 0.012 0.000 0.246 990 V C 2.606 178.711 176.094 0.018 0.000 1.049 990 V CA 2.162 64.508 62.300 0.077 0.000 1.024 990 V CB -0.550 31.405 31.823 0.220 0.000 0.648 990 V HN 0.352 nan 8.190 nan 0.000 0.447 991 R N 0.668 121.204 120.500 0.060 0.000 2.083 991 R HA -0.218 4.130 4.340 0.012 0.000 0.237 991 R C 2.161 178.465 176.300 0.006 0.000 1.137 991 R CA 2.269 58.386 56.100 0.029 0.000 0.951 991 R CB -0.549 29.778 30.300 0.044 0.000 0.851 991 R HN 0.598 nan 8.270 nan 0.000 0.434 992 E N 0.154 120.361 120.200 0.012 0.000 2.065 992 E HA -0.260 4.098 4.350 0.012 0.000 0.201 992 E C 2.005 178.597 176.600 -0.014 0.000 1.016 992 E CA 1.731 58.133 56.400 0.003 0.000 0.818 992 E CB -0.295 29.410 29.700 0.010 0.000 0.749 992 E HN 0.331 nan 8.360 nan 0.000 0.453 993 L N 0.966 122.169 121.223 -0.033 0.000 2.017 993 L HA -0.175 4.172 4.340 0.012 0.000 0.208 993 L C 2.138 178.960 176.870 -0.081 0.000 1.073 993 L CA 1.514 56.317 54.840 -0.061 0.000 0.745 993 L CB -0.256 41.745 42.059 -0.097 0.000 0.894 993 L HN 0.109 nan 8.230 nan 0.000 0.432 994 L N -0.749 120.411 121.223 -0.105 0.000 2.027 994 L HA -0.187 4.161 4.340 0.012 0.000 0.206 994 L C 2.577 179.440 176.870 -0.011 0.000 1.074 994 L CA 1.558 56.356 54.840 -0.069 0.000 0.745 994 L CB -0.711 41.318 42.059 -0.051 0.000 0.898 994 L HN 0.355 nan 8.230 nan 0.000 0.433 995 E N -0.128 120.069 120.200 -0.005 0.000 2.110 995 E HA -0.277 4.081 4.350 0.012 0.000 0.193 995 E C 1.976 178.577 176.600 0.002 0.000 0.988 995 E CA 1.327 57.731 56.400 0.006 0.000 0.804 995 E CB 0.019 29.724 29.700 0.007 0.000 0.745 995 E HN 0.377 nan 8.360 nan 0.000 0.458 996 E N 1.648 121.846 120.200 -0.004 0.000 2.017 996 E HA -0.203 4.154 4.350 0.012 0.000 0.193 996 E C 1.769 178.367 176.600 -0.003 0.000 0.997 996 E CA 1.528 57.925 56.400 -0.003 0.000 0.804 996 E CB -0.085 29.612 29.700 -0.005 0.000 0.757 996 E HN 0.205 nan 8.360 nan 0.000 0.448 997 E N -0.171 120.024 120.200 -0.008 0.000 2.085 997 E HA -0.184 4.173 4.350 0.012 0.000 0.194 997 E C 1.021 177.621 176.600 0.001 0.000 0.994 997 E CA 1.044 57.441 56.400 -0.004 0.000 0.801 997 E CB 0.021 29.717 29.700 -0.007 0.000 0.743 997 E HN 0.418 nan 8.360 nan 0.000 0.453 998 Q N -0.734 119.071 119.800 0.007 0.000 2.547 998 Q HA 0.070 4.418 4.340 0.012 0.000 0.181 998 Q C 1.581 177.586 176.000 0.008 0.000 1.005 998 Q CA -0.698 55.111 55.803 0.011 0.000 1.005 998 Q CB 0.395 29.151 28.738 0.032 0.000 1.574 998 Q HN 0.052 nan 8.270 nan 0.000 0.499 999 Q N -0.512 119.294 119.800 0.010 0.000 1.813 999 Q HA -0.046 4.301 4.340 0.012 0.000 0.261 999 Q C 1.015 177.022 176.000 0.011 0.000 0.975 999 Q CA 1.846 57.654 55.803 0.008 0.000 0.881 999 Q CB -0.537 28.206 28.738 0.008 0.000 0.924 999 Q HN 0.836 nan 8.270 nan 0.000 0.425 1000 G N 0.137 108.947 108.800 0.016 0.000 3.611 1000 G HA2 0.078 4.045 3.960 0.012 0.000 0.207 1000 G HA3 0.078 4.045 3.960 0.012 0.000 0.207 1000 G C -2.006 172.906 174.900 0.020 0.000 1.548 1000 G CA 0.035 45.144 45.100 0.015 0.000 0.855 1000 G HN 0.375 nan 8.290 nan 0.000 0.804 1001 P HA 0.440 nan 4.420 nan 0.000 0.259 1001 P C -0.650 176.674 177.300 0.040 0.000 1.635 1001 P CA 0.375 63.490 63.100 0.026 0.000 1.199 1001 P CB 1.078 32.793 31.700 0.026 0.000 1.850 1002 V N 3.467 123.400 119.914 0.033 0.000 2.581 1002 V HA 0.476 4.603 4.120 0.012 0.000 0.303 1002 V C 0.866 176.967 176.094 0.013 0.000 1.041 1002 V CA -0.158 62.167 62.300 0.042 0.000 0.907 1002 V CB 2.214 34.066 31.823 0.048 0.000 0.994 1002 V HN 0.566 nan 8.190 nan 0.000 0.442 1003 T N 0.492 115.047 114.554 0.002 0.000 2.905 1003 T HA 0.447 4.805 4.350 0.012 0.000 0.283 1003 T C 0.650 175.297 174.700 -0.087 0.000 1.031 1003 T CA -0.633 61.437 62.100 -0.051 0.000 1.002 1003 T CB 1.777 70.599 68.868 -0.076 0.000 1.200 1003 T HN 0.483 nan 8.240 nan 0.000 0.560 1004 E N 0.374 120.490 120.200 -0.141 0.000 2.106 1004 E HA -0.123 4.235 4.350 0.012 0.000 0.192 1004 E C 2.134 178.595 176.600 -0.231 0.000 0.984 1004 E CA 1.259 57.551 56.400 -0.180 0.000 0.806 1004 E CB -0.305 29.274 29.700 -0.201 0.000 0.750 1004 E HN 0.728 nan 8.360 nan 0.000 0.458 1005 Q N 0.665 120.231 119.800 -0.391 0.000 2.124 1005 Q HA -0.150 4.197 4.340 0.012 0.000 0.202 1005 Q C 1.771 177.636 176.000 -0.225 0.000 0.977 1005 Q CA 1.194 56.587 55.803 -0.682 0.000 0.850 1005 Q CB -0.004 27.987 28.738 -1.244 0.000 0.901 1005 Q HN 0.297 nan 8.270 nan 0.000 0.429 1006 D N 0.605 120.945 120.400 -0.099 0.000 2.097 1006 D HA -0.137 4.511 4.640 0.012 0.000 0.195 1006 D C 1.935 178.150 176.300 -0.142 0.000 0.989 1006 D CA 1.018 55.005 54.000 -0.022 0.000 0.827 1006 D CB -0.076 40.784 40.800 0.100 0.000 0.966 1006 D HN 0.260 nan 8.370 nan 0.000 0.456 1007 I N 1.114 121.655 120.570 -0.049 0.000 2.099 1007 I HA -0.281 3.896 4.170 0.012 0.000 0.239 1007 I C 2.309 178.510 176.117 0.140 0.000 1.066 1007 I CA 1.060 62.382 61.300 0.036 0.000 1.324 1007 I CB -0.301 37.712 38.000 0.022 0.000 1.037 1007 I HN -0.012 nan 8.210 nan 0.000 0.401 1008 I N -0.869 119.782 120.570 0.135 0.000 2.493 1008 I HA -0.133 4.044 4.170 0.012 0.000 0.254 1008 I C 2.383 178.688 176.117 0.314 0.000 1.160 1008 I CA 1.120 62.574 61.300 0.256 0.000 1.445 1008 I CB -1.050 37.140 38.000 0.317 0.000 1.086 1008 I HN -0.013 nan 8.210 nan 0.000 0.433 1009 S N 0.148 116.063 115.700 0.358 0.000 2.368 1009 S HA -0.181 4.296 4.470 0.012 0.000 0.224 1009 S C 1.982 176.630 174.600 0.080 0.000 1.029 1009 S CA 1.361 59.822 58.200 0.434 0.000 0.988 1009 S CB -0.648 62.825 63.200 0.454 0.000 0.838 1009 S HN 0.596 nan 8.310 nan 0.000 0.462 1010 Y N 2.607 122.681 120.300 -0.378 0.000 2.097 1010 Y HA -0.205 4.352 4.550 0.010 0.000 0.282 1010 Y C 2.268 178.210 175.900 0.070 0.000 1.152 1010 Y CA 1.333 59.303 58.100 -0.217 0.000 1.136 1010 Y CB -0.787 37.539 38.460 -0.223 0.000 0.975 1010 Y HN 0.003 nan 8.280 nan 0.000 0.498 1011 V N 0.633 120.618 119.914 0.119 0.000 2.252 1011 V HA -0.376 3.751 4.120 0.012 0.000 0.249 1011 V C 2.518 178.608 176.094 -0.006 0.000 1.056 1011 V CA 2.346 64.689 62.300 0.073 0.000 1.022 1011 V CB -0.911 31.049 31.823 0.229 0.000 0.641 1011 V HN 0.475 nan 8.190 nan 0.000 0.445 1012 L N -2.025 119.176 121.223 -0.036 0.000 2.046 1012 L HA -0.125 4.222 4.340 0.012 0.000 0.208 1012 L C 0.726 177.571 176.870 -0.042 0.000 1.077 1012 L CA 1.565 56.299 54.840 -0.176 0.000 0.747 1012 L CB -0.172 41.775 42.059 -0.188 0.000 0.896 1012 L HN 0.366 nan 8.230 nan 0.000 0.432 1013 Y N -1.833 118.573 120.300 0.177 0.000 2.584 1013 Y HA 0.237 4.791 4.550 0.007 0.000 0.358 1013 Y C -1.809 174.106 175.900 0.025 0.000 1.028 1013 Y CA -1.905 56.301 58.100 0.177 0.000 1.148 1013 Y CB 0.442 39.025 38.460 0.206 0.000 1.126 1013 Y HN -0.078 nan 8.280 nan 0.000 0.658 1014 P HA -0.262 nan 4.420 nan 0.000 0.212 1014 P C 1.799 179.111 177.300 0.021 0.000 1.178 1014 P CA 1.753 64.655 63.100 -0.330 0.000 0.915 1014 P CB 0.483 31.965 31.700 -0.364 0.000 0.788 1015 K N -0.199 120.224 120.400 0.038 0.000 2.057 1015 K HA -0.097 4.230 4.320 0.012 0.000 0.207 1015 K C 1.959 178.606 176.600 0.079 0.000 1.049 1015 K CA 1.285 57.611 56.287 0.064 0.000 0.931 1015 K CB -0.665 31.843 32.500 0.014 0.000 0.714 1015 K HN -0.090 nan 8.250 nan 0.000 0.440 1016 V N 0.778 120.744 119.914 0.087 0.000 2.261 1016 V HA -0.275 3.852 4.120 0.012 0.000 0.246 1016 V C 2.159 178.298 176.094 0.074 0.000 1.047 1016 V CA 2.038 64.380 62.300 0.069 0.000 1.015 1016 V CB -0.658 31.207 31.823 0.071 0.000 0.642 1016 V HN 0.368 nan 8.190 nan 0.000 0.446 1017 Y N 1.192 121.469 120.300 -0.038 0.000 2.114 1017 Y HA -0.265 4.292 4.550 0.011 0.000 0.282 1017 Y C 2.646 178.606 175.900 0.100 0.000 1.165 1017 Y CA 2.141 60.178 58.100 -0.105 0.000 1.148 1017 Y CB -0.254 38.175 38.460 -0.052 0.000 0.972 1017 Y HN 0.268 nan 8.280 nan 0.000 0.504 1018 E N 0.283 120.580 120.200 0.162 0.000 2.130 1018 E HA -0.285 4.072 4.350 0.012 0.000 0.196 1018 E C 2.086 178.675 176.600 -0.018 0.000 0.998 1018 E CA 1.862 58.310 56.400 0.080 0.000 0.806 1018 E CB -0.294 29.518 29.700 0.186 0.000 0.738 1018 E HN 0.720 nan 8.360 nan 0.000 0.459 1019 Q N -0.697 119.111 119.800 0.013 0.000 2.123 1019 Q HA -0.140 4.207 4.340 0.012 0.000 0.199 1019 Q C 2.030 178.036 176.000 0.010 0.000 0.966 1019 Q CA 0.961 56.769 55.803 0.010 0.000 0.845 1019 Q CB -0.266 28.488 28.738 0.026 0.000 0.907 1019 Q HN 0.318 nan 8.270 nan 0.000 0.439 1020 Y N 1.436 121.674 120.300 -0.104 0.000 2.151 1020 Y HA -0.298 4.257 4.550 0.009 0.000 0.284 1020 Y C 1.787 177.627 175.900 -0.100 0.000 1.166 1020 Y CA 1.386 59.447 58.100 -0.065 0.000 1.163 1020 Y CB -0.102 38.318 38.460 -0.066 0.000 0.974 1020 Y HN 0.035 nan 8.280 nan 0.000 0.511 1021 I N 0.380 120.772 120.570 -0.297 0.000 2.163 1021 I HA -0.284 3.893 4.170 0.012 0.000 0.240 1021 I C 2.246 178.220 176.117 -0.239 0.000 1.081 1021 I CA 1.381 62.481 61.300 -0.333 0.000 1.353 1021 I CB -1.569 36.267 38.000 -0.272 0.000 1.054 1021 I HN 0.329 nan 8.210 nan 0.000 0.407 1022 Q N 0.285 119.993 119.800 -0.153 0.000 2.248 1022 Q HA -0.163 4.184 4.340 0.012 0.000 0.208 1022 Q C 2.158 178.079 176.000 -0.132 0.000 0.984 1022 Q CA 1.747 57.481 55.803 -0.115 0.000 0.875 1022 Q CB -0.952 27.744 28.738 -0.069 0.000 0.910 1022 Q HN 0.519 nan 8.270 nan 0.000 0.433 1023 T N 0.442 114.915 114.554 -0.134 0.000 2.851 1023 T HA -0.042 4.316 4.350 0.012 0.000 0.262 1023 T C 1.844 176.462 174.700 -0.136 0.000 1.043 1023 T CA 0.768 62.822 62.100 -0.078 0.000 1.140 1023 T CB -0.006 68.877 68.868 0.025 0.000 0.872 1023 T HN 0.258 nan 8.240 nan 0.000 0.446 1024 R N 1.307 121.617 120.500 -0.317 0.000 2.083 1024 R HA -0.094 4.253 4.340 0.012 0.000 0.237 1024 R C 2.129 178.335 176.300 -0.157 0.000 1.137 1024 R CA 1.839 57.763 56.100 -0.293 0.000 0.951 1024 R CB -0.322 29.703 30.300 -0.457 0.000 0.851 1024 R HN 0.503 nan 8.270 nan 0.000 0.434 1025 N N -0.249 118.356 118.700 -0.159 0.000 2.120 1025 N HA -0.226 4.521 4.740 0.012 0.000 0.188 1025 N C 1.909 177.342 175.510 -0.129 0.000 1.024 1025 N CA 1.149 54.128 53.050 -0.118 0.000 0.852 1025 N CB -0.061 38.361 38.487 -0.110 0.000 1.003 1025 N HN 0.351 nan 8.380 nan 0.000 0.424 1026 Q N -0.460 119.221 119.800 -0.199 0.000 2.137 1026 Q HA -0.066 4.282 4.340 0.012 0.000 0.198 1026 Q C 0.570 176.365 176.000 -0.341 0.000 0.960 1026 Q CA 1.172 56.761 55.803 -0.355 0.000 0.847 1026 Q CB 0.311 28.695 28.738 -0.590 0.000 0.915 1026 Q HN 0.561 nan 8.270 nan 0.000 0.448 1027 Y N -1.724 118.571 120.300 -0.008 0.000 2.499 1027 Y HA 0.277 4.833 4.550 0.010 0.000 0.253 1027 Y C 0.909 176.785 175.900 -0.040 0.000 1.105 1027 Y CA -0.354 57.752 58.100 0.010 0.000 1.240 1027 Y CB 1.607 40.096 38.460 0.047 0.000 1.289 1027 Y HN 0.273 nan 8.280 nan 0.000 0.534 1028 G N 1.880 110.720 108.800 0.067 0.000 2.542 1028 G HA2 -0.352 3.615 3.960 0.012 0.000 0.235 1028 G HA3 -0.352 3.615 3.960 0.012 0.000 0.235 1028 G C -0.478 174.420 174.900 -0.004 0.000 1.286 1028 G CA -0.180 44.930 45.100 0.016 0.000 0.904 1028 G HN 0.409 nan 8.290 nan 0.000 0.577 1029 N N 0.810 119.508 118.700 -0.003 0.000 2.663 1029 N HA 0.381 5.128 4.740 0.012 0.000 0.250 1029 N C 1.906 177.393 175.510 -0.038 0.000 1.129 1029 N CA -0.392 52.658 53.050 -0.000 0.000 0.995 1029 N CB -0.133 38.364 38.487 0.017 0.000 1.324 1029 N HN 0.493 nan 8.380 nan 0.000 0.512 1030 L N 1.548 122.735 121.223 -0.060 0.000 2.187 1030 L HA -0.178 4.169 4.340 0.012 0.000 0.213 1030 L C 2.479 179.239 176.870 -0.183 0.000 1.100 1030 L CA 0.802 55.565 54.840 -0.129 0.000 0.765 1030 L CB -0.430 41.587 42.059 -0.070 0.000 0.904 1030 L HN 0.580 nan 8.230 nan 0.000 0.437 1031 S N -0.343 115.270 115.700 -0.146 0.000 2.547 1031 S HA -0.068 4.410 4.470 0.012 0.000 0.235 1031 S C 1.626 176.136 174.600 -0.150 0.000 0.980 1031 S CA 0.636 58.722 58.200 -0.191 0.000 0.941 1031 S CB -0.355 62.785 63.200 -0.099 0.000 0.763 1031 S HN 0.481 nan 8.310 nan 0.000 0.532 1032 L N 0.261 121.421 121.223 -0.105 0.000 2.567 1032 L HA 0.390 4.737 4.340 0.012 0.000 0.225 1032 L C 0.483 177.310 176.870 -0.073 0.000 1.119 1032 L CA -0.126 54.671 54.840 -0.072 0.000 0.871 1032 L CB -0.170 41.865 42.059 -0.040 0.000 1.036 1032 L HN 0.255 nan 8.230 nan 0.000 0.459 1033 L N 1.426 122.592 121.223 -0.095 0.000 2.426 1033 L HA 0.054 4.402 4.340 0.012 0.000 0.271 1033 L C 0.451 177.267 176.870 -0.090 0.000 1.169 1033 L CA -0.324 54.483 54.840 -0.056 0.000 0.836 1033 L CB 0.378 42.445 42.059 0.013 0.000 1.112 1033 L HN 0.226 nan 8.230 nan 0.000 0.465 1034 D N 1.089 121.453 120.400 -0.060 0.000 2.382 1034 D HA -0.024 4.623 4.640 0.012 0.000 0.240 1034 D C 0.575 176.788 176.300 -0.145 0.000 1.146 1034 D CA -0.375 53.567 54.000 -0.096 0.000 0.897 1034 D CB 1.248 41.997 40.800 -0.085 0.000 1.197 1034 D HN 0.519 nan 8.370 nan 0.000 0.432 1035 T N 1.908 116.320 114.554 -0.237 0.000 2.708 1035 T HA -0.069 4.288 4.350 0.012 0.000 0.266 1035 T C -0.961 173.590 174.700 -0.248 0.000 1.037 1035 T CA 1.312 63.224 62.100 -0.315 0.000 1.146 1035 T CB -0.936 67.769 68.868 -0.272 0.000 0.865 1035 T HN 0.465 nan 8.240 nan 0.000 0.435 1036 P HA -0.091 nan 4.420 nan 0.000 0.215 1036 P C 1.664 179.097 177.300 0.222 0.000 1.157 1036 P CA 1.350 64.463 63.100 0.022 0.000 0.874 1036 P CB -0.338 31.302 31.700 -0.100 0.000 0.790 1037 T N -0.980 113.631 114.554 0.094 0.000 2.746 1037 T HA -0.176 4.182 4.350 0.012 0.000 0.267 1037 T C 1.447 176.261 174.700 0.191 0.000 1.039 1037 T CA 1.062 63.251 62.100 0.147 0.000 1.142 1037 T CB -1.064 67.867 68.868 0.105 0.000 0.866 1037 T HN 0.032 nan 8.240 nan 0.000 0.444 1038 F N 0.676 120.585 119.950 -0.068 0.000 2.202 1038 F HA 0.009 4.543 4.527 0.012 0.000 0.301 1038 F C 1.498 177.178 175.800 -0.200 0.000 1.082 1038 F CA 1.081 59.010 58.000 -0.117 0.000 1.313 1038 F CB -0.378 38.347 39.000 -0.459 0.000 1.024 1038 F HN 0.202 nan 8.300 nan 0.000 0.495 1039 F N -2.715 117.076 119.950 -0.264 0.000 2.714 1039 F HA 0.089 4.622 4.527 0.010 0.000 0.294 1039 F C 1.137 176.489 175.800 -0.748 0.000 1.120 1039 F CA -0.012 57.497 58.000 -0.818 0.000 1.398 1039 F CB 0.103 38.623 39.000 -0.799 0.000 1.120 1039 F HN -0.129 nan 8.300 nan 0.000 0.589 1040 F N -1.050 118.954 119.950 0.090 0.000 2.834 1040 F HA 0.393 4.929 4.527 0.016 0.000 0.332 1040 F C 1.546 177.367 175.800 0.035 0.000 1.056 1040 F CA 0.375 58.417 58.000 0.070 0.000 1.178 1040 F CB 0.116 39.164 39.000 0.079 0.000 1.037 1040 F HN -0.016 nan 8.300 nan 0.000 0.580 1041 G N 1.874 110.784 108.800 0.184 0.000 2.536 1041 G HA2 -0.292 3.675 3.960 0.012 0.000 0.280 1041 G HA3 -0.292 3.675 3.960 0.012 0.000 0.280 1041 G C -0.125 174.867 174.900 0.152 0.000 1.152 1041 G CA 0.212 45.388 45.100 0.126 0.000 0.970 1041 G HN 0.093 nan 8.290 nan 0.000 0.549 1042 M N 0.704 120.379 119.600 0.125 0.000 2.531 1042 M HA 0.474 4.962 4.480 0.012 0.000 0.286 1042 M C 0.244 176.586 176.300 0.070 0.000 1.232 1042 M CA -0.795 54.568 55.300 0.105 0.000 0.877 1042 M CB 2.738 35.418 32.600 0.133 0.000 1.726 1042 M HN 0.906 nan 8.290 nan 0.000 0.463 1043 R N 0.632 121.158 120.500 0.045 0.000 2.700 1043 R HA 0.574 4.921 4.340 0.012 0.000 0.253 1043 R C -0.808 175.497 176.300 0.009 0.000 1.091 1043 R CA -0.882 55.229 56.100 0.018 0.000 1.104 1043 R CB 0.504 30.803 30.300 -0.001 0.000 1.202 1043 R HN 0.604 nan 8.270 nan 0.000 0.532 1044 N N -0.416 118.281 118.700 -0.006 0.000 2.468 1044 N HA 0.183 4.930 4.740 0.012 0.000 0.265 1044 N C 0.464 175.969 175.510 -0.008 0.000 1.199 1044 N CA 0.792 53.833 53.050 -0.015 0.000 0.928 1044 N CB 0.809 39.281 38.487 -0.025 0.000 1.059 1044 N HN 0.911 nan 8.380 nan 0.000 0.467 1045 G N 0.878 109.676 108.800 -0.003 0.000 2.199 1045 G HA2 -0.332 3.636 3.960 0.012 0.000 0.254 1045 G HA3 -0.332 3.636 3.960 0.012 0.000 0.254 1045 G C 0.067 174.977 174.900 0.016 0.000 0.982 1045 G CA -0.018 45.084 45.100 0.003 0.000 0.632 1045 G HN 0.662 nan 8.290 nan 0.000 0.529 1046 E N 0.845 121.059 120.200 0.024 0.000 2.366 1046 E HA 0.515 4.872 4.350 0.012 0.000 0.266 1046 E C -0.422 176.208 176.600 0.050 0.000 1.051 1046 E CA 0.150 56.570 56.400 0.032 0.000 0.884 1046 E CB 0.477 30.198 29.700 0.035 0.000 1.006 1046 E HN 0.128 nan 8.360 nan 0.000 0.417 1047 T N 3.163 117.743 114.554 0.044 0.000 2.792 1047 T HA 0.375 4.733 4.350 0.012 0.000 0.280 1047 T C -1.010 173.717 174.700 0.045 0.000 0.990 1047 T CA -0.559 61.571 62.100 0.050 0.000 0.960 1047 T CB 1.472 70.364 68.868 0.040 0.000 0.939 1047 T HN 0.276 nan 8.240 nan 0.000 0.439 1048 V N 2.521 122.466 119.914 0.051 0.000 2.815 1048 V HA 0.640 4.768 4.120 0.012 0.000 0.314 1048 V C -0.838 175.274 176.094 0.030 0.000 1.064 1048 V CA -0.860 61.464 62.300 0.041 0.000 0.952 1048 V CB 2.063 33.916 31.823 0.050 0.000 1.020 1048 V HN 0.962 nan 8.190 nan 0.000 0.439 1049 E N 4.569 124.781 120.200 0.021 0.000 2.331 1049 E HA 0.451 4.808 4.350 0.012 0.000 0.243 1049 E C -1.291 175.313 176.600 0.008 0.000 0.925 1049 E CA -0.420 55.988 56.400 0.014 0.000 0.760 1049 E CB 1.029 30.737 29.700 0.013 0.000 1.254 1049 E HN 0.646 nan 8.360 nan 0.000 0.419 1050 I N 3.859 124.432 120.570 0.004 0.000 2.301 1050 I HA 0.141 4.318 4.170 0.012 0.000 0.292 1050 I C 0.217 176.331 176.117 -0.005 0.000 1.046 1050 I CA -0.544 60.755 61.300 -0.002 0.000 1.282 1050 I CB 1.106 39.104 38.000 -0.003 0.000 1.409 1050 I HN 0.528 nan 8.210 nan 0.000 0.484 1051 E N 6.489 126.685 120.200 -0.007 0.000 2.220 1051 E HA 0.126 4.483 4.350 0.012 0.000 0.272 1051 E C 0.372 176.967 176.600 -0.010 0.000 1.099 1051 E CA 0.262 56.658 56.400 -0.007 0.000 0.907 1051 E CB 0.607 30.303 29.700 -0.007 0.000 1.022 1051 E HN 0.579 nan 8.360 nan 0.000 0.428 1052 I N 2.967 123.533 120.570 -0.007 0.000 2.628 1052 I HA 0.142 4.320 4.170 0.012 0.000 0.255 1052 I C 0.735 176.849 176.117 -0.005 0.000 1.119 1052 I CA 0.346 61.642 61.300 -0.007 0.000 1.448 1052 I CB 0.281 38.278 38.000 -0.005 0.000 1.133 1052 I HN 0.544 nan 8.210 nan 0.000 0.438 1053 D N -0.498 119.899 120.400 -0.005 0.000 2.692 1053 D HA 0.196 4.844 4.640 0.012 0.000 0.290 1053 D C -1.140 175.157 176.300 -0.005 0.000 1.281 1053 D CA -0.630 53.367 54.000 -0.005 0.000 0.804 1053 D CB 1.503 42.301 40.800 -0.004 0.000 1.331 1053 D HN -0.227 nan 8.370 nan 0.000 0.432 1054 K N 0.313 120.709 120.400 -0.006 0.000 2.395 1054 K HA 0.380 4.707 4.320 0.012 0.000 0.283 1054 K C 0.890 177.486 176.600 -0.006 0.000 1.068 1054 K CA 1.241 57.524 56.287 -0.006 0.000 1.039 1054 K CB 0.054 32.549 32.500 -0.008 0.000 0.924 1054 K HN 0.603 nan 8.250 nan 0.000 0.468 1055 G N 3.097 111.894 108.800 -0.005 0.000 2.217 1055 G HA2 -0.286 3.681 3.960 0.012 0.000 0.246 1055 G HA3 -0.286 3.681 3.960 0.012 0.000 0.246 1055 G C -0.312 174.586 174.900 -0.003 0.000 0.990 1055 G CA -0.172 44.925 45.100 -0.004 0.000 0.627 1055 G HN 0.527 nan 8.290 nan 0.000 0.522 1056 K N 1.108 121.506 120.400 -0.004 0.000 2.367 1056 K HA 0.576 4.903 4.320 0.012 0.000 0.263 1056 K C 0.172 176.770 176.600 -0.004 0.000 1.000 1056 K CA -0.658 55.626 56.287 -0.004 0.000 0.891 1056 K CB 1.289 33.786 32.500 -0.004 0.000 1.117 1056 K HN 0.610 nan 8.250 nan 0.000 0.443 1057 R N 2.446 122.945 120.500 -0.003 0.000 2.651 1057 R HA 0.459 4.806 4.340 0.012 0.000 0.278 1057 R C -1.171 175.128 176.300 -0.003 0.000 1.010 1057 R CA -0.991 55.108 56.100 -0.003 0.000 0.896 1057 R CB 0.941 31.240 30.300 -0.001 0.000 1.211 1057 R HN 0.324 nan 8.270 nan 0.000 0.456 1058 L N 3.387 124.607 121.223 -0.005 0.000 2.257 1058 L HA 0.428 4.775 4.340 0.012 0.000 0.290 1058 L C -0.230 176.639 176.870 -0.001 0.000 1.044 1058 L CA -1.046 53.789 54.840 -0.008 0.000 0.810 1058 L CB 1.230 43.279 42.059 -0.017 0.000 1.193 1058 L HN 0.467 nan 8.230 nan 0.000 0.425 1059 I N 5.357 125.929 120.570 0.004 0.000 2.297 1059 I HA 0.361 4.538 4.170 0.012 0.000 0.291 1059 I C 0.085 176.213 176.117 0.019 0.000 1.033 1059 I CA -0.164 61.144 61.300 0.014 0.000 1.253 1059 I CB 0.825 38.835 38.000 0.017 0.000 1.396 1059 I HN 0.491 nan 8.210 nan 0.000 0.476 1060 I N 6.123 126.710 120.570 0.028 0.000 2.404 1060 I HA 0.368 4.546 4.170 0.012 0.000 0.293 1060 I C 0.084 176.262 176.117 0.102 0.000 0.992 1060 I CA -0.655 60.673 61.300 0.047 0.000 1.149 1060 I CB 2.002 40.003 38.000 0.002 0.000 1.315 1060 I HN 0.475 nan 8.210 nan 0.000 0.446 1061 K N 7.097 127.585 120.400 0.147 0.000 2.358 1061 K HA 0.509 4.836 4.320 0.012 0.000 0.260 1061 K C -1.400 175.328 176.600 0.213 0.000 0.956 1061 K CA -0.618 55.755 56.287 0.144 0.000 0.834 1061 K CB 1.635 34.191 32.500 0.094 0.000 1.102 1061 K HN 0.592 nan 8.250 nan 0.000 0.431 1062 L N 5.109 126.432 121.223 0.167 0.000 2.281 1062 L HA 0.183 4.530 4.340 0.012 0.000 0.285 1062 L C 0.621 177.492 176.870 0.001 0.000 1.074 1062 L CA 0.239 55.108 54.840 0.048 0.000 0.817 1062 L CB 0.763 42.833 42.059 0.019 0.000 1.168 1062 L HN 0.877 nan 8.230 nan 0.000 0.434 1063 E N 2.235 122.420 120.200 -0.024 0.000 2.065 1063 E HA 0.122 4.479 4.350 0.012 0.000 0.191 1063 E C -0.356 176.211 176.600 -0.054 0.000 0.960 1063 E CA 0.651 57.041 56.400 -0.016 0.000 0.824 1063 E CB 0.393 30.101 29.700 0.013 0.000 0.793 1063 E HN 0.696 nan 8.360 nan 0.000 0.459 1064 T N -0.142 114.374 114.554 -0.063 0.000 2.786 1064 T HA 0.496 4.853 4.350 0.012 0.000 0.316 1064 T C -0.835 173.855 174.700 -0.017 0.000 1.503 1064 T CA -0.743 61.313 62.100 -0.073 0.000 1.019 1064 T CB 1.509 70.288 68.868 -0.149 0.000 1.415 1064 T HN -0.037 nan 8.240 nan 0.000 0.496 1065 I N 2.177 122.736 120.570 -0.018 0.000 2.406 1065 I HA 0.464 4.642 4.170 0.012 0.000 0.290 1065 I C 0.777 176.917 176.117 0.038 0.000 0.999 1065 I CA -0.753 60.556 61.300 0.015 0.000 1.124 1065 I CB 2.033 40.021 38.000 -0.019 0.000 1.289 1065 I HN 0.844 nan 8.210 nan 0.000 0.441 1066 S N 4.680 120.439 115.700 0.099 0.000 2.624 1066 S HA 0.343 4.820 4.470 0.012 0.000 0.263 1066 S C 0.085 174.720 174.600 0.059 0.000 1.287 1066 S CA -0.839 57.416 58.200 0.092 0.000 0.990 1066 S CB 0.942 64.246 63.200 0.173 0.000 0.950 1066 S HN 0.459 nan 8.310 nan 0.000 0.561 1067 E N 1.591 121.821 120.200 0.051 0.000 2.422 1067 E HA 0.270 4.627 4.350 0.012 0.000 0.260 1067 E C -2.306 174.329 176.600 0.058 0.000 1.108 1067 E CA -1.723 54.704 56.400 0.044 0.000 0.943 1067 E CB -0.442 29.280 29.700 0.037 0.000 0.961 1067 E HN 0.476 nan 8.360 nan 0.000 0.443 1068 P HA 0.044 nan 4.420 nan 0.000 0.278 1068 P C -0.371 176.966 177.300 0.061 0.000 1.238 1068 P CA -0.381 62.755 63.100 0.061 0.000 0.794 1068 P CB 0.496 32.225 31.700 0.050 0.000 0.955 1069 D N 1.114 121.556 120.400 0.071 0.000 2.398 1069 D HA -0.056 4.591 4.640 0.012 0.000 0.264 1069 D C 1.022 177.349 176.300 0.045 0.000 1.263 1069 D CA -0.245 53.792 54.000 0.061 0.000 1.037 1069 D CB -0.063 40.777 40.800 0.068 0.000 1.101 1069 D HN 0.445 nan 8.370 nan 0.000 0.551 1070 E N -0.661 119.561 120.200 0.037 0.000 2.533 1070 E HA -0.168 4.189 4.350 0.012 0.000 0.201 1070 E C -0.156 176.456 176.600 0.021 0.000 1.097 1070 E CA 0.571 56.987 56.400 0.027 0.000 0.887 1070 E CB -0.938 28.775 29.700 0.023 0.000 0.855 1070 E HN 0.536 nan 8.360 nan 0.000 0.540 1071 N N -0.311 118.403 118.700 0.024 0.000 2.159 1071 N HA 0.205 4.953 4.740 0.012 0.000 0.217 1071 N C 0.697 176.222 175.510 0.026 0.000 1.223 1071 N CA 0.195 53.256 53.050 0.018 0.000 0.896 1071 N CB 1.439 39.931 38.487 0.008 0.000 1.064 1071 N HN 0.261 nan 8.380 nan 0.000 0.518 1072 G N 0.947 109.768 108.800 0.034 0.000 2.148 1072 G HA2 -0.274 3.694 3.960 0.012 0.000 0.254 1072 G HA3 -0.274 3.694 3.960 0.012 0.000 0.254 1072 G C -0.505 174.426 174.900 0.052 0.000 0.981 1072 G CA -0.265 44.859 45.100 0.039 0.000 0.670 1072 G HN 0.260 nan 8.290 nan 0.000 0.528 1073 N N 0.853 119.591 118.700 0.063 0.000 2.422 1073 N HA 0.432 5.179 4.740 0.012 0.000 0.264 1073 N C 0.571 176.155 175.510 0.123 0.000 1.063 1073 N CA 0.026 53.135 53.050 0.098 0.000 0.959 1073 N CB 0.685 39.233 38.487 0.102 0.000 1.087 1073 N HN 0.444 nan 8.380 nan 0.000 0.483 1074 R N 0.614 121.181 120.500 0.111 0.000 2.486 1074 R HA 0.435 4.782 4.340 0.012 0.000 0.286 1074 R C -0.252 176.087 176.300 0.065 0.000 0.999 1074 R CA -0.478 55.673 56.100 0.086 0.000 0.993 1074 R CB 1.074 31.404 30.300 0.049 0.000 1.084 1074 R HN 0.343 nan 8.270 nan 0.000 0.487 1075 T N 3.627 118.189 114.554 0.013 0.000 2.756 1075 T HA 0.395 4.752 4.350 0.012 0.000 0.290 1075 T C 0.277 174.869 174.700 -0.180 0.000 0.985 1075 T CA -0.486 61.496 62.100 -0.197 0.000 0.955 1075 T CB 0.446 69.194 68.868 -0.201 0.000 0.930 1075 T HN 0.311 nan 8.240 nan 0.000 0.451 1076 I N 3.384 123.776 120.570 -0.297 0.000 2.331 1076 I HA 0.305 4.482 4.170 0.012 0.000 0.292 1076 I C -0.701 175.173 176.117 -0.404 0.000 0.998 1076 I CA -0.922 60.196 61.300 -0.304 0.000 1.267 1076 I CB 0.747 38.491 38.000 -0.426 0.000 1.386 1076 I HN 0.556 nan 8.210 nan 0.000 0.476 1077 Y N 6.109 126.215 120.300 -0.323 0.000 2.454 1077 Y HA 0.396 4.953 4.550 0.012 0.000 0.345 1077 Y C -0.384 175.379 175.900 -0.227 0.000 0.970 1077 Y CA -0.360 57.621 58.100 -0.199 0.000 1.204 1077 Y CB 0.236 38.626 38.460 -0.117 0.000 1.122 1077 Y HN 0.363 nan 8.280 nan 0.000 0.514 1078 Y N 1.000 121.336 120.300 0.060 0.000 2.496 1078 Y HA 0.735 5.291 4.550 0.011 0.000 0.331 1078 Y C 0.020 175.950 175.900 0.051 0.000 1.140 1078 Y CA -1.426 56.702 58.100 0.048 0.000 1.166 1078 Y CB 1.687 40.157 38.460 0.018 0.000 1.249 1078 Y HN 0.521 nan 8.280 nan 0.000 0.479 1079 A N 3.342 126.308 122.820 0.243 0.000 2.273 1079 A HA 0.560 4.887 4.320 0.012 0.000 0.315 1079 A C -0.806 176.845 177.584 0.111 0.000 1.256 1079 A CA -0.669 51.455 52.037 0.145 0.000 0.851 1079 A CB 0.313 19.375 19.000 0.103 0.000 1.172 1079 A HN 0.792 nan 8.150 nan 0.000 0.508 1080 M N 3.962 123.600 119.600 0.064 0.000 2.152 1080 M HA 0.160 4.647 4.480 0.012 0.000 0.354 1080 M C -0.128 176.182 176.300 0.017 0.000 1.173 1080 M CA -0.348 54.961 55.300 0.015 0.000 1.110 1080 M CB 0.103 32.686 32.600 -0.028 0.000 1.366 1080 M HN 0.963 nan 8.290 nan 0.000 0.415 1081 N N 2.148 120.860 118.700 0.020 0.000 2.664 1081 N HA -0.208 4.539 4.740 0.012 0.000 0.296 1081 N C 0.467 175.989 175.510 0.019 0.000 1.153 1081 N CA 1.147 54.208 53.050 0.018 0.000 0.765 1081 N CB -1.636 36.857 38.487 0.009 0.000 0.962 1081 N HN 1.006 nan 8.380 nan 0.000 0.564 1082 G N -0.397 108.419 108.800 0.027 0.000 2.225 1082 G HA2 -0.332 3.635 3.960 0.012 0.000 0.254 1082 G HA3 -0.332 3.635 3.960 0.012 0.000 0.254 1082 G C -0.341 174.578 174.900 0.031 0.000 0.988 1082 G CA 0.491 45.607 45.100 0.026 0.000 0.625 1082 G HN 0.822 nan 8.290 nan 0.000 0.527 1083 Q N 0.388 120.208 119.800 0.034 0.000 2.337 1083 Q HA 0.683 5.031 4.340 0.012 0.000 0.266 1083 Q C 0.215 176.250 176.000 0.058 0.000 1.023 1083 Q CA -0.152 55.674 55.803 0.038 0.000 0.829 1083 Q CB 2.105 30.858 28.738 0.025 0.000 1.306 1083 Q HN 0.704 nan 8.270 nan 0.000 0.449 1084 A N 2.569 125.429 122.820 0.066 0.000 2.462 1084 A HA 0.457 4.785 4.320 0.012 0.000 0.243 1084 A C -0.125 177.507 177.584 0.080 0.000 1.076 1084 A CA 0.260 52.349 52.037 0.086 0.000 0.773 1084 A CB 0.282 19.336 19.000 0.091 0.000 1.010 1084 A HN 0.676 nan 8.150 nan 0.000 0.493 1085 R N 0.239 120.795 120.500 0.093 0.000 2.561 1085 R HA 0.477 4.824 4.340 0.012 0.000 0.266 1085 R C -1.333 174.991 176.300 0.040 0.000 1.091 1085 R CA -0.262 55.884 56.100 0.077 0.000 0.927 1085 R CB 1.466 31.822 30.300 0.093 0.000 1.240 1085 R HN 0.852 nan 8.270 nan 0.000 0.449 1086 R N 4.317 124.787 120.500 -0.051 0.000 2.561 1086 R HA 0.611 4.959 4.340 0.012 0.000 0.297 1086 R C -0.631 175.526 176.300 -0.239 0.000 0.969 1086 R CA -0.887 55.062 56.100 -0.251 0.000 0.879 1086 R CB 1.706 31.764 30.300 -0.405 0.000 1.178 1086 R HN 0.350 nan 8.270 nan 0.000 0.445 1087 I N 2.803 123.188 120.570 -0.309 0.000 2.730 1087 I HA 0.384 4.561 4.170 0.012 0.000 0.298 1087 I C -0.861 175.010 176.117 -0.409 0.000 1.089 1087 I CA -0.980 60.212 61.300 -0.180 0.000 1.041 1087 I CB 2.003 40.090 38.000 0.144 0.000 1.235 1087 I HN 0.553 nan 8.210 nan 0.000 0.423 1088 Y N 4.709 125.034 120.300 0.040 0.000 2.393 1088 Y HA 0.659 5.216 4.550 0.011 0.000 0.341 1088 Y C -0.252 175.676 175.900 0.046 0.000 0.988 1088 Y CA -0.747 57.368 58.100 0.026 0.000 1.078 1088 Y CB 2.111 40.579 38.460 0.013 0.000 1.203 1088 Y HN 0.286 nan 8.280 nan 0.000 0.453 1089 I N 2.788 123.463 120.570 0.176 0.000 2.607 1089 I HA 0.242 4.420 4.170 0.012 0.000 0.290 1089 I C -0.966 175.210 176.117 0.098 0.000 1.129 1089 I CA -0.940 60.434 61.300 0.122 0.000 1.042 1089 I CB 2.015 40.068 38.000 0.089 0.000 1.242 1089 I HN 0.398 nan 8.210 nan 0.000 0.421 1090 K N 4.537 124.985 120.400 0.080 0.000 2.379 1090 K HA 0.193 4.521 4.320 0.012 0.000 0.284 1090 K C -0.678 175.949 176.600 0.044 0.000 1.044 1090 K CA 0.167 56.488 56.287 0.057 0.000 0.974 1090 K CB 0.467 32.993 32.500 0.043 0.000 0.962 1090 K HN 0.431 nan 8.250 nan 0.000 0.474 1091 D N 3.698 124.122 120.400 0.040 0.000 2.317 1091 D HA 0.118 4.765 4.640 0.012 0.000 0.234 1091 D C -0.973 175.343 176.300 0.026 0.000 1.112 1091 D CA -0.433 53.586 54.000 0.031 0.000 0.840 1091 D CB 0.763 41.583 40.800 0.034 0.000 1.078 1091 D HN 0.473 nan 8.370 nan 0.000 0.486 1092 E N 2.911 123.122 120.200 0.019 0.000 1.858 1092 E HA 0.124 4.482 4.350 0.012 0.000 0.267 1092 E C 0.978 177.590 176.600 0.020 0.000 1.215 1092 E CA -0.079 56.330 56.400 0.014 0.000 0.952 1092 E CB 0.110 29.813 29.700 0.005 0.000 1.058 1092 E HN 0.388 nan 8.360 nan 0.000 0.407 1093 N N 1.933 120.650 118.700 0.027 0.000 2.223 1093 N HA -0.113 4.634 4.740 0.012 0.000 0.185 1093 N C -0.278 175.268 175.510 0.059 0.000 1.016 1093 N CA 0.583 53.659 53.050 0.043 0.000 0.863 1093 N CB 0.063 38.582 38.487 0.052 0.000 0.983 1093 N HN 0.147 nan 8.380 nan 0.000 0.429 1094 V N 2.759 122.700 119.914 0.045 0.000 3.699 1094 V HA -0.235 3.892 4.120 0.012 0.000 0.464 1094 V C -0.425 175.775 176.094 0.177 0.000 0.681 1094 V CA 0.591 62.925 62.300 0.056 0.000 1.940 1094 V CB -1.910 29.970 31.823 0.095 0.000 2.368 1094 V HN 0.573 nan 8.190 nan 0.000 0.496 1095 H N 0.320 119.393 119.070 0.005 0.000 4.861 1095 H HA -0.094 4.471 4.556 0.015 0.000 0.261 1095 H C 0.258 175.589 175.328 0.006 0.000 0.539 1095 H CA 0.673 56.723 56.048 0.005 0.000 0.738 1095 H CB -0.436 29.329 29.762 0.004 0.000 0.876 1095 H HN 1.178 nan 8.280 nan 0.000 0.310 1096 T N 0.361 114.993 114.554 0.130 0.000 2.890 1096 T HA 0.486 4.843 4.350 0.012 0.000 0.295 1096 T C 0.741 175.479 174.700 0.063 0.000 0.993 1096 T CA -0.300 61.845 62.100 0.074 0.000 0.979 1096 T CB 1.589 70.482 68.868 0.042 0.000 0.967 1096 T HN 0.795 nan 8.240 nan 0.000 0.441 1097 N N 1.299 120.029 118.700 0.049 0.000 1.863 1097 N HA 0.033 4.780 4.740 0.012 0.000 0.241 1097 N C 1.128 176.653 175.510 0.026 0.000 1.395 1097 N CA 0.220 53.290 53.050 0.033 0.000 0.765 1097 N CB -0.227 38.276 38.487 0.026 0.000 1.120 1097 N HN 0.599 nan 8.380 nan 0.000 0.510 1098 A N 0.657 123.494 122.820 0.029 0.000 2.251 1098 A HA 0.220 4.547 4.320 0.012 0.000 0.209 1098 A C 0.242 177.842 177.584 0.027 0.000 1.187 1098 A CA -0.268 51.783 52.037 0.025 0.000 0.823 1098 A CB -0.891 18.124 19.000 0.025 0.000 0.846 1098 A HN 0.416 nan 8.150 nan 0.000 0.486 1099 N N -0.082 118.635 118.700 0.029 0.000 2.497 1099 N HA 0.307 5.054 4.740 0.012 0.000 0.268 1099 N C -0.804 174.724 175.510 0.030 0.000 1.171 1099 N CA -0.278 52.791 53.050 0.031 0.000 0.948 1099 N CB 1.273 39.778 38.487 0.030 0.000 1.069 1099 N HN 0.017 nan 8.380 nan 0.000 0.460 1100 V N 3.947 123.882 119.914 0.035 0.000 2.389 1100 V HA 0.075 4.202 4.120 0.012 0.000 0.264 1100 V C 0.339 176.456 176.094 0.038 0.000 1.049 1100 V CA -0.357 61.964 62.300 0.036 0.000 0.932 1100 V CB 0.232 32.079 31.823 0.041 0.000 1.011 1100 V HN 0.551 nan 8.190 nan 0.000 0.475 1101 K N 6.871 127.292 120.400 0.034 0.000 2.218 1101 K HA 0.403 4.731 4.320 0.012 0.000 0.276 1101 K C -2.357 174.269 176.600 0.043 0.000 1.022 1101 K CA -1.874 54.434 56.287 0.035 0.000 0.946 1101 K CB 0.825 33.343 32.500 0.030 0.000 1.000 1101 K HN 0.364 nan 8.250 nan 0.000 0.468 1102 P HA 0.067 nan 4.420 nan 0.000 0.271 1102 P C -0.450 176.890 177.300 0.068 0.000 1.218 1102 P CA -0.187 62.950 63.100 0.063 0.000 0.780 1102 P CB 0.549 32.294 31.700 0.076 0.000 0.901 1103 K N 1.545 121.983 120.400 0.064 0.000 2.339 1103 K HA 0.346 4.673 4.320 0.012 0.000 0.286 1103 K C 0.412 177.062 176.600 0.085 0.000 1.050 1103 K CA -0.221 56.102 56.287 0.061 0.000 0.956 1103 K CB 0.725 33.251 32.500 0.043 0.000 0.990 1103 K HN 0.547 nan 8.250 nan 0.000 0.475 1104 A N 2.938 125.817 122.820 0.099 0.000 2.511 1104 A HA -0.047 4.281 4.320 0.012 0.000 0.242 1104 A C 0.141 177.757 177.584 0.053 0.000 1.069 1104 A CA -0.140 51.988 52.037 0.151 0.000 0.763 1104 A CB 0.004 19.088 19.000 0.140 0.000 1.001 1104 A HN 0.652 nan 8.150 nan 0.000 0.498 1105 D N 1.694 122.057 120.400 -0.063 0.000 2.358 1105 D HA 0.151 4.798 4.640 0.012 0.000 0.258 1105 D C 1.012 177.275 176.300 -0.063 0.000 1.223 1105 D CA 0.332 54.244 54.000 -0.146 0.000 0.886 1105 D CB 0.696 41.282 40.800 -0.356 0.000 1.120 1105 D HN 0.513 nan 8.370 nan 0.000 0.482 1106 K N 1.076 121.465 120.400 -0.019 0.000 2.057 1106 K HA -0.065 4.262 4.320 0.012 0.000 0.206 1106 K C 1.190 177.795 176.600 0.009 0.000 1.050 1106 K CA 1.002 57.294 56.287 0.008 0.000 0.935 1106 K CB 0.099 32.605 32.500 0.011 0.000 0.715 1106 K HN 0.435 nan 8.250 nan 0.000 0.439 1107 S N 0.807 116.504 115.700 -0.005 0.000 2.994 1107 S HA 0.127 4.604 4.470 0.012 0.000 0.247 1107 S C -0.421 174.177 174.600 -0.003 0.000 1.323 1107 S CA -0.599 57.602 58.200 0.002 0.000 1.246 1107 S CB -0.511 62.689 63.200 -0.000 0.000 0.994 1107 S HN 0.121 nan 8.310 nan 0.000 0.484 1108 N N 1.830 120.533 118.700 0.006 0.000 2.504 1108 N HA 0.421 5.168 4.740 0.012 0.000 0.280 1108 N C -1.865 173.714 175.510 0.115 0.000 1.052 1108 N CA -1.921 51.144 53.050 0.025 0.000 0.887 1108 N CB 1.782 40.218 38.487 -0.085 0.000 1.323 1108 N HN -0.057 nan 8.380 nan 0.000 0.509 1109 P HA -0.080 nan 4.420 nan 0.000 0.220 1109 P C 0.651 178.154 177.300 0.338 0.000 1.148 1109 P CA 0.982 64.214 63.100 0.220 0.000 0.803 1109 P CB 0.439 32.254 31.700 0.191 0.000 0.782 1110 S N -1.234 114.647 115.700 0.302 0.000 2.355 1110 S HA -0.091 4.386 4.470 0.012 0.000 0.222 1110 S C 0.682 175.431 174.600 0.248 0.000 1.031 1110 S CA 0.717 59.111 58.200 0.324 0.000 0.993 1110 S CB -1.048 62.300 63.200 0.248 0.000 0.859 1110 S HN 0.337 nan 8.310 nan 0.000 0.453 1111 H N 0.845 119.973 119.070 0.096 0.000 3.026 1111 H HA 0.276 4.840 4.556 0.013 0.000 0.289 1111 H C -0.186 175.165 175.328 0.038 0.000 1.022 1111 H CA 0.087 56.170 56.048 0.059 0.000 1.477 1111 H CB -0.236 29.555 29.762 0.048 0.000 1.510 1111 H HN 0.237 nan 8.280 nan 0.000 0.535 1112 I N 3.085 123.691 120.570 0.059 0.000 2.353 1112 I HA 0.338 4.515 4.170 0.012 0.000 0.293 1112 I C 1.222 177.358 176.117 0.032 0.000 0.992 1112 I CA -0.296 61.017 61.300 0.021 0.000 1.268 1112 I CB 1.498 39.478 38.000 -0.033 0.000 1.387 1112 I HN 0.593 nan 8.210 nan 0.000 0.478 1113 G N 3.686 112.507 108.800 0.035 0.000 2.597 1113 G HA2 0.723 4.690 3.960 0.012 0.000 0.317 1113 G HA3 0.723 4.690 3.960 0.012 0.000 0.317 1113 G C -1.010 173.899 174.900 0.016 0.000 1.230 1113 G CA -0.730 44.391 45.100 0.035 0.000 0.996 1113 G HN 0.740 nan 8.290 nan 0.000 0.490 1114 A N -0.449 122.381 122.820 0.017 0.000 2.328 1114 A HA 0.506 4.833 4.320 0.012 0.000 0.284 1114 A C 0.880 178.470 177.584 0.010 0.000 1.160 1114 A CA -0.373 51.670 52.037 0.010 0.000 0.818 1114 A CB 0.944 19.950 19.000 0.011 0.000 1.087 1114 A HN 0.575 nan 8.150 nan 0.000 0.504 1115 Q N 1.313 121.116 119.800 0.005 0.000 2.269 1115 Q HA 0.209 4.556 4.340 0.012 0.000 0.201 1115 Q C 0.036 176.039 176.000 0.004 0.000 0.946 1115 Q CA 0.957 56.763 55.803 0.004 0.000 0.877 1115 Q CB -0.410 28.328 28.738 0.000 0.000 0.963 1115 Q HN 0.834 nan 8.270 nan 0.000 0.472 1116 M N -2.547 117.056 119.600 0.004 0.000 2.575 1116 M HA 0.656 5.144 4.480 0.012 0.000 0.284 1116 M C -2.879 173.424 176.300 0.005 0.000 1.253 1116 M CA -2.934 52.368 55.300 0.004 0.000 0.861 1116 M CB 0.953 33.554 32.600 0.002 0.000 1.733 1116 M HN -0.376 nan 8.290 nan 0.000 0.462 1117 P HA 0.596 nan 4.420 nan 0.000 0.271 1117 P C -0.187 177.115 177.300 0.004 0.000 1.216 1117 P CA 0.231 63.334 63.100 0.005 0.000 0.771 1117 P CB 0.744 32.447 31.700 0.004 0.000 0.864 1118 G N 0.672 109.475 108.800 0.004 0.000 2.500 1118 G HA2 0.489 4.456 3.960 0.012 0.000 0.299 1118 G HA3 0.489 4.456 3.960 0.012 0.000 0.299 1118 G C -1.457 173.446 174.900 0.005 0.000 1.242 1118 G CA -0.346 44.756 45.100 0.003 0.000 0.859 1118 G HN 0.360 nan 8.290 nan 0.000 0.481 1119 S N -1.468 114.235 115.700 0.005 0.000 2.600 1119 S HA 0.627 5.104 4.470 0.012 0.000 0.300 1119 S C -0.403 174.200 174.600 0.006 0.000 1.087 1119 S CA -0.471 57.733 58.200 0.006 0.000 0.965 1119 S CB 1.911 65.115 63.200 0.007 0.000 1.089 1119 S HN 0.787 nan 8.310 nan 0.000 0.496 1120 V N 3.100 123.019 119.914 0.007 0.000 2.339 1120 V HA 0.163 4.291 4.120 0.012 0.000 0.261 1120 V C 1.083 177.181 176.094 0.006 0.000 1.058 1120 V CA -0.075 62.228 62.300 0.006 0.000 0.897 1120 V CB -0.121 31.706 31.823 0.006 0.000 1.052 1120 V HN 1.026 nan 8.190 nan 0.000 0.480 1121 T N 2.857 117.413 114.554 0.004 0.000 2.770 1121 T HA -0.047 4.311 4.350 0.012 0.000 0.263 1121 T C 0.662 175.364 174.700 0.004 0.000 1.039 1121 T CA 1.186 63.288 62.100 0.004 0.000 1.142 1121 T CB 0.230 69.099 68.868 0.002 0.000 0.868 1121 T HN 0.723 nan 8.240 nan 0.000 0.435 1122 E N -0.018 120.183 120.200 0.002 0.000 2.321 1122 E HA 0.491 4.849 4.350 0.012 0.000 0.278 1122 E C -1.924 174.676 176.600 -0.001 0.000 0.902 1122 E CA -0.467 55.934 56.400 0.001 0.000 0.758 1122 E CB 2.642 32.342 29.700 -0.000 0.000 1.213 1122 E HN -0.030 nan 8.360 nan 0.000 0.426 1123 V N 4.786 124.699 119.914 -0.001 0.000 2.427 1123 V HA 0.369 4.496 4.120 0.012 0.000 0.286 1123 V C 0.079 176.172 176.094 -0.003 0.000 1.034 1123 V CA -0.016 62.283 62.300 -0.003 0.000 0.893 1123 V CB 1.380 33.202 31.823 -0.002 0.000 0.982 1123 V HN 0.721 nan 8.190 nan 0.000 0.452 1124 K N 4.246 124.643 120.400 -0.005 0.000 2.412 1124 K HA 0.256 4.583 4.320 0.012 0.000 0.202 1124 K C -0.213 176.385 176.600 -0.004 0.000 1.102 1124 K CA 0.545 56.830 56.287 -0.004 0.000 1.027 1124 K CB 1.363 33.860 32.500 -0.005 0.000 0.931 1124 K HN 0.671 nan 8.250 nan 0.000 0.557 1125 V N -2.715 117.196 119.914 -0.005 0.000 3.040 1125 V HA 0.705 4.832 4.120 0.012 0.000 0.312 1125 V C -0.301 175.791 176.094 -0.004 0.000 1.115 1125 V CA -0.818 61.480 62.300 -0.003 0.000 0.998 1125 V CB 2.093 33.913 31.823 -0.004 0.000 1.042 1125 V HN -0.048 nan 8.190 nan 0.000 0.433 1126 S N 0.386 116.084 115.700 -0.002 0.000 2.806 1126 S HA 0.718 5.196 4.470 0.012 0.000 0.306 1126 S C -0.767 173.832 174.600 -0.002 0.000 1.167 1126 S CA -0.440 57.758 58.200 -0.003 0.000 0.847 1126 S CB 1.994 65.192 63.200 -0.003 0.000 1.216 1126 S HN 1.044 nan 8.310 nan 0.000 0.532 1127 V N 2.369 122.281 119.914 -0.004 0.000 2.409 1127 V HA 0.454 4.582 4.120 0.012 0.000 0.270 1127 V C 1.139 177.233 176.094 -0.000 0.000 1.019 1127 V CA 1.234 63.532 62.300 -0.003 0.000 1.066 1127 V CB -0.479 31.341 31.823 -0.005 0.000 1.021 1127 V HN 1.285 nan 8.190 nan 0.000 0.476 1128 G N 3.816 112.618 108.800 0.003 0.000 2.427 1128 G HA2 -0.132 3.835 3.960 0.012 0.000 0.193 1128 G HA3 -0.132 3.835 3.960 0.012 0.000 0.193 1128 G C -0.375 174.529 174.900 0.007 0.000 1.086 1128 G CA -0.477 44.626 45.100 0.005 0.000 0.818 1128 G HN 0.658 nan 8.290 nan 0.000 0.490 1129 E N 0.272 120.477 120.200 0.009 0.000 2.210 1129 E HA 0.593 4.950 4.350 0.012 0.000 0.266 1129 E C -0.617 175.993 176.600 0.017 0.000 0.883 1129 E CA -0.647 55.759 56.400 0.010 0.000 0.761 1129 E CB 1.656 31.361 29.700 0.007 0.000 1.156 1129 E HN 0.129 nan 8.360 nan 0.000 0.412 1130 T N 2.134 116.698 114.554 0.017 0.000 2.977 1130 T HA 0.404 4.762 4.350 0.012 0.000 0.346 1130 T C -0.484 174.230 174.700 0.022 0.000 1.140 1130 T CA -0.550 61.564 62.100 0.023 0.000 1.040 1130 T CB 0.382 69.262 68.868 0.020 0.000 1.046 1130 T HN 0.133 nan 8.240 nan 0.000 0.494 1131 V N 2.060 121.990 119.914 0.026 0.000 2.962 1131 V HA 0.544 4.671 4.120 0.012 0.000 0.313 1131 V C 0.090 176.203 176.094 0.031 0.000 1.099 1131 V CA -1.608 60.706 62.300 0.022 0.000 0.971 1131 V CB 2.160 33.992 31.823 0.014 0.000 1.028 1131 V HN 0.534 nan 8.190 nan 0.000 0.430 1132 K N 1.474 121.891 120.400 0.028 0.000 2.229 1132 K HA 0.483 4.811 4.320 0.012 0.000 0.250 1132 K C 0.505 177.125 176.600 0.033 0.000 1.016 1132 K CA 0.510 56.818 56.287 0.035 0.000 0.866 1132 K CB 0.062 32.578 32.500 0.026 0.000 1.028 1132 K HN 1.010 nan 8.250 nan 0.000 0.514 1133 A N 1.749 124.594 122.820 0.041 0.000 2.483 1133 A HA 0.073 4.401 4.320 0.012 0.000 0.238 1133 A C 0.117 177.701 177.584 -0.000 0.000 1.070 1133 A CA 0.154 52.204 52.037 0.022 0.000 0.770 1133 A CB -0.243 18.781 19.000 0.040 0.000 1.008 1133 A HN 0.840 nan 8.150 nan 0.000 0.497 1134 N N -1.381 117.305 118.700 -0.023 0.000 2.979 1134 N HA -0.165 4.583 4.740 0.012 0.000 0.234 1134 N C -0.094 175.405 175.510 -0.019 0.000 0.938 1134 N CA 1.394 54.430 53.050 -0.023 0.000 0.961 1134 N CB -1.474 37.006 38.487 -0.012 0.000 1.089 1134 N HN 1.042 nan 8.380 nan 0.000 0.576 1135 Q N 1.358 121.147 119.800 -0.017 0.000 2.297 1135 Q HA 0.353 4.700 4.340 0.012 0.000 0.267 1135 Q C -2.396 173.593 176.000 -0.019 0.000 1.006 1135 Q CA -1.188 54.607 55.803 -0.013 0.000 0.896 1135 Q CB 0.384 29.119 28.738 -0.006 0.000 1.186 1135 Q HN 0.056 nan 8.270 nan 0.000 0.392 1136 P HA -0.015 nan 4.420 nan 0.000 0.259 1136 P C -0.159 177.133 177.300 -0.014 0.000 1.635 1136 P CA -0.085 63.006 63.100 -0.015 0.000 1.199 1136 P CB -0.061 31.633 31.700 -0.011 0.000 1.850 1137 L N 0.662 121.874 121.223 -0.019 0.000 2.509 1137 L HA 0.431 4.779 4.340 0.012 0.000 0.222 1137 L C 0.342 177.203 176.870 -0.015 0.000 1.123 1137 L CA 0.655 55.486 54.840 -0.016 0.000 0.856 1137 L CB -0.414 41.633 42.059 -0.020 0.000 0.985 1137 L HN 0.047 nan 8.230 nan 0.000 0.456 1138 L N 0.539 121.752 121.223 -0.015 0.000 2.676 1138 L HA 0.522 4.869 4.340 0.012 0.000 0.262 1138 L C -1.302 175.561 176.870 -0.011 0.000 0.932 1138 L CA -0.215 54.618 54.840 -0.012 0.000 0.932 1138 L CB 1.976 44.026 42.059 -0.014 0.000 1.355 1138 L HN 0.011 nan 8.230 nan 0.000 0.421 1139 I N 3.622 124.188 120.570 -0.007 0.000 2.321 1139 I HA 0.515 4.693 4.170 0.012 0.000 0.291 1139 I C 0.395 176.510 176.117 -0.004 0.000 0.998 1139 I CA -0.280 61.016 61.300 -0.006 0.000 1.227 1139 I CB 1.710 39.708 38.000 -0.004 0.000 1.368 1139 I HN 0.687 nan 8.210 nan 0.000 0.466 1140 T N 1.500 116.052 114.554 -0.004 0.000 2.938 1140 T HA 0.587 4.944 4.350 0.012 0.000 0.285 1140 T C -0.529 174.170 174.700 -0.001 0.000 1.028 1140 T CA -0.829 61.270 62.100 -0.002 0.000 1.005 1140 T CB 2.206 71.073 68.868 -0.003 0.000 1.157 1140 T HN 0.477 nan 8.240 nan 0.000 0.550 1141 E N -0.620 119.580 120.200 0.000 0.000 2.235 1141 E HA 0.640 4.997 4.350 0.012 0.000 0.252 1141 E C 0.388 176.989 176.600 0.001 0.000 0.886 1141 E CA -0.551 55.849 56.400 0.001 0.000 0.767 1141 E CB 0.940 30.642 29.700 0.002 0.000 1.205 1141 E HN 0.798 nan 8.360 nan 0.000 0.421 1142 A N 4.979 127.799 122.820 -0.000 0.000 1.824 1142 A HA 0.118 4.445 4.320 0.012 0.000 0.215 1142 A C 0.903 178.487 177.584 0.000 0.000 1.244 1142 A CA 1.363 53.400 52.037 -0.000 0.000 0.604 1142 A CB -0.018 18.982 19.000 -0.001 0.000 0.900 1142 A HN 0.696 nan 8.150 nan 0.000 0.455 1143 M N -3.259 116.341 119.600 -0.000 0.000 2.151 1143 M HA 0.484 4.971 4.480 0.012 0.000 0.229 1143 M C -0.633 175.666 176.300 -0.000 0.000 1.029 1143 M CA -0.323 54.976 55.300 -0.000 0.000 0.765 1143 M CB 1.106 33.706 32.600 -0.000 0.000 1.969 1143 M HN 0.373 nan 8.290 nan 0.000 0.352 1144 K N 0.714 121.114 120.400 -0.000 0.000 3.339 1144 K HA -0.054 4.273 4.320 0.012 0.000 0.299 1144 K C -0.923 175.677 176.600 -0.000 0.000 1.270 1144 K CA 1.018 57.305 56.287 -0.000 0.000 0.875 1144 K CB -0.898 31.601 32.500 -0.000 0.000 1.298 1144 K HN 0.718 nan 8.250 nan 0.000 0.485 1145 M N 0.893 120.492 119.600 -0.001 0.000 2.263 1145 M HA 0.259 4.746 4.480 0.012 0.000 0.295 1145 M C -0.449 175.850 176.300 -0.001 0.000 1.028 1145 M CA -0.258 55.042 55.300 -0.001 0.000 0.921 1145 M CB 1.901 34.501 32.600 -0.001 0.000 1.601 1145 M HN -0.002 nan 8.290 nan 0.000 0.440 1146 E N 2.559 122.758 120.200 -0.002 0.000 2.200 1146 E HA 0.348 4.706 4.350 0.012 0.000 0.283 1146 E C -0.293 176.305 176.600 -0.004 0.000 1.015 1146 E CA -0.140 56.258 56.400 -0.002 0.000 0.819 1146 E CB 1.320 31.019 29.700 -0.002 0.000 1.081 1146 E HN 0.589 nan 8.360 nan 0.000 0.397 1147 T N 0.239 114.790 114.554 -0.004 0.000 2.786 1147 T HA 0.209 4.566 4.350 0.012 0.000 0.283 1147 T C -0.007 174.688 174.700 -0.008 0.000 0.992 1147 T CA -0.924 61.172 62.100 -0.006 0.000 0.954 1147 T CB 1.559 70.423 68.868 -0.007 0.000 0.934 1147 T HN 0.241 nan 8.240 nan 0.000 0.440 1148 T N 4.874 119.422 114.554 -0.010 0.000 2.739 1148 T HA 0.400 4.758 4.350 0.012 0.000 0.298 1148 T C 0.242 174.932 174.700 -0.017 0.000 0.929 1148 T CA -0.750 61.342 62.100 -0.012 0.000 1.014 1148 T CB -0.867 67.994 68.868 -0.011 0.000 0.914 1148 T HN 0.630 nan 8.240 nan 0.000 0.509 1149 I N 5.426 125.984 120.570 -0.020 0.000 2.533 1149 I HA 0.152 4.329 4.170 0.012 0.000 0.284 1149 I C 0.788 176.884 176.117 -0.036 0.000 1.109 1149 I CA 0.104 61.387 61.300 -0.028 0.000 1.412 1149 I CB 0.634 38.618 38.000 -0.027 0.000 1.396 1149 I HN 0.574 nan 8.210 nan 0.000 0.543 1150 Q N 4.777 124.548 119.800 -0.047 0.000 2.348 1150 Q HA 0.679 5.026 4.340 0.012 0.000 0.271 1150 Q C -0.508 175.436 176.000 -0.093 0.000 1.067 1150 Q CA -1.020 54.749 55.803 -0.056 0.000 0.839 1150 Q CB 2.244 30.954 28.738 -0.046 0.000 1.354 1150 Q HN 0.768 nan 8.270 nan 0.000 0.447 1151 A N 2.131 124.890 122.820 -0.103 0.000 2.440 1151 A HA 0.287 4.615 4.320 0.012 0.000 0.251 1151 A C -1.807 175.631 177.584 -0.244 0.000 1.089 1151 A CA -1.045 50.885 52.037 -0.178 0.000 0.779 1151 A CB -0.086 18.842 19.000 -0.120 0.000 1.022 1151 A HN 0.547 nan 8.150 nan 0.000 0.492 1152 P HA 0.084 nan 4.420 nan 0.000 0.222 1152 P C -0.331 176.777 177.300 -0.321 0.000 1.153 1152 P CA 0.997 63.817 63.100 -0.467 0.000 0.798 1152 P CB -0.002 31.268 31.700 -0.716 0.000 0.796 1153 F N -3.321 116.634 119.950 0.008 0.000 2.686 1153 F HA 0.517 5.051 4.527 0.012 0.000 0.311 1153 F C -0.943 174.861 175.800 0.006 0.000 1.128 1153 F CA -2.611 55.394 58.000 0.007 0.000 0.946 1153 F CB -0.233 38.772 39.000 0.009 0.000 1.336 1153 F HN -0.452 nan 8.300 nan 0.000 0.457 1154 D N 0.833 121.398 120.400 0.274 0.000 2.450 1154 D HA 0.486 5.133 4.640 0.012 0.000 0.247 1154 D C 0.481 176.897 176.300 0.193 0.000 1.162 1154 D CA 1.226 55.328 54.000 0.169 0.000 0.879 1154 D CB 0.941 41.798 40.800 0.095 0.000 1.163 1154 D HN 1.064 nan 8.370 nan 0.000 0.472 1155 G N -0.160 108.738 108.800 0.163 0.000 2.428 1155 G HA2 0.491 4.458 3.960 0.012 0.000 0.305 1155 G HA3 0.491 4.458 3.960 0.012 0.000 0.305 1155 G C -1.420 173.537 174.900 0.095 0.000 1.260 1155 G CA -0.358 44.822 45.100 0.134 0.000 0.853 1155 G HN 0.615 nan 8.290 nan 0.000 0.480 1156 V N -1.662 118.302 119.914 0.082 0.000 2.604 1156 V HA 0.795 4.922 4.120 0.012 0.000 0.305 1156 V C -0.422 175.705 176.094 0.054 0.000 1.043 1156 V CA -1.103 61.229 62.300 0.053 0.000 0.888 1156 V CB 1.413 33.255 31.823 0.032 0.000 0.995 1156 V HN 0.661 nan 8.190 nan 0.000 0.429 1157 I N 4.035 124.627 120.570 0.036 0.000 2.452 1157 I HA 0.363 4.540 4.170 0.012 0.000 0.287 1157 I C 1.213 177.337 176.117 0.012 0.000 1.079 1157 I CA 0.245 61.558 61.300 0.023 0.000 1.387 1157 I CB 1.271 39.277 38.000 0.010 0.000 1.404 1157 I HN 0.893 nan 8.210 nan 0.000 0.522 1158 K N 5.678 126.082 120.400 0.006 0.000 2.141 1158 K HA 0.109 4.437 4.320 0.012 0.000 0.202 1158 K C -0.057 176.534 176.600 -0.015 0.000 1.045 1158 K CA 1.020 57.306 56.287 -0.002 0.000 0.971 1158 K CB 0.350 32.850 32.500 0.000 0.000 0.795 1158 K HN 0.702 nan 8.250 nan 0.000 0.459 1159 Q N -0.188 119.593 119.800 -0.031 0.000 2.331 1159 Q HA 0.498 4.845 4.340 0.012 0.000 0.272 1159 Q C -1.429 174.550 176.000 -0.035 0.000 1.062 1159 Q CA -1.043 54.740 55.803 -0.034 0.000 0.806 1159 Q CB 2.403 31.115 28.738 -0.044 0.000 1.312 1159 Q HN -0.133 nan 8.270 nan 0.000 0.431 1160 V N 2.744 122.644 119.914 -0.023 0.000 2.313 1160 V HA 0.196 4.323 4.120 0.012 0.000 0.278 1160 V C 0.479 176.564 176.094 -0.014 0.000 1.017 1160 V CA -0.329 61.959 62.300 -0.019 0.000 0.823 1160 V CB 1.215 33.031 31.823 -0.012 0.000 1.010 1160 V HN 1.042 nan 8.190 nan 0.000 0.443 1161 T N 3.017 117.563 114.554 -0.015 0.000 3.118 1161 T HA 0.068 4.425 4.350 0.012 0.000 0.260 1161 T C 0.417 175.118 174.700 0.002 0.000 1.139 1161 T CA 0.724 62.821 62.100 -0.005 0.000 1.085 1161 T CB -0.033 68.833 68.868 -0.003 0.000 0.934 1161 T HN 0.636 nan 8.240 nan 0.000 0.518 1162 V N -1.079 118.835 119.914 -0.000 0.000 2.962 1162 V HA 0.794 4.921 4.120 0.012 0.000 0.313 1162 V C -1.408 174.688 176.094 0.003 0.000 1.099 1162 V CA -1.484 60.818 62.300 0.004 0.000 0.971 1162 V CB 2.241 34.067 31.823 0.005 0.000 1.028 1162 V HN -0.130 nan 8.190 nan 0.000 0.430 1163 N N 0.963 119.667 118.700 0.006 0.000 2.402 1163 N HA 0.495 5.243 4.740 0.012 0.000 0.294 1163 N C -0.960 174.555 175.510 0.008 0.000 1.203 1163 N CA -0.792 52.262 53.050 0.006 0.000 0.838 1163 N CB 0.790 39.281 38.487 0.006 0.000 1.306 1163 N HN 0.896 nan 8.380 nan 0.000 0.510 1164 N N 0.277 118.981 118.700 0.007 0.000 2.315 1164 N HA 0.257 5.004 4.740 0.012 0.000 0.270 1164 N C 1.034 176.554 175.510 0.015 0.000 1.329 1164 N CA 1.170 54.225 53.050 0.009 0.000 0.860 1164 N CB -0.029 38.463 38.487 0.007 0.000 1.095 1164 N HN 0.813 nan 8.380 nan 0.000 0.487 1165 G N 0.839 109.649 108.800 0.017 0.000 2.163 1165 G HA2 -0.238 3.729 3.960 0.012 0.000 0.213 1165 G HA3 -0.238 3.729 3.960 0.012 0.000 0.213 1165 G C -0.609 174.306 174.900 0.025 0.000 0.991 1165 G CA -0.450 44.664 45.100 0.023 0.000 0.653 1165 G HN 0.574 nan 8.290 nan 0.000 0.518 1166 D N 1.992 122.405 120.400 0.020 0.000 2.350 1166 D HA 0.484 5.131 4.640 0.012 0.000 0.249 1166 D C 1.167 177.476 176.300 0.016 0.000 1.119 1166 D CA 0.839 54.851 54.000 0.020 0.000 0.886 1166 D CB 1.136 41.947 40.800 0.018 0.000 1.195 1166 D HN 0.382 nan 8.370 nan 0.000 0.437 1167 T N -0.123 114.440 114.554 0.016 0.000 2.901 1167 T HA 0.468 4.825 4.350 0.012 0.000 0.301 1167 T C 0.694 175.401 174.700 0.012 0.000 1.012 1167 T CA -0.699 61.408 62.100 0.012 0.000 1.135 1167 T CB 0.174 69.048 68.868 0.010 0.000 0.936 1167 T HN 0.379 nan 8.240 nan 0.000 0.539 1168 I N -0.610 119.966 120.570 0.010 0.000 2.797 1168 I HA 0.923 5.100 4.170 0.012 0.000 0.307 1168 I C -0.370 175.753 176.117 0.011 0.000 1.033 1168 I CA -1.651 59.655 61.300 0.011 0.000 1.071 1168 I CB 1.866 39.871 38.000 0.010 0.000 1.255 1168 I HN 0.825 nan 8.210 nan 0.000 0.445 1169 A N 2.358 125.186 122.820 0.013 0.000 2.387 1169 A HA 0.734 5.062 4.320 0.012 0.000 0.303 1169 A C -0.230 177.362 177.584 0.013 0.000 1.145 1169 A CA -0.742 51.303 52.037 0.012 0.000 0.801 1169 A CB 1.139 20.147 19.000 0.013 0.000 1.342 1169 A HN 0.762 nan 8.150 nan 0.000 0.440 1170 T N 1.114 115.675 114.554 0.012 0.000 2.793 1170 T HA 0.431 4.788 4.350 0.012 0.000 0.289 1170 T C 1.203 175.912 174.700 0.016 0.000 0.956 1170 T CA 1.253 63.360 62.100 0.012 0.000 1.177 1170 T CB 0.126 68.999 68.868 0.010 0.000 0.897 1170 T HN 2.166 nan 8.240 nan 0.000 0.533 1171 G N 3.003 111.814 108.800 0.019 0.000 2.131 1171 G HA2 -0.189 3.778 3.960 0.012 0.000 0.223 1171 G HA3 -0.189 3.778 3.960 0.012 0.000 0.223 1171 G C -0.304 174.616 174.900 0.033 0.000 0.990 1171 G CA -0.563 44.552 45.100 0.025 0.000 0.671 1171 G HN 0.684 nan 8.290 nan 0.000 0.521 1172 D N 0.154 120.572 120.400 0.030 0.000 2.308 1172 D HA 0.442 5.089 4.640 0.012 0.000 0.251 1172 D C 0.784 177.108 176.300 0.040 0.000 1.127 1172 D CA -0.413 53.608 54.000 0.035 0.000 0.876 1172 D CB 1.447 42.263 40.800 0.026 0.000 1.176 1172 D HN 0.322 nan 8.370 nan 0.000 0.446 1173 L N 3.210 124.467 121.223 0.055 0.000 2.455 1173 L HA 0.116 4.463 4.340 0.012 0.000 0.272 1173 L C -0.066 176.815 176.870 0.018 0.000 1.174 1173 L CA 0.585 55.458 54.840 0.056 0.000 0.869 1173 L CB 0.236 42.352 42.059 0.095 0.000 1.130 1173 L HN 0.499 nan 8.230 nan 0.000 0.474 1174 L N 4.848 126.070 121.223 -0.001 0.000 2.638 1174 L HA 0.369 4.716 4.340 0.012 0.000 0.195 1174 L C -0.164 176.686 176.870 -0.033 0.000 1.065 1174 L CA -0.184 54.648 54.840 -0.013 0.000 0.859 1174 L CB 0.140 42.194 42.059 -0.009 0.000 1.269 1174 L HN 0.432 nan 8.230 nan 0.000 0.484 1175 I N 0.151 120.693 120.570 -0.047 0.000 2.647 1175 I HA 0.363 4.541 4.170 0.012 0.000 0.295 1175 I C -0.792 175.269 176.117 -0.094 0.000 1.078 1175 I CA -0.262 61.004 61.300 -0.057 0.000 1.048 1175 I CB 2.083 40.058 38.000 -0.042 0.000 1.239 1175 I HN 0.114 nan 8.210 nan 0.000 0.421 1176 E N 5.670 125.809 120.200 -0.101 0.000 2.224 1176 E HA 0.662 5.019 4.350 0.012 0.000 0.265 1176 E C -1.624 174.980 176.600 0.006 0.000 0.878 1176 E CA -0.502 55.835 56.400 -0.105 0.000 0.759 1176 E CB 2.265 31.826 29.700 -0.232 0.000 1.164 1176 E HN 0.496 nan 8.360 nan 0.000 0.414 1177 I N 3.331 123.964 120.570 0.105 0.000 2.498 1177 I HA 0.241 4.419 4.170 0.012 0.000 0.290 1177 I C 0.391 176.677 176.117 0.282 0.000 1.032 1177 I CA -0.717 60.703 61.300 0.200 0.000 1.073 1177 I CB 1.978 40.123 38.000 0.243 0.000 1.251 1177 I HN 0.475 nan 8.210 nan 0.000 0.426 1178 E N 0.000 120.283 120.200 0.139 0.000 2.725 1178 E HA 0.000 4.357 4.350 0.012 0.000 0.291 1178 E CA 0.000 56.407 56.400 0.011 0.000 0.976 1178 E CB 0.000 29.699 29.700 -0.002 0.000 0.812 1178 E HN 0.000 nan 8.360 nan 0.000 0.440