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_C 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 TSGGGGKGMR IVREESELED AFHRAKSEAE KSFGNSEVYI 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 RIYIKDENXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXTEAMKM ET 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 0.000 176.018 176.000 0.030 0.000 1.003 36 Q CA 0.000 55.821 55.803 0.029 0.000 1.022 36 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 37 I N 3.495 124.084 120.570 0.033 0.000 2.371 37 I HA 0.141 4.310 4.170 -0.002 0.000 0.290 37 I C 1.117 177.255 176.117 0.036 0.000 1.028 37 I CA -0.050 61.271 61.300 0.035 0.000 1.345 37 I CB 1.015 39.039 38.000 0.040 0.000 1.407 37 I HN -0.072 nan 8.210 nan 0.000 0.501 38 K N 5.121 125.542 120.400 0.035 0.000 2.287 38 K HA 0.272 4.591 4.320 -0.002 0.000 0.199 38 K C 0.262 176.885 176.600 0.038 0.000 1.061 38 K CA 0.566 56.873 56.287 0.033 0.000 0.976 38 K CB 0.439 32.956 32.500 0.028 0.000 0.898 38 K HN 0.469 nan 8.250 nan 0.000 0.492 39 K N 0.824 121.251 120.400 0.044 0.000 2.468 39 K HA 0.430 4.749 4.320 -0.002 0.000 0.252 39 K C -1.447 175.194 176.600 0.069 0.000 0.932 39 K CA -0.557 55.762 56.287 0.053 0.000 0.794 39 K CB 2.581 35.112 32.500 0.051 0.000 1.241 39 K HN -0.089 nan 8.250 nan 0.000 0.428 40 L N 3.731 125.007 121.223 0.089 0.000 2.365 40 L HA 0.547 4.886 4.340 -0.002 0.000 0.273 40 L C -1.527 175.441 176.870 0.162 0.000 1.000 40 L CA -1.092 53.822 54.840 0.124 0.000 0.819 40 L CB 1.496 43.644 42.059 0.148 0.000 1.284 40 L HN 0.544 nan 8.230 nan 0.000 0.418 41 L N 4.929 126.259 121.223 0.179 0.000 2.346 41 L HA 0.614 4.953 4.340 -0.002 0.000 0.276 41 L C -1.257 175.766 176.870 0.256 0.000 1.006 41 L CA -0.307 54.669 54.840 0.226 0.000 0.817 41 L CB 2.013 44.183 42.059 0.185 0.000 1.272 41 L HN 0.328 nan 8.230 nan 0.000 0.421 42 V N 5.424 125.525 119.914 0.311 0.000 2.311 42 V HA 0.491 4.610 4.120 -0.002 0.000 0.275 42 V C 0.679 176.862 176.094 0.148 0.000 1.022 42 V CA -0.282 62.127 62.300 0.182 0.000 0.830 42 V CB 1.126 32.952 31.823 0.006 0.000 1.012 42 V HN 0.935 nan 8.190 nan 0.000 0.452 43 A N 5.100 128.006 122.820 0.143 0.000 3.048 43 A HA 0.496 4.814 4.320 -0.002 0.000 0.264 43 A C 0.338 177.891 177.584 -0.052 0.000 1.796 43 A CA 0.329 52.425 52.037 0.099 0.000 1.445 43 A CB -0.808 18.274 19.000 0.136 0.000 1.074 43 A HN 0.914 nan 8.150 nan 0.000 0.621 44 N N -0.821 117.780 118.700 -0.164 0.000 3.395 44 N HA 0.532 5.271 4.740 -0.002 0.000 0.293 44 N C -0.859 174.235 175.510 -0.694 0.000 1.489 44 N CA -0.761 52.013 53.050 -0.461 0.000 0.871 44 N CB 0.921 39.208 38.487 -0.333 0.000 1.649 44 N HN 0.608 nan 8.380 nan 0.000 0.501 45 R N -0.148 119.830 120.500 -0.871 0.000 2.846 45 R HA 0.788 5.127 4.340 -0.002 0.000 0.263 45 R C 0.215 176.024 176.300 -0.818 0.000 1.080 45 R CA -0.207 55.144 56.100 -1.249 0.000 0.961 45 R CB 0.555 30.176 30.300 -1.131 0.000 1.231 45 R HN 0.729 nan 8.270 nan 0.000 0.465 46 G N 1.045 109.425 108.800 -0.700 0.000 2.575 46 G HA2 -0.444 3.515 3.960 -0.002 0.000 0.267 46 G HA3 -0.444 3.515 3.960 -0.002 0.000 0.267 46 G C 0.645 175.415 174.900 -0.217 0.000 1.264 46 G CA 0.963 45.893 45.100 -0.284 0.000 0.935 46 G HN 1.034 nan 8.290 nan 0.000 0.568 47 E N -0.489 119.646 120.200 -0.109 0.000 2.070 47 E HA -0.108 4.241 4.350 -0.002 0.000 0.197 47 E C 2.467 179.002 176.600 -0.109 0.000 1.004 47 E CA 2.339 58.706 56.400 -0.054 0.000 0.805 47 E CB -0.219 29.501 29.700 0.034 0.000 0.744 47 E HN 0.890 nan 8.360 nan 0.000 0.451 48 I N 1.023 121.485 120.570 -0.180 0.000 2.226 48 I HA -0.185 3.984 4.170 -0.002 0.000 0.245 48 I C 2.281 178.148 176.117 -0.417 0.000 1.100 48 I CA 1.537 62.671 61.300 -0.277 0.000 1.374 48 I CB -0.909 36.757 38.000 -0.557 0.000 1.057 48 I HN 0.264 nan 8.210 nan 0.000 0.413 49 A N 0.610 123.114 122.820 -0.526 0.000 1.851 49 A HA -0.234 4.084 4.320 -0.002 0.000 0.216 49 A C 2.344 179.365 177.584 -0.938 0.000 1.195 49 A CA 2.396 53.961 52.037 -0.787 0.000 0.622 49 A CB -1.226 17.320 19.000 -0.756 0.000 0.831 49 A HN 0.486 nan 8.150 nan 0.000 0.444 50 I N -0.918 119.367 120.570 -0.475 0.000 2.248 50 I HA -0.293 3.876 4.170 -0.002 0.000 0.248 50 I C 2.668 178.736 176.117 -0.082 0.000 1.107 50 I CA 1.804 63.016 61.300 -0.146 0.000 1.373 50 I CB -0.250 37.750 38.000 0.000 0.000 1.055 50 I HN 0.307 nan 8.210 nan 0.000 0.418 51 R N 1.604 122.028 120.500 -0.126 0.000 2.070 51 R HA -0.125 4.214 4.340 -0.002 0.000 0.233 51 R C 2.049 178.313 176.300 -0.060 0.000 1.137 51 R CA 1.876 57.950 56.100 -0.043 0.000 0.945 51 R CB -0.861 29.439 30.300 -0.001 0.000 0.845 51 R HN 0.306 nan 8.270 nan 0.000 0.430 52 I N -0.139 120.307 120.570 -0.207 0.000 2.208 52 I HA -0.279 3.890 4.170 -0.002 0.000 0.245 52 I C 2.110 178.261 176.117 0.058 0.000 1.097 52 I CA 1.464 62.660 61.300 -0.173 0.000 1.363 52 I CB -0.384 37.368 38.000 -0.413 0.000 1.051 52 I HN 0.122 nan 8.210 nan 0.000 0.413 53 F N 0.469 120.410 119.950 -0.015 0.000 2.095 53 F HA -0.267 4.259 4.527 -0.002 0.000 0.298 53 F C 2.899 178.713 175.800 0.024 0.000 1.104 53 F CA 0.871 58.880 58.000 0.016 0.000 1.232 53 F CB -0.339 38.675 39.000 0.023 0.000 0.987 53 F HN -0.043 nan 8.300 nan 0.000 0.475 54 R N 0.536 121.168 120.500 0.220 0.000 2.096 54 R HA -0.146 4.193 4.340 -0.002 0.000 0.235 54 R C 2.349 178.715 176.300 0.110 0.000 1.127 54 R CA 1.129 57.312 56.100 0.140 0.000 0.968 54 R CB -0.412 29.952 30.300 0.106 0.000 0.861 54 R HN 0.267 nan 8.270 nan 0.000 0.440 55 A N 0.687 123.570 122.820 0.104 0.000 1.873 55 A HA -0.102 4.217 4.320 -0.002 0.000 0.215 55 A C 2.325 179.967 177.584 0.097 0.000 1.186 55 A CA 1.620 53.712 52.037 0.092 0.000 0.616 55 A CB -0.749 18.304 19.000 0.089 0.000 0.823 55 A HN 0.467 nan 8.150 nan 0.000 0.442 56 A N 0.018 122.911 122.820 0.121 0.000 1.892 56 A HA 0.055 4.374 4.320 -0.002 0.000 0.218 56 A C 2.545 180.180 177.584 0.086 0.000 1.188 56 A CA 2.556 54.662 52.037 0.114 0.000 0.631 56 A CB -1.191 17.900 19.000 0.151 0.000 0.822 56 A HN 1.144 nan 8.150 nan 0.000 0.447 57 A N -0.364 122.508 122.820 0.086 0.000 1.883 57 A HA -0.216 4.103 4.320 -0.002 0.000 0.217 57 A C 1.878 179.494 177.584 0.052 0.000 1.186 57 A CA 1.822 53.894 52.037 0.058 0.000 0.624 57 A CB -0.680 18.354 19.000 0.057 0.000 0.822 57 A HN 0.634 nan 8.150 nan 0.000 0.444 58 E N -0.674 119.562 120.200 0.059 0.000 2.267 58 E HA -0.101 4.248 4.350 -0.002 0.000 0.197 58 E C 1.033 177.662 176.600 0.048 0.000 0.998 58 E CA 0.715 57.146 56.400 0.052 0.000 0.830 58 E CB -0.182 29.552 29.700 0.056 0.000 0.751 58 E HN 0.595 nan 8.360 nan 0.000 0.491 59 L N 0.169 121.424 121.223 0.053 0.000 2.741 59 L HA 0.083 4.422 4.340 -0.002 0.000 0.237 59 L C -0.269 176.627 176.870 0.042 0.000 1.178 59 L CA -0.119 54.749 54.840 0.048 0.000 0.973 59 L CB 0.216 42.308 42.059 0.055 0.000 1.255 59 L HN 0.029 nan 8.230 nan 0.000 0.498 60 D N 0.072 120.495 120.400 0.039 0.000 3.039 60 D HA -0.221 4.418 4.640 -0.002 0.000 0.222 60 D C 0.072 176.392 176.300 0.032 0.000 1.179 60 D CA 0.935 54.954 54.000 0.032 0.000 0.880 60 D CB -0.736 40.080 40.800 0.027 0.000 1.115 60 D HN 0.274 nan 8.370 nan 0.000 0.416 61 I N 0.311 120.906 120.570 0.041 0.000 2.395 61 I HA 0.119 4.288 4.170 -0.002 0.000 0.289 61 I C 0.933 177.072 176.117 0.037 0.000 1.023 61 I CA -0.309 61.018 61.300 0.044 0.000 1.350 61 I CB 1.526 39.562 38.000 0.060 0.000 1.409 61 I HN -0.059 nan 8.210 nan 0.000 0.507 62 S N 4.105 119.822 115.700 0.029 0.000 2.564 62 S HA 0.283 4.752 4.470 -0.002 0.000 0.278 62 S C 0.024 174.629 174.600 0.009 0.000 1.333 62 S CA -0.614 57.593 58.200 0.011 0.000 1.048 62 S CB 0.288 63.498 63.200 0.016 0.000 0.900 62 S HN 0.699 nan 8.310 nan 0.000 0.505 63 T N 1.490 116.013 114.554 -0.051 0.000 2.855 63 T HA 0.714 5.063 4.350 -0.002 0.000 0.281 63 T C -0.660 173.966 174.700 -0.124 0.000 1.007 63 T CA -0.804 61.228 62.100 -0.113 0.000 1.009 63 T CB 1.301 69.951 68.868 -0.364 0.000 0.983 63 T HN 0.361 nan 8.240 nan 0.000 0.455 64 V N 1.250 121.157 119.914 -0.013 0.000 2.588 64 V HA 0.818 4.937 4.120 -0.002 0.000 0.304 64 V C 0.002 176.217 176.094 0.203 0.000 1.042 64 V CA -1.053 61.306 62.300 0.097 0.000 0.877 64 V CB 1.396 33.340 31.823 0.202 0.000 0.996 64 V HN 1.335 nan 8.190 nan 0.000 0.425 65 A N 5.433 128.381 122.820 0.213 0.000 2.350 65 A HA 0.967 5.286 4.320 -0.002 0.000 0.324 65 A C -0.574 177.238 177.584 0.380 0.000 1.118 65 A CA -0.670 51.623 52.037 0.428 0.000 0.783 65 A CB 1.263 20.499 19.000 0.394 0.000 1.236 65 A HN 1.015 nan 8.150 nan 0.000 0.457 66 I N -0.464 120.355 120.570 0.415 0.000 2.607 66 I HA 0.915 5.084 4.170 -0.002 0.000 0.305 66 I C -0.722 175.669 176.117 0.458 0.000 0.995 66 I CA -0.987 60.500 61.300 0.312 0.000 1.148 66 I CB 1.669 39.788 38.000 0.198 0.000 1.323 66 I HN 0.768 nan 8.210 nan 0.000 0.461 67 Y N 1.950 122.327 120.300 0.129 0.000 2.597 67 Y HA 0.768 5.317 4.550 -0.002 0.000 0.340 67 Y C -0.417 175.438 175.900 -0.075 0.000 1.097 67 Y CA -0.879 57.286 58.100 0.108 0.000 1.037 67 Y CB 0.750 39.210 38.460 -0.001 0.000 1.305 67 Y HN 0.811 nan 8.280 nan 0.000 0.463 68 S N 0.304 116.055 115.700 0.085 0.000 2.748 68 S HA 0.423 4.892 4.470 -0.002 0.000 0.299 68 S C 0.005 174.691 174.600 0.144 0.000 1.119 68 S CA -0.175 58.007 58.200 -0.029 0.000 0.997 68 S CB 1.172 64.349 63.200 -0.037 0.000 1.223 68 S HN 0.837 nan 8.310 nan 0.000 0.541 69 N N 1.490 120.235 118.700 0.076 0.000 2.106 69 N HA -0.089 4.649 4.740 -0.002 0.000 0.188 69 N C 1.629 177.211 175.510 0.121 0.000 1.029 69 N CA 1.339 54.443 53.050 0.089 0.000 0.848 69 N CB -0.155 38.346 38.487 0.023 0.000 1.007 69 N HN 0.839 nan 8.380 nan 0.000 0.423 70 E N 0.094 120.377 120.200 0.137 0.000 2.489 70 E HA -0.062 4.287 4.350 -0.002 0.000 0.193 70 E C -0.075 176.633 176.600 0.179 0.000 1.057 70 E CA 0.730 57.227 56.400 0.162 0.000 0.866 70 E CB 0.277 30.095 29.700 0.197 0.000 0.916 70 E HN 0.265 nan 8.360 nan 0.000 0.500 71 D N 1.198 121.714 120.400 0.192 0.000 2.363 71 D HA 0.104 4.743 4.640 -0.002 0.000 0.214 71 D C 0.754 177.085 176.300 0.051 0.000 1.093 71 D CA 0.001 54.095 54.000 0.156 0.000 0.837 71 D CB 0.280 41.224 40.800 0.239 0.000 0.948 71 D HN 0.108 nan 8.370 nan 0.000 0.507 72 K N -0.033 120.405 120.400 0.063 0.000 2.585 72 K HA -0.049 4.270 4.320 -0.002 0.000 0.194 72 K C 1.422 177.960 176.600 -0.104 0.000 1.037 72 K CA 0.645 56.871 56.287 -0.101 0.000 0.964 72 K CB 0.162 32.690 32.500 0.046 0.000 0.787 72 K HN 0.122 nan 8.250 nan 0.000 0.488 73 S N -1.479 114.205 115.700 -0.026 0.000 2.665 73 S HA 0.009 4.478 4.470 -0.002 0.000 0.240 73 S C 0.859 175.495 174.600 0.060 0.000 1.081 73 S CA -0.444 57.809 58.200 0.089 0.000 0.887 73 S CB 0.232 63.533 63.200 0.170 0.000 0.805 73 S HN 0.077 nan 8.310 nan 0.000 0.486 74 S N 1.405 117.123 115.700 0.029 0.000 2.593 74 S HA 0.132 4.601 4.470 -0.002 0.000 0.300 74 S C 1.034 175.521 174.600 -0.188 0.000 1.267 74 S CA -0.276 57.955 58.200 0.051 0.000 1.065 74 S CB -0.153 63.125 63.200 0.130 0.000 0.807 74 S HN 0.494 nan 8.310 nan 0.000 0.499 75 L N 4.774 125.883 121.223 -0.190 0.000 2.275 75 L HA -0.095 4.244 4.340 -0.002 0.000 0.215 75 L C 2.510 179.288 176.870 -0.153 0.000 1.119 75 L CA 1.305 56.000 54.840 -0.242 0.000 0.790 75 L CB -0.523 41.307 42.059 -0.381 0.000 0.919 75 L HN 0.893 nan 8.230 nan 0.000 0.443 76 H N -0.107 118.882 119.070 -0.136 0.000 2.489 76 H HA -0.211 4.344 4.556 -0.002 0.000 0.293 76 H C 2.066 177.434 175.328 0.066 0.000 1.066 76 H CA 1.174 57.223 56.048 0.003 0.000 1.305 76 H CB -0.323 29.403 29.762 -0.060 0.000 1.386 76 H HN 0.338 nan 8.280 nan 0.000 0.551 77 R N 0.466 120.439 120.500 -0.878 0.000 2.120 77 R HA -0.144 4.195 4.340 -0.002 0.000 0.234 77 R C 1.033 177.030 176.300 -0.505 0.000 1.123 77 R CA 1.520 57.116 56.100 -0.840 0.000 0.975 77 R CB -0.198 29.362 30.300 -1.233 0.000 0.866 77 R HN 0.450 nan 8.270 nan 0.000 0.446 78 Y N -1.074 119.111 120.300 -0.191 0.000 2.457 78 Y HA 0.196 4.745 4.550 -0.001 0.000 0.263 78 Y C 1.581 177.417 175.900 -0.106 0.000 1.164 78 Y CA -0.342 57.666 58.100 -0.152 0.000 1.274 78 Y CB 0.663 39.035 38.460 -0.147 0.000 1.097 78 Y HN -0.168 nan 8.280 nan 0.000 0.523 79 K N 0.477 120.910 120.400 0.055 0.000 2.374 79 K HA 0.333 4.652 4.320 -0.002 0.000 0.196 79 K C 0.369 176.869 176.600 -0.167 0.000 1.023 79 K CA 0.088 56.414 56.287 0.065 0.000 1.103 79 K CB 0.498 33.145 32.500 0.245 0.000 0.848 79 K HN 0.131 nan 8.250 nan 0.000 0.528 80 A N 0.876 123.462 122.820 -0.391 0.000 2.299 80 A HA 0.310 4.629 4.320 -0.002 0.000 0.332 80 A C 0.336 177.740 177.584 -0.301 0.000 1.131 80 A CA -0.589 51.054 52.037 -0.658 0.000 0.844 80 A CB 0.818 19.215 19.000 -1.004 0.000 1.251 80 A HN -0.045 nan 8.150 nan 0.000 0.486 81 D N 0.261 120.513 120.400 -0.246 0.000 2.117 81 D HA -0.041 4.598 4.640 -0.002 0.000 0.197 81 D C 0.109 176.339 176.300 -0.115 0.000 0.987 81 D CA 1.517 55.438 54.000 -0.131 0.000 0.829 81 D CB 0.206 40.955 40.800 -0.084 0.000 0.961 81 D HN 0.707 nan 8.370 nan 0.000 0.460 82 E N -0.500 119.626 120.200 -0.123 0.000 2.266 82 E HA 0.471 4.820 4.350 -0.002 0.000 0.268 82 E C -0.841 175.659 176.600 -0.166 0.000 0.879 82 E CA -0.662 55.652 56.400 -0.143 0.000 0.762 82 E CB 2.337 32.030 29.700 -0.011 0.000 1.199 82 E HN -0.067 nan 8.360 nan 0.000 0.422 83 S N 1.560 117.079 115.700 -0.301 0.000 2.614 83 S HA 0.561 5.030 4.470 -0.002 0.000 0.288 83 S C -1.367 173.133 174.600 -0.167 0.000 1.137 83 S CA -0.780 57.361 58.200 -0.097 0.000 0.992 83 S CB 0.427 63.610 63.200 -0.028 0.000 1.026 83 S HN 0.427 nan 8.310 nan 0.000 0.486 84 Y N 1.692 122.093 120.300 0.169 0.000 2.409 84 Y HA 0.583 5.132 4.550 -0.002 0.000 0.343 84 Y C -0.204 175.376 175.900 -0.532 0.000 0.973 84 Y CA -1.191 56.880 58.100 -0.048 0.000 1.064 84 Y CB 1.534 39.968 38.460 -0.044 0.000 1.207 84 Y HN 0.761 nan 8.280 nan 0.000 0.452 85 L N 4.590 125.456 121.223 -0.595 0.000 2.367 85 L HA 0.386 4.725 4.340 -0.002 0.000 0.275 85 L C -0.155 176.495 176.870 -0.368 0.000 1.129 85 L CA -0.471 53.854 54.840 -0.858 0.000 0.839 85 L CB 0.687 42.438 42.059 -0.513 0.000 1.133 85 L HN 0.506 nan 8.230 nan 0.000 0.453 86 V N 3.602 123.302 119.914 -0.357 0.000 2.229 86 V HA 0.591 4.710 4.120 -0.002 0.000 0.245 86 V C 0.846 176.833 176.094 -0.179 0.000 1.243 86 V CA -0.226 61.940 62.300 -0.223 0.000 1.176 86 V CB -1.067 30.613 31.823 -0.238 0.000 1.323 86 V HN 1.187 nan 8.190 nan 0.000 0.499 87 G N 3.293 112.016 108.800 -0.129 0.000 3.265 87 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.488 87 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.488 87 G C 0.689 175.537 174.900 -0.087 0.000 0.742 87 G CA 0.364 45.410 45.100 -0.090 0.000 0.841 87 G HN 1.365 nan 8.290 nan 0.000 0.457 88 S N 1.195 116.860 115.700 -0.059 0.000 2.393 88 S HA -0.286 4.183 4.470 -0.002 0.000 0.235 88 S C 2.027 176.600 174.600 -0.045 0.000 1.061 88 S CA 2.273 60.449 58.200 -0.041 0.000 1.129 88 S CB -0.326 62.862 63.200 -0.021 0.000 1.011 88 S HN 0.916 nan 8.310 nan 0.000 0.436 89 D N 0.449 120.824 120.400 -0.041 0.000 2.160 89 D HA -0.164 4.474 4.640 -0.002 0.000 0.189 89 D C 0.430 176.699 176.300 -0.052 0.000 1.003 89 D CA 0.969 54.945 54.000 -0.039 0.000 0.846 89 D CB -0.404 40.376 40.800 -0.033 0.000 0.949 89 D HN 0.331 nan 8.370 nan 0.000 0.446 90 L N 0.841 122.023 121.223 -0.068 0.000 2.559 90 L HA 0.092 4.431 4.340 -0.002 0.000 0.274 90 L C 1.596 178.409 176.870 -0.095 0.000 1.205 90 L CA 0.600 55.390 54.840 -0.083 0.000 0.907 90 L CB 0.585 42.579 42.059 -0.108 0.000 1.153 90 L HN -0.013 nan 8.230 nan 0.000 0.490 91 G N 5.230 113.975 108.800 -0.092 0.000 2.679 91 G HA2 0.142 4.101 3.960 -0.002 0.000 0.158 91 G HA3 0.142 4.101 3.960 -0.002 0.000 0.158 91 G C -1.772 173.045 174.900 -0.139 0.000 1.702 91 G CA 0.495 45.525 45.100 -0.117 0.000 1.041 91 G HN 0.608 nan 8.290 nan 0.000 0.507 92 P HA 0.193 nan 4.420 nan 0.000 0.207 92 P C 1.866 179.107 177.300 -0.098 0.000 1.169 92 P CA 1.984 64.961 63.100 -0.204 0.000 0.900 92 P CB -0.010 31.351 31.700 -0.565 0.000 0.747 93 A N 0.694 123.435 122.820 -0.131 0.000 1.898 93 A HA -0.150 4.169 4.320 -0.002 0.000 0.214 93 A C 2.172 179.825 177.584 0.115 0.000 1.183 93 A CA 1.703 53.749 52.037 0.015 0.000 0.622 93 A CB -1.531 17.478 19.000 0.015 0.000 0.824 93 A HN 0.407 nan 8.150 nan 0.000 0.444 94 E N 0.853 121.070 120.200 0.028 0.000 2.267 94 E HA -0.179 4.170 4.350 -0.002 0.000 0.197 94 E C 1.611 178.192 176.600 -0.031 0.000 0.998 94 E CA 1.649 58.061 56.400 0.019 0.000 0.830 94 E CB -0.474 29.222 29.700 -0.006 0.000 0.751 94 E HN 0.586 nan 8.360 nan 0.000 0.491 95 S N -0.483 115.148 115.700 -0.115 0.000 2.522 95 S HA -0.063 4.406 4.470 -0.002 0.000 0.227 95 S C 1.110 175.459 174.600 -0.418 0.000 0.986 95 S CA 0.326 58.367 58.200 -0.264 0.000 0.929 95 S CB -0.424 62.574 63.200 -0.337 0.000 0.769 95 S HN 0.428 nan 8.310 nan 0.000 0.529 96 Y N 0.388 120.596 120.300 -0.153 0.000 2.457 96 Y HA 0.421 4.970 4.550 -0.002 0.000 0.263 96 Y C 1.793 177.562 175.900 -0.219 0.000 1.164 96 Y CA -0.282 57.614 58.100 -0.341 0.000 1.274 96 Y CB 0.223 38.131 38.460 -0.921 0.000 1.097 96 Y HN 0.212 nan 8.280 nan 0.000 0.523 97 L N -0.469 120.767 121.223 0.021 0.000 2.425 97 L HA 0.052 4.391 4.340 -0.002 0.000 0.215 97 L C 0.369 177.225 176.870 -0.023 0.000 1.065 97 L CA 0.550 55.413 54.840 0.037 0.000 0.842 97 L CB -0.446 41.675 42.059 0.103 0.000 1.033 97 L HN 0.211 nan 8.230 nan 0.000 0.474 98 N N 0.971 119.651 118.700 -0.034 0.000 2.399 98 N HA -0.066 4.673 4.740 -0.002 0.000 0.284 98 N C 1.145 176.661 175.510 0.011 0.000 1.283 98 N CA -0.343 52.698 53.050 -0.015 0.000 0.972 98 N CB 0.567 39.034 38.487 -0.034 0.000 1.328 98 N HN 0.070 nan 8.380 nan 0.000 0.486 99 I N 2.800 123.411 120.570 0.067 0.000 2.163 99 I HA -0.279 3.890 4.170 -0.002 0.000 0.243 99 I C 2.257 178.492 176.117 0.196 0.000 1.085 99 I CA 1.157 62.584 61.300 0.212 0.000 1.347 99 I CB -0.143 38.017 38.000 0.266 0.000 1.044 99 I HN 0.561 nan 8.210 nan 0.000 0.408 100 E N 0.326 120.589 120.200 0.106 0.000 2.017 100 E HA -0.228 4.121 4.350 -0.002 0.000 0.193 100 E C 2.380 179.011 176.600 0.051 0.000 0.997 100 E CA 1.119 57.561 56.400 0.071 0.000 0.804 100 E CB -0.430 29.295 29.700 0.040 0.000 0.757 100 E HN 0.236 nan 8.360 nan 0.000 0.448 101 R N 0.749 121.264 120.500 0.025 0.000 2.105 101 R HA -0.026 4.313 4.340 -0.002 0.000 0.239 101 R C 2.349 178.650 176.300 0.002 0.000 1.135 101 R CA 0.857 56.954 56.100 -0.005 0.000 0.967 101 R CB -0.529 29.751 30.300 -0.034 0.000 0.861 101 R HN 0.188 nan 8.270 nan 0.000 0.442 102 I N -0.510 120.086 120.570 0.043 0.000 2.353 102 I HA -0.221 3.948 4.170 -0.002 0.000 0.248 102 I C 1.858 178.047 176.117 0.119 0.000 1.119 102 I CA 1.093 62.442 61.300 0.083 0.000 1.417 102 I CB -0.111 37.964 38.000 0.126 0.000 1.078 102 I HN 0.146 nan 8.210 nan 0.000 0.421 103 I N 0.473 121.128 120.570 0.142 0.000 2.353 103 I HA -0.254 3.915 4.170 -0.002 0.000 0.248 103 I C 1.888 178.018 176.117 0.021 0.000 1.119 103 I CA 1.145 62.499 61.300 0.090 0.000 1.417 103 I CB -0.398 37.649 38.000 0.079 0.000 1.078 103 I HN 0.169 nan 8.210 nan 0.000 0.421 104 D N 0.592 120.995 120.400 0.006 0.000 2.133 104 D HA -0.168 4.470 4.640 -0.002 0.000 0.195 104 D C 2.311 178.566 176.300 -0.075 0.000 0.997 104 D CA 1.185 55.167 54.000 -0.030 0.000 0.840 104 D CB -0.305 40.478 40.800 -0.029 0.000 0.947 104 D HN 0.098 nan 8.370 nan 0.000 0.452 105 V N 0.902 120.761 119.914 -0.091 0.000 2.295 105 V HA -0.233 3.886 4.120 -0.002 0.000 0.246 105 V C 2.441 178.415 176.094 -0.199 0.000 1.049 105 V CA 1.768 63.949 62.300 -0.198 0.000 1.024 105 V CB -0.834 30.895 31.823 -0.157 0.000 0.648 105 V HN 0.228 nan 8.190 nan 0.000 0.447 106 A N -0.378 122.398 122.820 -0.074 0.000 1.978 106 A HA -0.257 4.062 4.320 -0.002 0.000 0.220 106 A C 2.294 179.847 177.584 -0.052 0.000 1.170 106 A CA 2.052 54.069 52.037 -0.033 0.000 0.636 106 A CB -0.390 18.628 19.000 0.030 0.000 0.810 106 A HN 0.578 nan 8.150 nan 0.000 0.448 107 K N -1.232 119.133 120.400 -0.058 0.000 2.007 107 K HA -0.100 4.218 4.320 -0.002 0.000 0.206 107 K C 2.079 178.636 176.600 -0.072 0.000 1.047 107 K CA 1.300 57.557 56.287 -0.050 0.000 0.937 107 K CB -0.188 32.289 32.500 -0.039 0.000 0.718 107 K HN 0.295 nan 8.250 nan 0.000 0.438 108 Q N -0.036 119.695 119.800 -0.116 0.000 2.515 108 Q HA -0.074 4.265 4.340 -0.002 0.000 0.215 108 Q C 1.109 177.024 176.000 -0.142 0.000 0.983 108 Q CA 1.096 56.818 55.803 -0.135 0.000 0.905 108 Q CB 0.084 28.706 28.738 -0.193 0.000 0.961 108 Q HN 0.368 nan 8.270 nan 0.000 0.503 109 A N -0.786 121.952 122.820 -0.137 0.000 2.390 109 A HA 0.165 4.484 4.320 -0.002 0.000 0.225 109 A C -0.296 177.286 177.584 -0.004 0.000 1.232 109 A CA -0.271 51.731 52.037 -0.059 0.000 0.964 109 A CB 0.372 19.326 19.000 -0.078 0.000 1.064 109 A HN 0.323 nan 8.150 nan 0.000 0.525 110 N N 0.014 118.705 118.700 -0.016 0.000 2.610 110 N HA -0.117 4.622 4.740 -0.002 0.000 0.271 110 N C -0.596 174.923 175.510 0.015 0.000 1.146 110 N CA 0.944 53.994 53.050 0.001 0.000 0.711 110 N CB -1.597 36.895 38.487 0.009 0.000 0.883 110 N HN 0.224 nan 8.380 nan 0.000 0.548 111 V N 1.173 121.095 119.914 0.014 0.000 2.427 111 V HA 0.188 4.307 4.120 -0.002 0.000 0.286 111 V C 1.401 177.512 176.094 0.029 0.000 1.034 111 V CA -0.555 61.765 62.300 0.033 0.000 0.893 111 V CB 1.817 33.668 31.823 0.047 0.000 0.982 111 V HN 0.329 nan 8.190 nan 0.000 0.452 112 D N 3.090 123.511 120.400 0.034 0.000 2.271 112 D HA 0.189 4.827 4.640 -0.002 0.000 0.206 112 D C 0.612 176.931 176.300 0.031 0.000 0.967 112 D CA 0.831 54.848 54.000 0.028 0.000 0.867 112 D CB 0.763 41.580 40.800 0.029 0.000 0.960 112 D HN 0.583 nan 8.370 nan 0.000 0.509 113 A N 0.551 123.397 122.820 0.043 0.000 2.488 113 A HA 0.609 4.927 4.320 -0.002 0.000 0.298 113 A C -1.151 176.470 177.584 0.062 0.000 1.044 113 A CA -0.630 51.430 52.037 0.039 0.000 0.693 113 A CB 1.520 20.538 19.000 0.030 0.000 1.272 113 A HN 0.023 nan 8.150 nan 0.000 0.402 114 I N 2.691 123.288 120.570 0.045 0.000 2.378 114 I HA 0.288 4.457 4.170 -0.002 0.000 0.291 114 I C -0.502 175.618 176.117 0.004 0.000 0.992 114 I CA -0.589 60.766 61.300 0.092 0.000 1.154 114 I CB 1.588 39.691 38.000 0.172 0.000 1.315 114 I HN 0.711 nan 8.210 nan 0.000 0.448 115 H N 8.786 127.845 119.070 -0.017 0.000 2.594 115 H HA 0.309 4.864 4.556 -0.002 0.000 0.304 115 H C -2.021 173.271 175.328 -0.061 0.000 1.068 115 H CA -2.403 53.589 56.048 -0.095 0.000 1.308 115 H CB 1.768 31.494 29.762 -0.061 0.000 1.409 115 H HN 0.325 nan 8.280 nan 0.000 0.460 116 P HA 0.068 nan 4.420 nan 0.000 0.249 116 P C 0.889 178.290 177.300 0.168 0.000 1.229 116 P CA 1.018 64.243 63.100 0.209 0.000 0.788 116 P CB 0.663 32.497 31.700 0.223 0.000 1.072 117 G N 1.063 109.989 108.800 0.210 0.000 2.583 117 G HA2 -0.252 3.706 3.960 -0.002 0.000 0.292 117 G HA3 -0.252 3.706 3.960 -0.002 0.000 0.292 117 G C -0.592 174.346 174.900 0.063 0.000 1.203 117 G CA 0.590 45.642 45.100 -0.081 0.000 0.987 117 G HN 0.485 nan 8.290 nan 0.000 0.554 118 Y N -2.062 118.264 120.300 0.043 0.000 2.545 118 Y HA 0.597 5.146 4.550 -0.002 0.000 0.348 118 Y C 0.837 176.746 175.900 0.015 0.000 1.002 118 Y CA -1.118 57.009 58.100 0.044 0.000 1.039 118 Y CB 1.474 39.939 38.460 0.010 0.000 1.271 118 Y HN 2.447 nan 8.280 nan 0.000 0.467 119 G N 0.533 109.464 108.800 0.219 0.000 2.198 119 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.257 119 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.257 119 G C -0.785 173.887 174.900 -0.380 0.000 1.042 119 G CA 0.914 46.001 45.100 -0.023 0.000 0.791 119 G HN 0.693 nan 8.290 nan 0.000 0.502 120 F N -1.920 118.081 119.950 0.086 0.000 1.974 120 F HA 0.426 4.952 4.527 -0.002 0.000 0.217 120 F C 1.818 177.645 175.800 0.046 0.000 1.278 120 F CA 0.036 58.068 58.000 0.054 0.000 1.241 120 F CB -0.277 38.722 39.000 -0.001 0.000 1.985 120 F HN -0.066 nan 8.300 nan 0.000 0.120 121 L N 1.067 122.427 121.223 0.228 0.000 2.611 121 L HA 0.106 4.445 4.340 -0.002 0.000 0.229 121 L C 1.943 178.993 176.870 0.300 0.000 1.137 121 L CA 0.594 55.487 54.840 0.089 0.000 0.901 121 L CB -0.472 41.309 42.059 -0.462 0.000 1.098 121 L HN 0.413 nan 8.230 nan 0.000 0.456 122 S N -0.497 115.385 115.700 0.304 0.000 2.419 122 S HA -0.193 4.276 4.470 -0.002 0.000 0.235 122 S C 1.516 176.353 174.600 0.394 0.000 1.019 122 S CA 1.170 59.588 58.200 0.364 0.000 0.982 122 S CB -0.094 63.268 63.200 0.269 0.000 0.789 122 S HN 0.569 nan 8.310 nan 0.000 0.490 123 E N 0.698 121.071 120.200 0.288 0.000 2.489 123 E HA 0.197 4.546 4.350 -0.002 0.000 0.204 123 E C -0.078 176.642 176.600 0.200 0.000 1.006 123 E CA -0.388 56.155 56.400 0.238 0.000 0.936 123 E CB 0.111 29.910 29.700 0.165 0.000 1.002 123 E HN 0.421 nan 8.360 nan 0.000 0.488 124 N N 2.019 120.851 118.700 0.221 0.000 2.452 124 N HA -0.083 4.656 4.740 -0.002 0.000 0.266 124 N C 0.800 176.374 175.510 0.106 0.000 1.209 124 N CA 0.355 53.510 53.050 0.175 0.000 0.929 124 N CB 1.335 39.945 38.487 0.205 0.000 1.063 124 N HN 0.081 nan 8.380 nan 0.000 0.472 125 E N 3.686 123.919 120.200 0.055 0.000 2.028 125 E HA -0.177 4.172 4.350 -0.002 0.000 0.191 125 E C 1.227 177.808 176.600 -0.031 0.000 0.988 125 E CA 1.583 57.973 56.400 -0.017 0.000 0.799 125 E CB 0.003 29.703 29.700 -0.000 0.000 0.755 125 E HN 0.604 nan 8.360 nan 0.000 0.447 126 Q N -0.389 119.430 119.800 0.031 0.000 2.096 126 Q HA -0.194 4.145 4.340 -0.002 0.000 0.204 126 Q C 2.229 178.265 176.000 0.060 0.000 0.982 126 Q CA 1.543 57.368 55.803 0.038 0.000 0.850 126 Q CB -0.589 28.189 28.738 0.067 0.000 0.901 126 Q HN 0.389 nan 8.270 nan 0.000 0.422 127 F N 1.551 121.480 119.950 -0.035 0.000 2.126 127 F HA -0.169 4.357 4.527 -0.002 0.000 0.299 127 F C 2.256 178.006 175.800 -0.083 0.000 1.096 127 F CA 1.377 59.373 58.000 -0.008 0.000 1.255 127 F CB -0.419 38.625 39.000 0.073 0.000 0.997 127 F HN 0.032 nan 8.300 nan 0.000 0.479 128 A N 0.318 122.895 122.820 -0.406 0.000 1.930 128 A HA -0.151 4.168 4.320 -0.002 0.000 0.217 128 A C 2.394 179.717 177.584 -0.435 0.000 1.175 128 A CA 1.492 53.041 52.037 -0.814 0.000 0.627 128 A CB -0.794 17.419 19.000 -1.313 0.000 0.815 128 A HN 0.468 nan 8.150 nan 0.000 0.443 129 R N -0.887 119.450 120.500 -0.272 0.000 2.092 129 R HA -0.080 4.259 4.340 -0.002 0.000 0.231 129 R C 2.194 178.409 176.300 -0.140 0.000 1.119 129 R CA 0.965 56.964 56.100 -0.169 0.000 0.970 129 R CB -0.155 30.077 30.300 -0.113 0.000 0.864 129 R HN 0.284 nan 8.270 nan 0.000 0.440 130 R N 0.231 120.646 120.500 -0.142 0.000 2.092 130 R HA -0.090 4.248 4.340 -0.002 0.000 0.231 130 R C 2.326 178.540 176.300 -0.143 0.000 1.119 130 R CA 1.252 57.288 56.100 -0.108 0.000 0.970 130 R CB -1.087 29.180 30.300 -0.055 0.000 0.864 130 R HN 0.350 nan 8.270 nan 0.000 0.440 131 C N 0.446 119.597 119.300 -0.249 0.000 2.398 131 C HA -0.144 4.315 4.460 -0.002 0.000 0.276 131 C C 2.922 177.851 174.990 -0.102 0.000 1.222 131 C CA 0.980 59.876 59.018 -0.203 0.000 1.746 131 C CB -1.145 26.452 27.740 -0.238 0.000 2.039 131 C HN 0.562 nan 8.230 nan 0.000 0.470 132 A N 0.433 123.194 122.820 -0.099 0.000 1.877 132 A HA -0.210 4.109 4.320 -0.002 0.000 0.216 132 A C 1.959 179.509 177.584 -0.056 0.000 1.186 132 A CA 1.725 53.723 52.037 -0.064 0.000 0.620 132 A CB -0.690 18.265 19.000 -0.074 0.000 0.822 132 A HN 0.715 nan 8.150 nan 0.000 0.443 133 E N -0.073 120.090 120.200 -0.063 0.000 2.273 133 E HA -0.162 4.187 4.350 -0.002 0.000 0.198 133 E C 0.647 177.225 176.600 -0.038 0.000 1.002 133 E CA 1.108 57.479 56.400 -0.048 0.000 0.828 133 E CB -0.010 29.662 29.700 -0.046 0.000 0.747 133 E HN 0.609 nan 8.360 nan 0.000 0.491 134 E N -0.648 119.529 120.200 -0.040 0.000 2.558 134 E HA 0.125 4.474 4.350 -0.002 0.000 0.205 134 E C 0.636 177.222 176.600 -0.023 0.000 1.006 134 E CA 0.249 56.632 56.400 -0.029 0.000 0.961 134 E CB 1.077 30.760 29.700 -0.029 0.000 1.044 134 E HN 0.272 nan 8.360 nan 0.000 0.465 135 G N 2.048 110.834 108.800 -0.024 0.000 2.221 135 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.265 135 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.265 135 G C 0.130 175.025 174.900 -0.009 0.000 1.041 135 G CA 0.269 45.359 45.100 -0.015 0.000 0.807 135 G HN 0.292 nan 8.290 nan 0.000 0.502 136 I N -0.646 119.916 120.570 -0.013 0.000 2.433 136 I HA 0.403 4.572 4.170 -0.002 0.000 0.292 136 I C 0.217 176.341 176.117 0.012 0.000 1.001 136 I CA -1.210 60.089 61.300 -0.002 0.000 1.119 136 I CB 1.946 39.940 38.000 -0.011 0.000 1.289 136 I HN -0.034 nan 8.210 nan 0.000 0.438 137 K N 6.217 126.633 120.400 0.026 0.000 2.273 137 K HA 0.229 4.548 4.320 -0.002 0.000 0.287 137 K C -0.783 175.854 176.600 0.061 0.000 1.089 137 K CA -0.190 56.123 56.287 0.044 0.000 0.909 137 K CB 0.131 32.648 32.500 0.028 0.000 1.123 137 K HN 0.356 nan 8.250 nan 0.000 0.473 138 F N 6.041 125.954 119.950 -0.062 0.000 2.502 138 F HA 0.230 4.756 4.527 -0.002 0.000 0.371 138 F C -0.081 175.691 175.800 -0.047 0.000 1.083 138 F CA -0.277 57.685 58.000 -0.063 0.000 1.174 138 F CB 0.239 39.188 39.000 -0.086 0.000 1.096 138 F HN 0.454 nan 8.300 nan 0.000 0.545 139 I N 7.581 127.816 120.570 -0.559 0.000 2.293 139 I HA 0.413 4.582 4.170 -0.002 0.000 0.299 139 I C 0.661 176.396 176.117 -0.636 0.000 1.153 139 I CA 0.402 61.400 61.300 -0.502 0.000 1.302 139 I CB -0.726 36.962 38.000 -0.520 0.000 1.460 139 I HN 0.837 nan 8.210 nan 0.000 0.552 140 G N 7.386 116.018 108.800 -0.280 0.000 2.344 140 G HA2 0.205 4.164 3.960 -0.002 0.000 0.282 140 G HA3 0.205 4.164 3.960 -0.002 0.000 0.282 140 G C -3.245 171.683 174.900 0.047 0.000 1.281 140 G CA -0.682 44.367 45.100 -0.086 0.000 0.877 140 G HN 0.223 nan 8.290 nan 0.000 0.494 141 P HA 0.291 nan 4.420 nan 0.000 0.275 141 P C -0.448 176.929 177.300 0.129 0.000 1.266 141 P CA -0.222 62.779 63.100 -0.165 0.000 0.793 141 P CB 0.360 31.843 31.700 -0.362 0.000 1.074 142 H N -0.703 118.495 119.070 0.214 0.000 2.730 142 H HA 0.093 4.648 4.556 -0.002 0.000 0.376 142 H C 1.736 177.063 175.328 -0.002 0.000 1.299 142 H CA -0.116 55.974 56.048 0.071 0.000 1.447 142 H CB -0.136 29.595 29.762 -0.052 0.000 1.493 142 H HN 0.277 nan 8.280 nan 0.000 0.619 143 L N 0.141 121.391 121.223 0.046 0.000 2.046 143 L HA -0.156 4.183 4.340 -0.002 0.000 0.208 143 L C 2.402 179.234 176.870 -0.064 0.000 1.077 143 L CA 1.502 56.311 54.840 -0.052 0.000 0.747 143 L CB -0.440 41.560 42.059 -0.098 0.000 0.896 143 L HN 0.664 nan 8.230 nan 0.000 0.432 144 E N -0.198 119.923 120.200 -0.131 0.000 2.265 144 E HA -0.250 4.099 4.350 -0.002 0.000 0.196 144 E C 1.759 178.247 176.600 -0.186 0.000 0.996 144 E CA 1.285 57.577 56.400 -0.180 0.000 0.832 144 E CB -0.513 29.051 29.700 -0.226 0.000 0.756 144 E HN 0.593 nan 8.360 nan 0.000 0.491 145 H N 1.011 120.078 119.070 -0.005 0.000 2.357 145 H HA 0.053 4.607 4.556 -0.002 0.000 0.301 145 H C 2.413 177.778 175.328 0.062 0.000 1.082 145 H CA 1.272 57.331 56.048 0.019 0.000 1.342 145 H CB -0.104 29.750 29.762 0.152 0.000 1.389 145 H HN 0.188 nan 8.280 nan 0.000 0.511 146 L N 0.378 121.716 121.223 0.192 0.000 2.109 146 L HA -0.122 4.217 4.340 -0.002 0.000 0.207 146 L C 2.475 179.393 176.870 0.080 0.000 1.086 146 L CA 1.137 56.074 54.840 0.161 0.000 0.760 146 L CB -0.325 41.787 42.059 0.089 0.000 0.910 146 L HN 0.152 nan 8.230 nan 0.000 0.437 147 D N 0.413 120.818 120.400 0.008 0.000 2.123 147 D HA -0.271 4.368 4.640 -0.002 0.000 0.196 147 D C 2.205 178.475 176.300 -0.051 0.000 0.992 147 D CA 1.577 55.561 54.000 -0.027 0.000 0.833 147 D CB 0.093 40.857 40.800 -0.061 0.000 0.954 147 D HN 0.289 nan 8.370 nan 0.000 0.455 148 M N -1.329 118.195 119.600 -0.128 0.000 2.288 148 M HA -0.059 4.420 4.480 -0.002 0.000 0.266 148 M C 1.009 177.147 176.300 -0.271 0.000 1.072 148 M CA 1.162 56.287 55.300 -0.292 0.000 1.132 148 M CB 0.039 32.323 32.600 -0.526 0.000 1.386 148 M HN -0.058 nan 8.290 nan 0.000 0.432 149 F N -1.495 118.519 119.950 0.107 0.000 2.682 149 F HA 0.317 4.843 4.527 -0.002 0.000 0.308 149 F C 1.735 177.576 175.800 0.068 0.000 1.093 149 F CA -0.415 57.646 58.000 0.102 0.000 1.244 149 F CB 0.344 39.425 39.000 0.135 0.000 1.052 149 F HN 0.168 nan 8.300 nan 0.000 0.573 150 G N -0.036 108.877 108.800 0.188 0.000 3.279 150 G HA2 -0.022 3.937 3.960 -0.002 0.000 0.230 150 G HA3 -0.022 3.937 3.960 -0.002 0.000 0.230 150 G C -0.445 174.493 174.900 0.064 0.000 1.230 150 G CA 0.344 45.513 45.100 0.115 0.000 0.891 150 G HN 0.246 nan 8.290 nan 0.000 0.518 151 D N -0.654 119.790 120.400 0.073 0.000 2.614 151 D HA 0.066 4.705 4.640 -0.002 0.000 0.203 151 D C 0.748 177.067 176.300 0.032 0.000 1.312 151 D CA -0.513 53.502 54.000 0.025 0.000 0.889 151 D CB 0.972 41.775 40.800 0.005 0.000 1.615 151 D HN -0.046 nan 8.370 nan 0.000 0.567 152 K N 1.221 121.619 120.400 -0.003 0.000 2.152 152 K HA -0.067 4.251 4.320 -0.002 0.000 0.206 152 K C 1.851 178.387 176.600 -0.106 0.000 1.048 152 K CA 1.037 57.324 56.287 -0.001 0.000 0.933 152 K CB 0.358 32.906 32.500 0.081 0.000 0.721 152 K HN 0.237 nan 8.250 nan 0.000 0.447 153 V N 1.462 121.219 119.914 -0.261 0.000 2.307 153 V HA -0.234 3.885 4.120 -0.002 0.000 0.245 153 V C 2.289 178.343 176.094 -0.066 0.000 1.045 153 V CA 1.646 63.793 62.300 -0.255 0.000 1.024 153 V CB -0.316 31.338 31.823 -0.281 0.000 0.651 153 V HN 0.291 nan 8.190 nan 0.000 0.449 154 K N -0.115 120.268 120.400 -0.028 0.000 2.148 154 K HA -0.103 4.216 4.320 -0.002 0.000 0.204 154 K C 2.174 178.818 176.600 0.073 0.000 1.050 154 K CA 1.198 57.487 56.287 0.004 0.000 0.942 154 K CB -0.245 32.246 32.500 -0.013 0.000 0.724 154 K HN 0.441 nan 8.250 nan 0.000 0.446 155 A N 1.453 124.385 122.820 0.187 0.000 1.858 155 A HA -0.163 4.156 4.320 -0.002 0.000 0.216 155 A C 2.042 179.832 177.584 0.342 0.000 1.190 155 A CA 1.360 53.658 52.037 0.435 0.000 0.617 155 A CB -0.436 18.856 19.000 0.488 0.000 0.827 155 A HN 0.270 nan 8.150 nan 0.000 0.443 156 R N -0.902 119.764 120.500 0.277 0.000 2.115 156 R HA -0.080 4.259 4.340 -0.002 0.000 0.230 156 R C 2.175 178.519 176.300 0.074 0.000 1.111 156 R CA 1.714 57.955 56.100 0.234 0.000 0.976 156 R CB -0.648 29.769 30.300 0.195 0.000 0.870 156 R HN 0.587 nan 8.270 nan 0.000 0.445 157 T N 0.021 114.603 114.554 0.045 0.000 2.821 157 T HA -0.089 4.260 4.350 -0.002 0.000 0.267 157 T C 1.792 176.486 174.700 -0.011 0.000 1.046 157 T CA 1.644 63.749 62.100 0.009 0.000 1.139 157 T CB -0.194 68.671 68.868 -0.005 0.000 0.871 157 T HN 0.271 nan 8.240 nan 0.000 0.454 158 T N 1.874 116.426 114.554 -0.003 0.000 2.904 158 T HA 0.092 4.441 4.350 -0.002 0.000 0.267 158 T C 2.442 177.106 174.700 -0.061 0.000 1.059 158 T CA 0.943 63.032 62.100 -0.020 0.000 1.137 158 T CB -0.423 68.439 68.868 -0.010 0.000 0.879 158 T HN 0.439 nan 8.240 nan 0.000 0.467 159 A N 1.241 123.956 122.820 -0.174 0.000 1.930 159 A HA 0.036 4.355 4.320 -0.002 0.000 0.217 159 A C 2.221 179.703 177.584 -0.169 0.000 1.175 159 A CA 1.036 52.845 52.037 -0.380 0.000 0.627 159 A CB -0.684 17.769 19.000 -0.911 0.000 0.815 159 A HN 0.523 nan 8.150 nan 0.000 0.443 160 I N -0.717 119.803 120.570 -0.083 0.000 2.394 160 I HA -0.196 3.972 4.170 -0.002 0.000 0.251 160 I C 2.421 178.522 176.117 -0.025 0.000 1.136 160 I CA 1.636 62.918 61.300 -0.030 0.000 1.425 160 I CB -0.119 37.882 38.000 0.001 0.000 1.079 160 I HN 0.231 nan 8.210 nan 0.000 0.425 161 K N 1.978 122.361 120.400 -0.029 0.000 2.097 161 K HA -0.028 4.290 4.320 -0.002 0.000 0.205 161 K C 1.772 178.362 176.600 -0.017 0.000 1.050 161 K CA 1.552 57.828 56.287 -0.020 0.000 0.938 161 K CB -0.218 32.270 32.500 -0.020 0.000 0.718 161 K HN 0.239 nan 8.250 nan 0.000 0.442 162 A N 0.433 123.236 122.820 -0.027 0.000 2.278 162 A HA 0.106 4.425 4.320 -0.002 0.000 0.212 162 A C -0.123 177.453 177.584 -0.013 0.000 1.213 162 A CA 0.682 52.709 52.037 -0.016 0.000 0.840 162 A CB -0.507 18.484 19.000 -0.016 0.000 0.866 162 A HN 0.517 nan 8.150 nan 0.000 0.489 163 D N -1.605 118.784 120.400 -0.017 0.000 2.746 163 D HA -0.134 4.505 4.640 -0.002 0.000 0.241 163 D C -0.917 175.383 176.300 0.000 0.000 1.140 163 D CA 0.586 54.581 54.000 -0.009 0.000 0.707 163 D CB -1.557 39.241 40.800 -0.004 0.000 1.034 163 D HN 0.230 nan 8.370 nan 0.000 0.423 164 L N 1.472 122.691 121.223 -0.007 0.000 2.334 164 L HA 0.582 4.921 4.340 -0.002 0.000 0.276 164 L C -1.676 175.221 176.870 0.045 0.000 1.014 164 L CA -1.685 53.181 54.840 0.044 0.000 0.815 164 L CB 1.484 43.563 42.059 0.033 0.000 1.268 164 L HN -0.026 nan 8.230 nan 0.000 0.428 165 P HA 0.131 nan 4.420 nan 0.000 0.266 165 P C -0.956 176.457 177.300 0.190 0.000 1.215 165 P CA 0.025 63.103 63.100 -0.037 0.000 0.763 165 P CB 0.762 32.219 31.700 -0.406 0.000 0.806 166 V N 5.149 125.213 119.914 0.250 0.000 2.769 166 V HA 0.292 4.411 4.120 -0.002 0.000 0.312 166 V C 0.764 177.061 176.094 0.338 0.000 1.061 166 V CA -1.102 61.402 62.300 0.341 0.000 0.931 166 V CB 1.814 33.785 31.823 0.247 0.000 1.010 166 V HN 0.340 nan 8.190 nan 0.000 0.433 167 I N 5.596 126.312 120.570 0.244 0.000 2.752 167 I HA 0.066 4.235 4.170 -0.002 0.000 0.289 167 I C -1.028 175.119 176.117 0.049 0.000 1.197 167 I CA -0.422 60.883 61.300 0.008 0.000 1.432 167 I CB -0.129 37.830 38.000 -0.068 0.000 1.359 167 I HN 0.539 nan 8.210 nan 0.000 0.571 168 P HA -0.235 nan 4.420 nan 0.000 0.223 168 P C 0.647 177.968 177.300 0.035 0.000 0.816 168 P CA 1.755 64.861 63.100 0.009 0.000 1.074 168 P CB -0.504 31.170 31.700 -0.042 0.000 0.700 169 G N -2.539 106.270 108.800 0.014 0.000 2.915 169 G HA2 -0.168 3.791 3.960 -0.002 0.000 0.337 169 G HA3 -0.168 3.791 3.960 -0.002 0.000 0.337 169 G C -0.201 174.754 174.900 0.091 0.000 1.477 169 G CA -0.021 45.120 45.100 0.070 0.000 0.916 169 G HN 0.473 nan 8.290 nan 0.000 0.550 170 T N 0.532 115.184 114.554 0.163 0.000 2.828 170 T HA 0.378 4.727 4.350 -0.002 0.000 0.290 170 T C 1.403 176.208 174.700 0.176 0.000 1.019 170 T CA 0.285 62.517 62.100 0.219 0.000 1.031 170 T CB 0.908 69.942 68.868 0.276 0.000 1.001 170 T HN 0.551 nan 8.240 nan 0.000 0.531 171 D N 0.595 121.104 120.400 0.181 0.000 2.178 171 D HA 0.045 4.683 4.640 -0.002 0.000 0.202 171 D C 1.125 177.455 176.300 0.050 0.000 0.974 171 D CA 0.912 54.971 54.000 0.098 0.000 0.841 171 D CB 0.189 41.038 40.800 0.083 0.000 0.953 171 D HN 0.655 nan 8.370 nan 0.000 0.478 172 G N 0.225 109.065 108.800 0.067 0.000 2.911 172 G HA2 0.440 4.399 3.960 -0.002 0.000 0.299 172 G HA3 0.440 4.399 3.960 -0.002 0.000 0.299 172 G C -2.906 172.039 174.900 0.076 0.000 1.283 172 G CA -0.788 44.329 45.100 0.028 0.000 0.805 172 G HN -0.208 nan 8.290 nan 0.000 0.548 173 P HA 0.429 nan 4.420 nan 0.000 0.273 173 P C -0.259 177.145 177.300 0.173 0.000 1.531 173 P CA -0.637 62.552 63.100 0.149 0.000 1.027 173 P CB 0.654 32.415 31.700 0.102 0.000 1.387 174 I N 2.935 123.637 120.570 0.221 0.000 3.089 174 I HA -0.190 3.978 4.170 -0.002 0.000 0.321 174 I C 1.082 177.334 176.117 0.225 0.000 1.222 174 I CA 1.328 62.747 61.300 0.198 0.000 1.452 174 I CB -0.119 38.014 38.000 0.221 0.000 1.321 174 I HN 0.149 nan 8.210 nan 0.000 0.539 175 K N 5.520 125.992 120.400 0.119 0.000 2.234 175 K HA 0.488 4.807 4.320 -0.002 0.000 0.277 175 K C 0.445 177.060 176.600 0.024 0.000 1.038 175 K CA -0.287 56.075 56.287 0.124 0.000 0.888 175 K CB 1.294 33.838 32.500 0.074 0.000 1.091 175 K HN 0.748 nan 8.250 nan 0.000 0.467 176 S N 1.280 117.028 115.700 0.081 0.000 3.443 176 S HA -0.312 4.157 4.470 -0.002 0.000 0.635 176 S C 0.397 174.569 174.600 -0.713 0.000 2.555 176 S CA 1.069 59.193 58.200 -0.127 0.000 2.778 176 S CB -0.689 62.515 63.200 0.006 0.000 0.331 176 S HN 0.794 nan 8.310 nan 0.000 1.765 177 Y N 0.865 120.817 120.300 -0.579 0.000 2.500 177 Y HA 0.327 4.876 4.550 -0.002 0.000 0.284 177 Y C 2.144 177.856 175.900 -0.314 0.000 1.118 177 Y CA 1.286 59.015 58.100 -0.618 0.000 1.241 177 Y CB -0.436 37.830 38.460 -0.324 0.000 1.171 177 Y HN 0.725 nan 8.280 nan 0.000 0.540 178 E N 1.263 121.215 120.200 -0.414 0.000 2.051 178 E HA -0.218 4.131 4.350 -0.002 0.000 0.192 178 E C 2.032 178.429 176.600 -0.338 0.000 0.991 178 E CA 1.814 57.959 56.400 -0.426 0.000 0.799 178 E CB -0.622 28.970 29.700 -0.180 0.000 0.748 178 E HN 0.619 nan 8.360 nan 0.000 0.449 179 L N -0.465 120.613 121.223 -0.241 0.000 2.191 179 L HA -0.116 4.223 4.340 -0.002 0.000 0.212 179 L C 2.170 178.956 176.870 -0.140 0.000 1.103 179 L CA 1.140 55.883 54.840 -0.163 0.000 0.769 179 L CB -0.285 41.703 42.059 -0.117 0.000 0.908 179 L HN 0.290 nan 8.230 nan 0.000 0.438 180 A N -0.450 122.230 122.820 -0.233 0.000 1.872 180 A HA -0.196 4.123 4.320 -0.002 0.000 0.214 180 A C 2.237 179.704 177.584 -0.195 0.000 1.187 180 A CA 1.386 53.318 52.037 -0.176 0.000 0.614 180 A CB -0.324 18.537 19.000 -0.232 0.000 0.826 180 A HN 0.294 nan 8.150 nan 0.000 0.442 181 K N -0.157 120.029 120.400 -0.357 0.000 2.052 181 K HA -0.265 4.054 4.320 -0.002 0.000 0.215 181 K C 2.012 178.511 176.600 -0.168 0.000 1.053 181 K CA 2.269 58.371 56.287 -0.309 0.000 0.934 181 K CB -0.277 31.966 32.500 -0.429 0.000 0.717 181 K HN 0.690 nan 8.250 nan 0.000 0.450 182 E N -0.291 119.839 120.200 -0.117 0.000 2.028 182 E HA -0.133 4.216 4.350 -0.002 0.000 0.190 182 E C 1.198 177.835 176.600 0.061 0.000 0.984 182 E CA 0.593 56.974 56.400 -0.031 0.000 0.800 182 E CB -0.113 29.575 29.700 -0.021 0.000 0.758 182 E HN 0.133 nan 8.360 nan 0.000 0.448 183 F N -0.025 119.856 119.950 -0.117 0.000 2.778 183 F HA 0.244 4.770 4.527 -0.002 0.000 0.295 183 F C 0.597 176.336 175.800 -0.102 0.000 1.262 183 F CA -0.005 57.941 58.000 -0.089 0.000 1.429 183 F CB -0.202 38.758 39.000 -0.067 0.000 1.072 183 F HN -0.036 nan 8.300 nan 0.000 0.514 184 A N -0.661 122.079 122.820 -0.132 0.000 2.642 184 A HA 0.089 4.408 4.320 -0.002 0.000 0.164 184 A C 1.561 178.967 177.584 -0.297 0.000 1.594 184 A CA 0.351 52.245 52.037 -0.238 0.000 1.137 184 A CB -0.315 18.554 19.000 -0.217 0.000 1.353 184 A HN 0.339 nan 8.150 nan 0.000 0.450 185 E N 0.821 120.897 120.200 -0.206 0.000 2.299 185 E HA 0.041 4.390 4.350 -0.002 0.000 0.193 185 E C 1.061 177.598 176.600 -0.106 0.000 0.998 185 E CA 1.612 57.909 56.400 -0.173 0.000 0.851 185 E CB -0.121 29.524 29.700 -0.092 0.000 0.795 185 E HN 0.586 nan 8.360 nan 0.000 0.492 186 E N -0.230 119.911 120.200 -0.098 0.000 2.526 186 E HA 0.321 4.670 4.350 -0.002 0.000 0.208 186 E C -0.383 176.157 176.600 -0.101 0.000 0.997 186 E CA 0.204 56.566 56.400 -0.065 0.000 0.961 186 E CB 1.205 30.892 29.700 -0.022 0.000 1.030 186 E HN 0.285 nan 8.360 nan 0.000 0.483 187 A N 1.276 123.997 122.820 -0.166 0.000 3.165 187 A HA 0.620 4.939 4.320 -0.002 0.000 0.331 187 A C 0.569 178.066 177.584 -0.145 0.000 1.034 187 A CA 0.056 51.980 52.037 -0.187 0.000 0.906 187 A CB -0.244 18.558 19.000 -0.329 0.000 1.054 187 A HN 0.192 nan 8.150 nan 0.000 0.484 188 G N -0.202 108.554 108.800 -0.074 0.000 2.697 188 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.240 188 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.240 188 G C 0.221 175.125 174.900 0.007 0.000 1.346 188 G CA 0.680 45.775 45.100 -0.007 0.000 0.887 188 G HN 1.078 nan 8.290 nan 0.000 0.569 189 F N 0.262 120.204 119.950 -0.014 0.000 2.083 189 F HA 0.320 4.846 4.527 -0.002 0.000 0.259 189 F C -1.665 174.134 175.800 -0.002 0.000 0.953 189 F CA 0.312 58.307 58.000 -0.008 0.000 1.156 189 F CB 0.615 39.612 39.000 -0.005 0.000 1.297 189 F HN 0.332 nan 8.300 nan 0.000 0.733 190 P HA 0.072 nan 4.420 nan 0.000 0.257 190 P C -1.249 176.154 177.300 0.172 0.000 1.227 190 P CA 1.226 64.443 63.100 0.196 0.000 0.981 190 P CB 0.086 31.899 31.700 0.188 0.000 1.044 191 L N 2.857 124.153 121.223 0.123 0.000 2.354 191 L HA 0.649 4.988 4.340 -0.002 0.000 0.264 191 L C -0.014 176.898 176.870 0.069 0.000 1.008 191 L CA -1.122 53.766 54.840 0.080 0.000 0.819 191 L CB 2.140 44.198 42.059 -0.002 0.000 1.339 191 L HN 0.168 nan 8.230 nan 0.000 0.420 192 M N 4.064 123.705 119.600 0.068 0.000 2.114 192 M HA 0.450 4.929 4.480 -0.002 0.000 0.332 192 M C -1.253 174.998 176.300 -0.082 0.000 1.014 192 M CA -0.188 55.128 55.300 0.026 0.000 0.956 192 M CB 1.020 33.666 32.600 0.076 0.000 1.551 192 M HN 0.414 nan 8.290 nan 0.000 0.427 193 I N 6.758 127.282 120.570 -0.075 0.000 2.331 193 I HA 0.530 4.699 4.170 -0.002 0.000 0.292 193 I C -1.205 174.809 176.117 -0.171 0.000 0.998 193 I CA -0.098 61.136 61.300 -0.109 0.000 1.267 193 I CB 0.497 38.493 38.000 -0.007 0.000 1.386 193 I HN 0.948 nan 8.210 nan 0.000 0.476 194 K N 6.269 126.489 120.400 -0.300 0.000 2.536 194 K HA 0.806 5.125 4.320 -0.002 0.000 0.269 194 K C -1.440 175.053 176.600 -0.177 0.000 0.965 194 K CA -0.919 55.205 56.287 -0.272 0.000 0.860 194 K CB 1.559 33.852 32.500 -0.344 0.000 1.423 194 K HN 0.477 nan 8.250 nan 0.000 0.438 195 A N 1.018 123.834 122.820 -0.006 0.000 2.351 195 A HA 0.397 4.716 4.320 -0.002 0.000 0.257 195 A C -0.314 177.383 177.584 0.188 0.000 1.087 195 A CA -0.409 51.693 52.037 0.108 0.000 0.798 195 A CB 0.054 19.160 19.000 0.177 0.000 1.033 195 A HN 0.658 nan 8.150 nan 0.000 0.488 196 T N 1.862 116.525 114.554 0.181 0.000 2.729 196 T HA 0.476 4.825 4.350 -0.002 0.000 0.296 196 T C 0.126 174.807 174.700 -0.030 0.000 0.928 196 T CA 0.516 62.693 62.100 0.128 0.000 1.045 196 T CB 0.097 69.005 68.868 0.066 0.000 0.902 196 T HN 2.143 nan 8.240 nan 0.000 0.500 197 S N 1.419 117.087 115.700 -0.053 0.000 3.388 197 S HA -0.056 4.413 4.470 -0.002 0.000 0.569 197 S C 0.486 174.808 174.600 -0.462 0.000 0.676 197 S CA -0.174 57.926 58.200 -0.166 0.000 1.373 197 S CB -1.543 61.585 63.200 -0.121 0.000 1.106 197 S HN 1.351 nan 8.310 nan 0.000 0.833 198 G N 1.876 110.434 108.800 -0.403 0.000 2.630 198 G HA2 0.869 4.828 3.960 -0.002 0.000 0.223 198 G HA3 0.869 4.828 3.960 -0.002 0.000 0.223 198 G C 0.650 175.259 174.900 -0.484 0.000 1.434 198 G CA -0.539 44.203 45.100 -0.596 0.000 1.057 198 G HN 2.379 nan 8.290 nan 0.000 0.570 199 G N -2.929 105.887 108.800 0.026 0.000 3.487 199 G HA2 0.516 4.474 3.960 -0.002 0.000 0.235 199 G HA3 0.516 4.474 3.960 -0.002 0.000 0.235 199 G C 0.338 175.406 174.900 0.278 0.000 3.868 199 G CA 0.775 45.982 45.100 0.179 0.000 0.522 199 G HN 2.118 nan 8.290 nan 0.000 0.295 200 G N -0.861 108.047 108.800 0.180 0.000 2.559 200 G HA2 0.428 4.387 3.960 -0.002 0.000 0.202 200 G HA3 0.428 4.387 3.960 -0.002 0.000 0.202 200 G C 1.527 176.494 174.900 0.112 0.000 0.992 200 G CA 1.429 46.596 45.100 0.112 0.000 0.764 200 G HN 2.301 nan 8.290 nan 0.000 0.525 201 G N -0.288 108.610 108.800 0.163 0.000 2.179 201 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.260 201 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.260 201 G C 0.416 175.428 174.900 0.187 0.000 0.977 201 G CA 0.990 46.193 45.100 0.172 0.000 0.641 201 G HN 0.766 nan 8.290 nan 0.000 0.533 202 K N 0.294 120.790 120.400 0.160 0.000 2.118 202 K HA 0.558 4.877 4.320 -0.002 0.000 0.264 202 K C 1.143 177.816 176.600 0.122 0.000 1.000 202 K CA 0.239 56.564 56.287 0.062 0.000 0.929 202 K CB 1.024 33.459 32.500 -0.107 0.000 1.021 202 K HN 1.394 nan 8.250 nan 0.000 0.463 203 G N 1.455 110.286 108.800 0.053 0.000 2.212 203 G HA2 -0.241 3.718 3.960 -0.002 0.000 0.255 203 G HA3 -0.241 3.718 3.960 -0.002 0.000 0.255 203 G C -0.266 174.673 174.900 0.065 0.000 1.062 203 G CA -0.021 45.125 45.100 0.078 0.000 0.815 203 G HN 0.430 nan 8.290 nan 0.000 0.497 204 M N -0.943 118.688 119.600 0.051 0.000 2.378 204 M HA 0.634 5.113 4.480 -0.002 0.000 0.289 204 M C 0.020 176.350 176.300 0.050 0.000 1.136 204 M CA -0.642 54.657 55.300 -0.003 0.000 0.917 204 M CB 2.536 35.071 32.600 -0.108 0.000 1.669 204 M HN 0.176 nan 8.290 nan 0.000 0.461 205 R N 1.979 122.487 120.500 0.013 0.000 2.698 205 R HA 0.717 5.056 4.340 -0.002 0.000 0.275 205 R C -1.308 174.998 176.300 0.010 0.000 1.001 205 R CA -0.880 55.244 56.100 0.040 0.000 0.896 205 R CB 2.910 33.220 30.300 0.017 0.000 1.218 205 R HN 0.827 nan 8.270 nan 0.000 0.462 206 I N -0.725 119.839 120.570 -0.010 0.000 2.392 206 I HA 0.568 4.737 4.170 -0.002 0.000 0.295 206 I C -0.625 175.442 176.117 -0.084 0.000 0.985 206 I CA -0.840 60.391 61.300 -0.116 0.000 1.221 206 I CB 1.728 39.529 38.000 -0.332 0.000 1.366 206 I HN 0.102 nan 8.210 nan 0.000 0.467 207 V N 6.630 126.515 119.914 -0.049 0.000 2.448 207 V HA 0.531 4.649 4.120 -0.002 0.000 0.295 207 V C 0.548 176.704 176.094 0.103 0.000 1.025 207 V CA -0.516 61.818 62.300 0.057 0.000 0.859 207 V CB 1.182 33.074 31.823 0.115 0.000 0.988 207 V HN 0.897 nan 8.190 nan 0.000 0.431 208 R N 2.309 122.862 120.500 0.088 0.000 2.350 208 R HA 0.428 4.767 4.340 -0.002 0.000 0.199 208 R C 0.370 176.528 176.300 -0.237 0.000 0.876 208 R CA -0.196 55.900 56.100 -0.006 0.000 1.062 208 R CB 1.348 31.596 30.300 -0.085 0.000 1.263 208 R HN 0.723 nan 8.270 nan 0.000 0.641 209 E N 1.000 121.029 120.200 -0.285 0.000 2.445 209 E HA 0.188 4.537 4.350 -0.002 0.000 0.273 209 E C -1.487 174.907 176.600 -0.343 0.000 0.961 209 E CA -0.660 55.365 56.400 -0.624 0.000 0.807 209 E CB 2.356 31.865 29.700 -0.319 0.000 1.362 209 E HN -0.056 nan 8.360 nan 0.000 0.453 210 E N 0.123 120.145 120.200 -0.296 0.000 2.384 210 E HA 0.039 4.388 4.350 -0.002 0.000 0.266 210 E C -0.021 176.641 176.600 0.102 0.000 1.012 210 E CA 1.317 57.779 56.400 0.102 0.000 0.901 210 E CB 0.387 30.128 29.700 0.069 0.000 0.967 210 E HN 0.694 nan 8.360 nan 0.000 0.435 211 S N 2.141 117.944 115.700 0.172 0.000 2.000 211 S HA -0.304 4.165 4.470 -0.002 0.000 0.243 211 S C 0.976 175.641 174.600 0.108 0.000 1.092 211 S CA 1.306 59.579 58.200 0.122 0.000 1.426 211 S CB -1.634 61.609 63.200 0.071 0.000 1.779 211 S HN 0.735 nan 8.310 nan 0.000 0.565 212 E N 0.860 121.128 120.200 0.113 0.000 2.274 212 E HA 0.096 4.445 4.350 -0.002 0.000 0.194 212 E C 1.905 178.584 176.600 0.132 0.000 0.996 212 E CA 1.086 57.544 56.400 0.096 0.000 0.840 212 E CB -0.203 29.539 29.700 0.070 0.000 0.772 212 E HN 0.583 nan 8.360 nan 0.000 0.491 213 L N 1.734 123.074 121.223 0.194 0.000 2.042 213 L HA -0.211 4.128 4.340 -0.002 0.000 0.210 213 L C 2.200 179.189 176.870 0.198 0.000 1.076 213 L CA 1.914 56.873 54.840 0.197 0.000 0.749 213 L CB -0.327 41.851 42.059 0.198 0.000 0.893 213 L HN 0.055 nan 8.230 nan 0.000 0.432 214 E N -0.635 119.668 120.200 0.173 0.000 2.051 214 E HA -0.263 4.086 4.350 -0.002 0.000 0.192 214 E C 1.667 178.279 176.600 0.020 0.000 0.991 214 E CA 1.777 58.165 56.400 -0.019 0.000 0.799 214 E CB -0.041 29.580 29.700 -0.131 0.000 0.748 214 E HN 0.640 nan 8.360 nan 0.000 0.449 215 D N 0.274 120.716 120.400 0.070 0.000 2.117 215 D HA -0.118 4.521 4.640 -0.002 0.000 0.198 215 D C 1.841 178.204 176.300 0.105 0.000 0.982 215 D CA 1.391 55.447 54.000 0.094 0.000 0.828 215 D CB -0.286 40.548 40.800 0.056 0.000 0.967 215 D HN 0.284 nan 8.370 nan 0.000 0.464 216 A N 0.522 123.399 122.820 0.094 0.000 1.873 216 A HA -0.236 4.083 4.320 -0.002 0.000 0.218 216 A C 2.106 179.734 177.584 0.072 0.000 1.193 216 A CA 1.444 53.528 52.037 0.078 0.000 0.629 216 A CB -1.265 17.786 19.000 0.085 0.000 0.826 216 A HN 0.296 nan 8.150 nan 0.000 0.447 217 F N 0.393 120.300 119.950 -0.071 0.000 2.065 217 F HA -0.275 4.250 4.527 -0.002 0.000 0.298 217 F C 2.602 178.307 175.800 -0.158 0.000 1.112 217 F CA 2.479 60.393 58.000 -0.144 0.000 1.212 217 F CB -0.269 38.598 39.000 -0.221 0.000 0.975 217 F HN 0.399 nan 8.300 nan 0.000 0.476 218 H N -0.176 118.996 119.070 0.169 0.000 2.333 218 H HA 0.011 4.566 4.556 -0.002 0.000 0.302 218 H C 2.486 177.797 175.328 -0.028 0.000 1.075 218 H CA 1.266 57.349 56.048 0.057 0.000 1.348 218 H CB -0.479 29.333 29.762 0.083 0.000 1.393 218 H HN 0.195 nan 8.280 nan 0.000 0.509 219 R N 0.720 121.282 120.500 0.104 0.000 2.117 219 R HA -0.062 4.277 4.340 -0.002 0.000 0.243 219 R C 2.109 178.402 176.300 -0.012 0.000 1.143 219 R CA 1.165 57.287 56.100 0.037 0.000 0.968 219 R CB -0.396 29.922 30.300 0.031 0.000 0.863 219 R HN 0.296 nan 8.270 nan 0.000 0.444 220 A N 0.225 123.016 122.820 -0.049 0.000 2.195 220 A HA 0.009 4.328 4.320 -0.002 0.000 0.210 220 A C 2.023 179.532 177.584 -0.126 0.000 1.165 220 A CA 0.286 52.278 52.037 -0.075 0.000 0.806 220 A CB 0.032 18.989 19.000 -0.071 0.000 0.847 220 A HN 0.144 nan 8.150 nan 0.000 0.482 221 K N 0.710 120.992 120.400 -0.197 0.000 2.031 221 K HA -0.113 4.206 4.320 -0.002 0.000 0.205 221 K C 2.231 178.778 176.600 -0.088 0.000 1.049 221 K CA 1.670 57.822 56.287 -0.226 0.000 0.939 221 K CB -0.094 32.184 32.500 -0.370 0.000 0.717 221 K HN 0.563 nan 8.250 nan 0.000 0.438 222 S N 0.478 116.150 115.700 -0.047 0.000 2.387 222 S HA -0.136 4.333 4.470 -0.002 0.000 0.226 222 S C 1.912 176.490 174.600 -0.037 0.000 1.026 222 S CA 0.971 59.157 58.200 -0.022 0.000 0.972 222 S CB -0.228 62.970 63.200 -0.004 0.000 0.814 222 S HN 0.380 nan 8.310 nan 0.000 0.477 223 E N 1.648 121.821 120.200 -0.046 0.000 2.160 223 E HA -0.124 4.225 4.350 -0.002 0.000 0.195 223 E C 2.052 178.598 176.600 -0.091 0.000 0.991 223 E CA 1.033 57.394 56.400 -0.064 0.000 0.810 223 E CB -0.322 29.346 29.700 -0.053 0.000 0.742 223 E HN 0.688 nan 8.360 nan 0.000 0.466 224 A N 0.610 123.399 122.820 -0.051 0.000 1.930 224 A HA -0.135 4.184 4.320 -0.002 0.000 0.215 224 A C 1.939 179.534 177.584 0.019 0.000 1.176 224 A CA 1.323 53.362 52.037 0.003 0.000 0.632 224 A CB -0.306 18.745 19.000 0.085 0.000 0.819 224 A HN 0.237 nan 8.150 nan 0.000 0.445 225 E N 0.765 120.967 120.200 0.004 0.000 2.007 225 E HA -0.181 4.168 4.350 -0.002 0.000 0.194 225 E C 1.783 178.378 176.600 -0.009 0.000 0.999 225 E CA 1.962 58.374 56.400 0.019 0.000 0.811 225 E CB -0.311 29.397 29.700 0.012 0.000 0.762 225 E HN 0.529 nan 8.360 nan 0.000 0.450 226 K N -0.158 120.217 120.400 -0.041 0.000 2.281 226 K HA -0.080 4.238 4.320 -0.002 0.000 0.203 226 K C 2.295 178.831 176.600 -0.107 0.000 1.046 226 K CA 1.084 57.337 56.287 -0.056 0.000 0.938 226 K CB -0.142 32.324 32.500 -0.057 0.000 0.737 226 K HN 0.004 nan 8.250 nan 0.000 0.458 227 S N -0.390 115.191 115.700 -0.198 0.000 2.324 227 S HA 0.138 4.607 4.470 -0.002 0.000 0.210 227 S C 0.646 175.017 174.600 -0.380 0.000 1.027 227 S CA 0.315 58.271 58.200 -0.407 0.000 0.945 227 S CB 0.065 62.824 63.200 -0.734 0.000 0.908 227 S HN 0.084 nan 8.310 nan 0.000 0.496 228 F N 0.039 119.996 119.950 0.012 0.000 2.266 228 F HA 0.466 4.992 4.527 -0.002 0.000 0.306 228 F C 2.152 177.969 175.800 0.027 0.000 1.016 228 F CA -0.368 57.644 58.000 0.021 0.000 1.127 228 F CB -0.415 38.601 39.000 0.025 0.000 1.735 228 F HN 0.252 nan 8.300 nan 0.000 0.540 229 G N -0.306 108.662 108.800 0.280 0.000 2.433 229 G HA2 -0.127 3.832 3.960 -0.002 0.000 0.216 229 G HA3 -0.127 3.832 3.960 -0.002 0.000 0.216 229 G C 0.284 175.260 174.900 0.127 0.000 1.186 229 G CA 0.892 46.086 45.100 0.158 0.000 0.779 229 G HN 0.667 nan 8.290 nan 0.000 0.543 230 N N -1.918 116.867 118.700 0.141 0.000 3.369 230 N HA 0.342 5.081 4.740 -0.002 0.000 0.362 230 N C -0.294 175.284 175.510 0.112 0.000 1.523 230 N CA 0.206 53.319 53.050 0.104 0.000 0.684 230 N CB 1.018 39.554 38.487 0.082 0.000 1.796 230 N HN 0.156 nan 8.380 nan 0.000 0.641 231 S N -1.940 113.809 115.700 0.082 0.000 3.025 231 S HA 0.176 4.645 4.470 -0.002 0.000 0.251 231 S C -0.741 173.883 174.600 0.040 0.000 0.954 231 S CA -0.652 57.581 58.200 0.056 0.000 1.092 231 S CB -0.426 62.787 63.200 0.023 0.000 1.079 231 S HN 0.486 nan 8.310 nan 0.000 0.543 232 E N 2.486 122.729 120.200 0.071 0.000 2.292 232 E HA 0.282 4.631 4.350 -0.002 0.000 0.265 232 E C 0.015 176.680 176.600 0.110 0.000 1.093 232 E CA -0.194 56.259 56.400 0.088 0.000 0.922 232 E CB 0.944 30.696 29.700 0.085 0.000 1.001 232 E HN 0.536 nan 8.360 nan 0.000 0.444 233 V N 1.645 121.618 119.914 0.098 0.000 2.667 233 V HA 0.655 4.774 4.120 -0.002 0.000 0.308 233 V C -0.579 175.673 176.094 0.263 0.000 1.048 233 V CA -0.899 61.466 62.300 0.108 0.000 0.928 233 V CB 0.662 32.413 31.823 -0.119 0.000 1.004 233 V HN 0.597 nan 8.190 nan 0.000 0.444 234 Y N 2.444 122.784 120.300 0.068 0.000 2.693 234 Y HA 0.882 5.430 4.550 -0.002 0.000 0.331 234 Y C -0.848 175.102 175.900 0.083 0.000 1.092 234 Y CA -1.636 56.519 58.100 0.093 0.000 1.131 234 Y CB 2.122 40.627 38.460 0.074 0.000 1.318 234 Y HN 0.758 nan 8.280 nan 0.000 0.510 235 I N 1.314 121.937 120.570 0.087 0.000 2.619 235 I HA 0.376 4.545 4.170 -0.002 0.000 0.292 235 I C -1.469 174.650 176.117 0.004 0.000 1.100 235 I CA -0.533 60.744 61.300 -0.040 0.000 1.043 235 I CB 2.003 40.018 38.000 0.024 0.000 1.239 235 I HN 1.000 nan 8.210 nan 0.000 0.420 236 E N 5.574 125.732 120.200 -0.070 0.000 2.445 236 E HA 0.471 4.820 4.350 -0.002 0.000 0.273 236 E C -0.990 175.584 176.600 -0.043 0.000 0.961 236 E CA -1.250 55.134 56.400 -0.026 0.000 0.807 236 E CB 1.111 30.818 29.700 0.011 0.000 1.362 236 E HN 0.456 nan 8.360 nan 0.000 0.453 237 R N 0.928 121.392 120.500 -0.061 0.000 2.502 237 R HA 0.009 4.348 4.340 -0.002 0.000 0.292 237 R C -1.238 175.037 176.300 -0.042 0.000 0.998 237 R CA -0.013 56.051 56.100 -0.061 0.000 1.056 237 R CB -0.130 30.096 30.300 -0.125 0.000 0.939 237 R HN 0.602 nan 8.270 nan 0.000 0.411 238 Y N 5.766 126.018 120.300 -0.081 0.000 2.465 238 Y HA 0.242 4.790 4.550 -0.002 0.000 0.331 238 Y C -0.389 175.469 175.900 -0.070 0.000 1.102 238 Y CA -0.193 57.870 58.100 -0.061 0.000 1.358 238 Y CB 0.421 38.873 38.460 -0.014 0.000 1.213 238 Y HN 0.532 nan 8.280 nan 0.000 0.525 239 I N 6.525 126.694 120.570 -0.668 0.000 2.312 239 I HA 0.165 4.334 4.170 -0.002 0.000 0.290 239 I C -0.216 175.497 176.117 -0.674 0.000 1.008 239 I CA -0.598 60.397 61.300 -0.509 0.000 1.226 239 I CB 1.054 38.828 38.000 -0.377 0.000 1.371 239 I HN 0.603 nan 8.210 nan 0.000 0.468 240 D N 5.079 125.291 120.400 -0.314 0.000 2.339 240 D HA 0.080 4.719 4.640 -0.002 0.000 0.245 240 D C 0.560 176.839 176.300 -0.034 0.000 1.115 240 D CA 0.184 54.126 54.000 -0.096 0.000 0.917 240 D CB 0.534 41.402 40.800 0.114 0.000 1.192 240 D HN 0.456 nan 8.370 nan 0.000 0.428 241 N N 1.312 120.042 118.700 0.049 0.000 2.698 241 N HA -0.134 4.605 4.740 -0.002 0.000 0.258 241 N C -2.443 173.103 175.510 0.060 0.000 0.978 241 N CA 0.223 53.320 53.050 0.079 0.000 0.777 241 N CB -0.569 37.969 38.487 0.086 0.000 0.907 241 N HN 0.380 nan 8.380 nan 0.000 0.543 242 P HA 0.287 nan 4.420 nan 0.000 0.283 242 P C -0.212 177.151 177.300 0.105 0.000 1.271 242 P CA -0.324 62.813 63.100 0.061 0.000 0.841 242 P CB 1.329 33.047 31.700 0.030 0.000 1.122 243 K N 0.039 120.499 120.400 0.100 0.000 2.110 243 K HA 0.309 4.628 4.320 -0.002 0.000 0.263 243 K C -0.255 176.445 176.600 0.165 0.000 0.975 243 K CA -0.504 55.856 56.287 0.123 0.000 0.895 243 K CB 0.522 33.051 32.500 0.048 0.000 1.060 243 K HN 0.586 nan 8.250 nan 0.000 0.448 244 H N 2.982 122.120 119.070 0.113 0.000 2.556 244 H HA 0.291 4.846 4.556 -0.002 0.000 0.310 244 H C -0.882 174.511 175.328 0.110 0.000 1.057 244 H CA -0.665 55.450 56.048 0.112 0.000 1.264 244 H CB 0.453 30.278 29.762 0.105 0.000 1.404 244 H HN 0.253 nan 8.280 nan 0.000 0.462 245 I N 5.441 126.036 120.570 0.041 0.000 2.465 245 I HA 0.220 4.389 4.170 -0.002 0.000 0.291 245 I C -0.340 175.855 176.117 0.131 0.000 1.014 245 I CA -0.741 60.632 61.300 0.122 0.000 1.093 245 I CB 1.607 39.638 38.000 0.051 0.000 1.267 245 I HN 0.776 nan 8.210 nan 0.000 0.431 246 E N 5.283 125.598 120.200 0.191 0.000 2.312 246 E HA 0.755 5.104 4.350 -0.002 0.000 0.267 246 E C -1.685 175.007 176.600 0.153 0.000 0.894 246 E CA -0.871 55.626 56.400 0.161 0.000 0.773 246 E CB 2.781 32.576 29.700 0.158 0.000 1.241 246 E HN 0.201 nan 8.360 nan 0.000 0.432 247 V N 1.895 121.891 119.914 0.137 0.000 2.409 247 V HA 0.183 4.302 4.120 -0.002 0.000 0.291 247 V C -0.318 175.817 176.094 0.069 0.000 1.020 247 V CA -0.804 61.562 62.300 0.109 0.000 0.848 247 V CB 1.361 33.243 31.823 0.099 0.000 0.990 247 V HN 0.735 nan 8.190 nan 0.000 0.430 248 Q N 3.459 123.315 119.800 0.093 0.000 2.314 248 Q HA 0.538 4.877 4.340 -0.002 0.000 0.258 248 Q C -1.037 175.006 176.000 0.071 0.000 0.954 248 Q CA 0.312 56.161 55.803 0.076 0.000 0.890 248 Q CB 1.537 30.334 28.738 0.099 0.000 1.210 248 Q HN 0.562 nan 8.270 nan 0.000 0.410 249 V N 5.237 125.173 119.914 0.037 0.000 2.841 249 V HA 0.557 4.676 4.120 -0.002 0.000 0.310 249 V C -1.035 175.105 176.094 0.075 0.000 1.090 249 V CA -0.725 61.599 62.300 0.040 0.000 0.930 249 V CB 2.084 33.885 31.823 -0.037 0.000 1.014 249 V HN 0.747 nan 8.190 nan 0.000 0.425 250 I N 3.166 123.788 120.570 0.087 0.000 2.499 250 I HA 0.731 4.900 4.170 -0.002 0.000 0.288 250 I C 0.427 176.605 176.117 0.102 0.000 1.048 250 I CA 0.148 61.510 61.300 0.104 0.000 1.062 250 I CB 2.114 40.157 38.000 0.072 0.000 1.238 250 I HN 0.700 nan 8.210 nan 0.000 0.426 251 G N 3.441 112.311 108.800 0.118 0.000 2.432 251 G HA2 0.635 4.594 3.960 -0.002 0.000 0.331 251 G HA3 0.635 4.594 3.960 -0.002 0.000 0.331 251 G C -1.196 173.722 174.900 0.030 0.000 1.170 251 G CA -0.461 44.685 45.100 0.076 0.000 0.943 251 G HN 0.564 nan 8.290 nan 0.000 0.483 252 D N -0.829 119.595 120.400 0.040 0.000 2.539 252 D HA 0.242 4.881 4.640 -0.002 0.000 0.276 252 D C 0.615 176.926 176.300 0.018 0.000 1.206 252 D CA -0.702 53.326 54.000 0.047 0.000 1.081 252 D CB 0.985 41.845 40.800 0.100 0.000 1.142 252 D HN 0.256 nan 8.370 nan 0.000 0.595 253 E N -1.312 118.905 120.200 0.027 0.000 2.502 253 E HA -0.043 4.305 4.350 -0.002 0.000 0.194 253 E C 0.332 176.808 176.600 -0.207 0.000 1.062 253 E CA 0.356 56.707 56.400 -0.083 0.000 0.867 253 E CB -0.011 29.617 29.700 -0.120 0.000 0.888 253 E HN 0.466 nan 8.360 nan 0.000 0.510 254 H N -0.455 118.637 119.070 0.038 0.000 2.486 254 H HA 0.217 4.772 4.556 -0.002 0.000 0.284 254 H C 0.736 176.087 175.328 0.039 0.000 1.103 254 H CA 0.397 56.468 56.048 0.039 0.000 1.089 254 H CB 0.953 30.733 29.762 0.030 0.000 1.603 254 H HN 0.189 nan 8.280 nan 0.000 0.557 255 G N 1.863 110.726 108.800 0.106 0.000 2.182 255 G HA2 -0.258 3.701 3.960 -0.002 0.000 0.248 255 G HA3 -0.258 3.701 3.960 -0.002 0.000 0.248 255 G C -0.657 174.292 174.900 0.082 0.000 1.042 255 G CA -0.234 44.918 45.100 0.086 0.000 0.775 255 G HN 0.375 nan 8.290 nan 0.000 0.501 256 N N -0.492 118.258 118.700 0.083 0.000 2.354 256 N HA 0.730 5.469 4.740 -0.002 0.000 0.287 256 N C -0.561 174.987 175.510 0.064 0.000 1.016 256 N CA -0.557 52.533 53.050 0.068 0.000 0.871 256 N CB 1.682 40.208 38.487 0.064 0.000 1.299 256 N HN 0.209 nan 8.380 nan 0.000 0.482 257 I N 1.251 121.857 120.570 0.060 0.000 2.498 257 I HA 0.547 4.715 4.170 -0.002 0.000 0.290 257 I C -0.392 175.755 176.117 0.051 0.000 1.032 257 I CA -1.143 60.197 61.300 0.066 0.000 1.073 257 I CB 1.714 39.762 38.000 0.081 0.000 1.251 257 I HN 0.293 nan 8.210 nan 0.000 0.426 258 V N 1.807 121.746 119.914 0.042 0.000 3.001 258 V HA 0.774 4.893 4.120 -0.002 0.000 0.314 258 V C -0.750 175.360 176.094 0.027 0.000 1.099 258 V CA -0.653 61.653 62.300 0.009 0.000 0.989 258 V CB 1.743 33.542 31.823 -0.040 0.000 1.040 258 V HN 0.923 nan 8.190 nan 0.000 0.434 259 H N 1.706 120.727 119.070 -0.082 0.000 2.533 259 H HA 0.766 5.321 4.556 -0.002 0.000 0.343 259 H C -0.648 174.620 175.328 -0.100 0.000 1.160 259 H CA -1.227 54.758 56.048 -0.104 0.000 1.218 259 H CB 1.769 31.427 29.762 -0.172 0.000 1.566 259 H HN 0.613 nan 8.280 nan 0.000 0.522 260 L N 3.556 124.759 121.223 -0.034 0.000 3.096 260 L HA 0.259 4.598 4.340 -0.002 0.000 0.247 260 L C -0.784 176.244 176.870 0.263 0.000 1.321 260 L CA -0.338 54.524 54.840 0.037 0.000 1.044 260 L CB -0.867 41.238 42.059 0.077 0.000 1.434 260 L HN 0.642 nan 8.230 nan 0.000 0.533 261 F N -0.346 119.739 119.950 0.226 0.000 2.180 261 F HA -0.360 4.166 4.527 -0.002 0.000 0.317 261 F C 0.740 176.620 175.800 0.134 0.000 0.129 261 F CA 0.786 58.928 58.000 0.238 0.000 0.910 261 F CB -0.445 38.607 39.000 0.086 0.000 4.124 261 F HN 0.291 nan 8.300 nan 0.000 0.145 262 E N 0.368 120.753 120.200 0.309 0.000 2.263 262 E HA 0.785 5.133 4.350 -0.002 0.000 0.264 262 E C -1.267 175.422 176.600 0.147 0.000 0.923 262 E CA -1.148 55.355 56.400 0.171 0.000 0.802 262 E CB 1.411 31.175 29.700 0.107 0.000 1.228 262 E HN 0.482 nan 8.360 nan 0.000 0.417 263 R N 0.658 121.241 120.500 0.138 0.000 2.637 263 R HA 0.404 4.743 4.340 -0.002 0.000 0.291 263 R C -1.006 175.390 176.300 0.161 0.000 0.963 263 R CA -0.965 55.219 56.100 0.139 0.000 0.901 263 R CB 1.449 31.826 30.300 0.129 0.000 1.160 263 R HN 0.588 nan 8.270 nan 0.000 0.457 264 D N 2.033 122.531 120.400 0.164 0.000 2.373 264 D HA 0.179 4.817 4.640 -0.002 0.000 0.227 264 D C -0.572 175.867 176.300 0.230 0.000 1.091 264 D CA -0.369 53.746 54.000 0.193 0.000 0.840 264 D CB 1.046 41.934 40.800 0.148 0.000 1.060 264 D HN 0.555 nan 8.370 nan 0.000 0.502 265 C N 3.033 122.471 119.300 0.229 0.000 2.624 265 C HA 0.249 4.708 4.460 -0.002 0.000 0.263 265 C C 1.722 176.787 174.990 0.125 0.000 1.587 265 C CA -0.570 58.509 59.018 0.100 0.000 1.718 265 C CB -1.189 26.479 27.740 -0.120 0.000 3.050 265 C HN 0.490 nan 8.230 nan 0.000 0.517 266 S N 0.241 116.116 115.700 0.291 0.000 2.496 266 S HA -0.005 4.464 4.470 -0.002 0.000 0.224 266 S C 0.878 175.650 174.600 0.287 0.000 0.996 266 S CA 0.500 58.898 58.200 0.331 0.000 0.927 266 S CB 0.067 63.529 63.200 0.438 0.000 0.774 266 S HN 0.577 nan 8.310 nan 0.000 0.524 267 V N 3.185 123.225 119.914 0.209 0.000 2.370 267 V HA 0.288 4.406 4.120 -0.002 0.000 0.257 267 V C -0.150 176.009 176.094 0.108 0.000 1.064 267 V CA 0.028 62.424 62.300 0.160 0.000 0.975 267 V CB -0.015 31.830 31.823 0.037 0.000 1.067 267 V HN 0.345 nan 8.190 nan 0.000 0.485 268 Q N 3.125 122.990 119.800 0.108 0.000 2.359 268 Q HA 0.449 4.788 4.340 -0.002 0.000 0.274 268 Q C 0.743 176.738 176.000 -0.010 0.000 1.074 268 Q CA -0.922 54.905 55.803 0.039 0.000 0.810 268 Q CB 2.957 31.725 28.738 0.050 0.000 1.342 268 Q HN 0.761 nan 8.270 nan 0.000 0.427 269 R N 0.688 121.134 120.500 -0.089 0.000 2.051 269 R HA 0.122 4.461 4.340 -0.002 0.000 0.225 269 R C 1.242 177.413 176.300 -0.215 0.000 1.155 269 R CA 0.688 56.669 56.100 -0.198 0.000 0.945 269 R CB 0.075 30.118 30.300 -0.428 0.000 0.840 269 R HN 0.330 nan 8.270 nan 0.000 0.432 270 R N -0.918 119.437 120.500 -0.241 0.000 2.013 270 R HA 0.210 4.549 4.340 -0.002 0.000 0.198 270 R C 1.220 177.192 176.300 -0.545 0.000 1.407 270 R CA 0.860 56.749 56.100 -0.351 0.000 1.140 270 R CB -0.038 30.102 30.300 -0.267 0.000 1.011 270 R HN 0.425 nan 8.270 nan 0.000 0.472 271 H N -0.659 118.400 119.070 -0.017 0.000 3.480 271 H HA 0.220 4.775 4.556 -0.002 0.000 0.257 271 H C -0.269 175.051 175.328 -0.014 0.000 1.196 271 H CA -0.173 55.881 56.048 0.009 0.000 1.100 271 H CB 1.219 31.000 29.762 0.031 0.000 1.683 271 H HN 0.170 nan 8.280 nan 0.000 0.702 272 Q N 2.065 121.881 119.800 0.028 0.000 2.243 272 Q HA 0.229 4.568 4.340 -0.002 0.000 0.252 272 Q C -0.481 175.501 176.000 -0.029 0.000 0.909 272 Q CA -0.554 55.245 55.803 -0.007 0.000 0.922 272 Q CB 1.191 29.907 28.738 -0.036 0.000 1.215 272 Q HN 0.112 nan 8.270 nan 0.000 0.427 273 K N 2.040 122.417 120.400 -0.039 0.000 2.436 273 K HA 0.042 4.361 4.320 -0.002 0.000 0.275 273 K C 0.087 176.678 176.600 -0.014 0.000 0.999 273 K CA -0.276 55.986 56.287 -0.042 0.000 0.980 273 K CB 1.035 33.491 32.500 -0.073 0.000 0.919 273 K HN 0.444 nan 8.250 nan 0.000 0.484 274 V N 1.843 121.763 119.914 0.010 0.000 3.001 274 V HA 0.043 4.162 4.120 -0.002 0.000 0.228 274 V C -0.043 176.065 176.094 0.023 0.000 1.204 274 V CA 0.110 62.435 62.300 0.040 0.000 1.247 274 V CB 0.998 32.876 31.823 0.092 0.000 1.093 274 V HN 0.453 nan 8.190 nan 0.000 0.504 275 V N 1.553 121.471 119.914 0.006 0.000 2.531 275 V HA 0.603 4.722 4.120 -0.002 0.000 0.301 275 V C -1.161 174.984 176.094 0.085 0.000 1.034 275 V CA -0.507 61.793 62.300 -0.001 0.000 0.865 275 V CB 1.724 33.457 31.823 -0.150 0.000 0.995 275 V HN 0.465 nan 8.190 nan 0.000 0.424 276 E N 2.833 123.101 120.200 0.114 0.000 2.212 276 E HA 0.763 5.111 4.350 -0.002 0.000 0.268 276 E C -1.136 175.592 176.600 0.214 0.000 0.902 276 E CA -0.523 55.968 56.400 0.151 0.000 0.779 276 E CB 2.494 32.248 29.700 0.091 0.000 1.172 276 E HN 0.412 nan 8.360 nan 0.000 0.409 277 V N 1.015 121.075 119.914 0.243 0.000 2.735 277 V HA 0.894 5.013 4.120 -0.002 0.000 0.310 277 V C -0.779 175.430 176.094 0.192 0.000 1.061 277 V CA -0.876 61.581 62.300 0.262 0.000 0.913 277 V CB 1.796 33.798 31.823 0.298 0.000 1.005 277 V HN 0.776 nan 8.190 nan 0.000 0.428 278 A N 6.153 129.085 122.820 0.187 0.000 2.427 278 A HA 0.966 5.285 4.320 -0.002 0.000 0.298 278 A C -2.991 174.667 177.584 0.122 0.000 1.036 278 A CA -1.614 50.503 52.037 0.133 0.000 0.701 278 A CB 2.223 21.277 19.000 0.089 0.000 1.250 278 A HN 0.560 nan 8.150 nan 0.000 0.412 279 P HA 0.216 nan 4.420 nan 0.000 0.279 279 P C 0.299 177.679 177.300 0.133 0.000 1.282 279 P CA -0.252 62.880 63.100 0.053 0.000 0.788 279 P CB 0.782 32.435 31.700 -0.078 0.000 1.139 280 S N -0.732 115.012 115.700 0.072 0.000 2.549 280 S HA 0.161 4.629 4.470 -0.002 0.000 0.283 280 S C -0.096 174.476 174.600 -0.047 0.000 1.320 280 S CA -0.499 57.699 58.200 -0.003 0.000 1.058 280 S CB -0.492 62.690 63.200 -0.030 0.000 0.882 280 S HN 0.167 nan 8.310 nan 0.000 0.498 281 V N 5.618 125.383 119.914 -0.249 0.000 2.432 281 V HA 0.659 4.778 4.120 -0.002 0.000 0.275 281 V C 1.372 177.250 176.094 -0.359 0.000 1.043 281 V CA 0.705 62.773 62.300 -0.386 0.000 0.925 281 V CB 0.356 31.686 31.823 -0.822 0.000 0.985 281 V HN 1.250 nan 8.190 nan 0.000 0.466 282 G N 4.243 112.897 108.800 -0.245 0.000 2.659 282 G HA2 -0.167 3.792 3.960 -0.002 0.000 0.202 282 G HA3 -0.167 3.792 3.960 -0.002 0.000 0.202 282 G C 0.137 174.954 174.900 -0.139 0.000 1.186 282 G CA -0.397 44.575 45.100 -0.213 0.000 0.783 282 G HN 0.557 nan 8.290 nan 0.000 0.521 283 L N 2.981 124.128 121.223 -0.127 0.000 2.593 283 L HA 0.323 4.662 4.340 -0.002 0.000 0.287 283 L C 1.596 178.427 176.870 -0.065 0.000 1.243 283 L CA 0.471 55.258 54.840 -0.089 0.000 0.890 283 L CB 0.459 42.469 42.059 -0.083 0.000 1.134 283 L HN 0.685 nan 8.230 nan 0.000 0.502 284 S N 3.436 119.103 115.700 -0.056 0.000 2.568 284 S HA 0.125 4.594 4.470 -0.002 0.000 0.282 284 S C -1.377 173.200 174.600 -0.037 0.000 1.338 284 S CA -1.116 57.059 58.200 -0.042 0.000 1.045 284 S CB 0.774 63.952 63.200 -0.037 0.000 0.873 284 S HN 0.538 nan 8.310 nan 0.000 0.516 285 P HA -0.096 nan 4.420 nan 0.000 0.218 285 P C 1.351 178.635 177.300 -0.025 0.000 1.149 285 P CA 1.303 64.396 63.100 -0.011 0.000 0.817 285 P CB -0.551 31.149 31.700 0.000 0.000 0.785 286 T N 1.419 115.955 114.554 -0.030 0.000 2.580 286 T HA -0.173 4.176 4.350 -0.002 0.000 0.265 286 T C 1.929 176.590 174.700 -0.064 0.000 1.063 286 T CA 1.029 63.106 62.100 -0.038 0.000 1.170 286 T CB -1.111 67.741 68.868 -0.027 0.000 0.863 286 T HN 0.036 nan 8.240 nan 0.000 0.418 287 L N 0.655 121.838 121.223 -0.066 0.000 2.013 287 L HA -0.199 4.140 4.340 -0.002 0.000 0.212 287 L C 3.003 179.755 176.870 -0.197 0.000 1.073 287 L CA 1.672 56.453 54.840 -0.099 0.000 0.753 287 L CB -0.385 41.630 42.059 -0.073 0.000 0.890 287 L HN 0.259 nan 8.230 nan 0.000 0.432 288 R N -0.701 119.711 120.500 -0.148 0.000 2.097 288 R HA -0.249 4.090 4.340 -0.002 0.000 0.236 288 R C 2.319 178.497 176.300 -0.203 0.000 1.135 288 R CA 1.904 57.912 56.100 -0.152 0.000 0.934 288 R CB -0.267 30.007 30.300 -0.043 0.000 0.846 288 R HN 0.400 nan 8.270 nan 0.000 0.431 289 Q N 0.441 120.157 119.800 -0.141 0.000 2.112 289 Q HA -0.183 4.156 4.340 -0.002 0.000 0.206 289 Q C 2.167 178.022 176.000 -0.243 0.000 0.987 289 Q CA 1.708 57.416 55.803 -0.158 0.000 0.858 289 Q CB -0.204 28.485 28.738 -0.081 0.000 0.905 289 Q HN 0.406 nan 8.270 nan 0.000 0.420 290 R N -0.244 120.108 120.500 -0.246 0.000 2.070 290 R HA -0.082 4.257 4.340 -0.002 0.000 0.233 290 R C 2.493 178.427 176.300 -0.610 0.000 1.137 290 R CA 1.290 57.223 56.100 -0.279 0.000 0.945 290 R CB -0.549 29.685 30.300 -0.109 0.000 0.845 290 R HN 0.279 nan 8.270 nan 0.000 0.430 291 I N 0.428 120.436 120.570 -0.937 0.000 2.208 291 I HA -0.365 3.803 4.170 -0.002 0.000 0.245 291 I C 2.513 178.133 176.117 -0.827 0.000 1.097 291 I CA 1.128 61.628 61.300 -1.333 0.000 1.363 291 I CB -0.304 37.028 38.000 -1.113 0.000 1.051 291 I HN 0.268 nan 8.210 nan 0.000 0.413 292 C N 0.450 119.403 119.300 -0.577 0.000 2.446 292 C HA -0.142 4.317 4.460 -0.002 0.000 0.277 292 C C 2.447 177.159 174.990 -0.463 0.000 1.275 292 C CA 0.679 59.350 59.018 -0.578 0.000 1.727 292 C CB -0.949 26.292 27.740 -0.831 0.000 2.010 292 C HN 0.521 nan 8.230 nan 0.000 0.486 293 D N 1.024 121.207 120.400 -0.362 0.000 2.144 293 D HA -0.088 4.551 4.640 -0.002 0.000 0.199 293 D C 2.262 178.485 176.300 -0.128 0.000 0.984 293 D CA 1.615 55.489 54.000 -0.209 0.000 0.834 293 D CB -0.451 40.261 40.800 -0.146 0.000 0.955 293 D HN 0.515 nan 8.370 nan 0.000 0.465 294 A N 1.161 123.889 122.820 -0.153 0.000 1.902 294 A HA -0.029 4.290 4.320 -0.002 0.000 0.217 294 A C 2.341 179.996 177.584 0.119 0.000 1.181 294 A CA 2.070 54.116 52.037 0.015 0.000 0.623 294 A CB -0.632 18.390 19.000 0.037 0.000 0.818 294 A HN 0.234 nan 8.150 nan 0.000 0.443 295 A N -0.203 122.683 122.820 0.110 0.000 1.933 295 A HA -0.041 4.277 4.320 -0.002 0.000 0.218 295 A C 1.985 179.583 177.584 0.023 0.000 1.175 295 A CA 1.561 53.687 52.037 0.147 0.000 0.628 295 A CB -0.427 18.651 19.000 0.130 0.000 0.814 295 A HN 0.407 nan 8.150 nan 0.000 0.444 296 I N 0.724 121.274 120.570 -0.033 0.000 2.353 296 I HA -0.246 3.923 4.170 -0.002 0.000 0.248 296 I C 2.768 178.893 176.117 0.012 0.000 1.119 296 I CA 1.856 63.146 61.300 -0.015 0.000 1.417 296 I CB -1.375 36.603 38.000 -0.036 0.000 1.078 296 I HN 0.713 nan 8.210 nan 0.000 0.421 297 Q N 0.415 120.223 119.800 0.013 0.000 2.230 297 Q HA -0.171 4.168 4.340 -0.002 0.000 0.202 297 Q C 2.222 178.244 176.000 0.036 0.000 0.963 297 Q CA 1.036 56.854 55.803 0.025 0.000 0.866 297 Q CB -0.577 28.173 28.738 0.020 0.000 0.931 297 Q HN 0.365 nan 8.270 nan 0.000 0.452 298 L N 0.394 121.640 121.223 0.037 0.000 2.044 298 L HA -0.048 4.291 4.340 -0.002 0.000 0.205 298 L C 2.155 179.074 176.870 0.081 0.000 1.075 298 L CA 1.641 56.503 54.840 0.036 0.000 0.747 298 L CB -0.264 41.790 42.059 -0.008 0.000 0.903 298 L HN 0.210 nan 8.230 nan 0.000 0.435 299 M N -0.973 118.662 119.600 0.058 0.000 2.288 299 M HA -0.098 4.381 4.480 -0.002 0.000 0.266 299 M C 2.196 178.574 176.300 0.130 0.000 1.072 299 M CA 1.242 56.595 55.300 0.088 0.000 1.132 299 M CB -1.157 31.441 32.600 -0.003 0.000 1.386 299 M HN 0.400 nan 8.290 nan 0.000 0.432 300 E N 0.593 120.847 120.200 0.090 0.000 2.107 300 E HA -0.199 4.150 4.350 -0.002 0.000 0.191 300 E C 1.805 178.459 176.600 0.090 0.000 0.982 300 E CA 1.040 57.492 56.400 0.086 0.000 0.809 300 E CB 0.080 29.815 29.700 0.059 0.000 0.756 300 E HN 0.443 nan 8.360 nan 0.000 0.459 301 N N 0.559 119.309 118.700 0.083 0.000 2.069 301 N HA -0.181 4.558 4.740 -0.002 0.000 0.191 301 N C 1.627 177.195 175.510 0.096 0.000 1.031 301 N CA 1.862 54.956 53.050 0.073 0.000 0.852 301 N CB -0.082 38.439 38.487 0.056 0.000 1.018 301 N HN 0.259 nan 8.380 nan 0.000 0.423 302 I N -2.638 118.020 120.570 0.147 0.000 3.812 302 I HA 0.275 4.444 4.170 -0.002 0.000 0.320 302 I C -0.234 176.066 176.117 0.304 0.000 1.276 302 I CA -0.050 61.368 61.300 0.198 0.000 1.164 302 I CB -0.387 37.750 38.000 0.229 0.000 1.009 302 I HN -0.060 nan 8.210 nan 0.000 0.431 303 K N 1.009 121.548 120.400 0.231 0.000 3.257 303 K HA -0.287 4.032 4.320 -0.002 0.000 0.270 303 K C -0.331 176.421 176.600 0.253 0.000 0.984 303 K CA 0.443 56.858 56.287 0.213 0.000 0.739 303 K CB -1.985 30.616 32.500 0.168 0.000 1.351 303 K HN 0.585 nan 8.250 nan 0.000 0.463 304 Y N 0.025 120.333 120.300 0.013 0.000 2.683 304 Y HA 0.077 4.626 4.550 -0.002 0.000 0.340 304 Y C 0.566 176.340 175.900 -0.209 0.000 1.245 304 Y CA 0.215 58.117 58.100 -0.330 0.000 1.485 304 Y CB 0.695 39.017 38.460 -0.229 0.000 1.328 304 Y HN 0.048 nan 8.280 nan 0.000 0.603 305 V N 6.875 126.250 119.914 -0.898 0.000 2.680 305 V HA 0.305 4.424 4.120 -0.002 0.000 0.309 305 V C 0.021 175.754 176.094 -0.602 0.000 1.052 305 V CA -1.009 60.948 62.300 -0.572 0.000 0.908 305 V CB 1.491 32.906 31.823 -0.680 0.000 1.001 305 V HN 1.126 nan 8.190 nan 0.000 0.431 306 N N 1.378 119.946 118.700 -0.220 0.000 5.833 306 N HA -0.175 4.564 4.740 -0.002 0.000 0.357 306 N C -0.240 175.336 175.510 0.110 0.000 0.922 306 N CA 0.870 53.867 53.050 -0.087 0.000 1.099 306 N CB -0.471 37.932 38.487 -0.141 0.000 0.862 306 N HN 1.155 nan 8.380 nan 0.000 0.427 307 A N -0.078 122.824 122.820 0.136 0.000 2.363 307 A HA 0.665 4.984 4.320 -0.002 0.000 0.270 307 A C 0.695 178.475 177.584 0.328 0.000 1.121 307 A CA 0.781 52.939 52.037 0.202 0.000 0.800 307 A CB 0.606 19.674 19.000 0.113 0.000 1.052 307 A HN 1.086 nan 8.150 nan 0.000 0.493 308 G N 0.285 109.193 108.800 0.179 0.000 2.702 308 G HA2 0.545 4.504 3.960 -0.002 0.000 0.296 308 G HA3 0.545 4.504 3.960 -0.002 0.000 0.296 308 G C -0.973 173.830 174.900 -0.161 0.000 1.463 308 G CA -0.401 44.668 45.100 -0.052 0.000 0.890 308 G HN 0.742 nan 8.290 nan 0.000 0.534 309 T N 0.520 114.979 114.554 -0.157 0.000 2.823 309 T HA 0.587 4.936 4.350 -0.002 0.000 0.279 309 T C -0.174 174.391 174.700 -0.225 0.000 0.998 309 T CA -0.447 61.576 62.100 -0.129 0.000 0.994 309 T CB 1.855 70.691 68.868 -0.053 0.000 0.960 309 T HN 0.467 nan 8.240 nan 0.000 0.448 310 V N 3.570 123.364 119.914 -0.200 0.000 2.370 310 V HA 0.363 4.482 4.120 -0.002 0.000 0.283 310 V C 0.172 175.997 176.094 -0.448 0.000 1.023 310 V CA -0.786 61.326 62.300 -0.314 0.000 0.857 310 V CB 1.240 32.941 31.823 -0.204 0.000 0.985 310 V HN 0.837 nan 8.190 nan 0.000 0.443 311 E N 4.053 123.861 120.200 -0.653 0.000 2.204 311 E HA 0.665 5.014 4.350 -0.002 0.000 0.276 311 E C -1.523 174.506 176.600 -0.950 0.000 0.974 311 E CA -0.374 55.666 56.400 -0.600 0.000 0.815 311 E CB 2.142 31.621 29.700 -0.369 0.000 1.119 311 E HN 0.523 nan 8.360 nan 0.000 0.393 312 F N 1.089 120.822 119.950 -0.362 0.000 2.588 312 F HA 0.351 4.876 4.527 -0.002 0.000 0.310 312 F C -0.566 175.070 175.800 -0.273 0.000 1.082 312 F CA -1.107 56.769 58.000 -0.208 0.000 0.929 312 F CB 1.028 39.995 39.000 -0.056 0.000 1.254 312 F HN 0.190 nan 8.300 nan 0.000 0.455 313 L N 2.313 123.613 121.223 0.129 0.000 2.343 313 L HA 0.750 5.089 4.340 -0.002 0.000 0.275 313 L C -0.635 176.390 176.870 0.259 0.000 1.056 313 L CA -0.709 54.212 54.840 0.135 0.000 0.804 313 L CB 1.753 43.879 42.059 0.112 0.000 1.203 313 L HN 0.355 nan 8.230 nan 0.000 0.440 314 V N 2.106 122.130 119.914 0.183 0.000 2.569 314 V HA 0.696 4.815 4.120 -0.002 0.000 0.301 314 V C -0.328 175.846 176.094 0.133 0.000 1.044 314 V CA -0.373 62.025 62.300 0.163 0.000 0.874 314 V CB 1.704 33.578 31.823 0.084 0.000 1.002 314 V HN 0.821 nan 8.190 nan 0.000 0.424 318 D N 0.959 121.356 120.400 -0.005 0.000 2.363 318 D HA 0.275 4.914 4.640 -0.002 0.000 0.214 318 D C 0.172 176.452 176.300 -0.033 0.000 1.093 318 D CA 0.187 54.180 54.000 -0.012 0.000 0.837 318 D CB 0.340 41.129 40.800 -0.018 0.000 0.948 318 D HN 0.388 nan 8.370 nan 0.000 0.507 319 E N -0.204 119.949 120.200 -0.079 0.000 2.195 319 E HA 0.408 4.757 4.350 -0.002 0.000 0.271 319 E C -0.634 175.810 176.600 -0.260 0.000 0.923 319 E CA -0.912 55.322 56.400 -0.277 0.000 0.790 319 E CB 1.599 31.069 29.700 -0.383 0.000 1.155 319 E HN 0.076 nan 8.360 nan 0.000 0.402 320 F N -0.232 119.442 119.950 -0.459 0.000 2.561 320 F HA 0.735 5.261 4.527 -0.002 0.000 0.321 320 F C -1.068 174.419 175.800 -0.523 0.000 1.065 320 F CA -1.309 56.476 58.000 -0.358 0.000 0.934 320 F CB 0.855 39.674 39.000 -0.302 0.000 1.215 320 F HN 0.214 nan 8.300 nan 0.000 0.471 321 F N 2.266 122.381 119.950 0.275 0.000 2.547 321 F HA 0.394 4.920 4.527 -0.002 0.000 0.316 321 F C -0.575 175.476 175.800 0.417 0.000 1.121 321 F CA -1.066 57.079 58.000 0.241 0.000 0.911 321 F CB 1.774 40.833 39.000 0.099 0.000 1.179 321 F HN 0.617 nan 8.300 nan 0.000 0.443 322 F N 4.686 124.902 119.950 0.444 0.000 2.538 322 F HA 0.283 4.809 4.527 -0.002 0.000 0.371 322 F C 0.110 175.928 175.800 0.031 0.000 1.087 322 F CA -0.116 57.972 58.000 0.147 0.000 1.250 322 F CB 0.473 39.530 39.000 0.094 0.000 1.110 322 F HN 0.340 nan 8.300 nan 0.000 0.570 323 I N 3.168 123.143 120.570 -0.992 0.000 3.578 323 I HA 0.178 4.347 4.170 -0.002 0.000 0.238 323 I C 0.263 175.726 176.117 -1.089 0.000 1.080 323 I CA 0.661 61.520 61.300 -0.735 0.000 1.538 323 I CB -1.030 36.715 38.000 -0.425 0.000 1.477 323 I HN 0.729 nan 8.210 nan 0.000 0.464 324 E N -0.114 119.369 120.200 -1.195 0.000 2.456 324 E HA 0.597 4.945 4.350 -0.002 0.000 0.278 324 E C -1.515 174.729 176.600 -0.593 0.000 1.034 324 E CA -0.746 55.216 56.400 -0.731 0.000 0.846 324 E CB 2.389 31.909 29.700 -0.300 0.000 1.460 324 E HN -0.176 nan 8.360 nan 0.000 0.463 325 V N 1.615 121.310 119.914 -0.365 0.000 2.483 325 V HA 0.374 4.493 4.120 -0.002 0.000 0.297 325 V C -1.108 174.836 176.094 -0.249 0.000 1.027 325 V CA -1.073 60.953 62.300 -0.456 0.000 0.855 325 V CB 1.521 32.687 31.823 -1.094 0.000 0.995 325 V HN 0.575 nan 8.190 nan 0.000 0.424 326 N N 6.531 125.127 118.700 -0.173 0.000 2.500 326 N HA 0.318 5.057 4.740 -0.002 0.000 0.236 326 N C -2.573 172.939 175.510 0.003 0.000 1.022 326 N CA -1.405 51.616 53.050 -0.048 0.000 0.935 326 N CB 1.802 40.273 38.487 -0.026 0.000 1.147 326 N HN 0.403 nan 8.380 nan 0.000 0.512 327 P HA 0.207 nan 4.420 nan 0.000 0.219 327 P C -0.429 177.052 177.300 0.302 0.000 1.832 327 P CA -0.076 63.190 63.100 0.276 0.000 1.014 327 P CB 0.017 31.979 31.700 0.437 0.000 1.939 328 R N -1.178 119.454 120.500 0.220 0.000 2.832 328 R HA 0.446 4.785 4.340 -0.002 0.000 0.283 328 R C -0.932 175.455 176.300 0.145 0.000 0.998 328 R CA -1.065 55.150 56.100 0.192 0.000 0.843 328 R CB -0.188 30.237 30.300 0.208 0.000 1.332 328 R HN -0.145 nan 8.270 nan 0.000 0.490 329 V N -0.588 119.411 119.914 0.142 0.000 3.051 329 V HA 0.286 4.404 4.120 -0.002 0.000 0.306 329 V C 0.016 176.172 176.094 0.102 0.000 1.083 329 V CA -0.434 61.922 62.300 0.093 0.000 1.104 329 V CB 0.669 32.502 31.823 0.016 0.000 1.027 329 V HN 0.612 nan 8.190 nan 0.000 0.483 330 Q N 0.637 120.469 119.800 0.054 0.000 2.359 330 Q HA 0.467 4.806 4.340 -0.002 0.000 0.275 330 Q C 0.932 176.912 176.000 -0.033 0.000 1.082 330 Q CA -0.865 54.924 55.803 -0.023 0.000 0.849 330 Q CB 2.228 30.964 28.738 -0.003 0.000 1.377 330 Q HN 0.561 nan 8.270 nan 0.000 0.452 331 V N 0.742 120.443 119.914 -0.355 0.000 2.282 331 V HA -0.271 3.848 4.120 -0.002 0.000 0.249 331 V C 1.647 177.782 176.094 0.069 0.000 1.057 331 V CA 2.180 64.298 62.300 -0.304 0.000 1.032 331 V CB -0.713 30.848 31.823 -0.436 0.000 0.645 331 V HN 0.845 nan 8.190 nan 0.000 0.447 332 E N 1.670 121.880 120.200 0.016 0.000 2.365 332 E HA -0.141 4.208 4.350 -0.002 0.000 0.188 332 E C 1.635 178.251 176.600 0.027 0.000 1.102 332 E CA 0.370 56.776 56.400 0.009 0.000 0.927 332 E CB -0.840 28.864 29.700 0.007 0.000 1.073 332 E HN 0.907 nan 8.360 nan 0.000 0.467 333 H N 1.349 120.424 119.070 0.010 0.000 2.387 333 H HA -0.127 4.428 4.556 -0.002 0.000 0.299 333 H C 1.772 177.116 175.328 0.027 0.000 1.090 333 H CA 1.947 58.014 56.048 0.031 0.000 1.332 333 H CB -1.068 28.725 29.762 0.052 0.000 1.386 333 H HN 0.275 nan 8.280 nan 0.000 0.516 334 T N -0.120 113.992 114.554 -0.737 0.000 2.699 334 T HA -0.173 4.176 4.350 -0.002 0.000 0.268 334 T C 2.302 176.888 174.700 -0.189 0.000 1.036 334 T CA 1.430 63.266 62.100 -0.440 0.000 1.147 334 T CB -0.956 67.678 68.868 -0.391 0.000 0.862 334 T HN 0.355 nan 8.240 nan 0.000 0.446 335 I N 1.343 121.834 120.570 -0.131 0.000 2.185 335 I HA -0.245 3.924 4.170 -0.002 0.000 0.246 335 I C 2.596 178.678 176.117 -0.059 0.000 1.088 335 I CA 1.941 63.205 61.300 -0.059 0.000 1.347 335 I CB -0.395 37.607 38.000 0.003 0.000 1.041 335 I HN 0.382 nan 8.210 nan 0.000 0.415 336 T N -0.290 114.248 114.554 -0.027 0.000 2.942 336 T HA -0.094 4.254 4.350 -0.002 0.000 0.265 336 T C 1.591 176.276 174.700 -0.026 0.000 1.062 336 T CA 0.890 62.991 62.100 0.002 0.000 1.139 336 T CB -0.084 68.821 68.868 0.063 0.000 0.883 336 T HN 0.438 nan 8.240 nan 0.000 0.468 337 E N 1.271 121.450 120.200 -0.036 0.000 2.072 337 E HA -0.045 4.304 4.350 -0.002 0.000 0.191 337 E C 2.202 178.734 176.600 -0.114 0.000 0.985 337 E CA 0.975 57.352 56.400 -0.039 0.000 0.801 337 E CB -0.241 29.450 29.700 -0.016 0.000 0.750 337 E HN 0.457 nan 8.360 nan 0.000 0.452 338 M N 0.810 120.295 119.600 -0.192 0.000 2.149 338 M HA -0.162 4.317 4.480 -0.002 0.000 0.261 338 M C 2.582 178.539 176.300 -0.572 0.000 1.064 338 M CA 1.413 56.478 55.300 -0.391 0.000 1.102 338 M CB -0.384 31.957 32.600 -0.431 0.000 1.369 338 M HN 0.169 nan 8.290 nan 0.000 0.408 339 V N -3.443 116.256 119.914 -0.358 0.000 2.992 339 V HA -0.004 4.114 4.120 -0.002 0.000 0.250 339 V C 2.055 178.056 176.094 -0.155 0.000 1.090 339 V CA 1.489 63.631 62.300 -0.263 0.000 1.101 339 V CB -1.128 30.582 31.823 -0.188 0.000 0.743 339 V HN 0.531 nan 8.190 nan 0.000 0.468 340 T N -3.544 110.950 114.554 -0.101 0.000 3.037 340 T HA 0.427 4.776 4.350 -0.002 0.000 0.252 340 T C 1.826 176.509 174.700 -0.028 0.000 1.073 340 T CA 1.162 63.236 62.100 -0.043 0.000 1.091 340 T CB 0.464 69.344 68.868 0.020 0.000 0.935 340 T HN 1.501 nan 8.240 nan 0.000 0.488 341 G N 1.166 109.942 108.800 -0.041 0.000 2.199 341 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.254 341 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.254 341 G C -0.103 174.800 174.900 0.005 0.000 0.982 341 G CA 0.029 45.119 45.100 -0.016 0.000 0.632 341 G HN 0.596 nan 8.290 nan 0.000 0.529 342 I N 1.775 122.352 120.570 0.012 0.000 2.395 342 I HA 0.337 4.506 4.170 -0.002 0.000 0.289 342 I C 0.106 176.249 176.117 0.042 0.000 1.023 342 I CA -0.811 60.506 61.300 0.029 0.000 1.350 342 I CB 1.407 39.427 38.000 0.034 0.000 1.409 342 I HN 0.084 nan 8.210 nan 0.000 0.507 343 D N 6.833 127.264 120.400 0.052 0.000 2.365 343 D HA 0.179 4.818 4.640 -0.002 0.000 0.237 343 D C 1.076 177.430 176.300 0.090 0.000 1.190 343 D CA 0.116 54.160 54.000 0.072 0.000 0.867 343 D CB 0.749 41.589 40.800 0.067 0.000 1.050 343 D HN 0.419 nan 8.370 nan 0.000 0.491 344 I N 3.051 123.694 120.570 0.123 0.000 2.163 344 I HA -0.255 3.914 4.170 -0.002 0.000 0.240 344 I C 2.338 178.519 176.117 0.107 0.000 1.081 344 I CA 0.526 61.899 61.300 0.122 0.000 1.353 344 I CB -0.018 38.080 38.000 0.163 0.000 1.054 344 I HN 0.297 nan 8.210 nan 0.000 0.407 345 V N 1.117 121.100 119.914 0.115 0.000 2.252 345 V HA -0.365 3.754 4.120 -0.002 0.000 0.249 345 V C 2.522 178.687 176.094 0.117 0.000 1.056 345 V CA 2.172 64.535 62.300 0.105 0.000 1.022 345 V CB -0.797 31.062 31.823 0.060 0.000 0.641 345 V HN 0.419 nan 8.190 nan 0.000 0.445 346 K N -0.542 119.917 120.400 0.098 0.000 2.147 346 K HA -0.186 4.133 4.320 -0.002 0.000 0.205 346 K C 2.152 178.795 176.600 0.071 0.000 1.049 346 K CA 1.838 58.176 56.287 0.085 0.000 0.936 346 K CB -0.221 32.324 32.500 0.075 0.000 0.722 346 K HN 0.573 nan 8.250 nan 0.000 0.446 347 T N 1.156 115.751 114.554 0.068 0.000 2.737 347 T HA -0.141 4.208 4.350 -0.002 0.000 0.265 347 T C 1.702 176.428 174.700 0.043 0.000 1.038 347 T CA 1.229 63.362 62.100 0.055 0.000 1.144 347 T CB -0.145 68.757 68.868 0.056 0.000 0.866 347 T HN 0.366 nan 8.240 nan 0.000 0.434 348 Q N 0.408 120.233 119.800 0.042 0.000 2.062 348 Q HA -0.129 4.210 4.340 -0.002 0.000 0.209 348 Q C 2.366 178.350 176.000 -0.025 0.000 0.996 348 Q CA 1.636 57.435 55.803 -0.005 0.000 0.859 348 Q CB -0.518 28.207 28.738 -0.022 0.000 0.920 348 Q HN 0.522 nan 8.270 nan 0.000 0.415 349 I N 0.401 120.981 120.570 0.017 0.000 2.226 349 I HA -0.300 3.869 4.170 -0.002 0.000 0.245 349 I C 2.199 178.331 176.117 0.025 0.000 1.100 349 I CA 1.074 62.389 61.300 0.024 0.000 1.374 349 I CB -0.253 37.794 38.000 0.078 0.000 1.057 349 I HN 0.203 nan 8.210 nan 0.000 0.413 350 L N -0.314 120.931 121.223 0.035 0.000 2.056 350 L HA -0.164 4.175 4.340 -0.002 0.000 0.207 350 L C 2.614 179.507 176.870 0.038 0.000 1.078 350 L CA 0.826 55.689 54.840 0.039 0.000 0.749 350 L CB -0.584 41.501 42.059 0.042 0.000 0.901 350 L HN 0.048 nan 8.230 nan 0.000 0.433 351 V N 0.464 120.396 119.914 0.029 0.000 2.282 351 V HA -0.377 3.742 4.120 -0.002 0.000 0.249 351 V C 2.765 178.870 176.094 0.019 0.000 1.057 351 V CA 2.061 64.377 62.300 0.026 0.000 1.032 351 V CB -0.950 30.875 31.823 0.003 0.000 0.645 351 V HN 0.527 nan 8.190 nan 0.000 0.447 352 A N -0.446 122.372 122.820 -0.003 0.000 2.070 352 A HA -0.030 4.289 4.320 -0.002 0.000 0.220 352 A C 2.169 179.766 177.584 0.021 0.000 1.159 352 A CA 1.798 53.832 52.037 -0.004 0.000 0.656 352 A CB -0.520 18.458 19.000 -0.037 0.000 0.800 352 A HN 0.643 nan 8.150 nan 0.000 0.453 353 A N -2.147 120.692 122.820 0.032 0.000 2.251 353 A HA 0.431 4.750 4.320 -0.002 0.000 0.209 353 A C 1.762 179.383 177.584 0.061 0.000 1.187 353 A CA 1.131 53.194 52.037 0.042 0.000 0.823 353 A CB -0.732 18.293 19.000 0.041 0.000 0.846 353 A HN 1.792 nan 8.150 nan 0.000 0.486 354 G N -1.736 107.111 108.800 0.078 0.000 2.194 354 G HA2 0.072 4.031 3.960 -0.002 0.000 0.236 354 G HA3 0.072 4.031 3.960 -0.002 0.000 0.236 354 G C 0.605 175.625 174.900 0.201 0.000 0.987 354 G CA 0.236 45.420 45.100 0.140 0.000 0.635 354 G HN 1.621 nan 8.290 nan 0.000 0.520 355 A N 0.112 123.001 122.820 0.115 0.000 2.547 355 A HA 0.473 4.792 4.320 -0.002 0.000 0.233 355 A C 1.058 178.695 177.584 0.089 0.000 1.067 355 A CA 1.521 53.605 52.037 0.078 0.000 0.763 355 A CB 0.204 19.236 19.000 0.053 0.000 1.007 355 A HN 0.572 nan 8.150 nan 0.000 0.506 356 D N -0.107 120.303 120.400 0.017 0.000 2.256 356 D HA 0.463 5.102 4.640 -0.002 0.000 0.279 356 D C 0.977 177.289 176.300 0.020 0.000 1.209 356 D CA 1.715 55.711 54.000 -0.008 0.000 0.946 356 D CB -0.201 40.545 40.800 -0.091 0.000 0.914 356 D HN 1.566 nan 8.370 nan 0.000 0.278 357 G N -0.797 108.002 108.800 -0.003 0.000 2.466 357 G HA2 -0.172 3.787 3.960 -0.002 0.000 0.316 357 G HA3 -0.172 3.787 3.960 -0.002 0.000 0.316 357 G C 0.274 175.176 174.900 0.002 0.000 1.270 357 G CA 0.216 45.311 45.100 -0.008 0.000 0.982 357 G HN 0.362 nan 8.290 nan 0.000 0.506 358 E N 0.101 120.302 120.200 0.002 0.000 2.299 358 E HA 0.113 4.462 4.350 -0.002 0.000 0.193 358 E C 2.144 178.752 176.600 0.014 0.000 0.998 358 E CA 1.243 57.648 56.400 0.008 0.000 0.851 358 E CB 0.119 29.822 29.700 0.006 0.000 0.795 358 E HN 0.512 nan 8.360 nan 0.000 0.492 359 E N 0.520 120.729 120.200 0.015 0.000 2.028 359 E HA -0.070 4.279 4.350 -0.002 0.000 0.190 359 E C 1.819 178.435 176.600 0.026 0.000 0.984 359 E CA 0.917 57.330 56.400 0.022 0.000 0.800 359 E CB 0.107 29.823 29.700 0.026 0.000 0.758 359 E HN 0.219 nan 8.360 nan 0.000 0.448 360 I N -0.110 120.475 120.570 0.026 0.000 2.494 360 I HA 0.003 4.172 4.170 -0.002 0.000 0.250 360 I C -0.407 175.726 176.117 0.026 0.000 1.112 360 I CA 0.017 61.334 61.300 0.029 0.000 1.438 360 I CB -0.474 37.545 38.000 0.032 0.000 1.111 360 I HN 0.055 nan 8.210 nan 0.000 0.431 361 N N 0.815 119.527 118.700 0.021 0.000 4.188 361 N HA -0.131 4.608 4.740 -0.002 0.000 0.325 361 N C -2.712 172.809 175.510 0.018 0.000 2.031 361 N CA 0.355 53.416 53.050 0.018 0.000 3.095 361 N CB -0.977 37.522 38.487 0.019 0.000 0.283 361 N HN 0.169 nan 8.380 nan 0.000 0.862 362 P HA 0.407 nan 4.420 nan 0.000 0.318 362 P C -1.213 176.089 177.300 0.004 0.000 1.443 362 P CA -0.809 62.297 63.100 0.009 0.000 1.190 362 P CB 1.479 33.187 31.700 0.013 0.000 1.641 363 Q N 0.715 120.519 119.800 0.006 0.000 2.474 363 Q HA -0.030 4.308 4.340 -0.002 0.000 0.256 363 Q C 1.342 177.339 176.000 -0.005 0.000 1.048 363 Q CA 0.536 56.340 55.803 0.003 0.000 0.922 363 Q CB 0.522 29.265 28.738 0.007 0.000 1.288 363 Q HN 0.272 nan 8.270 nan 0.000 0.484 364 Q N 2.218 122.009 119.800 -0.015 0.000 2.133 364 Q HA -0.276 4.063 4.340 -0.002 0.000 0.208 364 Q C 1.194 177.184 176.000 -0.017 0.000 0.991 364 Q CA 2.679 58.456 55.803 -0.044 0.000 0.867 364 Q CB -0.150 28.570 28.738 -0.030 0.000 0.911 364 Q HN 0.711 nan 8.270 nan 0.000 0.417 365 K N -1.077 119.329 120.400 0.011 0.000 2.209 365 K HA -0.123 4.196 4.320 -0.002 0.000 0.204 365 K C 0.906 177.533 176.600 0.045 0.000 1.048 365 K CA 1.623 57.929 56.287 0.033 0.000 0.940 365 K CB -0.053 32.463 32.500 0.026 0.000 0.729 365 K HN 0.103 nan 8.250 nan 0.000 0.451 366 D N 0.798 121.218 120.400 0.032 0.000 2.348 366 D HA 0.122 4.761 4.640 -0.002 0.000 0.211 366 D C 0.375 176.703 176.300 0.046 0.000 0.998 366 D CA 0.227 54.247 54.000 0.033 0.000 0.873 366 D CB 0.089 40.901 40.800 0.020 0.000 0.925 366 D HN 0.223 nan 8.370 nan 0.000 0.524 367 I N 1.787 122.393 120.570 0.060 0.000 2.517 367 I HA 0.046 4.215 4.170 -0.002 0.000 0.285 367 I C 0.533 176.805 176.117 0.258 0.000 1.106 367 I CA 0.412 61.777 61.300 0.108 0.000 1.402 367 I CB 0.507 38.531 38.000 0.041 0.000 1.399 367 I HN -0.109 nan 8.210 nan 0.000 0.535 368 T N 0.699 115.315 114.554 0.103 0.000 2.841 368 T HA 0.542 4.891 4.350 -0.002 0.000 0.296 368 T C -0.292 174.210 174.700 -0.330 0.000 1.166 368 T CA -0.998 61.012 62.100 -0.151 0.000 1.007 368 T CB 1.700 70.500 68.868 -0.113 0.000 1.253 368 T HN 0.529 nan 8.240 nan 0.000 0.511 369 T N -0.404 113.808 114.554 -0.570 0.000 2.907 369 T HA 0.684 5.033 4.350 -0.002 0.000 0.284 369 T C -0.623 173.913 174.700 -0.273 0.000 1.004 369 T CA -0.889 60.957 62.100 -0.423 0.000 1.063 369 T CB 1.096 69.641 68.868 -0.538 0.000 0.992 369 T HN 0.754 nan 8.240 nan 0.000 0.483 370 L N 3.155 124.277 121.223 -0.169 0.000 2.343 370 L HA 0.672 5.011 4.340 -0.002 0.000 0.278 370 L C 0.636 177.512 176.870 0.010 0.000 0.996 370 L CA 1.044 55.844 54.840 -0.067 0.000 0.831 370 L CB 0.643 42.718 42.059 0.025 0.000 1.232 370 L HN 1.338 nan 8.230 nan 0.000 0.413 371 G N 2.967 111.717 108.800 -0.084 0.000 2.575 371 G HA2 -0.307 3.652 3.960 -0.002 0.000 0.267 371 G HA3 -0.307 3.652 3.960 -0.002 0.000 0.267 371 G C -0.978 173.775 174.900 -0.245 0.000 1.264 371 G CA 0.529 45.602 45.100 -0.046 0.000 0.935 371 G HN 0.719 nan 8.290 nan 0.000 0.568 372 Y N -0.161 120.244 120.300 0.175 0.000 2.492 372 Y HA 0.657 5.206 4.550 -0.002 0.000 0.346 372 Y C 0.576 176.635 175.900 0.265 0.000 0.997 372 Y CA -0.042 58.174 58.100 0.193 0.000 1.025 372 Y CB 2.345 40.937 38.460 0.219 0.000 1.263 372 Y HN 1.164 nan 8.280 nan 0.000 0.454 373 A N 3.623 126.650 122.820 0.345 0.000 2.371 373 A HA 0.898 5.216 4.320 -0.002 0.000 0.311 373 A C -1.316 176.406 177.584 0.229 0.000 1.068 373 A CA -0.608 51.573 52.037 0.240 0.000 0.744 373 A CB 0.815 19.859 19.000 0.073 0.000 1.239 373 A HN 0.701 nan 8.150 nan 0.000 0.435 374 I N 0.928 121.612 120.570 0.190 0.000 2.646 374 I HA 0.516 4.685 4.170 -0.002 0.000 0.299 374 I C -0.104 176.078 176.117 0.109 0.000 1.036 374 I CA -0.456 60.962 61.300 0.196 0.000 1.074 374 I CB 2.247 40.382 38.000 0.225 0.000 1.258 374 I HN 0.799 nan 8.210 nan 0.000 0.430 375 Q N 4.714 124.572 119.800 0.095 0.000 2.394 375 Q HA 0.744 5.083 4.340 -0.002 0.000 0.273 375 Q C -1.592 174.430 176.000 0.037 0.000 1.089 375 Q CA -0.655 55.176 55.803 0.047 0.000 0.812 375 Q CB 2.750 31.503 28.738 0.024 0.000 1.353 375 Q HN 0.926 nan 8.270 nan 0.000 0.438 376 C N 0.941 120.254 119.300 0.021 0.000 3.086 376 C HA 0.840 5.299 4.460 -0.002 0.000 0.311 376 C C -1.323 173.686 174.990 0.033 0.000 1.260 376 C CA -1.005 58.024 59.018 0.017 0.000 1.426 376 C CB 1.693 29.428 27.740 -0.008 0.000 1.826 376 C HN 0.936 nan 8.230 nan 0.000 0.474 377 R N 1.991 122.518 120.500 0.045 0.000 2.338 377 R HA 0.697 5.036 4.340 -0.002 0.000 0.317 377 R C -0.215 176.131 176.300 0.077 0.000 0.968 377 R CA -0.682 55.453 56.100 0.058 0.000 0.849 377 R CB 0.703 31.033 30.300 0.051 0.000 1.128 377 R HN 0.748 nan 8.270 nan 0.000 0.448 378 I N 3.698 124.317 120.570 0.081 0.000 2.396 378 I HA 0.222 4.391 4.170 -0.002 0.000 0.289 378 I C 0.686 176.855 176.117 0.087 0.000 1.056 378 I CA -0.009 61.345 61.300 0.090 0.000 1.365 378 I CB 0.506 38.565 38.000 0.098 0.000 1.407 378 I HN 0.672 nan 8.210 nan 0.000 0.509 379 T N 0.570 115.175 114.554 0.085 0.000 2.888 379 T HA 0.369 4.718 4.350 -0.002 0.000 0.288 379 T C 0.834 175.566 174.700 0.053 0.000 1.063 379 T CA -0.470 61.674 62.100 0.073 0.000 1.010 379 T CB 1.697 70.614 68.868 0.083 0.000 1.214 379 T HN 0.607 nan 8.240 nan 0.000 0.533 380 T N -2.226 112.352 114.554 0.040 0.000 3.252 380 T HA 0.185 4.534 4.350 -0.002 0.000 0.250 380 T C 0.233 174.930 174.700 -0.004 0.000 1.123 380 T CA -0.254 61.855 62.100 0.016 0.000 1.006 380 T CB -0.682 68.194 68.868 0.012 0.000 0.992 380 T HN 0.691 nan 8.240 nan 0.000 0.547 381 E N 2.648 122.853 120.200 0.008 0.000 2.292 381 E HA 0.079 4.428 4.350 -0.002 0.000 0.265 381 E C -0.582 175.917 176.600 -0.167 0.000 1.093 381 E CA -0.371 56.018 56.400 -0.017 0.000 0.922 381 E CB 0.292 30.064 29.700 0.121 0.000 1.001 381 E HN 0.273 nan 8.360 nan 0.000 0.444 382 D N 5.198 125.491 120.400 -0.178 0.000 2.342 382 D HA 0.035 4.674 4.640 -0.002 0.000 0.260 382 D C -1.828 174.197 176.300 -0.458 0.000 1.278 382 D CA -2.305 51.553 54.000 -0.237 0.000 0.910 382 D CB 1.035 41.750 40.800 -0.142 0.000 1.079 382 D HN 0.157 nan 8.370 nan 0.000 0.496 383 P HA 0.000 nan 4.420 nan 0.000 0.229 383 P C 1.211 178.240 177.300 -0.452 0.000 1.160 383 P CA 0.526 62.987 63.100 -1.065 0.000 0.777 383 P CB 0.270 31.512 31.700 -0.762 0.000 0.814 384 L N -1.629 119.445 121.223 -0.248 0.000 2.418 384 L HA 0.081 4.420 4.340 -0.002 0.000 0.218 384 L C 1.047 177.842 176.870 -0.126 0.000 1.125 384 L CA 0.740 55.504 54.840 -0.127 0.000 0.835 384 L CB -0.554 41.458 42.059 -0.080 0.000 0.953 384 L HN -0.090 nan 8.230 nan 0.000 0.454 385 N N 0.029 118.636 118.700 -0.154 0.000 2.818 385 N HA 0.054 4.793 4.740 -0.002 0.000 0.301 385 N C -0.291 175.171 175.510 -0.081 0.000 1.821 385 N CA -0.054 52.933 53.050 -0.104 0.000 0.930 385 N CB -0.059 38.377 38.487 -0.086 0.000 1.263 385 N HN -0.049 nan 8.380 nan 0.000 0.487 386 D N 1.497 121.868 120.400 -0.048 0.000 2.792 386 D HA -0.280 4.359 4.640 -0.002 0.000 0.231 386 D C -0.803 175.629 176.300 0.219 0.000 1.160 386 D CA 0.827 54.872 54.000 0.074 0.000 0.697 386 D CB -1.104 39.700 40.800 0.007 0.000 1.070 386 D HN 0.629 nan 8.370 nan 0.000 0.426 387 F N -2.780 117.106 119.950 -0.106 0.000 2.985 387 F HA -0.298 4.228 4.527 -0.002 0.000 0.303 387 F C 1.090 176.844 175.800 -0.077 0.000 0.976 387 F CA 0.281 58.219 58.000 -0.102 0.000 1.013 387 F CB -1.092 37.831 39.000 -0.128 0.000 1.060 387 F HN 0.142 nan 8.300 nan 0.000 0.780 388 M N 2.162 121.768 119.600 0.009 0.000 2.184 388 M HA 0.193 4.672 4.480 -0.002 0.000 0.351 388 M C -2.014 174.277 176.300 -0.015 0.000 1.395 388 M CA -1.355 53.941 55.300 -0.007 0.000 1.117 388 M CB 0.641 33.221 32.600 -0.033 0.000 1.708 388 M HN -0.197 nan 8.290 nan 0.000 0.468 389 P HA 0.042 nan 4.420 nan 0.000 0.264 389 P C -0.587 176.701 177.300 -0.019 0.000 1.537 389 P CA -0.150 62.948 63.100 -0.002 0.000 1.189 389 P CB -0.288 31.415 31.700 0.005 0.000 1.687 390 D N 2.349 122.735 120.400 -0.024 0.000 2.423 390 D HA 0.106 4.745 4.640 -0.002 0.000 0.238 390 D C 0.366 176.654 176.300 -0.021 0.000 1.142 390 D CA 0.440 54.424 54.000 -0.028 0.000 0.884 390 D CB 0.696 41.478 40.800 -0.030 0.000 1.199 390 D HN 0.237 nan 8.370 nan 0.000 0.438 391 T N -0.324 114.215 114.554 -0.025 0.000 2.927 391 T HA 0.866 5.215 4.350 -0.002 0.000 0.286 391 T C 0.502 175.192 174.700 -0.016 0.000 1.040 391 T CA -0.120 61.969 62.100 -0.018 0.000 1.010 391 T CB 1.637 70.489 68.868 -0.026 0.000 1.177 391 T HN 0.712 nan 8.240 nan 0.000 0.546 392 G N 0.015 108.807 108.800 -0.013 0.000 2.278 392 G HA2 0.368 4.327 3.960 -0.002 0.000 0.265 392 G HA3 0.368 4.327 3.960 -0.002 0.000 0.265 392 G C -0.910 173.973 174.900 -0.028 0.000 1.329 392 G CA -0.363 44.726 45.100 -0.018 0.000 1.017 392 G HN 0.985 nan 8.290 nan 0.000 0.472 393 T N 0.624 115.157 114.554 -0.035 0.000 2.888 393 T HA 0.665 5.014 4.350 -0.002 0.000 0.284 393 T C 0.163 174.840 174.700 -0.038 0.000 1.017 393 T CA -0.294 61.776 62.100 -0.050 0.000 1.022 393 T CB 1.549 70.384 68.868 -0.056 0.000 1.013 393 T HN 0.573 nan 8.240 nan 0.000 0.465 394 I N 3.403 123.932 120.570 -0.068 0.000 2.306 394 I HA 0.227 4.396 4.170 -0.002 0.000 0.288 394 I C 1.288 177.419 176.117 0.024 0.000 1.036 394 I CA -0.587 60.690 61.300 -0.038 0.000 1.221 394 I CB 0.874 38.810 38.000 -0.106 0.000 1.385 394 I HN 0.698 nan 8.210 nan 0.000 0.472 395 I N 3.496 124.112 120.570 0.076 0.000 2.876 395 I HA 0.389 4.557 4.170 -0.002 0.000 0.264 395 I C 0.839 177.014 176.117 0.096 0.000 1.204 395 I CA 0.636 62.016 61.300 0.133 0.000 1.485 395 I CB 0.043 38.142 38.000 0.166 0.000 1.103 395 I HN 0.497 nan 8.210 nan 0.000 0.446 396 A N -0.195 122.683 122.820 0.096 0.000 2.577 396 A HA 0.651 4.970 4.320 -0.002 0.000 0.297 396 A C -1.903 175.786 177.584 0.176 0.000 1.060 396 A CA -0.395 51.710 52.037 0.112 0.000 0.697 396 A CB 0.608 19.649 19.000 0.069 0.000 1.281 396 A HN 0.301 nan 8.150 nan 0.000 0.402 397 Y N 1.469 121.798 120.300 0.048 0.000 2.315 397 Y HA 0.723 5.271 4.550 -0.002 0.000 0.324 397 Y C -0.704 175.234 175.900 0.062 0.000 1.062 397 Y CA -0.459 57.675 58.100 0.058 0.000 1.159 397 Y CB 1.494 40.004 38.460 0.083 0.000 1.145 397 Y HN 0.657 nan 8.280 nan 0.000 0.442 398 R N 3.903 124.155 120.500 -0.415 0.000 2.371 398 R HA 0.397 4.736 4.340 -0.002 0.000 0.312 398 R C -0.556 175.446 176.300 -0.496 0.000 0.980 398 R CA -0.526 55.336 56.100 -0.397 0.000 0.867 398 R CB 1.472 31.676 30.300 -0.160 0.000 1.163 398 R HN 0.731 nan 8.270 nan 0.000 0.492 399 S N 0.504 115.841 115.700 -0.604 0.000 2.681 399 S HA 0.337 4.806 4.470 -0.002 0.000 0.270 399 S C 1.036 175.548 174.600 -0.145 0.000 1.209 399 S CA -0.179 57.822 58.200 -0.331 0.000 0.988 399 S CB 1.565 64.634 63.200 -0.219 0.000 1.006 399 S HN 0.508 nan 8.310 nan 0.000 0.558 400 S N 1.410 117.067 115.700 -0.072 0.000 2.291 400 S HA 0.638 5.107 4.470 -0.002 0.000 0.185 400 S C 1.313 175.906 174.600 -0.011 0.000 0.996 400 S CA 0.295 58.473 58.200 -0.036 0.000 0.997 400 S CB -1.812 61.374 63.200 -0.023 0.000 0.899 400 S HN 2.354 nan 8.310 nan 0.000 0.493 401 G N -0.390 108.413 108.800 0.005 0.000 2.526 401 G HA2 0.441 4.400 3.960 -0.002 0.000 0.250 401 G HA3 0.441 4.400 3.960 -0.002 0.000 0.250 401 G C 0.202 175.118 174.900 0.026 0.000 1.289 401 G CA -0.290 44.822 45.100 0.021 0.000 0.947 401 G HN 2.369 nan 8.290 nan 0.000 0.517 402 G N -2.008 106.820 108.800 0.046 0.000 2.515 402 G HA2 0.493 4.451 3.960 -0.002 0.000 0.686 402 G HA3 0.493 4.451 3.960 -0.002 0.000 0.686 402 G C -0.230 174.730 174.900 0.101 0.000 1.274 402 G CA 0.078 45.223 45.100 0.075 0.000 0.874 402 G HN 2.196 nan 8.290 nan 0.000 0.631 403 F N 1.710 121.666 119.950 0.010 0.000 2.578 403 F HA 0.410 4.936 4.527 -0.002 0.000 0.376 403 F C 1.520 177.330 175.800 0.017 0.000 1.085 403 F CA 1.748 59.756 58.000 0.014 0.000 1.260 403 F CB 0.704 39.706 39.000 0.004 0.000 1.095 403 F HN 2.287 nan 8.300 nan 0.000 0.573 404 G N 3.878 112.177 108.800 -0.835 0.000 2.143 404 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.248 404 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.248 404 G C -0.646 174.101 174.900 -0.255 0.000 0.991 404 G CA 0.098 44.777 45.100 -0.703 0.000 0.689 404 G HN 0.872 nan 8.290 nan 0.000 0.522 405 V N 1.190 121.016 119.914 -0.148 0.000 2.409 405 V HA 0.696 4.815 4.120 -0.002 0.000 0.291 405 V C 0.345 176.424 176.094 -0.026 0.000 1.020 405 V CA -1.121 61.145 62.300 -0.058 0.000 0.848 405 V CB 1.749 33.556 31.823 -0.027 0.000 0.990 405 V HN 0.323 nan 8.190 nan 0.000 0.430 406 R N 4.687 125.178 120.500 -0.015 0.000 2.437 406 R HA 0.602 4.941 4.340 -0.002 0.000 0.310 406 R C -1.517 174.795 176.300 0.020 0.000 0.955 406 R CA -0.680 55.421 56.100 0.002 0.000 0.851 406 R CB 1.608 31.902 30.300 -0.011 0.000 1.161 406 R HN 0.686 nan 8.270 nan 0.000 0.446 407 L N 4.404 125.652 121.223 0.041 0.000 2.277 407 L HA 0.312 4.650 4.340 -0.002 0.000 0.284 407 L C -0.284 176.632 176.870 0.076 0.000 1.028 407 L CA -0.467 54.413 54.840 0.067 0.000 0.835 407 L CB 1.598 43.711 42.059 0.090 0.000 1.215 407 L HN 0.305 nan 8.230 nan 0.000 0.425 408 D N 4.111 124.553 120.400 0.071 0.000 2.441 408 D HA 0.286 4.925 4.640 -0.002 0.000 0.221 408 D C 0.192 176.543 176.300 0.084 0.000 1.156 408 D CA 0.021 54.064 54.000 0.071 0.000 0.896 408 D CB 1.686 42.525 40.800 0.066 0.000 1.028 408 D HN 0.482 nan 8.370 nan 0.000 0.509 409 A N 1.757 124.628 122.820 0.086 0.000 2.409 409 A HA 0.560 4.879 4.320 -0.002 0.000 0.262 409 A C 1.081 178.692 177.584 0.045 0.000 1.113 409 A CA -0.004 52.081 52.037 0.079 0.000 0.790 409 A CB 0.990 20.038 19.000 0.079 0.000 1.046 409 A HN 0.546 nan 8.150 nan 0.000 0.496 410 G N 0.052 108.883 108.800 0.051 0.000 2.508 410 G HA2 0.185 4.144 3.960 -0.002 0.000 0.217 410 G HA3 0.185 4.144 3.960 -0.002 0.000 0.217 410 G C 0.371 175.329 174.900 0.097 0.000 2.004 410 G CA 0.346 45.474 45.100 0.046 0.000 0.750 410 G HN 0.591 nan 8.290 nan 0.000 0.730 411 D N 1.097 121.555 120.400 0.096 0.000 2.349 411 D HA 0.122 4.761 4.640 -0.002 0.000 0.214 411 D C 1.126 177.445 176.300 0.032 0.000 1.063 411 D CA 0.100 54.178 54.000 0.130 0.000 0.847 411 D CB 0.617 41.446 40.800 0.049 0.000 0.933 411 D HN 0.253 nan 8.370 nan 0.000 0.513 412 G N 1.473 110.252 108.800 -0.035 0.000 2.530 412 G HA2 0.423 4.382 3.960 -0.002 0.000 0.313 412 G HA3 0.423 4.382 3.960 -0.002 0.000 0.313 412 G C -0.406 174.013 174.900 -0.802 0.000 0.971 412 G CA -0.210 44.662 45.100 -0.381 0.000 1.237 412 G HN 0.128 nan 8.290 nan 0.000 0.446 413 F N -0.519 119.036 119.950 -0.658 0.000 3.122 413 F HA 0.539 5.065 4.527 -0.002 0.000 0.325 413 F C -0.459 175.312 175.800 -0.050 0.000 1.162 413 F CA -1.796 55.950 58.000 -0.423 0.000 0.876 413 F CB 0.970 39.837 39.000 -0.222 0.000 1.429 413 F HN 0.470 nan 8.300 nan 0.000 0.484 414 Q N 0.918 120.848 119.800 0.218 0.000 2.332 414 Q HA 0.505 4.844 4.340 -0.002 0.000 0.263 414 Q C 0.568 176.582 176.000 0.023 0.000 0.979 414 Q CA -0.025 55.853 55.803 0.126 0.000 0.885 414 Q CB 1.185 30.042 28.738 0.198 0.000 1.218 414 Q HN 1.905 nan 8.270 nan 0.000 0.405 415 G N 1.534 110.319 108.800 -0.025 0.000 2.323 415 G HA2 -0.166 3.793 3.960 -0.002 0.000 0.292 415 G HA3 -0.166 3.793 3.960 -0.002 0.000 0.292 415 G C -0.023 174.779 174.900 -0.163 0.000 1.040 415 G CA 0.043 45.129 45.100 -0.023 0.000 0.942 415 G HN 1.117 nan 8.290 nan 0.000 0.506 416 A N 0.507 123.079 122.820 -0.413 0.000 2.260 416 A HA 0.653 4.972 4.320 -0.002 0.000 0.314 416 A C 0.493 177.937 177.584 -0.234 0.000 1.257 416 A CA -0.588 51.117 52.037 -0.553 0.000 0.871 416 A CB 0.539 18.805 19.000 -1.223 0.000 1.166 416 A HN 0.407 nan 8.150 nan 0.000 0.522 417 E N 3.837 123.979 120.200 -0.097 0.000 1.941 417 E HA 0.182 4.531 4.350 -0.002 0.000 0.275 417 E C -0.704 175.906 176.600 0.017 0.000 1.113 417 E CA -0.003 56.384 56.400 -0.022 0.000 0.878 417 E CB 0.269 29.985 29.700 0.026 0.000 1.070 417 E HN 0.572 nan 8.360 nan 0.000 0.399 418 I N 2.451 123.021 120.570 0.000 0.000 2.494 418 I HA -0.066 4.103 4.170 -0.002 0.000 0.289 418 I C 0.784 176.958 176.117 0.095 0.000 1.106 418 I CA -0.007 61.319 61.300 0.043 0.000 1.369 418 I CB -0.012 37.995 38.000 0.013 0.000 1.410 418 I HN 0.254 nan 8.210 nan 0.000 0.523 419 S N 7.480 123.296 115.700 0.195 0.000 2.499 419 S HA 0.373 4.841 4.470 -0.002 0.000 0.279 419 S C -1.465 173.233 174.600 0.163 0.000 1.219 419 S CA -1.314 57.049 58.200 0.271 0.000 1.062 419 S CB 1.162 64.680 63.200 0.531 0.000 0.978 419 S HN 0.495 nan 8.310 nan 0.000 0.489 420 P HA -0.041 nan 4.420 nan 0.000 0.239 420 P C 0.093 177.214 177.300 -0.297 0.000 1.184 420 P CA 0.694 63.642 63.100 -0.252 0.000 0.760 420 P CB -0.330 31.129 31.700 -0.401 0.000 0.884 421 Y N -1.961 118.333 120.300 -0.010 0.000 2.529 421 Y HA 0.107 4.656 4.550 -0.002 0.000 0.290 421 Y C 0.930 176.591 175.900 -0.397 0.000 1.177 421 Y CA 0.107 58.077 58.100 -0.216 0.000 1.305 421 Y CB -0.342 37.927 38.460 -0.319 0.000 1.047 421 Y HN -0.070 nan 8.280 nan 0.000 0.522 422 Y N -0.963 119.455 120.300 0.195 0.000 2.662 422 Y HA 0.366 4.914 4.550 -0.002 0.000 0.335 422 Y C -0.255 175.697 175.900 0.086 0.000 1.066 422 Y CA -2.087 56.114 58.100 0.169 0.000 1.116 422 Y CB 0.670 39.249 38.460 0.197 0.000 1.308 422 Y HN -0.253 nan 8.280 nan 0.000 0.502 423 D N -0.050 120.499 120.400 0.247 0.000 2.390 423 D HA 0.114 4.753 4.640 -0.002 0.000 0.249 423 D C 0.453 176.834 176.300 0.136 0.000 1.144 423 D CA 0.134 54.215 54.000 0.135 0.000 0.880 423 D CB 0.968 41.821 40.800 0.089 0.000 1.182 423 D HN 0.518 nan 8.370 nan 0.000 0.451 424 S N 1.912 117.671 115.700 0.098 0.000 2.881 424 S HA -0.052 4.417 4.470 -0.002 0.000 0.228 424 S C 0.752 175.399 174.600 0.078 0.000 0.965 424 S CA -0.583 57.669 58.200 0.086 0.000 0.998 424 S CB -0.351 62.887 63.200 0.063 0.000 0.795 424 S HN 0.343 nan 8.310 nan 0.000 0.518 425 L N 2.365 123.639 121.223 0.084 0.000 2.791 425 L HA 0.191 4.530 4.340 -0.002 0.000 0.276 425 L C 0.742 177.655 176.870 0.071 0.000 1.136 425 L CA -0.114 54.774 54.840 0.081 0.000 1.008 425 L CB -1.018 41.098 42.059 0.095 0.000 1.348 425 L HN 0.343 nan 8.230 nan 0.000 0.476 426 L N 5.138 126.403 121.223 0.069 0.000 2.034 426 L HA 0.075 4.414 4.340 -0.002 0.000 0.203 426 L C 0.318 177.234 176.870 0.077 0.000 1.074 426 L CA 0.841 55.717 54.840 0.060 0.000 0.748 426 L CB -0.238 41.861 42.059 0.067 0.000 0.905 426 L HN 0.569 nan 8.230 nan 0.000 0.439 427 V N -3.084 116.893 119.914 0.105 0.000 2.888 427 V HA 0.365 4.484 4.120 -0.002 0.000 0.309 427 V C -0.707 175.447 176.094 0.099 0.000 1.114 427 V CA -1.111 61.261 62.300 0.121 0.000 0.940 427 V CB 1.872 33.808 31.823 0.189 0.000 1.021 427 V HN 0.071 nan 8.190 nan 0.000 0.426 428 K N 3.438 123.891 120.400 0.088 0.000 2.264 428 K HA 0.586 4.905 4.320 -0.002 0.000 0.277 428 K C -1.436 175.197 176.600 0.056 0.000 1.067 428 K CA -0.610 55.717 56.287 0.067 0.000 0.900 428 K CB 1.431 33.972 32.500 0.068 0.000 1.124 428 K HN 0.768 nan 8.250 nan 0.000 0.469 429 L N 3.200 124.451 121.223 0.046 0.000 2.272 429 L HA 0.386 4.725 4.340 -0.002 0.000 0.289 429 L C -1.219 175.662 176.870 0.019 0.000 1.032 429 L CA 0.270 55.132 54.840 0.035 0.000 0.810 429 L CB 1.691 43.771 42.059 0.036 0.000 1.205 429 L HN 0.466 nan 8.230 nan 0.000 0.422 430 S N 2.640 118.345 115.700 0.010 0.000 2.647 430 S HA 0.724 5.193 4.470 -0.002 0.000 0.300 430 S C -0.471 174.131 174.600 0.004 0.000 1.129 430 S CA -0.550 57.652 58.200 0.004 0.000 1.029 430 S CB 1.454 64.641 63.200 -0.022 0.000 1.007 430 S HN 0.833 nan 8.310 nan 0.000 0.484 431 T N 0.498 115.066 114.554 0.023 0.000 2.932 431 T HA 0.766 5.115 4.350 -0.002 0.000 0.289 431 T C -1.038 173.715 174.700 0.089 0.000 1.039 431 T CA -0.706 61.406 62.100 0.020 0.000 1.024 431 T CB 1.653 70.520 68.868 -0.001 0.000 1.090 431 T HN 0.661 nan 8.240 nan 0.000 0.496 432 H N -0.066 118.951 119.070 -0.088 0.000 3.042 432 H HA 0.703 5.258 4.556 -0.002 0.000 0.345 432 H C -1.281 173.991 175.328 -0.094 0.000 1.052 432 H CA 0.106 56.110 56.048 -0.073 0.000 1.311 432 H CB 1.198 30.899 29.762 -0.102 0.000 1.810 432 H HN 1.176 nan 8.280 nan 0.000 0.505 433 A N 3.427 126.033 122.820 -0.356 0.000 2.586 433 A HA 0.410 4.729 4.320 -0.002 0.000 0.290 433 A C 0.290 177.809 177.584 -0.109 0.000 1.086 433 A CA -0.295 51.554 52.037 -0.313 0.000 0.665 433 A CB 0.161 19.092 19.000 -0.116 0.000 1.279 433 A HN 0.622 nan 8.150 nan 0.000 0.423 434 I N -0.004 120.538 120.570 -0.045 0.000 2.700 434 I HA 0.055 4.224 4.170 -0.002 0.000 0.261 434 I C 0.916 177.150 176.117 0.194 0.000 1.219 434 I CA 1.332 62.665 61.300 0.054 0.000 1.463 434 I CB -0.941 37.082 38.000 0.037 0.000 1.092 434 I HN 0.551 nan 8.210 nan 0.000 0.452 435 S N -0.886 114.922 115.700 0.179 0.000 2.526 435 S HA 0.471 4.939 4.470 -0.002 0.000 0.293 435 S C 0.474 175.160 174.600 0.144 0.000 1.092 435 S CA -0.806 57.513 58.200 0.198 0.000 0.980 435 S CB 1.413 64.655 63.200 0.071 0.000 1.048 435 S HN 0.157 nan 8.310 nan 0.000 0.483 436 F N 3.690 123.495 119.950 -0.242 0.000 2.063 436 F HA -0.194 4.332 4.527 -0.002 0.000 0.298 436 F C 2.408 178.122 175.800 -0.143 0.000 1.109 436 F CA 2.444 60.252 58.000 -0.320 0.000 1.212 436 F CB -0.353 38.256 39.000 -0.651 0.000 0.973 436 F HN 0.761 nan 8.300 nan 0.000 0.480 437 K N 0.354 120.600 120.400 -0.257 0.000 2.009 437 K HA -0.250 4.069 4.320 -0.002 0.000 0.210 437 K C 1.972 178.449 176.600 -0.206 0.000 1.049 437 K CA 1.909 58.026 56.287 -0.285 0.000 0.929 437 K CB -1.403 31.023 32.500 -0.124 0.000 0.714 437 K HN 0.463 nan 8.250 nan 0.000 0.440 438 Q N 0.576 120.312 119.800 -0.107 0.000 2.096 438 Q HA -0.109 4.230 4.340 -0.002 0.000 0.204 438 Q C 2.314 178.262 176.000 -0.087 0.000 0.982 438 Q CA 1.829 57.590 55.803 -0.070 0.000 0.850 438 Q CB -0.308 28.415 28.738 -0.025 0.000 0.901 438 Q HN 0.547 nan 8.270 nan 0.000 0.422 439 A N 1.063 123.826 122.820 -0.095 0.000 1.902 439 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 439 A C 1.990 179.494 177.584 -0.133 0.000 1.181 439 A CA 1.482 53.472 52.037 -0.079 0.000 0.623 439 A CB -0.492 18.517 19.000 0.015 0.000 0.818 439 A HN 0.319 nan 8.150 nan 0.000 0.443 440 E N 0.371 120.403 120.200 -0.281 0.000 2.110 440 E HA -0.204 4.145 4.350 -0.002 0.000 0.193 440 E C 1.747 178.267 176.600 -0.134 0.000 0.988 440 E CA 1.509 57.759 56.400 -0.249 0.000 0.804 440 E CB -0.203 29.232 29.700 -0.442 0.000 0.745 440 E HN 0.765 nan 8.360 nan 0.000 0.458 441 E N 0.114 120.240 120.200 -0.123 0.000 2.204 441 E HA -0.107 4.242 4.350 -0.002 0.000 0.194 441 E C 2.160 178.728 176.600 -0.054 0.000 0.989 441 E CA 0.679 57.034 56.400 -0.075 0.000 0.824 441 E CB 0.110 29.773 29.700 -0.062 0.000 0.756 441 E HN 0.156 nan 8.360 nan 0.000 0.477 442 K N 0.141 120.509 120.400 -0.054 0.000 2.062 442 K HA -0.101 4.218 4.320 -0.002 0.000 0.205 442 K C 2.117 178.695 176.600 -0.036 0.000 1.051 442 K CA 0.979 57.242 56.287 -0.038 0.000 0.941 442 K CB -0.070 32.403 32.500 -0.045 0.000 0.719 442 K HN 0.040 nan 8.250 nan 0.000 0.440 443 M N 0.976 120.550 119.600 -0.043 0.000 2.067 443 M HA -0.134 4.345 4.480 -0.002 0.000 0.260 443 M C 2.014 178.288 176.300 -0.044 0.000 1.069 443 M CA 1.392 56.670 55.300 -0.037 0.000 1.117 443 M CB -0.444 32.135 32.600 -0.035 0.000 1.334 443 M HN -0.011 nan 8.290 nan 0.000 0.407 444 V N 0.482 120.364 119.914 -0.053 0.000 2.407 444 V HA -0.263 3.856 4.120 -0.002 0.000 0.248 444 V C 2.525 178.595 176.094 -0.041 0.000 1.055 444 V CA 2.462 64.729 62.300 -0.054 0.000 1.049 444 V CB -0.647 31.141 31.823 -0.058 0.000 0.662 444 V HN 0.685 nan 8.190 nan 0.000 0.455 445 R N -0.581 119.898 120.500 -0.034 0.000 2.066 445 R HA -0.117 4.222 4.340 -0.002 0.000 0.232 445 R C 2.436 178.722 176.300 -0.023 0.000 1.131 445 R CA 2.000 58.085 56.100 -0.026 0.000 0.955 445 R CB -0.526 29.762 30.300 -0.020 0.000 0.851 445 R HN 0.547 nan 8.270 nan 0.000 0.432 446 S N 1.097 116.784 115.700 -0.022 0.000 2.356 446 S HA -0.089 4.380 4.470 -0.002 0.000 0.223 446 S C 1.933 176.521 174.600 -0.019 0.000 1.032 446 S CA 1.304 59.493 58.200 -0.018 0.000 1.005 446 S CB -0.185 63.007 63.200 -0.013 0.000 0.867 446 S HN 0.278 nan 8.310 nan 0.000 0.449 447 L N 0.711 121.921 121.223 -0.021 0.000 2.042 447 L HA -0.118 4.221 4.340 -0.002 0.000 0.210 447 L C 2.682 179.540 176.870 -0.021 0.000 1.076 447 L CA 1.332 56.161 54.840 -0.019 0.000 0.749 447 L CB -0.398 41.643 42.059 -0.031 0.000 0.893 447 L HN 0.194 nan 8.230 nan 0.000 0.432 448 R N -0.295 120.189 120.500 -0.026 0.000 2.096 448 R HA -0.152 4.187 4.340 -0.002 0.000 0.235 448 R C 2.220 178.506 176.300 -0.023 0.000 1.127 448 R CA 1.252 57.337 56.100 -0.024 0.000 0.968 448 R CB -0.116 30.169 30.300 -0.025 0.000 0.861 448 R HN 0.431 nan 8.270 nan 0.000 0.440 449 E N -0.114 120.070 120.200 -0.026 0.000 2.107 449 E HA -0.049 4.300 4.350 -0.002 0.000 0.191 449 E C 0.334 176.909 176.600 -0.042 0.000 0.982 449 E CA 0.412 56.794 56.400 -0.031 0.000 0.809 449 E CB 0.133 29.815 29.700 -0.030 0.000 0.756 449 E HN 0.217 nan 8.360 nan 0.000 0.459 450 M N 1.875 121.449 119.600 -0.043 0.000 2.248 450 M HA 0.048 4.527 4.480 -0.002 0.000 0.345 450 M C 0.076 176.353 176.300 -0.039 0.000 1.243 450 M CA 0.857 56.121 55.300 -0.059 0.000 1.090 450 M CB 0.392 32.970 32.600 -0.036 0.000 1.683 450 M HN -0.035 nan 8.290 nan 0.000 0.450 451 R N 3.885 124.354 120.500 -0.052 0.000 2.575 451 R HA 0.572 4.911 4.340 -0.002 0.000 0.292 451 R C -1.771 174.533 176.300 0.007 0.000 1.246 451 R CA -0.451 55.638 56.100 -0.018 0.000 0.973 451 R CB 0.235 30.521 30.300 -0.022 0.000 1.187 451 R HN 0.635 nan 8.270 nan 0.000 0.478 452 I N 2.713 123.312 120.570 0.049 0.000 2.359 452 I HA 0.500 4.668 4.170 -0.002 0.000 0.294 452 I C 0.122 176.277 176.117 0.064 0.000 0.987 452 I CA -0.867 60.493 61.300 0.101 0.000 1.225 452 I CB 1.609 39.699 38.000 0.150 0.000 1.366 452 I HN 0.411 nan 8.210 nan 0.000 0.466 453 R N 2.934 123.473 120.500 0.065 0.000 2.725 453 R HA 0.665 5.004 4.340 -0.002 0.000 0.277 453 R C 0.401 176.727 176.300 0.043 0.000 0.987 453 R CA -0.253 55.874 56.100 0.045 0.000 0.901 453 R CB 2.047 32.371 30.300 0.040 0.000 1.207 453 R HN 0.890 nan 8.270 nan 0.000 0.463 454 G N 0.221 109.040 108.800 0.031 0.000 2.284 454 G HA2 -0.243 3.716 3.960 -0.002 0.000 0.216 454 G HA3 -0.243 3.716 3.960 -0.002 0.000 0.216 454 G C -0.393 174.511 174.900 0.008 0.000 1.009 454 G CA 0.014 45.129 45.100 0.025 0.000 0.625 454 G HN 0.705 nan 8.290 nan 0.000 0.501 455 V N -2.038 117.880 119.914 0.007 0.000 2.971 455 V HA 0.856 4.975 4.120 -0.002 0.000 0.309 455 V C -0.289 175.804 176.094 -0.002 0.000 1.130 455 V CA -1.782 60.517 62.300 -0.002 0.000 0.964 455 V CB 1.720 33.539 31.823 -0.005 0.000 1.029 455 V HN 0.272 nan 8.190 nan 0.000 0.427 456 K N 2.227 122.618 120.400 -0.016 0.000 2.326 456 K HA 0.644 4.963 4.320 -0.002 0.000 0.275 456 K C 0.431 177.017 176.600 -0.023 0.000 1.018 456 K CA 0.342 56.614 56.287 -0.025 0.000 0.962 456 K CB 0.910 33.382 32.500 -0.046 0.000 0.953 456 K HN 1.147 nan 8.250 nan 0.000 0.475 457 T N -2.014 112.528 114.554 -0.019 0.000 2.887 457 T HA 0.281 4.630 4.350 -0.002 0.000 0.292 457 T C 0.459 175.151 174.700 -0.014 0.000 1.087 457 T CA -1.046 61.053 62.100 -0.002 0.000 1.009 457 T CB 1.001 69.886 68.868 0.029 0.000 1.203 457 T HN 0.539 nan 8.240 nan 0.000 0.518 458 N N 0.208 118.921 118.700 0.023 0.000 2.398 458 N HA 0.062 4.801 4.740 -0.002 0.000 0.188 458 N C 1.401 176.985 175.510 0.124 0.000 1.122 458 N CA 0.004 53.096 53.050 0.070 0.000 0.866 458 N CB -0.704 37.870 38.487 0.145 0.000 0.970 458 N HN 0.710 nan 8.380 nan 0.000 0.462 459 I N 1.202 121.813 120.570 0.069 0.000 2.118 459 I HA -0.209 3.960 4.170 -0.002 0.000 0.241 459 I C -0.646 175.490 176.117 0.032 0.000 1.070 459 I CA 1.535 62.863 61.300 0.046 0.000 1.327 459 I CB -1.240 36.778 38.000 0.029 0.000 1.034 459 I HN 0.102 nan 8.210 nan 0.000 0.405 460 P HA -0.178 nan 4.420 nan 0.000 0.222 460 P C 1.479 178.798 177.300 0.031 0.000 1.147 460 P CA 1.277 64.387 63.100 0.017 0.000 0.790 460 P CB -0.075 31.636 31.700 0.019 0.000 0.780 461 F N 0.182 120.084 119.950 -0.081 0.000 2.118 461 F HA -0.045 4.480 4.527 -0.002 0.000 0.293 461 F C 1.931 177.666 175.800 -0.108 0.000 1.102 461 F CA 1.254 59.192 58.000 -0.104 0.000 1.247 461 F CB -0.917 38.045 39.000 -0.064 0.000 1.017 461 F HN -0.296 nan 8.300 nan 0.000 0.475 462 L N 0.155 121.298 121.223 -0.133 0.000 2.042 462 L HA -0.245 4.094 4.340 -0.002 0.000 0.210 462 L C 2.471 179.173 176.870 -0.279 0.000 1.076 462 L CA 1.438 56.127 54.840 -0.251 0.000 0.749 462 L CB -0.758 41.263 42.059 -0.065 0.000 0.893 462 L HN 0.193 nan 8.230 nan 0.000 0.432 463 I N -0.157 120.308 120.570 -0.175 0.000 2.151 463 I HA -0.353 3.816 4.170 -0.002 0.000 0.243 463 I C 2.276 178.277 176.117 -0.194 0.000 1.080 463 I CA 1.539 62.749 61.300 -0.149 0.000 1.339 463 I CB -0.506 37.441 38.000 -0.087 0.000 1.039 463 I HN 0.379 nan 8.210 nan 0.000 0.409 464 N N 0.350 118.903 118.700 -0.245 0.000 2.244 464 N HA -0.121 4.618 4.740 -0.002 0.000 0.183 464 N C 1.934 177.252 175.510 -0.319 0.000 1.016 464 N CA 1.167 54.064 53.050 -0.254 0.000 0.866 464 N CB 0.098 38.433 38.487 -0.254 0.000 0.980 464 N HN 0.188 nan 8.380 nan 0.000 0.430 465 V N 1.871 121.481 119.914 -0.507 0.000 2.261 465 V HA -0.219 3.900 4.120 -0.002 0.000 0.246 465 V C 2.452 178.309 176.094 -0.395 0.000 1.047 465 V CA 1.325 63.337 62.300 -0.480 0.000 1.015 465 V CB -0.337 31.081 31.823 -0.675 0.000 0.642 465 V HN 0.273 nan 8.190 nan 0.000 0.446 466 M N -0.582 118.784 119.600 -0.390 0.000 2.159 466 M HA -0.101 4.377 4.480 -0.002 0.000 0.263 466 M C 2.034 178.316 176.300 -0.030 0.000 1.063 466 M CA 1.513 56.669 55.300 -0.240 0.000 1.110 466 M CB -1.195 31.300 32.600 -0.175 0.000 1.374 466 M HN 0.204 nan 8.290 nan 0.000 0.411 467 K N 0.520 120.882 120.400 -0.063 0.000 2.366 467 K HA 0.069 4.388 4.320 -0.002 0.000 0.198 467 K C 0.686 177.307 176.600 0.034 0.000 1.044 467 K CA 0.014 56.291 56.287 -0.016 0.000 0.973 467 K CB -0.532 31.944 32.500 -0.040 0.000 0.767 467 K HN 0.395 nan 8.250 nan 0.000 0.475 468 N N 1.623 120.361 118.700 0.063 0.000 2.513 468 N HA -0.027 4.712 4.740 -0.002 0.000 0.268 468 N C 0.516 176.127 175.510 0.168 0.000 1.180 468 N CA 0.213 53.341 53.050 0.130 0.000 0.948 468 N CB 0.865 39.480 38.487 0.213 0.000 1.083 468 N HN -0.038 nan 8.380 nan 0.000 0.455 469 K N 3.143 123.622 120.400 0.132 0.000 2.044 469 K HA -0.179 4.140 4.320 -0.002 0.000 0.210 469 K C 1.585 178.248 176.600 0.104 0.000 1.049 469 K CA 1.642 57.990 56.287 0.102 0.000 0.927 469 K CB 0.056 32.606 32.500 0.082 0.000 0.713 469 K HN 0.561 nan 8.250 nan 0.000 0.443 470 K N 0.121 120.605 120.400 0.140 0.000 2.147 470 K HA -0.142 4.177 4.320 -0.002 0.000 0.205 470 K C 2.018 178.577 176.600 -0.069 0.000 1.049 470 K CA 1.339 57.672 56.287 0.077 0.000 0.936 470 K CB -0.204 32.433 32.500 0.228 0.000 0.722 470 K HN 0.137 nan 8.250 nan 0.000 0.446 471 F N 2.211 121.971 119.950 -0.317 0.000 2.163 471 F HA -0.185 4.341 4.527 -0.002 0.000 0.297 471 F C 2.268 178.153 175.800 0.141 0.000 1.094 471 F CA 1.575 59.374 58.000 -0.335 0.000 1.290 471 F CB -0.264 38.495 39.000 -0.403 0.000 1.017 471 F HN -0.016 nan 8.300 nan 0.000 0.483 472 T N -1.750 112.841 114.554 0.062 0.000 2.962 472 T HA -0.152 4.197 4.350 -0.002 0.000 0.270 472 T C 2.092 176.852 174.700 0.099 0.000 1.088 472 T CA 1.067 63.230 62.100 0.106 0.000 1.127 472 T CB -0.927 67.983 68.868 0.070 0.000 0.883 472 T HN 0.416 nan 8.240 nan 0.000 0.493 473 S N 1.155 116.848 115.700 -0.011 0.000 2.428 473 S HA 0.302 4.771 4.470 -0.002 0.000 0.230 473 S C 2.196 176.656 174.600 -0.234 0.000 1.014 473 S CA 0.690 58.840 58.200 -0.083 0.000 0.957 473 S CB -0.914 62.250 63.200 -0.059 0.000 0.784 473 S HN 1.136 nan 8.310 nan 0.000 0.499 474 G N 1.076 109.680 108.800 -0.326 0.000 2.179 474 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.260 474 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.260 474 G C -0.022 174.473 174.900 -0.674 0.000 0.977 474 G CA 0.298 45.001 45.100 -0.661 0.000 0.641 474 G HN 0.546 nan 8.290 nan 0.000 0.533 475 D N 0.353 120.531 120.400 -0.370 0.000 2.690 475 D HA 0.374 5.013 4.640 -0.002 0.000 0.236 475 D C 0.734 176.927 176.300 -0.178 0.000 1.218 475 D CA -0.153 53.690 54.000 -0.262 0.000 0.829 475 D CB -0.475 40.249 40.800 -0.127 0.000 1.009 475 D HN 0.720 nan 8.370 nan 0.000 0.482 476 Y N -1.398 118.817 120.300 -0.142 0.000 2.352 476 Y HA 0.614 5.163 4.550 -0.002 0.000 0.326 476 Y C 0.819 176.728 175.900 0.014 0.000 1.166 476 Y CA -1.200 56.845 58.100 -0.092 0.000 1.182 476 Y CB 0.647 38.937 38.460 -0.284 0.000 1.216 476 Y HN -0.160 nan 8.280 nan 0.000 0.474 477 T N -2.970 111.761 114.554 0.296 0.000 2.905 477 T HA 0.255 4.604 4.350 -0.002 0.000 0.283 477 T C 0.998 175.897 174.700 0.330 0.000 1.031 477 T CA -0.226 62.024 62.100 0.250 0.000 1.002 477 T CB 0.988 69.957 68.868 0.168 0.000 1.200 477 T HN 0.849 nan 8.240 nan 0.000 0.560 478 T N -1.581 113.128 114.554 0.258 0.000 3.098 478 T HA 0.020 4.369 4.350 -0.002 0.000 0.266 478 T C 1.297 176.131 174.700 0.222 0.000 1.145 478 T CA 0.378 62.624 62.100 0.244 0.000 1.092 478 T CB -0.358 68.639 68.868 0.214 0.000 0.908 478 T HN 0.494 nan 8.240 nan 0.000 0.526 479 K N 0.100 120.637 120.400 0.228 0.000 2.426 479 K HA 0.183 4.502 4.320 -0.002 0.000 0.193 479 K C 1.450 178.178 176.600 0.213 0.000 1.028 479 K CA -0.043 56.360 56.287 0.193 0.000 1.047 479 K CB -0.439 32.167 32.500 0.177 0.000 0.821 479 K HN 0.477 nan 8.250 nan 0.000 0.513 480 F N 2.357 122.387 119.950 0.132 0.000 2.043 480 F HA -0.233 4.293 4.527 -0.002 0.000 0.297 480 F C 1.871 177.725 175.800 0.090 0.000 1.121 480 F CA 1.435 59.508 58.000 0.121 0.000 1.199 480 F CB -0.480 38.604 39.000 0.140 0.000 0.968 480 F HN -0.142 nan 8.300 nan 0.000 0.478 481 I N 0.848 121.205 120.570 -0.355 0.000 2.163 481 I HA -0.308 3.861 4.170 -0.002 0.000 0.243 481 I C 2.572 178.607 176.117 -0.137 0.000 1.085 481 I CA 2.036 63.078 61.300 -0.429 0.000 1.347 481 I CB -0.773 37.146 38.000 -0.136 0.000 1.044 481 I HN 0.410 nan 8.210 nan 0.000 0.408 482 E N 1.053 121.241 120.200 -0.019 0.000 2.152 482 E HA -0.222 4.127 4.350 -0.002 0.000 0.192 482 E C 1.660 178.287 176.600 0.044 0.000 0.983 482 E CA 1.024 57.449 56.400 0.042 0.000 0.818 482 E CB -0.322 29.396 29.700 0.030 0.000 0.758 482 E HN 0.546 nan 8.360 nan 0.000 0.467 483 E N 0.672 120.891 120.200 0.032 0.000 2.358 483 E HA 0.002 4.351 4.350 -0.002 0.000 0.195 483 E C -0.086 176.538 176.600 0.041 0.000 1.010 483 E CA 0.710 57.144 56.400 0.057 0.000 0.856 483 E CB 0.337 30.097 29.700 0.101 0.000 0.795 483 E HN 0.135 nan 8.360 nan 0.000 0.504 484 T N 2.673 117.208 114.554 -0.031 0.000 2.929 484 T HA 0.129 4.478 4.350 -0.002 0.000 0.331 484 T C -2.006 172.710 174.700 0.027 0.000 1.120 484 T CA -1.441 60.627 62.100 -0.052 0.000 0.973 484 T CB 1.385 70.100 68.868 -0.255 0.000 1.036 484 T HN 0.021 nan 8.240 nan 0.000 0.502 485 P HA -0.019 nan 4.420 nan 0.000 0.231 485 P C 1.241 178.663 177.300 0.204 0.000 1.168 485 P CA 0.517 63.743 63.100 0.210 0.000 0.779 485 P CB 0.392 32.170 31.700 0.130 0.000 0.844 486 E N 0.622 120.871 120.200 0.081 0.000 2.511 486 E HA -0.029 4.320 4.350 -0.002 0.000 0.196 486 E C 1.596 178.179 176.600 -0.029 0.000 1.066 486 E CA 0.268 56.694 56.400 0.045 0.000 0.871 486 E CB -0.804 28.913 29.700 0.029 0.000 0.863 486 E HN 0.308 nan 8.360 nan 0.000 0.520 487 L N -0.412 120.723 121.223 -0.146 0.000 2.376 487 L HA 0.041 4.380 4.340 -0.002 0.000 0.219 487 L C 1.224 177.894 176.870 -0.333 0.000 1.133 487 L CA 0.733 55.354 54.840 -0.366 0.000 0.816 487 L CB -0.309 41.377 42.059 -0.621 0.000 0.933 487 L HN 0.031 nan 8.230 nan 0.000 0.449 488 F N -1.526 118.506 119.950 0.136 0.000 2.641 488 F HA 0.101 4.627 4.527 -0.002 0.000 0.302 488 F C 1.071 176.905 175.800 0.058 0.000 1.098 488 F CA -0.364 57.711 58.000 0.125 0.000 1.318 488 F CB 0.065 39.120 39.000 0.092 0.000 1.035 488 F HN -0.037 nan 8.300 nan 0.000 0.551 489 D N 2.609 123.093 120.400 0.141 0.000 2.545 489 D HA 0.126 4.765 4.640 -0.002 0.000 0.227 489 D C -0.277 176.056 176.300 0.056 0.000 1.150 489 D CA 0.342 54.392 54.000 0.083 0.000 1.046 489 D CB -0.171 40.658 40.800 0.048 0.000 1.098 489 D HN 0.227 nan 8.370 nan 0.000 0.502 490 I N 2.633 123.244 120.570 0.070 0.000 2.406 490 I HA 0.133 4.302 4.170 -0.002 0.000 0.290 490 I C -0.163 175.970 176.117 0.026 0.000 0.999 490 I CA -0.886 60.441 61.300 0.044 0.000 1.124 490 I CB 1.886 39.920 38.000 0.057 0.000 1.289 490 I HN 0.005 nan 8.210 nan 0.000 0.441 491 Q N 7.060 126.868 119.800 0.014 0.000 2.235 491 Q HA 0.371 4.710 4.340 -0.002 0.000 0.250 491 Q C -2.259 173.741 176.000 0.000 0.000 0.909 491 Q CA -1.624 54.183 55.803 0.007 0.000 0.910 491 Q CB 0.337 29.078 28.738 0.004 0.000 1.223 491 Q HN 0.339 nan 8.270 nan 0.000 0.432 492 P HA -0.064 nan 4.420 nan 0.000 0.259 492 P C -0.647 176.649 177.300 -0.007 0.000 1.211 492 P CA 0.128 63.223 63.100 -0.008 0.000 0.810 492 P CB 0.427 32.121 31.700 -0.011 0.000 0.815 493 S N 5.143 120.839 115.700 -0.007 0.000 2.509 493 S HA 0.136 4.604 4.470 -0.002 0.000 0.287 493 S C 0.860 175.456 174.600 -0.006 0.000 1.248 493 S CA -0.842 57.355 58.200 -0.006 0.000 1.089 493 S CB -0.416 62.781 63.200 -0.005 0.000 0.900 493 S HN 0.271 nan 8.310 nan 0.000 0.496 494 L N 2.986 124.206 121.223 -0.005 0.000 2.483 494 L HA 0.534 4.873 4.340 -0.002 0.000 0.275 494 L C 0.030 176.897 176.870 -0.004 0.000 1.220 494 L CA 0.103 54.940 54.840 -0.005 0.000 0.833 494 L CB -0.193 41.864 42.059 -0.004 0.000 1.102 494 L HN 0.591 nan 8.230 nan 0.000 0.490 495 D N 0.256 120.654 120.400 -0.002 0.000 2.584 495 D HA 0.276 4.915 4.640 -0.002 0.000 0.238 495 D C 0.672 176.974 176.300 0.004 0.000 1.302 495 D CA -0.444 53.556 54.000 -0.000 0.000 0.884 495 D CB 0.821 41.622 40.800 0.002 0.000 1.456 495 D HN 0.495 nan 8.370 nan 0.000 0.528 496 R N 1.076 121.576 120.500 0.002 0.000 2.062 496 R HA 0.177 4.516 4.340 -0.002 0.000 0.229 496 R C 2.274 178.576 176.300 0.002 0.000 1.128 496 R CA 1.624 57.727 56.100 0.005 0.000 0.960 496 R CB -0.530 29.771 30.300 0.001 0.000 0.855 496 R HN 0.448 nan 8.270 nan 0.000 0.432 497 G N -0.601 108.193 108.800 -0.010 0.000 2.513 497 G HA2 -0.308 3.651 3.960 -0.002 0.000 0.219 497 G HA3 -0.308 3.651 3.960 -0.002 0.000 0.219 497 G C 1.270 176.149 174.900 -0.036 0.000 1.160 497 G CA 1.726 46.809 45.100 -0.028 0.000 0.767 497 G HN 0.355 nan 8.290 nan 0.000 0.571 498 T N 0.567 115.113 114.554 -0.013 0.000 2.812 498 T HA -0.011 4.337 4.350 -0.002 0.000 0.264 498 T C 2.305 177.026 174.700 0.036 0.000 1.042 498 T CA 1.302 63.401 62.100 -0.002 0.000 1.140 498 T CB -0.146 68.732 68.868 0.016 0.000 0.870 498 T HN 0.298 nan 8.240 nan 0.000 0.445 499 K N 0.680 121.115 120.400 0.059 0.000 2.152 499 K HA -0.089 4.229 4.320 -0.002 0.000 0.206 499 K C 2.499 179.211 176.600 0.187 0.000 1.048 499 K CA 1.392 57.757 56.287 0.129 0.000 0.933 499 K CB -0.287 32.271 32.500 0.098 0.000 0.721 499 K HN 0.246 nan 8.250 nan 0.000 0.447 500 T N 1.703 116.310 114.554 0.088 0.000 2.777 500 T HA -0.048 4.301 4.350 -0.002 0.000 0.266 500 T C 1.791 176.517 174.700 0.044 0.000 1.040 500 T CA 0.897 63.036 62.100 0.066 0.000 1.141 500 T CB -0.103 68.766 68.868 0.002 0.000 0.868 500 T HN 0.113 nan 8.240 nan 0.000 0.444 501 L N 0.785 121.970 121.223 -0.063 0.000 2.131 501 L HA -0.081 4.258 4.340 -0.002 0.000 0.210 501 L C 2.678 179.583 176.870 0.059 0.000 1.092 501 L CA 1.295 56.020 54.840 -0.192 0.000 0.759 501 L CB -0.558 41.277 42.059 -0.374 0.000 0.903 501 L HN 0.328 nan 8.230 nan 0.000 0.435 502 E N -0.845 119.440 120.200 0.141 0.000 2.150 502 E HA -0.235 4.114 4.350 -0.002 0.000 0.193 502 E C 1.939 178.672 176.600 0.221 0.000 0.985 502 E CA 1.183 57.721 56.400 0.231 0.000 0.814 502 E CB -0.033 29.846 29.700 0.299 0.000 0.752 502 E HN 0.505 nan 8.360 nan 0.000 0.466 503 Y N 1.036 121.321 120.300 -0.025 0.000 2.176 503 Y HA -0.113 4.436 4.550 -0.002 0.000 0.291 503 Y C 2.034 177.809 175.900 -0.208 0.000 1.122 503 Y CA 1.225 59.051 58.100 -0.456 0.000 1.128 503 Y CB -0.065 38.025 38.460 -0.616 0.000 1.005 503 Y HN -0.119 nan 8.280 nan 0.000 0.509 504 I N 0.362 120.939 120.570 0.011 0.000 2.208 504 I HA -0.275 3.894 4.170 -0.002 0.000 0.245 504 I C 2.689 178.811 176.117 0.008 0.000 1.097 504 I CA 1.506 62.812 61.300 0.011 0.000 1.363 504 I CB -1.042 37.041 38.000 0.138 0.000 1.051 504 I HN 0.408 nan 8.210 nan 0.000 0.413 505 G N 0.694 109.559 108.800 0.108 0.000 2.476 505 G HA2 -0.353 3.606 3.960 -0.002 0.000 0.218 505 G HA3 -0.353 3.606 3.960 -0.002 0.000 0.218 505 G C 1.501 176.399 174.900 -0.003 0.000 1.164 505 G CA 1.248 46.415 45.100 0.111 0.000 0.768 505 G HN 0.435 nan 8.290 nan 0.000 0.560 506 N N 0.120 118.771 118.700 -0.081 0.000 2.080 506 N HA -0.107 4.632 4.740 -0.002 0.000 0.189 506 N C 2.373 177.781 175.510 -0.170 0.000 1.036 506 N CA 1.589 54.572 53.050 -0.111 0.000 0.846 506 N CB -0.094 38.326 38.487 -0.113 0.000 1.015 506 N HN 0.181 nan 8.380 nan 0.000 0.423 507 V N 1.080 120.800 119.914 -0.324 0.000 2.407 507 V HA -0.170 3.949 4.120 -0.002 0.000 0.248 507 V C 2.294 178.342 176.094 -0.075 0.000 1.055 507 V CA 1.768 63.926 62.300 -0.237 0.000 1.049 507 V CB -0.921 30.686 31.823 -0.361 0.000 0.662 507 V HN 0.394 nan 8.190 nan 0.000 0.455 508 T N 0.355 114.880 114.554 -0.049 0.000 2.746 508 T HA -0.078 4.270 4.350 -0.002 0.000 0.267 508 T C 1.770 176.477 174.700 0.012 0.000 1.039 508 T CA 1.821 63.928 62.100 0.013 0.000 1.142 508 T CB -0.175 68.708 68.868 0.025 0.000 0.866 508 T HN 0.388 nan 8.240 nan 0.000 0.444 509 I N 0.901 121.468 120.570 -0.004 0.000 2.364 509 I HA -0.005 4.164 4.170 -0.002 0.000 0.241 509 I C 2.053 178.173 176.117 0.004 0.000 1.082 509 I CA 0.798 62.101 61.300 0.004 0.000 1.401 509 I CB -0.138 37.866 38.000 0.007 0.000 1.126 509 I HN 0.094 nan 8.210 nan 0.000 0.429 510 N N 0.565 119.259 118.700 -0.010 0.000 2.325 510 N HA 0.156 4.895 4.740 -0.002 0.000 0.182 510 N C 0.790 176.294 175.510 -0.011 0.000 1.088 510 N CA 0.898 53.943 53.050 -0.009 0.000 0.879 510 N CB 0.623 39.102 38.487 -0.013 0.000 0.983 510 N HN 0.423 nan 8.380 nan 0.000 0.471 511 G N 1.001 109.793 108.800 -0.013 0.000 2.828 511 G HA2 -0.253 3.706 3.960 -0.002 0.000 0.463 511 G HA3 -0.253 3.706 3.960 -0.002 0.000 0.463 511 G C -1.051 173.864 174.900 0.025 0.000 1.394 511 G CA -0.675 44.437 45.100 0.019 0.000 0.862 511 G HN 0.179 nan 8.290 nan 0.000 0.540 512 F N 1.596 121.482 119.950 -0.105 0.000 2.450 512 F HA 0.668 5.194 4.527 -0.002 0.000 0.332 512 F C -1.334 174.453 175.800 -0.021 0.000 1.093 512 F CA -1.700 56.251 58.000 -0.081 0.000 1.003 512 F CB 1.637 40.576 39.000 -0.101 0.000 1.151 512 F HN 0.490 nan 8.300 nan 0.000 0.474 516 V N 0.401 120.299 119.914 -0.026 0.000 2.577 516 V HA 0.301 4.420 4.120 -0.002 0.000 0.303 516 V C -0.065 175.983 176.094 -0.076 0.000 1.042 516 V CA -0.661 61.526 62.300 -0.187 0.000 0.872 516 V CB 2.047 33.688 31.823 -0.303 0.000 0.998 516 V HN 0.353 nan 8.190 nan 0.000 0.423 517 E N 3.580 123.748 120.200 -0.053 0.000 2.271 517 E HA -0.029 4.320 4.350 -0.002 0.000 0.255 517 E C 0.245 176.899 176.600 0.091 0.000 1.177 517 E CA -0.351 56.061 56.400 0.020 0.000 0.946 517 E CB 0.217 29.927 29.700 0.017 0.000 1.009 517 E HN 0.491 nan 8.360 nan 0.000 0.451 518 K N 5.470 125.910 120.400 0.067 0.000 2.161 518 K HA -0.128 4.191 4.320 -0.002 0.000 0.260 518 K C -0.372 176.285 176.600 0.094 0.000 1.158 518 K CA 0.524 56.864 56.287 0.088 0.000 1.172 518 K CB -0.109 32.423 32.500 0.054 0.000 0.917 518 K HN 0.508 nan 8.250 nan 0.000 0.410 519 R N 2.686 123.275 120.500 0.149 0.000 2.846 519 R HA 0.608 4.946 4.340 -0.002 0.000 0.263 519 R C -2.439 173.903 176.300 0.071 0.000 1.080 519 R CA -1.883 54.267 56.100 0.083 0.000 0.961 519 R CB 0.016 30.345 30.300 0.049 0.000 1.231 519 R HN 0.178 nan 8.270 nan 0.000 0.465 520 P HA 0.021 nan 4.420 nan 0.000 0.269 520 P C -1.145 176.054 177.300 -0.168 0.000 1.217 520 P CA -0.365 62.703 63.100 -0.054 0.000 0.783 520 P CB 0.415 32.069 31.700 -0.077 0.000 0.898 521 K N 2.914 123.213 120.400 -0.167 0.000 2.366 521 K HA 0.093 4.412 4.320 -0.002 0.000 0.279 521 K C -2.168 174.152 176.600 -0.466 0.000 1.098 521 K CA -0.920 55.169 56.287 -0.329 0.000 1.087 521 K CB -1.037 31.395 32.500 -0.114 0.000 0.901 521 K HN 0.248 nan 8.250 nan 0.000 0.463 522 P HA -0.005 nan 4.420 nan 0.000 0.269 522 P C -1.014 175.798 177.300 -0.813 0.000 1.209 522 P CA -0.289 62.349 63.100 -0.769 0.000 0.776 522 P CB 0.571 31.683 31.700 -0.979 0.000 0.876 523 D N 1.550 121.630 120.400 -0.533 0.000 2.417 523 D HA 0.079 4.718 4.640 -0.002 0.000 0.250 523 D C -1.087 174.938 176.300 -0.459 0.000 1.166 523 D CA 0.468 54.249 54.000 -0.365 0.000 0.881 523 D CB -0.016 40.669 40.800 -0.192 0.000 1.164 523 D HN 0.236 nan 8.370 nan 0.000 0.467 524 Y N 1.366 121.660 120.300 -0.010 0.000 2.485 524 Y HA 0.292 4.841 4.550 -0.002 0.000 0.345 524 Y C 0.625 176.555 175.900 0.050 0.000 0.998 524 Y CA -1.164 56.969 58.100 0.054 0.000 1.059 524 Y CB 1.512 40.050 38.460 0.130 0.000 1.234 524 Y HN 0.255 nan 8.280 nan 0.000 0.461 525 E N 2.521 122.860 120.200 0.231 0.000 2.338 525 E HA 0.082 4.431 4.350 -0.002 0.000 0.272 525 E C -0.778 175.902 176.600 0.134 0.000 1.029 525 E CA -0.583 55.897 56.400 0.133 0.000 0.872 525 E CB 1.064 30.817 29.700 0.089 0.000 1.015 525 E HN 0.311 nan 8.360 nan 0.000 0.417 526 L N 2.550 123.830 121.223 0.095 0.000 2.499 526 L HA 0.060 4.399 4.340 -0.002 0.000 0.273 526 L C -0.085 176.827 176.870 0.070 0.000 1.195 526 L CA 0.543 55.433 54.840 0.083 0.000 0.882 526 L CB 0.223 42.318 42.059 0.059 0.000 1.133 526 L HN 0.568 nan 8.230 nan 0.000 0.483 527 A N 3.899 126.765 122.820 0.077 0.000 2.309 527 A HA 0.488 4.807 4.320 -0.002 0.000 0.298 527 A C 0.258 177.894 177.584 0.088 0.000 1.165 527 A CA -0.441 51.638 52.037 0.069 0.000 0.821 527 A CB 0.416 19.442 19.000 0.043 0.000 1.102 527 A HN 0.805 nan 8.150 nan 0.000 0.500 528 S N 2.874 118.626 115.700 0.086 0.000 2.642 528 S HA 0.434 4.903 4.470 -0.002 0.000 0.309 528 S C -0.224 174.434 174.600 0.096 0.000 1.125 528 S CA -0.369 57.873 58.200 0.071 0.000 1.055 528 S CB -0.554 62.670 63.200 0.041 0.000 1.157 528 S HN 0.469 nan 8.310 nan 0.000 0.513 529 I N 4.161 124.787 120.570 0.092 0.000 2.483 529 I HA 0.189 4.358 4.170 -0.002 0.000 0.291 529 I C -2.046 174.049 176.117 -0.035 0.000 1.112 529 I CA -1.790 59.534 61.300 0.040 0.000 1.350 529 I CB -0.252 37.769 38.000 0.036 0.000 1.419 529 I HN 0.328 nan 8.210 nan 0.000 0.523 530 P HA 0.140 nan 4.420 nan 0.000 0.268 530 P C -0.425 176.832 177.300 -0.071 0.000 1.204 530 P CA 0.026 63.092 63.100 -0.057 0.000 0.768 530 P CB 0.666 32.331 31.700 -0.057 0.000 0.842 531 T N 1.678 116.211 114.554 -0.035 0.000 2.908 531 T HA 0.536 4.885 4.350 -0.002 0.000 0.290 531 T C -0.734 173.965 174.700 -0.002 0.000 1.034 531 T CA -0.436 61.650 62.100 -0.023 0.000 1.010 531 T CB 1.213 70.071 68.868 -0.017 0.000 1.068 531 T HN 0.004 nan 8.240 nan 0.000 0.481 532 V N 1.933 121.854 119.914 0.012 0.000 2.656 532 V HA 0.521 4.640 4.120 -0.002 0.000 0.307 532 V C 0.280 176.383 176.094 0.015 0.000 1.051 532 V CA -0.976 61.344 62.300 0.033 0.000 0.893 532 V CB 2.092 33.966 31.823 0.085 0.000 0.999 532 V HN 0.978 nan 8.190 nan 0.000 0.426 533 S N 2.662 118.361 115.700 -0.001 0.000 2.546 533 S HA 0.020 4.489 4.470 -0.002 0.000 0.290 533 S C 1.543 176.113 174.600 -0.050 0.000 1.290 533 S CA 0.216 58.400 58.200 -0.027 0.000 1.069 533 S CB 0.785 63.963 63.200 -0.037 0.000 0.846 533 S HN 1.080 nan 8.310 nan 0.000 0.495 534 S N 4.023 119.695 115.700 -0.046 0.000 2.402 534 S HA -0.132 4.337 4.470 -0.002 0.000 0.229 534 S C 1.984 176.525 174.600 -0.098 0.000 1.021 534 S CA 1.132 59.299 58.200 -0.056 0.000 0.974 534 S CB -0.909 62.269 63.200 -0.037 0.000 0.800 534 S HN 0.910 nan 8.310 nan 0.000 0.484 535 S N 2.500 118.141 115.700 -0.098 0.000 2.402 535 S HA -0.055 4.413 4.470 -0.002 0.000 0.229 535 S C 1.759 176.241 174.600 -0.197 0.000 1.021 535 S CA 1.115 59.242 58.200 -0.121 0.000 0.974 535 S CB -0.432 62.715 63.200 -0.088 0.000 0.800 535 S HN 0.635 nan 8.310 nan 0.000 0.484 536 K N 1.279 121.547 120.400 -0.219 0.000 2.026 536 K HA 0.011 4.330 4.320 -0.002 0.000 0.208 536 K C 0.462 176.585 176.600 -0.795 0.000 1.048 536 K CA 0.769 56.832 56.287 -0.375 0.000 0.929 536 K CB -0.370 32.000 32.500 -0.218 0.000 0.713 536 K HN 0.218 nan 8.250 nan 0.000 0.439 537 I N 3.358 123.614 120.570 -0.524 0.000 3.188 537 I HA -0.110 4.059 4.170 -0.002 0.000 0.309 537 I C -0.692 175.162 176.117 -0.439 0.000 1.161 537 I CA 1.549 62.576 61.300 -0.455 0.000 1.904 537 I CB -2.336 35.631 38.000 -0.055 0.000 1.609 537 I HN 0.300 nan 8.210 nan 0.000 0.907 538 F N 0.997 120.940 119.950 -0.012 0.000 2.184 538 F HA -0.169 4.357 4.527 -0.002 0.000 0.318 538 F C 0.101 175.888 175.800 -0.022 0.000 1.046 538 F CA -0.601 57.393 58.000 -0.010 0.000 0.912 538 F CB -0.519 38.480 39.000 -0.001 0.000 4.133 538 F HN 0.260 nan 8.300 nan 0.000 0.138 539 S N 1.401 117.218 115.700 0.195 0.000 2.653 539 S HA 0.717 5.186 4.470 -0.002 0.000 0.272 539 S C -0.175 174.434 174.600 0.016 0.000 1.221 539 S CA 0.279 58.518 58.200 0.066 0.000 1.149 539 S CB 0.715 63.936 63.200 0.034 0.000 1.029 539 S HN 1.125 nan 8.310 nan 0.000 0.481 540 G N 1.562 110.357 108.800 -0.009 0.000 2.795 540 G HA2 0.401 4.359 3.960 -0.002 0.000 0.267 540 G HA3 0.401 4.359 3.960 -0.002 0.000 0.267 540 G C 1.072 175.880 174.900 -0.154 0.000 1.362 540 G CA 0.070 45.135 45.100 -0.058 0.000 1.048 540 G HN 0.724 nan 8.290 nan 0.000 0.547 541 T N -1.725 112.717 114.554 -0.186 0.000 3.007 541 T HA -0.031 4.318 4.350 -0.002 0.000 0.270 541 T C 1.916 176.471 174.700 -0.241 0.000 1.107 541 T CA 1.200 63.124 62.100 -0.293 0.000 1.118 541 T CB 0.011 68.719 68.868 -0.267 0.000 0.889 541 T HN 0.300 nan 8.240 nan 0.000 0.506 542 K N 1.032 121.326 120.400 -0.177 0.000 2.001 542 K HA -0.089 4.230 4.320 -0.002 0.000 0.208 542 K C 2.479 178.990 176.600 -0.149 0.000 1.048 542 K CA 1.261 57.449 56.287 -0.164 0.000 0.932 542 K CB -0.235 32.171 32.500 -0.156 0.000 0.715 542 K HN 0.415 nan 8.250 nan 0.000 0.437 543 Q N 0.909 120.631 119.800 -0.129 0.000 2.124 543 Q HA -0.171 4.168 4.340 -0.002 0.000 0.202 543 Q C 2.228 178.148 176.000 -0.133 0.000 0.977 543 Q CA 0.829 56.565 55.803 -0.111 0.000 0.850 543 Q CB -0.813 27.875 28.738 -0.082 0.000 0.901 543 Q HN 0.220 nan 8.270 nan 0.000 0.429 544 L N 0.804 121.912 121.223 -0.192 0.000 2.013 544 L HA -0.205 4.134 4.340 -0.002 0.000 0.212 544 L C 2.251 179.019 176.870 -0.170 0.000 1.073 544 L CA 1.499 56.194 54.840 -0.241 0.000 0.753 544 L CB -0.810 40.988 42.059 -0.434 0.000 0.890 544 L HN 0.259 nan 8.230 nan 0.000 0.432 545 L N -0.530 120.600 121.223 -0.156 0.000 2.017 545 L HA -0.222 4.117 4.340 -0.002 0.000 0.208 545 L C 1.962 178.782 176.870 -0.084 0.000 1.073 545 L CA 2.035 56.809 54.840 -0.110 0.000 0.745 545 L CB -0.989 41.001 42.059 -0.114 0.000 0.894 545 L HN 0.325 nan 8.230 nan 0.000 0.432 546 D N -0.518 119.828 120.400 -0.089 0.000 2.263 546 D HA -0.153 4.486 4.640 -0.002 0.000 0.208 546 D C 2.053 178.319 176.300 -0.057 0.000 0.971 546 D CA 0.913 54.872 54.000 -0.069 0.000 0.867 546 D CB 0.036 40.792 40.800 -0.074 0.000 0.929 546 D HN 0.514 nan 8.370 nan 0.000 0.492 547 E N -0.155 120.007 120.200 -0.064 0.000 2.057 547 E HA -0.020 4.328 4.350 -0.002 0.000 0.190 547 E C 2.022 178.601 176.600 -0.034 0.000 0.969 547 E CA 0.655 57.025 56.400 -0.049 0.000 0.812 547 E CB 0.493 30.157 29.700 -0.060 0.000 0.777 547 E HN 0.288 nan 8.360 nan 0.000 0.455 548 V N -3.047 116.845 119.914 -0.037 0.000 3.477 548 V HA 0.475 4.594 4.120 -0.002 0.000 0.297 548 V C 0.746 176.839 176.094 -0.002 0.000 1.433 548 V CA 0.430 62.724 62.300 -0.011 0.000 1.052 548 V CB 0.072 31.896 31.823 0.002 0.000 0.895 548 V HN 0.228 nan 8.190 nan 0.000 0.438 549 G N 1.667 110.455 108.800 -0.020 0.000 2.860 549 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.553 549 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.553 549 G C -1.197 173.686 174.900 -0.029 0.000 1.439 549 G CA -0.049 45.040 45.100 -0.019 0.000 0.879 549 G HN 0.342 nan 8.290 nan 0.000 0.545 550 P HA -0.101 nan 4.420 nan 0.000 0.216 550 P C 1.711 178.958 177.300 -0.087 0.000 1.153 550 P CA 1.622 64.592 63.100 -0.217 0.000 0.848 550 P CB -0.011 31.381 31.700 -0.514 0.000 0.787 551 K N -0.094 120.361 120.400 0.092 0.000 2.063 551 K HA -0.081 4.238 4.320 -0.002 0.000 0.208 551 K C 2.417 179.111 176.600 0.155 0.000 1.048 551 K CA 1.845 58.261 56.287 0.216 0.000 0.928 551 K CB -1.427 31.177 32.500 0.173 0.000 0.713 551 K HN 0.231 nan 8.250 nan 0.000 0.442 552 G N 0.541 109.405 108.800 0.107 0.000 2.448 552 G HA2 -0.131 3.828 3.960 -0.002 0.000 0.218 552 G HA3 -0.131 3.828 3.960 -0.002 0.000 0.218 552 G C 1.674 176.673 174.900 0.165 0.000 1.135 552 G CA 0.472 45.642 45.100 0.116 0.000 0.784 552 G HN 0.112 nan 8.290 nan 0.000 0.543 553 V N 1.490 121.489 119.914 0.143 0.000 2.307 553 V HA -0.110 4.009 4.120 -0.002 0.000 0.245 553 V C 3.307 179.604 176.094 0.339 0.000 1.045 553 V CA 1.931 64.364 62.300 0.221 0.000 1.024 553 V CB -0.824 31.089 31.823 0.150 0.000 0.651 553 V HN 0.440 nan 8.190 nan 0.000 0.449 554 A N -0.320 122.653 122.820 0.255 0.000 1.908 554 A HA -0.220 4.099 4.320 -0.002 0.000 0.218 554 A C 2.184 179.871 177.584 0.172 0.000 1.181 554 A CA 1.740 53.908 52.037 0.219 0.000 0.627 554 A CB -0.425 18.711 19.000 0.226 0.000 0.818 554 A HN 0.554 nan 8.150 nan 0.000 0.445 555 E N -1.146 119.161 120.200 0.179 0.000 2.038 555 E HA -0.251 4.097 4.350 -0.002 0.000 0.195 555 E C 1.796 178.489 176.600 0.154 0.000 1.000 555 E CA 1.535 58.019 56.400 0.141 0.000 0.803 555 E CB -0.572 29.212 29.700 0.140 0.000 0.750 555 E HN 0.920 nan 8.360 nan 0.000 0.448 556 W N 1.781 123.103 121.300 0.036 0.000 2.358 556 W HA -0.199 4.460 4.660 -0.002 0.000 0.303 556 W C 2.111 178.638 176.519 0.013 0.000 1.208 556 W CA 1.405 58.767 57.345 0.029 0.000 1.274 556 W CB -0.266 29.220 29.460 0.044 0.000 1.138 556 W HN -0.184 nan 8.180 nan 0.000 0.515 557 V N 1.476 121.446 119.914 0.094 0.000 2.332 557 V HA -0.342 3.777 4.120 -0.002 0.000 0.248 557 V C 2.384 178.295 176.094 -0.306 0.000 1.055 557 V CA 2.393 64.565 62.300 -0.214 0.000 1.038 557 V CB -0.885 30.915 31.823 -0.037 0.000 0.651 557 V HN 0.171 nan 8.190 nan 0.000 0.450 558 K N -0.137 120.166 120.400 -0.162 0.000 2.097 558 K HA -0.186 4.132 4.320 -0.002 0.000 0.206 558 K C 2.134 178.618 176.600 -0.193 0.000 1.049 558 K CA 1.411 57.611 56.287 -0.145 0.000 0.933 558 K CB -0.155 32.306 32.500 -0.064 0.000 0.717 558 K HN 0.452 nan 8.250 nan 0.000 0.442 559 K N 0.388 120.642 120.400 -0.243 0.000 2.288 559 K HA -0.030 4.289 4.320 -0.002 0.000 0.201 559 K C 0.235 176.639 176.600 -0.327 0.000 1.048 559 K CA 0.501 56.643 56.287 -0.243 0.000 0.956 559 K CB 0.217 32.593 32.500 -0.207 0.000 0.746 559 K HN 0.059 nan 8.250 nan 0.000 0.461 560 Q N 1.188 120.693 119.800 -0.491 0.000 2.307 560 Q HA -0.008 4.330 4.340 -0.002 0.000 0.259 560 Q C -0.132 175.678 176.000 -0.318 0.000 0.998 560 Q CA 0.525 56.038 55.803 -0.483 0.000 0.923 560 Q CB 1.479 29.781 28.738 -0.727 0.000 1.196 560 Q HN 0.117 nan 8.270 nan 0.000 0.416 561 D N 1.285 121.539 120.400 -0.242 0.000 2.305 561 D HA -0.062 4.577 4.640 -0.002 0.000 0.206 561 D C -0.369 175.800 176.300 -0.219 0.000 0.974 561 D CA 0.348 54.234 54.000 -0.190 0.000 0.871 561 D CB 0.614 41.334 40.800 -0.133 0.000 0.947 561 D HN 0.427 nan 8.370 nan 0.000 0.516 562 D N -0.498 119.737 120.400 -0.275 0.000 2.352 562 D HA 0.042 4.681 4.640 -0.002 0.000 0.238 562 D C -0.306 175.836 176.300 -0.263 0.000 1.286 562 D CA -0.030 53.767 54.000 -0.338 0.000 0.923 562 D CB 0.919 41.508 40.800 -0.353 0.000 1.146 562 D HN -0.217 nan 8.370 nan 0.000 0.471 563 V N 1.639 121.409 119.914 -0.240 0.000 2.383 563 V HA 0.228 4.347 4.120 -0.002 0.000 0.275 563 V C 0.278 176.268 176.094 -0.174 0.000 1.036 563 V CA -0.585 61.591 62.300 -0.207 0.000 0.889 563 V CB 0.680 32.392 31.823 -0.186 0.000 0.985 563 V HN 0.247 nan 8.190 nan 0.000 0.459 564 L N 5.512 126.619 121.223 -0.195 0.000 2.375 564 L HA 0.565 4.904 4.340 -0.002 0.000 0.271 564 L C -0.246 176.549 176.870 -0.125 0.000 1.107 564 L CA -0.291 54.477 54.840 -0.119 0.000 0.806 564 L CB 1.194 43.170 42.059 -0.138 0.000 1.146 564 L HN 0.499 nan 8.230 nan 0.000 0.447 565 L N 1.450 122.669 121.223 -0.007 0.000 2.341 565 L HA 0.520 4.858 4.340 -0.002 0.000 0.278 565 L C -0.645 176.235 176.870 0.016 0.000 1.005 565 L CA -0.030 54.796 54.840 -0.023 0.000 0.818 565 L CB 1.853 43.934 42.059 0.037 0.000 1.259 565 L HN 0.524 nan 8.230 nan 0.000 0.418 566 T N 2.955 117.507 114.554 -0.005 0.000 2.770 566 T HA 0.234 4.583 4.350 -0.002 0.000 0.283 566 T C -0.901 173.722 174.700 -0.128 0.000 0.988 566 T CA -0.251 61.869 62.100 0.033 0.000 0.957 566 T CB 1.104 70.151 68.868 0.300 0.000 0.930 566 T HN 0.589 nan 8.240 nan 0.000 0.443 567 D N 1.623 121.816 120.400 -0.346 0.000 2.256 567 D HA 0.343 4.982 4.640 -0.002 0.000 0.250 567 D C 1.165 177.284 176.300 -0.301 0.000 1.093 567 D CA -0.185 53.538 54.000 -0.463 0.000 0.882 567 D CB 1.024 41.223 40.800 -1.001 0.000 1.185 567 D HN 0.539 nan 8.370 nan 0.000 0.437 568 T N -1.343 113.071 114.554 -0.232 0.000 3.040 568 T HA 0.065 4.414 4.350 -0.002 0.000 0.266 568 T C 1.471 176.055 174.700 -0.194 0.000 1.005 568 T CA -0.190 61.812 62.100 -0.164 0.000 0.906 568 T CB 0.027 68.839 68.868 -0.093 0.000 1.082 568 T HN 0.284 nan 8.240 nan 0.000 0.531 569 T N 2.146 116.517 114.554 -0.304 0.000 2.699 569 T HA -0.058 4.291 4.350 -0.002 0.000 0.268 569 T C 1.017 175.597 174.700 -0.201 0.000 1.036 569 T CA 1.331 63.191 62.100 -0.401 0.000 1.147 569 T CB -0.498 67.987 68.868 -0.637 0.000 0.862 569 T HN 0.360 nan 8.240 nan 0.000 0.446 570 F N 0.688 120.552 119.950 -0.143 0.000 2.604 570 F HA 0.238 4.763 4.527 -0.002 0.000 0.298 570 F C 2.262 178.115 175.800 0.089 0.000 1.131 570 F CA 0.120 58.110 58.000 -0.016 0.000 1.457 570 F CB -0.363 38.617 39.000 -0.034 0.000 1.095 570 F HN 0.010 nan 8.300 nan 0.000 0.574 571 R N -0.225 120.342 120.500 0.112 0.000 3.319 571 R HA 0.061 4.399 4.340 -0.002 0.000 0.126 571 R C 1.551 177.651 176.300 -0.332 0.000 1.797 571 R CA 0.532 56.580 56.100 -0.087 0.000 1.391 571 R CB -0.941 29.339 30.300 -0.034 0.000 1.312 571 R HN -0.036 nan 8.270 nan 0.000 0.455 572 D N 1.206 121.497 120.400 -0.182 0.000 2.182 572 D HA -0.027 4.612 4.640 -0.002 0.000 0.201 572 D C 1.525 177.724 176.300 -0.168 0.000 0.986 572 D CA 1.515 55.429 54.000 -0.143 0.000 0.847 572 D CB 0.073 40.855 40.800 -0.028 0.000 0.942 572 D HN 0.398 nan 8.370 nan 0.000 0.467 573 A N 0.413 123.125 122.820 -0.181 0.000 1.858 573 A HA -0.211 4.108 4.320 -0.002 0.000 0.216 573 A C 2.138 179.651 177.584 -0.119 0.000 1.190 573 A CA 1.946 53.893 52.037 -0.150 0.000 0.617 573 A CB -1.143 17.751 19.000 -0.176 0.000 0.827 573 A HN 0.642 nan 8.150 nan 0.000 0.443 574 H N -1.225 117.760 119.070 -0.142 0.000 2.512 574 H HA 0.025 4.580 4.556 -0.002 0.000 0.279 574 H C 1.877 177.154 175.328 -0.086 0.000 0.999 574 H CA 1.142 57.108 56.048 -0.137 0.000 1.283 574 H CB -0.405 29.230 29.762 -0.211 0.000 1.421 574 H HN 0.664 nan 8.280 nan 0.000 0.554 575 Q N 1.454 120.970 119.800 -0.473 0.000 2.124 575 Q HA -0.094 4.245 4.340 -0.002 0.000 0.202 575 Q C 1.786 177.755 176.000 -0.052 0.000 0.977 575 Q CA 1.693 57.358 55.803 -0.231 0.000 0.850 575 Q CB 0.228 28.836 28.738 -0.217 0.000 0.901 575 Q HN 0.387 nan 8.270 nan 0.000 0.429 576 S N -0.109 115.577 115.700 -0.022 0.000 2.436 576 S HA 0.051 4.520 4.470 -0.002 0.000 0.228 576 S C 1.612 176.253 174.600 0.068 0.000 1.014 576 S CA 0.604 58.845 58.200 0.068 0.000 0.950 576 S CB 0.183 63.448 63.200 0.109 0.000 0.784 576 S HN 0.360 nan 8.310 nan 0.000 0.504 577 L N -0.464 120.783 121.223 0.041 0.000 2.577 577 L HA 0.371 4.709 4.340 -0.002 0.000 0.225 577 L C 0.367 177.290 176.870 0.088 0.000 1.053 577 L CA 0.536 55.413 54.840 0.061 0.000 0.866 577 L CB 0.249 42.332 42.059 0.040 0.000 1.132 577 L HN 0.173 nan 8.230 nan 0.000 0.486 578 L N 0.034 121.304 121.223 0.078 0.000 3.291 578 L HA 0.428 4.767 4.340 -0.002 0.000 0.307 578 L C 0.861 177.740 176.870 0.015 0.000 1.303 578 L CA -0.162 54.741 54.840 0.106 0.000 0.949 578 L CB 0.835 42.934 42.059 0.066 0.000 1.375 578 L HN 0.120 nan 8.230 nan 0.000 0.596 579 A N -0.597 122.230 122.820 0.013 0.000 2.798 579 A HA -0.310 4.009 4.320 -0.002 0.000 0.282 579 A C 1.159 178.671 177.584 -0.119 0.000 1.464 579 A CA 1.149 53.148 52.037 -0.063 0.000 0.844 579 A CB -2.110 16.841 19.000 -0.082 0.000 1.006 579 A HN 0.687 nan 8.150 nan 0.000 0.577 580 T N -2.500 112.037 114.554 -0.028 0.000 4.712 580 T HA -0.233 4.116 4.350 -0.002 0.000 0.304 580 T C 0.557 175.308 174.700 0.085 0.000 1.250 580 T CA 1.457 63.612 62.100 0.092 0.000 2.371 580 T CB -1.165 67.702 68.868 -0.001 0.000 1.829 580 T HN 0.926 nan 8.240 nan 0.000 0.953 581 R N 0.218 120.627 120.500 -0.152 0.000 2.335 581 R HA 0.300 4.639 4.340 -0.002 0.000 0.223 581 R C 0.632 176.793 176.300 -0.232 0.000 0.940 581 R CA -0.069 55.881 56.100 -0.250 0.000 1.086 581 R CB -0.179 29.697 30.300 -0.707 0.000 1.073 581 R HN 0.463 nan 8.270 nan 0.000 0.504 582 V N 2.786 122.360 119.914 -0.567 0.000 2.508 582 V HA 0.102 4.221 4.120 -0.002 0.000 0.281 582 V C 0.952 176.883 176.094 -0.271 0.000 1.041 582 V CA -0.089 61.777 62.300 -0.724 0.000 1.016 582 V CB 0.698 31.885 31.823 -1.059 0.000 0.984 582 V HN 0.126 nan 8.190 nan 0.000 0.478 583 R N 2.776 123.268 120.500 -0.013 0.000 2.532 583 R HA 0.354 4.693 4.340 -0.002 0.000 0.272 583 R C 1.374 177.635 176.300 -0.066 0.000 1.032 583 R CA -0.461 55.603 56.100 -0.060 0.000 1.089 583 R CB 0.545 30.771 30.300 -0.124 0.000 1.098 583 R HN 0.741 nan 8.270 nan 0.000 0.526 584 T N 1.409 115.896 114.554 -0.112 0.000 2.592 584 T HA -0.282 4.067 4.350 -0.002 0.000 0.267 584 T C 1.692 176.343 174.700 -0.081 0.000 1.060 584 T CA 2.035 64.071 62.100 -0.107 0.000 1.167 584 T CB -0.211 68.592 68.868 -0.109 0.000 0.863 584 T HN 0.515 nan 8.240 nan 0.000 0.431 585 K N 1.366 121.716 120.400 -0.083 0.000 2.107 585 K HA -0.203 4.116 4.320 -0.002 0.000 0.211 585 K C 1.810 178.411 176.600 0.002 0.000 1.049 585 K CA 1.981 58.236 56.287 -0.054 0.000 0.927 585 K CB -0.513 31.938 32.500 -0.082 0.000 0.714 585 K HN 0.302 nan 8.250 nan 0.000 0.452 586 D N -0.663 119.769 120.400 0.054 0.000 2.312 586 D HA -0.061 4.577 4.640 -0.002 0.000 0.211 586 D C 1.744 178.104 176.300 0.100 0.000 0.964 586 D CA 1.054 55.116 54.000 0.105 0.000 0.877 586 D CB 0.062 40.978 40.800 0.193 0.000 0.924 586 D HN 0.414 nan 8.370 nan 0.000 0.515 587 M N -0.178 119.461 119.600 0.065 0.000 2.276 587 M HA -0.017 4.462 4.480 -0.002 0.000 0.262 587 M C 2.021 178.264 176.300 -0.095 0.000 1.098 587 M CA 0.430 55.693 55.300 -0.061 0.000 1.167 587 M CB 0.118 32.400 32.600 -0.530 0.000 1.337 587 M HN -0.112 nan 8.290 nan 0.000 0.446 588 I N 1.657 122.169 120.570 -0.097 0.000 2.113 588 I HA -0.363 3.806 4.170 -0.002 0.000 0.242 588 I C 1.747 177.846 176.117 -0.031 0.000 1.057 588 I CA 2.047 63.314 61.300 -0.055 0.000 1.314 588 I CB -1.898 36.075 38.000 -0.046 0.000 1.022 588 I HN 0.470 nan 8.210 nan 0.000 0.408 589 N N 0.682 119.366 118.700 -0.027 0.000 2.205 589 N HA -0.185 4.553 4.740 -0.002 0.000 0.186 589 N C 1.142 176.559 175.510 -0.156 0.000 1.015 589 N CA 1.371 54.391 53.050 -0.050 0.000 0.862 589 N CB -0.093 38.406 38.487 0.020 0.000 0.986 589 N HN 0.489 nan 8.380 nan 0.000 0.429 590 I N -3.188 117.255 120.570 -0.211 0.000 3.936 590 I HA 0.466 4.635 4.170 -0.002 0.000 0.330 590 I C 1.315 177.459 176.117 0.045 0.000 1.509 590 I CA -0.562 60.585 61.300 -0.254 0.000 1.126 590 I CB -0.056 37.553 38.000 -0.650 0.000 1.115 590 I HN -0.165 nan 8.210 nan 0.000 0.424 591 A N 1.183 124.069 122.820 0.111 0.000 1.883 591 A HA -0.224 4.095 4.320 -0.002 0.000 0.217 591 A C 2.516 180.200 177.584 0.167 0.000 1.186 591 A CA 2.371 54.534 52.037 0.210 0.000 0.624 591 A CB -1.115 17.963 19.000 0.130 0.000 0.822 591 A HN 0.574 nan 8.150 nan 0.000 0.444 592 S N -0.095 115.658 115.700 0.088 0.000 2.368 592 S HA -0.313 4.156 4.470 -0.002 0.000 0.226 592 S C 2.113 176.761 174.600 0.080 0.000 1.044 592 S CA 2.382 60.628 58.200 0.076 0.000 1.062 592 S CB -0.371 62.848 63.200 0.031 0.000 0.931 592 S HN 0.503 nan 8.310 nan 0.000 0.440 593 K N 0.515 120.932 120.400 0.028 0.000 2.057 593 K HA 0.000 4.319 4.320 -0.002 0.000 0.207 593 K C 2.201 178.810 176.600 0.014 0.000 1.049 593 K CA 2.135 58.421 56.287 -0.001 0.000 0.931 593 K CB -1.192 31.267 32.500 -0.069 0.000 0.714 593 K HN 0.481 nan 8.250 nan 0.000 0.440 594 T N 0.497 115.104 114.554 0.088 0.000 2.684 594 T HA -0.176 4.173 4.350 -0.002 0.000 0.267 594 T C 1.787 176.607 174.700 0.200 0.000 1.036 594 T CA 1.546 63.749 62.100 0.171 0.000 1.148 594 T CB -0.576 68.503 68.868 0.353 0.000 0.863 594 T HN 0.408 nan 8.240 nan 0.000 0.436 595 A N 1.429 124.376 122.820 0.212 0.000 1.908 595 A HA -0.201 4.118 4.320 -0.002 0.000 0.218 595 A C 2.097 179.754 177.584 0.122 0.000 1.181 595 A CA 2.285 54.453 52.037 0.218 0.000 0.627 595 A CB -0.792 18.352 19.000 0.241 0.000 0.818 595 A HN 0.570 nan 8.150 nan 0.000 0.445 596 D N -0.658 119.788 120.400 0.077 0.000 2.085 596 D HA -0.101 4.537 4.640 -0.002 0.000 0.199 596 D C 1.826 178.012 176.300 -0.190 0.000 0.981 596 D CA 1.627 55.584 54.000 -0.071 0.000 0.834 596 D CB -0.285 40.544 40.800 0.048 0.000 0.992 596 D HN 0.106 nan 8.370 nan 0.000 0.457 597 V N -0.182 119.605 119.914 -0.212 0.000 2.317 597 V HA -0.232 3.886 4.120 -0.002 0.000 0.251 597 V C 1.748 177.568 176.094 -0.457 0.000 1.065 597 V CA 1.572 63.627 62.300 -0.409 0.000 1.049 597 V CB -0.667 30.780 31.823 -0.627 0.000 0.651 597 V HN 0.255 nan 8.190 nan 0.000 0.450 598 F N 0.308 120.224 119.950 -0.057 0.000 2.639 598 F HA 0.169 4.695 4.527 -0.002 0.000 0.300 598 F C 1.998 177.763 175.800 -0.058 0.000 1.109 598 F CA -0.323 57.650 58.000 -0.044 0.000 1.335 598 F CB -0.115 38.869 39.000 -0.027 0.000 1.014 598 F HN 0.140 nan 8.300 nan 0.000 0.537 599 K N -0.419 119.969 120.400 -0.020 0.000 2.160 599 K HA -0.213 4.105 4.320 -0.002 0.000 0.206 599 K C 0.306 176.890 176.600 -0.026 0.000 1.047 599 K CA 2.116 58.330 56.287 -0.121 0.000 0.930 599 K CB -0.276 31.946 32.500 -0.463 0.000 0.720 599 K HN 0.162 nan 8.250 nan 0.000 0.450 600 D N 1.002 121.417 120.400 0.025 0.000 2.349 600 D HA 0.122 4.761 4.640 -0.002 0.000 0.214 600 D C 0.586 176.984 176.300 0.163 0.000 1.063 600 D CA 0.299 54.353 54.000 0.091 0.000 0.847 600 D CB 0.451 41.297 40.800 0.078 0.000 0.933 600 D HN 0.408 nan 8.370 nan 0.000 0.513 601 G N -0.150 108.762 108.800 0.186 0.000 2.664 601 G HA2 0.077 4.036 3.960 -0.002 0.000 0.242 601 G HA3 0.077 4.036 3.960 -0.002 0.000 0.242 601 G C 0.409 175.421 174.900 0.188 0.000 1.225 601 G CA -0.479 44.735 45.100 0.190 0.000 0.849 601 G HN 0.100 nan 8.290 nan 0.000 0.581 602 F N 0.861 120.841 119.950 0.049 0.000 2.123 602 F HA 0.223 4.749 4.527 -0.002 0.000 0.289 602 F C 1.410 177.237 175.800 0.045 0.000 1.099 602 F CA 1.141 59.183 58.000 0.070 0.000 1.234 602 F CB -0.024 38.999 39.000 0.038 0.000 1.034 602 F HN 0.608 nan 8.300 nan 0.000 0.479 603 S N -0.359 115.218 115.700 -0.205 0.000 2.607 603 S HA 0.595 5.064 4.470 -0.002 0.000 0.273 603 S C -1.354 173.161 174.600 -0.142 0.000 1.148 603 S CA -0.947 57.088 58.200 -0.276 0.000 0.833 603 S CB 1.630 64.605 63.200 -0.376 0.000 1.130 603 S HN 0.148 nan 8.310 nan 0.000 0.470 604 L N 1.541 122.684 121.223 -0.134 0.000 2.298 604 L HA 0.505 4.844 4.340 -0.002 0.000 0.284 604 L C 0.195 176.950 176.870 -0.191 0.000 1.013 604 L CA -0.387 54.322 54.840 -0.219 0.000 0.824 604 L CB 1.545 43.460 42.059 -0.240 0.000 1.221 604 L HN 0.823 nan 8.230 nan 0.000 0.418 605 E N 4.500 124.613 120.200 -0.145 0.000 2.029 605 E HA 0.113 4.462 4.350 -0.002 0.000 0.276 605 E C 0.088 176.655 176.600 -0.054 0.000 1.163 605 E CA -0.269 56.079 56.400 -0.087 0.000 0.909 605 E CB 0.593 30.253 29.700 -0.067 0.000 1.046 605 E HN 0.562 nan 8.360 nan 0.000 0.406 606 M N 2.683 122.253 119.600 -0.051 0.000 2.340 606 M HA 0.425 4.904 4.480 -0.002 0.000 0.345 606 M C -0.981 175.425 176.300 0.176 0.000 1.008 606 M CA -0.476 54.841 55.300 0.028 0.000 0.987 606 M CB 0.334 32.834 32.600 -0.167 0.000 1.598 606 M HN 0.248 nan 8.290 nan 0.000 0.569 607 W N -0.220 121.026 121.300 -0.091 0.000 3.025 607 W HA 0.667 5.326 4.660 -0.002 0.000 0.343 607 W C 0.436 176.955 176.519 -0.000 0.000 1.246 607 W CA 0.116 57.430 57.345 -0.052 0.000 1.178 607 W CB 1.067 30.486 29.460 -0.068 0.000 1.463 607 W HN 0.640 nan 8.180 nan 0.000 0.578 608 G N 1.043 109.693 108.800 -0.250 0.000 2.584 608 G HA2 0.351 4.310 3.960 -0.002 0.000 0.229 608 G HA3 0.351 4.310 3.960 -0.002 0.000 0.229 608 G C 0.737 175.583 174.900 -0.091 0.000 1.320 608 G CA 1.028 46.038 45.100 -0.151 0.000 0.891 608 G HN 2.263 nan 8.290 nan 0.000 0.573 609 G N -0.968 107.836 108.800 0.007 0.000 2.629 609 G HA2 0.134 4.093 3.960 -0.002 0.000 0.313 609 G HA3 0.134 4.093 3.960 -0.002 0.000 0.313 609 G C 1.515 176.429 174.900 0.023 0.000 1.217 609 G CA 2.746 47.869 45.100 0.038 0.000 0.994 609 G HN 2.614 nan 8.290 nan 0.000 0.549 610 A N -0.407 122.430 122.820 0.028 0.000 2.348 610 A HA 0.520 4.839 4.320 -0.002 0.000 0.224 610 A C 2.239 179.839 177.584 0.026 0.000 1.227 610 A CA 1.750 53.831 52.037 0.073 0.000 0.885 610 A CB -0.366 18.711 19.000 0.129 0.000 0.933 610 A HN 1.884 nan 8.150 nan 0.000 0.506 611 T N -3.244 111.278 114.554 -0.054 0.000 2.867 611 T HA -0.126 4.223 4.350 -0.002 0.000 0.268 611 T C 1.632 176.217 174.700 -0.191 0.000 1.057 611 T CA 1.336 63.378 62.100 -0.097 0.000 1.136 611 T CB -0.557 68.233 68.868 -0.131 0.000 0.874 611 T HN 0.253 nan 8.240 nan 0.000 0.466 612 F N 2.728 122.435 119.950 -0.405 0.000 2.075 612 F HA -0.085 4.441 4.527 -0.002 0.000 0.297 612 F C 2.334 177.924 175.800 -0.350 0.000 1.113 612 F CA 1.972 59.689 58.000 -0.471 0.000 1.218 612 F CB -0.402 38.310 39.000 -0.480 0.000 0.984 612 F HN 0.112 nan 8.300 nan 0.000 0.472 613 D N 0.116 120.452 120.400 -0.106 0.000 2.108 613 D HA -0.189 4.450 4.640 -0.002 0.000 0.190 613 D C 2.321 178.588 176.300 -0.055 0.000 0.995 613 D CA 2.112 55.959 54.000 -0.256 0.000 0.834 613 D CB -0.574 40.254 40.800 0.046 0.000 0.967 613 D HN 0.169 nan 8.370 nan 0.000 0.446 614 V N 1.420 121.388 119.914 0.089 0.000 2.324 614 V HA -0.286 3.833 4.120 -0.002 0.000 0.250 614 V C 2.693 178.866 176.094 0.132 0.000 1.060 614 V CA 2.123 64.566 62.300 0.239 0.000 1.042 614 V CB -1.017 30.918 31.823 0.187 0.000 0.650 614 V HN 0.366 nan 8.190 nan 0.000 0.450 615 A N -1.287 121.489 122.820 -0.073 0.000 1.841 615 A HA -0.220 4.098 4.320 -0.002 0.000 0.214 615 A C 2.101 179.582 177.584 -0.171 0.000 1.195 615 A CA 1.902 53.833 52.037 -0.177 0.000 0.611 615 A CB -0.889 17.879 19.000 -0.386 0.000 0.835 615 A HN 0.562 nan 8.150 nan 0.000 0.443 616 Y N -0.200 119.931 120.300 -0.283 0.000 2.274 616 Y HA -0.219 4.330 4.550 -0.002 0.000 0.290 616 Y C 2.602 178.472 175.900 -0.050 0.000 1.145 616 Y CA 1.632 59.575 58.100 -0.263 0.000 1.203 616 Y CB -0.103 38.168 38.460 -0.316 0.000 0.984 616 Y HN 0.540 nan 8.280 nan 0.000 0.533 617 N N -1.050 117.704 118.700 0.090 0.000 2.244 617 N HA -0.089 4.650 4.740 -0.002 0.000 0.189 617 N C 1.399 176.874 175.510 -0.057 0.000 1.047 617 N CA 0.665 53.692 53.050 -0.039 0.000 0.870 617 N CB -0.165 38.216 38.487 -0.177 0.000 1.041 617 N HN 0.078 nan 8.380 nan 0.000 0.448 618 F N 1.053 121.115 119.950 0.187 0.000 2.220 618 F HA 0.190 4.715 4.527 -0.002 0.000 0.290 618 F C 1.916 177.956 175.800 0.399 0.000 1.080 618 F CA 0.406 58.567 58.000 0.269 0.000 1.318 618 F CB -0.063 39.083 39.000 0.244 0.000 1.063 618 F HN 0.000 nan 8.300 nan 0.000 0.498 619 L N 0.147 121.667 121.223 0.495 0.000 2.552 619 L HA -0.005 4.334 4.340 -0.002 0.000 0.227 619 L C 0.298 177.379 176.870 0.352 0.000 1.146 619 L CA 0.211 55.294 54.840 0.404 0.000 0.858 619 L CB -0.681 41.444 42.059 0.110 0.000 0.969 619 L HN 0.052 nan 8.230 nan 0.000 0.451 620 K N 1.794 122.408 120.400 0.357 0.000 3.540 620 K HA -0.209 4.109 4.320 -0.002 0.000 0.274 620 K C -0.094 176.731 176.600 0.375 0.000 0.890 620 K CA 0.924 57.458 56.287 0.411 0.000 0.701 620 K CB -1.835 30.911 32.500 0.410 0.000 1.523 620 K HN 0.749 nan 8.250 nan 0.000 0.450 621 E N -0.663 119.625 120.200 0.146 0.000 2.367 621 E HA 0.317 4.666 4.350 -0.002 0.000 0.273 621 E C -0.913 175.460 176.600 -0.378 0.000 0.903 621 E CA -1.062 55.350 56.400 0.020 0.000 0.764 621 E CB 1.425 31.066 29.700 -0.099 0.000 1.252 621 E HN 0.220 nan 8.360 nan 0.000 0.446 622 N N 2.487 120.968 118.700 -0.365 0.000 2.430 622 N HA 0.080 4.819 4.740 -0.002 0.000 0.265 622 N C -1.528 173.697 175.510 -0.476 0.000 1.100 622 N CA -1.834 50.844 53.050 -0.620 0.000 0.961 622 N CB 0.884 39.280 38.487 -0.151 0.000 1.075 622 N HN 0.356 nan 8.380 nan 0.000 0.478 623 P HA -0.090 nan 4.420 nan 0.000 0.226 623 P C 0.498 177.807 177.300 0.016 0.000 1.153 623 P CA 0.920 63.774 63.100 -0.409 0.000 0.777 623 P CB 0.035 31.206 31.700 -0.882 0.000 0.794 624 W N 1.249 122.583 121.300 0.056 0.000 2.409 624 W HA -0.011 4.648 4.660 -0.002 0.000 0.299 624 W C 2.445 178.964 176.519 -0.000 0.000 1.203 624 W CA 0.625 58.039 57.345 0.116 0.000 1.298 624 W CB -0.816 28.729 29.460 0.141 0.000 1.127 624 W HN 0.010 nan 8.180 nan 0.000 0.528 625 E N 0.154 120.470 120.200 0.193 0.000 2.153 625 E HA -0.216 4.133 4.350 -0.002 0.000 0.194 625 E C 2.143 178.764 176.600 0.035 0.000 0.988 625 E CA 0.907 57.364 56.400 0.095 0.000 0.811 625 E CB -0.239 29.503 29.700 0.069 0.000 0.746 625 E HN 0.253 nan 8.360 nan 0.000 0.466 626 R N 0.745 121.254 120.500 0.015 0.000 2.075 626 R HA -0.144 4.195 4.340 -0.002 0.000 0.232 626 R C 2.395 178.684 176.300 -0.019 0.000 1.126 626 R CA 0.815 56.909 56.100 -0.010 0.000 0.963 626 R CB -0.188 30.113 30.300 0.001 0.000 0.858 626 R HN 0.131 nan 8.270 nan 0.000 0.435 627 L N 1.722 122.908 121.223 -0.062 0.000 1.970 627 L HA -0.162 4.177 4.340 -0.002 0.000 0.212 627 L C 1.780 178.624 176.870 -0.044 0.000 1.071 627 L CA 1.979 56.689 54.840 -0.217 0.000 0.751 627 L CB -0.724 40.931 42.059 -0.673 0.000 0.889 627 L HN 0.213 nan 8.230 nan 0.000 0.432 628 E N -0.704 119.484 120.200 -0.021 0.000 2.038 628 E HA -0.244 4.105 4.350 -0.002 0.000 0.195 628 E C 2.283 178.885 176.600 0.003 0.000 1.000 628 E CA 1.522 57.918 56.400 -0.006 0.000 0.803 628 E CB -0.215 29.498 29.700 0.021 0.000 0.750 628 E HN 0.445 nan 8.360 nan 0.000 0.448 629 R N 0.364 120.871 120.500 0.012 0.000 2.096 629 R HA -0.098 4.240 4.340 -0.002 0.000 0.235 629 R C 2.473 178.793 176.300 0.033 0.000 1.127 629 R CA 0.843 56.949 56.100 0.010 0.000 0.968 629 R CB -0.292 30.007 30.300 -0.002 0.000 0.861 629 R HN 0.250 nan 8.270 nan 0.000 0.440 630 L N 0.168 121.432 121.223 0.067 0.000 2.109 630 L HA -0.136 4.203 4.340 -0.002 0.000 0.207 630 L C 2.659 179.727 176.870 0.329 0.000 1.086 630 L CA 0.928 55.868 54.840 0.166 0.000 0.760 630 L CB -0.346 41.772 42.059 0.098 0.000 0.910 630 L HN 0.086 nan 8.230 nan 0.000 0.437 631 R N 1.288 121.913 120.500 0.209 0.000 2.082 631 R HA -0.223 4.115 4.340 -0.002 0.000 0.234 631 R C 2.164 178.391 176.300 -0.122 0.000 1.136 631 R CA 1.920 57.907 56.100 -0.188 0.000 0.935 631 R CB -0.621 29.518 30.300 -0.268 0.000 0.842 631 R HN 0.105 nan 8.270 nan 0.000 0.430 632 K N -0.697 119.668 120.400 -0.058 0.000 2.089 632 K HA -0.145 4.174 4.320 -0.002 0.000 0.210 632 K C 1.814 178.407 176.600 -0.012 0.000 1.048 632 K CA 1.893 58.153 56.287 -0.044 0.000 0.926 632 K CB -0.335 32.148 32.500 -0.028 0.000 0.714 632 K HN 0.322 nan 8.250 nan 0.000 0.448 633 A N 0.222 123.060 122.820 0.031 0.000 2.014 633 A HA 0.056 4.375 4.320 -0.002 0.000 0.218 633 A C 1.086 178.730 177.584 0.101 0.000 1.163 633 A CA 0.813 52.886 52.037 0.059 0.000 0.652 633 A CB -0.003 19.040 19.000 0.070 0.000 0.808 633 A HN 0.297 nan 8.150 nan 0.000 0.449 634 I N 0.355 121.006 120.570 0.135 0.000 2.859 634 I HA 0.197 4.366 4.170 -0.002 0.000 0.296 634 I C -2.061 174.064 176.117 0.014 0.000 1.300 634 I CA -1.354 60.057 61.300 0.185 0.000 1.020 634 I CB 1.662 39.919 38.000 0.428 0.000 1.823 634 I HN 0.040 nan 8.210 nan 0.000 0.599 635 P HA -0.009 nan 4.420 nan 0.000 0.245 635 P C 0.369 177.624 177.300 -0.076 0.000 1.212 635 P CA 0.836 63.870 63.100 -0.110 0.000 0.774 635 P CB 0.105 31.760 31.700 -0.075 0.000 0.999 636 N N -0.373 118.332 118.700 0.008 0.000 2.482 636 N HA 0.022 4.761 4.740 -0.002 0.000 0.179 636 N C 0.411 175.921 175.510 0.000 0.000 1.039 636 N CA 0.342 53.412 53.050 0.034 0.000 0.884 636 N CB -0.316 38.257 38.487 0.144 0.000 1.113 636 N HN -0.080 nan 8.380 nan 0.000 0.440 637 V N 2.123 122.069 119.914 0.052 0.000 2.617 637 V HA 0.330 4.449 4.120 -0.002 0.000 0.298 637 V C 0.761 176.876 176.094 0.035 0.000 1.048 637 V CA -0.989 61.339 62.300 0.047 0.000 0.964 637 V CB 1.900 33.797 31.823 0.123 0.000 1.004 637 V HN 0.093 nan 8.190 nan 0.000 0.466 638 L N 3.486 124.658 121.223 -0.086 0.000 2.525 638 L HA 0.142 4.481 4.340 -0.002 0.000 0.278 638 L C -0.417 176.528 176.870 0.124 0.000 1.218 638 L CA 0.322 55.090 54.840 -0.120 0.000 0.878 638 L CB -0.097 41.740 42.059 -0.371 0.000 1.127 638 L HN 0.454 nan 8.230 nan 0.000 0.492 639 F N 2.470 122.302 119.950 -0.197 0.000 2.410 639 F HA 0.367 4.892 4.527 -0.002 0.000 0.349 639 F C 0.432 176.106 175.800 -0.210 0.000 1.117 639 F CA -0.633 57.267 58.000 -0.167 0.000 1.104 639 F CB 1.215 40.118 39.000 -0.163 0.000 1.122 639 F HN 0.435 nan 8.300 nan 0.000 0.483 640 Q N 4.579 124.351 119.800 -0.047 0.000 2.337 640 Q HA 0.704 5.043 4.340 -0.002 0.000 0.266 640 Q C -1.232 174.731 176.000 -0.061 0.000 1.023 640 Q CA -1.022 54.727 55.803 -0.089 0.000 0.829 640 Q CB 2.205 30.918 28.738 -0.041 0.000 1.306 640 Q HN 0.737 nan 8.270 nan 0.000 0.449 641 M N 2.189 121.745 119.600 -0.074 0.000 2.518 641 M HA 0.477 4.956 4.480 -0.002 0.000 0.300 641 M C -1.938 174.420 176.300 0.096 0.000 1.175 641 M CA -1.008 54.326 55.300 0.056 0.000 0.890 641 M CB 1.632 34.343 32.600 0.186 0.000 1.710 641 M HN 0.531 nan 8.290 nan 0.000 0.453 642 L N 3.403 124.693 121.223 0.112 0.000 2.319 642 L HA 0.684 5.022 4.340 -0.002 0.000 0.280 642 L C -1.633 175.391 176.870 0.256 0.000 1.099 642 L CA -0.224 54.709 54.840 0.155 0.000 0.828 642 L CB 1.083 43.192 42.059 0.084 0.000 1.150 642 L HN 0.864 nan 8.230 nan 0.000 0.442 643 L N 5.580 127.001 121.223 0.330 0.000 2.406 643 L HA 0.486 4.824 4.340 -0.002 0.000 0.270 643 L C -0.413 176.529 176.870 0.121 0.000 0.982 643 L CA -0.303 54.706 54.840 0.281 0.000 0.843 643 L CB 1.194 43.468 42.059 0.358 0.000 1.225 643 L HN 0.554 nan 8.230 nan 0.000 0.412 644 R N 5.073 125.536 120.500 -0.061 0.000 2.878 644 R HA 0.438 4.777 4.340 -0.002 0.000 0.239 644 R C 1.321 177.410 176.300 -0.352 0.000 1.515 644 R CA 0.463 56.257 56.100 -0.511 0.000 1.210 644 R CB -0.228 29.860 30.300 -0.352 0.000 1.209 644 R HN 0.933 nan 8.270 nan 0.000 0.610 645 A N 2.040 124.671 122.820 -0.315 0.000 5.101 645 A HA -0.370 3.949 4.320 -0.002 0.000 0.391 645 A C 1.623 179.152 177.584 -0.092 0.000 1.488 645 A CA 2.229 54.177 52.037 -0.148 0.000 0.878 645 A CB -1.273 17.636 19.000 -0.152 0.000 1.518 645 A HN 0.594 nan 8.150 nan 0.000 0.455 646 S N 0.478 116.128 115.700 -0.084 0.000 2.593 646 S HA 0.066 4.535 4.470 -0.002 0.000 0.217 646 S C 1.139 175.744 174.600 0.008 0.000 0.966 646 S CA 0.838 59.015 58.200 -0.039 0.000 0.914 646 S CB -0.516 62.652 63.200 -0.054 0.000 0.776 646 S HN 0.649 nan 8.310 nan 0.000 0.523 647 N N 1.624 120.302 118.700 -0.037 0.000 2.392 647 N HA 0.373 5.112 4.740 -0.002 0.000 0.177 647 N C 1.292 176.812 175.510 0.016 0.000 1.066 647 N CA 0.627 53.673 53.050 -0.007 0.000 0.895 647 N CB -0.097 38.345 38.487 -0.075 0.000 0.988 647 N HN 0.269 nan 8.380 nan 0.000 0.457 648 A N -0.105 122.680 122.820 -0.057 0.000 4.725 648 A HA -0.315 4.003 4.320 -0.002 0.000 0.343 648 A C 1.212 178.679 177.584 -0.195 0.000 1.760 648 A CA 2.188 54.147 52.037 -0.130 0.000 0.747 648 A CB -1.535 17.252 19.000 -0.354 0.000 1.450 648 A HN 0.270 nan 8.150 nan 0.000 0.454 649 V N -0.264 119.410 119.914 -0.400 0.000 3.392 649 V HA 0.524 4.642 4.120 -0.002 0.000 0.294 649 V C 1.219 177.114 176.094 -0.331 0.000 1.561 649 V CA 1.335 63.412 62.300 -0.371 0.000 1.056 649 V CB 0.085 31.522 31.823 -0.642 0.000 0.882 649 V HN 1.561 nan 8.190 nan 0.000 0.440 650 G N -0.538 108.069 108.800 -0.322 0.000 2.829 650 G HA2 0.220 4.179 3.960 -0.002 0.000 0.173 650 G HA3 0.220 4.179 3.960 -0.002 0.000 0.173 650 G C 0.069 174.580 174.900 -0.648 0.000 1.476 650 G CA 0.414 45.225 45.100 -0.482 0.000 1.072 650 G HN 0.253 nan 8.290 nan 0.000 0.577 651 Y N -0.725 119.526 120.300 -0.082 0.000 2.540 651 Y HA 0.291 4.840 4.550 -0.002 0.000 0.257 651 Y C 0.779 176.614 175.900 -0.109 0.000 1.090 651 Y CA -0.268 57.799 58.100 -0.055 0.000 1.242 651 Y CB 0.605 39.056 38.460 -0.015 0.000 1.325 651 Y HN 0.507 nan 8.280 nan 0.000 0.544 652 K N -1.054 119.260 120.400 -0.143 0.000 2.430 652 K HA 0.512 4.831 4.320 -0.002 0.000 0.268 652 K C -1.274 175.100 176.600 -0.377 0.000 1.043 652 K CA -1.126 55.043 56.287 -0.197 0.000 0.899 652 K CB 0.828 33.220 32.500 -0.181 0.000 1.472 652 K HN -0.307 nan 8.250 nan 0.000 0.451 653 N N 0.488 119.036 118.700 -0.253 0.000 2.492 653 N HA 0.174 4.912 4.740 -0.002 0.000 0.262 653 N C -1.388 173.914 175.510 -0.346 0.000 1.202 653 N CA 0.078 52.997 53.050 -0.218 0.000 0.926 653 N CB 0.056 38.480 38.487 -0.105 0.000 1.078 653 N HN 0.368 nan 8.380 nan 0.000 0.454 654 Y N 1.626 121.870 120.300 -0.092 0.000 2.496 654 Y HA 0.407 4.956 4.550 -0.002 0.000 0.331 654 Y C -1.634 174.221 175.900 -0.074 0.000 1.140 654 Y CA -2.214 55.835 58.100 -0.084 0.000 1.166 654 Y CB 0.741 39.147 38.460 -0.091 0.000 1.249 654 Y HN 0.468 nan 8.280 nan 0.000 0.479 655 P HA -0.056 nan 4.420 nan 0.000 0.265 655 P C -0.219 177.123 177.300 0.070 0.000 1.187 655 P CA 0.242 63.362 63.100 0.033 0.000 0.766 655 P CB 1.014 32.724 31.700 0.016 0.000 0.820 656 D N 1.902 122.329 120.400 0.044 0.000 2.158 656 D HA -0.198 4.441 4.640 -0.002 0.000 0.197 656 D C 1.681 178.088 176.300 0.179 0.000 0.995 656 D CA 1.480 55.534 54.000 0.090 0.000 0.846 656 D CB -0.553 40.292 40.800 0.076 0.000 0.941 656 D HN 0.525 nan 8.370 nan 0.000 0.456 657 N N 0.842 119.640 118.700 0.164 0.000 2.272 657 N HA -0.138 4.601 4.740 -0.002 0.000 0.185 657 N C 1.667 177.390 175.510 0.355 0.000 1.014 657 N CA 0.934 54.131 53.050 0.245 0.000 0.870 657 N CB -0.689 37.921 38.487 0.205 0.000 0.975 657 N HN 0.167 nan 8.380 nan 0.000 0.433 658 V N 0.878 120.962 119.914 0.284 0.000 2.379 658 V HA -0.133 3.986 4.120 -0.002 0.000 0.245 658 V C 2.436 178.618 176.094 0.147 0.000 1.044 658 V CA 1.081 63.533 62.300 0.253 0.000 1.036 658 V CB -0.502 31.369 31.823 0.080 0.000 0.664 658 V HN 0.119 nan 8.190 nan 0.000 0.453 659 I N -0.263 120.370 120.570 0.105 0.000 2.179 659 I HA -0.243 3.926 4.170 -0.002 0.000 0.242 659 I C 2.389 178.543 176.117 0.061 0.000 1.088 659 I CA 1.823 63.161 61.300 0.064 0.000 1.357 659 I CB -0.641 37.355 38.000 -0.006 0.000 1.051 659 I HN 0.310 nan 8.210 nan 0.000 0.409 660 H N -0.016 119.089 119.070 0.058 0.000 2.319 660 H HA -0.220 4.335 4.556 -0.002 0.000 0.299 660 H C 2.280 177.618 175.328 0.018 0.000 1.092 660 H CA 2.052 58.112 56.048 0.020 0.000 1.302 660 H CB -0.042 29.731 29.762 0.018 0.000 1.373 660 H HN 0.173 nan 8.280 nan 0.000 0.497 661 K N -0.222 120.276 120.400 0.164 0.000 2.057 661 K HA -0.169 4.150 4.320 -0.002 0.000 0.207 661 K C 1.931 178.592 176.600 0.102 0.000 1.049 661 K CA 1.330 57.633 56.287 0.026 0.000 0.931 661 K CB -0.237 32.157 32.500 -0.176 0.000 0.714 661 K HN 0.155 nan 8.250 nan 0.000 0.440 662 F N 0.958 120.922 119.950 0.022 0.000 2.069 662 F HA -0.218 4.308 4.527 -0.002 0.000 0.298 662 F C 1.795 177.691 175.800 0.160 0.000 1.113 662 F CA 1.420 59.483 58.000 0.105 0.000 1.214 662 F CB -0.599 38.411 39.000 0.017 0.000 0.978 662 F HN -0.182 nan 8.300 nan 0.000 0.474 663 V N 0.410 120.305 119.914 -0.031 0.000 2.392 663 V HA -0.344 3.775 4.120 -0.002 0.000 0.249 663 V C 2.362 178.385 176.094 -0.118 0.000 1.059 663 V CA 2.222 64.393 62.300 -0.214 0.000 1.051 663 V CB -0.895 30.725 31.823 -0.338 0.000 0.658 663 V HN 0.410 nan 8.190 nan 0.000 0.455 664 Q N -0.553 119.219 119.800 -0.046 0.000 2.061 664 Q HA -0.230 4.108 4.340 -0.002 0.000 0.204 664 Q C 2.400 178.395 176.000 -0.008 0.000 0.984 664 Q CA 1.792 57.583 55.803 -0.021 0.000 0.846 664 Q CB -0.177 28.550 28.738 -0.019 0.000 0.902 664 Q HN 0.583 nan 8.270 nan 0.000 0.421 665 E N -0.091 120.109 120.200 -0.001 0.000 2.152 665 E HA -0.067 4.282 4.350 -0.002 0.000 0.192 665 E C 2.120 178.801 176.600 0.134 0.000 0.983 665 E CA 0.659 57.055 56.400 -0.007 0.000 0.818 665 E CB 0.003 29.647 29.700 -0.093 0.000 0.758 665 E HN 0.195 nan 8.360 nan 0.000 0.467 666 S N 1.233 117.032 115.700 0.165 0.000 2.343 666 S HA -0.142 4.327 4.470 -0.002 0.000 0.219 666 S C 2.143 176.820 174.600 0.129 0.000 1.033 666 S CA 1.268 59.563 58.200 0.157 0.000 1.014 666 S CB -0.238 63.040 63.200 0.131 0.000 0.915 666 S HN 0.405 nan 8.310 nan 0.000 0.435 667 A N 1.304 124.270 122.820 0.243 0.000 1.969 667 A HA -0.079 4.239 4.320 -0.002 0.000 0.218 667 A C 2.027 179.643 177.584 0.053 0.000 1.169 667 A CA 1.535 53.702 52.037 0.216 0.000 0.635 667 A CB -0.419 18.741 19.000 0.267 0.000 0.810 667 A HN 0.436 nan 8.150 nan 0.000 0.445 668 K N -0.415 120.001 120.400 0.028 0.000 2.062 668 K HA 0.006 4.324 4.320 -0.002 0.000 0.205 668 K C 1.927 178.504 176.600 -0.040 0.000 1.051 668 K CA 1.014 57.290 56.287 -0.018 0.000 0.941 668 K CB -0.219 32.261 32.500 -0.034 0.000 0.719 668 K HN 0.380 nan 8.250 nan 0.000 0.440 669 A N -0.408 122.399 122.820 -0.022 0.000 2.206 669 A HA 0.136 4.454 4.320 -0.002 0.000 0.211 669 A C 1.329 178.848 177.584 -0.108 0.000 1.158 669 A CA 1.244 53.260 52.037 -0.037 0.000 0.761 669 A CB 0.015 19.058 19.000 0.071 0.000 0.801 669 A HN 0.555 nan 8.150 nan 0.000 0.473 670 G N -1.602 107.119 108.800 -0.132 0.000 2.935 670 G HA2 -0.021 3.938 3.960 -0.002 0.000 0.213 670 G HA3 -0.021 3.938 3.960 -0.002 0.000 0.213 670 G C 0.003 174.791 174.900 -0.185 0.000 0.984 670 G CA -0.137 44.841 45.100 -0.204 0.000 0.790 670 G HN 0.176 nan 8.290 nan 0.000 0.538 671 I N 2.232 122.703 120.570 -0.165 0.000 2.588 671 I HA 0.259 4.427 4.170 -0.002 0.000 0.283 671 I C 0.338 176.307 176.117 -0.246 0.000 1.119 671 I CA 0.480 61.634 61.300 -0.244 0.000 1.419 671 I CB 0.803 38.523 38.000 -0.467 0.000 1.394 671 I HN 0.085 nan 8.210 nan 0.000 0.562 672 D N 3.808 124.050 120.400 -0.263 0.000 2.482 672 D HA 0.115 4.754 4.640 -0.002 0.000 0.251 672 D C -0.002 176.214 176.300 -0.140 0.000 1.073 672 D CA 0.755 54.661 54.000 -0.155 0.000 0.892 672 D CB 1.379 42.096 40.800 -0.139 0.000 1.202 672 D HN 0.222 nan 8.370 nan 0.000 0.496 673 V N 1.797 121.557 119.914 -0.256 0.000 2.487 673 V HA 0.355 4.474 4.120 -0.002 0.000 0.298 673 V C -1.067 174.894 176.094 -0.221 0.000 1.028 673 V CA -0.671 61.579 62.300 -0.083 0.000 0.860 673 V CB 1.696 33.520 31.823 0.002 0.000 0.991 673 V HN -0.084 nan 8.190 nan 0.000 0.427 674 F N 3.478 123.507 119.950 0.132 0.000 2.375 674 F HA 0.538 5.064 4.527 -0.002 0.000 0.361 674 F C 0.572 176.465 175.800 0.154 0.000 1.117 674 F CA -0.547 57.538 58.000 0.143 0.000 1.037 674 F CB 1.371 40.456 39.000 0.142 0.000 1.192 674 F HN 0.325 nan 8.300 nan 0.000 0.452 675 R N 4.970 125.616 120.500 0.242 0.000 2.248 675 R HA 0.472 4.811 4.340 -0.002 0.000 0.337 675 R C -0.825 175.640 176.300 0.275 0.000 1.085 675 R CA -0.164 56.042 56.100 0.177 0.000 0.934 675 R CB 0.115 30.433 30.300 0.029 0.000 1.034 675 R HN 0.676 nan 8.270 nan 0.000 0.465 676 I N 6.262 126.984 120.570 0.254 0.000 2.385 676 I HA 0.393 4.562 4.170 -0.002 0.000 0.294 676 I C -0.465 175.806 176.117 0.256 0.000 0.988 676 I CA -0.721 60.725 61.300 0.243 0.000 1.265 676 I CB 1.060 39.203 38.000 0.239 0.000 1.388 676 I HN 0.512 nan 8.210 nan 0.000 0.480 677 F N 2.752 122.724 119.950 0.036 0.000 2.650 677 F HA 0.547 5.073 4.527 -0.002 0.000 0.310 677 F C -1.464 174.374 175.800 0.062 0.000 1.112 677 F CA -1.281 56.736 58.000 0.030 0.000 0.986 677 F CB 0.984 40.002 39.000 0.030 0.000 1.285 677 F HN 0.288 nan 8.300 nan 0.000 0.440 678 D N 1.101 121.513 120.400 0.020 0.000 2.177 678 D HA 0.379 5.018 4.640 -0.002 0.000 0.247 678 D C 0.691 177.093 176.300 0.170 0.000 1.063 678 D CA -0.072 53.915 54.000 -0.021 0.000 0.867 678 D CB 1.962 42.821 40.800 0.098 0.000 1.168 678 D HN 0.686 nan 8.370 nan 0.000 0.445 679 S N 2.483 118.254 115.700 0.118 0.000 2.660 679 S HA 0.035 4.504 4.470 -0.002 0.000 0.223 679 S C 1.044 175.767 174.600 0.205 0.000 0.963 679 S CA 0.095 58.445 58.200 0.250 0.000 0.932 679 S CB -0.254 63.069 63.200 0.205 0.000 0.775 679 S HN 0.547 nan 8.310 nan 0.000 0.531 680 L N 0.234 121.587 121.223 0.217 0.000 3.184 680 L HA 0.386 4.724 4.340 -0.002 0.000 0.283 680 L C 0.092 177.123 176.870 0.268 0.000 1.218 680 L CA -0.362 54.609 54.840 0.217 0.000 1.028 680 L CB -0.218 41.961 42.059 0.201 0.000 1.400 680 L HN 0.088 nan 8.230 nan 0.000 0.591 681 N N -0.452 118.419 118.700 0.284 0.000 2.713 681 N HA -0.240 4.499 4.740 -0.002 0.000 0.251 681 N C -0.395 175.297 175.510 0.303 0.000 1.117 681 N CA 0.775 53.999 53.050 0.289 0.000 0.770 681 N CB -1.001 37.697 38.487 0.350 0.000 1.137 681 N HN 0.434 nan 8.380 nan 0.000 0.566 682 W N 1.603 122.951 121.300 0.081 0.000 2.546 682 W HA 0.329 4.987 4.660 -0.002 0.000 0.323 682 W C 1.105 177.646 176.519 0.037 0.000 1.272 682 W CA -0.788 56.585 57.345 0.046 0.000 1.404 682 W CB -0.044 29.437 29.460 0.035 0.000 1.411 682 W HN -0.070 nan 8.180 nan 0.000 0.480 683 V N 5.163 125.148 119.914 0.118 0.000 2.407 683 V HA -0.294 3.825 4.120 -0.002 0.000 0.248 683 V C 2.074 178.058 176.094 -0.182 0.000 1.055 683 V CA 2.040 64.335 62.300 -0.008 0.000 1.049 683 V CB -0.507 31.338 31.823 0.038 0.000 0.662 683 V HN 0.447 nan 8.190 nan 0.000 0.455 684 D N -0.115 119.999 120.400 -0.476 0.000 2.190 684 D HA -0.185 4.454 4.640 -0.002 0.000 0.200 684 D C 2.245 178.223 176.300 -0.538 0.000 0.992 684 D CA 1.160 54.800 54.000 -0.601 0.000 0.854 684 D CB -0.128 40.094 40.800 -0.963 0.000 0.936 684 D HN 0.438 nan 8.370 nan 0.000 0.462 685 Q N -0.685 118.775 119.800 -0.567 0.000 2.488 685 Q HA 0.054 4.393 4.340 -0.002 0.000 0.211 685 Q C 1.842 177.751 176.000 -0.151 0.000 0.967 685 Q CA 0.327 55.938 55.803 -0.320 0.000 0.926 685 Q CB 0.159 28.785 28.738 -0.187 0.000 0.992 685 Q HN 0.459 nan 8.270 nan 0.000 0.506 686 M N -1.000 118.545 119.600 -0.092 0.000 2.465 686 M HA 0.019 4.498 4.480 -0.002 0.000 0.249 686 M C 1.651 177.985 176.300 0.057 0.000 1.130 686 M CA 0.345 55.666 55.300 0.036 0.000 1.067 686 M CB 0.282 32.962 32.600 0.134 0.000 1.394 686 M HN -0.030 nan 8.290 nan 0.000 0.483 687 K N 0.597 120.977 120.400 -0.032 0.000 2.002 687 K HA -0.088 4.231 4.320 -0.002 0.000 0.209 687 K C 1.886 178.429 176.600 -0.095 0.000 1.048 687 K CA 1.320 57.567 56.287 -0.066 0.000 0.930 687 K CB -0.294 32.153 32.500 -0.088 0.000 0.714 687 K HN 0.121 nan 8.250 nan 0.000 0.438 688 V N 1.514 121.369 119.914 -0.098 0.000 2.392 688 V HA -0.276 3.843 4.120 -0.002 0.000 0.249 688 V C 2.348 178.294 176.094 -0.247 0.000 1.059 688 V CA 2.038 64.264 62.300 -0.123 0.000 1.051 688 V CB -0.792 30.981 31.823 -0.083 0.000 0.658 688 V HN 0.370 nan 8.190 nan 0.000 0.455 689 A N 0.642 123.365 122.820 -0.162 0.000 1.873 689 A HA -0.264 4.055 4.320 -0.002 0.000 0.215 689 A C 2.102 179.585 177.584 -0.168 0.000 1.186 689 A CA 2.165 54.107 52.037 -0.157 0.000 0.616 689 A CB -0.831 18.146 19.000 -0.040 0.000 0.823 689 A HN 0.610 nan 8.150 nan 0.000 0.442 690 N N -0.091 118.542 118.700 -0.112 0.000 2.120 690 N HA -0.182 4.557 4.740 -0.002 0.000 0.188 690 N C 1.565 176.944 175.510 -0.217 0.000 1.024 690 N CA 1.926 54.853 53.050 -0.204 0.000 0.852 690 N CB -0.292 37.898 38.487 -0.494 0.000 1.003 690 N HN 0.613 nan 8.380 nan 0.000 0.424 691 E N -0.785 119.304 120.200 -0.185 0.000 2.204 691 E HA -0.080 4.269 4.350 -0.002 0.000 0.195 691 E C 1.718 178.284 176.600 -0.056 0.000 0.990 691 E CA 0.989 57.334 56.400 -0.092 0.000 0.821 691 E CB -0.101 29.602 29.700 0.005 0.000 0.750 691 E HN 0.548 nan 8.360 nan 0.000 0.477 692 A N 0.291 122.965 122.820 -0.243 0.000 1.975 692 A HA -0.043 4.276 4.320 -0.002 0.000 0.215 692 A C 2.340 179.802 177.584 -0.203 0.000 1.170 692 A CA 0.523 52.423 52.037 -0.227 0.000 0.656 692 A CB -0.120 18.580 19.000 -0.500 0.000 0.821 692 A HN 0.098 nan 8.150 nan 0.000 0.449 693 V N 0.118 119.871 119.914 -0.267 0.000 2.323 693 V HA -0.226 3.893 4.120 -0.002 0.000 0.244 693 V C 2.683 178.741 176.094 -0.060 0.000 1.041 693 V CA 1.861 63.999 62.300 -0.270 0.000 1.025 693 V CB -0.745 30.944 31.823 -0.224 0.000 0.656 693 V HN 0.524 nan 8.190 nan 0.000 0.451 694 Q N -0.021 119.763 119.800 -0.026 0.000 2.061 694 Q HA -0.275 4.064 4.340 -0.002 0.000 0.204 694 Q C 2.247 178.260 176.000 0.022 0.000 0.984 694 Q CA 1.914 57.737 55.803 0.035 0.000 0.846 694 Q CB -0.308 28.419 28.738 -0.018 0.000 0.902 694 Q HN 0.731 nan 8.270 nan 0.000 0.421 695 E N 0.166 120.368 120.200 0.003 0.000 2.153 695 E HA -0.098 4.250 4.350 -0.002 0.000 0.194 695 E C 1.424 178.029 176.600 0.008 0.000 0.988 695 E CA 0.829 57.237 56.400 0.013 0.000 0.811 695 E CB 0.071 29.794 29.700 0.039 0.000 0.746 695 E HN 0.314 nan 8.360 nan 0.000 0.466 696 A N -0.189 122.628 122.820 -0.004 0.000 2.251 696 A HA 0.252 4.571 4.320 -0.002 0.000 0.209 696 A C 1.504 179.102 177.584 0.023 0.000 1.187 696 A CA 0.737 52.775 52.037 0.002 0.000 0.823 696 A CB -0.332 18.658 19.000 -0.016 0.000 0.846 696 A HN 0.371 nan 8.150 nan 0.000 0.486 697 G N -0.358 108.459 108.800 0.029 0.000 2.221 697 G HA2 -0.235 3.724 3.960 -0.002 0.000 0.265 697 G HA3 -0.235 3.724 3.960 -0.002 0.000 0.265 697 G C 0.172 175.096 174.900 0.039 0.000 1.041 697 G CA 0.684 45.805 45.100 0.034 0.000 0.807 697 G HN 0.427 nan 8.290 nan 0.000 0.502 698 K N -0.699 119.751 120.400 0.082 0.000 2.393 698 K HA 0.662 4.981 4.320 -0.002 0.000 0.241 698 K C 0.784 177.422 176.600 0.063 0.000 1.055 698 K CA -1.126 55.235 56.287 0.124 0.000 0.951 698 K CB 0.851 33.568 32.500 0.362 0.000 1.285 698 K HN 0.178 nan 8.250 nan 0.000 0.500 699 I N 1.086 121.710 120.570 0.090 0.000 2.301 699 I HA 0.067 4.236 4.170 -0.002 0.000 0.292 699 I C 0.475 176.804 176.117 0.353 0.000 1.046 699 I CA -0.138 61.178 61.300 0.027 0.000 1.282 699 I CB 1.163 39.197 38.000 0.057 0.000 1.409 699 I HN 0.223 nan 8.210 nan 0.000 0.484 700 S N 5.710 121.765 115.700 0.592 0.000 2.499 700 S HA 0.253 4.722 4.470 -0.002 0.000 0.279 700 S C -0.321 174.664 174.600 0.643 0.000 1.219 700 S CA -0.435 58.127 58.200 0.604 0.000 1.062 700 S CB 0.629 64.096 63.200 0.444 0.000 0.978 700 S HN 0.627 nan 8.310 nan 0.000 0.489 701 E N 3.023 123.528 120.200 0.507 0.000 2.220 701 E HA 0.484 4.833 4.350 -0.002 0.000 0.256 701 E C -0.232 176.348 176.600 -0.033 0.000 0.881 701 E CA -0.605 55.959 56.400 0.273 0.000 0.766 701 E CB 1.012 30.834 29.700 0.204 0.000 1.187 701 E HN 0.714 nan 8.360 nan 0.000 0.419 702 G N 2.824 111.340 108.800 -0.473 0.000 2.355 702 G HA2 0.275 4.234 3.960 -0.002 0.000 0.276 702 G HA3 0.275 4.234 3.960 -0.002 0.000 0.276 702 G C -0.283 174.410 174.900 -0.346 0.000 1.198 702 G CA -0.139 44.368 45.100 -0.988 0.000 0.876 702 G HN 0.408 nan 8.290 nan 0.000 0.478 703 T N 2.672 117.114 114.554 -0.186 0.000 2.824 703 T HA 0.450 4.799 4.350 -0.002 0.000 0.280 703 T C 0.184 174.911 174.700 0.046 0.000 0.995 703 T CA -0.079 62.008 62.100 -0.022 0.000 1.009 703 T CB 1.255 70.159 68.868 0.061 0.000 0.955 703 T HN 0.326 nan 8.240 nan 0.000 0.452 704 I N 2.342 122.963 120.570 0.085 0.000 2.330 704 I HA 0.297 4.466 4.170 -0.002 0.000 0.289 704 I C -0.005 176.243 176.117 0.218 0.000 1.001 704 I CA -0.654 60.760 61.300 0.189 0.000 1.193 704 I CB 0.906 39.058 38.000 0.254 0.000 1.345 704 I HN 0.565 nan 8.210 nan 0.000 0.461 705 C N 5.910 125.363 119.300 0.255 0.000 2.499 705 C HA 0.166 4.625 4.460 -0.002 0.000 0.386 705 C C 0.189 175.349 174.990 0.284 0.000 1.293 705 C CA -0.490 58.655 59.018 0.212 0.000 1.884 705 C CB -0.765 27.083 27.740 0.181 0.000 2.509 705 C HN 0.540 nan 8.230 nan 0.000 0.566 706 Y N 3.486 123.835 120.300 0.083 0.000 2.359 706 Y HA 0.420 4.969 4.550 -0.002 0.000 0.334 706 Y C 0.798 176.707 175.900 0.016 0.000 1.058 706 Y CA 0.676 58.803 58.100 0.047 0.000 1.244 706 Y CB 0.508 38.915 38.460 -0.089 0.000 1.187 706 Y HN 0.846 nan 8.280 nan 0.000 0.510 707 T N 3.211 117.430 114.554 -0.557 0.000 2.773 707 T HA 0.749 5.097 4.350 -0.002 0.000 0.278 707 T C 0.313 174.539 174.700 -0.790 0.000 1.011 707 T CA -0.305 61.416 62.100 -0.632 0.000 1.014 707 T CB 0.885 69.316 68.868 -0.728 0.000 1.293 707 T HN 1.131 nan 8.240 nan 0.000 0.554 708 G N 0.742 109.268 108.800 -0.458 0.000 2.633 708 G HA2 -0.043 3.916 3.960 -0.002 0.000 0.263 708 G HA3 -0.043 3.916 3.960 -0.002 0.000 0.263 708 G C -0.938 173.871 174.900 -0.151 0.000 1.310 708 G CA 0.456 45.416 45.100 -0.233 0.000 0.914 708 G HN 1.019 nan 8.290 nan 0.000 0.569 709 D N -0.643 119.753 120.400 -0.007 0.000 2.478 709 D HA 0.433 5.072 4.640 -0.002 0.000 0.240 709 D C 1.420 177.799 176.300 0.130 0.000 1.364 709 D CA -0.028 54.031 54.000 0.098 0.000 0.987 709 D CB 0.420 41.242 40.800 0.037 0.000 1.328 709 D HN 0.885 nan 8.370 nan 0.000 0.584 710 I N 0.765 121.475 120.570 0.233 0.000 3.001 710 I HA 0.027 4.196 4.170 -0.002 0.000 0.268 710 I C 1.180 177.375 176.117 0.129 0.000 1.267 710 I CA 0.392 61.819 61.300 0.211 0.000 1.472 710 I CB -0.055 38.128 38.000 0.305 0.000 1.089 710 I HN 0.291 nan 8.210 nan 0.000 0.468 711 L N 0.724 122.004 121.223 0.096 0.000 2.240 711 L HA 0.053 4.391 4.340 -0.002 0.000 0.211 711 L C 0.718 177.609 176.870 0.034 0.000 1.106 711 L CA 0.539 55.409 54.840 0.051 0.000 0.793 711 L CB -0.460 41.609 42.059 0.018 0.000 0.927 711 L HN 0.318 nan 8.230 nan 0.000 0.446 712 N N -0.064 118.658 118.700 0.036 0.000 2.457 712 N HA 0.170 4.909 4.740 -0.002 0.000 0.250 712 N C -1.919 173.613 175.510 0.037 0.000 0.982 712 N CA -2.031 51.035 53.050 0.026 0.000 0.941 712 N CB 1.558 40.054 38.487 0.014 0.000 1.120 712 N HN -0.203 nan 8.380 nan 0.000 0.505 713 P HA -0.038 nan 4.420 nan 0.000 0.219 713 P C 0.326 177.643 177.300 0.028 0.000 1.150 713 P CA 1.132 64.250 63.100 0.030 0.000 0.814 713 P CB 0.416 32.130 31.700 0.024 0.000 0.787 714 E N -0.647 119.568 120.200 0.026 0.000 2.347 714 E HA -0.136 4.213 4.350 -0.002 0.000 0.196 714 E C 2.047 178.674 176.600 0.046 0.000 1.008 714 E CA 0.288 56.705 56.400 0.028 0.000 0.852 714 E CB -0.221 29.491 29.700 0.019 0.000 0.783 714 E HN 0.057 nan 8.360 nan 0.000 0.505 715 R N 1.182 121.713 120.500 0.052 0.000 2.070 715 R HA -0.032 4.307 4.340 -0.002 0.000 0.233 715 R C 1.171 177.531 176.300 0.100 0.000 1.137 715 R CA 1.719 57.868 56.100 0.082 0.000 0.945 715 R CB -0.077 30.264 30.300 0.069 0.000 0.845 715 R HN 0.055 nan 8.270 nan 0.000 0.430 716 S N -3.893 111.846 115.700 0.064 0.000 3.003 716 S HA 0.336 4.805 4.470 -0.002 0.000 0.313 716 S C 0.478 175.073 174.600 -0.007 0.000 1.230 716 S CA -0.065 58.157 58.200 0.037 0.000 0.977 716 S CB -0.233 63.001 63.200 0.057 0.000 1.340 716 S HN 0.133 nan 8.310 nan 0.000 0.608 717 I N -0.076 120.339 120.570 -0.259 0.000 4.042 717 I HA -0.324 3.845 4.170 -0.002 0.000 0.122 717 I C 0.080 175.775 176.117 -0.704 0.000 0.532 717 I CA 2.391 63.398 61.300 -0.489 0.000 1.137 717 I CB -1.051 36.516 38.000 -0.723 0.000 1.000 717 I HN 0.668 nan 8.210 nan 0.000 0.210 718 Y N 2.082 122.115 120.300 -0.445 0.000 2.767 718 Y HA 0.380 4.929 4.550 -0.002 0.000 0.354 718 Y C 0.993 176.698 175.900 -0.325 0.000 1.292 718 Y CA -0.352 57.343 58.100 -0.675 0.000 1.749 718 Y CB -0.226 37.876 38.460 -0.597 0.000 1.841 718 Y HN 0.098 nan 8.280 nan 0.000 0.454 719 T N -0.354 114.125 114.554 -0.125 0.000 2.880 719 T HA 0.082 4.431 4.350 -0.002 0.000 0.279 719 T C 1.167 175.965 174.700 0.164 0.000 0.990 719 T CA -0.810 61.319 62.100 0.049 0.000 0.938 719 T CB 1.073 69.961 68.868 0.033 0.000 1.206 719 T HN 0.340 nan 8.240 nan 0.000 0.573 720 L N 0.545 121.908 121.223 0.232 0.000 2.079 720 L HA -0.032 4.307 4.340 -0.002 0.000 0.210 720 L C 2.314 179.326 176.870 0.237 0.000 1.081 720 L CA 1.940 56.963 54.840 0.305 0.000 0.752 720 L CB -0.890 41.285 42.059 0.195 0.000 0.896 720 L HN 0.604 nan 8.230 nan 0.000 0.433 721 E N -1.349 118.933 120.200 0.137 0.000 2.077 721 E HA -0.264 4.085 4.350 -0.002 0.000 0.193 721 E C 2.040 178.686 176.600 0.077 0.000 0.989 721 E CA 1.357 57.812 56.400 0.092 0.000 0.800 721 E CB -0.578 29.155 29.700 0.055 0.000 0.746 721 E HN 0.619 nan 8.360 nan 0.000 0.452 722 Y N -0.080 120.152 120.300 -0.113 0.000 2.030 722 Y HA -0.380 4.169 4.550 -0.002 0.000 0.272 722 Y C 1.908 177.722 175.900 -0.144 0.000 1.185 722 Y CA 2.389 60.358 58.100 -0.218 0.000 1.120 722 Y CB -0.656 37.534 38.460 -0.450 0.000 0.955 722 Y HN 0.187 nan 8.280 nan 0.000 0.495 723 Y N -1.601 118.844 120.300 0.242 0.000 2.293 723 Y HA -0.187 4.362 4.550 -0.002 0.000 0.291 723 Y C 2.448 178.377 175.900 0.048 0.000 1.137 723 Y CA 1.027 59.218 58.100 0.151 0.000 1.202 723 Y CB -0.544 38.062 38.460 0.243 0.000 0.990 723 Y HN -0.012 nan 8.280 nan 0.000 0.537 724 V N 0.338 120.360 119.914 0.180 0.000 2.358 724 V HA -0.274 3.845 4.120 -0.002 0.000 0.246 724 V C 2.083 178.199 176.094 0.036 0.000 1.047 724 V CA 1.776 64.134 62.300 0.097 0.000 1.035 724 V CB -0.517 31.355 31.823 0.081 0.000 0.658 724 V HN 0.350 nan 8.190 nan 0.000 0.452 725 K N -0.273 120.123 120.400 -0.007 0.000 2.032 725 K HA -0.182 4.137 4.320 -0.002 0.000 0.209 725 K C 2.085 178.650 176.600 -0.059 0.000 1.048 725 K CA 1.366 57.627 56.287 -0.043 0.000 0.927 725 K CB -0.364 32.088 32.500 -0.080 0.000 0.712 725 K HN 0.215 nan 8.250 nan 0.000 0.441 726 L N 0.722 121.879 121.223 -0.110 0.000 2.056 726 L HA -0.134 4.205 4.340 -0.002 0.000 0.207 726 L C 2.355 179.217 176.870 -0.012 0.000 1.078 726 L CA 1.623 56.406 54.840 -0.096 0.000 0.749 726 L CB -0.754 41.202 42.059 -0.171 0.000 0.901 726 L HN 0.155 nan 8.230 nan 0.000 0.433 727 A N -0.748 122.085 122.820 0.022 0.000 1.858 727 A HA -0.238 4.080 4.320 -0.002 0.000 0.216 727 A C 2.352 179.956 177.584 0.034 0.000 1.190 727 A CA 1.757 53.816 52.037 0.036 0.000 0.617 727 A CB -0.471 18.561 19.000 0.054 0.000 0.827 727 A HN 0.326 nan 8.150 nan 0.000 0.443 728 K N -0.744 119.673 120.400 0.029 0.000 2.074 728 K HA -0.238 4.080 4.320 -0.002 0.000 0.209 728 K C 2.116 178.737 176.600 0.034 0.000 1.048 728 K CA 1.843 58.147 56.287 0.028 0.000 0.926 728 K CB -0.181 32.330 32.500 0.019 0.000 0.713 728 K HN 0.694 nan 8.250 nan 0.000 0.444 729 E N 0.779 120.995 120.200 0.027 0.000 2.106 729 E HA -0.136 4.213 4.350 -0.002 0.000 0.192 729 E C 1.988 178.634 176.600 0.076 0.000 0.984 729 E CA 0.647 57.068 56.400 0.036 0.000 0.806 729 E CB 0.079 29.789 29.700 0.017 0.000 0.750 729 E HN 0.218 nan 8.360 nan 0.000 0.458 730 L N 0.490 121.763 121.223 0.084 0.000 2.201 730 L HA -0.129 4.210 4.340 -0.002 0.000 0.212 730 L C 2.517 179.539 176.870 0.253 0.000 1.105 730 L CA 0.980 55.918 54.840 0.163 0.000 0.775 730 L CB -0.247 41.812 42.059 -0.001 0.000 0.913 730 L HN 0.232 nan 8.230 nan 0.000 0.440 731 E N 0.442 120.724 120.200 0.136 0.000 2.072 731 E HA -0.214 4.135 4.350 -0.002 0.000 0.191 731 E C 2.296 178.943 176.600 0.079 0.000 0.985 731 E CA 0.952 57.419 56.400 0.111 0.000 0.801 731 E CB 0.150 29.889 29.700 0.066 0.000 0.750 731 E HN 0.356 nan 8.360 nan 0.000 0.452 732 R N 0.168 120.706 120.500 0.062 0.000 2.148 732 R HA -0.062 4.277 4.340 -0.002 0.000 0.227 732 R C 1.548 177.851 176.300 0.004 0.000 1.103 732 R CA 0.897 57.013 56.100 0.027 0.000 0.983 732 R CB 0.055 30.369 30.300 0.023 0.000 0.874 732 R HN 0.131 nan 8.270 nan 0.000 0.451 733 E N -0.299 119.917 120.200 0.027 0.000 2.502 733 E HA 0.030 4.379 4.350 -0.002 0.000 0.194 733 E C 0.887 177.360 176.600 -0.212 0.000 1.062 733 E CA 0.555 56.915 56.400 -0.067 0.000 0.867 733 E CB 0.411 30.099 29.700 -0.019 0.000 0.888 733 E HN 0.499 nan 8.360 nan 0.000 0.510 734 G N 1.391 110.114 108.800 -0.128 0.000 2.160 734 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.244 734 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.244 734 G C 0.011 174.712 174.900 -0.333 0.000 1.022 734 G CA -0.179 44.801 45.100 -0.201 0.000 0.741 734 G HN 0.212 nan 8.290 nan 0.000 0.508 735 F N 0.311 120.176 119.950 -0.140 0.000 2.506 735 F HA 0.324 4.850 4.527 -0.002 0.000 0.351 735 F C 2.042 177.748 175.800 -0.157 0.000 1.136 735 F CA 0.239 58.164 58.000 -0.126 0.000 1.298 735 F CB 0.548 39.550 39.000 0.003 0.000 1.145 735 F HN 0.157 nan 8.300 nan 0.000 0.593 736 H N 2.482 121.726 119.070 0.289 0.000 2.415 736 H HA 0.244 4.799 4.556 -0.002 0.000 0.297 736 H C 0.279 175.723 175.328 0.194 0.000 1.048 736 H CA 1.094 57.266 56.048 0.206 0.000 1.365 736 H CB 0.439 30.321 29.762 0.199 0.000 1.421 736 H HN 0.302 nan 8.280 nan 0.000 0.533 737 I N 1.395 122.165 120.570 0.334 0.000 2.569 737 I HA 0.093 4.262 4.170 -0.002 0.000 0.290 737 I C -1.029 175.172 176.117 0.141 0.000 1.088 737 I CA -0.959 60.472 61.300 0.219 0.000 1.047 737 I CB 3.222 41.370 38.000 0.246 0.000 1.237 737 I HN -0.096 nan 8.210 nan 0.000 0.421 738 L N 6.714 127.988 121.223 0.085 0.000 2.281 738 L HA 0.707 5.046 4.340 -0.002 0.000 0.285 738 L C 0.040 176.938 176.870 0.046 0.000 1.074 738 L CA 0.315 55.174 54.840 0.032 0.000 0.817 738 L CB 0.776 42.852 42.059 0.028 0.000 1.168 738 L HN 0.692 nan 8.230 nan 0.000 0.434 739 A N 6.153 128.981 122.820 0.014 0.000 2.324 739 A HA 0.750 5.069 4.320 -0.002 0.000 0.330 739 A C -0.798 176.797 177.584 0.019 0.000 1.165 739 A CA -0.617 51.431 52.037 0.020 0.000 0.813 739 A CB 0.795 19.754 19.000 -0.067 0.000 1.197 739 A HN 0.560 nan 8.150 nan 0.000 0.484 740 I N 2.210 122.805 120.570 0.040 0.000 2.405 740 I HA 0.273 4.442 4.170 -0.002 0.000 0.280 740 I C 0.158 176.319 176.117 0.073 0.000 1.027 740 I CA -0.199 61.124 61.300 0.038 0.000 1.161 740 I CB 1.047 39.040 38.000 -0.011 0.000 1.300 740 I HN 0.744 nan 8.210 nan 0.000 0.463 741 K N 4.816 125.261 120.400 0.075 0.000 2.266 741 K HA 0.147 4.466 4.320 -0.002 0.000 0.274 741 K C -0.207 176.489 176.600 0.160 0.000 1.090 741 K CA -0.329 56.031 56.287 0.122 0.000 0.925 741 K CB 0.469 32.927 32.500 -0.071 0.000 1.225 741 K HN 0.354 nan 8.250 nan 0.000 0.458 742 D N 6.396 126.903 120.400 0.178 0.000 2.631 742 D HA -0.009 4.630 4.640 -0.002 0.000 0.227 742 D C 1.635 178.020 176.300 0.141 0.000 1.146 742 D CA -0.406 53.679 54.000 0.142 0.000 1.009 742 D CB 0.461 41.262 40.800 0.002 0.000 1.057 742 D HN 0.577 nan 8.370 nan 0.000 0.509 743 M N 0.641 120.304 119.600 0.105 0.000 2.195 743 M HA -0.139 4.340 4.480 -0.002 0.000 0.260 743 M C 1.047 177.193 176.300 -0.257 0.000 1.066 743 M CA 1.546 56.830 55.300 -0.027 0.000 1.089 743 M CB -1.000 31.568 32.600 -0.053 0.000 1.377 743 M HN 0.280 nan 8.290 nan 0.000 0.411 744 A N -0.057 122.696 122.820 -0.110 0.000 2.535 744 A HA 0.560 4.879 4.320 -0.002 0.000 0.273 744 A C 1.393 178.921 177.584 -0.094 0.000 1.267 744 A CA 0.318 52.274 52.037 -0.136 0.000 0.940 744 A CB -0.723 18.239 19.000 -0.063 0.000 1.101 744 A HN 0.869 nan 8.150 nan 0.000 0.521 745 G N -0.212 108.562 108.800 -0.042 0.000 2.283 745 G HA2 -0.271 3.688 3.960 -0.002 0.000 0.280 745 G HA3 -0.271 3.688 3.960 -0.002 0.000 0.280 745 G C 0.666 175.581 174.900 0.026 0.000 1.029 745 G CA 0.705 45.781 45.100 -0.041 0.000 0.840 745 G HN 0.516 nan 8.290 nan 0.000 0.505 746 L N -1.332 119.981 121.223 0.149 0.000 2.341 746 L HA 0.254 4.592 4.340 -0.002 0.000 0.214 746 L C 1.665 178.754 176.870 0.366 0.000 1.115 746 L CA -0.071 54.978 54.840 0.350 0.000 0.820 746 L CB 0.029 42.305 42.059 0.362 0.000 0.944 746 L HN 0.324 nan 8.230 nan 0.000 0.452 747 L N 2.141 123.403 121.223 0.066 0.000 2.462 747 L HA 0.095 4.433 4.340 -0.002 0.000 0.283 747 L C 0.377 177.185 176.870 -0.105 0.000 1.166 747 L CA 0.226 54.904 54.840 -0.269 0.000 0.964 747 L CB -0.453 41.229 42.059 -0.628 0.000 1.294 747 L HN -0.025 nan 8.230 nan 0.000 0.449 748 K N 6.088 126.470 120.400 -0.030 0.000 2.414 748 K HA 0.068 4.386 4.320 -0.002 0.000 0.272 748 K C -1.487 175.079 176.600 -0.057 0.000 0.993 748 K CA -1.085 55.182 56.287 -0.033 0.000 0.964 748 K CB 0.032 32.482 32.500 -0.084 0.000 0.925 748 K HN 0.323 nan 8.250 nan 0.000 0.487 749 P HA -0.343 nan 4.420 nan 0.000 0.221 749 P C 1.024 178.317 177.300 -0.013 0.000 1.160 749 P CA 1.604 64.679 63.100 -0.041 0.000 0.933 749 P CB 0.198 31.873 31.700 -0.043 0.000 0.793 750 K N -0.886 119.509 120.400 -0.008 0.000 2.057 750 K HA -0.020 4.298 4.320 -0.002 0.000 0.206 750 K C 2.016 178.653 176.600 0.061 0.000 1.050 750 K CA 1.645 57.953 56.287 0.035 0.000 0.935 750 K CB -0.962 31.549 32.500 0.017 0.000 0.715 750 K HN 0.020 nan 8.250 nan 0.000 0.439 751 A N 0.920 123.747 122.820 0.012 0.000 2.024 751 A HA -0.112 4.207 4.320 -0.002 0.000 0.220 751 A C 2.299 179.847 177.584 -0.060 0.000 1.164 751 A CA 1.998 54.034 52.037 -0.002 0.000 0.643 751 A CB -0.466 18.533 19.000 -0.002 0.000 0.806 751 A HN 0.363 nan 8.150 nan 0.000 0.451 752 A N -1.199 121.579 122.820 -0.071 0.000 1.841 752 A HA -0.068 4.250 4.320 -0.002 0.000 0.214 752 A C 2.123 179.701 177.584 -0.010 0.000 1.195 752 A CA 1.567 53.554 52.037 -0.083 0.000 0.611 752 A CB -0.987 17.973 19.000 -0.067 0.000 0.835 752 A HN 0.697 nan 8.150 nan 0.000 0.443 753 Y N 0.577 120.838 120.300 -0.064 0.000 2.114 753 Y HA -0.265 4.284 4.550 -0.002 0.000 0.282 753 Y C 2.326 178.207 175.900 -0.033 0.000 1.165 753 Y CA 2.478 60.551 58.100 -0.045 0.000 1.148 753 Y CB -0.336 38.102 38.460 -0.038 0.000 0.972 753 Y HN 0.495 nan 8.280 nan 0.000 0.504 754 E N -0.697 119.508 120.200 0.009 0.000 2.150 754 E HA -0.185 4.164 4.350 -0.002 0.000 0.193 754 E C 1.987 178.542 176.600 -0.075 0.000 0.985 754 E CA 0.952 57.325 56.400 -0.046 0.000 0.814 754 E CB -0.214 29.522 29.700 0.059 0.000 0.752 754 E HN 0.476 nan 8.360 nan 0.000 0.466 755 L N 0.185 121.366 121.223 -0.070 0.000 2.068 755 L HA -0.035 4.304 4.340 -0.002 0.000 0.204 755 L C 1.890 178.712 176.870 -0.081 0.000 1.076 755 L CA 1.261 56.063 54.840 -0.062 0.000 0.753 755 L CB -0.209 41.776 42.059 -0.123 0.000 0.910 755 L HN 0.077 nan 8.230 nan 0.000 0.439 756 I N 0.096 120.596 120.570 -0.116 0.000 2.163 756 I HA -0.138 4.031 4.170 -0.002 0.000 0.240 756 I C 2.521 178.561 176.117 -0.128 0.000 1.081 756 I CA 1.637 62.873 61.300 -0.108 0.000 1.353 756 I CB -1.196 36.743 38.000 -0.101 0.000 1.054 756 I HN 0.330 nan 8.210 nan 0.000 0.407 757 G N -0.169 108.501 108.800 -0.216 0.000 2.475 757 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.220 757 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.220 757 G C 1.630 176.448 174.900 -0.137 0.000 1.125 757 G CA 0.750 45.712 45.100 -0.230 0.000 0.755 757 G HN 0.315 nan 8.290 nan 0.000 0.565 758 E N 0.112 120.249 120.200 -0.104 0.000 2.046 758 E HA 0.018 4.367 4.350 -0.002 0.000 0.190 758 E C 2.769 179.357 176.600 -0.019 0.000 0.982 758 E CA 0.412 56.786 56.400 -0.043 0.000 0.800 758 E CB -0.246 29.450 29.700 -0.008 0.000 0.756 758 E HN 0.449 nan 8.360 nan 0.000 0.449 759 L N 0.638 121.851 121.223 -0.016 0.000 2.093 759 L HA -0.154 4.185 4.340 -0.002 0.000 0.208 759 L C 2.464 179.325 176.870 -0.015 0.000 1.085 759 L CA 0.925 55.765 54.840 -0.000 0.000 0.755 759 L CB -0.290 41.772 42.059 0.004 0.000 0.904 759 L HN -0.010 nan 8.230 nan 0.000 0.435 760 K N 0.281 120.658 120.400 -0.038 0.000 2.280 760 K HA -0.112 4.207 4.320 -0.002 0.000 0.202 760 K C 1.893 178.473 176.600 -0.033 0.000 1.047 760 K CA 1.320 57.581 56.287 -0.043 0.000 0.942 760 K CB -0.075 32.384 32.500 -0.067 0.000 0.739 760 K HN 0.333 nan 8.250 nan 0.000 0.457 761 S N -2.327 113.354 115.700 -0.030 0.000 2.578 761 S HA 0.365 4.833 4.470 -0.002 0.000 0.231 761 S C 1.266 175.861 174.600 -0.008 0.000 0.994 761 S CA 0.009 58.197 58.200 -0.021 0.000 0.956 761 S CB 0.953 64.138 63.200 -0.025 0.000 0.870 761 S HN 0.176 nan 8.310 nan 0.000 0.494 762 A N 1.036 123.854 122.820 -0.002 0.000 2.070 762 A HA 0.676 4.995 4.320 -0.002 0.000 0.202 762 A C 0.854 178.445 177.584 0.012 0.000 1.277 762 A CA 0.681 52.723 52.037 0.008 0.000 0.872 762 A CB 0.007 19.017 19.000 0.017 0.000 0.933 762 A HN 1.039 nan 8.150 nan 0.000 0.475 766 L N 3.206 124.452 121.223 0.038 0.000 2.514 766 L HA 0.232 4.570 4.340 -0.002 0.000 0.280 766 L C -1.936 174.952 176.870 0.030 0.000 1.223 766 L CA -0.587 54.286 54.840 0.055 0.000 0.864 766 L CB -0.604 41.502 42.059 0.079 0.000 1.118 766 L HN -0.195 nan 8.230 nan 0.000 0.494 767 P HA 0.103 nan 4.420 nan 0.000 0.268 767 P C -0.718 176.573 177.300 -0.014 0.000 1.208 767 P CA -0.014 63.072 63.100 -0.024 0.000 0.777 767 P CB 0.455 32.126 31.700 -0.049 0.000 0.875 768 I N 2.025 122.566 120.570 -0.049 0.000 2.339 768 I HA 0.230 4.398 4.170 -0.002 0.000 0.290 768 I C 0.301 176.402 176.117 -0.027 0.000 0.994 768 I CA -0.062 61.226 61.300 -0.021 0.000 1.191 768 I CB 0.649 38.630 38.000 -0.033 0.000 1.343 768 I HN 0.351 nan 8.210 nan 0.000 0.458 769 H N 6.499 125.523 119.070 -0.076 0.000 2.725 769 H HA 0.480 5.035 4.556 -0.002 0.000 0.283 769 H C -1.036 174.275 175.328 -0.028 0.000 1.110 769 H CA -0.989 55.009 56.048 -0.083 0.000 1.289 769 H CB 0.884 30.610 29.762 -0.060 0.000 1.400 769 H HN 0.489 nan 8.280 nan 0.000 0.493 770 L N 4.840 126.167 121.223 0.173 0.000 2.326 770 L HA 0.251 4.590 4.340 -0.002 0.000 0.278 770 L C -0.840 176.199 176.870 0.282 0.000 1.092 770 L CA -0.141 54.801 54.840 0.169 0.000 0.810 770 L CB 0.571 42.699 42.059 0.115 0.000 1.153 770 L HN 0.734 nan 8.230 nan 0.000 0.439 771 H N 2.645 121.803 119.070 0.147 0.000 2.667 771 H HA 0.700 5.255 4.556 -0.002 0.000 0.353 771 H C -1.042 174.352 175.328 0.110 0.000 1.072 771 H CA -0.106 56.025 56.048 0.138 0.000 1.214 771 H CB 1.604 31.383 29.762 0.027 0.000 1.600 771 H HN 0.737 nan 8.280 nan 0.000 0.527 772 T N 3.188 117.444 114.554 -0.497 0.000 2.762 772 T HA 0.328 4.677 4.350 -0.002 0.000 0.301 772 T C -1.755 172.653 174.700 -0.486 0.000 1.299 772 T CA -0.669 61.201 62.100 -0.383 0.000 1.005 772 T CB 0.965 69.633 68.868 -0.332 0.000 1.377 772 T HN 0.733 nan 8.240 nan 0.000 0.504 773 H N 1.113 119.976 119.070 -0.345 0.000 2.622 773 H HA 0.317 4.872 4.556 -0.002 0.000 0.363 773 H C -0.611 174.571 175.328 -0.243 0.000 1.151 773 H CA -0.502 55.389 56.048 -0.261 0.000 1.184 773 H CB 2.174 31.827 29.762 -0.181 0.000 1.643 773 H HN 0.654 nan 8.280 nan 0.000 0.531 774 D N 1.190 121.515 120.400 -0.125 0.000 2.336 774 D HA 0.010 4.649 4.640 -0.002 0.000 0.228 774 D C 0.901 177.125 176.300 -0.127 0.000 1.120 774 D CA 0.094 54.007 54.000 -0.145 0.000 0.839 774 D CB 0.339 41.055 40.800 -0.140 0.000 0.932 774 D HN 0.462 nan 8.370 nan 0.000 0.509 775 T N -1.393 113.085 114.554 -0.127 0.000 2.759 775 T HA -0.218 4.131 4.350 -0.002 0.000 0.269 775 T C 2.003 176.577 174.700 -0.209 0.000 1.042 775 T CA 1.662 63.655 62.100 -0.177 0.000 1.140 775 T CB -0.375 68.363 68.868 -0.217 0.000 0.864 775 T HN 0.331 nan 8.240 nan 0.000 0.455 776 S N 0.524 116.081 115.700 -0.239 0.000 2.481 776 S HA 0.232 4.701 4.470 -0.002 0.000 0.231 776 S C 2.076 176.599 174.600 -0.127 0.000 0.996 776 S CA 0.852 58.897 58.200 -0.258 0.000 0.942 776 S CB -0.537 62.489 63.200 -0.291 0.000 0.768 776 S HN 0.804 nan 8.310 nan 0.000 0.520 777 G N 1.786 110.521 108.800 -0.109 0.000 2.225 777 G HA2 -0.301 3.658 3.960 -0.002 0.000 0.254 777 G HA3 -0.301 3.658 3.960 -0.002 0.000 0.254 777 G C 0.408 175.270 174.900 -0.063 0.000 0.988 777 G CA 0.269 45.325 45.100 -0.074 0.000 0.625 777 G HN 0.640 nan 8.290 nan 0.000 0.527 778 N N 0.819 119.481 118.700 -0.062 0.000 2.276 778 N HA 0.372 5.110 4.740 -0.002 0.000 0.212 778 N C 2.086 177.525 175.510 -0.117 0.000 1.127 778 N CA 0.379 53.396 53.050 -0.055 0.000 0.834 778 N CB 0.205 38.694 38.487 0.004 0.000 1.014 778 N HN 0.407 nan 8.380 nan 0.000 0.491 779 G N 1.729 110.430 108.800 -0.165 0.000 2.586 779 G HA2 -0.251 3.708 3.960 -0.002 0.000 0.218 779 G HA3 -0.251 3.708 3.960 -0.002 0.000 0.218 779 G C 1.355 176.070 174.900 -0.310 0.000 1.216 779 G CA 0.608 45.533 45.100 -0.292 0.000 0.786 779 G HN 0.118 nan 8.290 nan 0.000 0.583 780 L N 0.348 121.477 121.223 -0.156 0.000 2.021 780 L HA -0.068 4.271 4.340 -0.002 0.000 0.215 780 L C 3.032 179.867 176.870 -0.058 0.000 1.074 780 L CA 1.325 56.129 54.840 -0.059 0.000 0.760 780 L CB -1.346 40.704 42.059 -0.016 0.000 0.889 780 L HN 0.231 nan 8.230 nan 0.000 0.433 781 L N -1.089 120.087 121.223 -0.078 0.000 2.079 781 L HA -0.256 4.083 4.340 -0.002 0.000 0.210 781 L C 2.467 179.291 176.870 -0.077 0.000 1.081 781 L CA 1.474 56.269 54.840 -0.074 0.000 0.752 781 L CB -0.405 41.617 42.059 -0.062 0.000 0.896 781 L HN 0.303 nan 8.230 nan 0.000 0.433 782 T N -1.485 112.999 114.554 -0.117 0.000 2.746 782 T HA -0.216 4.133 4.350 -0.002 0.000 0.267 782 T C 1.661 176.341 174.700 -0.034 0.000 1.039 782 T CA 1.377 63.404 62.100 -0.123 0.000 1.142 782 T CB -0.306 68.433 68.868 -0.214 0.000 0.866 782 T HN 0.344 nan 8.240 nan 0.000 0.444 783 Y N 1.032 121.280 120.300 -0.086 0.000 2.200 783 Y HA -0.101 4.448 4.550 -0.002 0.000 0.290 783 Y C 2.822 178.662 175.900 -0.099 0.000 1.137 783 Y CA 0.554 58.600 58.100 -0.089 0.000 1.163 783 Y CB -0.018 38.391 38.460 -0.085 0.000 0.988 783 Y HN -0.002 nan 8.280 nan 0.000 0.518 784 K N 0.571 120.996 120.400 0.043 0.000 2.063 784 K HA -0.232 4.087 4.320 -0.002 0.000 0.208 784 K C 1.758 178.302 176.600 -0.092 0.000 1.048 784 K CA 1.564 57.794 56.287 -0.095 0.000 0.928 784 K CB -0.145 32.245 32.500 -0.184 0.000 0.713 784 K HN 0.365 nan 8.250 nan 0.000 0.442 785 Q N -0.371 119.404 119.800 -0.043 0.000 2.123 785 Q HA -0.024 4.315 4.340 -0.002 0.000 0.199 785 Q C 2.077 178.142 176.000 0.109 0.000 0.966 785 Q CA 1.143 56.955 55.803 0.014 0.000 0.845 785 Q CB -0.181 28.565 28.738 0.013 0.000 0.907 785 Q HN 0.374 nan 8.270 nan 0.000 0.439 786 A N 1.116 123.977 122.820 0.068 0.000 1.877 786 A HA -0.173 4.146 4.320 -0.002 0.000 0.216 786 A C 2.165 179.758 177.584 0.015 0.000 1.186 786 A CA 1.207 53.273 52.037 0.049 0.000 0.620 786 A CB -0.732 18.314 19.000 0.076 0.000 0.822 786 A HN 0.300 nan 8.150 nan 0.000 0.443 787 I N 0.157 120.722 120.570 -0.007 0.000 2.208 787 I HA -0.262 3.907 4.170 -0.002 0.000 0.245 787 I C 1.545 177.658 176.117 -0.007 0.000 1.097 787 I CA 1.561 62.835 61.300 -0.044 0.000 1.363 787 I CB -0.435 37.519 38.000 -0.076 0.000 1.051 787 I HN 0.255 nan 8.210 nan 0.000 0.413 788 D N 0.917 121.341 120.400 0.039 0.000 2.309 788 D HA -0.085 4.554 4.640 -0.002 0.000 0.212 788 D C 1.777 178.197 176.300 0.201 0.000 0.968 788 D CA 1.155 55.223 54.000 0.112 0.000 0.882 788 D CB -0.012 40.848 40.800 0.100 0.000 0.918 788 D HN 0.383 nan 8.370 nan 0.000 0.503 789 A N -0.406 122.489 122.820 0.124 0.000 2.379 789 A HA 0.492 4.811 4.320 -0.002 0.000 0.236 789 A C 1.493 179.030 177.584 -0.078 0.000 1.272 789 A CA 0.547 52.543 52.037 -0.068 0.000 0.886 789 A CB -0.023 18.822 19.000 -0.259 0.000 0.962 789 A HN 0.156 nan 8.150 nan 0.000 0.504 790 G N -0.845 107.928 108.800 -0.046 0.000 2.171 790 G HA2 -0.128 3.831 3.960 -0.002 0.000 0.238 790 G HA3 -0.128 3.831 3.960 -0.002 0.000 0.238 790 G C 0.245 175.090 174.900 -0.092 0.000 1.039 790 G CA 0.155 45.213 45.100 -0.069 0.000 0.759 790 G HN 1.181 nan 8.290 nan 0.000 0.501 791 V N -0.093 119.764 119.914 -0.094 0.000 2.740 791 V HA 0.382 4.501 4.120 -0.002 0.000 0.303 791 V C 1.378 177.374 176.094 -0.163 0.000 1.054 791 V CA 1.121 63.352 62.300 -0.115 0.000 1.106 791 V CB 0.854 32.617 31.823 -0.100 0.000 0.957 791 V HN 0.377 nan 8.190 nan 0.000 0.486 792 D N 4.733 125.018 120.400 -0.192 0.000 2.214 792 D HA 0.204 4.843 4.640 -0.002 0.000 0.217 792 D C 0.037 176.126 176.300 -0.351 0.000 0.973 792 D CA 1.245 55.091 54.000 -0.257 0.000 0.880 792 D CB 0.106 40.752 40.800 -0.255 0.000 1.031 792 D HN 0.551 nan 8.370 nan 0.000 0.468 793 I N 0.830 121.132 120.570 -0.447 0.000 2.498 793 I HA 0.351 4.520 4.170 -0.002 0.000 0.290 793 I C -0.925 174.898 176.117 -0.489 0.000 1.032 793 I CA -1.180 59.745 61.300 -0.626 0.000 1.073 793 I CB 2.123 39.377 38.000 -1.245 0.000 1.251 793 I HN -0.124 nan 8.210 nan 0.000 0.426 794 I N 0.795 121.119 120.570 -0.410 0.000 2.740 794 I HA 0.636 4.804 4.170 -0.002 0.000 0.303 794 I C -0.994 174.973 176.117 -0.250 0.000 1.044 794 I CA -0.564 60.480 61.300 -0.426 0.000 1.064 794 I CB 1.371 38.823 38.000 -0.914 0.000 1.249 794 I HN 0.239 nan 8.210 nan 0.000 0.433 795 D N 3.139 123.484 120.400 -0.091 0.000 2.249 795 D HA 0.608 5.247 4.640 -0.002 0.000 0.246 795 D C -0.211 176.107 176.300 0.031 0.000 1.114 795 D CA 0.119 54.160 54.000 0.069 0.000 0.854 795 D CB 1.593 42.553 40.800 0.267 0.000 1.132 795 D HN 0.903 nan 8.370 nan 0.000 0.461 796 T N -1.485 113.062 114.554 -0.012 0.000 2.864 796 T HA 0.879 5.228 4.350 -0.002 0.000 0.299 796 T C -0.775 173.896 174.700 -0.049 0.000 1.166 796 T CA -1.027 61.078 62.100 0.010 0.000 1.007 796 T CB 1.846 70.725 68.868 0.019 0.000 1.219 796 T HN 0.300 nan 8.240 nan 0.000 0.506 797 A N 0.867 123.664 122.820 -0.040 0.000 2.479 797 A HA 0.881 5.200 4.320 -0.002 0.000 0.296 797 A C 0.200 177.768 177.584 -0.026 0.000 1.121 797 A CA -0.577 51.412 52.037 -0.079 0.000 0.743 797 A CB 1.360 20.287 19.000 -0.121 0.000 1.323 797 A HN 1.955 nan 8.150 nan 0.000 0.415 798 V N -0.265 119.628 119.914 -0.035 0.000 2.811 798 V HA 0.516 4.635 4.120 -0.002 0.000 0.302 798 V C 1.441 177.536 176.094 0.002 0.000 1.063 798 V CA 0.352 62.664 62.300 0.020 0.000 1.088 798 V CB 0.148 32.012 31.823 0.069 0.000 0.982 798 V HN 1.963 nan 8.190 nan 0.000 0.485 799 A N 3.824 126.654 122.820 0.016 0.000 1.906 799 A HA -0.244 4.074 4.320 -0.002 0.000 0.222 799 A C 2.300 179.884 177.584 -0.000 0.000 1.282 799 A CA 3.327 55.367 52.037 0.006 0.000 0.675 799 A CB -1.506 17.491 19.000 -0.005 0.000 0.838 799 A HN 1.923 nan 8.150 nan 0.000 0.469 800 S N -2.238 113.469 115.700 0.012 0.000 2.607 800 S HA 0.186 4.654 4.470 -0.002 0.000 0.224 800 S C 0.938 175.553 174.600 0.024 0.000 0.969 800 S CA 0.980 59.198 58.200 0.030 0.000 0.927 800 S CB 0.024 63.264 63.200 0.066 0.000 0.772 800 S HN 0.390 nan 8.310 nan 0.000 0.533 801 M N 2.031 121.616 119.600 -0.026 0.000 2.603 801 M HA 0.325 4.804 4.480 -0.002 0.000 0.380 801 M C 0.138 176.388 176.300 -0.082 0.000 1.158 801 M CA -0.056 55.195 55.300 -0.082 0.000 0.921 801 M CB 0.185 32.650 32.600 -0.225 0.000 1.417 801 M HN 0.466 nan 8.290 nan 0.000 0.523 802 S N -0.695 114.974 115.700 -0.051 0.000 2.689 802 S HA 0.955 5.424 4.470 -0.002 0.000 0.306 802 S C 0.329 174.902 174.600 -0.046 0.000 1.104 802 S CA 0.122 58.290 58.200 -0.054 0.000 0.973 802 S CB 2.571 65.751 63.200 -0.034 0.000 1.121 802 S HN 0.665 nan 8.310 nan 0.000 0.523 803 G N 0.141 108.905 108.800 -0.060 0.000 2.707 803 G HA2 0.105 4.064 3.960 -0.002 0.000 0.686 803 G HA3 0.105 4.064 3.960 -0.002 0.000 0.686 803 G C -0.105 174.758 174.900 -0.062 0.000 1.315 803 G CA -0.466 44.599 45.100 -0.058 0.000 0.832 803 G HN 1.800 nan 8.290 nan 0.000 0.573 804 L N -2.481 118.700 121.223 -0.069 0.000 6.032 804 L HA -0.371 3.968 4.340 -0.002 0.000 0.053 804 L C 2.782 179.601 176.870 -0.085 0.000 2.286 804 L CA 3.190 57.979 54.840 -0.085 0.000 1.682 804 L CB -1.868 40.148 42.059 -0.071 0.000 2.737 804 L HN 1.892 nan 8.230 nan 0.000 0.986 805 T N -2.920 111.586 114.554 -0.080 0.000 3.051 805 T HA 0.014 4.363 4.350 -0.002 0.000 0.269 805 T C 0.942 175.717 174.700 0.124 0.000 1.127 805 T CA 1.052 63.138 62.100 -0.023 0.000 1.107 805 T CB 0.035 68.876 68.868 -0.046 0.000 0.898 805 T HN 0.473 nan 8.240 nan 0.000 0.517 806 S N 0.920 116.620 115.700 0.000 0.000 2.598 806 S HA 0.325 4.794 4.470 -0.002 0.000 0.267 806 S C 0.240 174.694 174.600 -0.243 0.000 1.189 806 S CA -0.942 57.200 58.200 -0.096 0.000 1.010 806 S CB 0.492 63.638 63.200 -0.090 0.000 1.084 806 S HN 0.593 nan 8.310 nan 0.000 0.541 807 Q N 0.205 119.830 119.800 -0.293 0.000 2.193 807 Q HA 0.481 4.820 4.340 -0.002 0.000 0.246 807 Q C -2.771 173.146 176.000 -0.138 0.000 0.959 807 Q CA -2.404 53.230 55.803 -0.282 0.000 0.904 807 Q CB -0.773 27.804 28.738 -0.268 0.000 1.238 807 Q HN 0.307 nan 8.270 nan 0.000 0.469 808 P HA -0.088 nan 4.420 nan 0.000 0.266 808 P C -0.177 177.139 177.300 0.027 0.000 1.193 808 P CA 0.341 63.422 63.100 -0.032 0.000 0.770 808 P CB 0.400 32.106 31.700 0.010 0.000 0.836 809 S N 2.573 118.287 115.700 0.024 0.000 2.544 809 S HA 0.157 4.626 4.470 -0.002 0.000 0.290 809 S C 1.507 176.157 174.600 0.084 0.000 1.276 809 S CA 0.095 58.322 58.200 0.044 0.000 1.075 809 S CB -0.267 62.959 63.200 0.043 0.000 0.849 809 S HN 0.451 nan 8.310 nan 0.000 0.494 810 A N 5.673 128.543 122.820 0.084 0.000 1.930 810 A HA -0.085 4.233 4.320 -0.002 0.000 0.217 810 A C 2.071 179.739 177.584 0.140 0.000 1.175 810 A CA 1.407 53.510 52.037 0.111 0.000 0.627 810 A CB -0.681 18.393 19.000 0.122 0.000 0.815 810 A HN 0.966 nan 8.150 nan 0.000 0.443 811 N N 0.258 119.030 118.700 0.119 0.000 2.120 811 N HA -0.116 4.623 4.740 -0.002 0.000 0.188 811 N C 1.888 177.557 175.510 0.266 0.000 1.024 811 N CA 1.587 54.726 53.050 0.149 0.000 0.852 811 N CB -0.209 38.342 38.487 0.106 0.000 1.003 811 N HN 0.423 nan 8.380 nan 0.000 0.424 812 S N 1.466 117.283 115.700 0.196 0.000 2.368 812 S HA -0.057 4.412 4.470 -0.002 0.000 0.224 812 S C 2.004 176.730 174.600 0.208 0.000 1.029 812 S CA 0.466 58.785 58.200 0.199 0.000 0.988 812 S CB -0.277 62.988 63.200 0.110 0.000 0.838 812 S HN 0.171 nan 8.310 nan 0.000 0.462 813 L N 0.848 122.170 121.223 0.166 0.000 2.083 813 L HA -0.060 4.279 4.340 -0.002 0.000 0.209 813 L C 1.970 178.916 176.870 0.127 0.000 1.083 813 L CA 1.631 56.549 54.840 0.129 0.000 0.752 813 L CB -0.828 41.298 42.059 0.112 0.000 0.899 813 L HN 0.348 nan 8.230 nan 0.000 0.433 814 Y N -0.779 119.538 120.300 0.029 0.000 2.081 814 Y HA -0.378 4.170 4.550 -0.002 0.000 0.280 814 Y C 2.236 178.085 175.900 -0.086 0.000 1.163 814 Y CA 2.394 60.451 58.100 -0.071 0.000 1.135 814 Y CB -0.587 37.762 38.460 -0.186 0.000 0.970 814 Y HN 0.274 nan 8.280 nan 0.000 0.498 815 Y N -0.645 119.794 120.300 0.232 0.000 2.373 815 Y HA -0.077 4.472 4.550 -0.002 0.000 0.293 815 Y C 2.510 178.456 175.900 0.077 0.000 1.129 815 Y CA 0.686 58.872 58.100 0.142 0.000 1.226 815 Y CB -0.602 37.958 38.460 0.167 0.000 1.000 815 Y HN 0.256 nan 8.280 nan 0.000 0.549 816 A N -0.111 122.833 122.820 0.207 0.000 2.019 816 A HA -0.109 4.210 4.320 -0.002 0.000 0.219 816 A C 1.907 179.589 177.584 0.164 0.000 1.164 816 A CA 1.273 53.401 52.037 0.151 0.000 0.644 816 A CB -0.801 18.247 19.000 0.080 0.000 0.805 816 A HN 0.515 nan 8.150 nan 0.000 0.449 817 L N -0.385 120.897 121.223 0.099 0.000 2.567 817 L HA 0.058 4.397 4.340 -0.002 0.000 0.225 817 L C 0.123 177.124 176.870 0.218 0.000 1.119 817 L CA -0.311 54.625 54.840 0.160 0.000 0.871 817 L CB -0.507 41.555 42.059 0.005 0.000 1.036 817 L HN 0.327 nan 8.230 nan 0.000 0.459 818 N N 1.452 120.215 118.700 0.104 0.000 2.332 818 N HA 0.020 4.759 4.740 -0.002 0.000 0.274 818 N C 1.131 176.647 175.510 0.011 0.000 1.351 818 N CA 0.688 53.758 53.050 0.033 0.000 0.875 818 N CB 0.407 38.934 38.487 0.067 0.000 1.140 818 N HN 0.406 nan 8.380 nan 0.000 0.489 819 G N 2.625 111.391 108.800 -0.057 0.000 2.345 819 G HA2 -0.283 3.675 3.960 -0.002 0.000 0.218 819 G HA3 -0.283 3.675 3.960 -0.002 0.000 0.218 819 G C 0.067 174.845 174.900 -0.203 0.000 1.058 819 G CA -0.538 44.458 45.100 -0.173 0.000 0.632 819 G HN 0.480 nan 8.290 nan 0.000 0.508 820 F N 2.262 122.197 119.950 -0.026 0.000 2.450 820 F HA 0.439 4.965 4.527 -0.002 0.000 0.339 820 F C -0.060 175.733 175.800 -0.012 0.000 1.146 820 F CA -0.999 56.989 58.000 -0.019 0.000 1.267 820 F CB 0.426 39.415 39.000 -0.019 0.000 1.178 820 F HN -0.079 nan 8.300 nan 0.000 0.585 821 P HA -0.187 nan 4.420 nan 0.000 0.217 821 P C -0.261 177.102 177.300 0.104 0.000 1.162 821 P CA 1.689 64.851 63.100 0.103 0.000 0.901 821 P CB 0.141 31.892 31.700 0.086 0.000 0.793 822 R N -0.429 120.126 120.500 0.091 0.000 2.312 822 R HA 0.354 4.693 4.340 -0.002 0.000 0.311 822 R C 0.301 176.634 176.300 0.055 0.000 1.004 822 R CA -0.525 55.592 56.100 0.029 0.000 0.902 822 R CB 0.642 30.917 30.300 -0.041 0.000 1.073 822 R HN 0.427 nan 8.270 nan 0.000 0.457 823 H N -0.271 118.752 119.070 -0.078 0.000 2.595 823 H HA 0.458 5.013 4.556 -0.002 0.000 0.346 823 H C -0.789 174.465 175.328 -0.124 0.000 1.181 823 H CA -1.158 54.810 56.048 -0.133 0.000 1.242 823 H CB 0.926 30.584 29.762 -0.174 0.000 1.652 823 H HN 0.272 nan 8.280 nan 0.000 0.548 824 L N 1.385 122.560 121.223 -0.080 0.000 2.290 824 L HA 0.260 4.599 4.340 -0.002 0.000 0.284 824 L C 0.260 177.156 176.870 0.044 0.000 1.078 824 L CA -0.229 54.583 54.840 -0.045 0.000 0.815 824 L CB 0.734 42.804 42.059 0.018 0.000 1.162 824 L HN 0.727 nan 8.230 nan 0.000 0.435 825 R N 4.225 124.725 120.500 0.000 0.000 2.308 825 R HA 0.420 4.759 4.340 -0.002 0.000 0.325 825 R C -0.596 175.776 176.300 0.121 0.000 1.161 825 R CA 0.339 56.472 56.100 0.055 0.000 1.022 825 R CB 0.087 30.385 30.300 -0.003 0.000 1.091 825 R HN 0.889 nan 8.270 nan 0.000 0.497 826 T N 1.054 115.704 114.554 0.159 0.000 2.661 826 T HA 0.047 4.396 4.350 -0.002 0.000 0.303 826 T C -2.056 172.654 174.700 0.016 0.000 1.658 826 T CA -0.728 61.437 62.100 0.108 0.000 0.974 826 T CB 1.230 70.190 68.868 0.154 0.000 1.857 826 T HN 0.501 nan 8.240 nan 0.000 0.475 827 D N 0.996 121.327 120.400 -0.116 0.000 2.373 827 D HA 0.414 5.053 4.640 -0.002 0.000 0.227 827 D C 1.402 177.511 176.300 -0.317 0.000 1.091 827 D CA -0.651 53.230 54.000 -0.198 0.000 0.840 827 D CB 0.692 41.368 40.800 -0.208 0.000 1.060 827 D HN 0.437 nan 8.370 nan 0.000 0.502 828 I N 3.021 123.309 120.570 -0.470 0.000 2.072 828 I HA -0.145 4.023 4.170 -0.002 0.000 0.235 828 I C 2.256 178.202 176.117 -0.284 0.000 1.058 828 I CA 1.029 61.961 61.300 -0.612 0.000 1.320 828 I CB -0.650 36.897 38.000 -0.755 0.000 1.047 828 I HN 0.477 nan 8.210 nan 0.000 0.397 829 E N 0.840 120.929 120.200 -0.185 0.000 2.160 829 E HA -0.178 4.171 4.350 -0.002 0.000 0.195 829 E C 2.353 178.905 176.600 -0.080 0.000 0.991 829 E CA 1.166 57.516 56.400 -0.084 0.000 0.810 829 E CB -0.331 29.338 29.700 -0.053 0.000 0.742 829 E HN 0.595 nan 8.360 nan 0.000 0.466 830 G N 0.555 109.274 108.800 -0.135 0.000 2.404 830 G HA2 -0.239 3.719 3.960 -0.002 0.000 0.215 830 G HA3 -0.239 3.719 3.960 -0.002 0.000 0.215 830 G C 1.519 176.321 174.900 -0.164 0.000 1.174 830 G CA 0.608 45.616 45.100 -0.153 0.000 0.780 830 G HN 0.159 nan 8.290 nan 0.000 0.537 831 M N 0.314 119.792 119.600 -0.203 0.000 2.175 831 M HA -0.020 4.459 4.480 -0.002 0.000 0.264 831 M C 2.539 178.808 176.300 -0.051 0.000 1.063 831 M CA 0.979 56.190 55.300 -0.147 0.000 1.119 831 M CB -0.225 32.294 32.600 -0.134 0.000 1.377 831 M HN 0.148 nan 8.290 nan 0.000 0.415 832 E N 0.044 120.217 120.200 -0.045 0.000 2.049 832 E HA -0.217 4.131 4.350 -0.002 0.000 0.198 832 E C 2.066 178.704 176.600 0.063 0.000 1.007 832 E CA 1.839 58.237 56.400 -0.004 0.000 0.809 832 E CB -0.693 29.037 29.700 0.050 0.000 0.749 832 E HN 0.436 nan 8.360 nan 0.000 0.450 833 S N 0.391 116.143 115.700 0.086 0.000 2.383 833 S HA -0.116 4.353 4.470 -0.002 0.000 0.229 833 S C 2.155 176.839 174.600 0.140 0.000 1.030 833 S CA 0.796 59.074 58.200 0.130 0.000 1.002 833 S CB -0.177 63.052 63.200 0.049 0.000 0.829 833 S HN 0.174 nan 8.310 nan 0.000 0.467 834 L N 0.831 122.112 121.223 0.098 0.000 2.027 834 L HA -0.045 4.294 4.340 -0.002 0.000 0.206 834 L C 2.951 180.014 176.870 0.322 0.000 1.074 834 L CA 1.416 56.381 54.840 0.209 0.000 0.745 834 L CB -0.903 41.273 42.059 0.194 0.000 0.898 834 L HN 0.400 nan 8.230 nan 0.000 0.433 835 S N -0.899 114.901 115.700 0.166 0.000 2.365 835 S HA -0.259 4.210 4.470 -0.002 0.000 0.225 835 S C 2.074 176.711 174.600 0.061 0.000 1.039 835 S CA 1.420 59.672 58.200 0.087 0.000 1.033 835 S CB -0.347 62.803 63.200 -0.083 0.000 0.887 835 S HN 0.439 nan 8.310 nan 0.000 0.447 836 H N -1.048 118.106 119.070 0.139 0.000 2.387 836 H HA -0.095 4.460 4.556 -0.002 0.000 0.299 836 H C 1.973 177.359 175.328 0.097 0.000 1.090 836 H CA 1.769 57.877 56.048 0.100 0.000 1.332 836 H CB -0.804 29.002 29.762 0.075 0.000 1.386 836 H HN 0.705 nan 8.280 nan 0.000 0.516 837 Y N 0.051 120.416 120.300 0.109 0.000 2.133 837 Y HA -0.235 4.314 4.550 -0.002 0.000 0.287 837 Y C 2.069 177.915 175.900 -0.090 0.000 1.134 837 Y CA 1.436 59.511 58.100 -0.042 0.000 1.133 837 Y CB -0.735 37.640 38.460 -0.141 0.000 0.987 837 Y HN 0.035 nan 8.280 nan 0.000 0.502 838 W N -0.201 121.112 121.300 0.022 0.000 2.519 838 W HA -0.065 4.594 4.660 -0.002 0.000 0.266 838 W C 2.945 179.391 176.519 -0.122 0.000 1.253 838 W CA 1.082 58.372 57.345 -0.093 0.000 1.274 838 W CB -0.378 29.132 29.460 0.083 0.000 1.114 838 W HN 0.077 nan 8.180 nan 0.000 0.596 839 S N -0.317 115.457 115.700 0.124 0.000 2.368 839 S HA -0.179 4.290 4.470 -0.002 0.000 0.225 839 S C 1.802 176.387 174.600 -0.025 0.000 1.030 839 S CA 2.165 60.402 58.200 0.062 0.000 0.999 839 S CB -0.435 62.810 63.200 0.076 0.000 0.844 839 S HN 0.193 nan 8.310 nan 0.000 0.459 840 T N 1.112 115.591 114.554 -0.125 0.000 2.851 840 T HA 0.042 4.391 4.350 -0.002 0.000 0.262 840 T C 1.859 176.226 174.700 -0.554 0.000 1.043 840 T CA 1.162 63.125 62.100 -0.229 0.000 1.140 840 T CB -0.399 68.353 68.868 -0.194 0.000 0.872 840 T HN 0.237 nan 8.240 nan 0.000 0.446 841 V N 1.680 121.164 119.914 -0.716 0.000 2.407 841 V HA -0.146 3.973 4.120 -0.002 0.000 0.248 841 V C 2.652 178.449 176.094 -0.494 0.000 1.055 841 V CA 1.588 63.269 62.300 -1.033 0.000 1.049 841 V CB -0.609 30.729 31.823 -0.809 0.000 0.662 841 V HN 0.358 nan 8.190 nan 0.000 0.455 842 R N -0.349 120.120 120.500 -0.053 0.000 2.127 842 R HA -0.194 4.145 4.340 -0.002 0.000 0.238 842 R C 2.353 178.745 176.300 0.153 0.000 1.134 842 R CA 1.908 58.122 56.100 0.190 0.000 0.975 842 R CB -0.487 29.910 30.300 0.161 0.000 0.865 842 R HN 0.458 nan 8.270 nan 0.000 0.447 843 T N 0.058 114.601 114.554 -0.018 0.000 2.849 843 T HA -0.155 4.194 4.350 -0.002 0.000 0.270 843 T C 1.165 176.013 174.700 0.247 0.000 1.066 843 T CA 1.331 63.491 62.100 0.100 0.000 1.130 843 T CB -0.239 68.691 68.868 0.103 0.000 0.864 843 T HN 0.460 nan 8.240 nan 0.000 0.481 844 Y N -1.265 119.037 120.300 0.003 0.000 2.293 844 Y HA -0.078 4.471 4.550 -0.002 0.000 0.291 844 Y C 1.398 177.256 175.900 -0.070 0.000 1.137 844 Y CA 0.386 58.365 58.100 -0.203 0.000 1.202 844 Y CB -0.103 38.053 38.460 -0.508 0.000 0.990 844 Y HN 0.292 nan 8.280 nan 0.000 0.537 845 Y N -0.210 120.312 120.300 0.370 0.000 2.571 845 Y HA 0.014 4.563 4.550 -0.002 0.000 0.275 845 Y C 2.266 178.319 175.900 0.255 0.000 1.179 845 Y CA -0.061 58.272 58.100 0.387 0.000 1.242 845 Y CB -0.179 38.518 38.460 0.394 0.000 1.126 845 Y HN 0.106 nan 8.280 nan 0.000 0.524 846 S N -0.497 115.360 115.700 0.261 0.000 2.380 846 S HA -0.277 4.192 4.470 -0.002 0.000 0.229 846 S C 1.549 176.165 174.600 0.027 0.000 1.043 846 S CA 1.899 60.188 58.200 0.148 0.000 1.038 846 S CB -0.354 62.921 63.200 0.124 0.000 0.872 846 S HN 0.386 nan 8.310 nan 0.000 0.456 847 D N 0.868 121.186 120.400 -0.137 0.000 2.315 847 D HA -0.041 4.598 4.640 -0.002 0.000 0.211 847 D C 0.913 176.906 176.300 -0.511 0.000 0.977 847 D CA 0.925 54.682 54.000 -0.405 0.000 0.894 847 D CB -0.346 40.037 40.800 -0.696 0.000 0.910 847 D HN 0.652 nan 8.370 nan 0.000 0.490 848 F N 0.279 120.247 119.950 0.029 0.000 2.678 848 F HA 0.142 4.668 4.527 -0.002 0.000 0.305 848 F C 1.411 177.225 175.800 0.023 0.000 1.090 848 F CA -0.411 57.600 58.000 0.018 0.000 1.272 848 F CB 0.369 39.398 39.000 0.048 0.000 1.060 848 F HN -0.322 nan 8.300 nan 0.000 0.576 853 D N 1.004 121.430 120.400 0.044 0.000 2.325 853 D HA 0.260 4.899 4.640 -0.002 0.000 0.234 853 D C 0.199 176.557 176.300 0.098 0.000 1.122 853 D CA 0.254 54.284 54.000 0.050 0.000 0.850 853 D CB -0.405 40.403 40.800 0.013 0.000 0.921 853 D HN 0.496 nan 8.370 nan 0.000 0.513 854 I N -1.286 119.350 120.570 0.111 0.000 2.331 854 I HA 0.312 4.480 4.170 -0.002 0.000 0.292 854 I C 0.819 176.950 176.117 0.023 0.000 0.998 854 I CA -0.573 60.757 61.300 0.050 0.000 1.267 854 I CB 1.564 39.542 38.000 -0.036 0.000 1.386 854 I HN -0.205 nan 8.210 nan 0.000 0.476 855 K N 2.292 122.700 120.400 0.014 0.000 2.438 855 K HA 0.481 4.800 4.320 -0.002 0.000 0.206 855 K C 0.034 176.631 176.600 -0.005 0.000 1.081 855 K CA -0.297 55.995 56.287 0.007 0.000 1.053 855 K CB 0.559 33.068 32.500 0.015 0.000 0.908 855 K HN 0.493 nan 8.250 nan 0.000 0.556 856 S N 1.884 117.575 115.700 -0.015 0.000 2.569 856 S HA 0.459 4.928 4.470 -0.002 0.000 0.280 856 S C -2.796 171.775 174.600 -0.048 0.000 1.111 856 S CA -1.380 56.806 58.200 -0.024 0.000 0.887 856 S CB 1.721 64.914 63.200 -0.011 0.000 1.095 856 S HN 0.039 nan 8.310 nan 0.000 0.476 857 P HA 0.170 nan 4.420 nan 0.000 0.266 857 P C -1.025 176.229 177.300 -0.077 0.000 1.195 857 P CA -0.144 62.909 63.100 -0.080 0.000 0.768 857 P CB 0.162 31.822 31.700 -0.067 0.000 0.838 858 N N 1.169 119.800 118.700 -0.114 0.000 2.399 858 N HA 0.164 4.903 4.740 -0.002 0.000 0.284 858 N C 0.694 176.104 175.510 -0.165 0.000 1.025 858 N CA -0.456 52.535 53.050 -0.098 0.000 0.885 858 N CB 0.959 39.404 38.487 -0.070 0.000 1.339 858 N HN 0.247 nan 8.380 nan 0.000 0.487 859 T N -0.158 114.330 114.554 -0.111 0.000 3.113 859 T HA 0.077 4.426 4.350 -0.002 0.000 0.256 859 T C 0.864 175.487 174.700 -0.127 0.000 1.131 859 T CA 0.608 62.635 62.100 -0.121 0.000 1.074 859 T CB -0.056 68.847 68.868 0.058 0.000 0.944 859 T HN 0.544 nan 8.240 nan 0.000 0.516 860 E N 0.895 121.019 120.200 -0.125 0.000 2.478 860 E HA 0.023 4.372 4.350 -0.002 0.000 0.198 860 E C 1.457 177.728 176.600 -0.549 0.000 1.046 860 E CA 0.149 56.448 56.400 -0.168 0.000 0.870 860 E CB -0.134 29.556 29.700 -0.017 0.000 0.818 860 E HN 0.481 nan 8.360 nan 0.000 0.527 861 I N 0.159 120.410 120.570 -0.532 0.000 2.567 861 I HA -0.251 3.918 4.170 -0.002 0.000 0.257 861 I C 1.557 177.402 176.117 -0.453 0.000 1.184 861 I CA 1.397 62.333 61.300 -0.606 0.000 1.451 861 I CB -1.270 36.496 38.000 -0.390 0.000 1.089 861 I HN 0.233 nan 8.210 nan 0.000 0.441 862 Y N 1.160 121.326 120.300 -0.223 0.000 2.574 862 Y HA -0.163 4.386 4.550 -0.002 0.000 0.294 862 Y C 2.538 178.367 175.900 -0.119 0.000 1.142 862 Y CA 0.307 58.333 58.100 -0.124 0.000 1.314 862 Y CB 0.013 38.430 38.460 -0.072 0.000 0.991 862 Y HN 0.249 nan 8.280 nan 0.000 0.555 863 Q N -0.815 118.924 119.800 -0.102 0.000 2.226 863 Q HA -0.050 4.289 4.340 -0.002 0.000 0.199 863 Q C 1.490 177.499 176.000 0.016 0.000 0.945 863 Q CA 1.331 57.108 55.803 -0.043 0.000 0.861 863 Q CB -0.407 28.302 28.738 -0.048 0.000 0.953 863 Q HN 0.742 nan 8.270 nan 0.000 0.490 864 H N -0.549 118.570 119.070 0.081 0.000 2.594 864 H HA 0.367 4.922 4.556 -0.002 0.000 0.279 864 H C -0.580 174.785 175.328 0.060 0.000 1.042 864 H CA -0.026 56.079 56.048 0.094 0.000 1.177 864 H CB 0.257 30.046 29.762 0.044 0.000 1.524 864 H HN 0.150 nan 8.280 nan 0.000 0.537 865 E N 1.058 121.298 120.200 0.067 0.000 2.325 865 E HA -0.228 4.121 4.350 -0.002 0.000 0.232 865 E C -0.320 176.304 176.600 0.040 0.000 1.276 865 E CA 0.270 56.703 56.400 0.056 0.000 0.717 865 E CB -1.107 28.635 29.700 0.069 0.000 1.192 865 E HN 0.587 nan 8.360 nan 0.000 0.380 866 M N 1.092 120.666 119.600 -0.044 0.000 2.184 866 M HA 0.156 4.635 4.480 -0.002 0.000 0.351 866 M C -2.204 174.029 176.300 -0.112 0.000 1.395 866 M CA -1.776 53.357 55.300 -0.278 0.000 1.117 866 M CB 0.589 32.984 32.600 -0.341 0.000 1.708 866 M HN -0.232 nan 8.290 nan 0.000 0.468 867 P HA 0.000 nan 4.420 nan 0.000 0.264 867 P C 0.526 177.734 177.300 -0.153 0.000 1.183 867 P CA 0.271 63.298 63.100 -0.121 0.000 0.763 867 P CB 0.452 32.129 31.700 -0.039 0.000 0.807 868 G N 2.718 111.268 108.800 -0.415 0.000 2.559 868 G HA2 -0.125 3.834 3.960 -0.002 0.000 0.216 868 G HA3 -0.125 3.834 3.960 -0.002 0.000 0.216 868 G C 1.472 176.341 174.900 -0.052 0.000 1.126 868 G CA 0.725 45.637 45.100 -0.314 0.000 0.778 868 G HN 0.619 nan 8.290 nan 0.000 0.543 869 G N -0.282 108.477 108.800 -0.068 0.000 2.459 869 G HA2 -0.068 3.891 3.960 -0.002 0.000 0.213 869 G HA3 -0.068 3.891 3.960 -0.002 0.000 0.213 869 G C 1.531 176.481 174.900 0.083 0.000 1.155 869 G CA 0.793 45.941 45.100 0.080 0.000 0.811 869 G HN 0.488 nan 8.290 nan 0.000 0.534 870 Q N -0.931 118.914 119.800 0.075 0.000 2.170 870 Q HA -0.153 4.186 4.340 -0.002 0.000 0.203 870 Q C 2.001 178.067 176.000 0.109 0.000 0.976 870 Q CA 0.912 56.774 55.803 0.098 0.000 0.858 870 Q CB -0.269 28.529 28.738 0.100 0.000 0.907 870 Q HN 0.544 nan 8.270 nan 0.000 0.433 871 Y N 0.970 121.279 120.300 0.014 0.000 2.014 871 Y HA -0.348 4.201 4.550 -0.002 0.000 0.272 871 Y C 2.740 178.653 175.900 0.022 0.000 1.164 871 Y CA 2.516 60.642 58.100 0.044 0.000 1.114 871 Y CB -0.508 37.965 38.460 0.021 0.000 0.961 871 Y HN 0.352 nan 8.280 nan 0.000 0.489 872 S N -0.687 115.098 115.700 0.142 0.000 2.402 872 S HA -0.165 4.304 4.470 -0.002 0.000 0.229 872 S C 1.635 176.220 174.600 -0.026 0.000 1.021 872 S CA 1.349 59.568 58.200 0.032 0.000 0.974 872 S CB -0.818 62.434 63.200 0.086 0.000 0.800 872 S HN 0.574 nan 8.310 nan 0.000 0.484 873 N N 1.434 120.140 118.700 0.011 0.000 2.120 873 N HA 0.063 4.802 4.740 -0.002 0.000 0.188 873 N C 1.611 177.127 175.510 0.010 0.000 1.024 873 N CA 1.147 54.206 53.050 0.016 0.000 0.852 873 N CB -0.323 38.200 38.487 0.060 0.000 1.003 873 N HN 0.277 nan 8.380 nan 0.000 0.424 874 L N 0.144 121.372 121.223 0.008 0.000 2.240 874 L HA 0.071 4.410 4.340 -0.002 0.000 0.211 874 L C 1.839 178.696 176.870 -0.021 0.000 1.106 874 L CA 1.057 55.931 54.840 0.057 0.000 0.793 874 L CB -0.193 41.944 42.059 0.131 0.000 0.927 874 L HN 0.032 nan 8.230 nan 0.000 0.446 875 S N -0.759 114.742 115.700 -0.332 0.000 2.356 875 S HA -0.241 4.228 4.470 -0.002 0.000 0.223 875 S C 1.882 176.310 174.600 -0.288 0.000 1.032 875 S CA 1.301 59.089 58.200 -0.687 0.000 1.005 875 S CB -0.282 62.466 63.200 -0.754 0.000 0.867 875 S HN 0.436 nan 8.310 nan 0.000 0.449 876 Q N 1.277 120.995 119.800 -0.138 0.000 2.170 876 Q HA -0.054 4.285 4.340 -0.002 0.000 0.203 876 Q C 2.103 178.108 176.000 0.009 0.000 0.976 876 Q CA 1.407 57.186 55.803 -0.039 0.000 0.858 876 Q CB -0.289 28.444 28.738 -0.007 0.000 0.907 876 Q HN 0.616 nan 8.270 nan 0.000 0.433 877 Q N -1.373 118.443 119.800 0.025 0.000 2.049 877 Q HA -0.084 4.255 4.340 -0.002 0.000 0.198 877 Q C 1.844 177.892 176.000 0.080 0.000 0.971 877 Q CA 1.263 57.110 55.803 0.073 0.000 0.833 877 Q CB -0.175 28.617 28.738 0.091 0.000 0.896 877 Q HN 0.450 nan 8.270 nan 0.000 0.434 878 A N 1.143 124.017 122.820 0.091 0.000 1.902 878 A HA -0.221 4.098 4.320 -0.002 0.000 0.217 878 A C 1.990 179.612 177.584 0.063 0.000 1.181 878 A CA 1.683 53.794 52.037 0.123 0.000 0.623 878 A CB -0.534 18.635 19.000 0.281 0.000 0.818 878 A HN 0.331 nan 8.150 nan 0.000 0.443 879 K N -0.529 119.874 120.400 0.006 0.000 2.103 879 K HA -0.141 4.178 4.320 -0.002 0.000 0.207 879 K C 2.293 178.909 176.600 0.027 0.000 1.048 879 K CA 1.580 57.866 56.287 -0.003 0.000 0.930 879 K CB -0.200 32.277 32.500 -0.037 0.000 0.716 879 K HN 0.416 nan 8.250 nan 0.000 0.444 880 S N 0.117 115.845 115.700 0.046 0.000 2.406 880 S HA -0.020 4.449 4.470 -0.002 0.000 0.228 880 S C 1.301 175.938 174.600 0.062 0.000 1.020 880 S CA 0.597 58.835 58.200 0.064 0.000 0.965 880 S CB 0.058 63.313 63.200 0.091 0.000 0.798 880 S HN 0.234 nan 8.310 nan 0.000 0.488 881 L N 1.402 122.663 121.223 0.065 0.000 2.653 881 L HA 0.369 4.708 4.340 -0.002 0.000 0.232 881 L C 1.354 178.254 176.870 0.050 0.000 1.169 881 L CA 0.716 55.594 54.840 0.063 0.000 0.951 881 L CB -0.279 41.826 42.059 0.076 0.000 1.181 881 L HN 0.400 nan 8.230 nan 0.000 0.460 882 G N -0.247 108.579 108.800 0.044 0.000 2.198 882 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.257 882 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.257 882 G C 0.592 175.514 174.900 0.038 0.000 1.042 882 G CA 0.398 45.518 45.100 0.034 0.000 0.791 882 G HN 0.355 nan 8.290 nan 0.000 0.502 883 L N 0.247 121.502 121.223 0.053 0.000 3.122 883 L HA 0.356 4.694 4.340 -0.002 0.000 0.274 883 L C 1.605 178.528 176.870 0.088 0.000 1.222 883 L CA -0.042 54.841 54.840 0.071 0.000 1.028 883 L CB 0.484 42.598 42.059 0.092 0.000 1.386 883 L HN 0.335 nan 8.230 nan 0.000 0.578 884 G N -0.023 108.807 108.800 0.050 0.000 2.398 884 G HA2 0.216 4.175 3.960 -0.002 0.000 0.246 884 G HA3 0.216 4.175 3.960 -0.002 0.000 0.246 884 G C 0.639 175.564 174.900 0.041 0.000 1.289 884 G CA 0.539 45.655 45.100 0.028 0.000 0.869 884 G HN 0.473 nan 8.290 nan 0.000 0.543 885 E N 0.806 121.036 120.200 0.050 0.000 4.524 885 E HA -0.236 4.113 4.350 -0.002 0.000 0.156 885 E C 1.208 177.857 176.600 0.081 0.000 1.022 885 E CA 1.083 57.516 56.400 0.056 0.000 2.575 885 E CB -1.031 28.690 29.700 0.035 0.000 1.632 885 E HN 0.578 nan 8.360 nan 0.000 0.569 886 R N 0.178 120.729 120.500 0.084 0.000 3.732 886 R HA 0.159 4.498 4.340 -0.002 0.000 0.258 886 R C 0.975 177.339 176.300 0.107 0.000 1.661 886 R CA 0.186 56.330 56.100 0.073 0.000 1.424 886 R CB -0.285 30.041 30.300 0.044 0.000 1.308 886 R HN 0.164 nan 8.270 nan 0.000 0.634 887 F N -0.070 119.862 119.950 -0.030 0.000 2.698 887 F HA 0.085 4.611 4.527 -0.002 0.000 0.295 887 F C 1.214 176.978 175.800 -0.059 0.000 1.124 887 F CA 0.577 58.542 58.000 -0.057 0.000 1.426 887 F CB 0.485 39.436 39.000 -0.081 0.000 1.120 887 F HN 0.029 nan 8.300 nan 0.000 0.583 888 D N 0.356 120.752 120.400 -0.007 0.000 2.183 888 D HA -0.132 4.507 4.640 -0.002 0.000 0.203 888 D C 1.929 178.150 176.300 -0.131 0.000 0.969 888 D CA 1.240 55.198 54.000 -0.070 0.000 0.842 888 D CB 0.029 40.836 40.800 0.013 0.000 0.957 888 D HN 0.391 nan 8.370 nan 0.000 0.484 889 E N -0.423 119.718 120.200 -0.098 0.000 2.208 889 E HA -0.070 4.279 4.350 -0.002 0.000 0.193 889 E C 2.000 178.517 176.600 -0.139 0.000 0.988 889 E CA 0.300 56.647 56.400 -0.088 0.000 0.828 889 E CB 0.343 30.016 29.700 -0.045 0.000 0.763 889 E HN 0.141 nan 8.360 nan 0.000 0.478 890 V N 1.477 121.244 119.914 -0.246 0.000 2.453 890 V HA -0.211 3.908 4.120 -0.002 0.000 0.247 890 V C 2.097 177.971 176.094 -0.365 0.000 1.048 890 V CA 1.507 63.620 62.300 -0.311 0.000 1.049 890 V CB -0.296 31.254 31.823 -0.455 0.000 0.672 890 V HN 0.155 nan 8.190 nan 0.000 0.457 891 K N -0.094 119.977 120.400 -0.548 0.000 2.057 891 K HA -0.197 4.122 4.320 -0.002 0.000 0.207 891 K C 1.903 178.344 176.600 -0.265 0.000 1.049 891 K CA 1.829 57.783 56.287 -0.554 0.000 0.931 891 K CB -0.256 31.786 32.500 -0.763 0.000 0.714 891 K HN 0.426 nan 8.250 nan 0.000 0.440 892 D N 0.333 120.643 120.400 -0.150 0.000 2.097 892 D HA -0.126 4.512 4.640 -0.002 0.000 0.195 892 D C 1.872 178.182 176.300 0.018 0.000 0.989 892 D CA 1.069 55.058 54.000 -0.019 0.000 0.827 892 D CB 0.068 40.857 40.800 -0.019 0.000 0.966 892 D HN 0.010 nan 8.370 nan 0.000 0.456 893 M N -0.651 118.942 119.600 -0.011 0.000 2.159 893 M HA -0.160 4.319 4.480 -0.002 0.000 0.263 893 M C 1.975 178.288 176.300 0.021 0.000 1.063 893 M CA 1.079 56.380 55.300 0.001 0.000 1.110 893 M CB -0.950 31.641 32.600 -0.015 0.000 1.374 893 M HN 0.200 nan 8.290 nan 0.000 0.411 894 Y N 0.853 121.097 120.300 -0.094 0.000 2.139 894 Y HA -0.340 4.209 4.550 -0.002 0.000 0.282 894 Y C 2.743 178.630 175.900 -0.022 0.000 1.179 894 Y CA 2.351 60.403 58.100 -0.079 0.000 1.161 894 Y CB -0.238 38.158 38.460 -0.107 0.000 0.970 894 Y HN 0.208 nan 8.280 nan 0.000 0.511 895 R N 0.154 120.813 120.500 0.263 0.000 2.081 895 R HA -0.166 4.173 4.340 -0.002 0.000 0.235 895 R C 2.310 178.737 176.300 0.212 0.000 1.131 895 R CA 1.711 57.972 56.100 0.268 0.000 0.960 895 R CB -0.164 30.290 30.300 0.255 0.000 0.856 895 R HN 0.322 nan 8.270 nan 0.000 0.436 896 R N -0.252 120.310 120.500 0.103 0.000 2.066 896 R HA -0.042 4.297 4.340 -0.002 0.000 0.232 896 R C 2.293 178.580 176.300 -0.022 0.000 1.131 896 R CA 1.412 57.552 56.100 0.066 0.000 0.955 896 R CB -0.349 29.966 30.300 0.024 0.000 0.851 896 R HN 0.072 nan 8.270 nan 0.000 0.432 897 V N 2.340 122.154 119.914 -0.167 0.000 2.453 897 V HA -0.304 3.815 4.120 -0.002 0.000 0.252 897 V C 2.215 177.913 176.094 -0.661 0.000 1.068 897 V CA 1.862 63.874 62.300 -0.480 0.000 1.070 897 V CB -0.795 30.715 31.823 -0.521 0.000 0.664 897 V HN 0.488 nan 8.190 nan 0.000 0.461 898 N N 0.099 118.602 118.700 -0.328 0.000 2.080 898 N HA -0.156 4.583 4.740 -0.002 0.000 0.189 898 N C 1.822 177.230 175.510 -0.169 0.000 1.036 898 N CA 1.565 54.460 53.050 -0.258 0.000 0.846 898 N CB -0.162 38.219 38.487 -0.178 0.000 1.015 898 N HN 0.444 nan 8.380 nan 0.000 0.423 899 F N 0.912 120.833 119.950 -0.047 0.000 2.502 899 F HA 0.010 4.535 4.527 -0.002 0.000 0.298 899 F C 2.058 177.893 175.800 0.059 0.000 1.111 899 F CA 0.131 58.143 58.000 0.020 0.000 1.445 899 F CB -0.070 38.941 39.000 0.019 0.000 1.081 899 F HN 0.096 nan 8.300 nan 0.000 0.558 900 L N -1.325 119.993 121.223 0.158 0.000 2.217 900 L HA -0.051 4.288 4.340 -0.002 0.000 0.211 900 L C 1.236 178.417 176.870 0.518 0.000 1.107 900 L CA 1.496 56.473 54.840 0.229 0.000 0.783 900 L CB -0.448 41.667 42.059 0.094 0.000 0.919 900 L HN -0.048 nan 8.230 nan 0.000 0.442 901 F N 0.035 120.074 119.950 0.149 0.000 2.641 901 F HA 0.462 4.988 4.527 -0.002 0.000 0.302 901 F C 1.721 177.567 175.800 0.076 0.000 1.098 901 F CA -0.341 57.766 58.000 0.178 0.000 1.318 901 F CB -0.793 38.316 39.000 0.181 0.000 1.035 901 F HN 0.123 nan 8.300 nan 0.000 0.551 902 G N 1.166 110.093 108.800 0.211 0.000 2.171 902 G HA2 -0.272 3.687 3.960 -0.002 0.000 0.238 902 G HA3 -0.272 3.687 3.960 -0.002 0.000 0.238 902 G C -0.055 174.837 174.900 -0.012 0.000 1.039 902 G CA 0.051 45.198 45.100 0.079 0.000 0.759 902 G HN 0.376 nan 8.290 nan 0.000 0.501 903 D N -1.059 119.276 120.400 -0.109 0.000 3.437 903 D HA -0.166 4.473 4.640 -0.002 0.000 0.243 903 D C 0.631 176.924 176.300 -0.012 0.000 1.104 903 D CA 1.563 55.421 54.000 -0.236 0.000 1.009 903 D CB -1.305 39.351 40.800 -0.240 0.000 0.937 903 D HN 1.687 nan 8.370 nan 0.000 0.417 904 I N -2.522 118.025 120.570 -0.038 0.000 3.062 904 I HA 0.681 4.850 4.170 -0.002 0.000 0.316 904 I C 0.326 176.391 176.117 -0.087 0.000 1.041 904 I CA -1.139 60.179 61.300 0.030 0.000 1.069 904 I CB 1.373 39.420 38.000 0.078 0.000 1.300 904 I HN -0.089 nan 8.210 nan 0.000 0.518 905 V N 2.502 122.391 119.914 -0.041 0.000 2.455 905 V HA 0.204 4.322 4.120 -0.002 0.000 0.273 905 V C 0.026 176.110 176.094 -0.017 0.000 1.045 905 V CA -0.371 61.880 62.300 -0.082 0.000 0.976 905 V CB 0.287 32.125 31.823 0.025 0.000 0.993 905 V HN 0.613 nan 8.190 nan 0.000 0.475 906 K N 4.688 125.081 120.400 -0.013 0.000 2.296 906 K HA 0.613 4.932 4.320 -0.002 0.000 0.257 906 K C -0.773 175.887 176.600 0.100 0.000 1.088 906 K CA -0.184 56.133 56.287 0.050 0.000 0.980 906 K CB 1.057 33.630 32.500 0.121 0.000 1.430 906 K HN 0.575 nan 8.250 nan 0.000 0.441 907 V N -0.480 119.512 119.914 0.129 0.000 3.167 907 V HA 0.646 4.765 4.120 -0.002 0.000 0.310 907 V C -0.307 175.931 176.094 0.240 0.000 1.207 907 V CA -1.781 60.630 62.300 0.185 0.000 1.059 907 V CB 1.676 33.641 31.823 0.237 0.000 1.079 907 V HN 0.558 nan 8.190 nan 0.000 0.446 908 A N 1.609 124.617 122.820 0.314 0.000 2.492 908 A HA 0.577 4.896 4.320 -0.002 0.000 0.254 908 A C -1.648 176.088 177.584 0.253 0.000 1.091 908 A CA -0.798 51.418 52.037 0.299 0.000 0.768 908 A CB -0.109 19.089 19.000 0.331 0.000 1.028 908 A HN 0.746 nan 8.150 nan 0.000 0.498 909 P HA 0.019 nan 4.420 nan 0.000 0.261 909 P C 1.185 178.533 177.300 0.080 0.000 1.268 909 P CA 0.695 63.899 63.100 0.173 0.000 0.833 909 P CB 0.202 32.016 31.700 0.191 0.000 1.231 910 S N 0.230 115.957 115.700 0.046 0.000 2.419 910 S HA -0.156 4.313 4.470 -0.002 0.000 0.233 910 S C 1.985 176.533 174.600 -0.087 0.000 1.016 910 S CA 1.635 59.777 58.200 -0.097 0.000 0.974 910 S CB -1.514 61.635 63.200 -0.084 0.000 0.786 910 S HN 0.292 nan 8.310 nan 0.000 0.492 911 S N 1.918 117.643 115.700 0.041 0.000 2.383 911 S HA -0.005 4.464 4.470 -0.002 0.000 0.227 911 S C 1.860 176.515 174.600 0.091 0.000 1.026 911 S CA 0.935 59.200 58.200 0.109 0.000 0.981 911 S CB -0.590 62.732 63.200 0.203 0.000 0.818 911 S HN 0.564 nan 8.310 nan 0.000 0.472 912 K N 0.781 121.231 120.400 0.082 0.000 2.211 912 K HA 0.007 4.326 4.320 -0.002 0.000 0.203 912 K C 1.850 178.455 176.600 0.009 0.000 1.050 912 K CA 1.031 57.352 56.287 0.057 0.000 0.945 912 K CB -0.247 32.278 32.500 0.042 0.000 0.732 912 K HN 0.347 nan 8.250 nan 0.000 0.451 913 V N 0.284 120.176 119.914 -0.038 0.000 2.255 913 V HA -0.203 3.916 4.120 -0.002 0.000 0.243 913 V C 2.269 178.345 176.094 -0.031 0.000 1.038 913 V CA 1.295 63.567 62.300 -0.046 0.000 1.008 913 V CB -0.215 31.499 31.823 -0.182 0.000 0.645 913 V HN 0.066 nan 8.190 nan 0.000 0.449 914 V N 1.174 120.997 119.914 -0.152 0.000 2.287 914 V HA -0.246 3.873 4.120 -0.002 0.000 0.248 914 V C 2.688 178.595 176.094 -0.312 0.000 1.053 914 V CA 2.334 64.425 62.300 -0.349 0.000 1.027 914 V CB -1.562 29.845 31.823 -0.692 0.000 0.646 914 V HN 0.633 nan 8.190 nan 0.000 0.447 915 G N -0.375 108.345 108.800 -0.133 0.000 2.476 915 G HA2 -0.310 3.649 3.960 -0.002 0.000 0.218 915 G HA3 -0.310 3.649 3.960 -0.002 0.000 0.218 915 G C 1.238 176.184 174.900 0.078 0.000 1.164 915 G CA 1.343 46.504 45.100 0.102 0.000 0.768 915 G HN 0.526 nan 8.290 nan 0.000 0.560 916 D N -0.426 120.009 120.400 0.057 0.000 2.162 916 D HA -0.000 4.639 4.640 -0.002 0.000 0.203 916 D C 2.298 178.678 176.300 0.132 0.000 0.967 916 D CA 0.615 54.668 54.000 0.088 0.000 0.840 916 D CB -0.274 40.564 40.800 0.063 0.000 0.972 916 D HN 0.254 nan 8.370 nan 0.000 0.482 917 M N 0.793 120.463 119.600 0.117 0.000 2.213 917 M HA -0.025 4.454 4.480 -0.002 0.000 0.263 917 M C 1.765 178.158 176.300 0.156 0.000 1.062 917 M CA 1.082 56.492 55.300 0.184 0.000 1.105 917 M CB -0.192 32.522 32.600 0.190 0.000 1.385 917 M HN -0.018 nan 8.290 nan 0.000 0.417 918 A N -0.101 122.749 122.820 0.050 0.000 1.855 918 A HA -0.077 4.242 4.320 -0.002 0.000 0.215 918 A C 2.139 179.768 177.584 0.075 0.000 1.191 918 A CA 1.630 53.688 52.037 0.035 0.000 0.613 918 A CB -1.066 17.943 19.000 0.015 0.000 0.829 918 A HN 0.539 nan 8.150 nan 0.000 0.442 919 L N -2.005 119.280 121.223 0.103 0.000 2.083 919 L HA -0.208 4.130 4.340 -0.002 0.000 0.209 919 L C 2.577 179.527 176.870 0.132 0.000 1.083 919 L CA 1.832 56.736 54.840 0.107 0.000 0.752 919 L CB -0.538 41.595 42.059 0.124 0.000 0.899 919 L HN 0.647 nan 8.230 nan 0.000 0.433 920 Y N 0.075 120.406 120.300 0.052 0.000 2.184 920 Y HA -0.229 4.320 4.550 -0.002 0.000 0.290 920 Y C 2.549 178.473 175.900 0.041 0.000 1.129 920 Y CA 1.588 59.720 58.100 0.054 0.000 1.144 920 Y CB -0.028 38.486 38.460 0.091 0.000 0.995 920 Y HN 0.019 nan 8.280 nan 0.000 0.513 921 M N -1.077 118.567 119.600 0.073 0.000 2.319 921 M HA -0.160 4.319 4.480 -0.002 0.000 0.265 921 M C 1.851 178.106 176.300 -0.074 0.000 1.068 921 M CA 0.987 56.270 55.300 -0.028 0.000 1.118 921 M CB -0.147 32.511 32.600 0.097 0.000 1.395 921 M HN 0.167 nan 8.290 nan 0.000 0.435 922 V N -0.170 119.720 119.914 -0.040 0.000 2.307 922 V HA -0.227 3.892 4.120 -0.002 0.000 0.245 922 V C 2.427 178.479 176.094 -0.069 0.000 1.045 922 V CA 1.457 63.731 62.300 -0.044 0.000 1.024 922 V CB -0.773 31.036 31.823 -0.024 0.000 0.651 922 V HN 0.440 nan 8.190 nan 0.000 0.449 923 Q N 0.659 120.409 119.800 -0.082 0.000 2.152 923 Q HA -0.223 4.116 4.340 -0.002 0.000 0.206 923 Q C 1.495 177.409 176.000 -0.144 0.000 0.985 923 Q CA 1.940 57.684 55.803 -0.098 0.000 0.863 923 Q CB -0.399 28.280 28.738 -0.097 0.000 0.904 923 Q HN 0.746 nan 8.270 nan 0.000 0.422 924 N N 0.175 118.741 118.700 -0.223 0.000 2.204 924 N HA 0.013 4.752 4.740 -0.002 0.000 0.219 924 N C -0.790 174.626 175.510 -0.156 0.000 1.151 924 N CA 0.062 52.978 53.050 -0.223 0.000 0.867 924 N CB 0.635 38.901 38.487 -0.368 0.000 1.043 924 N HN -0.012 nan 8.380 nan 0.000 0.516 925 D N 0.528 120.858 120.400 -0.117 0.000 2.751 925 D HA -0.178 4.461 4.640 -0.002 0.000 0.233 925 D C -0.800 175.452 176.300 -0.080 0.000 1.149 925 D CA 0.622 54.572 54.000 -0.082 0.000 0.682 925 D CB -0.996 39.763 40.800 -0.068 0.000 1.068 925 D HN 0.319 nan 8.370 nan 0.000 0.429 926 L N 0.168 121.341 121.223 -0.083 0.000 2.421 926 L HA 0.495 4.834 4.340 -0.002 0.000 0.263 926 L C 1.243 178.106 176.870 -0.013 0.000 1.122 926 L CA -0.348 54.462 54.840 -0.051 0.000 0.804 926 L CB 0.941 42.983 42.059 -0.028 0.000 1.150 926 L HN 0.155 nan 8.230 nan 0.000 0.457 927 D N -0.679 119.725 120.400 0.006 0.000 2.798 927 D HA 0.164 4.802 4.640 -0.002 0.000 0.308 927 D C 0.139 176.470 176.300 0.050 0.000 1.187 927 D CA -0.486 53.528 54.000 0.022 0.000 1.033 927 D CB 1.265 42.068 40.800 0.004 0.000 1.445 927 D HN 0.376 nan 8.370 nan 0.000 0.550 928 E N -0.081 120.149 120.200 0.050 0.000 2.051 928 E HA -0.136 4.213 4.350 -0.002 0.000 0.192 928 E C 1.801 178.442 176.600 0.069 0.000 0.991 928 E CA 1.576 58.018 56.400 0.070 0.000 0.799 928 E CB -0.122 29.615 29.700 0.062 0.000 0.748 928 E HN 0.383 nan 8.360 nan 0.000 0.449 929 Q N 0.100 119.926 119.800 0.045 0.000 2.482 929 Q HA 0.087 4.426 4.340 -0.002 0.000 0.209 929 Q C 1.354 177.374 176.000 0.033 0.000 0.961 929 Q CA 0.363 56.190 55.803 0.039 0.000 0.945 929 Q CB 0.221 28.973 28.738 0.024 0.000 1.012 929 Q HN 0.144 nan 8.270 nan 0.000 0.515 930 S N 0.420 116.137 115.700 0.028 0.000 2.547 930 S HA -0.049 4.420 4.470 -0.002 0.000 0.235 930 S C 1.422 176.064 174.600 0.070 0.000 0.980 930 S CA 0.890 59.092 58.200 0.003 0.000 0.941 930 S CB 0.147 63.341 63.200 -0.009 0.000 0.763 930 S HN 0.373 nan 8.310 nan 0.000 0.532 931 V N -2.944 117.036 119.914 0.110 0.000 3.486 931 V HA 0.419 4.538 4.120 -0.002 0.000 0.335 931 V C 0.745 176.904 176.094 0.108 0.000 1.506 931 V CA -0.299 62.092 62.300 0.150 0.000 1.206 931 V CB -0.937 31.000 31.823 0.188 0.000 1.049 931 V HN 0.267 nan 8.190 nan 0.000 0.502 932 I N 1.059 121.682 120.570 0.088 0.000 2.364 932 I HA -0.006 4.163 4.170 -0.002 0.000 0.241 932 I C 2.262 178.416 176.117 0.062 0.000 1.082 932 I CA 2.049 63.391 61.300 0.070 0.000 1.401 932 I CB 0.101 38.138 38.000 0.062 0.000 1.126 932 I HN 0.280 nan 8.210 nan 0.000 0.429 933 T N -1.003 113.590 114.554 0.065 0.000 3.037 933 T HA 0.051 4.399 4.350 -0.002 0.000 0.251 933 T C 1.006 175.759 174.700 0.089 0.000 1.079 933 T CA 0.400 62.537 62.100 0.062 0.000 1.067 933 T CB -0.018 68.881 68.868 0.050 0.000 0.948 933 T HN 0.163 nan 8.240 nan 0.000 0.496 934 D N 1.666 122.142 120.400 0.128 0.000 2.087 934 D HA 0.229 4.868 4.640 -0.002 0.000 0.201 934 D C 1.549 177.977 176.300 0.214 0.000 0.980 934 D CA 1.521 55.663 54.000 0.236 0.000 0.849 934 D CB -0.424 40.547 40.800 0.285 0.000 1.001 934 D HN 0.379 nan 8.370 nan 0.000 0.452 935 G N 0.134 109.050 108.800 0.194 0.000 2.333 935 G HA2 -0.313 3.646 3.960 -0.002 0.000 0.296 935 G HA3 -0.313 3.646 3.960 -0.002 0.000 0.296 935 G C -0.542 174.470 174.900 0.186 0.000 1.059 935 G CA -0.128 45.060 45.100 0.148 0.000 1.050 935 G HN 0.324 nan 8.290 nan 0.000 0.508 936 Y N 0.399 120.763 120.300 0.106 0.000 2.465 936 Y HA 0.312 4.861 4.550 -0.002 0.000 0.331 936 Y C 1.389 177.360 175.900 0.118 0.000 1.102 936 Y CA 0.017 58.169 58.100 0.087 0.000 1.358 936 Y CB 0.714 39.208 38.460 0.057 0.000 1.213 936 Y HN 0.428 nan 8.280 nan 0.000 0.525 937 K N 4.205 124.625 120.400 0.033 0.000 2.447 937 K HA 0.163 4.481 4.320 -0.002 0.000 0.281 937 K C -0.555 176.034 176.600 -0.018 0.000 1.031 937 K CA 0.440 56.747 56.287 0.033 0.000 1.019 937 K CB 0.354 32.830 32.500 -0.039 0.000 0.918 937 K HN 0.756 nan 8.250 nan 0.000 0.476 938 L N 0.787 121.884 121.223 -0.210 0.000 3.467 938 L HA 0.124 4.463 4.340 -0.002 0.000 0.315 938 L C -0.774 175.911 176.870 -0.309 0.000 1.184 938 L CA -0.301 54.346 54.840 -0.323 0.000 1.124 938 L CB 0.352 42.083 42.059 -0.547 0.000 1.585 938 L HN 0.719 nan 8.230 nan 0.000 0.617 939 D N 1.016 121.232 120.400 -0.306 0.000 2.872 939 D HA -0.155 4.484 4.640 -0.002 0.000 0.248 939 D C -0.338 175.802 176.300 -0.266 0.000 1.104 939 D CA 0.748 54.654 54.000 -0.156 0.000 0.784 939 D CB -1.169 39.603 40.800 -0.047 0.000 1.036 939 D HN 0.015 nan 8.370 nan 0.000 0.426 940 F N 0.689 120.527 119.950 -0.187 0.000 2.553 940 F HA 0.202 4.728 4.527 -0.002 0.000 0.356 940 F C -0.713 174.898 175.800 -0.315 0.000 1.142 940 F CA -1.017 56.724 58.000 -0.433 0.000 1.322 940 F CB -0.163 38.679 39.000 -0.262 0.000 1.126 940 F HN -0.030 nan 8.300 nan 0.000 0.599 941 P HA -0.069 nan 4.420 nan 0.000 0.270 941 P C 0.658 177.963 177.300 0.008 0.000 1.227 941 P CA -0.108 62.951 63.100 -0.069 0.000 0.788 941 P CB 0.721 32.388 31.700 -0.055 0.000 0.926 942 E N 1.219 121.428 120.200 0.015 0.000 2.048 942 E HA -0.218 4.131 4.350 -0.002 0.000 0.202 942 E C 1.903 178.526 176.600 0.039 0.000 1.021 942 E CA 2.520 58.934 56.400 0.024 0.000 0.825 942 E CB -0.709 29.001 29.700 0.016 0.000 0.756 942 E HN 0.572 nan 8.360 nan 0.000 0.454 943 S N -0.178 115.545 115.700 0.039 0.000 2.382 943 S HA -0.102 4.367 4.470 -0.002 0.000 0.228 943 S C 2.246 176.913 174.600 0.111 0.000 1.027 943 S CA 1.394 59.629 58.200 0.059 0.000 0.991 943 S CB -0.431 62.787 63.200 0.031 0.000 0.823 943 S HN 0.142 nan 8.310 nan 0.000 0.469 944 V N 2.156 122.141 119.914 0.118 0.000 2.488 944 V HA -0.064 4.055 4.120 -0.002 0.000 0.246 944 V C 2.546 178.771 176.094 0.218 0.000 1.046 944 V CA 1.511 63.929 62.300 0.197 0.000 1.053 944 V CB -0.084 31.851 31.823 0.187 0.000 0.679 944 V HN 0.619 nan 8.190 nan 0.000 0.458 945 V N -2.478 117.496 119.914 0.101 0.000 2.488 945 V HA -0.105 4.014 4.120 -0.002 0.000 0.246 945 V C 2.496 178.626 176.094 0.060 0.000 1.046 945 V CA 2.084 64.411 62.300 0.044 0.000 1.053 945 V CB -1.150 30.678 31.823 0.008 0.000 0.679 945 V HN 0.469 nan 8.190 nan 0.000 0.458 946 S N 0.322 116.066 115.700 0.073 0.000 2.374 946 S HA -0.263 4.205 4.470 -0.002 0.000 0.227 946 S C 1.821 176.468 174.600 0.077 0.000 1.037 946 S CA 2.223 60.460 58.200 0.062 0.000 1.024 946 S CB -0.717 62.523 63.200 0.067 0.000 0.861 946 S HN 0.747 nan 8.310 nan 0.000 0.456 947 F N 0.336 120.246 119.950 -0.066 0.000 2.171 947 F HA -0.017 4.509 4.527 -0.002 0.000 0.300 947 F C 1.460 177.029 175.800 -0.386 0.000 1.090 947 F CA 1.408 59.310 58.000 -0.162 0.000 1.293 947 F CB -0.184 38.697 39.000 -0.199 0.000 1.013 947 F HN 0.254 nan 8.300 nan 0.000 0.486 948 F N 0.538 120.138 119.950 -0.583 0.000 2.661 948 F HA 0.045 4.571 4.527 -0.002 0.000 0.298 948 F C 2.148 177.532 175.800 -0.693 0.000 1.137 948 F CA 0.684 58.066 58.000 -1.030 0.000 1.454 948 F CB -0.353 38.161 39.000 -0.810 0.000 1.103 948 F HN -0.115 nan 8.300 nan 0.000 0.577 949 K N 0.055 120.312 120.400 -0.239 0.000 2.305 949 K HA 0.144 4.463 4.320 -0.002 0.000 0.199 949 K C 1.416 177.948 176.600 -0.112 0.000 1.047 949 K CA 0.933 57.133 56.287 -0.146 0.000 0.976 949 K CB 0.022 32.484 32.500 -0.064 0.000 0.765 949 K HN 0.262 nan 8.250 nan 0.000 0.474 950 G N 1.235 109.953 108.800 -0.136 0.000 2.131 950 G HA2 -0.234 3.725 3.960 -0.002 0.000 0.223 950 G HA3 -0.234 3.725 3.960 -0.002 0.000 0.223 950 G C 0.245 175.192 174.900 0.079 0.000 0.990 950 G CA 0.391 45.483 45.100 -0.013 0.000 0.671 950 G HN 0.473 nan 8.290 nan 0.000 0.521 951 E N -0.933 119.306 120.200 0.064 0.000 2.401 951 E HA 0.056 4.405 4.350 -0.002 0.000 0.199 951 E C 1.915 178.566 176.600 0.086 0.000 1.023 951 E CA 0.811 57.255 56.400 0.073 0.000 0.859 951 E CB 0.015 29.739 29.700 0.041 0.000 0.780 951 E HN 0.574 nan 8.360 nan 0.000 0.523 952 I N -0.914 119.747 120.570 0.151 0.000 4.082 952 I HA 0.207 4.376 4.170 -0.002 0.000 0.337 952 I C 0.648 176.905 176.117 0.233 0.000 1.352 952 I CA 0.350 61.761 61.300 0.185 0.000 1.097 952 I CB 1.145 39.295 38.000 0.250 0.000 1.048 952 I HN 0.104 nan 8.210 nan 0.000 0.393 953 G N 0.348 109.292 108.800 0.241 0.000 2.483 953 G HA2 -0.064 3.894 3.960 -0.002 0.000 0.521 953 G HA3 -0.064 3.894 3.960 -0.002 0.000 0.521 953 G C -1.104 173.843 174.900 0.079 0.000 1.278 953 G CA -0.909 44.388 45.100 0.329 0.000 0.965 953 G HN -0.028 nan 8.290 nan 0.000 0.504 954 Q N 0.720 120.370 119.800 -0.251 0.000 2.316 954 Q HA 0.550 4.889 4.340 -0.002 0.000 0.264 954 Q C -2.231 173.462 176.000 -0.512 0.000 0.987 954 Q CA -1.667 53.807 55.803 -0.547 0.000 0.852 954 Q CB 2.134 30.343 28.738 -0.880 0.000 1.287 954 Q HN 0.563 nan 8.270 nan 0.000 0.448 955 P HA 0.105 nan 4.420 nan 0.000 0.276 955 P C 0.786 177.857 177.300 -0.381 0.000 1.244 955 P CA -0.354 62.543 63.100 -0.337 0.000 0.801 955 P CB 1.077 32.581 31.700 -0.328 0.000 1.006 956 V N 2.449 122.234 119.914 -0.215 0.000 2.252 956 V HA -0.292 3.827 4.120 -0.002 0.000 0.249 956 V C 1.746 177.697 176.094 -0.238 0.000 1.056 956 V CA 2.523 64.703 62.300 -0.199 0.000 1.022 956 V CB -1.721 30.039 31.823 -0.106 0.000 0.641 956 V HN 0.561 nan 8.190 nan 0.000 0.445 957 N N -0.036 118.528 118.700 -0.227 0.000 2.521 957 N HA 0.326 5.065 4.740 -0.002 0.000 0.188 957 N C 0.946 176.302 175.510 -0.256 0.000 1.146 957 N CA 0.631 53.558 53.050 -0.205 0.000 0.893 957 N CB 0.245 38.640 38.487 -0.153 0.000 0.975 957 N HN 0.651 nan 8.380 nan 0.000 0.451 958 G N 0.430 108.977 108.800 -0.422 0.000 2.601 958 G HA2 -0.283 3.676 3.960 -0.002 0.000 0.252 958 G HA3 -0.283 3.676 3.960 -0.002 0.000 0.252 958 G C -0.643 173.797 174.900 -0.767 0.000 1.294 958 G CA -0.293 44.416 45.100 -0.653 0.000 0.912 958 G HN 0.187 nan 8.290 nan 0.000 0.574 959 F N -0.337 119.510 119.950 -0.171 0.000 2.561 959 F HA 0.625 5.151 4.527 -0.002 0.000 0.321 959 F C 0.323 176.114 175.800 -0.016 0.000 1.065 959 F CA -1.156 56.786 58.000 -0.097 0.000 0.934 959 F CB 1.436 40.360 39.000 -0.127 0.000 1.215 959 F HN 0.467 nan 8.300 nan 0.000 0.471 960 N N 1.702 120.541 118.700 0.233 0.000 2.447 960 N HA 0.022 4.761 4.740 -0.002 0.000 0.263 960 N C 1.079 176.660 175.510 0.117 0.000 1.226 960 N CA 0.163 53.297 53.050 0.140 0.000 0.906 960 N CB 0.816 39.377 38.487 0.123 0.000 1.060 960 N HN 0.662 nan 8.380 nan 0.000 0.468 961 K N 2.256 122.699 120.400 0.071 0.000 2.015 961 K HA -0.258 4.061 4.320 -0.002 0.000 0.216 961 K C 0.319 176.924 176.600 0.009 0.000 1.052 961 K CA 2.118 58.427 56.287 0.038 0.000 0.937 961 K CB 0.016 32.528 32.500 0.019 0.000 0.719 961 K HN 0.584 nan 8.250 nan 0.000 0.446 962 D N 0.395 120.800 120.400 0.009 0.000 2.178 962 D HA -0.138 4.501 4.640 -0.002 0.000 0.202 962 D C 1.689 177.973 176.300 -0.027 0.000 0.974 962 D CA 0.719 54.714 54.000 -0.008 0.000 0.841 962 D CB -0.029 40.774 40.800 0.004 0.000 0.953 962 D HN 0.160 nan 8.370 nan 0.000 0.478 963 L N 0.690 121.911 121.223 -0.003 0.000 1.976 963 L HA -0.200 4.138 4.340 -0.002 0.000 0.209 963 L C 2.117 178.871 176.870 -0.194 0.000 1.071 963 L CA 1.864 56.684 54.840 -0.034 0.000 0.746 963 L CB -0.885 41.218 42.059 0.075 0.000 0.890 963 L HN 0.009 nan 8.230 nan 0.000 0.432 964 Q N -0.515 119.194 119.800 -0.151 0.000 2.077 964 Q HA -0.284 4.055 4.340 -0.002 0.000 0.206 964 Q C 2.122 177.914 176.000 -0.347 0.000 0.989 964 Q CA 2.280 57.883 55.803 -0.332 0.000 0.853 964 Q CB -0.348 28.348 28.738 -0.071 0.000 0.907 964 Q HN 0.707 nan 8.270 nan 0.000 0.418 965 A N 0.511 123.218 122.820 -0.190 0.000 1.869 965 A HA -0.210 4.109 4.320 -0.002 0.000 0.218 965 A C 2.062 179.548 177.584 -0.164 0.000 1.203 965 A CA 2.277 54.224 52.037 -0.148 0.000 0.638 965 A CB -1.264 17.684 19.000 -0.088 0.000 0.831 965 A HN 0.523 nan 8.150 nan 0.000 0.450 966 V N -2.405 117.416 119.914 -0.154 0.000 3.590 966 V HA 0.125 4.244 4.120 -0.002 0.000 0.272 966 V C 1.363 177.372 176.094 -0.142 0.000 1.233 966 V CA 1.341 63.576 62.300 -0.109 0.000 1.182 966 V CB -1.065 30.727 31.823 -0.052 0.000 0.901 966 V HN 0.496 nan 8.190 nan 0.000 0.485 967 I N -0.212 120.171 120.570 -0.311 0.000 4.082 967 I HA 0.235 4.404 4.170 -0.002 0.000 0.337 967 I C 1.095 177.036 176.117 -0.294 0.000 1.352 967 I CA 0.329 61.340 61.300 -0.482 0.000 1.097 967 I CB 0.678 38.063 38.000 -1.025 0.000 1.048 967 I HN 0.452 nan 8.210 nan 0.000 0.393 968 L N -2.294 118.813 121.223 -0.194 0.000 3.664 968 L HA 0.422 4.761 4.340 -0.002 0.000 0.341 968 L C 0.360 177.182 176.870 -0.082 0.000 1.247 968 L CA -0.615 54.149 54.840 -0.127 0.000 1.133 968 L CB -0.726 41.237 42.059 -0.160 0.000 1.498 968 L HN -0.199 nan 8.230 nan 0.000 0.628 969 K N 2.108 122.465 120.400 -0.072 0.000 2.464 969 K HA 0.324 4.643 4.320 -0.002 0.000 0.265 969 K C 0.966 177.539 176.600 -0.045 0.000 1.055 969 K CA 1.870 58.123 56.287 -0.056 0.000 1.161 969 K CB -0.533 31.941 32.500 -0.043 0.000 0.804 969 K HN 0.732 nan 8.250 nan 0.000 0.486 970 G N 3.042 111.813 108.800 -0.047 0.000 2.390 970 G HA2 -0.206 3.753 3.960 -0.002 0.000 0.202 970 G HA3 -0.206 3.753 3.960 -0.002 0.000 0.202 970 G C -1.523 173.349 174.900 -0.047 0.000 1.210 970 G CA -0.244 44.831 45.100 -0.041 0.000 1.271 970 G HN 0.786 nan 8.290 nan 0.000 0.543 971 Q N 1.786 121.559 119.800 -0.044 0.000 2.257 971 Q HA 0.483 4.822 4.340 -0.002 0.000 0.273 971 Q C 0.378 176.342 176.000 -0.061 0.000 1.153 971 Q CA 1.027 56.800 55.803 -0.050 0.000 0.922 971 Q CB 0.502 29.213 28.738 -0.044 0.000 1.242 971 Q HN 0.814 nan 8.270 nan 0.000 0.409 972 E N 2.609 122.767 120.200 -0.069 0.000 3.769 972 E HA 0.680 5.029 4.350 -0.002 0.000 0.318 972 E C -0.489 176.058 176.600 -0.088 0.000 0.894 972 E CA -0.640 55.711 56.400 -0.082 0.000 1.973 972 E CB -0.200 29.452 29.700 -0.079 0.000 1.858 972 E HN 0.628 nan 8.360 nan 0.000 0.628 973 A N 0.062 122.825 122.820 -0.094 0.000 2.351 973 A HA 0.520 4.839 4.320 -0.002 0.000 0.257 973 A C -0.509 177.035 177.584 -0.067 0.000 1.087 973 A CA -0.469 51.511 52.037 -0.096 0.000 0.798 973 A CB -0.202 18.733 19.000 -0.109 0.000 1.033 973 A HN 0.413 nan 8.150 nan 0.000 0.488 974 L N 1.150 122.348 121.223 -0.041 0.000 2.346 974 L HA 0.415 4.754 4.340 -0.002 0.000 0.276 974 L C 1.258 178.165 176.870 0.062 0.000 1.006 974 L CA -0.454 54.376 54.840 -0.016 0.000 0.817 974 L CB 1.992 44.035 42.059 -0.026 0.000 1.272 974 L HN 0.916 nan 8.230 nan 0.000 0.421 975 T N 0.978 115.580 114.554 0.079 0.000 2.953 975 T HA 0.223 4.571 4.350 -0.002 0.000 0.247 975 T C 0.801 175.621 174.700 0.200 0.000 1.029 975 T CA 0.704 62.865 62.100 0.102 0.000 1.144 975 T CB 0.244 69.151 68.868 0.065 0.000 0.870 975 T HN 0.646 nan 8.240 nan 0.000 0.446 976 A N 1.737 124.717 122.820 0.266 0.000 2.313 976 A HA 0.574 4.893 4.320 -0.002 0.000 0.261 976 A C 0.115 177.896 177.584 0.328 0.000 1.090 976 A CA -0.710 51.513 52.037 0.308 0.000 0.807 976 A CB 0.091 19.249 19.000 0.262 0.000 1.055 976 A HN 0.730 nan 8.150 nan 0.000 0.492 977 R N 1.067 121.700 120.500 0.221 0.000 2.480 977 R HA 0.150 4.489 4.340 -0.002 0.000 0.303 977 R C -2.326 173.898 176.300 -0.127 0.000 0.985 977 R CA -0.545 55.575 56.100 0.035 0.000 1.051 977 R CB -0.467 29.678 30.300 -0.258 0.000 0.935 977 R HN 0.360 nan 8.270 nan 0.000 0.410 978 P HA -0.240 nan 4.420 nan 0.000 0.218 978 P C 1.386 178.223 177.300 -0.771 0.000 1.152 978 P CA 2.094 64.882 63.100 -0.521 0.000 0.857 978 P CB -0.042 31.541 31.700 -0.195 0.000 0.787 979 G N 0.861 109.430 108.800 -0.385 0.000 2.469 979 G HA2 -0.289 3.670 3.960 -0.002 0.000 0.219 979 G HA3 -0.289 3.670 3.960 -0.002 0.000 0.219 979 G C 1.147 175.884 174.900 -0.271 0.000 1.150 979 G CA 0.922 45.860 45.100 -0.269 0.000 0.763 979 G HN 0.477 nan 8.290 nan 0.000 0.561 980 E N -0.031 120.012 120.200 -0.262 0.000 2.438 980 E HA 0.091 4.440 4.350 -0.002 0.000 0.192 980 E C 1.201 177.789 176.600 -0.021 0.000 1.110 980 E CA 0.384 56.716 56.400 -0.113 0.000 0.893 980 E CB -0.244 29.430 29.700 -0.043 0.000 0.990 980 E HN 0.800 nan 8.360 nan 0.000 0.490 981 Y N -1.768 118.536 120.300 0.006 0.000 2.550 981 Y HA 0.351 4.900 4.550 -0.002 0.000 0.275 981 Y C 0.594 176.493 175.900 -0.001 0.000 1.148 981 Y CA -0.851 57.251 58.100 0.003 0.000 1.200 981 Y CB 0.088 38.551 38.460 0.004 0.000 1.299 981 Y HN -0.163 nan 8.280 nan 0.000 0.509 982 L N 5.154 126.306 121.223 -0.117 0.000 2.597 982 L HA 0.074 4.413 4.340 -0.002 0.000 0.271 982 L C 0.310 177.173 176.870 -0.010 0.000 1.157 982 L CA 0.245 55.075 54.840 -0.015 0.000 0.928 982 L CB 0.293 42.281 42.059 -0.119 0.000 1.216 982 L HN 0.361 nan 8.230 nan 0.000 0.481 983 E N 5.997 126.210 120.200 0.022 0.000 2.331 983 E HA 0.326 4.675 4.350 -0.002 0.000 0.272 983 E C -2.386 174.198 176.600 -0.027 0.000 1.036 983 E CA -2.186 54.215 56.400 0.002 0.000 0.864 983 E CB 0.152 29.858 29.700 0.009 0.000 1.035 983 E HN 0.297 nan 8.360 nan 0.000 0.408 984 P HA -0.078 nan 4.420 nan 0.000 0.265 984 P C -0.176 177.024 177.300 -0.166 0.000 1.187 984 P CA -0.095 62.955 63.100 -0.082 0.000 0.766 984 P CB 0.424 32.087 31.700 -0.061 0.000 0.820 985 V N 3.249 122.981 119.914 -0.303 0.000 2.555 985 V HA 0.016 4.134 4.120 -0.002 0.000 0.286 985 V C 1.090 176.798 176.094 -0.644 0.000 1.044 985 V CA 0.004 62.044 62.300 -0.434 0.000 1.026 985 V CB 0.466 31.995 31.823 -0.491 0.000 0.981 985 V HN 0.586 nan 8.190 nan 0.000 0.480 986 D N 3.845 124.033 120.400 -0.354 0.000 2.359 986 D HA 0.115 4.754 4.640 -0.002 0.000 0.250 986 D C 0.701 176.879 176.300 -0.203 0.000 1.264 986 D CA -0.019 53.835 54.000 -0.242 0.000 0.911 986 D CB 0.440 41.183 40.800 -0.095 0.000 1.056 986 D HN 0.490 nan 8.370 nan 0.000 0.499 987 F N 1.721 121.688 119.950 0.028 0.000 2.365 987 F HA -0.081 4.445 4.527 -0.002 0.000 0.300 987 F C 2.348 178.156 175.800 0.013 0.000 1.090 987 F CA 0.246 58.261 58.000 0.026 0.000 1.408 987 F CB 0.256 39.268 39.000 0.020 0.000 1.060 987 F HN 0.320 nan 8.300 nan 0.000 0.534 988 E N 0.852 121.146 120.200 0.157 0.000 2.106 988 E HA -0.152 4.197 4.350 -0.002 0.000 0.192 988 E C 1.890 178.523 176.600 0.055 0.000 0.984 988 E CA 0.960 57.415 56.400 0.091 0.000 0.806 988 E CB -0.316 29.422 29.700 0.063 0.000 0.750 988 E HN 0.460 nan 8.360 nan 0.000 0.458 989 K N 0.601 121.024 120.400 0.039 0.000 2.288 989 K HA -0.014 4.305 4.320 -0.002 0.000 0.201 989 K C 2.122 178.736 176.600 0.023 0.000 1.048 989 K CA 0.390 56.691 56.287 0.023 0.000 0.956 989 K CB 0.179 32.686 32.500 0.012 0.000 0.746 989 K HN -0.075 nan 8.250 nan 0.000 0.461 990 V N 0.917 120.859 119.914 0.046 0.000 2.453 990 V HA -0.180 3.939 4.120 -0.002 0.000 0.247 990 V C 2.282 178.368 176.094 -0.012 0.000 1.048 990 V CA 1.488 63.805 62.300 0.029 0.000 1.049 990 V CB -0.352 31.548 31.823 0.129 0.000 0.672 990 V HN 0.217 nan 8.190 nan 0.000 0.457 991 R N 0.931 121.448 120.500 0.028 0.000 2.073 991 R HA -0.182 4.157 4.340 -0.002 0.000 0.234 991 R C 2.159 178.456 176.300 -0.005 0.000 1.134 991 R CA 1.998 58.105 56.100 0.012 0.000 0.952 991 R CB -0.436 29.881 30.300 0.028 0.000 0.850 991 R HN 0.626 nan 8.270 nan 0.000 0.433 992 E N -0.090 120.110 120.200 -0.000 0.000 2.077 992 E HA -0.214 4.134 4.350 -0.002 0.000 0.193 992 E C 1.924 178.513 176.600 -0.018 0.000 0.989 992 E CA 1.297 57.694 56.400 -0.005 0.000 0.800 992 E CB -0.247 29.454 29.700 0.001 0.000 0.746 992 E HN 0.188 nan 8.360 nan 0.000 0.452 993 L N 0.968 122.170 121.223 -0.034 0.000 1.989 993 L HA -0.205 4.134 4.340 -0.002 0.000 0.211 993 L C 2.143 178.968 176.870 -0.075 0.000 1.071 993 L CA 1.665 56.470 54.840 -0.059 0.000 0.749 993 L CB -0.346 41.657 42.059 -0.093 0.000 0.890 993 L HN 0.124 nan 8.230 nan 0.000 0.431 994 L N -1.188 119.975 121.223 -0.100 0.000 2.027 994 L HA -0.188 4.151 4.340 -0.002 0.000 0.206 994 L C 2.446 179.308 176.870 -0.013 0.000 1.074 994 L CA 1.349 56.152 54.840 -0.062 0.000 0.745 994 L CB -0.666 41.359 42.059 -0.057 0.000 0.898 994 L HN 0.314 nan 8.230 nan 0.000 0.433 995 E N -0.272 119.921 120.200 -0.010 0.000 2.204 995 E HA -0.208 4.141 4.350 -0.002 0.000 0.195 995 E C 2.095 178.694 176.600 -0.002 0.000 0.990 995 E CA 0.686 57.087 56.400 0.001 0.000 0.821 995 E CB 0.105 29.806 29.700 0.001 0.000 0.750 995 E HN 0.349 nan 8.360 nan 0.000 0.477 996 E N 0.548 120.744 120.200 -0.008 0.000 2.158 996 E HA -0.121 4.227 4.350 -0.002 0.000 0.191 996 E C 1.699 178.295 176.600 -0.006 0.000 0.982 996 E CA 0.742 57.139 56.400 -0.007 0.000 0.823 996 E CB 0.199 29.895 29.700 -0.007 0.000 0.766 996 E HN 0.354 nan 8.360 nan 0.000 0.468 997 E N 0.412 120.608 120.200 -0.007 0.000 2.033 997 E HA -0.072 4.277 4.350 -0.002 0.000 0.189 997 E C 1.109 177.707 176.600 -0.002 0.000 0.979 997 E CA 0.500 56.898 56.400 -0.003 0.000 0.802 997 E CB 0.143 29.843 29.700 -0.001 0.000 0.763 997 E HN 0.241 nan 8.360 nan 0.000 0.449 998 Q N 0.367 120.170 119.800 0.005 0.000 2.335 998 Q HA 0.135 4.474 4.340 -0.002 0.000 0.180 998 Q C 0.172 176.174 176.000 0.004 0.000 1.101 998 Q CA 0.087 55.894 55.803 0.007 0.000 1.165 998 Q CB 0.282 29.034 28.738 0.024 0.000 1.220 998 Q HN -0.063 nan 8.270 nan 0.000 0.626 999 Q N -1.339 118.464 119.800 0.005 0.000 2.215 999 Q HA 0.303 4.642 4.340 -0.002 0.000 0.337 999 Q C -0.361 175.643 176.000 0.007 0.000 0.887 999 Q CA 0.533 56.338 55.803 0.003 0.000 1.134 999 Q CB 0.951 29.688 28.738 -0.001 0.000 1.303 999 Q HN 0.846 nan 8.270 nan 0.000 0.421 1000 G N 0.274 109.080 108.800 0.011 0.000 2.893 1000 G HA2 -0.115 3.844 3.960 -0.002 0.000 0.160 1000 G HA3 -0.115 3.844 3.960 -0.002 0.000 0.160 1000 G C -2.081 172.828 174.900 0.016 0.000 2.432 1000 G CA -0.321 44.785 45.100 0.011 0.000 1.388 1000 G HN 0.229 nan 8.290 nan 0.000 0.415 1001 P HA 0.457 nan 4.420 nan 0.000 0.258 1001 P C -0.643 176.679 177.300 0.037 0.000 1.563 1001 P CA 0.500 63.614 63.100 0.024 0.000 1.241 1001 P CB 0.509 32.224 31.700 0.026 0.000 1.811 1002 V N 3.599 123.530 119.914 0.028 0.000 2.378 1002 V HA 0.266 4.385 4.120 -0.002 0.000 0.288 1002 V C 1.053 177.152 176.094 0.008 0.000 1.016 1002 V CA -0.369 61.952 62.300 0.035 0.000 0.840 1002 V CB 1.613 33.455 31.823 0.031 0.000 0.994 1002 V HN 0.466 nan 8.190 nan 0.000 0.431 1003 T N 0.926 115.481 114.554 0.002 0.000 2.897 1003 T HA 0.360 4.709 4.350 -0.002 0.000 0.278 1003 T C 0.883 175.533 174.700 -0.083 0.000 0.981 1003 T CA -0.555 61.518 62.100 -0.045 0.000 0.973 1003 T CB 1.465 70.296 68.868 -0.061 0.000 1.092 1003 T HN 0.520 nan 8.240 nan 0.000 0.543 1004 E N 0.229 120.350 120.200 -0.132 0.000 2.204 1004 E HA -0.125 4.224 4.350 -0.002 0.000 0.194 1004 E C 2.159 178.622 176.600 -0.228 0.000 0.989 1004 E CA 1.049 57.348 56.400 -0.168 0.000 0.824 1004 E CB -0.053 29.539 29.700 -0.181 0.000 0.756 1004 E HN 0.713 nan 8.360 nan 0.000 0.477 1005 Q N 0.575 120.165 119.800 -0.350 0.000 2.079 1005 Q HA -0.145 4.194 4.340 -0.002 0.000 0.200 1005 Q C 1.597 177.484 176.000 -0.187 0.000 0.974 1005 Q CA 1.368 56.794 55.803 -0.628 0.000 0.840 1005 Q CB -0.187 27.858 28.738 -1.155 0.000 0.898 1005 Q HN 0.249 nan 8.270 nan 0.000 0.430 1006 D N 1.199 121.557 120.400 -0.071 0.000 2.116 1006 D HA -0.181 4.457 4.640 -0.002 0.000 0.193 1006 D C 1.772 177.987 176.300 -0.142 0.000 0.998 1006 D CA 1.244 55.233 54.000 -0.019 0.000 0.836 1006 D CB -0.183 40.658 40.800 0.069 0.000 0.951 1006 D HN 0.186 nan 8.370 nan 0.000 0.449 1007 I N 0.298 120.838 120.570 -0.051 0.000 2.142 1007 I HA -0.242 3.927 4.170 -0.002 0.000 0.240 1007 I C 2.057 178.249 176.117 0.125 0.000 1.078 1007 I CA 0.991 62.308 61.300 0.028 0.000 1.343 1007 I CB -0.369 37.648 38.000 0.029 0.000 1.046 1007 I HN 0.061 nan 8.210 nan 0.000 0.405 1008 I N -1.318 119.324 120.570 0.121 0.000 2.439 1008 I HA -0.109 4.060 4.170 -0.002 0.000 0.251 1008 I C 2.438 178.692 176.117 0.228 0.000 1.139 1008 I CA 1.073 62.485 61.300 0.188 0.000 1.438 1008 I CB -1.096 37.040 38.000 0.227 0.000 1.085 1008 I HN -0.040 nan 8.210 nan 0.000 0.427 1009 S N 0.521 116.454 115.700 0.389 0.000 2.359 1009 S HA -0.261 4.208 4.470 -0.002 0.000 0.223 1009 S C 2.025 176.712 174.600 0.145 0.000 1.039 1009 S CA 2.043 60.552 58.200 0.515 0.000 1.042 1009 S CB -0.755 62.825 63.200 0.633 0.000 0.915 1009 S HN 0.663 nan 8.310 nan 0.000 0.439 1010 Y N 2.311 122.421 120.300 -0.318 0.000 2.128 1010 Y HA -0.188 4.361 4.550 -0.002 0.000 0.284 1010 Y C 2.245 178.141 175.900 -0.006 0.000 1.154 1010 Y CA 1.376 59.316 58.100 -0.268 0.000 1.149 1010 Y CB -0.703 37.523 38.460 -0.390 0.000 0.976 1010 Y HN 0.025 nan 8.280 nan 0.000 0.505 1011 V N 0.659 120.563 119.914 -0.016 0.000 2.332 1011 V HA -0.337 3.782 4.120 -0.002 0.000 0.248 1011 V C 2.475 178.467 176.094 -0.170 0.000 1.055 1011 V CA 2.150 64.402 62.300 -0.080 0.000 1.038 1011 V CB -0.757 31.130 31.823 0.106 0.000 0.651 1011 V HN 0.477 nan 8.190 nan 0.000 0.450 1012 L N -1.994 119.109 121.223 -0.199 0.000 2.141 1012 L HA -0.083 4.256 4.340 -0.002 0.000 0.209 1012 L C 0.471 177.161 176.870 -0.301 0.000 1.094 1012 L CA 1.381 56.005 54.840 -0.362 0.000 0.763 1012 L CB -0.066 41.770 42.059 -0.373 0.000 0.908 1012 L HN 0.356 nan 8.230 nan 0.000 0.437 1013 Y N -2.036 118.237 120.300 -0.045 0.000 2.544 1013 Y HA 0.224 4.773 4.550 -0.002 0.000 0.347 1013 Y C -1.835 174.018 175.900 -0.079 0.000 1.089 1013 Y CA -1.802 56.306 58.100 0.014 0.000 1.230 1013 Y CB 0.677 39.211 38.460 0.123 0.000 1.101 1013 Y HN -0.127 nan 8.280 nan 0.000 0.641 1014 P HA -0.248 nan 4.420 nan 0.000 0.212 1014 P C 1.219 178.549 177.300 0.050 0.000 1.174 1014 P CA 2.134 65.052 63.100 -0.304 0.000 0.934 1014 P CB 0.475 32.046 31.700 -0.215 0.000 0.791 1015 K N -0.849 119.617 120.400 0.109 0.000 2.103 1015 K HA -0.043 4.276 4.320 -0.002 0.000 0.204 1015 K C 2.013 178.712 176.600 0.165 0.000 1.052 1015 K CA 0.975 57.349 56.287 0.145 0.000 0.945 1015 K CB -0.784 31.784 32.500 0.113 0.000 0.722 1015 K HN -0.056 nan 8.250 nan 0.000 0.443 1016 V N 0.740 120.776 119.914 0.202 0.000 2.343 1016 V HA -0.277 3.842 4.120 -0.002 0.000 0.247 1016 V C 2.039 178.207 176.094 0.123 0.000 1.051 1016 V CA 1.727 64.125 62.300 0.163 0.000 1.036 1016 V CB -0.544 31.394 31.823 0.191 0.000 0.654 1016 V HN 0.291 nan 8.190 nan 0.000 0.451 1017 Y N 1.219 121.525 120.300 0.009 0.000 2.145 1017 Y HA -0.209 4.340 4.550 -0.002 0.000 0.286 1017 Y C 2.648 178.615 175.900 0.112 0.000 1.145 1017 Y CA 1.949 59.996 58.100 -0.089 0.000 1.148 1017 Y CB -0.237 38.210 38.460 -0.022 0.000 0.981 1017 Y HN 0.238 nan 8.280 nan 0.000 0.507 1018 E N 0.409 120.702 120.200 0.155 0.000 2.097 1018 E HA -0.296 4.053 4.350 -0.002 0.000 0.196 1018 E C 2.095 178.681 176.600 -0.023 0.000 1.000 1018 E CA 1.913 58.352 56.400 0.065 0.000 0.804 1018 E CB -0.367 29.447 29.700 0.189 0.000 0.740 1018 E HN 0.712 nan 8.360 nan 0.000 0.454 1019 Q N -0.505 119.314 119.800 0.032 0.000 2.084 1019 Q HA -0.187 4.152 4.340 -0.002 0.000 0.202 1019 Q C 2.110 178.128 176.000 0.031 0.000 0.978 1019 Q CA 1.376 57.199 55.803 0.032 0.000 0.844 1019 Q CB -0.324 28.447 28.738 0.056 0.000 0.898 1019 Q HN 0.349 nan 8.270 nan 0.000 0.426 1020 Y N 1.277 121.532 120.300 -0.074 0.000 2.181 1020 Y HA -0.250 4.299 4.550 -0.002 0.000 0.288 1020 Y C 1.887 177.734 175.900 -0.088 0.000 1.146 1020 Y CA 1.164 59.246 58.100 -0.030 0.000 1.164 1020 Y CB -0.105 38.389 38.460 0.056 0.000 0.982 1020 Y HN 0.028 nan 8.280 nan 0.000 0.515 1021 I N 0.385 120.764 120.570 -0.318 0.000 2.179 1021 I HA -0.294 3.875 4.170 -0.002 0.000 0.242 1021 I C 2.267 178.234 176.117 -0.249 0.000 1.088 1021 I CA 1.448 62.537 61.300 -0.352 0.000 1.357 1021 I CB -1.455 36.365 38.000 -0.300 0.000 1.051 1021 I HN 0.297 nan 8.210 nan 0.000 0.409 1022 Q N 0.520 120.223 119.800 -0.162 0.000 2.112 1022 Q HA -0.167 4.172 4.340 -0.002 0.000 0.206 1022 Q C 2.293 178.206 176.000 -0.145 0.000 0.987 1022 Q CA 2.386 58.118 55.803 -0.119 0.000 0.858 1022 Q CB -0.611 28.088 28.738 -0.065 0.000 0.905 1022 Q HN 0.474 nan 8.270 nan 0.000 0.420 1023 T N -0.535 113.936 114.554 -0.138 0.000 2.770 1023 T HA -0.085 4.264 4.350 -0.002 0.000 0.263 1023 T C 1.711 176.321 174.700 -0.151 0.000 1.039 1023 T CA 1.170 63.216 62.100 -0.090 0.000 1.142 1023 T CB -0.181 68.717 68.868 0.051 0.000 0.868 1023 T HN 0.256 nan 8.240 nan 0.000 0.435 1024 R N 1.222 121.537 120.500 -0.309 0.000 2.120 1024 R HA -0.034 4.305 4.340 -0.002 0.000 0.234 1024 R C 2.224 178.418 176.300 -0.176 0.000 1.123 1024 R CA 1.364 57.288 56.100 -0.295 0.000 0.975 1024 R CB -0.282 29.700 30.300 -0.530 0.000 0.866 1024 R HN 0.482 nan 8.270 nan 0.000 0.446 1025 N N -0.186 118.405 118.700 -0.182 0.000 2.149 1025 N HA -0.228 4.511 4.740 -0.002 0.000 0.188 1025 N C 1.813 177.237 175.510 -0.142 0.000 1.019 1025 N CA 1.209 54.178 53.050 -0.134 0.000 0.857 1025 N CB 0.008 38.419 38.487 -0.126 0.000 0.997 1025 N HN 0.397 nan 8.380 nan 0.000 0.426 1026 Q N -0.380 119.290 119.800 -0.216 0.000 2.089 1026 Q HA -0.054 4.285 4.340 -0.002 0.000 0.195 1026 Q C 0.770 176.587 176.000 -0.305 0.000 0.963 1026 Q CA 1.076 56.663 55.803 -0.361 0.000 0.834 1026 Q CB 0.262 28.620 28.738 -0.634 0.000 0.906 1026 Q HN 0.490 nan 8.270 nan 0.000 0.452 1027 Y N -1.106 119.193 120.300 -0.001 0.000 2.430 1027 Y HA 0.281 4.830 4.550 -0.002 0.000 0.248 1027 Y C 1.019 176.900 175.900 -0.031 0.000 1.108 1027 Y CA -0.257 57.853 58.100 0.017 0.000 1.264 1027 Y CB 1.463 39.950 38.460 0.045 0.000 1.172 1027 Y HN 0.338 nan 8.280 nan 0.000 0.520 1028 G N 1.622 110.463 108.800 0.068 0.000 2.584 1028 G HA2 -0.331 3.628 3.960 -0.002 0.000 0.229 1028 G HA3 -0.331 3.628 3.960 -0.002 0.000 0.229 1028 G C -0.581 174.324 174.900 0.009 0.000 1.320 1028 G CA -0.327 44.785 45.100 0.020 0.000 0.891 1028 G HN 0.397 nan 8.290 nan 0.000 0.573 1029 N N 0.600 119.306 118.700 0.009 0.000 2.402 1029 N HA 0.325 5.064 4.740 -0.002 0.000 0.259 1029 N C 1.778 177.275 175.510 -0.020 0.000 1.167 1029 N CA -0.356 52.702 53.050 0.014 0.000 0.949 1029 N CB -0.003 38.496 38.487 0.019 0.000 1.212 1029 N HN 0.475 nan 8.380 nan 0.000 0.493 1030 L N 2.329 123.533 121.223 -0.032 0.000 2.240 1030 L HA -0.090 4.248 4.340 -0.002 0.000 0.211 1030 L C 2.458 179.233 176.870 -0.158 0.000 1.106 1030 L CA 0.431 55.210 54.840 -0.102 0.000 0.793 1030 L CB -0.302 41.719 42.059 -0.062 0.000 0.927 1030 L HN 0.600 nan 8.230 nan 0.000 0.446 1031 S N 0.015 115.632 115.700 -0.138 0.000 2.528 1031 S HA -0.109 4.360 4.470 -0.002 0.000 0.244 1031 S C 1.662 176.171 174.600 -0.151 0.000 0.982 1031 S CA 0.832 58.918 58.200 -0.189 0.000 0.953 1031 S CB -0.478 62.655 63.200 -0.113 0.000 0.754 1031 S HN 0.464 nan 8.310 nan 0.000 0.529 1032 L N 0.002 121.162 121.223 -0.105 0.000 2.477 1032 L HA 0.354 4.693 4.340 -0.002 0.000 0.220 1032 L C 0.683 177.509 176.870 -0.073 0.000 1.106 1032 L CA -0.081 54.715 54.840 -0.073 0.000 0.851 1032 L CB -0.313 41.719 42.059 -0.044 0.000 0.994 1032 L HN 0.258 nan 8.230 nan 0.000 0.462 1033 L N 1.542 122.715 121.223 -0.083 0.000 2.456 1033 L HA 0.019 4.358 4.340 -0.002 0.000 0.272 1033 L C 0.438 177.257 176.870 -0.085 0.000 1.189 1033 L CA -0.271 54.540 54.840 -0.047 0.000 0.846 1033 L CB 0.193 42.269 42.059 0.029 0.000 1.111 1033 L HN 0.239 nan 8.230 nan 0.000 0.475 1034 D N 1.022 121.381 120.400 -0.068 0.000 2.399 1034 D HA -0.030 4.609 4.640 -0.002 0.000 0.241 1034 D C 0.648 176.849 176.300 -0.166 0.000 1.133 1034 D CA -0.367 53.563 54.000 -0.116 0.000 0.890 1034 D CB 1.163 41.896 40.800 -0.113 0.000 1.201 1034 D HN 0.520 nan 8.370 nan 0.000 0.432 1035 T N 2.300 116.693 114.554 -0.268 0.000 2.635 1035 T HA -0.102 4.247 4.350 -0.002 0.000 0.267 1035 T C -0.911 173.615 174.700 -0.290 0.000 1.040 1035 T CA 1.689 63.581 62.100 -0.346 0.000 1.156 1035 T CB -0.990 67.684 68.868 -0.324 0.000 0.863 1035 T HN 0.491 nan 8.240 nan 0.000 0.430 1036 P HA -0.070 nan 4.420 nan 0.000 0.216 1036 P C 1.606 179.016 177.300 0.182 0.000 1.153 1036 P CA 1.355 64.454 63.100 -0.001 0.000 0.858 1036 P CB -0.326 31.278 31.700 -0.160 0.000 0.789 1037 T N -1.146 113.441 114.554 0.055 0.000 2.833 1037 T HA -0.149 4.200 4.350 -0.002 0.000 0.269 1037 T C 1.435 176.209 174.700 0.123 0.000 1.054 1037 T CA 0.874 63.038 62.100 0.107 0.000 1.135 1037 T CB -1.000 67.913 68.868 0.077 0.000 0.869 1037 T HN 0.018 nan 8.240 nan 0.000 0.466 1038 F N 0.928 120.795 119.950 -0.139 0.000 2.134 1038 F HA 0.012 4.538 4.527 -0.002 0.000 0.299 1038 F C 1.552 177.153 175.800 -0.330 0.000 1.097 1038 F CA 1.046 58.914 58.000 -0.220 0.000 1.264 1038 F CB -0.410 38.269 39.000 -0.533 0.000 1.001 1038 F HN 0.185 nan 8.300 nan 0.000 0.479 1039 F N -2.536 117.184 119.950 -0.383 0.000 2.530 1039 F HA 0.047 4.573 4.527 -0.002 0.000 0.292 1039 F C 1.324 176.618 175.800 -0.843 0.000 1.109 1039 F CA 0.242 57.657 58.000 -0.976 0.000 1.450 1039 F CB -0.031 38.321 39.000 -1.079 0.000 1.114 1039 F HN -0.129 nan 8.300 nan 0.000 0.560 1040 F N -1.071 118.913 119.950 0.057 0.000 2.834 1040 F HA 0.411 4.937 4.527 -0.002 0.000 0.332 1040 F C 1.531 177.343 175.800 0.022 0.000 1.056 1040 F CA 0.337 58.370 58.000 0.055 0.000 1.178 1040 F CB 0.145 39.191 39.000 0.076 0.000 1.037 1040 F HN -0.002 nan 8.300 nan 0.000 0.580 1041 G N 1.824 110.718 108.800 0.155 0.000 2.523 1041 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.271 1041 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.271 1041 G C -0.148 174.834 174.900 0.137 0.000 1.146 1041 G CA 0.202 45.365 45.100 0.105 0.000 0.961 1041 G HN 0.086 nan 8.290 nan 0.000 0.549 1042 M N 0.300 119.969 119.600 0.116 0.000 2.664 1042 M HA 0.564 5.043 4.480 -0.002 0.000 0.279 1042 M C 0.222 176.562 176.300 0.067 0.000 1.275 1042 M CA -0.831 54.529 55.300 0.100 0.000 0.829 1042 M CB 2.712 35.385 32.600 0.122 0.000 1.727 1042 M HN 0.942 nan 8.290 nan 0.000 0.459 1043 R N 0.176 120.702 120.500 0.045 0.000 2.828 1043 R HA 0.542 4.881 4.340 -0.002 0.000 0.264 1043 R C -0.786 175.522 176.300 0.014 0.000 1.022 1043 R CA -0.827 55.285 56.100 0.019 0.000 1.021 1043 R CB 0.793 31.093 30.300 -0.000 0.000 1.163 1043 R HN 0.655 nan 8.270 nan 0.000 0.494 1044 N N -0.177 118.522 118.700 -0.001 0.000 2.356 1044 N HA 0.009 4.748 4.740 -0.002 0.000 0.252 1044 N C 0.525 176.035 175.510 -0.001 0.000 1.241 1044 N CA 1.444 54.489 53.050 -0.008 0.000 0.861 1044 N CB 0.462 38.938 38.487 -0.019 0.000 1.075 1044 N HN 0.912 nan 8.380 nan 0.000 0.461 1045 G N 1.011 109.814 108.800 0.004 0.000 2.189 1045 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.267 1045 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.267 1045 G C 0.096 175.009 174.900 0.022 0.000 0.975 1045 G CA 0.327 45.433 45.100 0.010 0.000 0.644 1045 G HN 0.700 nan 8.290 nan 0.000 0.537 1046 E N 0.380 120.599 120.200 0.031 0.000 2.319 1046 E HA 0.545 4.894 4.350 -0.002 0.000 0.268 1046 E C -0.484 176.149 176.600 0.055 0.000 1.050 1046 E CA -0.041 56.383 56.400 0.039 0.000 0.878 1046 E CB 0.634 30.359 29.700 0.041 0.000 1.066 1046 E HN 0.113 nan 8.360 nan 0.000 0.406 1047 T N 2.490 117.072 114.554 0.047 0.000 2.841 1047 T HA 0.375 4.724 4.350 -0.002 0.000 0.285 1047 T C -1.005 173.720 174.700 0.042 0.000 0.991 1047 T CA -0.566 61.563 62.100 0.049 0.000 0.966 1047 T CB 1.328 70.220 68.868 0.039 0.000 0.962 1047 T HN 0.192 nan 8.240 nan 0.000 0.438 1048 V N 3.584 123.524 119.914 0.044 0.000 2.448 1048 V HA 0.369 4.488 4.120 -0.002 0.000 0.295 1048 V C -0.031 176.074 176.094 0.019 0.000 1.025 1048 V CA -0.909 61.410 62.300 0.032 0.000 0.859 1048 V CB 1.828 33.675 31.823 0.040 0.000 0.988 1048 V HN 0.838 nan 8.190 nan 0.000 0.431 1049 E N 4.946 125.153 120.200 0.012 0.000 2.200 1049 E HA 0.504 4.853 4.350 -0.002 0.000 0.283 1049 E C -1.019 175.580 176.600 -0.002 0.000 1.015 1049 E CA -0.309 56.094 56.400 0.005 0.000 0.819 1049 E CB 1.843 31.547 29.700 0.005 0.000 1.081 1049 E HN 0.514 nan 8.360 nan 0.000 0.397 1050 I N 2.736 123.302 120.570 -0.006 0.000 2.382 1050 I HA 0.097 4.266 4.170 -0.002 0.000 0.285 1050 I C 0.277 176.386 176.117 -0.013 0.000 1.007 1050 I CA -0.489 60.804 61.300 -0.012 0.000 1.142 1050 I CB 1.278 39.269 38.000 -0.014 0.000 1.289 1050 I HN 0.464 nan 8.210 nan 0.000 0.453 1051 E N 6.664 126.855 120.200 -0.014 0.000 2.299 1051 E HA 0.146 4.495 4.350 -0.002 0.000 0.272 1051 E C 0.120 176.711 176.600 -0.015 0.000 1.043 1051 E CA 0.177 56.569 56.400 -0.013 0.000 0.895 1051 E CB 0.965 30.658 29.700 -0.013 0.000 1.011 1051 E HN 0.686 nan 8.360 nan 0.000 0.432 1052 I N 2.968 123.530 120.570 -0.013 0.000 3.883 1052 I HA 0.149 4.318 4.170 -0.002 0.000 0.305 1052 I C 0.048 176.159 176.117 -0.010 0.000 1.247 1052 I CA 0.117 61.410 61.300 -0.012 0.000 1.350 1052 I CB 0.562 38.556 38.000 -0.011 0.000 1.194 1052 I HN 0.512 nan 8.210 nan 0.000 0.441 1053 D N -0.329 120.065 120.400 -0.010 0.000 2.742 1053 D HA 0.105 4.744 4.640 -0.002 0.000 0.262 1053 D C -1.032 175.262 176.300 -0.009 0.000 1.240 1053 D CA -0.632 53.363 54.000 -0.009 0.000 0.752 1053 D CB 1.449 42.244 40.800 -0.008 0.000 1.290 1053 D HN -0.200 nan 8.370 nan 0.000 0.420 1054 K N 0.737 121.131 120.400 -0.010 0.000 2.405 1054 K HA 0.300 4.619 4.320 -0.002 0.000 0.273 1054 K C 0.996 177.591 176.600 -0.009 0.000 1.116 1054 K CA 1.493 57.774 56.287 -0.010 0.000 1.155 1054 K CB -0.538 31.956 32.500 -0.011 0.000 0.858 1054 K HN 0.623 nan 8.250 nan 0.000 0.477 1055 G N 3.433 112.228 108.800 -0.008 0.000 2.205 1055 G HA2 -0.292 3.666 3.960 -0.002 0.000 0.261 1055 G HA3 -0.292 3.666 3.960 -0.002 0.000 0.261 1055 G C -0.308 174.588 174.900 -0.007 0.000 0.980 1055 G CA 0.352 45.447 45.100 -0.007 0.000 0.632 1055 G HN 0.585 nan 8.290 nan 0.000 0.533 1056 K N 0.685 121.080 120.400 -0.008 0.000 2.274 1056 K HA 0.628 4.947 4.320 -0.002 0.000 0.262 1056 K C 0.262 176.857 176.600 -0.009 0.000 0.961 1056 K CA -0.657 55.625 56.287 -0.008 0.000 0.833 1056 K CB 1.318 33.813 32.500 -0.009 0.000 1.102 1056 K HN 0.641 nan 8.250 nan 0.000 0.436 1057 R N 2.046 122.541 120.500 -0.008 0.000 2.663 1057 R HA 0.416 4.755 4.340 -0.002 0.000 0.267 1057 R C -1.390 174.904 176.300 -0.010 0.000 1.038 1057 R CA -0.970 55.124 56.100 -0.009 0.000 0.886 1057 R CB 0.716 31.012 30.300 -0.007 0.000 1.249 1057 R HN 0.316 nan 8.270 nan 0.000 0.463 1058 L N 2.713 123.928 121.223 -0.013 0.000 2.275 1058 L HA 0.481 4.820 4.340 -0.002 0.000 0.288 1058 L C -0.307 176.556 176.870 -0.012 0.000 1.046 1058 L CA -1.132 53.698 54.840 -0.017 0.000 0.805 1058 L CB 1.254 43.297 42.059 -0.028 0.000 1.193 1058 L HN 0.469 nan 8.230 nan 0.000 0.426 1059 I N 5.281 125.846 120.570 -0.008 0.000 2.354 1059 I HA 0.388 4.557 4.170 -0.002 0.000 0.286 1059 I C -0.062 176.057 176.117 0.004 0.000 1.007 1059 I CA -0.310 60.991 61.300 0.002 0.000 1.167 1059 I CB 1.292 39.297 38.000 0.008 0.000 1.320 1059 I HN 0.501 nan 8.210 nan 0.000 0.458 1060 I N 6.234 126.809 120.570 0.009 0.000 2.382 1060 I HA 0.309 4.478 4.170 -0.002 0.000 0.285 1060 I C 0.262 176.429 176.117 0.084 0.000 1.007 1060 I CA -0.531 60.781 61.300 0.020 0.000 1.142 1060 I CB 1.526 39.500 38.000 -0.044 0.000 1.289 1060 I HN 0.438 nan 8.210 nan 0.000 0.453 1061 K N 7.198 127.669 120.400 0.118 0.000 2.159 1061 K HA 0.530 4.849 4.320 -0.002 0.000 0.266 1061 K C -1.223 175.510 176.600 0.222 0.000 0.975 1061 K CA -0.685 55.682 56.287 0.134 0.000 0.865 1061 K CB 1.673 34.227 32.500 0.091 0.000 1.087 1061 K HN 0.548 nan 8.250 nan 0.000 0.446 1062 L N 4.905 126.233 121.223 0.174 0.000 2.276 1062 L HA 0.225 4.564 4.340 -0.002 0.000 0.286 1062 L C 0.618 177.500 176.870 0.021 0.000 1.024 1062 L CA 0.004 54.904 54.840 0.100 0.000 0.826 1062 L CB 0.900 43.009 42.059 0.085 0.000 1.211 1062 L HN 0.838 nan 8.230 nan 0.000 0.422 1063 E N 2.147 122.350 120.200 0.006 0.000 2.011 1063 E HA 0.035 4.384 4.350 -0.002 0.000 0.191 1063 E C -0.071 176.509 176.600 -0.034 0.000 0.980 1063 E CA 1.264 57.665 56.400 0.002 0.000 0.814 1063 E CB 0.180 29.898 29.700 0.030 0.000 0.775 1063 E HN 0.771 nan 8.360 nan 0.000 0.454 1064 T N -1.482 113.054 114.554 -0.029 0.000 2.762 1064 T HA 0.613 4.962 4.350 -0.002 0.000 0.301 1064 T C -0.738 173.980 174.700 0.029 0.000 1.299 1064 T CA -0.858 61.219 62.100 -0.038 0.000 1.005 1064 T CB 1.240 70.042 68.868 -0.110 0.000 1.377 1064 T HN -0.004 nan 8.240 nan 0.000 0.504 1065 I N 2.245 122.825 120.570 0.017 0.000 2.406 1065 I HA 0.469 4.638 4.170 -0.002 0.000 0.290 1065 I C 0.853 177.015 176.117 0.074 0.000 0.999 1065 I CA -0.821 60.502 61.300 0.038 0.000 1.124 1065 I CB 2.074 40.070 38.000 -0.007 0.000 1.289 1065 I HN 0.943 nan 8.210 nan 0.000 0.441 1066 S N 5.293 121.075 115.700 0.137 0.000 2.641 1066 S HA 0.323 4.792 4.470 -0.002 0.000 0.261 1066 S C 0.169 174.817 174.600 0.079 0.000 1.257 1066 S CA -0.609 57.672 58.200 0.135 0.000 0.983 1066 S CB 0.871 64.201 63.200 0.217 0.000 0.990 1066 S HN 0.493 nan 8.310 nan 0.000 0.572 1067 E N 1.343 121.586 120.200 0.071 0.000 2.374 1067 E HA 0.346 4.695 4.350 -0.002 0.000 0.260 1067 E C -2.437 174.197 176.600 0.056 0.000 1.101 1067 E CA -2.160 54.270 56.400 0.051 0.000 0.907 1067 E CB -0.178 29.547 29.700 0.041 0.000 1.014 1067 E HN 0.468 nan 8.360 nan 0.000 0.427 1068 P HA 0.010 nan 4.420 nan 0.000 0.271 1068 P C -0.540 176.783 177.300 0.040 0.000 1.233 1068 P CA -0.085 63.041 63.100 0.043 0.000 0.764 1068 P CB 0.258 31.977 31.700 0.032 0.000 0.825 1069 D N 1.720 122.146 120.400 0.043 0.000 2.325 1069 D HA -0.040 4.599 4.640 -0.002 0.000 0.262 1069 D C 0.776 177.088 176.300 0.020 0.000 1.263 1069 D CA -0.115 53.904 54.000 0.032 0.000 1.020 1069 D CB 0.059 40.875 40.800 0.027 0.000 1.117 1069 D HN 0.217 nan 8.370 nan 0.000 0.545 1070 E N -1.530 118.678 120.200 0.013 0.000 2.333 1070 E HA -0.085 4.264 4.350 -0.002 0.000 0.198 1070 E C 0.417 177.020 176.600 0.006 0.000 1.007 1070 E CA 0.890 57.295 56.400 0.009 0.000 0.845 1070 E CB -0.322 29.381 29.700 0.006 0.000 0.766 1070 E HN 0.335 nan 8.360 nan 0.000 0.507 1071 N N -0.886 117.816 118.700 0.003 0.000 2.204 1071 N HA 0.190 4.929 4.740 -0.002 0.000 0.219 1071 N C 0.450 175.967 175.510 0.011 0.000 1.151 1071 N CA 0.549 53.601 53.050 0.002 0.000 0.867 1071 N CB 1.451 39.932 38.487 -0.010 0.000 1.043 1071 N HN 0.179 nan 8.380 nan 0.000 0.516 1072 G N 0.226 109.036 108.800 0.017 0.000 2.155 1072 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.257 1072 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.257 1072 G C -0.306 174.615 174.900 0.035 0.000 0.983 1072 G CA -0.230 44.885 45.100 0.025 0.000 0.676 1072 G HN 0.281 nan 8.290 nan 0.000 0.528 1073 N N 0.366 119.090 118.700 0.040 0.000 2.499 1073 N HA 0.520 5.259 4.740 -0.002 0.000 0.281 1073 N C 0.452 176.018 175.510 0.093 0.000 1.098 1073 N CA -0.017 53.074 53.050 0.069 0.000 0.979 1073 N CB 0.767 39.291 38.487 0.062 0.000 1.121 1073 N HN 0.418 nan 8.380 nan 0.000 0.466 1074 R N 0.233 120.796 120.500 0.105 0.000 2.514 1074 R HA 0.397 4.736 4.340 -0.002 0.000 0.301 1074 R C -0.405 175.961 176.300 0.109 0.000 0.962 1074 R CA -0.592 55.566 56.100 0.097 0.000 0.882 1074 R CB 1.232 31.566 30.300 0.057 0.000 1.143 1074 R HN 0.371 nan 8.270 nan 0.000 0.452 1075 T N 4.245 118.857 114.554 0.097 0.000 2.729 1075 T HA 0.329 4.678 4.350 -0.002 0.000 0.296 1075 T C 0.483 175.084 174.700 -0.165 0.000 0.928 1075 T CA -0.337 61.716 62.100 -0.079 0.000 1.045 1075 T CB 0.196 69.017 68.868 -0.079 0.000 0.902 1075 T HN 0.306 nan 8.240 nan 0.000 0.500 1076 I N 3.595 123.992 120.570 -0.287 0.000 2.342 1076 I HA 0.242 4.410 4.170 -0.002 0.000 0.291 1076 I C -0.483 175.349 176.117 -0.476 0.000 1.010 1076 I CA -0.839 60.260 61.300 -0.335 0.000 1.308 1076 I CB 0.604 38.325 38.000 -0.464 0.000 1.400 1076 I HN 0.565 nan 8.210 nan 0.000 0.488 1077 Y N 6.302 126.406 120.300 -0.326 0.000 2.425 1077 Y HA 0.342 4.892 4.550 -0.001 0.000 0.347 1077 Y C -0.323 175.433 175.900 -0.241 0.000 0.976 1077 Y CA -0.088 57.887 58.100 -0.208 0.000 1.190 1077 Y CB 0.191 38.582 38.460 -0.114 0.000 1.136 1077 Y HN 0.370 nan 8.280 nan 0.000 0.517 1078 Y N 1.064 121.392 120.300 0.046 0.000 2.487 1078 Y HA 0.748 5.298 4.550 -0.002 0.000 0.337 1078 Y C -0.152 175.772 175.900 0.042 0.000 1.076 1078 Y CA -1.435 56.685 58.100 0.034 0.000 1.115 1078 Y CB 1.912 40.369 38.460 -0.004 0.000 1.235 1078 Y HN 0.516 nan 8.280 nan 0.000 0.468 1079 A N 3.888 126.856 122.820 0.247 0.000 2.340 1079 A HA 0.630 4.949 4.320 -0.002 0.000 0.297 1079 A C -1.158 176.483 177.584 0.095 0.000 1.195 1079 A CA -0.595 51.524 52.037 0.138 0.000 0.769 1079 A CB 0.614 19.676 19.000 0.103 0.000 1.163 1079 A HN 0.802 nan 8.150 nan 0.000 0.472 1080 M N 3.375 123.006 119.600 0.052 0.000 2.134 1080 M HA 0.385 4.864 4.480 -0.002 0.000 0.310 1080 M C -0.567 175.737 176.300 0.006 0.000 0.966 1080 M CA -0.125 55.178 55.300 0.005 0.000 0.922 1080 M CB 0.637 33.210 32.600 -0.046 0.000 1.537 1080 M HN 0.748 nan 8.290 nan 0.000 0.424 1081 N N 3.716 122.419 118.700 0.005 0.000 2.714 1081 N HA -0.173 4.566 4.740 -0.002 0.000 0.253 1081 N C 0.515 176.031 175.510 0.010 0.000 1.024 1081 N CA 1.684 54.737 53.050 0.004 0.000 0.726 1081 N CB -1.598 36.886 38.487 -0.004 0.000 0.908 1081 N HN 1.177 nan 8.380 nan 0.000 0.542 1082 G N -1.636 107.175 108.800 0.019 0.000 2.153 1082 G HA2 -0.346 3.613 3.960 -0.002 0.000 0.252 1082 G HA3 -0.346 3.613 3.960 -0.002 0.000 0.252 1082 G C -0.115 174.801 174.900 0.025 0.000 0.994 1082 G CA 0.746 45.859 45.100 0.022 0.000 0.698 1082 G HN 0.661 nan 8.290 nan 0.000 0.521 1083 Q N -0.320 119.497 119.800 0.028 0.000 2.304 1083 Q HA 0.729 5.068 4.340 -0.002 0.000 0.270 1083 Q C 0.072 176.102 176.000 0.051 0.000 1.035 1083 Q CA 0.233 56.055 55.803 0.032 0.000 0.781 1083 Q CB 1.651 30.399 28.738 0.016 0.000 1.261 1083 Q HN 1.013 nan 8.270 nan 0.000 0.444 1084 A N 3.372 126.230 122.820 0.063 0.000 2.450 1084 A HA 0.677 4.996 4.320 -0.002 0.000 0.255 1084 A C -0.401 177.230 177.584 0.079 0.000 1.096 1084 A CA -0.026 52.062 52.037 0.085 0.000 0.778 1084 A CB 0.362 19.419 19.000 0.094 0.000 1.031 1084 A HN 0.653 nan 8.150 nan 0.000 0.494 1085 R N 0.801 121.356 120.500 0.092 0.000 2.771 1085 R HA 0.633 4.972 4.340 -0.002 0.000 0.274 1085 R C -1.021 175.291 176.300 0.020 0.000 0.987 1085 R CA -0.488 55.652 56.100 0.066 0.000 0.908 1085 R CB 1.563 31.906 30.300 0.072 0.000 1.213 1085 R HN 0.826 nan 8.270 nan 0.000 0.468 1086 R N 3.196 123.646 120.500 -0.083 0.000 2.621 1086 R HA 0.570 4.909 4.340 -0.002 0.000 0.292 1086 R C -0.876 175.212 176.300 -0.354 0.000 0.969 1086 R CA -0.947 54.967 56.100 -0.311 0.000 0.887 1086 R CB 1.735 31.758 30.300 -0.461 0.000 1.180 1086 R HN 0.326 nan 8.270 nan 0.000 0.450 1087 I N 3.189 123.515 120.570 -0.408 0.000 2.582 1087 I HA 0.329 4.498 4.170 -0.002 0.000 0.292 1087 I C -0.900 174.957 176.117 -0.434 0.000 1.066 1087 I CA -1.107 60.026 61.300 -0.279 0.000 1.053 1087 I CB 1.860 39.916 38.000 0.095 0.000 1.241 1087 I HN 0.579 nan 8.210 nan 0.000 0.421 1088 Y N 5.604 125.918 120.300 0.023 0.000 2.331 1088 Y HA 0.558 5.107 4.550 -0.002 0.000 0.338 1088 Y C 0.128 176.047 175.900 0.031 0.000 0.992 1088 Y CA -0.808 57.297 58.100 0.009 0.000 1.121 1088 Y CB 1.653 40.113 38.460 0.000 0.000 1.184 1088 Y HN 0.201 nan 8.280 nan 0.000 0.469 1089 I N 3.965 124.629 120.570 0.156 0.000 2.465 1089 I HA 0.221 4.390 4.170 -0.002 0.000 0.291 1089 I C -0.268 175.903 176.117 0.091 0.000 1.014 1089 I CA -1.445 59.921 61.300 0.110 0.000 1.093 1089 I CB 1.923 39.968 38.000 0.076 0.000 1.267 1089 I HN 0.534 nan 8.210 nan 0.000 0.431 1090 K N 4.703 125.148 120.400 0.075 0.000 2.379 1090 K HA 0.037 4.356 4.320 -0.002 0.000 0.284 1090 K C -0.544 176.082 176.600 0.042 0.000 1.044 1090 K CA -0.140 56.180 56.287 0.054 0.000 0.974 1090 K CB 0.538 33.065 32.500 0.044 0.000 0.962 1090 K HN 0.464 nan 8.250 nan 0.000 0.474 1091 D N 4.095 124.517 120.400 0.036 0.000 2.339 1091 D HA 0.004 4.643 4.640 -0.002 0.000 0.256 1091 D C 0.485 176.798 176.300 0.023 0.000 1.214 1091 D CA 0.229 54.245 54.000 0.028 0.000 0.877 1091 D CB 0.704 41.520 40.800 0.027 0.000 1.111 1091 D HN 0.492 nan 8.370 nan 0.000 0.478 1092 E N 2.146 122.357 120.200 0.019 0.000 2.515 1092 E HA -0.106 4.243 4.350 -0.002 0.000 0.201 1092 E C 0.068 176.676 176.600 0.015 0.000 1.071 1092 E CA 0.202 56.612 56.400 0.016 0.000 0.880 1092 E CB 0.173 29.880 29.700 0.013 0.000 0.828 1092 E HN 0.416 nan 8.360 nan 0.000 0.540 1141 E N -0.395 119.807 120.200 0.004 0.000 2.367 1141 E HA 0.740 5.089 4.350 -0.002 0.000 0.292 1141 E C -0.022 176.580 176.600 0.004 0.000 0.900 1141 E CA 0.034 56.436 56.400 0.004 0.000 0.807 1141 E CB 1.152 30.854 29.700 0.004 0.000 1.337 1141 E HN 1.028 nan 8.360 nan 0.000 0.394 1142 A N 4.191 127.013 122.820 0.003 0.000 3.280 1142 A HA 0.464 4.783 4.320 -0.002 0.000 0.203 1142 A C 0.370 177.955 177.584 0.003 0.000 2.143 1142 A CA -0.094 51.945 52.037 0.003 0.000 1.168 1142 A CB 0.201 19.203 19.000 0.003 0.000 1.267 1142 A HN 0.583 nan 8.150 nan 0.000 0.436 1143 M N 0.437 120.039 119.600 0.003 0.000 3.145 1143 M HA 0.279 4.758 4.480 -0.002 0.000 0.254 1143 M C -0.601 175.701 176.300 0.003 0.000 1.264 1143 M CA 0.005 55.306 55.300 0.003 0.000 1.293 1143 M CB 0.231 32.832 32.600 0.003 0.000 1.170 1143 M HN 0.507 nan 8.290 nan 0.000 0.572 1144 K N -0.946 119.455 120.400 0.003 0.000 3.209 1144 K HA -0.160 4.159 4.320 -0.002 0.000 0.289 1144 K C -0.523 176.079 176.600 0.002 0.000 1.191 1144 K CA 0.698 56.986 56.287 0.002 0.000 0.851 1144 K CB -1.068 31.433 32.500 0.002 0.000 1.242 1144 K HN 0.424 nan 8.250 nan 0.000 0.480 1145 M N 0.762 120.363 119.600 0.003 0.000 2.436 1145 M HA 0.359 4.838 4.480 -0.002 0.000 0.331 1145 M C -0.273 176.029 176.300 0.003 0.000 1.135 1145 M CA -0.454 54.847 55.300 0.003 0.000 0.987 1145 M CB 1.562 34.164 32.600 0.003 0.000 1.687 1145 M HN 0.140 nan 8.290 nan 0.000 0.445 1146 E N 1.254 121.455 120.200 0.003 0.000 2.292 1146 E HA 0.728 5.077 4.350 -0.002 0.000 0.272 1146 E C -1.463 175.139 176.600 0.003 0.000 0.881 1146 E CA -0.271 56.130 56.400 0.003 0.000 0.754 1146 E CB 1.956 31.658 29.700 0.003 0.000 1.201 1146 E HN 0.808 nan 8.360 nan 0.000 0.425 1147 T N 0.000 114.556 114.554 0.003 0.000 3.816 1147 T HA 0.000 4.349 4.350 -0.002 0.000 0.228 1147 T CA 0.000 62.102 62.100 0.003 0.000 1.349 1147 T CB 0.000 68.870 68.868 0.003 0.000 0.612 1147 T HN 0.000 nan 8.240 nan 0.000 0.658