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 3bg5_1_B DATA FIRST_RESID 36 DATA SEQUENCE QIKKLLVANR GEIAIRIFRA AAELDISTVA IYSNEDKSSL HRYKADESYL DATA SEQUENCE VGSDLGPAES YLNIERIIDV AKQANVDAIH PGYGFLSENE QFARRCAEEG DATA SEQUENCE IKFIGPHLEH LDMFGDKVKA RTTAIKADLP VIPXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXIDNPKHI 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 KVTPSSKVVG DMALYMVQND LDEQSVITDG DATA SEQUENCE YKLDFPESVV SFFKGEIGQP VNGFNKDLQA VILKGQEALT ARPGEYLEPV DATA SEQUENCE DFEKVRELLE EEQQGPVTEQ DIISYVLYPK VYEQYIQTRN QYGNLSLLDT DATA SEQUENCE PTFFFGMRNG ETVEIEIDKG KRLIIKLETI SEPDENGNRT IYYAMNGQAR DATA SEQUENCE RIYIKDENVH TNANVKPKAD KSNPSHIGAQ MPGSVTEVKV SVGETVKANQ DATA SEQUENCE PLLITEAMKM ETTIQAPFDG VIKQVTVNNG DTIATGDLLI EIE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 36 Q HA 0.000 nan 4.340 nan 0.000 0.214 36 Q C 0.000 176.012 176.000 0.021 0.000 1.003 36 Q CA 0.000 55.815 55.803 0.021 0.000 1.022 36 Q CB 0.000 28.750 28.738 0.020 0.000 1.108 37 I N 2.266 122.849 120.570 0.022 0.000 2.404 37 I HA 0.364 4.534 4.170 -0.000 0.000 0.293 37 I C 0.964 177.098 176.117 0.027 0.000 0.992 37 I CA -0.438 60.877 61.300 0.025 0.000 1.149 37 I CB 1.782 39.799 38.000 0.028 0.000 1.315 37 I HN 0.410 nan 8.210 nan 0.000 0.446 38 K N 4.395 124.812 120.400 0.027 0.000 2.172 38 K HA 0.138 4.458 4.320 -0.000 0.000 0.203 38 K C 0.147 176.766 176.600 0.032 0.000 1.040 38 K CA 0.703 57.006 56.287 0.026 0.000 0.974 38 K CB 0.468 32.981 32.500 0.022 0.000 0.857 38 K HN 0.570 nan 8.250 nan 0.000 0.464 39 K N 0.699 121.122 120.400 0.038 0.000 2.464 39 K HA 0.446 4.766 4.320 -0.000 0.000 0.253 39 K C -1.356 175.283 176.600 0.065 0.000 0.933 39 K CA -0.753 55.563 56.287 0.048 0.000 0.801 39 K CB 2.007 34.533 32.500 0.043 0.000 1.271 39 K HN -0.024 nan 8.250 nan 0.000 0.430 40 L N 4.451 125.727 121.223 0.087 0.000 2.385 40 L HA 0.554 4.894 4.340 -0.000 0.000 0.273 40 L C -1.665 175.307 176.870 0.170 0.000 0.990 40 L CA -1.160 53.751 54.840 0.118 0.000 0.821 40 L CB 1.665 43.802 42.059 0.129 0.000 1.279 40 L HN 0.901 nan 8.230 nan 0.000 0.412 41 L N 5.421 126.748 121.223 0.174 0.000 2.317 41 L HA 0.592 4.932 4.340 -0.000 0.000 0.281 41 L C -1.081 175.932 176.870 0.238 0.000 1.024 41 L CA -0.585 54.390 54.840 0.224 0.000 0.810 41 L CB 1.891 44.063 42.059 0.189 0.000 1.240 41 L HN 0.447 nan 8.230 nan 0.000 0.427 42 V N 5.200 125.284 119.914 0.284 0.000 2.364 42 V HA 0.323 4.443 4.120 -0.000 0.000 0.272 42 V C 0.914 177.095 176.094 0.146 0.000 1.036 42 V CA -0.179 62.202 62.300 0.135 0.000 0.880 42 V CB 1.151 32.900 31.823 -0.124 0.000 0.991 42 V HN 0.916 nan 8.190 nan 0.000 0.460 43 A N 4.846 127.756 122.820 0.149 0.000 2.916 43 A HA 0.369 4.689 4.320 -0.000 0.000 0.254 43 A C 0.431 178.041 177.584 0.044 0.000 1.544 43 A CA 0.234 52.350 52.037 0.131 0.000 1.224 43 A CB -0.878 18.244 19.000 0.203 0.000 1.012 43 A HN 0.877 nan 8.150 nan 0.000 0.636 44 N N -1.137 117.559 118.700 -0.007 0.000 3.243 44 N HA 0.637 5.377 4.740 -0.000 0.000 0.280 44 N C -0.460 174.834 175.510 -0.361 0.000 1.545 44 N CA -0.836 52.094 53.050 -0.200 0.000 0.854 44 N CB 1.092 39.461 38.487 -0.197 0.000 1.612 44 N HN 0.465 nan 8.380 nan 0.000 0.577 45 R N -0.355 119.753 120.500 -0.653 0.000 3.121 45 R HA 0.861 5.201 4.340 -0.000 0.000 0.242 45 R C 0.231 176.118 176.300 -0.690 0.000 1.402 45 R CA -0.481 54.948 56.100 -1.117 0.000 1.042 45 R CB -0.277 29.435 30.300 -0.981 0.000 1.410 45 R HN 0.680 nan 8.270 nan 0.000 0.494 46 G N 0.518 109.004 108.800 -0.523 0.000 2.641 46 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.254 46 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.254 46 G C 0.406 175.217 174.900 -0.147 0.000 1.315 46 G CA 0.658 45.645 45.100 -0.189 0.000 0.907 46 G HN 0.848 nan 8.290 nan 0.000 0.572 47 E N -0.747 119.418 120.200 -0.058 0.000 2.204 47 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 47 E C 2.399 178.947 176.600 -0.087 0.000 0.990 47 E CA 1.671 58.052 56.400 -0.031 0.000 0.821 47 E CB -0.181 29.543 29.700 0.039 0.000 0.750 47 E HN 0.768 nan 8.360 nan 0.000 0.477 48 I N 0.733 121.204 120.570 -0.165 0.000 2.315 48 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 48 I C 2.111 177.973 176.117 -0.427 0.000 1.117 48 I CA 1.194 62.317 61.300 -0.295 0.000 1.404 48 I CB -0.565 37.057 38.000 -0.629 0.000 1.071 48 I HN 0.136 nan 8.210 nan 0.000 0.419 49 A N 0.727 123.263 122.820 -0.474 0.000 1.877 49 A HA -0.166 4.154 4.320 -0.000 0.000 0.216 49 A C 2.322 179.408 177.584 -0.830 0.000 1.186 49 A CA 2.041 53.649 52.037 -0.716 0.000 0.620 49 A CB -1.037 17.613 19.000 -0.584 0.000 0.822 49 A HN 0.478 nan 8.150 nan 0.000 0.443 50 I N -0.873 119.500 120.570 -0.330 0.000 2.151 50 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 50 I C 2.699 178.763 176.117 -0.089 0.000 1.080 50 I CA 1.979 63.238 61.300 -0.069 0.000 1.339 50 I CB -0.340 37.669 38.000 0.016 0.000 1.039 50 I HN 0.311 nan 8.210 nan 0.000 0.409 51 R N 1.604 122.025 120.500 -0.131 0.000 2.083 51 R HA -0.158 4.182 4.340 -0.000 0.000 0.237 51 R C 2.032 178.254 176.300 -0.130 0.000 1.137 51 R CA 1.869 57.919 56.100 -0.083 0.000 0.951 51 R CB -0.763 29.507 30.300 -0.051 0.000 0.851 51 R HN 0.355 nan 8.270 nan 0.000 0.434 52 I N -0.457 119.935 120.570 -0.297 0.000 2.252 52 I HA -0.243 3.927 4.170 -0.000 0.000 0.245 52 I C 1.976 178.042 176.117 -0.086 0.000 1.102 52 I CA 1.345 62.463 61.300 -0.303 0.000 1.385 52 I CB -0.348 37.315 38.000 -0.562 0.000 1.064 52 I HN 0.120 nan 8.210 nan 0.000 0.414 53 F N 0.842 120.762 119.950 -0.049 0.000 2.126 53 F HA -0.226 4.301 4.527 -0.000 0.000 0.299 53 F C 2.827 178.623 175.800 -0.008 0.000 1.096 53 F CA 0.885 58.876 58.000 -0.016 0.000 1.255 53 F CB -0.363 38.634 39.000 -0.004 0.000 0.997 53 F HN -0.087 nan 8.300 nan 0.000 0.479 54 R N 0.345 120.949 120.500 0.174 0.000 2.081 54 R HA -0.143 4.197 4.340 -0.000 0.000 0.235 54 R C 2.486 178.829 176.300 0.071 0.000 1.131 54 R CA 1.194 57.354 56.100 0.101 0.000 0.960 54 R CB -0.706 29.636 30.300 0.070 0.000 0.856 54 R HN 0.262 nan 8.270 nan 0.000 0.436 55 A N 1.120 123.970 122.820 0.050 0.000 1.902 55 A HA -0.144 4.176 4.320 -0.000 0.000 0.217 55 A C 2.345 179.962 177.584 0.055 0.000 1.181 55 A CA 1.794 53.854 52.037 0.040 0.000 0.623 55 A CB -0.674 18.336 19.000 0.016 0.000 0.818 55 A HN 0.419 nan 8.150 nan 0.000 0.443 56 A N -0.200 122.668 122.820 0.080 0.000 1.873 56 A HA 0.209 4.529 4.320 -0.000 0.000 0.215 56 A C 2.516 180.142 177.584 0.071 0.000 1.186 56 A CA 1.963 54.053 52.037 0.088 0.000 0.616 56 A CB -1.085 17.996 19.000 0.135 0.000 0.823 56 A HN 1.111 nan 8.150 nan 0.000 0.442 57 A N -0.107 122.759 122.820 0.076 0.000 1.978 57 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 57 A C 1.834 179.442 177.584 0.040 0.000 1.170 57 A CA 1.733 53.801 52.037 0.051 0.000 0.636 57 A CB -0.553 18.478 19.000 0.051 0.000 0.810 57 A HN 0.657 nan 8.150 nan 0.000 0.448 58 E N -0.758 119.467 120.200 0.043 0.000 2.347 58 E HA -0.003 4.347 4.350 -0.000 0.000 0.196 58 E C 0.754 177.372 176.600 0.030 0.000 1.008 58 E CA 0.491 56.911 56.400 0.034 0.000 0.852 58 E CB -0.092 29.629 29.700 0.034 0.000 0.783 58 E HN 0.640 nan 8.360 nan 0.000 0.505 59 L N 0.156 121.398 121.223 0.033 0.000 2.818 59 L HA 0.158 4.498 4.340 -0.000 0.000 0.243 59 L C -0.553 176.333 176.870 0.026 0.000 1.185 59 L CA -0.268 54.589 54.840 0.028 0.000 0.988 59 L CB 0.065 42.143 42.059 0.031 0.000 1.292 59 L HN -0.060 nan 8.230 nan 0.000 0.519 60 D N 1.240 121.656 120.400 0.026 0.000 2.689 60 D HA -0.191 4.449 4.640 -0.000 0.000 0.237 60 D C -0.369 175.946 176.300 0.024 0.000 1.148 60 D CA 0.861 54.874 54.000 0.022 0.000 0.656 60 D CB -0.795 40.016 40.800 0.017 0.000 1.050 60 D HN 0.283 nan 8.370 nan 0.000 0.426 61 I N 0.176 120.766 120.570 0.032 0.000 2.378 61 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 61 I C 0.746 176.883 176.117 0.034 0.000 0.992 61 I CA -0.788 60.535 61.300 0.037 0.000 1.154 61 I CB 1.827 39.858 38.000 0.052 0.000 1.315 61 I HN -0.007 nan 8.210 nan 0.000 0.448 62 S N 4.289 120.003 115.700 0.023 0.000 2.560 62 S HA 0.252 4.722 4.470 -0.000 0.000 0.284 62 S C 0.080 174.687 174.600 0.012 0.000 1.327 62 S CA -0.298 57.905 58.200 0.006 0.000 1.055 62 S CB 0.256 63.460 63.200 0.007 0.000 0.868 62 S HN 0.732 nan 8.310 nan 0.000 0.506 63 T N 1.104 115.631 114.554 -0.045 0.000 2.908 63 T HA 0.740 5.090 4.350 -0.000 0.000 0.290 63 T C -0.859 173.757 174.700 -0.140 0.000 1.034 63 T CA -0.815 61.243 62.100 -0.071 0.000 1.010 63 T CB 1.420 70.151 68.868 -0.228 0.000 1.068 63 T HN 0.410 nan 8.240 nan 0.000 0.481 64 V N 1.099 120.999 119.914 -0.023 0.000 2.577 64 V HA 0.774 4.894 4.120 -0.000 0.000 0.303 64 V C 0.048 176.234 176.094 0.154 0.000 1.042 64 V CA -1.079 61.230 62.300 0.016 0.000 0.872 64 V CB 1.415 33.318 31.823 0.134 0.000 0.998 64 V HN 1.355 nan 8.190 nan 0.000 0.423 65 A N 5.723 128.596 122.820 0.088 0.000 2.305 65 A HA 0.934 5.254 4.320 -0.000 0.000 0.322 65 A C -0.403 177.334 177.584 0.254 0.000 1.187 65 A CA -0.566 51.675 52.037 0.339 0.000 0.825 65 A CB 0.798 19.957 19.000 0.266 0.000 1.164 65 A HN 1.054 nan 8.150 nan 0.000 0.498 66 I N 0.111 120.860 120.570 0.297 0.000 2.412 66 I HA 0.822 4.992 4.170 -0.000 0.000 0.296 66 I C -0.803 175.455 176.117 0.235 0.000 0.987 66 I CA -0.879 60.492 61.300 0.118 0.000 1.180 66 I CB 1.340 39.347 38.000 0.012 0.000 1.340 66 I HN 0.684 nan 8.210 nan 0.000 0.455 67 Y N 2.591 122.890 120.300 -0.001 0.000 2.524 67 Y HA 0.776 5.326 4.550 -0.000 0.000 0.347 67 Y C 0.041 175.847 175.900 -0.157 0.000 1.005 67 Y CA -0.973 57.129 58.100 0.004 0.000 1.025 67 Y CB 0.808 39.241 38.460 -0.045 0.000 1.275 67 Y HN 0.796 nan 8.280 nan 0.000 0.460 68 S N 0.441 116.154 115.700 0.021 0.000 2.632 68 S HA 0.230 4.700 4.470 -0.000 0.000 0.267 68 S C 0.386 175.085 174.600 0.163 0.000 1.193 68 S CA -0.019 58.171 58.200 -0.017 0.000 1.003 68 S CB 0.654 63.935 63.200 0.135 0.000 1.073 68 S HN 0.913 nan 8.310 nan 0.000 0.553 69 N N -0.122 118.647 118.700 0.114 0.000 2.409 69 N HA 0.006 4.746 4.740 -0.000 0.000 0.179 69 N C 1.424 177.027 175.510 0.154 0.000 1.032 69 N CA 0.560 53.685 53.050 0.125 0.000 0.898 69 N CB -0.008 38.517 38.487 0.064 0.000 0.971 69 N HN 0.665 nan 8.380 nan 0.000 0.441 70 E N -0.368 119.952 120.200 0.200 0.000 2.452 70 E HA 0.006 4.356 4.350 -0.000 0.000 0.197 70 E C -0.107 176.610 176.600 0.196 0.000 1.022 70 E CA 0.267 56.795 56.400 0.213 0.000 0.890 70 E CB 0.517 30.393 29.700 0.293 0.000 0.918 70 E HN 0.220 nan 8.360 nan 0.000 0.496 71 D N 0.482 121.010 120.400 0.213 0.000 2.395 71 D HA 0.031 4.671 4.640 -0.000 0.000 0.226 71 D C 1.022 177.338 176.300 0.027 0.000 1.146 71 D CA 0.101 54.202 54.000 0.167 0.000 0.830 71 D CB 0.341 41.316 40.800 0.291 0.000 0.958 71 D HN -0.048 nan 8.370 nan 0.000 0.501 72 K N -0.195 120.210 120.400 0.009 0.000 2.280 72 K HA 0.005 4.325 4.320 -0.000 0.000 0.202 72 K C 1.000 177.480 176.600 -0.200 0.000 1.047 72 K CA 0.632 56.809 56.287 -0.183 0.000 0.942 72 K CB 0.247 32.734 32.500 -0.023 0.000 0.739 72 K HN -0.030 nan 8.250 nan 0.000 0.457 73 S N 0.130 115.812 115.700 -0.030 0.000 2.629 73 S HA 0.031 4.501 4.470 -0.000 0.000 0.236 73 S C 0.290 174.986 174.600 0.159 0.000 1.010 73 S CA -0.354 57.914 58.200 0.112 0.000 0.981 73 S CB 0.707 64.025 63.200 0.197 0.000 0.919 73 S HN 0.122 nan 8.310 nan 0.000 0.514 74 S N 1.989 117.704 115.700 0.024 0.000 2.498 74 S HA 0.227 4.697 4.470 -0.000 0.000 0.281 74 S C 1.261 175.728 174.600 -0.223 0.000 1.265 74 S CA -0.357 57.875 58.200 0.053 0.000 1.071 74 S CB 0.074 63.380 63.200 0.178 0.000 0.894 74 S HN 0.493 nan 8.310 nan 0.000 0.491 75 L N 5.587 126.567 121.223 -0.405 0.000 2.103 75 L HA -0.231 4.109 4.340 -0.000 0.000 0.215 75 L C 2.687 179.453 176.870 -0.173 0.000 1.080 75 L CA 2.241 56.854 54.840 -0.378 0.000 0.764 75 L CB -0.538 41.117 42.059 -0.673 0.000 0.890 75 L HN 0.973 nan 8.230 nan 0.000 0.435 76 H N -0.349 118.629 119.070 -0.154 0.000 2.422 76 H HA -0.258 4.298 4.556 -0.000 0.000 0.298 76 H C 2.135 177.477 175.328 0.022 0.000 1.098 76 H CA 1.596 57.641 56.048 -0.005 0.000 1.315 76 H CB -0.472 29.287 29.762 -0.005 0.000 1.382 76 H HN 0.403 nan 8.280 nan 0.000 0.523 77 R N 0.443 120.372 120.500 -0.952 0.000 2.105 77 R HA -0.174 4.166 4.340 -0.000 0.000 0.239 77 R C 1.467 177.396 176.300 -0.618 0.000 1.135 77 R CA 1.821 57.381 56.100 -0.899 0.000 0.967 77 R CB -0.296 29.265 30.300 -1.231 0.000 0.861 77 R HN 0.452 nan 8.270 nan 0.000 0.442 78 Y N -0.443 119.713 120.300 -0.240 0.000 2.448 78 Y HA 0.127 4.677 4.550 -0.000 0.000 0.289 78 Y C 1.528 177.339 175.900 -0.147 0.000 1.114 78 Y CA 0.044 58.032 58.100 -0.187 0.000 1.235 78 Y CB 0.356 38.715 38.460 -0.169 0.000 1.045 78 Y HN -0.235 nan 8.280 nan 0.000 0.554 79 K N 1.181 121.599 120.400 0.030 0.000 2.790 79 K HA 0.337 4.657 4.320 -0.000 0.000 0.229 79 K C -0.193 176.319 176.600 -0.146 0.000 1.040 79 K CA 0.115 56.425 56.287 0.038 0.000 1.211 79 K CB -0.415 32.181 32.500 0.160 0.000 1.002 79 K HN 0.199 nan 8.250 nan 0.000 0.479 80 A N -0.018 122.596 122.820 -0.344 0.000 2.527 80 A HA 0.367 4.687 4.320 -0.000 0.000 0.293 80 A C 0.078 177.445 177.584 -0.362 0.000 1.117 80 A CA -0.679 50.954 52.037 -0.674 0.000 0.723 80 A CB 1.084 19.384 19.000 -1.167 0.000 1.313 80 A HN 0.032 nan 8.150 nan 0.000 0.411 81 D N 0.185 120.388 120.400 -0.328 0.000 2.194 81 D HA 0.032 4.672 4.640 -0.000 0.000 0.204 81 D C -0.041 176.151 176.300 -0.180 0.000 0.964 81 D CA 1.344 55.231 54.000 -0.189 0.000 0.846 81 D CB 0.465 41.186 40.800 -0.132 0.000 0.962 81 D HN 0.637 nan 8.370 nan 0.000 0.490 82 E N -0.163 119.903 120.200 -0.223 0.000 2.272 82 E HA 0.416 4.766 4.350 -0.000 0.000 0.269 82 E C -1.140 175.270 176.600 -0.318 0.000 0.877 82 E CA -0.443 55.797 56.400 -0.265 0.000 0.755 82 E CB 2.351 31.954 29.700 -0.162 0.000 1.192 82 E HN -0.210 nan 8.360 nan 0.000 0.422 83 S N 2.052 117.485 115.700 -0.444 0.000 2.519 83 S HA 0.549 5.019 4.470 -0.000 0.000 0.309 83 S C -1.285 173.038 174.600 -0.461 0.000 1.100 83 S CA -0.635 57.424 58.200 -0.235 0.000 1.059 83 S CB 0.564 63.726 63.200 -0.063 0.000 1.008 83 S HN 0.359 nan 8.310 nan 0.000 0.478 84 Y N 1.115 121.415 120.300 0.000 0.000 2.457 84 Y HA 0.484 5.034 4.550 -0.000 0.000 0.343 84 Y C -0.443 174.978 175.900 -0.798 0.000 0.994 84 Y CA -1.217 56.738 58.100 -0.243 0.000 1.031 84 Y CB 1.286 39.660 38.460 -0.144 0.000 1.246 84 Y HN 0.535 nan 8.280 nan 0.000 0.449 85 L N 3.590 124.440 121.223 -0.622 0.000 2.367 85 L HA 0.437 4.777 4.340 -0.000 0.000 0.275 85 L C -0.829 175.795 176.870 -0.410 0.000 1.129 85 L CA -0.132 54.235 54.840 -0.789 0.000 0.839 85 L CB 0.719 42.572 42.059 -0.343 0.000 1.133 85 L HN 0.454 nan 8.230 nan 0.000 0.453 86 V N 6.115 125.778 119.914 -0.418 0.000 2.334 86 V HA 0.465 4.585 4.120 -0.000 0.000 0.267 86 V C 0.810 176.769 176.094 -0.224 0.000 1.040 86 V CA -0.043 62.078 62.300 -0.298 0.000 0.866 86 V CB 0.058 31.655 31.823 -0.375 0.000 1.019 86 V HN 1.094 nan 8.190 nan 0.000 0.468 87 G N 4.863 113.566 108.800 -0.162 0.000 2.427 87 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.189 87 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.189 87 G C 0.805 175.647 174.900 -0.097 0.000 0.418 87 G CA 0.331 45.362 45.100 -0.116 0.000 0.950 87 G HN 1.116 nan 8.290 nan 0.000 0.372 88 S N 0.903 116.560 115.700 -0.071 0.000 2.436 88 S HA -0.046 4.424 4.470 -0.000 0.000 0.228 88 S C 1.616 176.190 174.600 -0.043 0.000 1.014 88 S CA 1.296 59.469 58.200 -0.045 0.000 0.950 88 S CB 0.112 63.297 63.200 -0.026 0.000 0.784 88 S HN 0.841 nan 8.310 nan 0.000 0.504 89 D N 0.732 121.103 120.400 -0.047 0.000 2.339 89 D HA 0.151 4.791 4.640 -0.000 0.000 0.217 89 D C 0.289 176.557 176.300 -0.053 0.000 1.050 89 D CA -0.200 53.773 54.000 -0.044 0.000 0.856 89 D CB -0.213 40.564 40.800 -0.038 0.000 0.922 89 D HN 0.465 nan 8.370 nan 0.000 0.518 90 L N 1.258 122.442 121.223 -0.066 0.000 2.366 90 L HA 0.552 4.892 4.340 -0.000 0.000 0.266 90 L C 0.440 177.256 176.870 -0.090 0.000 1.010 90 L CA -0.626 54.168 54.840 -0.077 0.000 0.879 90 L CB 1.056 43.066 42.059 -0.082 0.000 1.228 90 L HN 0.025 nan 8.230 nan 0.000 0.439 91 G N 4.754 113.499 108.800 -0.092 0.000 2.238 91 G HA2 -0.015 3.945 3.960 -0.000 0.000 0.234 91 G HA3 -0.015 3.945 3.960 -0.000 0.000 0.234 91 G C -1.482 173.335 174.900 -0.138 0.000 1.181 91 G CA -0.567 44.467 45.100 -0.110 0.000 0.871 91 G HN 0.643 nan 8.290 nan 0.000 0.490 92 P HA -0.225 nan 4.420 nan 0.000 0.223 92 P C 1.703 178.914 177.300 -0.150 0.000 1.140 92 P CA 1.565 64.655 63.100 -0.017 0.000 0.783 92 P CB 0.116 31.890 31.700 0.123 0.000 0.759 93 A N 0.643 123.196 122.820 -0.444 0.000 1.898 93 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 93 A C 2.080 179.505 177.584 -0.266 0.000 1.181 93 A CA 1.561 53.193 52.037 -0.676 0.000 0.620 93 A CB -0.879 17.508 19.000 -1.022 0.000 0.819 93 A HN 0.239 nan 8.150 nan 0.000 0.442 94 E N 0.165 120.258 120.200 -0.179 0.000 2.400 94 E HA -0.033 4.316 4.350 -0.000 0.000 0.195 94 E C 2.110 178.670 176.600 -0.066 0.000 1.012 94 E CA 0.648 56.995 56.400 -0.088 0.000 0.875 94 E CB -0.001 29.646 29.700 -0.090 0.000 0.859 94 E HN 0.736 nan 8.360 nan 0.000 0.498 95 S N 0.910 116.549 115.700 -0.101 0.000 2.359 95 S HA -0.269 4.201 4.470 -0.000 0.000 0.223 95 S C 1.756 176.188 174.600 -0.280 0.000 1.039 95 S CA 1.164 59.237 58.200 -0.212 0.000 1.042 95 S CB -0.848 62.167 63.200 -0.308 0.000 0.915 95 S HN 0.339 nan 8.310 nan 0.000 0.439 96 Y N 1.658 121.850 120.300 -0.181 0.000 2.632 96 Y HA 0.331 4.881 4.550 -0.000 0.000 0.301 96 Y C 1.596 177.330 175.900 -0.276 0.000 1.172 96 Y CA 0.253 58.127 58.100 -0.377 0.000 1.328 96 Y CB -0.320 37.576 38.460 -0.940 0.000 1.016 96 Y HN 0.240 nan 8.280 nan 0.000 0.529 97 L N -1.189 120.019 121.223 -0.026 0.000 2.858 97 L HA 0.124 4.464 4.340 -0.000 0.000 0.251 97 L C 0.503 177.331 176.870 -0.070 0.000 1.149 97 L CA -0.006 54.830 54.840 -0.006 0.000 0.955 97 L CB 0.190 42.300 42.059 0.086 0.000 1.289 97 L HN 0.066 nan 8.230 nan 0.000 0.542 98 N N 1.471 120.113 118.700 -0.097 0.000 2.448 98 N HA 0.145 4.885 4.740 -0.000 0.000 0.250 98 N C 1.087 176.544 175.510 -0.087 0.000 1.136 98 N CA -0.197 52.805 53.050 -0.080 0.000 0.953 98 N CB 0.700 39.139 38.487 -0.080 0.000 1.251 98 N HN 0.182 nan 8.380 nan 0.000 0.502 99 I N 2.505 123.042 120.570 -0.054 0.000 2.151 99 I HA -0.291 3.879 4.170 -0.000 0.000 0.243 99 I C 1.995 178.173 176.117 0.102 0.000 1.080 99 I CA 1.090 62.403 61.300 0.020 0.000 1.339 99 I CB -0.057 38.022 38.000 0.131 0.000 1.039 99 I HN 0.554 nan 8.210 nan 0.000 0.409 100 E N 0.399 120.632 120.200 0.054 0.000 2.107 100 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 100 E C 2.225 178.838 176.600 0.023 0.000 0.982 100 E CA 0.919 57.347 56.400 0.047 0.000 0.809 100 E CB -0.281 29.433 29.700 0.022 0.000 0.756 100 E HN 0.333 nan 8.360 nan 0.000 0.459 101 R N 0.728 121.222 120.500 -0.011 0.000 2.119 101 R HA 0.081 4.421 4.340 -0.000 0.000 0.222 101 R C 2.256 178.534 176.300 -0.035 0.000 1.088 101 R CA 0.482 56.558 56.100 -0.040 0.000 0.984 101 R CB -0.255 30.000 30.300 -0.074 0.000 0.884 101 R HN 0.129 nan 8.270 nan 0.000 0.447 102 I N -0.401 120.165 120.570 -0.007 0.000 2.252 102 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 102 I C 1.813 177.991 176.117 0.101 0.000 1.102 102 I CA 1.139 62.460 61.300 0.035 0.000 1.385 102 I CB -0.173 37.852 38.000 0.041 0.000 1.064 102 I HN 0.095 nan 8.210 nan 0.000 0.414 103 I N 0.542 121.196 120.570 0.141 0.000 2.493 103 I HA -0.253 3.917 4.170 -0.000 0.000 0.254 103 I C 1.977 178.116 176.117 0.037 0.000 1.160 103 I CA 1.134 62.504 61.300 0.116 0.000 1.445 103 I CB -0.345 37.736 38.000 0.134 0.000 1.086 103 I HN 0.227 nan 8.210 nan 0.000 0.433 104 D N 0.287 120.691 120.400 0.005 0.000 2.117 104 D HA -0.116 4.524 4.640 -0.000 0.000 0.198 104 D C 2.396 178.647 176.300 -0.082 0.000 0.982 104 D CA 1.181 55.158 54.000 -0.039 0.000 0.828 104 D CB -0.009 40.760 40.800 -0.051 0.000 0.967 104 D HN 0.128 nan 8.370 nan 0.000 0.464 105 V N 1.649 121.509 119.914 -0.091 0.000 2.343 105 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 105 V C 2.584 178.621 176.094 -0.094 0.000 1.051 105 V CA 1.739 63.944 62.300 -0.158 0.000 1.036 105 V CB -0.753 31.008 31.823 -0.102 0.000 0.654 105 V HN 0.154 nan 8.190 nan 0.000 0.451 106 A N -0.267 122.550 122.820 -0.006 0.000 1.883 106 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 106 A C 2.314 179.898 177.584 0.001 0.000 1.186 106 A CA 2.221 54.276 52.037 0.030 0.000 0.624 106 A CB -0.472 18.568 19.000 0.066 0.000 0.822 106 A HN 0.535 nan 8.150 nan 0.000 0.444 107 K N -0.992 119.398 120.400 -0.017 0.000 2.002 107 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 107 K C 2.242 178.815 176.600 -0.044 0.000 1.048 107 K CA 1.522 57.795 56.287 -0.024 0.000 0.930 107 K CB -0.178 32.307 32.500 -0.025 0.000 0.714 107 K HN 0.533 nan 8.250 nan 0.000 0.438 108 Q N -0.481 119.267 119.800 -0.087 0.000 2.515 108 Q HA -0.010 4.330 4.340 -0.000 0.000 0.212 108 Q C 0.839 176.772 176.000 -0.112 0.000 0.970 108 Q CA 0.382 56.118 55.803 -0.113 0.000 0.941 108 Q CB 0.339 28.976 28.738 -0.169 0.000 0.998 108 Q HN 0.278 nan 8.270 nan 0.000 0.518 109 A N -0.345 122.431 122.820 -0.073 0.000 2.431 109 A HA 0.149 4.469 4.320 -0.000 0.000 0.239 109 A C 0.172 177.777 177.584 0.035 0.000 1.230 109 A CA -0.089 51.955 52.037 0.012 0.000 0.928 109 A CB 0.174 19.230 19.000 0.095 0.000 1.006 109 A HN 0.557 nan 8.150 nan 0.000 0.520 110 N N -0.831 117.876 118.700 0.013 0.000 2.756 110 N HA -0.126 4.614 4.740 -0.000 0.000 0.248 110 N C -0.723 174.805 175.510 0.030 0.000 1.062 110 N CA 0.609 53.670 53.050 0.018 0.000 0.696 110 N CB -1.152 37.346 38.487 0.018 0.000 0.946 110 N HN 0.197 nan 8.380 nan 0.000 0.548 111 V N 0.881 120.816 119.914 0.035 0.000 2.461 111 V HA 0.161 4.281 4.120 -0.000 0.000 0.275 111 V C 1.082 177.197 176.094 0.036 0.000 1.047 111 V CA 0.332 62.661 62.300 0.048 0.000 0.955 111 V CB 1.520 33.384 31.823 0.068 0.000 0.988 111 V HN 0.433 nan 8.190 nan 0.000 0.471 112 D N 2.667 123.088 120.400 0.035 0.000 2.407 112 D HA 0.442 5.082 4.640 -0.000 0.000 0.208 112 D C 0.310 176.624 176.300 0.023 0.000 1.083 112 D CA 0.422 54.437 54.000 0.025 0.000 0.844 112 D CB 0.644 41.457 40.800 0.021 0.000 0.967 112 D HN 0.640 nan 8.370 nan 0.000 0.506 113 A N 0.314 123.154 122.820 0.033 0.000 2.488 113 A HA 0.659 4.979 4.320 -0.000 0.000 0.298 113 A C -1.483 176.126 177.584 0.042 0.000 1.044 113 A CA -0.759 51.293 52.037 0.024 0.000 0.693 113 A CB 1.219 20.232 19.000 0.022 0.000 1.272 113 A HN 0.177 nan 8.150 nan 0.000 0.402 114 I N 2.832 123.408 120.570 0.011 0.000 2.418 114 I HA 0.279 4.449 4.170 -0.000 0.000 0.287 114 I C -0.646 175.454 176.117 -0.028 0.000 1.008 114 I CA -0.559 60.771 61.300 0.050 0.000 1.104 114 I CB 1.773 39.831 38.000 0.097 0.000 1.264 114 I HN 0.740 nan 8.210 nan 0.000 0.438 115 H N 8.775 127.814 119.070 -0.051 0.000 2.652 115 H HA 0.296 4.852 4.556 -0.000 0.000 0.298 115 H C -1.951 173.325 175.328 -0.087 0.000 1.076 115 H CA -2.226 53.746 56.048 -0.128 0.000 1.360 115 H CB 1.885 31.581 29.762 -0.111 0.000 1.421 115 H HN 0.335 nan 8.280 nan 0.000 0.464 116 P HA 0.017 nan 4.420 nan 0.000 0.225 116 P C 0.882 178.295 177.300 0.188 0.000 1.156 116 P CA 1.342 64.551 63.100 0.181 0.000 0.787 116 P CB 0.795 32.554 31.700 0.099 0.000 0.802 117 G N 0.701 109.681 108.800 0.299 0.000 2.536 117 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.280 117 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.280 117 G C -0.753 174.168 174.900 0.036 0.000 1.152 117 G CA 0.378 45.433 45.100 -0.074 0.000 0.970 117 G HN 0.453 nan 8.290 nan 0.000 0.549 118 Y N -1.662 118.693 120.300 0.092 0.000 2.492 118 Y HA 0.605 5.155 4.550 -0.000 0.000 0.346 118 Y C 0.671 176.588 175.900 0.028 0.000 0.997 118 Y CA -1.419 56.725 58.100 0.073 0.000 1.025 118 Y CB 1.354 39.837 38.460 0.040 0.000 1.263 118 Y HN 2.483 nan 8.280 nan 0.000 0.454 119 G N 1.435 110.383 108.800 0.248 0.000 2.350 119 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.298 119 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.298 119 G C -0.775 174.036 174.900 -0.148 0.000 1.037 119 G CA 1.051 46.187 45.100 0.059 0.000 1.074 119 G HN 0.701 nan 8.290 nan 0.000 0.511 120 F N -1.529 118.493 119.950 0.119 0.000 1.881 120 F HA 0.387 4.914 4.527 -0.000 0.000 0.233 120 F C 1.836 177.677 175.800 0.068 0.000 1.186 120 F CA 0.520 58.567 58.000 0.079 0.000 1.298 120 F CB -0.003 39.027 39.000 0.049 0.000 1.756 120 F HN 0.089 nan 8.300 nan 0.000 0.431 121 L N 0.084 121.489 121.223 0.303 0.000 3.069 121 L HA 0.186 4.526 4.340 -0.000 0.000 0.271 121 L C 1.711 178.832 176.870 0.420 0.000 1.201 121 L CA 0.418 55.390 54.840 0.220 0.000 1.015 121 L CB 0.216 42.196 42.059 -0.132 0.000 1.371 121 L HN 0.187 nan 8.230 nan 0.000 0.574 122 S N -0.637 115.294 115.700 0.385 0.000 2.399 122 S HA -0.167 4.303 4.470 -0.000 0.000 0.231 122 S C 1.438 176.321 174.600 0.471 0.000 1.022 122 S CA 1.166 59.625 58.200 0.433 0.000 0.983 122 S CB -0.067 63.315 63.200 0.302 0.000 0.803 122 S HN 0.512 nan 8.310 nan 0.000 0.480 123 E N 0.935 121.332 120.200 0.328 0.000 2.481 123 E HA 0.202 4.552 4.350 -0.000 0.000 0.198 123 E C -0.015 176.703 176.600 0.197 0.000 1.027 123 E CA -0.342 56.213 56.400 0.258 0.000 0.900 123 E CB 0.144 29.961 29.700 0.196 0.000 0.993 123 E HN 0.474 nan 8.360 nan 0.000 0.482 124 N N 1.864 120.697 118.700 0.222 0.000 2.402 124 N HA -0.040 4.700 4.740 -0.000 0.000 0.259 124 N C 0.375 175.931 175.510 0.076 0.000 1.167 124 N CA 0.152 53.299 53.050 0.161 0.000 0.949 124 N CB 0.628 39.234 38.487 0.197 0.000 1.212 124 N HN 0.181 nan 8.380 nan 0.000 0.493 125 E N 1.960 122.177 120.200 0.029 0.000 2.086 125 E HA -0.264 4.086 4.350 -0.000 0.000 0.200 125 E C 1.427 177.999 176.600 -0.046 0.000 1.012 125 E CA 1.473 57.850 56.400 -0.038 0.000 0.812 125 E CB 0.191 29.885 29.700 -0.010 0.000 0.743 125 E HN 0.651 nan 8.360 nan 0.000 0.453 126 Q N -0.314 119.502 119.800 0.025 0.000 2.124 126 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 126 Q C 2.101 178.155 176.000 0.090 0.000 0.977 126 Q CA 0.924 56.754 55.803 0.044 0.000 0.850 126 Q CB -0.388 28.389 28.738 0.066 0.000 0.901 126 Q HN 0.297 nan 8.270 nan 0.000 0.429 127 F N 1.440 121.372 119.950 -0.030 0.000 2.134 127 F HA -0.156 4.371 4.527 -0.000 0.000 0.299 127 F C 2.177 177.958 175.800 -0.031 0.000 1.097 127 F CA 1.199 59.209 58.000 0.016 0.000 1.264 127 F CB -0.531 38.534 39.000 0.108 0.000 1.001 127 F HN 0.034 nan 8.300 nan 0.000 0.479 128 A N 0.616 123.217 122.820 -0.366 0.000 1.877 128 A HA -0.211 4.109 4.320 -0.000 0.000 0.216 128 A C 2.432 179.839 177.584 -0.295 0.000 1.186 128 A CA 1.745 53.398 52.037 -0.640 0.000 0.620 128 A CB -0.910 17.430 19.000 -1.100 0.000 0.822 128 A HN 0.467 nan 8.150 nan 0.000 0.443 129 R N -0.900 119.485 120.500 -0.191 0.000 2.083 129 R HA -0.159 4.180 4.340 -0.000 0.000 0.237 129 R C 2.164 178.414 176.300 -0.083 0.000 1.137 129 R CA 1.603 57.639 56.100 -0.108 0.000 0.951 129 R CB -0.239 30.021 30.300 -0.067 0.000 0.851 129 R HN 0.296 nan 8.270 nan 0.000 0.434 130 R N 0.116 120.577 120.500 -0.064 0.000 2.189 130 R HA -0.058 4.282 4.340 -0.000 0.000 0.223 130 R C 2.264 178.523 176.300 -0.069 0.000 1.092 130 R CA 0.958 57.039 56.100 -0.031 0.000 0.989 130 R CB -0.891 29.436 30.300 0.045 0.000 0.876 130 R HN 0.391 nan 8.270 nan 0.000 0.457 131 C N 0.088 119.293 119.300 -0.159 0.000 2.462 131 C HA 0.005 4.465 4.460 -0.000 0.000 0.278 131 C C 2.819 177.763 174.990 -0.075 0.000 1.253 131 C CA 0.895 59.818 59.018 -0.157 0.000 1.713 131 C CB -0.950 26.644 27.740 -0.244 0.000 2.049 131 C HN 0.528 nan 8.230 nan 0.000 0.477 132 A N 0.121 122.902 122.820 -0.066 0.000 2.070 132 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 132 A C 1.806 179.368 177.584 -0.037 0.000 1.159 132 A CA 1.295 53.307 52.037 -0.041 0.000 0.656 132 A CB -0.564 18.410 19.000 -0.043 0.000 0.800 132 A HN 0.757 nan 8.150 nan 0.000 0.453 133 E N -0.385 119.791 120.200 -0.040 0.000 2.512 133 E HA -0.026 4.324 4.350 -0.000 0.000 0.195 133 E C 0.288 176.876 176.600 -0.021 0.000 1.083 133 E CA 0.200 56.583 56.400 -0.028 0.000 0.873 133 E CB 0.170 29.855 29.700 -0.025 0.000 0.897 133 E HN 0.502 nan 8.360 nan 0.000 0.514 134 E N -0.780 119.407 120.200 -0.022 0.000 2.759 134 E HA 0.104 4.454 4.350 -0.000 0.000 0.220 134 E C 0.759 177.352 176.600 -0.011 0.000 0.974 134 E CA 0.153 56.545 56.400 -0.014 0.000 1.148 134 E CB 1.348 31.042 29.700 -0.010 0.000 1.059 134 E HN 0.283 nan 8.360 nan 0.000 0.493 135 G N 1.982 110.774 108.800 -0.013 0.000 2.153 135 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.252 135 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.252 135 G C 0.331 175.229 174.900 -0.004 0.000 0.994 135 G CA 0.485 45.581 45.100 -0.008 0.000 0.698 135 G HN 0.266 nan 8.290 nan 0.000 0.521 136 I N -0.160 120.404 120.570 -0.010 0.000 2.437 136 I HA 0.433 4.603 4.170 -0.000 0.000 0.298 136 I C 0.470 176.584 176.117 -0.005 0.000 0.984 136 I CA -0.794 60.501 61.300 -0.008 0.000 1.214 136 I CB 1.758 39.747 38.000 -0.019 0.000 1.365 136 I HN 0.011 nan 8.210 nan 0.000 0.469 137 K N 5.969 126.373 120.400 0.007 0.000 2.263 137 K HA 0.308 4.628 4.320 -0.000 0.000 0.272 137 K C -0.756 175.860 176.600 0.026 0.000 1.033 137 K CA -0.558 55.745 56.287 0.027 0.000 0.884 137 K CB 0.697 33.212 32.500 0.024 0.000 1.107 137 K HN 0.397 nan 8.250 nan 0.000 0.460 138 F N 5.787 125.676 119.950 -0.102 0.000 2.543 138 F HA 0.157 4.684 4.527 -0.000 0.000 0.375 138 F C -0.018 175.726 175.800 -0.093 0.000 1.075 138 F CA -0.066 57.861 58.000 -0.121 0.000 1.225 138 F CB 0.354 39.279 39.000 -0.124 0.000 1.099 138 F HN 0.446 nan 8.300 nan 0.000 0.561 139 I N 7.350 127.538 120.570 -0.637 0.000 2.260 139 I HA 0.412 4.582 4.170 -0.000 0.000 0.297 139 I C 0.592 176.319 176.117 -0.650 0.000 1.143 139 I CA 0.306 61.273 61.300 -0.555 0.000 1.271 139 I CB -0.694 36.950 38.000 -0.594 0.000 1.461 139 I HN 0.818 nan 8.210 nan 0.000 0.530 140 G N 7.194 115.839 108.800 -0.257 0.000 2.333 140 G HA2 0.182 4.142 3.960 -0.000 0.000 0.288 140 G HA3 0.182 4.142 3.960 -0.000 0.000 0.288 140 G C -3.216 171.685 174.900 0.001 0.000 1.286 140 G CA -0.728 44.333 45.100 -0.065 0.000 0.865 140 G HN 0.192 nan 8.290 nan 0.000 0.506 141 P HA 0.197 nan 4.420 nan 0.000 0.272 141 P C -0.429 176.877 177.300 0.011 0.000 1.254 141 P CA -0.011 62.891 63.100 -0.331 0.000 0.795 141 P CB 0.288 31.774 31.700 -0.356 0.000 1.022 142 H N -0.611 118.568 119.070 0.180 0.000 2.581 142 H HA 0.093 4.649 4.556 -0.000 0.000 0.369 142 H C 1.625 177.013 175.328 0.102 0.000 1.351 142 H CA -0.428 55.723 56.048 0.171 0.000 1.434 142 H CB -0.222 29.646 29.762 0.177 0.000 1.558 142 H HN 0.181 nan 8.280 nan 0.000 0.608 143 L N 0.767 122.064 121.223 0.124 0.000 1.990 143 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 143 L C 2.331 179.188 176.870 -0.023 0.000 1.072 143 L CA 1.922 56.756 54.840 -0.010 0.000 0.755 143 L CB -0.695 41.331 42.059 -0.054 0.000 0.889 143 L HN 0.725 nan 8.230 nan 0.000 0.432 144 E N -1.631 118.521 120.200 -0.080 0.000 2.511 144 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 144 E C 1.461 177.928 176.600 -0.221 0.000 1.066 144 E CA 0.682 56.987 56.400 -0.158 0.000 0.871 144 E CB -0.361 29.224 29.700 -0.192 0.000 0.863 144 E HN 0.602 nan 8.360 nan 0.000 0.520 145 H N 0.796 119.883 119.070 0.027 0.000 2.370 145 H HA 0.169 4.725 4.556 -0.000 0.000 0.304 145 H C 2.283 177.705 175.328 0.157 0.000 1.055 145 H CA 0.748 56.859 56.048 0.104 0.000 1.373 145 H CB 0.156 30.053 29.762 0.225 0.000 1.423 145 H HN 0.159 nan 8.280 nan 0.000 0.533 146 L N 0.593 121.967 121.223 0.252 0.000 2.083 146 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 146 L C 2.315 179.247 176.870 0.102 0.000 1.083 146 L CA 1.375 56.330 54.840 0.190 0.000 0.752 146 L CB -0.244 41.865 42.059 0.084 0.000 0.899 146 L HN 0.186 nan 8.230 nan 0.000 0.433 147 D N 0.049 120.462 120.400 0.021 0.000 2.097 147 D HA -0.242 4.398 4.640 -0.000 0.000 0.197 147 D C 2.322 178.580 176.300 -0.070 0.000 0.984 147 D CA 1.263 55.248 54.000 -0.025 0.000 0.826 147 D CB 0.029 40.795 40.800 -0.057 0.000 0.973 147 D HN 0.098 nan 8.370 nan 0.000 0.460 148 M N -1.032 118.459 119.600 -0.182 0.000 2.073 148 M HA -0.192 4.288 4.480 -0.000 0.000 0.258 148 M C 1.009 177.076 176.300 -0.388 0.000 1.070 148 M CA 1.742 56.789 55.300 -0.422 0.000 1.103 148 M CB -0.145 31.977 32.600 -0.797 0.000 1.321 148 M HN 0.083 nan 8.290 nan 0.000 0.405 149 F N -1.722 118.302 119.950 0.123 0.000 2.664 149 F HA 0.285 4.812 4.527 -0.000 0.000 0.303 149 F C 1.924 177.787 175.800 0.105 0.000 1.092 149 F CA -0.039 58.039 58.000 0.130 0.000 1.305 149 F CB -0.381 38.713 39.000 0.156 0.000 1.054 149 F HN 0.192 nan 8.300 nan 0.000 0.565 150 G N -0.501 108.418 108.800 0.197 0.000 2.394 150 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.214 150 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.214 150 G C 0.135 175.102 174.900 0.111 0.000 1.176 150 G CA 0.333 45.519 45.100 0.144 0.000 0.786 150 G HN 0.199 nan 8.290 nan 0.000 0.533 151 D N -0.773 119.680 120.400 0.088 0.000 2.255 151 D HA 0.297 4.937 4.640 -0.000 0.000 0.249 151 D C 1.328 177.686 176.300 0.097 0.000 1.078 151 D CA -0.300 53.743 54.000 0.072 0.000 0.896 151 D CB 1.295 42.121 40.800 0.044 0.000 1.194 151 D HN 0.030 nan 8.370 nan 0.000 0.429 152 K N 1.526 121.977 120.400 0.085 0.000 2.228 152 K HA -0.003 4.317 4.320 -0.000 0.000 0.202 152 K C 1.648 178.308 176.600 0.100 0.000 1.051 152 K CA 0.478 56.824 56.287 0.098 0.000 0.960 152 K CB 0.268 32.811 32.500 0.072 0.000 0.743 152 K HN 0.261 nan 8.250 nan 0.000 0.458 153 V N 1.048 121.005 119.914 0.073 0.000 2.446 153 V HA -0.146 3.974 4.120 -0.000 0.000 0.244 153 V C 2.137 178.264 176.094 0.055 0.000 1.039 153 V CA 1.388 63.725 62.300 0.061 0.000 1.045 153 V CB -0.236 31.611 31.823 0.040 0.000 0.681 153 V HN 0.144 nan 8.190 nan 0.000 0.459 154 K N 1.202 121.627 120.400 0.043 0.000 2.097 154 K HA -0.030 4.290 4.320 -0.000 0.000 0.205 154 K C 2.058 178.664 176.600 0.010 0.000 1.050 154 K CA 1.586 57.878 56.287 0.007 0.000 0.938 154 K CB -0.577 31.912 32.500 -0.019 0.000 0.718 154 K HN 0.390 nan 8.250 nan 0.000 0.442 155 A N 0.683 123.562 122.820 0.098 0.000 1.872 155 A HA -0.101 4.219 4.320 -0.000 0.000 0.214 155 A C 2.185 179.896 177.584 0.213 0.000 1.187 155 A CA 1.197 53.370 52.037 0.227 0.000 0.614 155 A CB -0.517 18.774 19.000 0.484 0.000 0.826 155 A HN 0.189 nan 8.150 nan 0.000 0.442 156 R N -0.200 120.431 120.500 0.218 0.000 2.105 156 R HA -0.114 4.226 4.340 -0.000 0.000 0.239 156 R C 2.066 178.407 176.300 0.068 0.000 1.135 156 R CA 2.047 58.260 56.100 0.187 0.000 0.967 156 R CB -1.021 29.382 30.300 0.171 0.000 0.861 156 R HN 0.560 nan 8.270 nan 0.000 0.442 157 T N -0.036 114.542 114.554 0.040 0.000 2.746 157 T HA -0.092 4.257 4.350 -0.000 0.000 0.267 157 T C 1.686 176.366 174.700 -0.033 0.000 1.039 157 T CA 2.006 64.107 62.100 0.002 0.000 1.142 157 T CB -0.251 68.613 68.868 -0.006 0.000 0.866 157 T HN 0.354 nan 8.240 nan 0.000 0.444 158 T N 1.806 116.327 114.554 -0.054 0.000 2.904 158 T HA 0.109 4.459 4.350 -0.000 0.000 0.267 158 T C 2.369 176.996 174.700 -0.123 0.000 1.059 158 T CA 0.920 62.969 62.100 -0.086 0.000 1.137 158 T CB -0.369 68.425 68.868 -0.124 0.000 0.879 158 T HN 0.414 nan 8.240 nan 0.000 0.467 159 A N 0.829 123.521 122.820 -0.214 0.000 2.014 159 A HA 0.137 4.457 4.320 -0.000 0.000 0.218 159 A C 2.184 179.651 177.584 -0.196 0.000 1.163 159 A CA 0.705 52.504 52.037 -0.398 0.000 0.652 159 A CB -0.608 17.848 19.000 -0.906 0.000 0.808 159 A HN 0.506 nan 8.150 nan 0.000 0.449 160 I N -0.693 119.821 120.570 -0.094 0.000 2.233 160 I HA -0.179 3.991 4.170 -0.000 0.000 0.243 160 I C 2.330 178.422 176.117 -0.042 0.000 1.093 160 I CA 1.593 62.871 61.300 -0.037 0.000 1.380 160 I CB -0.131 37.868 38.000 -0.002 0.000 1.067 160 I HN 0.211 nan 8.210 nan 0.000 0.413 161 K N 1.854 122.226 120.400 -0.047 0.000 2.362 161 K HA -0.101 4.219 4.320 -0.000 0.000 0.202 161 K C 0.779 177.351 176.600 -0.047 0.000 1.045 161 K CA 1.343 57.606 56.287 -0.041 0.000 0.936 161 K CB -0.042 32.434 32.500 -0.041 0.000 0.747 161 K HN 0.329 nan 8.250 nan 0.000 0.467 162 A N 1.593 124.370 122.820 -0.071 0.000 3.105 162 A HA 0.178 4.498 4.320 -0.000 0.000 0.297 162 A C -0.854 176.675 177.584 -0.092 0.000 0.977 162 A CA 0.001 51.992 52.037 -0.077 0.000 1.020 162 A CB -0.374 18.576 19.000 -0.084 0.000 1.098 162 A HN 0.520 nan 8.150 nan 0.000 0.497 163 D N 0.192 120.554 120.400 -0.065 0.000 2.704 163 D HA -0.205 4.435 4.640 -0.000 0.000 0.232 163 D C -0.811 175.448 176.300 -0.067 0.000 1.183 163 D CA 1.023 54.991 54.000 -0.054 0.000 0.647 163 D CB -1.688 39.078 40.800 -0.055 0.000 1.013 163 D HN 0.462 nan 8.370 nan 0.000 0.415 164 L N -0.235 120.963 121.223 -0.042 0.000 2.438 164 L HA 0.508 4.848 4.340 -0.000 0.000 0.270 164 L C -2.163 174.779 176.870 0.120 0.000 0.972 164 L CA -1.905 52.945 54.840 0.016 0.000 0.831 164 L CB 2.312 44.365 42.059 -0.010 0.000 1.273 164 L HN -0.116 nan 8.230 nan 0.000 0.405 165 P HA 0.374 nan 4.420 nan 0.000 0.279 165 P C -0.237 177.351 177.300 0.480 0.000 1.252 165 P CA -0.393 62.843 63.100 0.227 0.000 0.811 165 P CB 2.771 34.493 31.700 0.037 0.000 1.035 166 V N 0.711 120.911 119.914 0.477 0.000 3.629 166 V HA 0.107 4.227 4.120 -0.000 0.000 0.194 166 V C 1.324 177.557 176.094 0.230 0.000 1.343 166 V CA -0.047 62.499 62.300 0.410 0.000 1.292 166 V CB -0.810 31.177 31.823 0.273 0.000 1.287 166 V HN 0.374 nan 8.190 nan 0.000 0.554 167 I N 3.805 124.481 120.570 0.177 0.000 3.017 167 I HA -0.035 4.135 4.170 -0.000 0.000 0.310 167 I C -1.038 175.093 176.117 0.024 0.000 1.220 167 I CA -0.538 60.815 61.300 0.089 0.000 1.450 167 I CB 0.109 38.165 38.000 0.093 0.000 1.317 167 I HN 0.359 nan 8.210 nan 0.000 0.570 240 D N 3.854 124.233 120.400 -0.035 0.000 2.312 240 D HA 0.264 4.904 4.640 -0.000 0.000 0.248 240 D C 0.852 177.154 176.300 0.003 0.000 1.086 240 D CA 0.643 54.637 54.000 -0.011 0.000 0.948 240 D CB 0.945 41.740 40.800 -0.007 0.000 1.162 240 D HN 0.497 nan 8.370 nan 0.000 0.446 241 N N 0.871 119.582 118.700 0.017 0.000 2.738 241 N HA -0.111 4.629 4.740 -0.000 0.000 0.249 241 N C -2.407 173.123 175.510 0.033 0.000 1.047 241 N CA 0.081 53.149 53.050 0.031 0.000 0.707 241 N CB -0.435 38.066 38.487 0.024 0.000 0.937 241 N HN 0.349 nan 8.380 nan 0.000 0.545 242 P HA 0.268 nan 4.420 nan 0.000 0.279 242 P C -0.497 176.844 177.300 0.068 0.000 1.252 242 P CA 0.029 63.158 63.100 0.048 0.000 0.811 242 P CB 1.141 32.868 31.700 0.045 0.000 1.035 243 K N 0.807 121.249 120.400 0.071 0.000 2.482 243 K HA 0.349 4.669 4.320 -0.000 0.000 0.251 243 K C -1.374 175.298 176.600 0.120 0.000 0.936 243 K CA -0.690 55.638 56.287 0.068 0.000 0.791 243 K CB 1.048 33.537 32.500 -0.019 0.000 1.213 243 K HN 0.457 nan 8.250 nan 0.000 0.428 244 H N 4.639 123.742 119.070 0.054 0.000 2.652 244 H HA 0.392 4.948 4.556 -0.000 0.000 0.298 244 H C -0.767 174.604 175.328 0.070 0.000 1.076 244 H CA -0.250 55.840 56.048 0.070 0.000 1.360 244 H CB 0.453 30.258 29.762 0.072 0.000 1.421 244 H HN 0.364 nan 8.280 nan 0.000 0.464 245 I N 4.835 125.314 120.570 -0.152 0.000 2.582 245 I HA 0.248 4.418 4.170 -0.000 0.000 0.292 245 I C -0.457 175.626 176.117 -0.056 0.000 1.066 245 I CA -0.812 60.457 61.300 -0.052 0.000 1.053 245 I CB 1.903 39.894 38.000 -0.015 0.000 1.241 245 I HN 0.739 nan 8.210 nan 0.000 0.421 246 E N 5.018 125.225 120.200 0.012 0.000 2.317 246 E HA 0.728 5.078 4.350 -0.000 0.000 0.270 246 E C -1.735 174.917 176.600 0.087 0.000 0.885 246 E CA -0.846 55.586 56.400 0.053 0.000 0.760 246 E CB 2.687 32.383 29.700 -0.007 0.000 1.227 246 E HN 0.203 nan 8.360 nan 0.000 0.434 247 V N 1.801 121.782 119.914 0.112 0.000 2.398 247 V HA 0.217 4.337 4.120 -0.000 0.000 0.286 247 V C -0.155 175.967 176.094 0.048 0.000 1.026 247 V CA -0.848 61.497 62.300 0.075 0.000 0.868 247 V CB 1.195 33.057 31.823 0.066 0.000 0.982 247 V HN 0.726 nan 8.190 nan 0.000 0.443 248 Q N 3.332 123.171 119.800 0.066 0.000 2.314 248 Q HA 0.566 4.906 4.340 -0.000 0.000 0.258 248 Q C -1.037 174.999 176.000 0.059 0.000 0.954 248 Q CA 0.219 56.060 55.803 0.064 0.000 0.890 248 Q CB 1.565 30.361 28.738 0.097 0.000 1.210 248 Q HN 0.590 nan 8.270 nan 0.000 0.410 249 V N 5.317 125.249 119.914 0.030 0.000 2.760 249 V HA 0.518 4.638 4.120 -0.000 0.000 0.309 249 V C -1.043 175.087 176.094 0.061 0.000 1.077 249 V CA -0.793 61.526 62.300 0.032 0.000 0.910 249 V CB 2.200 34.005 31.823 -0.029 0.000 1.008 249 V HN 0.714 nan 8.190 nan 0.000 0.424 250 I N 3.704 124.313 120.570 0.065 0.000 2.447 250 I HA 0.625 4.795 4.170 -0.000 0.000 0.287 250 I C 0.447 176.607 176.117 0.072 0.000 1.023 250 I CA -0.157 61.188 61.300 0.075 0.000 1.083 250 I CB 1.481 39.506 38.000 0.042 0.000 1.245 250 I HN 0.703 nan 8.210 nan 0.000 0.434 251 G N 4.800 113.661 108.800 0.101 0.000 2.432 251 G HA2 0.648 4.608 3.960 -0.000 0.000 0.331 251 G HA3 0.648 4.608 3.960 -0.000 0.000 0.331 251 G C -0.892 174.004 174.900 -0.006 0.000 1.170 251 G CA -0.319 44.818 45.100 0.062 0.000 0.943 251 G HN 0.632 nan 8.290 nan 0.000 0.483 252 D N -1.143 119.255 120.400 -0.003 0.000 2.569 252 D HA 0.216 4.856 4.640 -0.000 0.000 0.266 252 D C 0.695 177.012 176.300 0.027 0.000 1.164 252 D CA -0.743 53.249 54.000 -0.015 0.000 1.071 252 D CB 1.172 41.949 40.800 -0.038 0.000 1.183 252 D HN 0.402 nan 8.370 nan 0.000 0.613 253 E N -1.500 118.760 120.200 0.099 0.000 2.427 253 E HA -0.109 4.240 4.350 -0.000 0.000 0.196 253 E C 0.330 177.089 176.600 0.266 0.000 1.028 253 E CA 0.631 57.145 56.400 0.191 0.000 0.864 253 E CB -0.184 29.661 29.700 0.241 0.000 0.813 253 E HN 0.411 nan 8.360 nan 0.000 0.514 254 H N -0.356 118.727 119.070 0.023 0.000 2.567 254 H HA 0.204 4.760 4.556 -0.000 0.000 0.294 254 H C 1.134 176.476 175.328 0.024 0.000 1.050 254 H CA 0.251 56.313 56.048 0.024 0.000 1.168 254 H CB 0.228 30.000 29.762 0.016 0.000 1.422 254 H HN 0.270 nan 8.280 nan 0.000 0.562 255 G N 0.553 109.429 108.800 0.128 0.000 2.155 255 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.257 255 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.257 255 G C -0.074 174.870 174.900 0.074 0.000 0.983 255 G CA 0.127 45.279 45.100 0.086 0.000 0.676 255 G HN 0.481 nan 8.290 nan 0.000 0.528 256 N N -0.304 118.440 118.700 0.075 0.000 2.426 256 N HA 0.671 5.411 4.740 -0.000 0.000 0.275 256 N C -0.368 175.165 175.510 0.039 0.000 1.019 256 N CA -0.332 52.747 53.050 0.047 0.000 0.941 256 N CB 1.291 39.799 38.487 0.035 0.000 1.123 256 N HN 0.255 nan 8.380 nan 0.000 0.486 257 I N 2.271 122.862 120.570 0.033 0.000 2.499 257 I HA 0.370 4.540 4.170 -0.000 0.000 0.288 257 I C -0.534 175.589 176.117 0.009 0.000 1.048 257 I CA -1.002 60.321 61.300 0.038 0.000 1.062 257 I CB 1.619 39.658 38.000 0.065 0.000 1.238 257 I HN 0.206 nan 8.210 nan 0.000 0.426 258 V N 2.058 121.968 119.914 -0.007 0.000 2.960 258 V HA 0.714 4.834 4.120 -0.000 0.000 0.315 258 V C -0.853 175.216 176.094 -0.040 0.000 1.087 258 V CA -0.643 61.614 62.300 -0.070 0.000 0.982 258 V CB 1.739 33.500 31.823 -0.103 0.000 1.039 258 V HN 0.859 nan 8.190 nan 0.000 0.437 259 H N 1.417 120.429 119.070 -0.096 0.000 2.529 259 H HA 0.745 5.301 4.556 -0.000 0.000 0.348 259 H C -0.713 174.538 175.328 -0.127 0.000 1.152 259 H CA -1.425 54.549 56.048 -0.124 0.000 1.202 259 H CB 1.701 31.348 29.762 -0.191 0.000 1.562 259 H HN 0.606 nan 8.280 nan 0.000 0.515 260 L N 3.752 125.051 121.223 0.127 0.000 3.096 260 L HA 0.268 4.608 4.340 -0.000 0.000 0.247 260 L C -0.692 176.408 176.870 0.385 0.000 1.321 260 L CA -0.344 54.621 54.840 0.208 0.000 1.044 260 L CB -0.982 41.168 42.059 0.152 0.000 1.434 260 L HN 0.603 nan 8.230 nan 0.000 0.533 261 F N 0.111 120.245 119.950 0.307 0.000 2.180 261 F HA -0.322 4.205 4.527 -0.000 0.000 0.317 261 F C 0.943 176.769 175.800 0.043 0.000 0.129 261 F CA 1.019 59.097 58.000 0.131 0.000 0.910 261 F CB -0.401 38.647 39.000 0.080 0.000 4.124 261 F HN 0.416 nan 8.300 nan 0.000 0.145 262 E N 1.960 122.306 120.200 0.244 0.000 2.263 262 E HA 0.648 4.997 4.350 -0.000 0.000 0.264 262 E C -1.227 175.434 176.600 0.102 0.000 0.923 262 E CA -0.979 55.491 56.400 0.117 0.000 0.802 262 E CB 1.939 31.673 29.700 0.058 0.000 1.228 262 E HN 0.598 nan 8.360 nan 0.000 0.417 263 R N 1.014 121.565 120.500 0.084 0.000 2.494 263 R HA 0.290 4.630 4.340 -0.000 0.000 0.305 263 R C -0.710 175.641 176.300 0.085 0.000 0.959 263 R CA -0.808 55.344 56.100 0.088 0.000 0.864 263 R CB 1.368 31.725 30.300 0.095 0.000 1.159 263 R HN 0.534 nan 8.270 nan 0.000 0.446 264 D N 2.273 122.727 120.400 0.090 0.000 2.295 264 D HA 0.123 4.763 4.640 -0.000 0.000 0.248 264 D C -0.360 176.055 176.300 0.192 0.000 1.154 264 D CA -0.275 53.786 54.000 0.103 0.000 0.857 264 D CB 1.005 41.832 40.800 0.046 0.000 1.117 264 D HN 0.570 nan 8.370 nan 0.000 0.468 265 C N 2.910 122.352 119.300 0.237 0.000 2.778 265 C HA 0.227 4.687 4.460 -0.000 0.000 0.252 265 C C 1.834 176.988 174.990 0.274 0.000 1.693 265 C CA -0.568 58.608 59.018 0.263 0.000 1.724 265 C CB -1.153 26.766 27.740 0.300 0.000 3.153 265 C HN 0.506 nan 8.230 nan 0.000 0.493 266 S N 0.567 116.472 115.700 0.343 0.000 2.461 266 S HA -0.035 4.435 4.470 -0.000 0.000 0.228 266 S C 0.990 175.797 174.600 0.346 0.000 1.005 266 S CA 0.662 59.072 58.200 0.349 0.000 0.942 266 S CB 0.002 63.394 63.200 0.320 0.000 0.776 266 S HN 0.568 nan 8.310 nan 0.000 0.514 267 V N 4.399 124.504 119.914 0.320 0.000 2.359 267 V HA 0.187 4.307 4.120 -0.000 0.000 0.248 267 V C 0.065 176.247 176.094 0.146 0.000 1.091 267 V CA 0.039 62.452 62.300 0.188 0.000 1.103 267 V CB -1.141 30.705 31.823 0.039 0.000 1.176 267 V HN 0.511 nan 8.190 nan 0.000 0.488 268 Q N 4.207 124.086 119.800 0.132 0.000 2.522 268 Q HA 0.707 5.046 4.340 -0.000 0.000 0.285 268 Q C -0.756 175.252 176.000 0.013 0.000 0.982 268 Q CA -1.322 54.509 55.803 0.046 0.000 0.805 268 Q CB 2.196 30.922 28.738 -0.020 0.000 1.457 268 Q HN 0.579 nan 8.270 nan 0.000 0.394 269 R N 0.415 120.881 120.500 -0.057 0.000 2.603 269 R HA 0.531 4.871 4.340 -0.000 0.000 0.225 269 R C 0.773 176.977 176.300 -0.160 0.000 1.300 269 R CA -0.838 55.193 56.100 -0.115 0.000 1.075 269 R CB 0.469 30.649 30.300 -0.201 0.000 1.663 269 R HN 0.606 nan 8.270 nan 0.000 0.546 270 R N -0.135 120.232 120.500 -0.222 0.000 2.133 270 R HA -0.189 4.151 4.340 -0.000 0.000 0.245 270 R C 0.631 176.580 176.300 -0.585 0.000 1.137 270 R CA 2.286 58.139 56.100 -0.411 0.000 0.947 270 R CB -0.332 29.701 30.300 -0.446 0.000 0.865 270 R HN 0.632 nan 8.270 nan 0.000 0.437 271 H N -2.542 116.487 119.070 -0.069 0.000 2.665 271 H HA 0.263 4.819 4.556 -0.000 0.000 0.248 271 H C -0.878 174.412 175.328 -0.063 0.000 1.175 271 H CA -0.272 55.738 56.048 -0.063 0.000 0.952 271 H CB 0.817 30.552 29.762 -0.045 0.000 1.883 271 H HN 0.043 nan 8.280 nan 0.000 0.623 272 Q N 1.930 121.723 119.800 -0.012 0.000 2.337 272 Q HA 0.255 4.595 4.340 -0.000 0.000 0.260 272 Q C -1.137 174.848 176.000 -0.025 0.000 0.982 272 Q CA -0.841 54.954 55.803 -0.014 0.000 0.734 272 Q CB 1.018 29.740 28.738 -0.027 0.000 1.272 272 Q HN 0.227 nan 8.270 nan 0.000 0.461 273 K N 2.030 122.418 120.400 -0.019 0.000 2.448 273 K HA 0.084 4.404 4.320 -0.000 0.000 0.278 273 K C 0.205 176.823 176.600 0.030 0.000 1.009 273 K CA -0.067 56.217 56.287 -0.004 0.000 0.995 273 K CB 1.313 33.810 32.500 -0.005 0.000 0.917 273 K HN 0.408 nan 8.250 nan 0.000 0.481 274 V N 2.229 122.174 119.914 0.052 0.000 2.948 274 V HA 0.048 4.168 4.120 -0.000 0.000 0.234 274 V C -0.100 176.017 176.094 0.038 0.000 1.205 274 V CA 0.145 62.487 62.300 0.071 0.000 1.234 274 V CB 1.154 33.051 31.823 0.124 0.000 1.020 274 V HN 0.448 nan 8.190 nan 0.000 0.491 275 V N 1.209 121.148 119.914 0.040 0.000 2.577 275 V HA 0.551 4.671 4.120 -0.000 0.000 0.303 275 V C -1.004 175.171 176.094 0.134 0.000 1.042 275 V CA -0.571 61.752 62.300 0.040 0.000 0.872 275 V CB 1.943 33.723 31.823 -0.071 0.000 0.998 275 V HN 0.375 nan 8.190 nan 0.000 0.423 276 E N 2.463 122.749 120.200 0.143 0.000 2.212 276 E HA 0.792 5.142 4.350 -0.000 0.000 0.270 276 E C -1.198 175.537 176.600 0.225 0.000 0.956 276 E CA -0.447 56.058 56.400 0.175 0.000 0.825 276 E CB 2.351 32.123 29.700 0.120 0.000 1.167 276 E HN 0.436 nan 8.360 nan 0.000 0.400 277 V N 1.175 121.221 119.914 0.220 0.000 2.623 277 V HA 0.784 4.904 4.120 -0.000 0.000 0.304 277 V C -1.088 175.085 176.094 0.131 0.000 1.054 277 V CA -0.820 61.607 62.300 0.211 0.000 0.882 277 V CB 1.758 33.697 31.823 0.194 0.000 1.002 277 V HN 0.728 nan 8.190 nan 0.000 0.424 278 A N 7.194 130.097 122.820 0.137 0.000 2.359 278 A HA 0.986 5.306 4.320 -0.000 0.000 0.303 278 A C -2.953 174.682 177.584 0.085 0.000 1.066 278 A CA -1.628 50.464 52.037 0.091 0.000 0.730 278 A CB 2.133 21.178 19.000 0.074 0.000 1.211 278 A HN 0.540 nan 8.150 nan 0.000 0.439 279 P HA 0.252 nan 4.420 nan 0.000 0.282 279 P C 0.164 177.481 177.300 0.027 0.000 1.287 279 P CA -0.440 62.664 63.100 0.007 0.000 0.792 279 P CB 0.852 32.497 31.700 -0.091 0.000 1.163 280 S N -0.424 115.268 115.700 -0.014 0.000 2.488 280 S HA 0.230 4.700 4.470 -0.000 0.000 0.278 280 S C -0.078 174.438 174.600 -0.140 0.000 1.259 280 S CA -0.562 57.584 58.200 -0.091 0.000 1.061 280 S CB -0.909 62.237 63.200 -0.089 0.000 0.910 280 S HN 0.153 nan 8.310 nan 0.000 0.491 281 V N 5.039 124.768 119.914 -0.308 0.000 2.498 281 V HA 0.715 4.835 4.120 -0.000 0.000 0.279 281 V C 1.515 177.418 176.094 -0.319 0.000 1.048 281 V CA 0.239 62.316 62.300 -0.372 0.000 0.967 281 V CB 0.319 31.655 31.823 -0.810 0.000 0.988 281 V HN 1.182 nan 8.190 nan 0.000 0.473 282 G N 3.532 112.205 108.800 -0.212 0.000 2.436 282 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.204 282 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.204 282 G C 0.033 174.854 174.900 -0.131 0.000 1.026 282 G CA -0.316 44.677 45.100 -0.178 0.000 0.658 282 G HN 0.560 nan 8.290 nan 0.000 0.499 283 L N 2.692 123.838 121.223 -0.129 0.000 2.467 283 L HA 0.476 4.816 4.340 -0.000 0.000 0.270 283 L C 1.592 178.423 176.870 -0.066 0.000 1.205 283 L CA 0.165 54.948 54.840 -0.095 0.000 0.828 283 L CB 0.935 42.940 42.059 -0.091 0.000 1.101 283 L HN 0.556 nan 8.230 nan 0.000 0.479 284 S N 1.241 116.908 115.700 -0.055 0.000 2.579 284 S HA 0.188 4.658 4.470 -0.000 0.000 0.275 284 S C -1.845 172.738 174.600 -0.028 0.000 1.345 284 S CA -1.088 57.089 58.200 -0.039 0.000 1.031 284 S CB 0.946 64.123 63.200 -0.038 0.000 0.892 284 S HN 0.426 nan 8.310 nan 0.000 0.529 285 P HA -0.077 nan 4.420 nan 0.000 0.215 285 P C 1.645 178.946 177.300 0.002 0.000 1.157 285 P CA 1.760 64.859 63.100 -0.003 0.000 0.868 285 P CB -0.454 31.247 31.700 0.000 0.000 0.788 286 T N -3.635 110.915 114.554 -0.006 0.000 3.118 286 T HA 0.035 4.385 4.350 -0.000 0.000 0.260 286 T C 1.751 176.442 174.700 -0.015 0.000 1.139 286 T CA 0.263 62.359 62.100 -0.006 0.000 1.085 286 T CB -0.929 67.935 68.868 -0.006 0.000 0.934 286 T HN -0.016 nan 8.240 nan 0.000 0.518 287 L N 1.438 122.645 121.223 -0.026 0.000 2.023 287 L HA 0.003 4.343 4.340 -0.000 0.000 0.205 287 L C 3.205 180.048 176.870 -0.046 0.000 1.073 287 L CA 1.376 56.192 54.840 -0.040 0.000 0.745 287 L CB -0.243 41.783 42.059 -0.056 0.000 0.900 287 L HN 0.320 nan 8.230 nan 0.000 0.435 288 R N -0.879 119.595 120.500 -0.043 0.000 2.152 288 R HA -0.183 4.157 4.340 -0.000 0.000 0.232 288 R C 1.917 178.163 176.300 -0.091 0.000 1.117 288 R CA 0.902 56.968 56.100 -0.057 0.000 0.981 288 R CB -0.611 29.690 30.300 0.002 0.000 0.870 288 R HN 0.454 nan 8.270 nan 0.000 0.451 289 Q N 1.204 120.971 119.800 -0.055 0.000 2.061 289 Q HA -0.090 4.250 4.340 -0.000 0.000 0.204 289 Q C 2.192 178.116 176.000 -0.127 0.000 0.984 289 Q CA 1.648 57.401 55.803 -0.083 0.000 0.846 289 Q CB -0.135 28.588 28.738 -0.025 0.000 0.902 289 Q HN 0.480 nan 8.270 nan 0.000 0.421 290 R N -0.131 120.324 120.500 -0.076 0.000 2.096 290 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 290 R C 2.365 178.546 176.300 -0.199 0.000 1.127 290 R CA 1.001 57.066 56.100 -0.058 0.000 0.968 290 R CB -0.260 30.122 30.300 0.137 0.000 0.861 290 R HN 0.271 nan 8.270 nan 0.000 0.440 291 I N -0.252 120.181 120.570 -0.229 0.000 2.286 291 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 291 I C 2.415 178.245 176.117 -0.479 0.000 1.104 291 I CA 0.811 61.816 61.300 -0.492 0.000 1.397 291 I CB -0.302 37.432 38.000 -0.443 0.000 1.072 291 I HN 0.194 nan 8.210 nan 0.000 0.417 292 C N 0.795 119.863 119.300 -0.387 0.000 2.436 292 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 292 C C 2.500 177.271 174.990 -0.366 0.000 1.241 292 C CA 1.029 59.748 59.018 -0.499 0.000 1.721 292 C CB -0.967 26.225 27.740 -0.913 0.000 2.043 292 C HN 0.506 nan 8.230 nan 0.000 0.472 293 D N 0.887 121.112 120.400 -0.291 0.000 2.116 293 D HA -0.110 4.530 4.640 -0.000 0.000 0.193 293 D C 2.266 178.452 176.300 -0.189 0.000 0.998 293 D CA 1.756 55.642 54.000 -0.190 0.000 0.836 293 D CB -0.527 40.181 40.800 -0.155 0.000 0.951 293 D HN 0.481 nan 8.370 nan 0.000 0.449 294 A N 0.815 123.464 122.820 -0.285 0.000 1.892 294 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 294 A C 2.299 179.873 177.584 -0.016 0.000 1.188 294 A CA 2.677 54.550 52.037 -0.273 0.000 0.631 294 A CB -0.978 17.700 19.000 -0.537 0.000 0.822 294 A HN 0.261 nan 8.150 nan 0.000 0.447 295 A N -0.252 122.605 122.820 0.063 0.000 1.877 295 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 295 A C 2.045 179.632 177.584 0.005 0.000 1.186 295 A CA 1.613 53.724 52.037 0.123 0.000 0.620 295 A CB -0.520 18.557 19.000 0.129 0.000 0.822 295 A HN 0.405 nan 8.150 nan 0.000 0.443 296 I N -0.125 120.429 120.570 -0.027 0.000 2.264 296 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 296 I C 2.605 178.715 176.117 -0.011 0.000 1.111 296 I CA 1.913 63.209 61.300 -0.006 0.000 1.382 296 I CB -1.338 36.671 38.000 0.014 0.000 1.060 296 I HN 0.530 nan 8.210 nan 0.000 0.418 297 Q N 0.162 119.940 119.800 -0.037 0.000 2.124 297 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 297 Q C 2.226 178.209 176.000 -0.028 0.000 0.977 297 Q CA 1.487 57.266 55.803 -0.041 0.000 0.850 297 Q CB -0.043 28.648 28.738 -0.078 0.000 0.901 297 Q HN 0.404 nan 8.270 nan 0.000 0.429 298 L N -0.274 120.928 121.223 -0.034 0.000 1.988 298 L HA -0.161 4.179 4.340 -0.000 0.000 0.207 298 L C 1.987 178.876 176.870 0.031 0.000 1.071 298 L CA 1.789 56.611 54.840 -0.030 0.000 0.744 298 L CB -0.423 41.588 42.059 -0.080 0.000 0.893 298 L HN 0.266 nan 8.230 nan 0.000 0.433 299 M N -0.772 118.837 119.600 0.016 0.000 2.296 299 M HA -0.136 4.344 4.480 -0.000 0.000 0.265 299 M C 2.184 178.557 176.300 0.122 0.000 1.064 299 M CA 1.297 56.630 55.300 0.056 0.000 1.109 299 M CB -1.145 31.421 32.600 -0.056 0.000 1.396 299 M HN 0.472 nan 8.290 nan 0.000 0.430 300 E N 0.186 120.432 120.200 0.076 0.000 2.216 300 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 300 E C 1.678 178.324 176.600 0.076 0.000 0.988 300 E CA 0.477 56.922 56.400 0.075 0.000 0.834 300 E CB 0.152 29.878 29.700 0.044 0.000 0.772 300 E HN 0.332 nan 8.360 nan 0.000 0.479 301 N N 0.562 119.300 118.700 0.065 0.000 2.396 301 N HA -0.099 4.641 4.740 -0.000 0.000 0.180 301 N C 1.369 176.926 175.510 0.078 0.000 1.028 301 N CA 0.854 53.935 53.050 0.051 0.000 0.893 301 N CB 0.182 38.682 38.487 0.022 0.000 0.967 301 N HN 0.290 nan 8.380 nan 0.000 0.440 302 I N -3.268 117.386 120.570 0.139 0.000 4.025 302 I HA 0.373 4.543 4.170 -0.000 0.000 0.336 302 I C -0.457 175.842 176.117 0.303 0.000 1.390 302 I CA -0.348 61.063 61.300 0.185 0.000 1.099 302 I CB -0.112 38.017 38.000 0.215 0.000 1.049 302 I HN -0.199 nan 8.210 nan 0.000 0.394 303 K N 0.483 121.034 120.400 0.252 0.000 3.239 303 K HA -0.276 4.044 4.320 -0.000 0.000 0.270 303 K C -0.471 176.303 176.600 0.290 0.000 1.049 303 K CA 0.477 56.909 56.287 0.242 0.000 0.769 303 K CB -2.388 30.234 32.500 0.203 0.000 1.305 303 K HN 0.584 nan 8.250 nan 0.000 0.469 304 Y N 0.406 120.746 120.300 0.067 0.000 2.442 304 Y HA 0.255 4.805 4.550 -0.000 0.000 0.330 304 Y C 0.385 176.143 175.900 -0.237 0.000 1.129 304 Y CA -0.292 57.666 58.100 -0.236 0.000 1.365 304 Y CB 0.788 39.174 38.460 -0.124 0.000 1.233 304 Y HN 0.033 nan 8.280 nan 0.000 0.529 305 V N 7.403 126.721 119.914 -0.993 0.000 2.513 305 V HA 0.296 4.416 4.120 -0.000 0.000 0.299 305 V C 0.115 175.761 176.094 -0.747 0.000 1.035 305 V CA -0.962 60.934 62.300 -0.675 0.000 0.889 305 V CB 1.262 32.635 31.823 -0.749 0.000 0.988 305 V HN 1.120 nan 8.190 nan 0.000 0.440 306 N N 1.484 119.994 118.700 -0.317 0.000 6.681 306 N HA -0.171 4.569 4.740 -0.000 0.000 0.407 306 N C -0.205 175.332 175.510 0.045 0.000 0.934 306 N CA 0.697 53.650 53.050 -0.162 0.000 1.206 306 N CB -0.347 38.018 38.487 -0.204 0.000 0.835 306 N HN 1.068 nan 8.380 nan 0.000 0.310 307 A N 0.051 122.923 122.820 0.086 0.000 2.366 307 A HA 0.631 4.951 4.320 -0.000 0.000 0.272 307 A C 0.674 178.433 177.584 0.290 0.000 1.135 307 A CA 0.778 52.916 52.037 0.169 0.000 0.804 307 A CB 0.524 19.575 19.000 0.086 0.000 1.064 307 A HN 0.929 nan 8.150 nan 0.000 0.499 308 G N 0.448 109.359 108.800 0.185 0.000 2.733 308 G HA2 0.559 4.519 3.960 -0.000 0.000 0.297 308 G HA3 0.559 4.519 3.960 -0.000 0.000 0.297 308 G C -0.893 173.928 174.900 -0.132 0.000 1.422 308 G CA -0.367 44.714 45.100 -0.032 0.000 0.942 308 G HN 0.685 nan 8.290 nan 0.000 0.510 309 T N 0.489 114.963 114.554 -0.134 0.000 2.824 309 T HA 0.542 4.892 4.350 -0.000 0.000 0.280 309 T C -0.243 174.333 174.700 -0.208 0.000 0.995 309 T CA -0.339 61.692 62.100 -0.115 0.000 1.009 309 T CB 1.727 70.567 68.868 -0.046 0.000 0.955 309 T HN 0.421 nan 8.240 nan 0.000 0.452 310 V N 3.615 123.425 119.914 -0.173 0.000 2.313 310 V HA 0.324 4.444 4.120 -0.000 0.000 0.278 310 V C 0.346 176.240 176.094 -0.334 0.000 1.017 310 V CA -0.812 61.333 62.300 -0.258 0.000 0.823 310 V CB 0.953 32.686 31.823 -0.150 0.000 1.010 310 V HN 0.836 nan 8.190 nan 0.000 0.443 311 E N 3.218 123.126 120.200 -0.485 0.000 2.343 311 E HA 0.586 4.936 4.350 -0.000 0.000 0.269 311 E C -1.197 174.953 176.600 -0.751 0.000 1.047 311 E CA -0.069 56.053 56.400 -0.462 0.000 0.874 311 E CB 1.331 30.833 29.700 -0.330 0.000 1.033 311 E HN 0.531 nan 8.360 nan 0.000 0.409 312 F N 1.039 120.821 119.950 -0.279 0.000 2.691 312 F HA 0.526 5.053 4.527 -0.000 0.000 0.334 312 F C -0.790 174.923 175.800 -0.145 0.000 1.107 312 F CA -1.024 56.892 58.000 -0.140 0.000 0.991 312 F CB 1.055 40.033 39.000 -0.036 0.000 1.400 312 F HN 0.216 nan 8.300 nan 0.000 0.503 313 L N 1.352 122.745 121.223 0.282 0.000 2.439 313 L HA 0.674 5.014 4.340 -0.000 0.000 0.270 313 L C -1.470 175.559 176.870 0.265 0.000 0.972 313 L CA -0.424 54.538 54.840 0.203 0.000 0.836 313 L CB 1.736 43.892 42.059 0.162 0.000 1.255 313 L HN 0.311 nan 8.230 nan 0.000 0.404 314 V N 3.605 123.613 119.914 0.157 0.000 2.483 314 V HA 0.830 4.950 4.120 -0.000 0.000 0.295 314 V C 0.056 176.203 176.094 0.089 0.000 1.035 314 V CA -0.176 62.195 62.300 0.118 0.000 0.896 314 V CB 1.556 33.398 31.823 0.031 0.000 0.986 314 V HN 0.850 nan 8.190 nan 0.000 0.447 318 D N 2.246 122.594 120.400 -0.087 0.000 2.957 318 D HA 0.262 4.902 4.640 -0.000 0.000 0.352 318 D C -0.635 175.488 176.300 -0.293 0.000 1.352 318 D CA 0.052 53.961 54.000 -0.152 0.000 0.831 318 D CB 0.690 41.413 40.800 -0.129 0.000 1.147 318 D HN 0.607 nan 8.370 nan 0.000 0.467 319 E N 0.705 120.730 120.200 -0.292 0.000 2.302 319 E HA 0.214 4.564 4.350 -0.000 0.000 0.263 319 E C -0.173 176.169 176.600 -0.429 0.000 0.897 319 E CA -0.927 55.126 56.400 -0.578 0.000 0.809 319 E CB 0.738 30.204 29.700 -0.390 0.000 1.270 319 E HN -0.142 nan 8.360 nan 0.000 0.410 320 F N 1.195 121.015 119.950 -0.216 0.000 2.595 320 F HA 0.438 4.965 4.527 -0.000 0.000 0.359 320 F C -0.539 175.114 175.800 -0.244 0.000 1.147 320 F CA -0.661 57.231 58.000 -0.180 0.000 1.341 320 F CB -0.063 38.741 39.000 -0.326 0.000 1.104 320 F HN 0.352 nan 8.300 nan 0.000 0.603 321 F N 3.240 123.499 119.950 0.515 0.000 2.730 321 F HA 0.259 4.785 4.527 -0.000 0.000 0.335 321 F C -0.581 175.465 175.800 0.409 0.000 1.212 321 F CA -0.996 57.254 58.000 0.416 0.000 1.016 321 F CB 1.195 40.327 39.000 0.220 0.000 1.290 321 F HN 0.561 nan 8.300 nan 0.000 0.495 322 F N 5.221 125.372 119.950 0.334 0.000 2.578 322 F HA 0.192 4.719 4.527 -0.000 0.000 0.381 322 F C 0.143 175.930 175.800 -0.021 0.000 1.069 322 F CA 0.172 58.134 58.000 -0.062 0.000 1.231 322 F CB 0.459 39.408 39.000 -0.085 0.000 1.086 322 F HN 0.373 nan 8.300 nan 0.000 0.564 323 I N 3.619 123.656 120.570 -0.889 0.000 3.196 323 I HA 0.132 4.302 4.170 -0.000 0.000 0.248 323 I C 0.340 175.924 176.117 -0.888 0.000 1.105 323 I CA 0.771 61.709 61.300 -0.604 0.000 1.482 323 I CB -0.838 36.995 38.000 -0.279 0.000 1.400 323 I HN 0.709 nan 8.210 nan 0.000 0.464 324 E N -0.047 119.511 120.200 -1.070 0.000 2.454 324 E HA 0.556 4.906 4.350 -0.000 0.000 0.279 324 E C -1.652 174.594 176.600 -0.589 0.000 1.029 324 E CA -0.657 55.333 56.400 -0.683 0.000 0.831 324 E CB 2.641 32.188 29.700 -0.256 0.000 1.405 324 E HN -0.191 nan 8.360 nan 0.000 0.463 325 V N 1.771 121.519 119.914 -0.277 0.000 2.487 325 V HA 0.365 4.485 4.120 -0.000 0.000 0.298 325 V C -0.984 174.986 176.094 -0.207 0.000 1.028 325 V CA -1.021 61.047 62.300 -0.386 0.000 0.860 325 V CB 1.661 32.877 31.823 -1.012 0.000 0.991 325 V HN 0.595 nan 8.190 nan 0.000 0.427 326 N N 6.396 124.999 118.700 -0.162 0.000 2.527 326 N HA 0.320 5.060 4.740 -0.000 0.000 0.236 326 N C -2.594 172.925 175.510 0.015 0.000 0.999 326 N CA -1.414 51.617 53.050 -0.031 0.000 0.935 326 N CB 1.858 40.339 38.487 -0.010 0.000 1.132 326 N HN 0.381 nan 8.380 nan 0.000 0.511 327 P HA 0.154 nan 4.420 nan 0.000 0.218 327 P C -0.563 176.905 177.300 0.281 0.000 1.793 327 P CA -0.044 63.220 63.100 0.274 0.000 0.941 327 P CB -0.020 31.921 31.700 0.402 0.000 1.919 328 R N -1.571 119.053 120.500 0.206 0.000 2.975 328 R HA 0.428 4.768 4.340 -0.000 0.000 0.273 328 R C -0.837 175.547 176.300 0.141 0.000 0.971 328 R CA -1.038 55.167 56.100 0.176 0.000 0.836 328 R CB -0.683 29.737 30.300 0.201 0.000 1.460 328 R HN -0.161 nan 8.270 nan 0.000 0.459 329 V N -1.067 118.934 119.914 0.145 0.000 2.834 329 V HA 0.506 4.626 4.120 -0.000 0.000 0.301 329 V C -0.194 176.006 176.094 0.178 0.000 1.066 329 V CA -0.523 61.855 62.300 0.129 0.000 1.052 329 V CB 0.898 32.747 31.823 0.043 0.000 1.021 329 V HN 0.625 nan 8.190 nan 0.000 0.480 330 Q N 1.365 121.251 119.800 0.144 0.000 2.204 330 Q HA 0.481 4.820 4.340 -0.000 0.000 0.254 330 Q C 0.959 177.005 176.000 0.077 0.000 0.981 330 Q CA -0.798 55.038 55.803 0.055 0.000 0.897 330 Q CB 2.081 30.842 28.738 0.039 0.000 1.273 330 Q HN 0.637 nan 8.270 nan 0.000 0.464 331 V N 0.665 120.412 119.914 -0.278 0.000 2.469 331 V HA -0.231 3.889 4.120 -0.000 0.000 0.251 331 V C 1.509 177.608 176.094 0.008 0.000 1.064 331 V CA 1.956 64.094 62.300 -0.269 0.000 1.066 331 V CB -0.734 30.820 31.823 -0.447 0.000 0.667 331 V HN 0.828 nan 8.190 nan 0.000 0.461 332 E N 1.324 121.524 120.200 0.000 0.000 2.394 332 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 332 E C 1.577 178.165 176.600 -0.020 0.000 1.044 332 E CA 0.077 56.461 56.400 -0.027 0.000 0.939 332 E CB -0.764 28.941 29.700 0.007 0.000 1.089 332 E HN 0.871 nan 8.360 nan 0.000 0.456 333 H N 0.396 119.489 119.070 0.038 0.000 2.387 333 H HA -0.049 4.507 4.556 -0.000 0.000 0.299 333 H C 1.040 176.391 175.328 0.038 0.000 1.090 333 H CA 1.587 57.665 56.048 0.050 0.000 1.332 333 H CB -0.867 28.937 29.762 0.071 0.000 1.386 333 H HN 0.014 nan 8.280 nan 0.000 0.516 334 T N 2.350 116.527 114.554 -0.628 0.000 2.653 334 T HA -0.167 4.183 4.350 -0.000 0.000 0.268 334 T C 2.179 176.797 174.700 -0.136 0.000 1.035 334 T CA 1.593 63.492 62.100 -0.335 0.000 1.154 334 T CB -0.487 68.170 68.868 -0.351 0.000 0.862 334 T HN 0.318 nan 8.240 nan 0.000 0.441 335 I N 0.735 121.244 120.570 -0.102 0.000 2.248 335 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 335 I C 2.208 178.309 176.117 -0.026 0.000 1.107 335 I CA 1.462 62.741 61.300 -0.036 0.000 1.373 335 I CB -0.183 37.825 38.000 0.013 0.000 1.055 335 I HN 0.330 nan 8.210 nan 0.000 0.418 336 T N -0.331 114.224 114.554 0.002 0.000 2.978 336 T HA -0.080 4.270 4.350 -0.000 0.000 0.262 336 T C 1.577 176.278 174.700 0.002 0.000 1.063 336 T CA 0.748 62.865 62.100 0.028 0.000 1.140 336 T CB -0.147 68.769 68.868 0.081 0.000 0.886 336 T HN 0.426 nan 8.240 nan 0.000 0.470 337 E N 1.182 121.384 120.200 0.002 0.000 2.204 337 E HA -0.043 4.306 4.350 -0.000 0.000 0.195 337 E C 1.999 178.542 176.600 -0.093 0.000 0.990 337 E CA 0.911 57.306 56.400 -0.008 0.000 0.821 337 E CB -0.231 29.487 29.700 0.030 0.000 0.750 337 E HN 0.517 nan 8.360 nan 0.000 0.477 338 M N 0.256 119.750 119.600 -0.176 0.000 2.349 338 M HA -0.081 4.399 4.480 -0.000 0.000 0.266 338 M C 2.428 178.398 176.300 -0.550 0.000 1.076 338 M CA 0.884 55.945 55.300 -0.398 0.000 1.126 338 M CB 0.146 32.471 32.600 -0.460 0.000 1.392 338 M HN 0.106 nan 8.290 nan 0.000 0.440 339 V N -3.339 116.400 119.914 -0.292 0.000 2.825 339 V HA 0.003 4.123 4.120 -0.000 0.000 0.246 339 V C 2.160 178.186 176.094 -0.114 0.000 1.068 339 V CA 1.404 63.594 62.300 -0.183 0.000 1.088 339 V CB -1.286 30.468 31.823 -0.115 0.000 0.733 339 V HN 0.470 nan 8.190 nan 0.000 0.468 340 T N -2.647 111.866 114.554 -0.068 0.000 2.976 340 T HA 0.377 4.727 4.350 -0.000 0.000 0.257 340 T C 1.831 176.524 174.700 -0.011 0.000 1.051 340 T CA 1.332 63.426 62.100 -0.010 0.000 1.141 340 T CB 0.133 69.040 68.868 0.064 0.000 0.881 340 T HN 1.607 nan 8.240 nan 0.000 0.461 341 G N 1.060 109.842 108.800 -0.031 0.000 2.159 341 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.227 341 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.227 341 G C -0.186 174.715 174.900 0.001 0.000 0.986 341 G CA -0.117 44.972 45.100 -0.019 0.000 0.651 341 G HN 0.601 nan 8.290 nan 0.000 0.523 342 I N 1.480 122.057 120.570 0.012 0.000 2.359 342 I HA 0.355 4.525 4.170 -0.000 0.000 0.294 342 I C 0.016 176.153 176.117 0.033 0.000 0.987 342 I CA -0.973 60.341 61.300 0.024 0.000 1.225 342 I CB 1.590 39.609 38.000 0.031 0.000 1.366 342 I HN 0.065 nan 8.210 nan 0.000 0.466 343 D N 6.511 126.932 120.400 0.034 0.000 2.359 343 D HA 0.141 4.781 4.640 -0.000 0.000 0.250 343 D C 1.089 177.420 176.300 0.051 0.000 1.264 343 D CA 0.291 54.320 54.000 0.047 0.000 0.911 343 D CB 0.678 41.501 40.800 0.039 0.000 1.056 343 D HN 0.445 nan 8.370 nan 0.000 0.499 344 I N 3.210 123.825 120.570 0.074 0.000 2.179 344 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 344 I C 2.333 178.471 176.117 0.035 0.000 1.088 344 I CA 0.621 61.959 61.300 0.063 0.000 1.357 344 I CB 0.103 38.161 38.000 0.095 0.000 1.051 344 I HN 0.305 nan 8.210 nan 0.000 0.409 345 V N 0.810 120.733 119.914 0.015 0.000 2.261 345 V HA -0.322 3.798 4.120 -0.000 0.000 0.246 345 V C 2.503 178.618 176.094 0.035 0.000 1.047 345 V CA 2.077 64.375 62.300 -0.003 0.000 1.015 345 V CB -0.661 31.114 31.823 -0.079 0.000 0.642 345 V HN 0.360 nan 8.190 nan 0.000 0.446 346 K N 0.332 120.749 120.400 0.029 0.000 2.034 346 K HA -0.230 4.090 4.320 -0.000 0.000 0.214 346 K C 2.102 178.718 176.600 0.027 0.000 1.051 346 K CA 2.462 58.767 56.287 0.030 0.000 0.931 346 K CB -0.774 31.743 32.500 0.028 0.000 0.715 346 K HN 0.524 nan 8.250 nan 0.000 0.446 347 T N 0.936 115.504 114.554 0.022 0.000 2.759 347 T HA -0.171 4.178 4.350 -0.000 0.000 0.269 347 T C 1.724 176.425 174.700 0.001 0.000 1.042 347 T CA 1.504 63.610 62.100 0.010 0.000 1.140 347 T CB -0.211 68.665 68.868 0.013 0.000 0.864 347 T HN 0.371 nan 8.240 nan 0.000 0.455 348 Q N 0.300 120.106 119.800 0.010 0.000 2.045 348 Q HA -0.097 4.243 4.340 -0.000 0.000 0.206 348 Q C 2.421 178.400 176.000 -0.034 0.000 0.991 348 Q CA 1.521 57.312 55.803 -0.020 0.000 0.851 348 Q CB -0.455 28.279 28.738 -0.006 0.000 0.911 348 Q HN 0.539 nan 8.270 nan 0.000 0.418 349 I N 0.610 121.186 120.570 0.010 0.000 2.163 349 I HA -0.316 3.854 4.170 -0.000 0.000 0.243 349 I C 2.282 178.398 176.117 -0.002 0.000 1.085 349 I CA 1.154 62.462 61.300 0.014 0.000 1.347 349 I CB -0.379 37.653 38.000 0.054 0.000 1.044 349 I HN 0.195 nan 8.210 nan 0.000 0.408 350 L N -0.067 121.155 121.223 -0.002 0.000 2.046 350 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 350 L C 2.626 179.479 176.870 -0.028 0.000 1.077 350 L CA 0.985 55.818 54.840 -0.012 0.000 0.747 350 L CB -0.668 41.383 42.059 -0.014 0.000 0.896 350 L HN 0.084 nan 8.230 nan 0.000 0.432 351 V N 0.232 120.124 119.914 -0.036 0.000 2.287 351 V HA -0.328 3.792 4.120 -0.000 0.000 0.248 351 V C 2.770 178.847 176.094 -0.029 0.000 1.053 351 V CA 1.941 64.213 62.300 -0.046 0.000 1.027 351 V CB -0.900 30.890 31.823 -0.054 0.000 0.646 351 V HN 0.506 nan 8.190 nan 0.000 0.447 352 A N -0.181 122.619 122.820 -0.034 0.000 1.972 352 A HA -0.070 4.250 4.320 -0.000 0.000 0.219 352 A C 2.248 179.836 177.584 0.007 0.000 1.169 352 A CA 1.811 53.837 52.037 -0.018 0.000 0.635 352 A CB -0.602 18.368 19.000 -0.051 0.000 0.810 352 A HN 0.615 nan 8.150 nan 0.000 0.446 353 A N -1.893 120.928 122.820 0.002 0.000 2.235 353 A HA 0.386 4.706 4.320 -0.000 0.000 0.208 353 A C 1.859 179.456 177.584 0.022 0.000 1.172 353 A CA 1.272 53.316 52.037 0.012 0.000 0.786 353 A CB -0.924 18.081 19.000 0.008 0.000 0.804 353 A HN 1.871 nan 8.150 nan 0.000 0.479 354 G N -2.149 106.666 108.800 0.025 0.000 2.176 354 G HA2 0.072 4.032 3.960 -0.000 0.000 0.253 354 G HA3 0.072 4.032 3.960 -0.000 0.000 0.253 354 G C 0.463 175.347 174.900 -0.027 0.000 0.979 354 G CA 0.304 45.442 45.100 0.063 0.000 0.641 354 G HN 1.599 nan 8.290 nan 0.000 0.530 355 A N 0.004 122.777 122.820 -0.079 0.000 2.445 355 A HA 0.545 4.865 4.320 -0.000 0.000 0.242 355 A C 1.134 178.546 177.584 -0.286 0.000 1.075 355 A CA 0.896 52.850 52.037 -0.138 0.000 0.777 355 A CB 0.394 19.350 19.000 -0.073 0.000 1.013 355 A HN 0.323 nan 8.150 nan 0.000 0.493 356 D N 0.853 121.059 120.400 -0.324 0.000 2.089 356 D HA 0.358 4.998 4.640 -0.000 0.000 0.246 356 D C 0.966 177.164 176.300 -0.171 0.000 1.015 356 D CA 1.917 55.697 54.000 -0.367 0.000 0.917 356 D CB 0.149 40.800 40.800 -0.248 0.000 1.015 356 D HN 1.236 nan 8.370 nan 0.000 0.425 357 G N -0.029 108.751 108.800 -0.032 0.000 2.422 357 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.607 357 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.607 357 G C 0.421 175.310 174.900 -0.017 0.000 1.270 357 G CA 0.199 45.284 45.100 -0.025 0.000 0.992 357 G HN 0.280 nan 8.290 nan 0.000 0.499 358 E N 0.088 120.281 120.200 -0.012 0.000 2.204 358 E HA -0.070 4.280 4.350 -0.000 0.000 0.195 358 E C 2.095 178.691 176.600 -0.006 0.000 0.990 358 E CA 1.756 58.152 56.400 -0.006 0.000 0.821 358 E CB 0.108 29.808 29.700 -0.002 0.000 0.750 358 E HN 0.588 nan 8.360 nan 0.000 0.477 359 E N 0.558 120.750 120.200 -0.013 0.000 2.021 359 E HA 0.034 4.384 4.350 -0.000 0.000 0.191 359 E C 2.157 178.751 176.600 -0.011 0.000 0.971 359 E CA 0.413 56.806 56.400 -0.012 0.000 0.825 359 E CB -0.104 29.586 29.700 -0.017 0.000 0.788 359 E HN 0.091 nan 8.360 nan 0.000 0.460 360 I N 0.630 121.187 120.570 -0.021 0.000 2.286 360 I HA -0.181 3.989 4.170 -0.000 0.000 0.248 360 I C -0.395 175.716 176.117 -0.009 0.000 1.115 360 I CA 0.482 61.772 61.300 -0.017 0.000 1.392 360 I CB -0.638 37.344 38.000 -0.030 0.000 1.065 360 I HN 0.195 nan 8.210 nan 0.000 0.418 361 N N 0.933 119.626 118.700 -0.011 0.000 2.889 361 N HA -0.116 4.624 4.740 -0.000 0.000 0.286 361 N C -2.591 172.916 175.510 -0.004 0.000 1.721 361 N CA -0.219 52.828 53.050 -0.005 0.000 1.506 361 N CB -0.761 37.727 38.487 0.001 0.000 0.882 361 N HN 0.213 nan 8.380 nan 0.000 0.501 362 P HA 0.347 nan 4.420 nan 0.000 0.307 362 P C -1.020 176.269 177.300 -0.018 0.000 1.385 362 P CA -0.890 62.206 63.100 -0.006 0.000 1.108 362 P CB 1.087 32.789 31.700 0.003 0.000 1.505 363 Q N 0.924 120.714 119.800 -0.016 0.000 2.428 363 Q HA -0.068 4.272 4.340 -0.000 0.000 0.276 363 Q C 1.048 177.022 176.000 -0.043 0.000 1.059 363 Q CA 0.359 56.147 55.803 -0.025 0.000 0.923 363 Q CB 0.699 29.429 28.738 -0.014 0.000 1.283 363 Q HN 0.428 nan 8.270 nan 0.000 0.447 364 Q N 2.562 122.320 119.800 -0.070 0.000 2.152 364 Q HA -0.217 4.123 4.340 -0.000 0.000 0.206 364 Q C 1.544 177.493 176.000 -0.086 0.000 0.985 364 Q CA 2.140 57.864 55.803 -0.132 0.000 0.863 364 Q CB 0.002 28.652 28.738 -0.147 0.000 0.904 364 Q HN 0.615 nan 8.270 nan 0.000 0.422 365 K N -1.035 119.346 120.400 -0.032 0.000 2.439 365 K HA -0.093 4.227 4.320 -0.000 0.000 0.197 365 K C 0.262 176.878 176.600 0.026 0.000 1.041 365 K CA 1.360 57.650 56.287 0.006 0.000 0.970 365 K CB 0.214 32.719 32.500 0.007 0.000 0.773 365 K HN 0.166 nan 8.250 nan 0.000 0.479 366 D N 1.123 121.533 120.400 0.016 0.000 2.392 366 D HA 0.160 4.800 4.640 -0.000 0.000 0.206 366 D C 0.675 177.004 176.300 0.048 0.000 1.046 366 D CA 0.058 54.074 54.000 0.027 0.000 0.865 366 D CB 0.350 41.157 40.800 0.012 0.000 0.969 366 D HN 0.198 nan 8.370 nan 0.000 0.509 367 I N 2.161 122.767 120.570 0.060 0.000 2.471 367 I HA 0.066 4.236 4.170 -0.000 0.000 0.286 367 I C 0.806 177.109 176.117 0.310 0.000 1.079 367 I CA 0.308 61.687 61.300 0.132 0.000 1.398 367 I CB 0.709 38.751 38.000 0.071 0.000 1.403 367 I HN -0.096 nan 8.210 nan 0.000 0.530 368 T N 0.878 115.529 114.554 0.161 0.000 2.654 368 T HA 0.568 4.918 4.350 -0.000 0.000 0.289 368 T C -0.299 174.199 174.700 -0.336 0.000 1.062 368 T CA -0.856 61.175 62.100 -0.114 0.000 1.041 368 T CB 1.742 70.547 68.868 -0.104 0.000 1.417 368 T HN 0.530 nan 8.240 nan 0.000 0.510 369 T N -0.043 114.200 114.554 -0.519 0.000 2.792 369 T HA 0.641 4.991 4.350 -0.000 0.000 0.280 369 T C -0.821 173.726 174.700 -0.256 0.000 0.990 369 T CA -0.795 61.066 62.100 -0.397 0.000 0.960 369 T CB 0.994 69.541 68.868 -0.536 0.000 0.939 369 T HN 0.694 nan 8.240 nan 0.000 0.439 370 L N 4.493 125.637 121.223 -0.133 0.000 2.264 370 L HA 0.674 5.014 4.340 -0.000 0.000 0.289 370 L C 0.834 177.714 176.870 0.016 0.000 1.044 370 L CA 1.373 56.185 54.840 -0.047 0.000 0.807 370 L CB -0.045 42.040 42.059 0.043 0.000 1.192 370 L HN 1.309 nan 8.230 nan 0.000 0.425 371 G N 3.271 112.007 108.800 -0.106 0.000 2.601 371 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.261 371 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.261 371 G C -0.956 173.777 174.900 -0.279 0.000 1.289 371 G CA 0.400 45.431 45.100 -0.116 0.000 0.920 371 G HN 0.701 nan 8.290 nan 0.000 0.571 372 Y N -0.153 120.227 120.300 0.133 0.000 2.477 372 Y HA 0.672 5.222 4.550 -0.000 0.000 0.347 372 Y C 0.681 176.734 175.900 0.255 0.000 0.981 372 Y CA -0.052 58.143 58.100 0.158 0.000 1.033 372 Y CB 2.255 40.822 38.460 0.178 0.000 1.245 372 Y HN 1.102 nan 8.280 nan 0.000 0.455 373 A N 3.410 126.447 122.820 0.360 0.000 2.380 373 A HA 0.935 5.255 4.320 -0.000 0.000 0.315 373 A C -1.256 176.483 177.584 0.259 0.000 1.101 373 A CA -0.705 51.501 52.037 0.282 0.000 0.771 373 A CB 0.997 20.090 19.000 0.154 0.000 1.287 373 A HN 0.711 nan 8.150 nan 0.000 0.436 374 I N 0.366 121.064 120.570 0.213 0.000 2.730 374 I HA 0.457 4.627 4.170 -0.000 0.000 0.298 374 I C -0.324 175.862 176.117 0.115 0.000 1.089 374 I CA -0.403 61.023 61.300 0.210 0.000 1.041 374 I CB 2.339 40.482 38.000 0.238 0.000 1.235 374 I HN 0.722 nan 8.210 nan 0.000 0.423 375 Q N 3.833 123.692 119.800 0.099 0.000 2.321 375 Q HA 0.527 4.867 4.340 -0.000 0.000 0.270 375 Q C -1.817 174.200 176.000 0.028 0.000 1.032 375 Q CA -0.529 55.301 55.803 0.045 0.000 0.784 375 Q CB 2.352 31.104 28.738 0.023 0.000 1.264 375 Q HN 0.743 nan 8.270 nan 0.000 0.448 376 C N 3.141 122.442 119.300 0.001 0.000 2.382 376 C HA 0.539 4.999 4.460 -0.000 0.000 0.327 376 C C -0.068 174.921 174.990 -0.002 0.000 1.250 376 C CA -0.530 58.474 59.018 -0.025 0.000 1.707 376 C CB 1.011 28.715 27.740 -0.061 0.000 2.272 376 C HN 0.815 nan 8.230 nan 0.000 0.506 377 R N 2.780 123.287 120.500 0.011 0.000 2.265 377 R HA 0.594 4.934 4.340 -0.000 0.000 0.319 377 R C -0.735 175.597 176.300 0.052 0.000 1.006 377 R CA -0.248 55.875 56.100 0.038 0.000 0.880 377 R CB 0.581 30.913 30.300 0.053 0.000 1.077 377 R HN 0.580 nan 8.270 nan 0.000 0.454 378 I N 4.163 124.765 120.570 0.054 0.000 2.390 378 I HA 0.230 4.400 4.170 -0.000 0.000 0.283 378 I C 0.095 176.249 176.117 0.062 0.000 1.016 378 I CA -0.391 60.943 61.300 0.056 0.000 1.151 378 I CB 1.179 39.210 38.000 0.053 0.000 1.293 378 I HN 0.658 nan 8.210 nan 0.000 0.458 379 T N -0.073 114.518 114.554 0.061 0.000 2.916 379 T HA 0.301 4.651 4.350 -0.000 0.000 0.292 379 T C 1.264 175.975 174.700 0.018 0.000 1.055 379 T CA -0.318 61.814 62.100 0.054 0.000 1.009 379 T CB 1.901 70.817 68.868 0.079 0.000 1.118 379 T HN 0.635 nan 8.240 nan 0.000 0.497 380 T N -1.340 113.223 114.554 0.016 0.000 2.849 380 T HA -0.110 4.240 4.350 -0.000 0.000 0.270 380 T C 0.561 175.228 174.700 -0.054 0.000 1.066 380 T CA 0.828 62.922 62.100 -0.011 0.000 1.130 380 T CB -0.962 67.908 68.868 0.004 0.000 0.864 380 T HN 0.788 nan 8.240 nan 0.000 0.481 381 E N 2.904 123.073 120.200 -0.052 0.000 3.025 381 E HA -0.049 4.301 4.350 -0.000 0.000 0.248 381 E C -0.603 175.807 176.600 -0.316 0.000 0.938 381 E CA 0.108 56.435 56.400 -0.121 0.000 0.958 381 E CB 0.103 29.795 29.700 -0.013 0.000 0.898 381 E HN 0.538 nan 8.360 nan 0.000 0.537 382 D N 5.534 125.780 120.400 -0.258 0.000 2.401 382 D HA -0.005 4.635 4.640 -0.000 0.000 0.254 382 D C -1.369 174.638 176.300 -0.488 0.000 1.192 382 D CA -1.168 52.667 54.000 -0.276 0.000 0.885 382 D CB 0.928 41.645 40.800 -0.140 0.000 1.147 382 D HN 0.294 nan 8.370 nan 0.000 0.478 383 P HA 0.030 nan 4.420 nan 0.000 0.245 383 P C 1.209 178.424 177.300 -0.141 0.000 1.206 383 P CA 0.336 63.148 63.100 -0.480 0.000 0.781 383 P CB 0.411 31.825 31.700 -0.478 0.000 0.994 384 L N -1.437 119.717 121.223 -0.115 0.000 2.592 384 L HA 0.225 4.565 4.340 -0.000 0.000 0.227 384 L C 0.559 177.417 176.870 -0.021 0.000 1.127 384 L CA 0.257 55.074 54.840 -0.039 0.000 0.884 384 L CB -0.439 41.595 42.059 -0.043 0.000 1.065 384 L HN -0.033 nan 8.230 nan 0.000 0.457 385 N N 0.053 118.731 118.700 -0.036 0.000 2.701 385 N HA 0.053 4.793 4.740 -0.000 0.000 0.258 385 N C -0.835 174.688 175.510 0.022 0.000 1.262 385 N CA -0.382 52.663 53.050 -0.007 0.000 0.780 385 N CB 0.447 38.922 38.487 -0.021 0.000 1.380 385 N HN -0.098 nan 8.380 nan 0.000 0.548 386 D N 3.177 123.630 120.400 0.089 0.000 4.216 386 D HA -0.246 4.394 4.640 -0.000 0.000 0.187 386 D C -0.253 176.200 176.300 0.255 0.000 1.247 386 D CA 1.054 55.165 54.000 0.186 0.000 0.671 386 D CB -0.797 40.070 40.800 0.112 0.000 1.061 386 D HN 0.670 nan 8.370 nan 0.000 0.511 387 F N -1.709 118.245 119.950 0.007 0.000 2.861 387 F HA -0.310 4.217 4.527 -0.000 0.000 0.230 387 F C 0.954 176.755 175.800 0.002 0.000 1.020 387 F CA 0.371 58.370 58.000 -0.003 0.000 0.852 387 F CB -0.848 38.149 39.000 -0.005 0.000 0.724 387 F HN 0.206 nan 8.300 nan 0.000 0.843 388 M N 1.120 120.762 119.600 0.070 0.000 2.080 388 M HA 0.313 4.793 4.480 -0.000 0.000 0.350 388 M C -2.166 174.143 176.300 0.014 0.000 1.173 388 M CA -1.708 53.618 55.300 0.044 0.000 1.052 388 M CB 0.620 33.232 32.600 0.021 0.000 1.577 388 M HN -0.215 nan 8.290 nan 0.000 0.455 389 P HA 0.038 nan 4.420 nan 0.000 0.264 389 P C -0.811 176.490 177.300 0.001 0.000 1.193 389 P CA 0.311 63.422 63.100 0.019 0.000 0.763 389 P CB 0.407 32.126 31.700 0.032 0.000 0.810 390 D N 1.439 121.837 120.400 -0.002 0.000 2.256 390 D HA 0.231 4.871 4.640 -0.000 0.000 0.240 390 D C -0.474 175.826 176.300 -0.001 0.000 1.062 390 D CA -0.208 53.787 54.000 -0.009 0.000 0.832 390 D CB 0.557 41.345 40.800 -0.018 0.000 1.135 390 D HN 0.111 nan 8.370 nan 0.000 0.484 391 T N 2.055 116.606 114.554 -0.005 0.000 2.851 391 T HA 0.645 4.995 4.350 -0.000 0.000 0.298 391 T C 0.301 175.000 174.700 -0.002 0.000 0.977 391 T CA -0.210 61.891 62.100 0.002 0.000 1.126 391 T CB 0.997 69.862 68.868 -0.006 0.000 0.916 391 T HN 0.523 nan 8.240 nan 0.000 0.529 392 G N 1.717 110.517 108.800 0.001 0.000 2.322 392 G HA2 0.481 4.441 3.960 -0.000 0.000 0.295 392 G HA3 0.481 4.441 3.960 -0.000 0.000 0.295 392 G C -1.331 173.559 174.900 -0.017 0.000 1.369 392 G CA -0.816 44.277 45.100 -0.012 0.000 0.821 392 G HN 0.588 nan 8.290 nan 0.000 0.536 393 T N 1.081 115.616 114.554 -0.032 0.000 2.792 393 T HA 0.550 4.900 4.350 -0.000 0.000 0.280 393 T C 0.387 175.071 174.700 -0.027 0.000 0.990 393 T CA -0.209 61.867 62.100 -0.041 0.000 0.960 393 T CB 1.081 69.915 68.868 -0.057 0.000 0.939 393 T HN 0.506 nan 8.240 nan 0.000 0.439 394 I N 3.942 124.491 120.570 -0.036 0.000 2.556 394 I HA 0.164 4.334 4.170 -0.000 0.000 0.284 394 I C 1.682 177.826 176.117 0.045 0.000 1.114 394 I CA -0.138 61.159 61.300 -0.006 0.000 1.418 394 I CB 0.660 38.638 38.000 -0.037 0.000 1.394 394 I HN 0.738 nan 8.210 nan 0.000 0.552 395 I N 3.099 123.723 120.570 0.090 0.000 3.228 395 I HA 0.491 4.661 4.170 -0.000 0.000 0.279 395 I C 0.767 176.933 176.117 0.082 0.000 1.221 395 I CA 0.286 61.680 61.300 0.156 0.000 1.458 395 I CB 0.270 38.404 38.000 0.224 0.000 1.105 395 I HN 0.555 nan 8.210 nan 0.000 0.445 396 A N 0.186 123.050 122.820 0.074 0.000 2.577 396 A HA 0.625 4.945 4.320 -0.000 0.000 0.297 396 A C -1.967 175.695 177.584 0.131 0.000 1.060 396 A CA -0.366 51.718 52.037 0.077 0.000 0.697 396 A CB 0.703 19.727 19.000 0.040 0.000 1.281 396 A HN 0.321 nan 8.150 nan 0.000 0.402 397 Y N 1.374 121.678 120.300 0.007 0.000 2.442 397 Y HA 0.792 5.342 4.550 -0.000 0.000 0.344 397 Y C -0.408 175.508 175.900 0.027 0.000 0.976 397 Y CA -0.623 57.486 58.100 0.016 0.000 1.040 397 Y CB 1.768 40.242 38.460 0.023 0.000 1.228 397 Y HN 0.709 nan 8.280 nan 0.000 0.451 398 R N 4.183 124.269 120.500 -0.690 0.000 2.500 398 R HA 0.406 4.746 4.340 -0.000 0.000 0.299 398 R C -0.620 175.289 176.300 -0.650 0.000 1.038 398 R CA -0.569 55.212 56.100 -0.532 0.000 0.903 398 R CB 2.020 32.183 30.300 -0.228 0.000 1.177 398 R HN 0.729 nan 8.270 nan 0.000 0.455 399 S N 0.297 115.671 115.700 -0.544 0.000 2.602 399 S HA 0.324 4.794 4.470 -0.000 0.000 0.257 399 S C 0.450 174.969 174.600 -0.135 0.000 1.250 399 S CA -0.271 57.756 58.200 -0.289 0.000 0.986 399 S CB 0.955 64.121 63.200 -0.056 0.000 1.040 399 S HN 0.552 nan 8.310 nan 0.000 0.562 400 S N -1.299 114.371 115.700 -0.050 0.000 4.149 400 S HA 0.829 5.299 4.470 -0.000 0.000 0.195 400 S C 0.223 174.825 174.600 0.002 0.000 1.092 400 S CA 0.047 58.232 58.200 -0.025 0.000 1.650 400 S CB 0.525 63.715 63.200 -0.015 0.000 1.076 400 S HN 1.275 nan 8.310 nan 0.000 0.805 401 G N -0.887 107.922 108.800 0.016 0.000 2.459 401 G HA2 0.484 4.444 3.960 -0.000 0.000 0.685 401 G HA3 0.484 4.444 3.960 -0.000 0.000 0.685 401 G C -0.238 174.684 174.900 0.036 0.000 1.303 401 G CA -0.339 44.779 45.100 0.029 0.000 0.907 401 G HN 1.735 nan 8.290 nan 0.000 0.632 402 G N -1.349 107.484 108.800 0.055 0.000 2.353 402 G HA2 0.518 4.478 3.960 -0.000 0.000 0.424 402 G HA3 0.518 4.478 3.960 -0.000 0.000 0.424 402 G C -0.349 174.628 174.900 0.128 0.000 1.320 402 G CA 0.008 45.161 45.100 0.088 0.000 0.995 402 G HN 2.048 nan 8.290 nan 0.000 0.580 403 F N 2.088 122.049 119.950 0.019 0.000 2.571 403 F HA 0.400 4.927 4.527 -0.000 0.000 0.384 403 F C 1.400 177.225 175.800 0.043 0.000 1.058 403 F CA 1.491 59.507 58.000 0.026 0.000 1.200 403 F CB 0.339 39.346 39.000 0.011 0.000 1.077 403 F HN 2.021 nan 8.300 nan 0.000 0.558 404 G N 5.195 113.688 108.800 -0.513 0.000 2.352 404 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.283 404 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.283 404 G C -0.927 173.873 174.900 -0.166 0.000 0.946 404 G CA 0.228 45.077 45.100 -0.418 0.000 1.317 404 G HN 0.875 nan 8.290 nan 0.000 0.478 405 V N 1.777 121.646 119.914 -0.076 0.000 2.380 405 V HA 0.401 4.521 4.120 -0.000 0.000 0.272 405 V C 0.510 176.599 176.094 -0.008 0.000 1.011 405 V CA -1.096 61.188 62.300 -0.026 0.000 0.826 405 V CB 1.268 33.089 31.823 -0.003 0.000 1.040 405 V HN 0.594 nan 8.190 nan 0.000 0.441 406 R N 3.738 124.230 120.500 -0.012 0.000 2.389 406 R HA 0.516 4.856 4.340 -0.000 0.000 0.295 406 R C -0.550 175.762 176.300 0.020 0.000 1.075 406 R CA 0.040 56.140 56.100 -0.001 0.000 1.005 406 R CB 0.488 30.775 30.300 -0.021 0.000 0.987 406 R HN 0.672 nan 8.270 nan 0.000 0.452 407 L N 4.299 125.547 121.223 0.042 0.000 2.732 407 L HA 0.286 4.626 4.340 -0.000 0.000 0.246 407 L C -0.656 176.264 176.870 0.082 0.000 1.407 407 L CA -0.299 54.585 54.840 0.072 0.000 0.861 407 L CB 1.116 43.233 42.059 0.098 0.000 1.161 407 L HN 0.556 nan 8.230 nan 0.000 0.510 408 D N 2.986 123.424 120.400 0.063 0.000 2.422 408 D HA 0.105 4.745 4.640 -0.000 0.000 0.263 408 D C 0.534 176.883 176.300 0.081 0.000 1.334 408 D CA 0.294 54.333 54.000 0.066 0.000 1.105 408 D CB 0.887 41.723 40.800 0.060 0.000 1.107 408 D HN 0.356 nan 8.370 nan 0.000 0.522 409 A N 1.693 124.564 122.820 0.083 0.000 2.320 409 A HA 0.561 4.881 4.320 -0.000 0.000 0.287 409 A C 1.141 178.767 177.584 0.071 0.000 1.181 409 A CA -0.223 51.865 52.037 0.085 0.000 0.831 409 A CB 1.267 20.313 19.000 0.077 0.000 1.102 409 A HN 0.486 nan 8.150 nan 0.000 0.513 410 G N 0.334 109.189 108.800 0.092 0.000 2.598 410 G HA2 0.071 4.031 3.960 -0.000 0.000 0.225 410 G HA3 0.071 4.031 3.960 -0.000 0.000 0.225 410 G C 0.673 175.694 174.900 0.203 0.000 1.631 410 G CA 0.513 45.674 45.100 0.102 0.000 0.821 410 G HN 0.608 nan 8.290 nan 0.000 0.610 411 D N 0.945 121.431 120.400 0.143 0.000 2.289 411 D HA 0.050 4.690 4.640 -0.000 0.000 0.207 411 D C 1.192 177.457 176.300 -0.059 0.000 0.966 411 D CA 0.503 54.568 54.000 0.108 0.000 0.868 411 D CB 0.309 41.140 40.800 0.051 0.000 0.943 411 D HN 0.244 nan 8.370 nan 0.000 0.514 412 G N 0.290 109.054 108.800 -0.061 0.000 2.428 412 G HA2 0.422 4.382 3.960 -0.000 0.000 0.320 412 G HA3 0.422 4.382 3.960 -0.000 0.000 0.320 412 G C -0.130 174.391 174.900 -0.633 0.000 1.098 412 G CA -0.481 44.442 45.100 -0.295 0.000 0.984 412 G HN 0.120 nan 8.290 nan 0.000 0.444 413 F N 0.043 119.661 119.950 -0.552 0.000 1.832 413 F HA 0.455 4.982 4.527 -0.000 0.000 0.236 413 F C 1.030 176.720 175.800 -0.184 0.000 1.180 413 F CA -0.407 57.242 58.000 -0.585 0.000 1.297 413 F CB 0.275 39.106 39.000 -0.282 0.000 1.748 413 F HN 0.292 nan 8.300 nan 0.000 0.453 414 Q N 0.939 120.632 119.800 -0.178 0.000 3.071 414 Q HA 0.462 4.802 4.340 -0.000 0.000 0.204 414 Q C 0.394 176.332 176.000 -0.104 0.000 1.165 414 Q CA 0.206 56.016 55.803 0.011 0.000 0.372 414 Q CB 0.280 29.132 28.738 0.189 0.000 5.650 414 Q HN 0.446 nan 8.270 nan 0.000 0.309 415 G N 0.317 109.086 108.800 -0.053 0.000 4.420 415 G HA2 0.491 4.451 3.960 -0.000 0.000 0.299 415 G HA3 0.491 4.451 3.960 -0.000 0.000 0.299 415 G C -0.610 174.243 174.900 -0.078 0.000 1.343 415 G CA -0.025 45.052 45.100 -0.038 0.000 1.272 415 G HN 0.355 nan 8.290 nan 0.000 0.610 416 A N 1.612 124.291 122.820 -0.234 0.000 2.274 416 A HA 0.583 4.903 4.320 -0.000 0.000 0.309 416 A C 0.648 178.142 177.584 -0.150 0.000 1.226 416 A CA -0.651 51.268 52.037 -0.198 0.000 0.853 416 A CB 0.548 19.330 19.000 -0.362 0.000 1.146 416 A HN 0.492 nan 8.150 nan 0.000 0.518 417 E N 2.849 123.022 120.200 -0.045 0.000 2.392 417 E HA 0.250 4.600 4.350 -0.000 0.000 0.264 417 E C -0.360 176.250 176.600 0.017 0.000 1.024 417 E CA -0.076 56.318 56.400 -0.011 0.000 0.903 417 E CB 0.556 30.269 29.700 0.022 0.000 0.963 417 E HN 0.632 nan 8.360 nan 0.000 0.432 418 I N -1.075 119.512 120.570 0.027 0.000 2.525 418 I HA 0.457 4.627 4.170 -0.000 0.000 0.301 418 I C -0.108 176.087 176.117 0.131 0.000 0.992 418 I CA -0.885 60.461 61.300 0.077 0.000 1.162 418 I CB 2.090 40.122 38.000 0.054 0.000 1.332 418 I HN 0.326 nan 8.210 nan 0.000 0.458 419 S N 4.400 120.239 115.700 0.232 0.000 2.541 419 S HA 0.511 4.981 4.470 -0.000 0.000 0.283 419 S C -1.408 173.317 174.600 0.207 0.000 1.196 419 S CA -1.571 56.794 58.200 0.275 0.000 1.062 419 S CB 1.030 64.520 63.200 0.483 0.000 1.009 419 S HN 0.691 nan 8.310 nan 0.000 0.502 420 P HA -0.047 nan 4.420 nan 0.000 0.230 420 P C 0.518 177.764 177.300 -0.090 0.000 1.158 420 P CA 0.945 64.016 63.100 -0.047 0.000 0.769 420 P CB -0.052 31.550 31.700 -0.165 0.000 0.807 421 Y N -1.233 119.052 120.300 -0.025 0.000 2.373 421 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 421 Y C 1.062 176.805 175.900 -0.262 0.000 1.129 421 Y CA 0.457 58.442 58.100 -0.193 0.000 1.226 421 Y CB -0.388 37.861 38.460 -0.352 0.000 1.000 421 Y HN -0.091 nan 8.280 nan 0.000 0.549 422 Y N 0.179 120.619 120.300 0.233 0.000 2.387 422 Y HA 0.180 4.730 4.550 -0.000 0.000 0.330 422 Y C 0.139 176.095 175.900 0.093 0.000 1.133 422 Y CA -1.904 56.299 58.100 0.171 0.000 1.152 422 Y CB 0.452 39.018 38.460 0.178 0.000 1.215 422 Y HN -0.140 nan 8.280 nan 0.000 0.466 423 D N 1.176 121.699 120.400 0.206 0.000 2.554 423 D HA -0.051 4.589 4.640 -0.000 0.000 0.251 423 D C 0.383 176.765 176.300 0.136 0.000 1.213 423 D CA 0.331 54.401 54.000 0.117 0.000 0.900 423 D CB 0.444 41.278 40.800 0.056 0.000 1.135 423 D HN 0.572 nan 8.370 nan 0.000 0.522 424 S N 2.371 118.139 115.700 0.113 0.000 3.593 424 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 424 S C 0.513 175.163 174.600 0.083 0.000 1.333 424 S CA -0.770 57.491 58.200 0.102 0.000 1.164 424 S CB -0.463 62.785 63.200 0.079 0.000 1.281 424 S HN 0.369 nan 8.310 nan 0.000 0.457 425 L N 2.131 123.406 121.223 0.087 0.000 2.565 425 L HA 0.275 4.615 4.340 -0.000 0.000 0.275 425 L C 0.822 177.737 176.870 0.076 0.000 1.137 425 L CA 0.030 54.918 54.840 0.079 0.000 0.915 425 L CB 0.036 42.146 42.059 0.085 0.000 1.232 425 L HN 0.450 nan 8.230 nan 0.000 0.473 426 L N 4.877 126.142 121.223 0.070 0.000 1.982 426 L HA 0.076 4.416 4.340 -0.000 0.000 0.206 426 L C 0.056 176.978 176.870 0.087 0.000 1.078 426 L CA 0.654 55.535 54.840 0.068 0.000 0.749 426 L CB -0.174 41.925 42.059 0.068 0.000 0.894 426 L HN 0.437 nan 8.230 nan 0.000 0.436 427 V N -1.163 118.808 119.914 0.095 0.000 2.808 427 V HA 0.297 4.417 4.120 -0.000 0.000 0.308 427 V C -0.676 175.465 176.094 0.079 0.000 1.099 427 V CA -1.200 61.163 62.300 0.106 0.000 0.920 427 V CB 1.826 33.741 31.823 0.153 0.000 1.014 427 V HN 0.072 nan 8.190 nan 0.000 0.425 428 K N 2.704 123.147 120.400 0.071 0.000 2.205 428 K HA 0.650 4.970 4.320 -0.000 0.000 0.279 428 K C -1.322 175.302 176.600 0.041 0.000 1.027 428 K CA -0.686 55.629 56.287 0.046 0.000 0.932 428 K CB 1.584 34.106 32.500 0.037 0.000 1.032 428 K HN 0.421 nan 8.250 nan 0.000 0.466 429 L N 2.117 123.354 121.223 0.023 0.000 2.406 429 L HA 0.319 4.659 4.340 -0.000 0.000 0.270 429 L C -1.334 175.539 176.870 0.006 0.000 0.982 429 L CA -0.076 54.774 54.840 0.017 0.000 0.843 429 L CB 1.651 43.718 42.059 0.013 0.000 1.225 429 L HN 0.457 nan 8.230 nan 0.000 0.412 430 S N 2.145 117.847 115.700 0.003 0.000 2.500 430 S HA 0.891 5.361 4.470 -0.000 0.000 0.301 430 S C -0.286 174.318 174.600 0.006 0.000 1.092 430 S CA -0.597 57.604 58.200 0.003 0.000 1.030 430 S CB 1.782 64.970 63.200 -0.020 0.000 1.031 430 S HN 0.740 nan 8.310 nan 0.000 0.483 431 T N -0.388 114.183 114.554 0.029 0.000 2.916 431 T HA 0.761 5.111 4.350 -0.000 0.000 0.292 431 T C -1.232 173.526 174.700 0.096 0.000 1.064 431 T CA -0.721 61.397 62.100 0.030 0.000 1.011 431 T CB 1.706 70.585 68.868 0.020 0.000 1.152 431 T HN 0.719 nan 8.240 nan 0.000 0.510 432 H N -0.305 118.715 119.070 -0.084 0.000 3.026 432 H HA 0.728 5.284 4.556 -0.000 0.000 0.352 432 H C -1.284 174.007 175.328 -0.061 0.000 1.090 432 H CA 0.192 56.194 56.048 -0.075 0.000 1.268 432 H CB 1.338 31.010 29.762 -0.151 0.000 1.816 432 H HN 1.188 nan 8.280 nan 0.000 0.518 433 A N 3.630 126.224 122.820 -0.378 0.000 2.608 433 A HA 0.394 4.714 4.320 -0.000 0.000 0.292 433 A C 0.397 177.937 177.584 -0.073 0.000 1.066 433 A CA -0.282 51.635 52.037 -0.201 0.000 0.676 433 A CB 0.128 19.147 19.000 0.033 0.000 1.277 433 A HN 0.650 nan 8.150 nan 0.000 0.413 434 I N -0.480 120.091 120.570 0.000 0.000 2.361 434 I HA 0.034 4.204 4.170 -0.000 0.000 0.251 434 I C 1.085 177.337 176.117 0.224 0.000 1.133 434 I CA 1.654 62.998 61.300 0.073 0.000 1.413 434 I CB -0.539 37.491 38.000 0.049 0.000 1.073 434 I HN 0.395 nan 8.210 nan 0.000 0.424 435 S N -0.459 115.361 115.700 0.200 0.000 2.525 435 S HA 0.374 4.843 4.470 -0.000 0.000 0.290 435 S C 0.575 175.317 174.600 0.237 0.000 1.152 435 S CA -0.749 57.579 58.200 0.213 0.000 1.072 435 S CB 0.596 63.857 63.200 0.102 0.000 1.027 435 S HN 0.261 nan 8.310 nan 0.000 0.500 436 F N 4.214 124.092 119.950 -0.119 0.000 2.146 436 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 436 F C 1.773 177.513 175.800 -0.100 0.000 1.096 436 F CA 1.616 59.465 58.000 -0.251 0.000 1.275 436 F CB -0.473 38.180 39.000 -0.578 0.000 1.008 436 F HN 0.619 nan 8.300 nan 0.000 0.480 437 K N 0.097 120.447 120.400 -0.084 0.000 2.103 437 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 437 K C 2.089 178.637 176.600 -0.086 0.000 1.048 437 K CA 1.703 57.916 56.287 -0.123 0.000 0.930 437 K CB -0.441 32.031 32.500 -0.046 0.000 0.716 437 K HN 0.374 nan 8.250 nan 0.000 0.444 438 Q N -0.510 119.279 119.800 -0.018 0.000 2.172 438 Q HA 0.033 4.373 4.340 -0.000 0.000 0.200 438 Q C 2.073 178.077 176.000 0.006 0.000 0.964 438 Q CA 1.112 56.920 55.803 0.008 0.000 0.855 438 Q CB -0.003 28.762 28.738 0.044 0.000 0.918 438 Q HN 0.385 nan 8.270 nan 0.000 0.444 439 A N 0.671 123.497 122.820 0.009 0.000 2.014 439 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 439 A C 1.732 179.279 177.584 -0.060 0.000 1.163 439 A CA 0.996 53.043 52.037 0.018 0.000 0.652 439 A CB -0.166 18.910 19.000 0.126 0.000 0.808 439 A HN 0.288 nan 8.150 nan 0.000 0.449 440 E N 0.192 120.289 120.200 -0.172 0.000 2.015 440 E HA -0.213 4.137 4.350 -0.000 0.000 0.191 440 E C 2.065 178.602 176.600 -0.105 0.000 0.991 440 E CA 1.388 57.670 56.400 -0.196 0.000 0.802 440 E CB -0.157 29.372 29.700 -0.285 0.000 0.759 440 E HN 0.853 nan 8.360 nan 0.000 0.447 441 E N 0.627 120.779 120.200 -0.080 0.000 2.265 441 E HA -0.221 4.129 4.350 -0.000 0.000 0.196 441 E C 1.854 178.437 176.600 -0.028 0.000 0.996 441 E CA 0.889 57.260 56.400 -0.049 0.000 0.832 441 E CB -0.056 29.623 29.700 -0.035 0.000 0.756 441 E HN 0.061 nan 8.360 nan 0.000 0.491 442 K N 0.031 120.420 120.400 -0.018 0.000 2.062 442 K HA -0.085 4.235 4.320 -0.000 0.000 0.205 442 K C 2.094 178.686 176.600 -0.013 0.000 1.051 442 K CA 1.362 57.650 56.287 0.001 0.000 0.941 442 K CB -0.031 32.480 32.500 0.018 0.000 0.719 442 K HN 0.082 nan 8.250 nan 0.000 0.440 443 M N 0.266 119.848 119.600 -0.029 0.000 2.156 443 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 443 M C 1.655 177.923 176.300 -0.054 0.000 1.067 443 M CA 1.343 56.620 55.300 -0.039 0.000 1.131 443 M CB 0.045 32.615 32.600 -0.050 0.000 1.368 443 M HN -0.089 nan 8.290 nan 0.000 0.416 444 V N 0.525 120.402 119.914 -0.062 0.000 2.255 444 V HA -0.291 3.829 4.120 -0.000 0.000 0.247 444 V C 2.683 178.749 176.094 -0.047 0.000 1.051 444 V CA 2.211 64.472 62.300 -0.064 0.000 1.018 444 V CB -0.925 30.861 31.823 -0.063 0.000 0.641 444 V HN 0.511 nan 8.190 nan 0.000 0.445 445 R N 0.010 120.490 120.500 -0.034 0.000 2.081 445 R HA -0.139 4.201 4.340 -0.000 0.000 0.235 445 R C 2.468 178.752 176.300 -0.026 0.000 1.131 445 R CA 1.997 58.081 56.100 -0.025 0.000 0.960 445 R CB -0.501 29.791 30.300 -0.014 0.000 0.856 445 R HN 0.538 nan 8.270 nan 0.000 0.436 446 S N 1.251 116.937 115.700 -0.024 0.000 2.370 446 S HA -0.108 4.362 4.470 -0.000 0.000 0.226 446 S C 1.998 176.578 174.600 -0.034 0.000 1.033 446 S CA 1.127 59.312 58.200 -0.024 0.000 1.011 446 S CB -0.188 63.002 63.200 -0.016 0.000 0.852 446 S HN 0.294 nan 8.310 nan 0.000 0.457 447 L N 0.734 121.932 121.223 -0.042 0.000 2.131 447 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 447 L C 2.632 179.474 176.870 -0.046 0.000 1.092 447 L CA 1.133 55.944 54.840 -0.049 0.000 0.759 447 L CB -0.309 41.709 42.059 -0.069 0.000 0.903 447 L HN 0.216 nan 8.230 nan 0.000 0.435 448 R N -0.422 120.052 120.500 -0.044 0.000 2.153 448 R HA -0.069 4.271 4.340 -0.000 0.000 0.218 448 R C 1.839 178.115 176.300 -0.039 0.000 1.072 448 R CA 0.633 56.709 56.100 -0.039 0.000 0.990 448 R CB 0.003 30.282 30.300 -0.035 0.000 0.889 448 R HN 0.422 nan 8.270 nan 0.000 0.452 449 E N -0.078 120.097 120.200 -0.041 0.000 2.371 449 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 449 E C 0.296 176.856 176.600 -0.067 0.000 1.012 449 E CA 0.121 56.493 56.400 -0.048 0.000 0.860 449 E CB 0.262 29.937 29.700 -0.043 0.000 0.811 449 E HN 0.119 nan 8.360 nan 0.000 0.502 450 M N 0.838 120.398 119.600 -0.065 0.000 2.249 450 M HA 0.103 4.583 4.480 -0.000 0.000 0.340 450 M C 0.023 176.278 176.300 -0.075 0.000 1.166 450 M CA 0.921 56.172 55.300 -0.081 0.000 1.115 450 M CB 0.472 33.042 32.600 -0.049 0.000 1.606 450 M HN -0.174 nan 8.290 nan 0.000 0.448 451 R N 3.023 123.465 120.500 -0.098 0.000 2.539 451 R HA 0.584 4.924 4.340 -0.000 0.000 0.295 451 R C -1.436 174.843 176.300 -0.035 0.000 1.138 451 R CA -0.226 55.837 56.100 -0.062 0.000 0.936 451 R CB 1.340 31.601 30.300 -0.064 0.000 1.182 451 R HN 0.616 nan 8.270 nan 0.000 0.459 452 I N 2.653 123.225 120.570 0.004 0.000 2.447 452 I HA 0.535 4.705 4.170 -0.000 0.000 0.287 452 I C 0.029 176.162 176.117 0.026 0.000 1.023 452 I CA -0.785 60.541 61.300 0.043 0.000 1.083 452 I CB 1.969 40.009 38.000 0.066 0.000 1.245 452 I HN 0.335 nan 8.210 nan 0.000 0.434 453 R N 2.725 123.246 120.500 0.034 0.000 2.939 453 R HA 0.806 5.146 4.340 -0.000 0.000 0.254 453 R C 0.793 177.112 176.300 0.031 0.000 1.123 453 R CA -0.235 55.882 56.100 0.027 0.000 1.020 453 R CB 1.614 31.932 30.300 0.030 0.000 1.206 453 R HN 0.842 nan 8.270 nan 0.000 0.491 454 G N -0.117 108.699 108.800 0.028 0.000 4.526 454 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 454 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 454 G C -0.017 174.885 174.900 0.003 0.000 1.428 454 G CA 0.189 45.301 45.100 0.021 0.000 0.928 454 G HN 0.669 nan 8.290 nan 0.000 0.639 455 V N -0.989 118.925 119.914 0.000 0.000 2.743 455 V HA 0.854 4.974 4.120 -0.000 0.000 0.301 455 V C -0.115 175.969 176.094 -0.017 0.000 1.057 455 V CA -0.875 61.418 62.300 -0.012 0.000 1.006 455 V CB 1.623 33.439 31.823 -0.012 0.000 1.024 455 V HN 0.465 nan 8.190 nan 0.000 0.473 456 K N 2.961 123.341 120.400 -0.034 0.000 2.334 456 K HA 0.524 4.843 4.320 -0.000 0.000 0.265 456 K C 0.279 176.839 176.600 -0.067 0.000 1.039 456 K CA -0.133 56.128 56.287 -0.044 0.000 0.920 456 K CB 1.256 33.727 32.500 -0.047 0.000 1.160 456 K HN 1.044 nan 8.250 nan 0.000 0.451 457 T N -1.283 113.239 114.554 -0.053 0.000 2.862 457 T HA 0.150 4.500 4.350 -0.000 0.000 0.276 457 T C 0.831 175.488 174.700 -0.072 0.000 0.974 457 T CA -0.902 61.163 62.100 -0.058 0.000 0.966 457 T CB 0.640 69.497 68.868 -0.019 0.000 1.072 457 T HN 0.496 nan 8.240 nan 0.000 0.538 458 N N -0.227 118.440 118.700 -0.054 0.000 2.515 458 N HA 0.084 4.824 4.740 -0.000 0.000 0.191 458 N C 1.341 176.894 175.510 0.072 0.000 1.182 458 N CA 0.124 53.182 53.050 0.013 0.000 0.879 458 N CB -0.861 37.687 38.487 0.102 0.000 0.984 458 N HN 0.633 nan 8.380 nan 0.000 0.453 459 I N 1.186 121.760 120.570 0.007 0.000 2.069 459 I HA -0.232 3.938 4.170 -0.000 0.000 0.237 459 I C -0.431 175.667 176.117 -0.031 0.000 1.053 459 I CA 1.465 62.752 61.300 -0.022 0.000 1.311 459 I CB -1.363 36.622 38.000 -0.025 0.000 1.030 459 I HN 0.137 nan 8.210 nan 0.000 0.398 460 P HA -0.239 nan 4.420 nan 0.000 0.216 460 P C 1.779 179.085 177.300 0.011 0.000 1.150 460 P CA 1.672 64.766 63.100 -0.009 0.000 0.837 460 P CB -0.337 31.363 31.700 -0.001 0.000 0.786 461 F N 1.671 121.545 119.950 -0.127 0.000 2.043 461 F HA -0.200 4.327 4.527 -0.000 0.000 0.297 461 F C 2.137 177.857 175.800 -0.134 0.000 1.121 461 F CA 1.460 59.364 58.000 -0.160 0.000 1.199 461 F CB -1.439 37.430 39.000 -0.219 0.000 0.968 461 F HN -0.283 nan 8.300 nan 0.000 0.478 462 L N 0.003 120.905 121.223 -0.535 0.000 2.131 462 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 462 L C 2.566 179.195 176.870 -0.402 0.000 1.092 462 L CA 1.324 55.783 54.840 -0.634 0.000 0.759 462 L CB -0.760 41.069 42.059 -0.384 0.000 0.903 462 L HN 0.246 nan 8.230 nan 0.000 0.435 463 I N 0.024 120.448 120.570 -0.244 0.000 2.226 463 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 463 I C 2.102 178.120 176.117 -0.166 0.000 1.100 463 I CA 1.065 62.262 61.300 -0.171 0.000 1.374 463 I CB -0.379 37.559 38.000 -0.103 0.000 1.057 463 I HN 0.322 nan 8.210 nan 0.000 0.413 464 N N 0.516 119.123 118.700 -0.154 0.000 2.166 464 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 464 N C 1.847 177.275 175.510 -0.137 0.000 1.019 464 N CA 1.149 54.138 53.050 -0.103 0.000 0.856 464 N CB -0.573 37.890 38.487 -0.040 0.000 0.993 464 N HN 0.182 nan 8.380 nan 0.000 0.426 465 V N 0.762 120.510 119.914 -0.277 0.000 2.515 465 V HA -0.122 3.998 4.120 -0.000 0.000 0.250 465 V C 2.129 177.944 176.094 -0.464 0.000 1.058 465 V CA 1.145 63.229 62.300 -0.361 0.000 1.064 465 V CB -0.402 31.064 31.823 -0.596 0.000 0.675 465 V HN 0.277 nan 8.190 nan 0.000 0.461 466 M N -0.681 118.697 119.600 -0.370 0.000 2.419 466 M HA 0.054 4.534 4.480 -0.000 0.000 0.264 466 M C 1.132 177.373 176.300 -0.097 0.000 1.082 466 M CA 1.113 56.262 55.300 -0.252 0.000 1.119 466 M CB -0.501 31.972 32.600 -0.212 0.000 1.398 466 M HN 0.195 nan 8.290 nan 0.000 0.453 467 K N 1.395 121.748 120.400 -0.080 0.000 2.969 467 K HA 0.214 4.534 4.320 -0.000 0.000 0.222 467 K C -0.250 176.363 176.600 0.022 0.000 1.172 467 K CA -0.028 56.244 56.287 -0.026 0.000 1.192 467 K CB -0.359 32.121 32.500 -0.033 0.000 1.111 467 K HN 0.228 nan 8.250 nan 0.000 0.457 468 N N 1.388 120.133 118.700 0.074 0.000 2.443 468 N HA 0.126 4.866 4.740 -0.000 0.000 0.269 468 N C 0.398 176.021 175.510 0.187 0.000 0.985 468 N CA -0.124 53.019 53.050 0.155 0.000 0.921 468 N CB 1.101 39.739 38.487 0.251 0.000 1.195 468 N HN -0.034 nan 8.380 nan 0.000 0.492 469 K N 2.072 122.559 120.400 0.146 0.000 2.147 469 K HA -0.090 4.230 4.320 -0.000 0.000 0.205 469 K C 1.114 177.805 176.600 0.153 0.000 1.049 469 K CA 1.232 57.593 56.287 0.122 0.000 0.936 469 K CB 0.296 32.850 32.500 0.092 0.000 0.722 469 K HN 0.496 nan 8.250 nan 0.000 0.446 470 K N -0.508 120.025 120.400 0.221 0.000 2.400 470 K HA -0.016 4.304 4.320 -0.000 0.000 0.194 470 K C 1.583 178.315 176.600 0.221 0.000 1.033 470 K CA 0.364 56.798 56.287 0.245 0.000 1.021 470 K CB 0.124 32.833 32.500 0.347 0.000 0.808 470 K HN 0.089 nan 8.250 nan 0.000 0.505 471 F N 1.300 121.262 119.950 0.019 0.000 2.219 471 F HA -0.110 4.417 4.527 -0.000 0.000 0.294 471 F C 2.040 177.936 175.800 0.161 0.000 1.086 471 F CA 1.108 59.028 58.000 -0.134 0.000 1.330 471 F CB 0.049 38.888 39.000 -0.268 0.000 1.047 471 F HN -0.148 nan 8.300 nan 0.000 0.495 472 T N -0.057 114.577 114.554 0.133 0.000 2.746 472 T HA -0.213 4.137 4.350 -0.000 0.000 0.267 472 T C 2.265 177.036 174.700 0.117 0.000 1.039 472 T CA 1.629 63.798 62.100 0.115 0.000 1.142 472 T CB -0.712 68.191 68.868 0.057 0.000 0.866 472 T HN 0.470 nan 8.240 nan 0.000 0.444 473 S N 0.789 116.533 115.700 0.074 0.000 2.365 473 S HA -0.008 4.462 4.470 -0.000 0.000 0.225 473 S C 2.117 176.693 174.600 -0.039 0.000 1.039 473 S CA 1.875 60.092 58.200 0.029 0.000 1.033 473 S CB -0.745 62.486 63.200 0.051 0.000 0.887 473 S HN 0.829 nan 8.310 nan 0.000 0.447 474 G N 0.704 109.474 108.800 -0.049 0.000 2.612 474 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.200 474 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.200 474 G C -0.454 174.278 174.900 -0.281 0.000 1.053 474 G CA 0.016 44.997 45.100 -0.198 0.000 0.707 474 G HN 0.539 nan 8.290 nan 0.000 0.497 475 D N 1.648 121.962 120.400 -0.142 0.000 2.422 475 D HA 0.575 5.215 4.640 -0.000 0.000 0.227 475 D C -0.301 175.983 176.300 -0.026 0.000 1.190 475 D CA 0.141 54.049 54.000 -0.154 0.000 0.905 475 D CB -0.114 40.645 40.800 -0.067 0.000 1.034 475 D HN 0.599 nan 8.370 nan 0.000 0.507 476 Y N -0.735 119.529 120.300 -0.061 0.000 2.492 476 Y HA 0.584 5.134 4.550 -0.000 0.000 0.346 476 Y C 0.290 176.219 175.900 0.048 0.000 0.997 476 Y CA -1.396 56.692 58.100 -0.020 0.000 1.025 476 Y CB 0.512 38.791 38.460 -0.302 0.000 1.263 476 Y HN 0.089 nan 8.280 nan 0.000 0.454 477 T N -2.468 112.262 114.554 0.293 0.000 2.824 477 T HA 0.210 4.559 4.350 -0.000 0.000 0.277 477 T C 1.040 175.916 174.700 0.293 0.000 0.975 477 T CA -0.004 62.225 62.100 0.216 0.000 0.966 477 T CB 1.009 69.979 68.868 0.169 0.000 1.054 477 T HN 0.883 nan 8.240 nan 0.000 0.533 478 T N -1.847 112.828 114.554 0.201 0.000 3.163 478 T HA 0.111 4.461 4.350 -0.000 0.000 0.260 478 T C 1.147 175.939 174.700 0.154 0.000 1.156 478 T CA 0.086 62.293 62.100 0.179 0.000 1.072 478 T CB -0.187 68.745 68.868 0.107 0.000 0.937 478 T HN 0.488 nan 8.240 nan 0.000 0.528 479 K N 0.037 120.540 120.400 0.172 0.000 2.358 479 K HA 0.284 4.604 4.320 -0.000 0.000 0.197 479 K C 1.180 177.883 176.600 0.172 0.000 1.025 479 K CA -0.318 56.045 56.287 0.127 0.000 1.104 479 K CB -0.324 32.227 32.500 0.085 0.000 0.855 479 K HN 0.411 nan 8.250 nan 0.000 0.531 480 F N 2.359 122.381 119.950 0.119 0.000 2.115 480 F HA -0.280 4.247 4.527 -0.000 0.000 0.300 480 F C 1.699 177.561 175.800 0.105 0.000 1.092 480 F CA 1.564 59.643 58.000 0.132 0.000 1.245 480 F CB -0.170 38.937 39.000 0.178 0.000 0.995 480 F HN -0.115 nan 8.300 nan 0.000 0.481 481 I N 0.243 120.803 120.570 -0.018 0.000 2.133 481 I HA -0.267 3.903 4.170 -0.000 0.000 0.238 481 I C 2.310 178.389 176.117 -0.063 0.000 1.074 481 I CA 1.793 63.042 61.300 -0.086 0.000 1.342 481 I CB -0.756 37.302 38.000 0.097 0.000 1.053 481 I HN 0.104 nan 8.210 nan 0.000 0.404 482 E N 1.069 121.257 120.200 -0.021 0.000 2.097 482 E HA -0.277 4.073 4.350 -0.000 0.000 0.196 482 E C 1.783 178.347 176.600 -0.060 0.000 1.000 482 E CA 1.670 58.045 56.400 -0.041 0.000 0.804 482 E CB -0.282 29.395 29.700 -0.039 0.000 0.740 482 E HN 0.647 nan 8.360 nan 0.000 0.454 483 E N 0.467 120.633 120.200 -0.057 0.000 2.502 483 E HA -0.011 4.339 4.350 -0.000 0.000 0.194 483 E C -0.152 176.398 176.600 -0.083 0.000 1.062 483 E CA 0.488 56.858 56.400 -0.050 0.000 0.867 483 E CB 0.292 29.987 29.700 -0.009 0.000 0.888 483 E HN -0.086 nan 8.360 nan 0.000 0.510 484 T N 3.398 117.864 114.554 -0.147 0.000 3.250 484 T HA 0.191 4.541 4.350 -0.000 0.000 0.391 484 T C -2.067 172.598 174.700 -0.058 0.000 1.502 484 T CA -1.421 60.582 62.100 -0.161 0.000 1.320 484 T CB 1.535 70.162 68.868 -0.400 0.000 1.102 484 T HN 0.066 nan 8.240 nan 0.000 0.610 485 P HA -0.085 nan 4.420 nan 0.000 0.225 485 P C 1.371 178.725 177.300 0.091 0.000 1.156 485 P CA 0.787 63.894 63.100 0.013 0.000 0.787 485 P CB 0.352 32.026 31.700 -0.044 0.000 0.802 486 E N -0.007 120.227 120.200 0.057 0.000 2.516 486 E HA -0.081 4.269 4.350 -0.000 0.000 0.199 486 E C 1.301 177.963 176.600 0.104 0.000 1.069 486 E CA 0.371 56.814 56.400 0.071 0.000 0.876 486 E CB -0.704 29.019 29.700 0.037 0.000 0.843 486 E HN 0.189 nan 8.360 nan 0.000 0.530 487 L N -0.313 120.996 121.223 0.144 0.000 2.492 487 L HA 0.096 4.436 4.340 -0.000 0.000 0.223 487 L C 1.191 178.163 176.870 0.171 0.000 1.132 487 L CA 0.818 55.767 54.840 0.181 0.000 0.850 487 L CB -0.446 41.740 42.059 0.212 0.000 0.966 487 L HN 0.033 nan 8.230 nan 0.000 0.454 488 F N -1.130 118.839 119.950 0.031 0.000 2.664 488 F HA 0.140 4.667 4.527 -0.000 0.000 0.301 488 F C 0.790 176.595 175.800 0.008 0.000 1.126 488 F CA -0.513 57.480 58.000 -0.011 0.000 1.373 488 F CB -0.186 38.782 39.000 -0.054 0.000 1.042 488 F HN -0.091 nan 8.300 nan 0.000 0.535 489 D N 1.440 121.926 120.400 0.143 0.000 2.339 489 D HA 0.254 4.893 4.640 -0.000 0.000 0.241 489 D C -0.342 175.992 176.300 0.056 0.000 1.183 489 D CA -0.017 54.035 54.000 0.087 0.000 0.859 489 D CB 0.456 41.296 40.800 0.067 0.000 1.067 489 D HN 0.014 nan 8.370 nan 0.000 0.484 490 I N 2.359 122.955 120.570 0.043 0.000 2.385 490 I HA 0.265 4.434 4.170 -0.000 0.000 0.294 490 I C 0.381 176.506 176.117 0.013 0.000 0.988 490 I CA -0.830 60.483 61.300 0.022 0.000 1.265 490 I CB 1.462 39.469 38.000 0.012 0.000 1.388 490 I HN 0.133 nan 8.210 nan 0.000 0.480 491 Q N 6.791 126.594 119.800 0.005 0.000 2.271 491 Q HA 0.463 4.803 4.340 -0.000 0.000 0.258 491 Q C -2.243 173.754 176.000 -0.004 0.000 0.936 491 Q CA -1.736 54.068 55.803 0.001 0.000 0.909 491 Q CB 1.335 30.071 28.738 -0.002 0.000 1.253 491 Q HN 0.364 nan 8.270 nan 0.000 0.440 492 P HA 0.045 nan 4.420 nan 0.000 0.241 492 P C -1.033 176.260 177.300 -0.011 0.000 1.760 492 P CA -0.155 62.939 63.100 -0.009 0.000 1.081 492 P CB -0.451 31.245 31.700 -0.008 0.000 1.975 493 S N 2.771 118.464 115.700 -0.013 0.000 2.423 493 S HA 0.212 4.682 4.470 -0.000 0.000 0.302 493 S C 0.225 174.816 174.600 -0.016 0.000 1.143 493 S CA -0.628 57.564 58.200 -0.014 0.000 1.080 493 S CB -0.340 62.851 63.200 -0.016 0.000 1.081 493 S HN 0.089 nan 8.310 nan 0.000 0.522 494 L N 3.277 124.491 121.223 -0.015 0.000 2.426 494 L HA 0.317 4.657 4.340 -0.000 0.000 0.271 494 L C 0.884 177.746 176.870 -0.015 0.000 1.169 494 L CA 0.317 55.147 54.840 -0.016 0.000 0.836 494 L CB 0.404 42.453 42.059 -0.016 0.000 1.112 494 L HN 0.653 nan 8.230 nan 0.000 0.465 495 D N 1.893 122.285 120.400 -0.014 0.000 2.505 495 D HA 0.169 4.809 4.640 -0.000 0.000 0.242 495 D C 0.912 177.207 176.300 -0.008 0.000 1.136 495 D CA -0.366 53.627 54.000 -0.013 0.000 0.954 495 D CB 0.609 41.401 40.800 -0.013 0.000 1.002 495 D HN 0.368 nan 8.370 nan 0.000 0.512 496 R N 0.936 121.431 120.500 -0.009 0.000 2.127 496 R HA -0.038 4.302 4.340 -0.000 0.000 0.238 496 R C 2.211 178.508 176.300 -0.006 0.000 1.134 496 R CA 1.183 57.282 56.100 -0.003 0.000 0.975 496 R CB -0.515 29.782 30.300 -0.005 0.000 0.865 496 R HN 0.346 nan 8.270 nan 0.000 0.447 497 G N 0.025 108.813 108.800 -0.020 0.000 2.433 497 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 497 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 497 G C 1.288 176.159 174.900 -0.048 0.000 1.186 497 G CA 1.345 46.420 45.100 -0.040 0.000 0.779 497 G HN 0.317 nan 8.290 nan 0.000 0.543 498 T N 0.889 115.426 114.554 -0.028 0.000 2.759 498 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 498 T C 2.290 177.006 174.700 0.025 0.000 1.042 498 T CA 1.509 63.601 62.100 -0.013 0.000 1.140 498 T CB -0.148 68.721 68.868 0.002 0.000 0.864 498 T HN 0.319 nan 8.240 nan 0.000 0.455 499 K N 0.759 121.187 120.400 0.046 0.000 2.097 499 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 499 K C 2.716 179.424 176.600 0.181 0.000 1.050 499 K CA 1.659 58.017 56.287 0.119 0.000 0.938 499 K CB -0.292 32.260 32.500 0.086 0.000 0.718 499 K HN 0.517 nan 8.250 nan 0.000 0.442 500 T N 0.074 114.678 114.554 0.083 0.000 2.942 500 T HA 0.030 4.380 4.350 -0.000 0.000 0.265 500 T C 2.015 176.733 174.700 0.030 0.000 1.062 500 T CA 0.397 62.543 62.100 0.076 0.000 1.139 500 T CB -0.282 68.595 68.868 0.014 0.000 0.883 500 T HN 0.030 nan 8.240 nan 0.000 0.468 501 L N 0.733 121.899 121.223 -0.095 0.000 2.083 501 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 501 L C 2.954 179.842 176.870 0.030 0.000 1.083 501 L CA 1.597 56.273 54.840 -0.274 0.000 0.752 501 L CB -0.567 41.220 42.059 -0.454 0.000 0.899 501 L HN 0.325 nan 8.230 nan 0.000 0.433 502 E N -0.967 119.302 120.200 0.117 0.000 2.106 502 E HA -0.244 4.106 4.350 -0.000 0.000 0.192 502 E C 1.988 178.696 176.600 0.181 0.000 0.984 502 E CA 1.182 57.702 56.400 0.200 0.000 0.806 502 E CB -0.099 29.751 29.700 0.251 0.000 0.750 502 E HN 0.435 nan 8.360 nan 0.000 0.458 503 Y N 1.202 121.502 120.300 0.001 0.000 2.114 503 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 503 Y C 2.001 177.784 175.900 -0.196 0.000 1.143 503 Y CA 1.587 59.460 58.100 -0.379 0.000 1.135 503 Y CB -0.145 38.042 38.460 -0.456 0.000 0.980 503 Y HN -0.074 nan 8.280 nan 0.000 0.499 504 I N 0.243 120.817 120.570 0.006 0.000 2.163 504 I HA -0.325 3.845 4.170 -0.000 0.000 0.243 504 I C 2.686 178.799 176.117 -0.007 0.000 1.085 504 I CA 1.623 62.925 61.300 0.005 0.000 1.347 504 I CB -1.057 37.031 38.000 0.147 0.000 1.044 504 I HN 0.436 nan 8.210 nan 0.000 0.408 505 G N 0.258 109.124 108.800 0.110 0.000 2.446 505 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.217 505 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.217 505 G C 1.417 176.306 174.900 -0.019 0.000 1.168 505 G CA 1.222 46.379 45.100 0.095 0.000 0.771 505 G HN 0.488 nan 8.290 nan 0.000 0.551 506 N N -0.283 118.366 118.700 -0.085 0.000 2.120 506 N HA -0.113 4.627 4.740 -0.000 0.000 0.188 506 N C 2.243 177.643 175.510 -0.184 0.000 1.024 506 N CA 1.217 54.196 53.050 -0.119 0.000 0.852 506 N CB -0.037 38.366 38.487 -0.139 0.000 1.003 506 N HN 0.186 nan 8.380 nan 0.000 0.424 507 V N 0.522 120.240 119.914 -0.327 0.000 2.379 507 V HA -0.150 3.970 4.120 -0.000 0.000 0.245 507 V C 2.235 178.264 176.094 -0.108 0.000 1.044 507 V CA 1.646 63.783 62.300 -0.271 0.000 1.036 507 V CB -0.719 30.840 31.823 -0.441 0.000 0.664 507 V HN 0.401 nan 8.190 nan 0.000 0.453 508 T N 0.581 115.091 114.554 -0.074 0.000 2.635 508 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 508 T C 1.783 176.483 174.700 -0.001 0.000 1.040 508 T CA 2.110 64.207 62.100 -0.005 0.000 1.156 508 T CB -0.259 68.614 68.868 0.008 0.000 0.863 508 T HN 0.356 nan 8.240 nan 0.000 0.430 509 I N 0.884 121.446 120.570 -0.014 0.000 2.277 509 I HA -0.050 4.120 4.170 -0.000 0.000 0.243 509 I C 2.103 178.220 176.117 -0.000 0.000 1.094 509 I CA 0.960 62.261 61.300 0.001 0.000 1.393 509 I CB -0.163 37.841 38.000 0.006 0.000 1.078 509 I HN 0.189 nan 8.210 nan 0.000 0.417 510 N N 0.527 119.214 118.700 -0.021 0.000 2.299 510 N HA 0.149 4.889 4.740 -0.000 0.000 0.187 510 N C 0.822 176.317 175.510 -0.024 0.000 1.099 510 N CA 0.830 53.868 53.050 -0.021 0.000 0.867 510 N CB 1.005 39.475 38.487 -0.029 0.000 0.974 510 N HN 0.417 nan 8.380 nan 0.000 0.477 511 G N 1.442 110.231 108.800 -0.020 0.000 2.741 511 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.222 511 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.222 511 G C -1.088 173.824 174.900 0.020 0.000 1.364 511 G CA -0.564 44.540 45.100 0.007 0.000 0.866 511 G HN 0.232 nan 8.290 nan 0.000 0.555 512 F N 1.203 121.077 119.950 -0.127 0.000 2.565 512 F HA 0.674 5.201 4.527 -0.000 0.000 0.313 512 F C -1.948 173.824 175.800 -0.047 0.000 1.091 512 F CA -1.767 56.169 58.000 -0.106 0.000 0.915 512 F CB 2.064 40.989 39.000 -0.124 0.000 1.208 512 F HN 0.536 nan 8.300 nan 0.000 0.453 516 V N 1.580 121.445 119.914 -0.082 0.000 2.357 516 V HA 0.282 4.402 4.120 -0.000 0.000 0.284 516 V C 0.421 176.449 176.094 -0.111 0.000 1.018 516 V CA -0.799 61.365 62.300 -0.227 0.000 0.841 516 V CB 2.199 33.817 31.823 -0.341 0.000 0.991 516 V HN 0.026 nan 8.190 nan 0.000 0.437 517 E N 5.002 125.144 120.200 -0.097 0.000 2.351 517 E HA 0.058 4.408 4.350 -0.000 0.000 0.266 517 E C -0.197 176.441 176.600 0.063 0.000 1.031 517 E CA -0.443 55.942 56.400 -0.024 0.000 0.911 517 E CB 0.523 30.198 29.700 -0.041 0.000 0.986 517 E HN 0.411 nan 8.360 nan 0.000 0.446 518 K N 5.739 126.170 120.400 0.052 0.000 2.319 518 K HA -0.058 4.262 4.320 -0.000 0.000 0.277 518 K C 0.503 177.154 176.600 0.085 0.000 1.111 518 K CA 0.531 56.871 56.287 0.088 0.000 1.093 518 K CB -0.197 32.331 32.500 0.045 0.000 0.910 518 K HN 0.562 nan 8.250 nan 0.000 0.452 519 R N 1.893 122.473 120.500 0.135 0.000 2.870 519 R HA 0.529 4.869 4.340 -0.000 0.000 0.262 519 R C -2.805 173.455 176.300 -0.066 0.000 1.112 519 R CA -1.574 54.539 56.100 0.021 0.000 0.976 519 R CB 0.279 30.571 30.300 -0.013 0.000 1.261 519 R HN 0.096 nan 8.270 nan 0.000 0.453 520 P HA 0.100 nan 4.420 nan 0.000 0.276 520 P C -1.035 176.044 177.300 -0.369 0.000 1.235 520 P CA -0.301 62.694 63.100 -0.175 0.000 0.772 520 P CB 0.875 32.505 31.700 -0.117 0.000 0.871 521 K N 4.648 124.845 120.400 -0.337 0.000 2.504 521 K HA 0.009 4.329 4.320 -0.000 0.000 0.278 521 K C -1.713 174.679 176.600 -0.347 0.000 1.025 521 K CA -0.859 55.152 56.287 -0.460 0.000 1.093 521 K CB -0.217 32.193 32.500 -0.150 0.000 0.873 521 K HN 0.323 nan 8.250 nan 0.000 0.483 522 P HA -0.111 nan 4.420 nan 0.000 0.296 522 P C -0.769 176.513 177.300 -0.030 0.000 1.358 522 P CA 0.274 63.296 63.100 -0.131 0.000 0.876 522 P CB 0.199 31.854 31.700 -0.074 0.000 1.471 523 D N -4.303 116.131 120.400 0.057 0.000 2.772 523 D HA -0.249 4.391 4.640 -0.000 0.000 0.233 523 D C 0.291 176.655 176.300 0.108 0.000 1.143 523 D CA 0.394 54.450 54.000 0.093 0.000 0.700 523 D CB -1.545 39.265 40.800 0.015 0.000 1.076 523 D HN 0.350 nan 8.370 nan 0.000 0.430 524 Y N 0.889 121.200 120.300 0.019 0.000 2.184 524 Y HA 0.004 4.554 4.550 -0.000 0.000 0.290 524 Y C 1.180 177.093 175.900 0.021 0.000 1.129 524 Y CA 1.249 59.352 58.100 0.004 0.000 1.144 524 Y CB 0.331 38.787 38.460 -0.007 0.000 0.995 524 Y HN 0.041 nan 8.280 nan 0.000 0.513 525 E N 0.982 121.244 120.200 0.103 0.000 2.046 525 E HA 0.249 4.599 4.350 -0.000 0.000 0.279 525 E C -1.047 175.571 176.600 0.030 0.000 0.989 525 E CA -0.013 56.389 56.400 0.003 0.000 0.798 525 E CB 0.048 29.795 29.700 0.077 0.000 1.086 525 E HN 0.437 nan 8.360 nan 0.000 0.399 526 L N 3.777 124.990 121.223 -0.017 0.000 2.672 526 L HA 0.313 4.653 4.340 -0.000 0.000 0.238 526 L C 0.314 177.190 176.870 0.010 0.000 1.392 526 L CA -0.460 54.384 54.840 0.006 0.000 1.238 526 L CB -0.170 41.880 42.059 -0.015 0.000 1.548 526 L HN 0.479 nan 8.230 nan 0.000 0.423 527 A N 0.916 123.748 122.820 0.020 0.000 2.671 527 A HA 0.396 4.716 4.320 -0.000 0.000 0.306 527 A C 0.862 178.471 177.584 0.041 0.000 1.473 527 A CA -0.441 51.608 52.037 0.019 0.000 1.155 527 A CB -0.198 18.811 19.000 0.015 0.000 1.123 527 A HN 0.534 nan 8.150 nan 0.000 0.545 528 S N 2.235 117.958 115.700 0.038 0.000 2.568 528 S HA 0.398 4.868 4.470 -0.000 0.000 0.282 528 S C 0.040 174.685 174.600 0.075 0.000 1.338 528 S CA -0.279 57.952 58.200 0.051 0.000 1.045 528 S CB 0.286 63.503 63.200 0.028 0.000 0.873 528 S HN 0.467 nan 8.310 nan 0.000 0.516 529 I N 2.906 123.530 120.570 0.089 0.000 2.352 529 I HA 0.272 4.442 4.170 -0.000 0.000 0.290 529 I C -2.009 174.121 176.117 0.022 0.000 1.036 529 I CA -2.066 59.293 61.300 0.100 0.000 1.336 529 I CB 0.166 38.230 38.000 0.106 0.000 1.407 529 I HN 0.471 nan 8.210 nan 0.000 0.497 530 P HA 0.120 nan 4.420 nan 0.000 0.268 530 P C -0.386 176.888 177.300 -0.043 0.000 1.204 530 P CA -0.072 63.013 63.100 -0.025 0.000 0.768 530 P CB 0.714 32.394 31.700 -0.033 0.000 0.842 531 T N 1.312 115.852 114.554 -0.023 0.000 2.896 531 T HA 0.581 4.931 4.350 -0.000 0.000 0.297 531 T C -1.395 173.303 174.700 -0.004 0.000 1.108 531 T CA -0.522 61.567 62.100 -0.018 0.000 1.004 531 T CB 0.994 69.854 68.868 -0.014 0.000 1.159 531 T HN 0.040 nan 8.240 nan 0.000 0.499 532 V N 3.132 123.049 119.914 0.005 0.000 2.709 532 V HA 0.591 4.711 4.120 -0.000 0.000 0.308 532 V C 0.360 176.448 176.094 -0.009 0.000 1.062 532 V CA -1.009 61.300 62.300 0.014 0.000 0.901 532 V CB 2.075 33.934 31.823 0.060 0.000 1.003 532 V HN 1.110 nan 8.190 nan 0.000 0.425 533 S N 2.907 118.588 115.700 -0.032 0.000 2.573 533 S HA 0.100 4.570 4.470 -0.000 0.000 0.277 533 S C 1.229 175.779 174.600 -0.085 0.000 1.346 533 S CA 0.376 58.544 58.200 -0.053 0.000 1.034 533 S CB 1.128 64.292 63.200 -0.060 0.000 0.879 533 S HN 0.718 nan 8.310 nan 0.000 0.528 534 S N 2.742 118.399 115.700 -0.072 0.000 2.368 534 S HA -0.097 4.373 4.470 -0.000 0.000 0.225 534 S C 2.216 176.740 174.600 -0.128 0.000 1.030 534 S CA 1.370 59.520 58.200 -0.083 0.000 0.999 534 S CB -0.756 62.411 63.200 -0.056 0.000 0.844 534 S HN 0.776 nan 8.310 nan 0.000 0.459 535 S N 1.850 117.479 115.700 -0.118 0.000 2.365 535 S HA -0.160 4.309 4.470 -0.000 0.000 0.221 535 S C 1.969 176.437 174.600 -0.221 0.000 1.037 535 S CA 1.195 59.315 58.200 -0.133 0.000 1.060 535 S CB -0.342 62.799 63.200 -0.098 0.000 0.974 535 S HN 0.446 nan 8.310 nan 0.000 0.427 536 K N 0.826 121.063 120.400 -0.272 0.000 2.034 536 K HA -0.098 4.222 4.320 -0.000 0.000 0.214 536 K C 0.876 176.891 176.600 -0.974 0.000 1.051 536 K CA 0.914 56.909 56.287 -0.486 0.000 0.931 536 K CB -0.666 31.604 32.500 -0.383 0.000 0.715 536 K HN 0.403 nan 8.250 nan 0.000 0.446 537 I N 1.986 122.085 120.570 -0.785 0.000 2.755 537 I HA -0.076 4.094 4.170 -0.000 0.000 0.303 537 I C -0.549 175.362 176.117 -0.344 0.000 1.168 537 I CA 0.641 61.540 61.300 -0.668 0.000 1.588 537 I CB -1.200 36.691 38.000 -0.181 0.000 1.509 537 I HN 0.170 nan 8.210 nan 0.000 0.734 538 F N 1.777 121.722 119.950 -0.009 0.000 2.186 538 F HA -0.180 4.347 4.527 -0.000 0.000 0.318 538 F C 0.024 175.812 175.800 -0.020 0.000 1.180 538 F CA -0.634 57.362 58.000 -0.007 0.000 0.910 538 F CB -0.380 38.622 39.000 0.003 0.000 4.120 538 F HN 0.296 nan 8.300 nan 0.000 0.146 539 S N 1.843 117.654 115.700 0.186 0.000 2.774 539 S HA 0.789 5.259 4.470 -0.000 0.000 0.297 539 S C -0.085 174.513 174.600 -0.004 0.000 1.143 539 S CA 0.292 58.526 58.200 0.057 0.000 1.090 539 S CB 1.294 64.512 63.200 0.031 0.000 1.019 539 S HN 1.045 nan 8.310 nan 0.000 0.482 540 G N 1.418 110.193 108.800 -0.041 0.000 3.247 540 G HA2 0.379 4.339 3.960 -0.000 0.000 0.226 540 G HA3 0.379 4.339 3.960 -0.000 0.000 0.226 540 G C 0.934 175.723 174.900 -0.185 0.000 1.220 540 G CA 0.165 45.207 45.100 -0.097 0.000 0.875 540 G HN 0.618 nan 8.290 nan 0.000 0.606 541 T N -0.830 113.599 114.554 -0.208 0.000 2.977 541 T HA -0.020 4.330 4.350 -0.000 0.000 0.271 541 T C 1.960 176.523 174.700 -0.228 0.000 1.105 541 T CA 1.250 63.174 62.100 -0.294 0.000 1.116 541 T CB 0.014 68.711 68.868 -0.284 0.000 0.878 541 T HN 0.223 nan 8.240 nan 0.000 0.509 542 K N 1.323 121.626 120.400 -0.162 0.000 2.001 542 K HA -0.027 4.293 4.320 -0.000 0.000 0.208 542 K C 2.469 178.989 176.600 -0.134 0.000 1.048 542 K CA 1.459 57.661 56.287 -0.140 0.000 0.932 542 K CB -0.494 31.934 32.500 -0.121 0.000 0.715 542 K HN 0.300 nan 8.250 nan 0.000 0.437 543 Q N 0.788 120.515 119.800 -0.122 0.000 2.135 543 Q HA -0.124 4.216 4.340 -0.000 0.000 0.204 543 Q C 1.978 177.894 176.000 -0.141 0.000 0.981 543 Q CA 0.987 56.724 55.803 -0.110 0.000 0.856 543 Q CB -0.382 28.304 28.738 -0.086 0.000 0.902 543 Q HN 0.175 nan 8.270 nan 0.000 0.425 544 L N -0.193 120.905 121.223 -0.208 0.000 1.989 544 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 544 L C 1.962 178.726 176.870 -0.178 0.000 1.071 544 L CA 1.507 56.190 54.840 -0.261 0.000 0.749 544 L CB -0.827 40.951 42.059 -0.469 0.000 0.890 544 L HN 0.344 nan 8.230 nan 0.000 0.431 545 L N -0.396 120.733 121.223 -0.156 0.000 2.043 545 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 545 L C 1.958 178.777 176.870 -0.084 0.000 1.075 545 L CA 2.052 56.829 54.840 -0.105 0.000 0.752 545 L CB -0.997 41.006 42.059 -0.093 0.000 0.891 545 L HN 0.359 nan 8.230 nan 0.000 0.432 546 D N -0.682 119.665 120.400 -0.088 0.000 2.264 546 D HA -0.129 4.511 4.640 -0.000 0.000 0.208 546 D C 1.940 178.203 176.300 -0.061 0.000 0.966 546 D CA 0.986 54.944 54.000 -0.069 0.000 0.864 546 D CB 0.076 40.834 40.800 -0.070 0.000 0.933 546 D HN 0.549 nan 8.370 nan 0.000 0.499 547 E N 0.220 120.378 120.200 -0.070 0.000 2.065 547 E HA -0.029 4.321 4.350 -0.000 0.000 0.191 547 E C 2.443 179.016 176.600 -0.045 0.000 0.960 547 E CA 0.611 56.977 56.400 -0.056 0.000 0.824 547 E CB -0.387 29.276 29.700 -0.062 0.000 0.793 547 E HN 0.316 nan 8.360 nan 0.000 0.459 548 V N -1.995 117.887 119.914 -0.054 0.000 3.307 548 V HA 0.429 4.549 4.120 -0.000 0.000 0.253 548 V C 1.062 177.137 176.094 -0.033 0.000 1.149 548 V CA 0.653 62.934 62.300 -0.032 0.000 1.112 548 V CB -0.424 31.386 31.823 -0.021 0.000 0.777 548 V HN 0.306 nan 8.190 nan 0.000 0.464 549 G N 0.866 109.636 108.800 -0.050 0.000 2.712 549 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.683 549 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.683 549 G C -1.409 173.438 174.900 -0.088 0.000 1.320 549 G CA -0.172 44.893 45.100 -0.059 0.000 0.847 549 G HN 0.302 nan 8.290 nan 0.000 0.553 550 P HA -0.133 nan 4.420 nan 0.000 0.215 550 P C 1.598 178.695 177.300 -0.338 0.000 1.157 550 P CA 1.991 64.895 63.100 -0.325 0.000 0.874 550 P CB -0.051 31.273 31.700 -0.625 0.000 0.790 551 K N -0.432 119.816 120.400 -0.253 0.000 2.097 551 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 551 K C 2.518 179.131 176.600 0.021 0.000 1.049 551 K CA 1.496 57.754 56.287 -0.050 0.000 0.933 551 K CB -0.957 31.557 32.500 0.024 0.000 0.717 551 K HN 0.171 nan 8.250 nan 0.000 0.442 552 G N 1.150 109.955 108.800 0.009 0.000 2.421 552 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.216 552 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.216 552 G C 1.598 176.567 174.900 0.116 0.000 1.171 552 G CA 0.834 45.965 45.100 0.052 0.000 0.775 552 G HN 0.091 nan 8.290 nan 0.000 0.543 553 V N 1.745 121.714 119.914 0.092 0.000 2.287 553 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 553 V C 3.358 179.636 176.094 0.308 0.000 1.053 553 V CA 2.127 64.544 62.300 0.195 0.000 1.027 553 V CB -1.043 30.867 31.823 0.145 0.000 0.646 553 V HN 0.495 nan 8.190 nan 0.000 0.447 554 A N -0.503 122.444 122.820 0.211 0.000 1.883 554 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 554 A C 2.223 179.904 177.584 0.162 0.000 1.186 554 A CA 1.840 53.993 52.037 0.194 0.000 0.624 554 A CB -0.491 18.616 19.000 0.178 0.000 0.822 554 A HN 0.530 nan 8.150 nan 0.000 0.444 555 E N -1.325 118.967 120.200 0.153 0.000 2.085 555 E HA -0.242 4.107 4.350 -0.000 0.000 0.194 555 E C 1.754 178.448 176.600 0.158 0.000 0.994 555 E CA 1.414 57.891 56.400 0.128 0.000 0.801 555 E CB -0.441 29.329 29.700 0.116 0.000 0.743 555 E HN 0.891 nan 8.360 nan 0.000 0.453 556 W N 1.366 122.688 121.300 0.037 0.000 2.363 556 W HA -0.187 4.473 4.660 -0.000 0.000 0.296 556 W C 2.091 178.631 176.519 0.035 0.000 1.212 556 W CA 1.303 58.670 57.345 0.037 0.000 1.260 556 W CB -0.200 29.290 29.460 0.050 0.000 1.131 556 W HN -0.188 nan 8.180 nan 0.000 0.530 557 V N 2.358 122.375 119.914 0.171 0.000 2.261 557 V HA -0.370 3.750 4.120 -0.000 0.000 0.246 557 V C 2.455 178.426 176.094 -0.204 0.000 1.047 557 V CA 2.745 65.017 62.300 -0.046 0.000 1.015 557 V CB -1.095 30.757 31.823 0.048 0.000 0.642 557 V HN 0.311 nan 8.190 nan 0.000 0.446 558 K N 0.486 120.817 120.400 -0.115 0.000 2.362 558 K HA -0.178 4.142 4.320 -0.000 0.000 0.200 558 K C 2.016 178.520 176.600 -0.160 0.000 1.046 558 K CA 1.328 57.540 56.287 -0.126 0.000 0.952 558 K CB -0.210 32.249 32.500 -0.068 0.000 0.753 558 K HN 0.319 nan 8.250 nan 0.000 0.466 559 K N 0.902 121.181 120.400 -0.201 0.000 2.365 559 K HA -0.021 4.299 4.320 -0.000 0.000 0.199 559 K C 0.063 176.477 176.600 -0.310 0.000 1.045 559 K CA 0.462 56.618 56.287 -0.219 0.000 0.962 559 K CB 0.340 32.726 32.500 -0.190 0.000 0.759 559 K HN 0.124 nan 8.250 nan 0.000 0.469 560 Q N 0.910 120.450 119.800 -0.434 0.000 2.279 560 Q HA -0.011 4.329 4.340 -0.000 0.000 0.256 560 Q C -0.025 175.817 176.000 -0.264 0.000 0.937 560 Q CA 0.230 55.776 55.803 -0.429 0.000 0.933 560 Q CB 1.704 30.073 28.738 -0.614 0.000 1.189 560 Q HN 0.130 nan 8.270 nan 0.000 0.417 561 D N 1.485 121.765 120.400 -0.201 0.000 2.183 561 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 561 D C -0.497 175.717 176.300 -0.144 0.000 0.962 561 D CA 0.644 54.552 54.000 -0.154 0.000 0.849 561 D CB 0.495 41.218 40.800 -0.127 0.000 0.978 561 D HN 0.414 nan 8.370 nan 0.000 0.488 562 D N -0.096 120.224 120.400 -0.133 0.000 2.378 562 D HA 0.027 4.667 4.640 -0.000 0.000 0.238 562 D C -0.150 176.083 176.300 -0.111 0.000 1.180 562 D CA -0.133 53.808 54.000 -0.097 0.000 0.895 562 D CB 1.072 41.841 40.800 -0.052 0.000 1.192 562 D HN -0.148 nan 8.370 nan 0.000 0.438 563 V N 2.405 122.266 119.914 -0.088 0.000 2.470 563 V HA 0.084 4.204 4.120 -0.000 0.000 0.276 563 V C 0.673 176.715 176.094 -0.087 0.000 1.040 563 V CA -0.385 61.847 62.300 -0.114 0.000 1.008 563 V CB 0.031 31.788 31.823 -0.109 0.000 0.990 563 V HN 0.246 nan 8.190 nan 0.000 0.477 564 L N 5.855 127.006 121.223 -0.120 0.000 2.399 564 L HA 0.599 4.939 4.340 -0.000 0.000 0.266 564 L C -0.211 176.610 176.870 -0.082 0.000 1.114 564 L CA -0.534 54.275 54.840 -0.051 0.000 0.804 564 L CB 1.431 43.472 42.059 -0.029 0.000 1.146 564 L HN 0.617 nan 8.230 nan 0.000 0.451 565 L N -0.173 121.063 121.223 0.021 0.000 2.370 565 L HA 0.686 5.026 4.340 -0.000 0.000 0.266 565 L C -0.487 176.407 176.870 0.040 0.000 1.002 565 L CA -0.119 54.718 54.840 -0.005 0.000 0.818 565 L CB 2.161 44.245 42.059 0.041 0.000 1.325 565 L HN 0.305 nan 8.230 nan 0.000 0.418 566 T N 1.659 116.221 114.554 0.014 0.000 2.770 566 T HA 0.337 4.687 4.350 -0.000 0.000 0.283 566 T C -1.058 173.567 174.700 -0.125 0.000 0.988 566 T CA -0.016 62.102 62.100 0.030 0.000 0.957 566 T CB 0.842 69.872 68.868 0.270 0.000 0.930 566 T HN 0.831 nan 8.240 nan 0.000 0.443 567 D N 1.848 122.018 120.400 -0.383 0.000 2.312 567 D HA 0.256 4.896 4.640 -0.000 0.000 0.252 567 D C 1.234 177.348 176.300 -0.311 0.000 1.150 567 D CA -0.215 53.492 54.000 -0.490 0.000 0.870 567 D CB 0.994 41.120 40.800 -1.124 0.000 1.153 567 D HN 0.527 nan 8.370 nan 0.000 0.457 568 T N -0.655 113.781 114.554 -0.197 0.000 3.092 568 T HA 0.053 4.402 4.350 -0.000 0.000 0.258 568 T C 1.504 176.115 174.700 -0.148 0.000 1.031 568 T CA -0.121 61.901 62.100 -0.131 0.000 0.925 568 T CB -0.054 68.784 68.868 -0.049 0.000 1.036 568 T HN 0.286 nan 8.240 nan 0.000 0.544 569 T N 2.124 116.531 114.554 -0.245 0.000 2.685 569 T HA -0.075 4.275 4.350 -0.000 0.000 0.268 569 T C 0.976 175.589 174.700 -0.144 0.000 1.034 569 T CA 1.334 63.237 62.100 -0.328 0.000 1.149 569 T CB -0.492 68.070 68.868 -0.511 0.000 0.860 569 T HN 0.377 nan 8.240 nan 0.000 0.449 570 F N 0.749 120.605 119.950 -0.157 0.000 2.699 570 F HA 0.232 4.759 4.527 -0.000 0.000 0.298 570 F C 2.230 178.112 175.800 0.137 0.000 1.154 570 F CA 0.153 58.139 58.000 -0.024 0.000 1.457 570 F CB -0.371 38.605 39.000 -0.041 0.000 1.106 570 F HN 0.025 nan 8.300 nan 0.000 0.585 571 R N -0.409 120.187 120.500 0.159 0.000 4.494 571 R HA 0.048 4.388 4.340 -0.000 0.000 0.124 571 R C 1.599 177.697 176.300 -0.337 0.000 1.588 571 R CA 0.461 56.520 56.100 -0.068 0.000 1.083 571 R CB -0.765 29.523 30.300 -0.020 0.000 1.313 571 R HN -0.054 nan 8.270 nan 0.000 0.426 572 D N 1.205 121.503 120.400 -0.170 0.000 2.178 572 D HA 0.021 4.661 4.640 -0.000 0.000 0.202 572 D C 1.501 177.721 176.300 -0.132 0.000 0.974 572 D CA 1.239 55.161 54.000 -0.130 0.000 0.841 572 D CB 0.192 40.990 40.800 -0.004 0.000 0.953 572 D HN 0.360 nan 8.370 nan 0.000 0.478 573 A N 0.982 123.728 122.820 -0.124 0.000 1.883 573 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 573 A C 2.093 179.630 177.584 -0.078 0.000 1.186 573 A CA 2.020 54.001 52.037 -0.093 0.000 0.624 573 A CB -1.119 17.809 19.000 -0.120 0.000 0.822 573 A HN 0.584 nan 8.150 nan 0.000 0.444 574 H N -1.217 117.773 119.070 -0.134 0.000 2.482 574 H HA -0.006 4.550 4.556 -0.000 0.000 0.286 574 H C 1.936 177.208 175.328 -0.093 0.000 1.017 574 H CA 1.190 57.156 56.048 -0.137 0.000 1.322 574 H CB -0.597 29.041 29.762 -0.207 0.000 1.426 574 H HN 0.660 nan 8.280 nan 0.000 0.546 575 Q N 1.689 121.223 119.800 -0.443 0.000 2.096 575 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 575 Q C 1.920 177.856 176.000 -0.107 0.000 0.982 575 Q CA 2.345 57.998 55.803 -0.250 0.000 0.850 575 Q CB 0.171 28.767 28.738 -0.237 0.000 0.901 575 Q HN 0.428 nan 8.270 nan 0.000 0.422 576 S N 0.101 115.758 115.700 -0.071 0.000 2.377 576 S HA -0.004 4.466 4.470 -0.000 0.000 0.223 576 S C 1.778 176.359 174.600 -0.032 0.000 1.030 576 S CA 0.949 59.130 58.200 -0.033 0.000 0.970 576 S CB -0.011 63.206 63.200 0.028 0.000 0.830 576 S HN 0.365 nan 8.310 nan 0.000 0.473 577 L N 0.065 121.277 121.223 -0.017 0.000 2.408 577 L HA 0.317 4.657 4.340 -0.000 0.000 0.215 577 L C 0.556 177.446 176.870 0.032 0.000 1.081 577 L CA 0.656 55.498 54.840 0.003 0.000 0.840 577 L CB 0.027 42.091 42.059 0.008 0.000 1.002 577 L HN 0.189 nan 8.230 nan 0.000 0.468 578 L N -0.225 121.021 121.223 0.038 0.000 3.291 578 L HA 0.427 4.767 4.340 -0.000 0.000 0.307 578 L C 0.766 177.660 176.870 0.040 0.000 1.303 578 L CA -0.332 54.555 54.840 0.079 0.000 0.949 578 L CB 0.658 42.733 42.059 0.027 0.000 1.375 578 L HN 0.090 nan 8.230 nan 0.000 0.596 579 A N -0.513 122.317 122.820 0.015 0.000 2.771 579 A HA -0.297 4.023 4.320 -0.000 0.000 0.294 579 A C 1.170 178.713 177.584 -0.067 0.000 1.500 579 A CA 1.182 53.198 52.037 -0.034 0.000 0.829 579 A CB -2.001 16.988 19.000 -0.018 0.000 0.998 579 A HN 0.700 nan 8.150 nan 0.000 0.526 580 T N -2.355 112.188 114.554 -0.018 0.000 4.543 580 T HA -0.245 4.105 4.350 -0.000 0.000 0.313 580 T C 0.827 175.608 174.700 0.136 0.000 1.051 580 T CA 1.554 63.686 62.100 0.054 0.000 2.160 580 T CB -0.990 67.862 68.868 -0.026 0.000 1.904 580 T HN 0.872 nan 8.240 nan 0.000 0.924 581 R N 0.096 120.590 120.500 -0.011 0.000 2.297 581 R HA 0.237 4.577 4.340 -0.000 0.000 0.197 581 R C 0.896 177.137 176.300 -0.098 0.000 0.943 581 R CA 0.005 56.041 56.100 -0.107 0.000 1.038 581 R CB -0.123 29.916 30.300 -0.435 0.000 0.957 581 R HN 0.453 nan 8.270 nan 0.000 0.484 582 V N 3.426 123.092 119.914 -0.414 0.000 2.509 582 V HA -0.063 4.057 4.120 -0.000 0.000 0.297 582 V C 1.074 177.053 176.094 -0.191 0.000 1.014 582 V CA 0.448 62.388 62.300 -0.599 0.000 1.127 582 V CB 0.048 31.274 31.823 -0.995 0.000 0.925 582 V HN 0.125 nan 8.190 nan 0.000 0.480 583 R N 3.169 123.704 120.500 0.057 0.000 2.615 583 R HA 0.216 4.556 4.340 -0.000 0.000 0.270 583 R C 1.486 177.754 176.300 -0.054 0.000 1.081 583 R CA -0.237 55.839 56.100 -0.039 0.000 1.154 583 R CB 0.394 30.615 30.300 -0.131 0.000 1.063 583 R HN 0.754 nan 8.270 nan 0.000 0.519 584 T N 1.442 115.935 114.554 -0.101 0.000 2.665 584 T HA -0.227 4.123 4.350 -0.000 0.000 0.268 584 T C 1.679 176.337 174.700 -0.069 0.000 1.035 584 T CA 1.723 63.764 62.100 -0.099 0.000 1.151 584 T CB -0.152 68.660 68.868 -0.093 0.000 0.862 584 T HN 0.442 nan 8.240 nan 0.000 0.438 585 K N 1.519 121.880 120.400 -0.065 0.000 2.052 585 K HA -0.191 4.129 4.320 -0.000 0.000 0.215 585 K C 1.809 178.430 176.600 0.034 0.000 1.053 585 K CA 1.977 58.246 56.287 -0.029 0.000 0.934 585 K CB -0.646 31.820 32.500 -0.057 0.000 0.717 585 K HN 0.285 nan 8.250 nan 0.000 0.450 586 D N -0.492 119.962 120.400 0.091 0.000 2.219 586 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 586 D C 1.888 178.281 176.300 0.154 0.000 0.970 586 D CA 1.208 55.305 54.000 0.162 0.000 0.851 586 D CB -0.049 40.897 40.800 0.244 0.000 0.943 586 D HN 0.393 nan 8.370 nan 0.000 0.488 587 M N -0.116 119.535 119.600 0.085 0.000 2.193 587 M HA -0.061 4.419 4.480 -0.000 0.000 0.265 587 M C 2.001 178.246 176.300 -0.091 0.000 1.071 587 M CA 0.703 55.949 55.300 -0.090 0.000 1.140 587 M CB 0.093 32.357 32.600 -0.560 0.000 1.369 587 M HN -0.056 nan 8.290 nan 0.000 0.423 588 I N 1.156 121.686 120.570 -0.068 0.000 2.179 588 I HA -0.273 3.897 4.170 -0.000 0.000 0.242 588 I C 1.857 177.977 176.117 0.004 0.000 1.088 588 I CA 1.683 62.968 61.300 -0.025 0.000 1.357 588 I CB -1.667 36.319 38.000 -0.024 0.000 1.051 588 I HN 0.441 nan 8.210 nan 0.000 0.409 589 N N 0.281 118.989 118.700 0.014 0.000 2.132 589 N HA -0.235 4.505 4.740 -0.000 0.000 0.191 589 N C 1.612 177.060 175.510 -0.104 0.000 1.015 589 N CA 1.120 54.174 53.050 0.007 0.000 0.864 589 N CB -0.032 38.517 38.487 0.103 0.000 1.006 589 N HN 0.191 nan 8.380 nan 0.000 0.430 590 I N 0.134 120.586 120.570 -0.197 0.000 3.883 590 I HA 0.179 4.349 4.170 -0.000 0.000 0.326 590 I C 1.719 177.830 176.117 -0.010 0.000 1.283 590 I CA -0.088 60.993 61.300 -0.365 0.000 1.161 590 I CB -0.074 37.389 38.000 -0.895 0.000 1.012 590 I HN -0.015 nan 8.210 nan 0.000 0.421 591 A N 0.198 123.084 122.820 0.110 0.000 1.892 591 A HA -0.277 4.043 4.320 -0.000 0.000 0.218 591 A C 2.525 180.211 177.584 0.169 0.000 1.188 591 A CA 2.406 54.580 52.037 0.227 0.000 0.631 591 A CB -1.200 17.902 19.000 0.170 0.000 0.822 591 A HN 0.563 nan 8.150 nan 0.000 0.447 592 S N -0.479 115.275 115.700 0.091 0.000 2.402 592 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 592 S C 1.870 176.522 174.600 0.087 0.000 1.021 592 S CA 1.669 59.920 58.200 0.086 0.000 0.974 592 S CB -0.212 63.014 63.200 0.043 0.000 0.800 592 S HN 0.501 nan 8.310 nan 0.000 0.484 593 K N 1.340 121.762 120.400 0.038 0.000 2.103 593 K HA 0.064 4.384 4.320 -0.000 0.000 0.204 593 K C 2.063 178.682 176.600 0.032 0.000 1.052 593 K CA 1.790 58.086 56.287 0.014 0.000 0.945 593 K CB -1.051 31.414 32.500 -0.058 0.000 0.722 593 K HN 0.390 nan 8.250 nan 0.000 0.443 594 T N 0.528 115.133 114.554 0.085 0.000 2.720 594 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 594 T C 1.811 176.626 174.700 0.192 0.000 1.037 594 T CA 1.429 63.622 62.100 0.156 0.000 1.144 594 T CB -0.522 68.493 68.868 0.245 0.000 0.864 594 T HN 0.392 nan 8.240 nan 0.000 0.444 595 A N 1.320 124.264 122.820 0.207 0.000 1.940 595 A HA -0.183 4.137 4.320 -0.000 0.000 0.219 595 A C 2.088 179.779 177.584 0.178 0.000 1.176 595 A CA 2.213 54.391 52.037 0.235 0.000 0.631 595 A CB -0.739 18.422 19.000 0.268 0.000 0.814 595 A HN 0.560 nan 8.150 nan 0.000 0.446 596 D N -0.965 119.531 120.400 0.160 0.000 2.120 596 D HA -0.076 4.564 4.640 -0.000 0.000 0.202 596 D C 1.813 178.032 176.300 -0.135 0.000 0.972 596 D CA 1.343 55.375 54.000 0.054 0.000 0.837 596 D CB -0.012 40.894 40.800 0.178 0.000 0.989 596 D HN 0.121 nan 8.370 nan 0.000 0.469 597 V N -0.089 119.726 119.914 -0.164 0.000 2.332 597 V HA -0.182 3.938 4.120 -0.000 0.000 0.248 597 V C 1.504 177.325 176.094 -0.455 0.000 1.055 597 V CA 1.362 63.441 62.300 -0.368 0.000 1.038 597 V CB -0.635 30.858 31.823 -0.549 0.000 0.651 597 V HN 0.238 nan 8.190 nan 0.000 0.450 598 F N 0.658 120.573 119.950 -0.058 0.000 2.660 598 F HA 0.164 4.691 4.527 -0.000 0.000 0.297 598 F C 1.895 177.654 175.800 -0.069 0.000 1.132 598 F CA -0.328 57.640 58.000 -0.053 0.000 1.372 598 F CB -0.358 38.615 39.000 -0.044 0.000 1.003 598 F HN 0.163 nan 8.300 nan 0.000 0.524 599 K N -0.659 119.716 120.400 -0.042 0.000 2.218 599 K HA -0.191 4.129 4.320 -0.000 0.000 0.205 599 K C 0.366 176.936 176.600 -0.049 0.000 1.046 599 K CA 1.933 58.126 56.287 -0.158 0.000 0.933 599 K CB -0.127 32.065 32.500 -0.514 0.000 0.728 599 K HN 0.163 nan 8.250 nan 0.000 0.454 600 D N 0.764 121.179 120.400 0.025 0.000 2.479 600 D HA 0.111 4.751 4.640 -0.000 0.000 0.218 600 D C 0.239 176.644 176.300 0.176 0.000 1.177 600 D CA 0.008 54.067 54.000 0.099 0.000 0.830 600 D CB 0.675 41.525 40.800 0.084 0.000 1.014 600 D HN 0.366 nan 8.370 nan 0.000 0.503 601 G N 0.424 109.343 108.800 0.199 0.000 2.483 601 G HA2 0.073 4.033 3.960 -0.000 0.000 0.248 601 G HA3 0.073 4.033 3.960 -0.000 0.000 0.248 601 G C 0.565 175.578 174.900 0.188 0.000 1.248 601 G CA -0.485 44.739 45.100 0.207 0.000 0.838 601 G HN 0.030 nan 8.290 nan 0.000 0.566 602 F N 1.680 121.677 119.950 0.080 0.000 2.075 602 F HA 0.092 4.619 4.527 -0.000 0.000 0.297 602 F C 1.445 177.292 175.800 0.079 0.000 1.113 602 F CA 1.470 59.532 58.000 0.104 0.000 1.218 602 F CB 0.083 39.126 39.000 0.071 0.000 0.984 602 F HN 0.616 nan 8.300 nan 0.000 0.472 603 S N -0.888 114.775 115.700 -0.063 0.000 2.625 603 S HA 0.588 5.058 4.470 -0.000 0.000 0.271 603 S C -1.369 173.153 174.600 -0.131 0.000 1.161 603 S CA -1.042 57.057 58.200 -0.169 0.000 0.820 603 S CB 1.526 64.624 63.200 -0.171 0.000 1.137 603 S HN 0.126 nan 8.310 nan 0.000 0.470 604 L N 1.499 122.620 121.223 -0.169 0.000 2.319 604 L HA 0.546 4.886 4.340 -0.000 0.000 0.281 604 L C 0.046 176.773 176.870 -0.238 0.000 1.005 604 L CA -0.436 54.230 54.840 -0.290 0.000 0.828 604 L CB 1.632 43.469 42.059 -0.370 0.000 1.227 604 L HN 0.825 nan 8.230 nan 0.000 0.415 605 E N 4.831 124.929 120.200 -0.171 0.000 2.180 605 E HA 0.264 4.614 4.350 -0.000 0.000 0.283 605 E C -0.181 176.380 176.600 -0.065 0.000 1.061 605 E CA -0.417 55.921 56.400 -0.103 0.000 0.861 605 E CB 0.764 30.421 29.700 -0.072 0.000 1.056 605 E HN 0.623 nan 8.360 nan 0.000 0.407 606 M N 2.790 122.371 119.600 -0.032 0.000 3.056 606 M HA 0.426 4.906 4.480 -0.000 0.000 0.457 606 M C -1.342 175.089 176.300 0.217 0.000 1.407 606 M CA -0.582 54.759 55.300 0.069 0.000 0.797 606 M CB 0.151 32.732 32.600 -0.032 0.000 1.522 606 M HN 0.329 nan 8.290 nan 0.000 0.531 607 W N -0.276 120.977 121.300 -0.080 0.000 2.937 607 W HA 0.660 5.320 4.660 -0.000 0.000 0.360 607 W C 0.403 176.912 176.519 -0.016 0.000 1.215 607 W CA 0.035 57.351 57.345 -0.049 0.000 1.183 607 W CB 0.778 30.197 29.460 -0.068 0.000 1.458 607 W HN 0.752 nan 8.180 nan 0.000 0.574 608 G N 1.061 109.783 108.800 -0.129 0.000 2.693 608 G HA2 0.401 4.361 3.960 -0.000 0.000 0.226 608 G HA3 0.401 4.361 3.960 -0.000 0.000 0.226 608 G C 0.635 175.490 174.900 -0.075 0.000 1.354 608 G CA 1.046 46.093 45.100 -0.088 0.000 0.873 608 G HN 2.334 nan 8.290 nan 0.000 0.562 609 G N -1.338 107.456 108.800 -0.010 0.000 2.566 609 G HA2 0.195 4.155 3.960 -0.000 0.000 0.280 609 G HA3 0.195 4.155 3.960 -0.000 0.000 0.280 609 G C 1.498 176.400 174.900 0.002 0.000 1.225 609 G CA 2.404 47.503 45.100 -0.002 0.000 0.966 609 G HN 2.569 nan 8.290 nan 0.000 0.560 610 A N -0.605 122.210 122.820 -0.008 0.000 2.251 610 A HA 0.388 4.708 4.320 -0.000 0.000 0.209 610 A C 2.463 180.042 177.584 -0.007 0.000 1.187 610 A CA 2.327 54.378 52.037 0.022 0.000 0.823 610 A CB -0.772 18.248 19.000 0.033 0.000 0.846 610 A HN 2.017 nan 8.150 nan 0.000 0.486 611 T N -3.007 111.510 114.554 -0.063 0.000 2.788 611 T HA -0.176 4.174 4.350 -0.000 0.000 0.268 611 T C 1.668 176.264 174.700 -0.173 0.000 1.044 611 T CA 1.398 63.443 62.100 -0.091 0.000 1.139 611 T CB -0.566 68.242 68.868 -0.101 0.000 0.867 611 T HN 0.293 nan 8.240 nan 0.000 0.454 612 F N 2.955 122.670 119.950 -0.391 0.000 2.095 612 F HA -0.081 4.446 4.527 -0.000 0.000 0.298 612 F C 2.204 177.799 175.800 -0.342 0.000 1.104 612 F CA 1.976 59.697 58.000 -0.466 0.000 1.232 612 F CB -0.408 38.313 39.000 -0.464 0.000 0.987 612 F HN 0.170 nan 8.300 nan 0.000 0.475 613 D N -0.214 120.097 120.400 -0.148 0.000 2.084 613 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 613 D C 2.174 178.370 176.300 -0.173 0.000 0.985 613 D CA 1.818 55.604 54.000 -0.357 0.000 0.826 613 D CB -0.519 40.142 40.800 -0.231 0.000 0.978 613 D HN 0.172 nan 8.370 nan 0.000 0.456 614 V N 1.149 121.051 119.914 -0.019 0.000 2.407 614 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 614 V C 2.710 178.853 176.094 0.080 0.000 1.055 614 V CA 1.754 64.152 62.300 0.164 0.000 1.049 614 V CB -1.034 30.921 31.823 0.220 0.000 0.662 614 V HN 0.359 nan 8.190 nan 0.000 0.455 615 A N -1.022 121.749 122.820 -0.081 0.000 1.851 615 A HA -0.257 4.063 4.320 -0.000 0.000 0.216 615 A C 2.125 179.619 177.584 -0.150 0.000 1.195 615 A CA 2.072 54.017 52.037 -0.154 0.000 0.622 615 A CB -0.934 17.874 19.000 -0.321 0.000 0.831 615 A HN 0.570 nan 8.150 nan 0.000 0.444 616 Y N -0.284 119.841 120.300 -0.291 0.000 2.165 616 Y HA -0.232 4.318 4.550 -0.000 0.000 0.286 616 Y C 2.669 178.498 175.900 -0.117 0.000 1.155 616 Y CA 1.697 59.617 58.100 -0.301 0.000 1.164 616 Y CB -0.123 38.097 38.460 -0.399 0.000 0.978 616 Y HN 0.532 nan 8.280 nan 0.000 0.513 617 N N -0.795 117.892 118.700 -0.021 0.000 2.187 617 N HA -0.119 4.621 4.740 -0.000 0.000 0.190 617 N C 1.559 176.979 175.510 -0.150 0.000 1.052 617 N CA 0.818 53.751 53.050 -0.194 0.000 0.863 617 N CB -0.247 37.932 38.487 -0.512 0.000 1.041 617 N HN 0.076 nan 8.380 nan 0.000 0.447 618 F N 1.251 121.281 119.950 0.134 0.000 2.128 618 F HA 0.040 4.567 4.527 -0.000 0.000 0.295 618 F C 2.125 178.120 175.800 0.325 0.000 1.100 618 F CA 0.636 58.758 58.000 0.203 0.000 1.260 618 F CB -0.213 38.892 39.000 0.175 0.000 1.009 618 F HN 0.056 nan 8.300 nan 0.000 0.476 619 L N -0.277 121.202 121.223 0.427 0.000 2.478 619 L HA -0.012 4.328 4.340 -0.000 0.000 0.223 619 L C 0.424 177.500 176.870 0.343 0.000 1.140 619 L CA 0.276 55.332 54.840 0.359 0.000 0.842 619 L CB -0.515 41.601 42.059 0.095 0.000 0.953 619 L HN 0.044 nan 8.230 nan 0.000 0.452 620 K N 1.805 122.397 120.400 0.320 0.000 3.278 620 K HA -0.194 4.126 4.320 -0.000 0.000 0.270 620 K C -0.142 176.678 176.600 0.366 0.000 0.955 620 K CA 0.925 57.445 56.287 0.387 0.000 0.723 620 K CB -1.764 30.967 32.500 0.385 0.000 1.382 620 K HN 0.755 nan 8.250 nan 0.000 0.461 621 E N -0.965 119.336 120.200 0.168 0.000 2.383 621 E HA 0.298 4.648 4.350 -0.000 0.000 0.275 621 E C -0.864 175.568 176.600 -0.280 0.000 0.918 621 E CA -1.011 55.425 56.400 0.059 0.000 0.764 621 E CB 1.401 31.074 29.700 -0.044 0.000 1.252 621 E HN 0.196 nan 8.360 nan 0.000 0.449 622 N N 2.937 121.492 118.700 -0.242 0.000 2.405 622 N HA 0.067 4.807 4.740 -0.000 0.000 0.260 622 N C -1.477 173.819 175.510 -0.356 0.000 1.152 622 N CA -1.757 51.017 53.050 -0.459 0.000 0.948 622 N CB 0.838 39.309 38.487 -0.028 0.000 1.111 622 N HN 0.353 nan 8.380 nan 0.000 0.485 623 P HA -0.143 nan 4.420 nan 0.000 0.218 623 P C 0.642 178.028 177.300 0.144 0.000 1.148 623 P CA 1.217 64.145 63.100 -0.287 0.000 0.822 623 P CB -0.007 31.238 31.700 -0.760 0.000 0.784 624 W N 1.159 122.565 121.300 0.177 0.000 2.355 624 W HA -0.088 4.572 4.660 -0.000 0.000 0.309 624 W C 2.565 179.106 176.519 0.037 0.000 1.206 624 W CA 0.996 58.465 57.345 0.207 0.000 1.284 624 W CB -1.047 28.539 29.460 0.210 0.000 1.145 624 W HN 0.050 nan 8.180 nan 0.000 0.502 625 E N -0.019 120.320 120.200 0.231 0.000 2.110 625 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 625 E C 2.166 178.795 176.600 0.048 0.000 0.988 625 E CA 1.027 57.496 56.400 0.115 0.000 0.804 625 E CB -0.280 29.474 29.700 0.091 0.000 0.745 625 E HN 0.218 nan 8.360 nan 0.000 0.458 626 R N 0.723 121.242 120.500 0.032 0.000 2.083 626 R HA -0.195 4.145 4.340 -0.000 0.000 0.237 626 R C 2.428 178.704 176.300 -0.041 0.000 1.137 626 R CA 1.284 57.383 56.100 -0.003 0.000 0.951 626 R CB -0.266 30.051 30.300 0.029 0.000 0.851 626 R HN 0.159 nan 8.270 nan 0.000 0.434 627 L N 1.341 122.487 121.223 -0.128 0.000 2.017 627 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 627 L C 1.725 178.542 176.870 -0.090 0.000 1.073 627 L CA 1.898 56.560 54.840 -0.296 0.000 0.745 627 L CB -0.475 41.045 42.059 -0.897 0.000 0.894 627 L HN 0.201 nan 8.230 nan 0.000 0.432 628 E N -0.822 119.351 120.200 -0.045 0.000 2.047 628 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 628 E C 2.274 178.873 176.600 -0.003 0.000 0.987 628 E CA 1.005 57.394 56.400 -0.018 0.000 0.799 628 E CB -0.121 29.591 29.700 0.020 0.000 0.752 628 E HN 0.408 nan 8.360 nan 0.000 0.449 629 R N 0.520 121.027 120.500 0.011 0.000 2.080 629 R HA -0.143 4.197 4.340 -0.000 0.000 0.236 629 R C 2.520 178.841 176.300 0.036 0.000 1.137 629 R CA 1.059 57.167 56.100 0.014 0.000 0.943 629 R CB -0.689 29.614 30.300 0.005 0.000 0.846 629 R HN 0.238 nan 8.270 nan 0.000 0.431 630 L N 0.366 121.626 121.223 0.062 0.000 2.131 630 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 630 L C 2.773 179.800 176.870 0.262 0.000 1.092 630 L CA 0.925 55.865 54.840 0.166 0.000 0.759 630 L CB -0.395 41.758 42.059 0.157 0.000 0.903 630 L HN 0.051 nan 8.230 nan 0.000 0.435 631 R N 0.786 121.361 120.500 0.125 0.000 2.083 631 R HA -0.153 4.187 4.340 -0.000 0.000 0.237 631 R C 2.172 178.403 176.300 -0.115 0.000 1.137 631 R CA 1.553 57.552 56.100 -0.168 0.000 0.951 631 R CB -0.404 29.762 30.300 -0.223 0.000 0.851 631 R HN 0.266 nan 8.270 nan 0.000 0.434 632 K N -0.499 119.876 120.400 -0.043 0.000 2.026 632 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 632 K C 1.874 178.477 176.600 0.005 0.000 1.048 632 K CA 1.460 57.730 56.287 -0.029 0.000 0.929 632 K CB -0.114 32.376 32.500 -0.016 0.000 0.713 632 K HN 0.197 nan 8.250 nan 0.000 0.439 633 A N 0.836 123.686 122.820 0.050 0.000 1.969 633 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 633 A C 1.201 178.859 177.584 0.122 0.000 1.169 633 A CA 0.927 53.011 52.037 0.079 0.000 0.635 633 A CB -0.034 19.024 19.000 0.096 0.000 0.810 633 A HN 0.242 nan 8.150 nan 0.000 0.445 634 I N 0.096 120.768 120.570 0.170 0.000 2.668 634 I HA 0.229 4.398 4.170 -0.000 0.000 0.276 634 I C -2.279 173.891 176.117 0.089 0.000 1.139 634 I CA -1.459 59.973 61.300 0.221 0.000 1.133 634 I CB 2.070 40.315 38.000 0.410 0.000 1.327 634 I HN 0.022 nan 8.210 nan 0.000 0.520 635 P HA 0.106 nan 4.420 nan 0.000 0.262 635 P C 0.312 177.593 177.300 -0.031 0.000 1.304 635 P CA 0.427 63.489 63.100 -0.062 0.000 0.859 635 P CB 0.108 31.779 31.700 -0.048 0.000 1.310 636 N N -0.787 117.942 118.700 0.049 0.000 2.332 636 N HA 0.054 4.794 4.740 -0.000 0.000 0.190 636 N C 0.115 175.641 175.510 0.027 0.000 1.117 636 N CA 0.200 53.288 53.050 0.063 0.000 0.883 636 N CB 0.239 38.829 38.487 0.172 0.000 1.089 636 N HN -0.085 nan 8.380 nan 0.000 0.480 637 V N 1.683 121.639 119.914 0.071 0.000 2.715 637 V HA 0.397 4.516 4.120 -0.000 0.000 0.310 637 V C 0.454 176.602 176.094 0.089 0.000 1.054 637 V CA -1.046 61.293 62.300 0.066 0.000 0.928 637 V CB 2.484 34.380 31.823 0.122 0.000 1.007 637 V HN 0.043 nan 8.190 nan 0.000 0.437 638 L N 2.858 124.061 121.223 -0.034 0.000 2.485 638 L HA 0.221 4.561 4.340 -0.000 0.000 0.275 638 L C -0.750 176.241 176.870 0.202 0.000 1.207 638 L CA 0.302 55.112 54.840 -0.050 0.000 0.855 638 L CB 0.116 41.977 42.059 -0.329 0.000 1.114 638 L HN 0.453 nan 8.230 nan 0.000 0.485 639 F N 2.200 122.053 119.950 -0.161 0.000 2.388 639 F HA 0.360 4.887 4.527 -0.000 0.000 0.358 639 F C 0.351 176.053 175.800 -0.164 0.000 1.122 639 F CA -0.635 57.282 58.000 -0.139 0.000 1.056 639 F CB 1.296 40.208 39.000 -0.147 0.000 1.155 639 F HN 0.403 nan 8.300 nan 0.000 0.461 640 Q N 5.368 125.146 119.800 -0.036 0.000 2.316 640 Q HA 0.676 5.016 4.340 -0.000 0.000 0.264 640 Q C -0.928 175.032 176.000 -0.066 0.000 0.987 640 Q CA -0.860 54.906 55.803 -0.062 0.000 0.852 640 Q CB 1.985 30.718 28.738 -0.007 0.000 1.287 640 Q HN 0.813 nan 8.270 nan 0.000 0.448 641 M N 2.257 121.796 119.600 -0.102 0.000 2.662 641 M HA 0.540 5.020 4.480 -0.000 0.000 0.310 641 M C -1.809 174.510 176.300 0.032 0.000 1.204 641 M CA -1.120 54.182 55.300 0.004 0.000 0.891 641 M CB 1.629 34.279 32.600 0.083 0.000 1.732 641 M HN 0.541 nan 8.290 nan 0.000 0.467 642 L N 3.050 124.310 121.223 0.062 0.000 2.275 642 L HA 0.654 4.994 4.340 -0.000 0.000 0.288 642 L C -1.788 175.215 176.870 0.223 0.000 1.046 642 L CA -0.434 54.465 54.840 0.099 0.000 0.805 642 L CB 1.369 43.422 42.059 -0.010 0.000 1.193 642 L HN 0.838 nan 8.230 nan 0.000 0.426 643 L N 5.327 126.745 121.223 0.324 0.000 2.343 643 L HA 0.536 4.876 4.340 -0.000 0.000 0.278 643 L C -0.147 176.834 176.870 0.185 0.000 0.996 643 L CA -0.338 54.674 54.840 0.286 0.000 0.831 643 L CB 1.282 43.544 42.059 0.338 0.000 1.232 643 L HN 0.605 nan 8.230 nan 0.000 0.413 644 R N 2.958 123.475 120.500 0.029 0.000 2.449 644 R HA 0.306 4.646 4.340 -0.000 0.000 0.296 644 R C 1.231 177.369 176.300 -0.270 0.000 1.047 644 R CA 0.771 56.649 56.100 -0.371 0.000 1.018 644 R CB 1.169 31.364 30.300 -0.175 0.000 0.962 644 R HN 0.920 nan 8.270 nan 0.000 0.428 645 A N 2.621 125.215 122.820 -0.376 0.000 1.865 645 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 645 A C 2.033 179.551 177.584 -0.110 0.000 1.191 645 A CA 2.116 54.045 52.037 -0.181 0.000 0.623 645 A CB -0.726 18.168 19.000 -0.177 0.000 0.826 645 A HN 0.856 nan 8.150 nan 0.000 0.444 646 S N 0.760 116.394 115.700 -0.110 0.000 2.387 646 S HA -0.153 4.317 4.470 -0.000 0.000 0.226 646 S C 1.187 175.791 174.600 0.007 0.000 1.026 646 S CA 1.356 59.531 58.200 -0.041 0.000 0.972 646 S CB -0.683 62.503 63.200 -0.023 0.000 0.814 646 S HN 0.872 nan 8.310 nan 0.000 0.477 647 N N -0.091 118.607 118.700 -0.003 0.000 2.159 647 N HA 0.617 5.357 4.740 -0.000 0.000 0.217 647 N C 0.911 176.368 175.510 -0.089 0.000 1.223 647 N CA 0.302 53.410 53.050 0.097 0.000 0.896 647 N CB 0.811 39.372 38.487 0.123 0.000 1.064 647 N HN 0.471 nan 8.380 nan 0.000 0.518 648 A N 0.075 122.815 122.820 -0.132 0.000 1.260 648 A HA -0.315 4.005 4.320 -0.000 0.000 0.276 648 A C 1.077 178.495 177.584 -0.278 0.000 1.132 648 A CA 2.014 53.918 52.037 -0.222 0.000 1.094 648 A CB -1.632 17.101 19.000 -0.445 0.000 1.471 648 A HN 0.672 nan 8.150 nan 0.000 0.723 649 V N -0.787 118.846 119.914 -0.469 0.000 3.623 649 V HA 0.503 4.623 4.120 -0.000 0.000 0.283 649 V C 1.096 177.119 176.094 -0.119 0.000 1.643 649 V CA 1.284 63.366 62.300 -0.364 0.000 1.121 649 V CB 0.166 31.547 31.823 -0.736 0.000 0.933 649 V HN 1.720 nan 8.190 nan 0.000 0.420 650 G N -0.118 108.588 108.800 -0.157 0.000 2.489 650 G HA2 0.228 4.188 3.960 -0.000 0.000 0.271 650 G HA3 0.228 4.188 3.960 -0.000 0.000 0.271 650 G C 0.239 175.246 174.900 0.177 0.000 1.427 650 G CA 0.652 45.735 45.100 -0.029 0.000 1.057 650 G HN 0.619 nan 8.290 nan 0.000 0.532 651 Y N -1.853 118.435 120.300 -0.020 0.000 2.425 651 Y HA 0.428 4.978 4.550 -0.000 0.000 0.261 651 Y C 0.923 176.766 175.900 -0.094 0.000 1.084 651 Y CA 0.045 58.136 58.100 -0.016 0.000 1.248 651 Y CB 0.260 38.710 38.460 -0.016 0.000 1.270 651 Y HN 0.496 nan 8.280 nan 0.000 0.524 652 K N 0.467 120.283 120.400 -0.973 0.000 2.158 652 K HA 0.395 4.715 4.320 -0.000 0.000 0.243 652 K C -1.011 175.044 176.600 -0.910 0.000 1.079 652 K CA -0.986 54.726 56.287 -0.958 0.000 0.920 652 K CB 0.546 32.291 32.500 -1.258 0.000 1.400 652 K HN -0.074 nan 8.250 nan 0.000 0.561 653 N N 0.034 118.264 118.700 -0.783 0.000 2.498 653 N HA 0.318 5.058 4.740 -0.000 0.000 0.287 653 N C -1.415 173.652 175.510 -0.737 0.000 1.097 653 N CA -0.131 52.576 53.050 -0.572 0.000 0.973 653 N CB 0.660 38.984 38.487 -0.271 0.000 1.153 653 N HN 0.388 nan 8.380 nan 0.000 0.472 654 Y N 0.274 120.499 120.300 -0.125 0.000 2.477 654 Y HA 0.401 4.951 4.550 -0.000 0.000 0.347 654 Y C -1.989 173.883 175.900 -0.046 0.000 0.981 654 Y CA -2.127 55.913 58.100 -0.100 0.000 1.033 654 Y CB 1.610 40.005 38.460 -0.109 0.000 1.245 654 Y HN 0.399 nan 8.280 nan 0.000 0.455 655 P HA 0.063 nan 4.420 nan 0.000 0.269 655 P C 0.008 177.372 177.300 0.108 0.000 1.209 655 P CA 0.067 63.214 63.100 0.079 0.000 0.776 655 P CB 0.945 32.666 31.700 0.037 0.000 0.876 656 D N 1.779 122.231 120.400 0.088 0.000 2.191 656 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 656 D C 1.552 177.962 176.300 0.183 0.000 1.007 656 D CA 1.770 55.841 54.000 0.118 0.000 0.865 656 D CB -0.646 40.206 40.800 0.087 0.000 0.929 656 D HN 0.530 nan 8.370 nan 0.000 0.447 657 N N 0.794 119.590 118.700 0.160 0.000 2.289 657 N HA -0.130 4.610 4.740 -0.000 0.000 0.184 657 N C 1.697 177.426 175.510 0.366 0.000 1.016 657 N CA 0.927 54.118 53.050 0.234 0.000 0.872 657 N CB -0.703 37.918 38.487 0.223 0.000 0.973 657 N HN 0.199 nan 8.380 nan 0.000 0.433 658 V N 1.296 121.394 119.914 0.307 0.000 2.358 658 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 658 V C 2.469 178.685 176.094 0.204 0.000 1.047 658 V CA 1.191 63.672 62.300 0.301 0.000 1.035 658 V CB -0.448 31.461 31.823 0.143 0.000 0.658 658 V HN 0.204 nan 8.190 nan 0.000 0.452 659 I N -0.673 119.993 120.570 0.159 0.000 2.394 659 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 659 I C 2.441 178.661 176.117 0.172 0.000 1.136 659 I CA 1.533 62.910 61.300 0.128 0.000 1.425 659 I CB -0.461 37.584 38.000 0.074 0.000 1.079 659 I HN 0.333 nan 8.210 nan 0.000 0.425 660 H N 0.775 119.914 119.070 0.114 0.000 2.326 660 H HA -0.177 4.379 4.556 -0.000 0.000 0.301 660 H C 2.303 177.675 175.328 0.075 0.000 1.081 660 H CA 1.874 57.966 56.048 0.074 0.000 1.334 660 H CB 0.139 29.935 29.762 0.057 0.000 1.385 660 H HN 0.123 nan 8.280 nan 0.000 0.504 661 K N -0.297 120.240 120.400 0.228 0.000 2.097 661 K HA -0.162 4.158 4.320 -0.000 0.000 0.205 661 K C 1.987 178.677 176.600 0.150 0.000 1.050 661 K CA 1.300 57.638 56.287 0.086 0.000 0.938 661 K CB -0.263 32.166 32.500 -0.120 0.000 0.718 661 K HN 0.236 nan 8.250 nan 0.000 0.442 662 F N 1.245 121.259 119.950 0.107 0.000 2.095 662 F HA -0.222 4.305 4.527 -0.000 0.000 0.298 662 F C 1.798 177.752 175.800 0.256 0.000 1.104 662 F CA 1.486 59.605 58.000 0.199 0.000 1.232 662 F CB -0.439 38.622 39.000 0.101 0.000 0.987 662 F HN -0.183 nan 8.300 nan 0.000 0.475 663 V N 0.127 120.141 119.914 0.166 0.000 2.332 663 V HA -0.333 3.787 4.120 -0.000 0.000 0.248 663 V C 2.410 178.493 176.094 -0.018 0.000 1.055 663 V CA 2.142 64.453 62.300 0.017 0.000 1.038 663 V CB -0.752 30.980 31.823 -0.151 0.000 0.651 663 V HN 0.319 nan 8.190 nan 0.000 0.450 664 Q N -0.310 119.490 119.800 0.001 0.000 2.096 664 Q HA -0.177 4.163 4.340 -0.000 0.000 0.204 664 Q C 2.280 178.294 176.000 0.023 0.000 0.982 664 Q CA 1.662 57.469 55.803 0.006 0.000 0.850 664 Q CB -0.303 28.445 28.738 0.017 0.000 0.901 664 Q HN 0.588 nan 8.270 nan 0.000 0.422 665 E N -0.901 119.321 120.200 0.036 0.000 2.158 665 E HA 0.011 4.361 4.350 -0.000 0.000 0.191 665 E C 1.998 178.717 176.600 0.198 0.000 0.982 665 E CA 0.677 57.100 56.400 0.039 0.000 0.823 665 E CB -0.007 29.653 29.700 -0.066 0.000 0.766 665 E HN 0.197 nan 8.360 nan 0.000 0.468 666 S N 1.120 116.948 115.700 0.213 0.000 2.402 666 S HA -0.080 4.390 4.470 -0.000 0.000 0.229 666 S C 2.042 176.747 174.600 0.176 0.000 1.021 666 S CA 0.924 59.232 58.200 0.180 0.000 0.974 666 S CB -0.020 63.205 63.200 0.042 0.000 0.800 666 S HN 0.360 nan 8.310 nan 0.000 0.484 667 A N 1.880 124.838 122.820 0.231 0.000 1.897 667 A HA -0.031 4.289 4.320 -0.000 0.000 0.215 667 A C 2.054 179.684 177.584 0.077 0.000 1.181 667 A CA 1.069 53.234 52.037 0.213 0.000 0.620 667 A CB -0.313 18.773 19.000 0.145 0.000 0.821 667 A HN 0.374 nan 8.150 nan 0.000 0.443 668 K N -0.239 120.190 120.400 0.048 0.000 2.026 668 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 668 K C 2.158 178.751 176.600 -0.011 0.000 1.048 668 K CA 1.233 57.523 56.287 0.005 0.000 0.929 668 K CB -0.312 32.182 32.500 -0.010 0.000 0.713 668 K HN 0.421 nan 8.250 nan 0.000 0.439 669 A N 0.078 122.908 122.820 0.017 0.000 2.119 669 A HA 0.043 4.362 4.320 -0.000 0.000 0.217 669 A C 1.483 178.999 177.584 -0.113 0.000 1.153 669 A CA 1.529 53.558 52.037 -0.013 0.000 0.692 669 A CB -0.109 18.951 19.000 0.101 0.000 0.799 669 A HN 0.503 nan 8.150 nan 0.000 0.458 670 G N -1.855 106.872 108.800 -0.122 0.000 2.370 670 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.174 670 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.174 670 G C -0.071 174.725 174.900 -0.173 0.000 1.002 670 G CA -0.145 44.833 45.100 -0.204 0.000 0.730 670 G HN 0.196 nan 8.290 nan 0.000 0.497 671 I N 1.999 122.500 120.570 -0.116 0.000 2.496 671 I HA 0.298 4.468 4.170 -0.000 0.000 0.285 671 I C 0.300 176.375 176.117 -0.070 0.000 1.080 671 I CA 0.259 61.456 61.300 -0.172 0.000 1.404 671 I CB 0.926 38.652 38.000 -0.457 0.000 1.403 671 I HN 0.036 nan 8.210 nan 0.000 0.539 672 D N 4.131 124.485 120.400 -0.076 0.000 2.766 672 D HA 0.083 4.723 4.640 -0.000 0.000 0.284 672 D C 0.259 176.652 176.300 0.155 0.000 1.050 672 D CA 0.763 54.804 54.000 0.068 0.000 0.945 672 D CB 0.757 41.553 40.800 -0.006 0.000 1.272 672 D HN 0.221 nan 8.370 nan 0.000 0.482 673 V N 2.028 121.959 119.914 0.029 0.000 2.407 673 V HA 0.296 4.416 4.120 -0.000 0.000 0.278 673 V C -0.684 175.426 176.094 0.026 0.000 1.037 673 V CA -0.429 61.961 62.300 0.150 0.000 0.900 673 V CB 0.987 32.904 31.823 0.157 0.000 0.983 673 V HN -0.042 nan 8.190 nan 0.000 0.459 674 F N 3.991 124.040 119.950 0.165 0.000 2.366 674 F HA 0.480 5.007 4.527 -0.000 0.000 0.366 674 F C 0.686 176.578 175.800 0.153 0.000 1.096 674 F CA -0.546 57.551 58.000 0.162 0.000 1.060 674 F CB 1.151 40.249 39.000 0.163 0.000 1.282 674 F HN 0.346 nan 8.300 nan 0.000 0.450 675 R N 5.062 125.694 120.500 0.219 0.000 2.325 675 R HA 0.405 4.745 4.340 -0.000 0.000 0.323 675 R C -0.854 175.591 176.300 0.241 0.000 1.177 675 R CA -0.183 56.007 56.100 0.150 0.000 1.018 675 R CB -0.034 30.268 30.300 0.004 0.000 1.070 675 R HN 0.636 nan 8.270 nan 0.000 0.495 676 I N 6.744 127.447 120.570 0.223 0.000 2.315 676 I HA 0.263 4.433 4.170 -0.000 0.000 0.291 676 I C -0.263 175.951 176.117 0.162 0.000 1.006 676 I CA -0.617 60.806 61.300 0.205 0.000 1.265 676 I CB 0.597 38.722 38.000 0.209 0.000 1.387 676 I HN 0.432 nan 8.210 nan 0.000 0.475 677 F N 3.585 123.540 119.950 0.008 0.000 2.577 677 F HA 0.746 5.273 4.527 -0.000 0.000 0.318 677 F C -1.074 174.749 175.800 0.038 0.000 1.065 677 F CA -1.358 56.644 58.000 0.002 0.000 0.929 677 F CB 1.254 40.260 39.000 0.010 0.000 1.237 677 F HN 0.287 nan 8.300 nan 0.000 0.468 678 D N 0.503 120.879 120.400 -0.040 0.000 2.362 678 D HA 0.318 4.958 4.640 -0.000 0.000 0.247 678 D C 0.562 176.921 176.300 0.099 0.000 1.050 678 D CA -0.268 53.670 54.000 -0.102 0.000 0.839 678 D CB 2.176 42.994 40.800 0.030 0.000 1.283 678 D HN 0.691 nan 8.370 nan 0.000 0.477 679 S N 2.713 118.449 115.700 0.059 0.000 2.555 679 S HA -0.024 4.446 4.470 -0.000 0.000 0.230 679 S C 1.103 175.799 174.600 0.160 0.000 0.978 679 S CA 0.430 58.740 58.200 0.183 0.000 0.934 679 S CB -0.245 63.045 63.200 0.151 0.000 0.766 679 S HN 0.573 nan 8.310 nan 0.000 0.533 680 L N 0.305 121.632 121.223 0.173 0.000 3.069 680 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 680 L C -0.034 176.973 176.870 0.228 0.000 1.201 680 L CA -0.371 54.572 54.840 0.172 0.000 1.015 680 L CB -0.242 41.905 42.059 0.145 0.000 1.371 680 L HN 0.074 nan 8.230 nan 0.000 0.574 681 N N -0.276 118.572 118.700 0.246 0.000 2.714 681 N HA -0.232 4.508 4.740 -0.000 0.000 0.250 681 N C -0.615 175.077 175.510 0.303 0.000 1.117 681 N CA 0.683 53.895 53.050 0.269 0.000 0.719 681 N CB -1.108 37.583 38.487 0.339 0.000 1.081 681 N HN 0.465 nan 8.380 nan 0.000 0.557 682 W N 1.440 122.780 121.300 0.067 0.000 2.422 682 W HA 0.442 5.102 4.660 -0.000 0.000 0.349 682 W C 1.023 177.564 176.519 0.036 0.000 1.062 682 W CA -0.941 56.429 57.345 0.043 0.000 1.497 682 W CB -0.100 29.374 29.460 0.024 0.000 1.407 682 W HN -0.058 nan 8.180 nan 0.000 0.393 683 V N 4.699 124.668 119.914 0.093 0.000 2.380 683 V HA -0.331 3.789 4.120 -0.000 0.000 0.251 683 V C 2.334 178.304 176.094 -0.208 0.000 1.063 683 V CA 2.421 64.708 62.300 -0.022 0.000 1.055 683 V CB -0.566 31.285 31.823 0.046 0.000 0.657 683 V HN 0.561 nan 8.190 nan 0.000 0.455 684 D N -0.561 119.530 120.400 -0.515 0.000 2.228 684 D HA -0.203 4.437 4.640 -0.000 0.000 0.203 684 D C 2.203 178.122 176.300 -0.635 0.000 0.988 684 D CA 1.215 54.822 54.000 -0.654 0.000 0.864 684 D CB 0.059 40.277 40.800 -0.970 0.000 0.928 684 D HN 0.528 nan 8.370 nan 0.000 0.469 685 Q N -0.652 118.745 119.800 -0.672 0.000 2.311 685 Q HA -0.024 4.316 4.340 -0.000 0.000 0.203 685 Q C 1.813 177.704 176.000 -0.181 0.000 0.954 685 Q CA 0.508 56.078 55.803 -0.387 0.000 0.885 685 Q CB 0.132 28.720 28.738 -0.250 0.000 0.963 685 Q HN 0.510 nan 8.270 nan 0.000 0.471 686 M N -1.996 117.537 119.600 -0.111 0.000 2.551 686 M HA 0.239 4.719 4.480 -0.000 0.000 0.252 686 M C 0.660 177.009 176.300 0.081 0.000 1.219 686 M CA 0.294 55.609 55.300 0.024 0.000 0.978 686 M CB 0.176 32.830 32.600 0.090 0.000 1.533 686 M HN -0.147 nan 8.290 nan 0.000 0.474 687 K N 0.911 121.291 120.400 -0.035 0.000 2.128 687 K HA 0.088 4.408 4.320 -0.000 0.000 0.202 687 K C 1.983 178.536 176.600 -0.079 0.000 1.050 687 K CA 0.663 56.909 56.287 -0.069 0.000 0.966 687 K CB 0.193 32.636 32.500 -0.095 0.000 0.759 687 K HN 0.172 nan 8.250 nan 0.000 0.454 688 V N 1.701 121.579 119.914 -0.060 0.000 2.343 688 V HA -0.270 3.850 4.120 -0.000 0.000 0.247 688 V C 2.317 178.344 176.094 -0.111 0.000 1.051 688 V CA 2.155 64.433 62.300 -0.036 0.000 1.036 688 V CB -0.690 31.140 31.823 0.011 0.000 0.654 688 V HN 0.346 nan 8.190 nan 0.000 0.451 689 A N 0.628 123.401 122.820 -0.078 0.000 1.858 689 A HA -0.282 4.038 4.320 -0.000 0.000 0.216 689 A C 2.101 179.607 177.584 -0.131 0.000 1.190 689 A CA 2.225 54.209 52.037 -0.087 0.000 0.617 689 A CB -0.924 18.085 19.000 0.015 0.000 0.827 689 A HN 0.591 nan 8.150 nan 0.000 0.443 690 N N 0.022 118.674 118.700 -0.081 0.000 2.060 690 N HA -0.219 4.521 4.740 -0.000 0.000 0.195 690 N C 1.622 176.973 175.510 -0.265 0.000 1.028 690 N CA 2.358 55.281 53.050 -0.211 0.000 0.861 690 N CB -0.329 37.870 38.487 -0.480 0.000 1.029 690 N HN 0.663 nan 8.380 nan 0.000 0.428 691 E N -0.699 119.370 120.200 -0.220 0.000 2.072 691 E HA -0.026 4.324 4.350 -0.000 0.000 0.190 691 E C 1.984 178.468 176.600 -0.194 0.000 0.982 691 E CA 0.888 57.188 56.400 -0.167 0.000 0.803 691 E CB -0.211 29.444 29.700 -0.075 0.000 0.755 691 E HN 0.511 nan 8.360 nan 0.000 0.453 692 A N 0.870 123.457 122.820 -0.388 0.000 1.940 692 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 692 A C 2.439 179.818 177.584 -0.343 0.000 1.176 692 A CA 1.244 52.942 52.037 -0.565 0.000 0.631 692 A CB -0.579 17.899 19.000 -0.870 0.000 0.814 692 A HN 0.124 nan 8.150 nan 0.000 0.446 693 V N -0.159 119.548 119.914 -0.346 0.000 2.379 693 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 693 V C 2.706 178.698 176.094 -0.170 0.000 1.044 693 V CA 1.803 63.879 62.300 -0.374 0.000 1.036 693 V CB -0.706 30.891 31.823 -0.376 0.000 0.664 693 V HN 0.531 nan 8.190 nan 0.000 0.453 694 Q N 0.234 119.959 119.800 -0.125 0.000 2.014 694 Q HA -0.292 4.048 4.340 -0.000 0.000 0.207 694 Q C 2.263 178.248 176.000 -0.025 0.000 0.993 694 Q CA 2.237 58.017 55.803 -0.040 0.000 0.850 694 Q CB -0.564 28.125 28.738 -0.081 0.000 0.916 694 Q HN 0.786 nan 8.270 nan 0.000 0.417 695 E N 0.255 120.427 120.200 -0.047 0.000 2.130 695 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 695 E C 1.588 178.174 176.600 -0.023 0.000 0.998 695 E CA 1.122 57.511 56.400 -0.018 0.000 0.806 695 E CB -0.042 29.667 29.700 0.016 0.000 0.738 695 E HN 0.326 nan 8.360 nan 0.000 0.459 696 A N 0.068 122.853 122.820 -0.059 0.000 2.209 696 A HA 0.129 4.449 4.320 -0.000 0.000 0.212 696 A C 1.770 179.347 177.584 -0.013 0.000 1.158 696 A CA 1.044 53.052 52.037 -0.049 0.000 0.742 696 A CB -0.682 18.253 19.000 -0.108 0.000 0.790 696 A HN 0.516 nan 8.150 nan 0.000 0.472 697 G N -0.782 108.018 108.800 -0.001 0.000 2.179 697 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.257 697 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.257 697 G C 0.112 175.033 174.900 0.034 0.000 1.010 697 G CA 0.812 45.922 45.100 0.016 0.000 0.736 697 G HN 0.501 nan 8.290 nan 0.000 0.513 698 K N -0.517 119.925 120.400 0.069 0.000 2.258 698 K HA 0.657 4.977 4.320 -0.000 0.000 0.236 698 K C 0.666 177.403 176.600 0.229 0.000 1.008 698 K CA -1.307 55.070 56.287 0.149 0.000 0.869 698 K CB 1.342 34.012 32.500 0.284 0.000 1.171 698 K HN 0.163 nan 8.250 nan 0.000 0.447 699 I N 0.967 121.713 120.570 0.293 0.000 2.496 699 I HA -0.013 4.157 4.170 -0.000 0.000 0.285 699 I C 0.546 176.982 176.117 0.531 0.000 1.080 699 I CA 0.168 61.719 61.300 0.418 0.000 1.404 699 I CB 0.943 39.136 38.000 0.321 0.000 1.403 699 I HN 0.314 nan 8.210 nan 0.000 0.539 700 S N 6.324 122.384 115.700 0.601 0.000 2.498 700 S HA 0.265 4.735 4.470 -0.000 0.000 0.324 700 S C -0.340 174.520 174.600 0.433 0.000 1.071 700 S CA -0.710 57.729 58.200 0.399 0.000 1.113 700 S CB 0.318 63.601 63.200 0.138 0.000 0.976 700 S HN 0.507 nan 8.310 nan 0.000 0.462 701 E N 3.160 123.572 120.200 0.353 0.000 2.130 701 E HA 0.347 4.697 4.350 -0.000 0.000 0.284 701 E C 0.358 176.925 176.600 -0.055 0.000 1.018 701 E CA -0.431 56.077 56.400 0.181 0.000 0.817 701 E CB 1.143 30.906 29.700 0.104 0.000 1.078 701 E HN 0.718 nan 8.360 nan 0.000 0.396 702 G N 2.727 111.304 108.800 -0.371 0.000 2.355 702 G HA2 0.235 4.195 3.960 -0.000 0.000 0.276 702 G HA3 0.235 4.195 3.960 -0.000 0.000 0.276 702 G C -0.261 174.420 174.900 -0.366 0.000 1.198 702 G CA -0.193 44.323 45.100 -0.972 0.000 0.876 702 G HN 0.332 nan 8.290 nan 0.000 0.478 703 T N 2.394 116.796 114.554 -0.252 0.000 2.829 703 T HA 0.490 4.840 4.350 -0.000 0.000 0.280 703 T C 0.042 174.762 174.700 0.033 0.000 0.999 703 T CA -0.249 61.827 62.100 -0.041 0.000 0.983 703 T CB 1.612 70.526 68.868 0.076 0.000 0.968 703 T HN 0.344 nan 8.240 nan 0.000 0.446 704 I N 1.933 122.558 120.570 0.092 0.000 2.339 704 I HA 0.300 4.470 4.170 -0.000 0.000 0.290 704 I C -0.002 176.257 176.117 0.237 0.000 0.994 704 I CA -0.705 60.714 61.300 0.198 0.000 1.191 704 I CB 1.021 39.180 38.000 0.265 0.000 1.343 704 I HN 0.581 nan 8.210 nan 0.000 0.458 705 C N 6.061 125.523 119.300 0.270 0.000 2.499 705 C HA 0.184 4.644 4.460 -0.000 0.000 0.386 705 C C 0.099 175.276 174.990 0.311 0.000 1.293 705 C CA -0.358 58.807 59.018 0.246 0.000 1.884 705 C CB -0.657 27.212 27.740 0.215 0.000 2.509 705 C HN 0.544 nan 8.230 nan 0.000 0.566 706 Y N 3.317 123.695 120.300 0.131 0.000 2.313 706 Y HA 0.535 5.085 4.550 -0.000 0.000 0.332 706 Y C 0.561 176.488 175.900 0.045 0.000 1.071 706 Y CA 0.335 58.504 58.100 0.116 0.000 1.169 706 Y CB 0.776 39.223 38.460 -0.022 0.000 1.192 706 Y HN 0.809 nan 8.280 nan 0.000 0.487 707 T N 3.195 117.411 114.554 -0.563 0.000 2.865 707 T HA 0.748 5.098 4.350 -0.000 0.000 0.294 707 T C 0.145 174.435 174.700 -0.683 0.000 1.119 707 T CA -0.304 61.452 62.100 -0.573 0.000 1.007 707 T CB 1.239 69.736 68.868 -0.617 0.000 1.225 707 T HN 1.238 nan 8.240 nan 0.000 0.515 708 G N 0.913 109.496 108.800 -0.363 0.000 2.525 708 G HA2 0.052 4.012 3.960 -0.000 0.000 0.248 708 G HA3 0.052 4.012 3.960 -0.000 0.000 0.248 708 G C -1.169 173.676 174.900 -0.092 0.000 1.238 708 G CA 0.406 45.407 45.100 -0.164 0.000 0.926 708 G HN 1.045 nan 8.290 nan 0.000 0.574 709 D N -0.388 120.030 120.400 0.030 0.000 2.452 709 D HA 0.389 5.029 4.640 -0.000 0.000 0.226 709 D C 1.349 177.754 176.300 0.174 0.000 1.366 709 D CA 0.107 54.192 54.000 0.140 0.000 0.986 709 D CB 0.375 41.234 40.800 0.097 0.000 1.420 709 D HN 0.998 nan 8.370 nan 0.000 0.583 710 I N 0.627 121.359 120.570 0.270 0.000 2.830 710 I HA 0.010 4.180 4.170 -0.000 0.000 0.263 710 I C 1.357 177.571 176.117 0.161 0.000 1.230 710 I CA 0.468 61.918 61.300 0.249 0.000 1.480 710 I CB -0.026 38.168 38.000 0.323 0.000 1.095 710 I HN 0.278 nan 8.210 nan 0.000 0.455 711 L N 0.869 122.169 121.223 0.128 0.000 2.291 711 L HA 0.016 4.356 4.340 -0.000 0.000 0.214 711 L C 0.819 177.724 176.870 0.058 0.000 1.120 711 L CA 0.608 55.494 54.840 0.076 0.000 0.799 711 L CB -0.550 41.535 42.059 0.043 0.000 0.925 711 L HN 0.365 nan 8.230 nan 0.000 0.446 712 N N 0.005 118.745 118.700 0.067 0.000 2.501 712 N HA 0.170 4.910 4.740 -0.000 0.000 0.245 712 N C -1.973 173.574 175.510 0.062 0.000 0.974 712 N CA -1.910 51.171 53.050 0.052 0.000 0.941 712 N CB 1.716 40.230 38.487 0.044 0.000 1.122 712 N HN -0.192 nan 8.380 nan 0.000 0.507 713 P HA -0.006 nan 4.420 nan 0.000 0.223 713 P C -0.305 177.018 177.300 0.039 0.000 1.151 713 P CA 1.070 64.197 63.100 0.046 0.000 0.787 713 P CB 0.407 32.127 31.700 0.034 0.000 0.788 714 E N -1.384 118.837 120.200 0.034 0.000 2.370 714 E HA 0.098 4.448 4.350 -0.000 0.000 0.194 714 E C 1.595 178.223 176.600 0.046 0.000 1.057 714 E CA -0.127 56.287 56.400 0.024 0.000 1.011 714 E CB -0.127 29.576 29.700 0.006 0.000 1.132 714 E HN -0.082 nan 8.360 nan 0.000 0.450 715 R N -0.007 120.540 120.500 0.078 0.000 2.087 715 R HA 0.288 4.628 4.340 -0.000 0.000 0.216 715 R C 0.741 177.152 176.300 0.184 0.000 1.114 715 R CA 0.643 56.822 56.100 0.131 0.000 1.002 715 R CB 0.213 30.584 30.300 0.118 0.000 0.903 715 R HN 0.210 nan 8.270 nan 0.000 0.445 716 S N -2.797 112.979 115.700 0.126 0.000 2.930 716 S HA 0.263 4.733 4.470 -0.000 0.000 0.306 716 S C 0.602 175.213 174.600 0.018 0.000 1.238 716 S CA 0.047 58.311 58.200 0.106 0.000 1.000 716 S CB -0.342 62.938 63.200 0.132 0.000 1.342 716 S HN -0.011 nan 8.310 nan 0.000 0.575 717 I N 0.345 120.744 120.570 -0.284 0.000 3.931 717 I HA -0.334 3.836 4.170 -0.000 0.000 0.141 717 I C 0.454 176.131 176.117 -0.733 0.000 0.590 717 I CA 2.408 63.366 61.300 -0.570 0.000 1.096 717 I CB -1.143 36.301 38.000 -0.926 0.000 0.947 717 I HN 0.649 nan 8.210 nan 0.000 0.238 718 Y N 1.883 121.944 120.300 -0.398 0.000 2.623 718 Y HA 0.332 4.882 4.550 -0.000 0.000 0.341 718 Y C 0.772 176.584 175.900 -0.147 0.000 1.292 718 Y CA -0.343 57.437 58.100 -0.534 0.000 1.840 718 Y CB -0.191 38.009 38.460 -0.433 0.000 1.865 718 Y HN 0.048 nan 8.280 nan 0.000 0.440 719 T N 1.620 116.192 114.554 0.029 0.000 2.945 719 T HA 0.103 4.453 4.350 -0.000 0.000 0.286 719 T C 1.073 175.983 174.700 0.351 0.000 1.025 719 T CA -0.747 61.461 62.100 0.179 0.000 1.039 719 T CB 1.703 70.633 68.868 0.103 0.000 1.068 719 T HN 0.436 nan 8.240 nan 0.000 0.497 720 L N 1.837 123.267 121.223 0.346 0.000 2.043 720 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 720 L C 2.422 179.469 176.870 0.296 0.000 1.075 720 L CA 2.085 57.145 54.840 0.367 0.000 0.752 720 L CB -0.489 41.706 42.059 0.226 0.000 0.891 720 L HN 0.791 nan 8.230 nan 0.000 0.432 721 E N -1.486 118.832 120.200 0.197 0.000 2.110 721 E HA -0.318 4.032 4.350 -0.000 0.000 0.193 721 E C 2.159 178.833 176.600 0.123 0.000 0.988 721 E CA 1.695 58.176 56.400 0.135 0.000 0.804 721 E CB -0.650 29.106 29.700 0.093 0.000 0.745 721 E HN 0.647 nan 8.360 nan 0.000 0.458 722 Y N -0.267 120.023 120.300 -0.017 0.000 2.128 722 Y HA -0.310 4.240 4.550 -0.000 0.000 0.284 722 Y C 1.688 177.529 175.900 -0.099 0.000 1.154 722 Y CA 2.243 60.268 58.100 -0.126 0.000 1.149 722 Y CB -0.544 37.746 38.460 -0.283 0.000 0.976 722 Y HN 0.140 nan 8.280 nan 0.000 0.505 723 Y N -1.128 119.265 120.300 0.154 0.000 2.200 723 Y HA -0.204 4.346 4.550 -0.000 0.000 0.290 723 Y C 2.572 178.463 175.900 -0.015 0.000 1.137 723 Y CA 1.368 59.503 58.100 0.058 0.000 1.163 723 Y CB -0.648 37.950 38.460 0.230 0.000 0.988 723 Y HN -0.025 nan 8.280 nan 0.000 0.518 724 V N 0.284 120.296 119.914 0.164 0.000 2.343 724 V HA -0.325 3.795 4.120 -0.000 0.000 0.247 724 V C 2.125 178.230 176.094 0.019 0.000 1.051 724 V CA 1.961 64.311 62.300 0.084 0.000 1.036 724 V CB -0.498 31.373 31.823 0.080 0.000 0.654 724 V HN 0.349 nan 8.190 nan 0.000 0.451 725 K N -0.754 119.628 120.400 -0.029 0.000 2.057 725 K HA -0.155 4.165 4.320 -0.000 0.000 0.207 725 K C 2.040 178.582 176.600 -0.097 0.000 1.049 725 K CA 1.184 57.433 56.287 -0.062 0.000 0.931 725 K CB -0.300 32.153 32.500 -0.079 0.000 0.714 725 K HN 0.209 nan 8.250 nan 0.000 0.440 726 L N 0.829 121.938 121.223 -0.190 0.000 2.017 726 L HA -0.121 4.219 4.340 -0.000 0.000 0.208 726 L C 2.166 179.010 176.870 -0.043 0.000 1.073 726 L CA 1.786 56.526 54.840 -0.167 0.000 0.745 726 L CB -0.784 41.099 42.059 -0.293 0.000 0.894 726 L HN 0.143 nan 8.230 nan 0.000 0.432 727 A N -1.024 121.795 122.820 -0.002 0.000 1.940 727 A HA -0.256 4.064 4.320 -0.000 0.000 0.219 727 A C 2.350 179.951 177.584 0.028 0.000 1.176 727 A CA 1.948 54.000 52.037 0.025 0.000 0.631 727 A CB -0.482 18.545 19.000 0.044 0.000 0.814 727 A HN 0.456 nan 8.150 nan 0.000 0.446 728 K N -0.481 119.931 120.400 0.019 0.000 2.148 728 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 728 K C 1.935 178.556 176.600 0.034 0.000 1.050 728 K CA 1.324 57.626 56.287 0.025 0.000 0.942 728 K CB -0.111 32.399 32.500 0.016 0.000 0.724 728 K HN 0.612 nan 8.250 nan 0.000 0.446 729 E N 0.773 120.990 120.200 0.028 0.000 2.072 729 E HA -0.155 4.195 4.350 -0.000 0.000 0.191 729 E C 2.067 178.725 176.600 0.096 0.000 0.985 729 E CA 0.910 57.337 56.400 0.046 0.000 0.801 729 E CB -0.045 29.675 29.700 0.032 0.000 0.750 729 E HN 0.254 nan 8.360 nan 0.000 0.452 730 L N 0.795 122.084 121.223 0.110 0.000 2.056 730 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 730 L C 2.679 179.721 176.870 0.287 0.000 1.078 730 L CA 1.103 56.081 54.840 0.231 0.000 0.749 730 L CB -0.397 41.676 42.059 0.023 0.000 0.901 730 L HN 0.147 nan 8.230 nan 0.000 0.433 731 E N 0.800 121.089 120.200 0.149 0.000 2.038 731 E HA -0.311 4.039 4.350 -0.000 0.000 0.195 731 E C 2.358 179.009 176.600 0.085 0.000 1.000 731 E CA 1.534 58.004 56.400 0.116 0.000 0.803 731 E CB -0.041 29.703 29.700 0.074 0.000 0.750 731 E HN 0.233 nan 8.360 nan 0.000 0.448 732 R N 0.128 120.668 120.500 0.066 0.000 2.127 732 R HA -0.153 4.187 4.340 -0.000 0.000 0.238 732 R C 1.945 178.251 176.300 0.009 0.000 1.134 732 R CA 1.592 57.713 56.100 0.034 0.000 0.975 732 R CB 0.023 30.342 30.300 0.031 0.000 0.865 732 R HN 0.184 nan 8.270 nan 0.000 0.447 733 E N -0.833 119.386 120.200 0.032 0.000 2.409 733 E HA -0.041 4.309 4.350 -0.000 0.000 0.198 733 E C 0.979 177.431 176.600 -0.246 0.000 1.024 733 E CA 1.029 57.384 56.400 -0.075 0.000 0.861 733 E CB 0.242 29.944 29.700 0.003 0.000 0.788 733 E HN 0.624 nan 8.360 nan 0.000 0.521 734 G N 0.912 109.616 108.800 -0.160 0.000 2.130 734 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 734 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 734 G C -0.010 174.661 174.900 -0.381 0.000 0.999 734 G CA -0.172 44.795 45.100 -0.220 0.000 0.686 734 G HN 0.162 nan 8.290 nan 0.000 0.515 735 F N 0.729 120.578 119.950 -0.169 0.000 2.471 735 F HA 0.399 4.926 4.527 -0.000 0.000 0.353 735 F C 1.935 177.629 175.800 -0.177 0.000 1.113 735 F CA -0.024 57.850 58.000 -0.211 0.000 1.262 735 F CB 0.598 39.557 39.000 -0.068 0.000 1.146 735 F HN 0.107 nan 8.300 nan 0.000 0.578 736 H N 2.571 121.796 119.070 0.258 0.000 2.448 736 H HA 0.265 4.821 4.556 -0.000 0.000 0.292 736 H C 0.336 175.769 175.328 0.176 0.000 1.035 736 H CA 1.014 57.173 56.048 0.185 0.000 1.349 736 H CB 0.300 30.169 29.762 0.177 0.000 1.425 736 H HN 0.327 nan 8.280 nan 0.000 0.539 737 I N 1.231 121.973 120.570 0.286 0.000 2.582 737 I HA 0.104 4.274 4.170 -0.000 0.000 0.292 737 I C -0.893 175.291 176.117 0.110 0.000 1.066 737 I CA -1.069 60.342 61.300 0.184 0.000 1.053 737 I CB 3.146 41.264 38.000 0.196 0.000 1.241 737 I HN -0.125 nan 8.210 nan 0.000 0.421 738 L N 6.204 127.466 121.223 0.065 0.000 2.319 738 L HA 0.698 5.038 4.340 -0.000 0.000 0.280 738 L C -0.048 176.836 176.870 0.023 0.000 1.099 738 L CA 0.331 55.182 54.840 0.019 0.000 0.828 738 L CB 0.782 42.851 42.059 0.018 0.000 1.150 738 L HN 0.703 nan 8.230 nan 0.000 0.442 739 A N 6.311 129.127 122.820 -0.007 0.000 2.350 739 A HA 0.769 5.089 4.320 -0.000 0.000 0.324 739 A C -0.783 176.811 177.584 0.017 0.000 1.118 739 A CA -0.540 51.498 52.037 0.002 0.000 0.783 739 A CB 0.738 19.699 19.000 -0.066 0.000 1.236 739 A HN 0.673 nan 8.150 nan 0.000 0.457 740 I N 1.912 122.506 120.570 0.040 0.000 2.354 740 I HA 0.280 4.450 4.170 -0.000 0.000 0.286 740 I C 0.151 176.325 176.117 0.094 0.000 1.007 740 I CA -0.248 61.085 61.300 0.055 0.000 1.167 740 I CB 1.620 39.621 38.000 0.002 0.000 1.320 740 I HN 0.649 nan 8.210 nan 0.000 0.458 741 K N 4.970 125.433 120.400 0.104 0.000 2.263 741 K HA 0.146 4.466 4.320 -0.000 0.000 0.282 741 K C -0.456 176.258 176.600 0.190 0.000 1.089 741 K CA -0.389 55.981 56.287 0.139 0.000 0.907 741 K CB 0.489 32.982 32.500 -0.012 0.000 1.148 741 K HN 0.414 nan 8.250 nan 0.000 0.470 742 D N 6.132 126.662 120.400 0.217 0.000 2.557 742 D HA 0.014 4.654 4.640 -0.000 0.000 0.236 742 D C 1.394 177.848 176.300 0.256 0.000 1.154 742 D CA -0.483 53.638 54.000 0.202 0.000 0.985 742 D CB 0.542 41.400 40.800 0.097 0.000 1.010 742 D HN 0.561 nan 8.370 nan 0.000 0.516 743 M N 0.749 120.479 119.600 0.217 0.000 2.279 743 M HA -0.010 4.470 4.480 -0.000 0.000 0.264 743 M C 1.147 177.427 176.300 -0.034 0.000 1.062 743 M CA 1.251 56.636 55.300 0.141 0.000 1.099 743 M CB -0.993 31.625 32.600 0.030 0.000 1.394 743 M HN 0.254 nan 8.290 nan 0.000 0.426 744 A N 0.095 122.936 122.820 0.035 0.000 2.348 744 A HA 0.526 4.846 4.320 -0.000 0.000 0.224 744 A C 1.606 179.194 177.584 0.006 0.000 1.227 744 A CA 0.545 52.576 52.037 -0.010 0.000 0.885 744 A CB -0.631 18.375 19.000 0.010 0.000 0.933 744 A HN 0.864 nan 8.150 nan 0.000 0.506 745 G N -0.350 108.495 108.800 0.075 0.000 2.198 745 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.257 745 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.257 745 G C 0.628 175.572 174.900 0.074 0.000 1.042 745 G CA 0.540 45.669 45.100 0.049 0.000 0.791 745 G HN 0.450 nan 8.290 nan 0.000 0.502 746 L N -1.152 120.181 121.223 0.182 0.000 2.341 746 L HA 0.239 4.579 4.340 -0.000 0.000 0.214 746 L C 1.713 178.846 176.870 0.438 0.000 1.115 746 L CA -0.038 55.000 54.840 0.330 0.000 0.820 746 L CB -0.014 42.225 42.059 0.300 0.000 0.944 746 L HN 0.318 nan 8.230 nan 0.000 0.452 747 L N 2.191 123.556 121.223 0.237 0.000 2.617 747 L HA 0.051 4.391 4.340 -0.000 0.000 0.282 747 L C 0.528 177.404 176.870 0.011 0.000 1.174 747 L CA 0.426 55.215 54.840 -0.084 0.000 1.016 747 L CB -0.663 41.119 42.059 -0.461 0.000 1.337 747 L HN -0.001 nan 8.230 nan 0.000 0.460 748 K N 5.413 125.858 120.400 0.075 0.000 2.286 748 K HA 0.075 4.395 4.320 -0.000 0.000 0.256 748 K C -1.511 175.085 176.600 -0.006 0.000 0.999 748 K CA -1.066 55.239 56.287 0.030 0.000 0.908 748 K CB -0.021 32.449 32.500 -0.050 0.000 0.981 748 K HN 0.293 nan 8.250 nan 0.000 0.500 749 P HA -0.251 nan 4.420 nan 0.000 0.213 749 P C 1.003 178.312 177.300 0.015 0.000 1.176 749 P CA 1.366 64.463 63.100 -0.004 0.000 0.919 749 P CB 0.207 31.896 31.700 -0.017 0.000 0.791 750 K N -0.350 120.049 120.400 -0.001 0.000 2.063 750 K HA -0.082 4.238 4.320 -0.000 0.000 0.208 750 K C 2.049 178.690 176.600 0.069 0.000 1.048 750 K CA 1.861 58.161 56.287 0.020 0.000 0.928 750 K CB -1.220 31.272 32.500 -0.013 0.000 0.713 750 K HN 0.004 nan 8.250 nan 0.000 0.442 751 A N 0.821 123.662 122.820 0.034 0.000 1.908 751 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 751 A C 2.359 179.926 177.584 -0.028 0.000 1.181 751 A CA 2.383 54.438 52.037 0.029 0.000 0.627 751 A CB -0.665 18.360 19.000 0.043 0.000 0.818 751 A HN 0.361 nan 8.150 nan 0.000 0.445 752 A N -1.777 121.012 122.820 -0.051 0.000 1.930 752 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 752 A C 2.130 179.703 177.584 -0.018 0.000 1.175 752 A CA 1.568 53.556 52.037 -0.082 0.000 0.627 752 A CB -0.763 18.201 19.000 -0.059 0.000 0.815 752 A HN 0.712 nan 8.150 nan 0.000 0.443 753 Y N 0.514 120.775 120.300 -0.065 0.000 2.114 753 Y HA -0.204 4.346 4.550 -0.000 0.000 0.284 753 Y C 2.430 178.306 175.900 -0.040 0.000 1.143 753 Y CA 2.270 60.340 58.100 -0.051 0.000 1.135 753 Y CB -0.188 38.247 38.460 -0.040 0.000 0.980 753 Y HN 0.420 nan 8.280 nan 0.000 0.499 754 E N -0.085 120.216 120.200 0.168 0.000 2.038 754 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 754 E C 2.131 178.728 176.600 -0.006 0.000 1.000 754 E CA 1.535 57.990 56.400 0.093 0.000 0.803 754 E CB -0.418 29.352 29.700 0.116 0.000 0.750 754 E HN 0.447 nan 8.360 nan 0.000 0.448 755 L N 0.846 122.051 121.223 -0.030 0.000 1.970 755 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 755 L C 2.286 179.105 176.870 -0.084 0.000 1.071 755 L CA 1.537 56.341 54.840 -0.060 0.000 0.751 755 L CB -0.236 41.726 42.059 -0.160 0.000 0.889 755 L HN 0.102 nan 8.230 nan 0.000 0.432 756 I N -0.794 119.699 120.570 -0.129 0.000 2.394 756 I HA -0.173 3.997 4.170 -0.000 0.000 0.251 756 I C 2.356 178.378 176.117 -0.159 0.000 1.136 756 I CA 1.120 62.336 61.300 -0.139 0.000 1.425 756 I CB -0.753 37.156 38.000 -0.153 0.000 1.079 756 I HN 0.402 nan 8.210 nan 0.000 0.425 757 G N 0.206 108.873 108.800 -0.221 0.000 2.421 757 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 757 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 757 G C 1.549 176.382 174.900 -0.112 0.000 1.171 757 G CA 0.461 45.428 45.100 -0.223 0.000 0.775 757 G HN 0.273 nan 8.290 nan 0.000 0.543 758 E N 0.386 120.545 120.200 -0.067 0.000 2.150 758 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 758 E C 2.653 179.247 176.600 -0.011 0.000 0.985 758 E CA 0.399 56.788 56.400 -0.018 0.000 0.814 758 E CB -0.195 29.518 29.700 0.021 0.000 0.752 758 E HN 0.437 nan 8.360 nan 0.000 0.466 759 L N 0.661 121.871 121.223 -0.022 0.000 2.156 759 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 759 L C 2.478 179.333 176.870 -0.026 0.000 1.095 759 L CA 0.772 55.604 54.840 -0.012 0.000 0.770 759 L CB -0.247 41.803 42.059 -0.015 0.000 0.914 759 L HN -0.012 nan 8.230 nan 0.000 0.439 760 K N -0.343 120.026 120.400 -0.052 0.000 2.057 760 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 760 K C 2.379 178.958 176.600 -0.036 0.000 1.049 760 K CA 1.562 57.817 56.287 -0.054 0.000 0.931 760 K CB -0.249 32.202 32.500 -0.081 0.000 0.714 760 K HN 0.166 nan 8.250 nan 0.000 0.440 761 S N 0.626 116.307 115.700 -0.033 0.000 2.356 761 S HA -0.128 4.342 4.470 -0.000 0.000 0.223 761 S C 2.049 176.646 174.600 -0.005 0.000 1.032 761 S CA 1.412 59.601 58.200 -0.018 0.000 1.005 761 S CB -0.071 63.120 63.200 -0.015 0.000 0.867 761 S HN 0.352 nan 8.310 nan 0.000 0.449 762 A N 1.043 123.864 122.820 0.002 0.000 1.930 762 A HA 0.323 4.643 4.320 -0.000 0.000 0.215 762 A C 1.231 178.823 177.584 0.014 0.000 1.176 762 A CA 1.118 53.162 52.037 0.012 0.000 0.632 762 A CB -0.614 18.399 19.000 0.022 0.000 0.819 762 A HN 0.830 nan 8.150 nan 0.000 0.445 766 L N 2.318 123.565 121.223 0.040 0.000 2.371 766 L HA 0.411 4.751 4.340 -0.000 0.000 0.272 766 L C -2.001 174.883 176.870 0.022 0.000 1.124 766 L CA -1.349 53.523 54.840 0.053 0.000 0.816 766 L CB -0.005 42.097 42.059 0.071 0.000 1.129 766 L HN -0.257 nan 8.230 nan 0.000 0.448 767 P HA 0.185 nan 4.420 nan 0.000 0.269 767 P C -0.824 176.457 177.300 -0.031 0.000 1.209 767 P CA -0.026 63.056 63.100 -0.030 0.000 0.776 767 P CB 0.490 32.163 31.700 -0.044 0.000 0.876 768 I N 1.969 122.499 120.570 -0.067 0.000 2.359 768 I HA 0.280 4.450 4.170 -0.000 0.000 0.294 768 I C 0.429 176.503 176.117 -0.072 0.000 0.987 768 I CA -0.180 61.090 61.300 -0.051 0.000 1.225 768 I CB 0.890 38.852 38.000 -0.063 0.000 1.366 768 I HN 0.375 nan 8.210 nan 0.000 0.466 769 H N 6.053 125.050 119.070 -0.122 0.000 2.725 769 H HA 0.496 5.052 4.556 -0.000 0.000 0.283 769 H C -1.186 174.093 175.328 -0.082 0.000 1.110 769 H CA -0.956 55.009 56.048 -0.140 0.000 1.289 769 H CB 0.999 30.684 29.762 -0.128 0.000 1.400 769 H HN 0.494 nan 8.280 nan 0.000 0.493 770 L N 5.176 126.435 121.223 0.060 0.000 2.276 770 L HA 0.273 4.613 4.340 -0.000 0.000 0.286 770 L C -0.924 176.054 176.870 0.179 0.000 1.061 770 L CA -0.236 54.644 54.840 0.067 0.000 0.807 770 L CB 0.508 42.544 42.059 -0.038 0.000 1.177 770 L HN 0.731 nan 8.230 nan 0.000 0.429 771 H N 2.861 121.986 119.070 0.091 0.000 2.538 771 H HA 0.722 5.278 4.556 -0.000 0.000 0.353 771 H C -0.961 174.399 175.328 0.054 0.000 1.109 771 H CA -0.084 56.011 56.048 0.079 0.000 1.192 771 H CB 1.544 31.303 29.762 -0.004 0.000 1.555 771 H HN 0.748 nan 8.280 nan 0.000 0.518 772 T N 3.262 117.504 114.554 -0.520 0.000 2.762 772 T HA 0.312 4.662 4.350 -0.000 0.000 0.301 772 T C -1.745 172.547 174.700 -0.680 0.000 1.299 772 T CA -0.726 61.126 62.100 -0.413 0.000 1.005 772 T CB 0.906 69.657 68.868 -0.196 0.000 1.377 772 T HN 0.716 nan 8.240 nan 0.000 0.504 773 H N 1.805 120.713 119.070 -0.270 0.000 2.495 773 H HA 0.295 4.851 4.556 -0.000 0.000 0.348 773 H C -0.620 174.598 175.328 -0.184 0.000 1.113 773 H CA -0.463 55.458 56.048 -0.212 0.000 1.195 773 H CB 2.040 31.724 29.762 -0.130 0.000 1.521 773 H HN 0.644 nan 8.280 nan 0.000 0.509 774 D N 1.863 122.211 120.400 -0.087 0.000 2.413 774 D HA -0.070 4.570 4.640 -0.000 0.000 0.237 774 D C 1.624 177.899 176.300 -0.042 0.000 1.171 774 D CA 0.140 54.079 54.000 -0.101 0.000 0.839 774 D CB 0.107 40.832 40.800 -0.125 0.000 0.950 774 D HN 0.588 nan 8.370 nan 0.000 0.499 775 T N -2.158 112.388 114.554 -0.013 0.000 2.962 775 T HA -0.155 4.194 4.350 -0.000 0.000 0.270 775 T C 1.800 176.476 174.700 -0.039 0.000 1.088 775 T CA 1.801 63.900 62.100 -0.002 0.000 1.127 775 T CB -0.201 68.678 68.868 0.019 0.000 0.883 775 T HN 0.189 nan 8.240 nan 0.000 0.493 776 S N -0.790 114.860 115.700 -0.083 0.000 2.501 776 S HA 0.393 4.863 4.470 -0.000 0.000 0.220 776 S C 1.974 176.563 174.600 -0.018 0.000 0.997 776 S CA 0.786 58.924 58.200 -0.102 0.000 0.919 776 S CB -0.313 62.810 63.200 -0.129 0.000 0.778 776 S HN 1.075 nan 8.310 nan 0.000 0.523 777 G N 1.767 110.556 108.800 -0.018 0.000 2.195 777 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.246 777 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.246 777 G C 0.367 175.261 174.900 -0.011 0.000 0.984 777 G CA 0.217 45.312 45.100 -0.009 0.000 0.633 777 G HN 0.618 nan 8.290 nan 0.000 0.525 778 N N 0.606 119.304 118.700 -0.003 0.000 2.251 778 N HA 0.368 5.108 4.740 -0.000 0.000 0.217 778 N C 2.055 177.525 175.510 -0.066 0.000 1.124 778 N CA 0.352 53.398 53.050 -0.005 0.000 0.843 778 N CB 0.263 38.782 38.487 0.054 0.000 1.024 778 N HN 0.371 nan 8.380 nan 0.000 0.501 779 G N 1.376 110.101 108.800 -0.126 0.000 2.459 779 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.217 779 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.217 779 G C 1.348 176.055 174.900 -0.322 0.000 1.183 779 G CA 0.626 45.560 45.100 -0.277 0.000 0.776 779 G HN 0.173 nan 8.290 nan 0.000 0.552 780 L N -0.187 120.926 121.223 -0.184 0.000 1.994 780 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 780 L C 2.858 179.709 176.870 -0.032 0.000 1.071 780 L CA 0.652 55.439 54.840 -0.088 0.000 0.745 780 L CB -0.566 41.478 42.059 -0.024 0.000 0.892 780 L HN 0.180 nan 8.230 nan 0.000 0.431 781 L N -0.493 120.706 121.223 -0.039 0.000 1.997 781 L HA -0.308 4.032 4.340 -0.000 0.000 0.216 781 L C 2.668 179.531 176.870 -0.013 0.000 1.074 781 L CA 1.929 56.752 54.840 -0.029 0.000 0.763 781 L CB -0.403 41.642 42.059 -0.025 0.000 0.890 781 L HN 0.324 nan 8.230 nan 0.000 0.434 782 T N -1.234 113.306 114.554 -0.023 0.000 2.699 782 T HA -0.279 4.071 4.350 -0.000 0.000 0.268 782 T C 1.627 176.397 174.700 0.116 0.000 1.036 782 T CA 1.709 63.814 62.100 0.007 0.000 1.147 782 T CB -0.425 68.416 68.868 -0.045 0.000 0.862 782 T HN 0.415 nan 8.240 nan 0.000 0.446 783 Y N 0.716 120.974 120.300 -0.070 0.000 2.242 783 Y HA -0.098 4.452 4.550 -0.000 0.000 0.291 783 Y C 2.827 178.675 175.900 -0.087 0.000 1.137 783 Y CA 0.474 58.526 58.100 -0.079 0.000 1.181 783 Y CB 0.028 38.445 38.460 -0.072 0.000 0.989 783 Y HN 0.022 nan 8.280 nan 0.000 0.527 784 K N 0.510 120.948 120.400 0.063 0.000 2.097 784 K HA -0.187 4.133 4.320 -0.000 0.000 0.206 784 K C 1.769 178.332 176.600 -0.062 0.000 1.049 784 K CA 1.224 57.468 56.287 -0.071 0.000 0.933 784 K CB -0.040 32.365 32.500 -0.159 0.000 0.717 784 K HN 0.372 nan 8.250 nan 0.000 0.442 785 Q N -0.272 119.530 119.800 0.004 0.000 2.123 785 Q HA -0.039 4.301 4.340 -0.000 0.000 0.199 785 Q C 2.065 178.112 176.000 0.078 0.000 0.966 785 Q CA 1.231 57.087 55.803 0.089 0.000 0.845 785 Q CB -0.243 28.560 28.738 0.109 0.000 0.907 785 Q HN 0.325 nan 8.270 nan 0.000 0.439 786 A N 0.924 123.753 122.820 0.015 0.000 1.933 786 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 786 A C 2.161 179.683 177.584 -0.103 0.000 1.175 786 A CA 1.098 53.101 52.037 -0.057 0.000 0.628 786 A CB -0.643 18.323 19.000 -0.055 0.000 0.814 786 A HN 0.295 nan 8.150 nan 0.000 0.444 787 I N -0.274 120.240 120.570 -0.093 0.000 2.252 787 I HA -0.217 3.953 4.170 -0.000 0.000 0.245 787 I C 1.794 177.863 176.117 -0.080 0.000 1.102 787 I CA 1.400 62.636 61.300 -0.108 0.000 1.385 787 I CB -0.339 37.597 38.000 -0.106 0.000 1.064 787 I HN 0.248 nan 8.210 nan 0.000 0.414 788 D N 0.902 121.282 120.400 -0.032 0.000 2.178 788 D HA -0.112 4.528 4.640 -0.000 0.000 0.201 788 D C 2.069 178.346 176.300 -0.037 0.000 0.980 788 D CA 1.404 55.427 54.000 0.038 0.000 0.842 788 D CB 0.063 40.964 40.800 0.169 0.000 0.948 788 D HN 0.362 nan 8.370 nan 0.000 0.472 789 A N -0.429 122.277 122.820 -0.191 0.000 2.218 789 A HA 0.388 4.708 4.320 -0.000 0.000 0.209 789 A C 1.605 179.044 177.584 -0.243 0.000 1.168 789 A CA 1.099 52.889 52.037 -0.411 0.000 0.804 789 A CB 0.159 18.824 19.000 -0.559 0.000 0.834 789 A HN 0.244 nan 8.150 nan 0.000 0.482 790 G N -1.364 107.336 108.800 -0.168 0.000 2.135 790 G HA2 -0.091 3.869 3.960 -0.000 0.000 0.183 790 G HA3 -0.091 3.869 3.960 -0.000 0.000 0.183 790 G C 0.167 174.980 174.900 -0.146 0.000 1.004 790 G CA -0.009 45.006 45.100 -0.141 0.000 0.677 790 G HN 0.957 nan 8.290 nan 0.000 0.512 791 V N 0.090 119.910 119.914 -0.158 0.000 2.763 791 V HA 0.315 4.435 4.120 -0.000 0.000 0.306 791 V C 1.433 177.410 176.094 -0.195 0.000 1.059 791 V CA 1.584 63.781 62.300 -0.172 0.000 1.138 791 V CB 0.882 32.593 31.823 -0.187 0.000 0.940 791 V HN 0.432 nan 8.190 nan 0.000 0.489 792 D N 4.204 124.477 120.400 -0.212 0.000 2.197 792 D HA 0.233 4.873 4.640 -0.000 0.000 0.212 792 D C -0.131 175.976 176.300 -0.322 0.000 0.963 792 D CA 0.957 54.811 54.000 -0.244 0.000 0.864 792 D CB 0.228 40.890 40.800 -0.231 0.000 1.009 792 D HN 0.520 nan 8.370 nan 0.000 0.479 793 I N 0.590 120.906 120.570 -0.422 0.000 2.619 793 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 793 I C -1.248 174.544 176.117 -0.541 0.000 1.100 793 I CA -1.226 59.725 61.300 -0.583 0.000 1.043 793 I CB 2.401 39.748 38.000 -1.088 0.000 1.239 793 I HN -0.162 nan 8.210 nan 0.000 0.420 794 I N 0.273 120.561 120.570 -0.471 0.000 2.740 794 I HA 0.612 4.782 4.170 -0.000 0.000 0.303 794 I C -0.982 174.995 176.117 -0.233 0.000 1.044 794 I CA -0.582 60.425 61.300 -0.488 0.000 1.064 794 I CB 1.364 38.770 38.000 -0.990 0.000 1.249 794 I HN 0.228 nan 8.210 nan 0.000 0.433 795 D N 3.385 123.779 120.400 -0.010 0.000 2.295 795 D HA 0.526 5.166 4.640 -0.000 0.000 0.248 795 D C -0.023 176.376 176.300 0.165 0.000 1.154 795 D CA 0.180 54.270 54.000 0.151 0.000 0.857 795 D CB 1.457 42.450 40.800 0.322 0.000 1.117 795 D HN 0.887 nan 8.370 nan 0.000 0.468 796 T N -1.244 113.363 114.554 0.087 0.000 2.864 796 T HA 0.902 5.252 4.350 -0.000 0.000 0.289 796 T C -0.678 174.025 174.700 0.005 0.000 1.082 796 T CA -1.030 61.125 62.100 0.091 0.000 1.009 796 T CB 1.899 70.842 68.868 0.125 0.000 1.234 796 T HN 0.283 nan 8.240 nan 0.000 0.526 797 A N 0.674 123.498 122.820 0.007 0.000 2.498 797 A HA 0.793 5.113 4.320 -0.000 0.000 0.298 797 A C 0.099 177.696 177.584 0.021 0.000 1.075 797 A CA -0.617 51.402 52.037 -0.031 0.000 0.714 797 A CB 1.331 20.288 19.000 -0.071 0.000 1.299 797 A HN 1.915 nan 8.150 nan 0.000 0.407 798 V N 0.339 120.269 119.914 0.027 0.000 2.763 798 V HA 0.448 4.567 4.120 -0.000 0.000 0.306 798 V C 1.505 177.627 176.094 0.047 0.000 1.059 798 V CA 0.440 62.785 62.300 0.076 0.000 1.138 798 V CB -0.150 31.755 31.823 0.136 0.000 0.940 798 V HN 2.042 nan 8.190 nan 0.000 0.489 799 A N 3.912 126.766 122.820 0.056 0.000 1.923 799 A HA -0.259 4.061 4.320 -0.000 0.000 0.222 799 A C 2.377 179.976 177.584 0.025 0.000 1.258 799 A CA 3.378 55.437 52.037 0.037 0.000 0.670 799 A CB -1.481 17.538 19.000 0.032 0.000 0.834 799 A HN 1.925 nan 8.150 nan 0.000 0.470 800 S N -2.193 113.531 115.700 0.039 0.000 2.555 800 S HA 0.116 4.585 4.470 -0.000 0.000 0.230 800 S C 1.053 175.681 174.600 0.046 0.000 0.978 800 S CA 1.123 59.349 58.200 0.044 0.000 0.934 800 S CB -0.063 63.178 63.200 0.068 0.000 0.766 800 S HN 0.381 nan 8.310 nan 0.000 0.533 801 M N 2.370 121.978 119.600 0.013 0.000 2.685 801 M HA 0.355 4.835 4.480 -0.000 0.000 0.355 801 M C 0.216 176.490 176.300 -0.042 0.000 1.197 801 M CA -0.090 55.187 55.300 -0.038 0.000 0.947 801 M CB -0.080 32.429 32.600 -0.152 0.000 1.346 801 M HN 0.497 nan 8.290 nan 0.000 0.516 802 S N -0.975 114.713 115.700 -0.020 0.000 2.715 802 S HA 0.948 5.418 4.470 -0.000 0.000 0.307 802 S C 0.364 174.951 174.600 -0.022 0.000 1.119 802 S CA 0.085 58.269 58.200 -0.026 0.000 0.937 802 S CB 2.359 65.551 63.200 -0.014 0.000 1.150 802 S HN 0.653 nan 8.310 nan 0.000 0.521 803 G N 0.013 108.792 108.800 -0.036 0.000 2.795 803 G HA2 0.032 3.992 3.960 -0.000 0.000 0.664 803 G HA3 0.032 3.992 3.960 -0.000 0.000 0.664 803 G C 0.001 174.889 174.900 -0.019 0.000 1.381 803 G CA -0.417 44.664 45.100 -0.032 0.000 0.853 803 G HN 1.791 nan 8.290 nan 0.000 0.545 804 L N -2.587 118.629 121.223 -0.012 0.000 6.519 804 L HA -0.372 3.968 4.340 -0.000 0.000 0.053 804 L C 2.736 179.612 176.870 0.011 0.000 1.992 804 L CA 3.232 58.074 54.840 0.003 0.000 1.661 804 L CB -1.817 40.247 42.059 0.007 0.000 2.744 804 L HN 1.903 nan 8.230 nan 0.000 1.041 805 T N -2.813 111.749 114.554 0.014 0.000 3.113 805 T HA 0.056 4.406 4.350 -0.000 0.000 0.263 805 T C 0.926 175.711 174.700 0.141 0.000 1.143 805 T CA 0.956 63.078 62.100 0.037 0.000 1.090 805 T CB 0.174 69.020 68.868 -0.037 0.000 0.922 805 T HN 0.468 nan 8.240 nan 0.000 0.521 806 S N 0.618 116.354 115.700 0.059 0.000 2.546 806 S HA 0.308 4.778 4.470 -0.000 0.000 0.265 806 S C 0.182 174.734 174.600 -0.081 0.000 1.190 806 S CA -0.831 57.381 58.200 0.020 0.000 1.014 806 S CB 0.427 63.613 63.200 -0.023 0.000 1.087 806 S HN 0.469 nan 8.310 nan 0.000 0.525 807 Q N 0.787 120.499 119.800 -0.147 0.000 2.260 807 Q HA 0.429 4.769 4.340 -0.000 0.000 0.238 807 Q C -2.504 173.399 176.000 -0.161 0.000 0.948 807 Q CA -2.380 53.289 55.803 -0.224 0.000 0.895 807 Q CB -0.797 27.837 28.738 -0.173 0.000 1.218 807 Q HN 0.385 nan 8.270 nan 0.000 0.470 808 P HA -0.082 nan 4.420 nan 0.000 0.266 808 P C -0.159 177.119 177.300 -0.038 0.000 1.193 808 P CA 0.284 63.279 63.100 -0.176 0.000 0.770 808 P CB 0.409 31.886 31.700 -0.371 0.000 0.836 809 S N 2.541 118.238 115.700 -0.005 0.000 2.516 809 S HA 0.222 4.692 4.470 -0.000 0.000 0.282 809 S C 1.492 176.146 174.600 0.088 0.000 1.286 809 S CA 0.051 58.276 58.200 0.040 0.000 1.066 809 S CB -0.198 63.029 63.200 0.044 0.000 0.884 809 S HN 0.446 nan 8.310 nan 0.000 0.491 810 A N 5.619 128.500 122.820 0.102 0.000 1.930 810 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 810 A C 2.066 179.731 177.584 0.135 0.000 1.175 810 A CA 1.510 53.627 52.037 0.133 0.000 0.627 810 A CB -0.778 18.312 19.000 0.150 0.000 0.815 810 A HN 0.972 nan 8.150 nan 0.000 0.443 811 N N 0.184 118.951 118.700 0.113 0.000 2.120 811 N HA -0.122 4.617 4.740 -0.000 0.000 0.188 811 N C 1.917 177.568 175.510 0.234 0.000 1.024 811 N CA 1.551 54.678 53.050 0.128 0.000 0.852 811 N CB -0.200 38.356 38.487 0.116 0.000 1.003 811 N HN 0.424 nan 8.380 nan 0.000 0.424 812 S N 1.476 117.291 115.700 0.192 0.000 2.355 812 S HA -0.067 4.403 4.470 -0.000 0.000 0.222 812 S C 2.013 176.740 174.600 0.210 0.000 1.031 812 S CA 0.529 58.851 58.200 0.203 0.000 0.993 812 S CB -0.317 62.954 63.200 0.119 0.000 0.859 812 S HN 0.182 nan 8.310 nan 0.000 0.453 813 L N 0.857 122.180 121.223 0.167 0.000 2.079 813 L HA -0.096 4.244 4.340 -0.000 0.000 0.210 813 L C 1.999 178.947 176.870 0.130 0.000 1.081 813 L CA 1.703 56.628 54.840 0.141 0.000 0.752 813 L CB -0.815 41.333 42.059 0.148 0.000 0.896 813 L HN 0.384 nan 8.230 nan 0.000 0.433 814 Y N -0.930 119.370 120.300 -0.000 0.000 2.114 814 Y HA -0.368 4.182 4.550 -0.000 0.000 0.282 814 Y C 2.154 177.951 175.900 -0.172 0.000 1.165 814 Y CA 2.333 60.355 58.100 -0.130 0.000 1.148 814 Y CB -0.492 37.816 38.460 -0.254 0.000 0.972 814 Y HN 0.291 nan 8.280 nan 0.000 0.504 815 Y N -0.801 119.623 120.300 0.207 0.000 2.395 815 Y HA -0.032 4.518 4.550 -0.000 0.000 0.293 815 Y C 2.535 178.475 175.900 0.068 0.000 1.123 815 Y CA 0.522 58.686 58.100 0.108 0.000 1.227 815 Y CB -0.532 38.016 38.460 0.147 0.000 1.012 815 Y HN 0.239 nan 8.280 nan 0.000 0.552 816 A N 0.156 123.108 122.820 0.219 0.000 1.940 816 A HA -0.160 4.160 4.320 -0.000 0.000 0.219 816 A C 1.947 179.666 177.584 0.226 0.000 1.176 816 A CA 1.398 53.543 52.037 0.181 0.000 0.631 816 A CB -0.908 18.158 19.000 0.109 0.000 0.814 816 A HN 0.506 nan 8.150 nan 0.000 0.446 817 L N -0.094 121.214 121.223 0.143 0.000 2.599 817 L HA 0.015 4.355 4.340 -0.000 0.000 0.230 817 L C 0.066 177.131 176.870 0.325 0.000 1.141 817 L CA -0.274 54.710 54.840 0.241 0.000 0.877 817 L CB -0.611 41.490 42.059 0.071 0.000 1.009 817 L HN 0.378 nan 8.230 nan 0.000 0.447 818 N N 0.917 119.687 118.700 0.117 0.000 2.411 818 N HA 0.109 4.849 4.740 -0.000 0.000 0.265 818 N C 1.127 176.610 175.510 -0.045 0.000 1.266 818 N CA 0.619 53.653 53.050 -0.027 0.000 0.889 818 N CB 0.503 38.988 38.487 -0.003 0.000 1.069 818 N HN 0.304 nan 8.380 nan 0.000 0.476 819 G N 1.916 110.683 108.800 -0.055 0.000 2.195 819 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.246 819 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.246 819 G C -0.139 174.594 174.900 -0.277 0.000 0.984 819 G CA -0.423 44.558 45.100 -0.197 0.000 0.633 819 G HN 0.487 nan 8.290 nan 0.000 0.525 820 F N 1.214 121.225 119.950 0.101 0.000 2.397 820 F HA 0.505 5.032 4.527 -0.000 0.000 0.331 820 F C -0.124 175.683 175.800 0.012 0.000 1.090 820 F CA -1.752 56.282 58.000 0.055 0.000 1.065 820 F CB 1.050 40.077 39.000 0.044 0.000 1.184 820 F HN -0.185 nan 8.300 nan 0.000 0.499 821 P HA -0.204 nan 4.420 nan 0.000 0.218 821 P C -0.132 177.065 177.300 -0.172 0.000 1.154 821 P CA 1.609 64.692 63.100 -0.028 0.000 0.872 821 P CB 0.166 31.870 31.700 0.007 0.000 0.790 822 R N -0.552 119.895 120.500 -0.088 0.000 2.514 822 R HA 0.397 4.737 4.340 -0.000 0.000 0.301 822 R C 0.154 176.438 176.300 -0.028 0.000 0.962 822 R CA -0.668 55.344 56.100 -0.145 0.000 0.882 822 R CB 1.035 31.286 30.300 -0.081 0.000 1.143 822 R HN 0.212 nan 8.270 nan 0.000 0.452 823 H N 1.042 120.075 119.070 -0.060 0.000 2.676 823 H HA 0.316 4.872 4.556 -0.000 0.000 0.352 823 H C -0.704 174.569 175.328 -0.093 0.000 1.193 823 H CA -1.184 54.802 56.048 -0.103 0.000 1.243 823 H CB 1.141 30.825 29.762 -0.129 0.000 1.751 823 H HN 0.196 nan 8.280 nan 0.000 0.567 824 L N 1.518 122.759 121.223 0.030 0.000 2.260 824 L HA 0.260 4.600 4.340 -0.000 0.000 0.289 824 L C 0.457 177.394 176.870 0.112 0.000 1.057 824 L CA -0.506 54.365 54.840 0.052 0.000 0.811 824 L CB 0.319 42.426 42.059 0.081 0.000 1.184 824 L HN 0.449 nan 8.230 nan 0.000 0.429 825 R N 3.428 123.980 120.500 0.087 0.000 2.605 825 R HA 0.373 4.713 4.340 -0.000 0.000 0.271 825 R C -0.480 175.895 176.300 0.126 0.000 1.418 825 R CA 0.617 56.777 56.100 0.099 0.000 1.102 825 R CB -0.415 29.929 30.300 0.074 0.000 1.131 825 R HN 0.832 nan 8.270 nan 0.000 0.554 826 T N 0.808 115.445 114.554 0.138 0.000 2.677 826 T HA 0.140 4.490 4.350 -0.000 0.000 0.305 826 T C -2.039 172.654 174.700 -0.011 0.000 1.569 826 T CA -0.858 61.289 62.100 0.078 0.000 0.984 826 T CB 1.069 70.003 68.868 0.109 0.000 1.629 826 T HN 0.434 nan 8.240 nan 0.000 0.494 827 D N 1.347 121.660 120.400 -0.145 0.000 2.460 827 D HA 0.386 5.026 4.640 -0.000 0.000 0.232 827 D C 1.575 177.673 176.300 -0.336 0.000 1.079 827 D CA -0.766 53.104 54.000 -0.217 0.000 0.864 827 D CB 0.327 41.011 40.800 -0.193 0.000 1.048 827 D HN 0.449 nan 8.370 nan 0.000 0.523 828 I N 2.653 122.907 120.570 -0.525 0.000 2.068 828 I HA -0.213 3.957 4.170 -0.000 0.000 0.238 828 I C 2.185 178.152 176.117 -0.250 0.000 1.046 828 I CA 1.308 62.273 61.300 -0.558 0.000 1.306 828 I CB -0.988 36.572 38.000 -0.733 0.000 1.023 828 I HN 0.486 nan 8.210 nan 0.000 0.399 829 E N 0.920 121.019 120.200 -0.169 0.000 2.187 829 E HA -0.236 4.114 4.350 -0.000 0.000 0.199 829 E C 2.307 178.861 176.600 -0.076 0.000 1.004 829 E CA 1.534 57.886 56.400 -0.080 0.000 0.813 829 E CB -0.454 29.211 29.700 -0.058 0.000 0.736 829 E HN 0.666 nan 8.360 nan 0.000 0.468 830 G N 0.173 108.895 108.800 -0.130 0.000 2.396 830 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.214 830 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.214 830 G C 1.474 176.291 174.900 -0.137 0.000 1.166 830 G CA 0.487 45.502 45.100 -0.142 0.000 0.793 830 G HN 0.113 nan 8.290 nan 0.000 0.533 831 M N 1.033 120.528 119.600 -0.175 0.000 2.082 831 M HA -0.065 4.415 4.480 -0.000 0.000 0.258 831 M C 2.430 178.739 176.300 0.015 0.000 1.069 831 M CA 1.131 56.370 55.300 -0.100 0.000 1.102 831 M CB -0.982 31.550 32.600 -0.113 0.000 1.336 831 M HN 0.244 nan 8.290 nan 0.000 0.404 832 E N -0.390 119.830 120.200 0.032 0.000 2.031 832 E HA -0.143 4.207 4.350 -0.000 0.000 0.193 832 E C 2.146 178.905 176.600 0.266 0.000 0.994 832 E CA 1.532 58.017 56.400 0.141 0.000 0.800 832 E CB -0.666 29.126 29.700 0.153 0.000 0.752 832 E HN 0.443 nan 8.360 nan 0.000 0.447 833 S N 0.676 116.469 115.700 0.155 0.000 2.370 833 S HA -0.112 4.358 4.470 -0.000 0.000 0.226 833 S C 2.126 176.831 174.600 0.175 0.000 1.033 833 S CA 0.786 59.070 58.200 0.139 0.000 1.011 833 S CB -0.194 63.025 63.200 0.032 0.000 0.852 833 S HN 0.164 nan 8.310 nan 0.000 0.457 834 L N 0.696 121.999 121.223 0.134 0.000 2.046 834 L HA -0.069 4.271 4.340 -0.000 0.000 0.208 834 L C 2.880 179.970 176.870 0.367 0.000 1.077 834 L CA 1.475 56.447 54.840 0.221 0.000 0.747 834 L CB -0.875 41.299 42.059 0.192 0.000 0.896 834 L HN 0.399 nan 8.230 nan 0.000 0.432 835 S N -0.993 114.860 115.700 0.255 0.000 2.353 835 S HA -0.241 4.229 4.470 -0.000 0.000 0.222 835 S C 2.007 176.699 174.600 0.153 0.000 1.035 835 S CA 1.231 59.544 58.200 0.190 0.000 1.025 835 S CB -0.316 62.905 63.200 0.036 0.000 0.902 835 S HN 0.437 nan 8.310 nan 0.000 0.440 836 H N -1.097 118.060 119.070 0.145 0.000 2.353 836 H HA -0.144 4.412 4.556 -0.000 0.000 0.298 836 H C 2.023 177.406 175.328 0.091 0.000 1.103 836 H CA 1.969 58.077 56.048 0.100 0.000 1.293 836 H CB -0.718 29.087 29.762 0.071 0.000 1.372 836 H HN 0.658 nan 8.280 nan 0.000 0.501 837 Y N 0.391 120.748 120.300 0.094 0.000 2.070 837 Y HA -0.295 4.255 4.550 -0.000 0.000 0.280 837 Y C 2.268 178.081 175.900 -0.144 0.000 1.148 837 Y CA 1.806 59.851 58.100 -0.092 0.000 1.125 837 Y CB -0.844 37.483 38.460 -0.223 0.000 0.975 837 Y HN 0.070 nan 8.280 nan 0.000 0.492 838 W N -0.130 121.247 121.300 0.128 0.000 2.374 838 W HA -0.175 4.485 4.660 -0.000 0.000 0.288 838 W C 3.064 179.530 176.519 -0.089 0.000 1.218 838 W CA 1.517 58.861 57.345 -0.002 0.000 1.245 838 W CB -0.858 28.682 29.460 0.133 0.000 1.126 838 W HN 0.078 nan 8.180 nan 0.000 0.545 839 S N -0.174 115.609 115.700 0.139 0.000 2.372 839 S HA -0.243 4.227 4.470 -0.000 0.000 0.227 839 S C 1.782 176.362 174.600 -0.032 0.000 1.044 839 S CA 2.326 60.554 58.200 0.048 0.000 1.050 839 S CB -0.636 62.575 63.200 0.018 0.000 0.901 839 S HN 0.252 nan 8.310 nan 0.000 0.447 840 T N 1.106 115.584 114.554 -0.126 0.000 2.812 840 T HA 0.018 4.367 4.350 -0.000 0.000 0.264 840 T C 1.850 176.238 174.700 -0.519 0.000 1.042 840 T CA 1.254 63.218 62.100 -0.226 0.000 1.140 840 T CB -0.373 68.371 68.868 -0.207 0.000 0.870 840 T HN 0.257 nan 8.240 nan 0.000 0.445 841 V N 1.660 121.179 119.914 -0.659 0.000 2.490 841 V HA -0.148 3.972 4.120 -0.000 0.000 0.250 841 V C 2.587 178.506 176.094 -0.291 0.000 1.061 841 V CA 1.615 63.395 62.300 -0.868 0.000 1.064 841 V CB -0.628 30.791 31.823 -0.673 0.000 0.670 841 V HN 0.357 nan 8.190 nan 0.000 0.461 842 R N 0.045 120.546 120.500 0.000 0.000 2.096 842 R HA -0.168 4.172 4.340 -0.000 0.000 0.235 842 R C 2.271 178.700 176.300 0.214 0.000 1.127 842 R CA 1.985 58.209 56.100 0.207 0.000 0.968 842 R CB -0.485 29.906 30.300 0.152 0.000 0.861 842 R HN 0.505 nan 8.270 nan 0.000 0.440 843 T N 0.275 114.858 114.554 0.049 0.000 2.778 843 T HA -0.186 4.164 4.350 -0.000 0.000 0.269 843 T C 1.226 176.057 174.700 0.218 0.000 1.050 843 T CA 1.549 63.704 62.100 0.092 0.000 1.137 843 T CB -0.370 68.524 68.868 0.044 0.000 0.860 843 T HN 0.453 nan 8.240 nan 0.000 0.468 844 Y N -0.792 119.593 120.300 0.142 0.000 2.569 844 Y HA -0.110 4.440 4.550 -0.000 0.000 0.293 844 Y C 1.188 177.046 175.900 -0.070 0.000 1.144 844 Y CA 0.230 58.351 58.100 0.035 0.000 1.321 844 Y CB -0.301 38.096 38.460 -0.107 0.000 0.982 844 Y HN 0.328 nan 8.280 nan 0.000 0.558 845 Y N -1.408 119.109 120.300 0.362 0.000 2.612 845 Y HA 0.050 4.600 4.550 -0.000 0.000 0.250 845 Y C 2.081 178.101 175.900 0.199 0.000 1.175 845 Y CA -0.171 58.138 58.100 0.349 0.000 1.205 845 Y CB 0.035 38.713 38.460 0.364 0.000 1.201 845 Y HN 0.055 nan 8.280 nan 0.000 0.532 846 S N -0.610 115.210 115.700 0.199 0.000 2.392 846 S HA -0.270 4.200 4.470 -0.000 0.000 0.232 846 S C 1.501 176.081 174.600 -0.035 0.000 1.041 846 S CA 1.820 60.070 58.200 0.082 0.000 1.026 846 S CB -0.314 62.908 63.200 0.038 0.000 0.845 846 S HN 0.453 nan 8.310 nan 0.000 0.465 847 D N 0.660 120.944 120.400 -0.194 0.000 2.311 847 D HA -0.057 4.583 4.640 -0.000 0.000 0.212 847 D C 0.503 176.415 176.300 -0.646 0.000 0.972 847 D CA 1.021 54.723 54.000 -0.496 0.000 0.887 847 D CB -0.166 40.149 40.800 -0.808 0.000 0.915 847 D HN 0.599 nan 8.370 nan 0.000 0.497 848 F N 0.334 120.285 119.950 0.001 0.000 2.688 848 F HA 0.164 4.691 4.527 -0.000 0.000 0.310 848 F C 1.265 177.074 175.800 0.014 0.000 1.098 848 F CA -0.505 57.501 58.000 0.010 0.000 1.228 848 F CB 0.546 39.581 39.000 0.058 0.000 1.042 848 F HN -0.353 nan 8.300 nan 0.000 0.557 853 D N 0.788 121.154 120.400 -0.056 0.000 2.339 853 D HA 0.323 4.963 4.640 -0.000 0.000 0.217 853 D C 0.272 176.554 176.300 -0.031 0.000 1.050 853 D CA 0.095 54.069 54.000 -0.044 0.000 0.856 853 D CB -0.100 40.668 40.800 -0.053 0.000 0.922 853 D HN 0.521 nan 8.370 nan 0.000 0.518 854 I N 1.092 121.634 120.570 -0.047 0.000 2.581 854 I HA -0.010 4.160 4.170 -0.000 0.000 0.285 854 I C 1.225 177.348 176.117 0.011 0.000 1.129 854 I CA 0.678 61.973 61.300 -0.008 0.000 1.397 854 I CB 0.883 38.855 38.000 -0.046 0.000 1.399 854 I HN -0.159 nan 8.210 nan 0.000 0.537 855 K N 2.628 123.046 120.400 0.029 0.000 2.380 855 K HA 0.298 4.618 4.320 -0.000 0.000 0.198 855 K C 0.078 176.694 176.600 0.027 0.000 1.070 855 K CA 0.064 56.364 56.287 0.021 0.000 1.040 855 K CB 0.571 33.081 32.500 0.017 0.000 0.903 855 K HN 0.486 nan 8.250 nan 0.000 0.549 856 S N 1.167 116.893 115.700 0.043 0.000 2.595 856 S HA 0.437 4.906 4.470 -0.000 0.000 0.281 856 S C -2.783 171.845 174.600 0.048 0.000 1.117 856 S CA -1.402 56.821 58.200 0.039 0.000 0.873 856 S CB 1.793 65.015 63.200 0.036 0.000 1.108 856 S HN -0.069 nan 8.310 nan 0.000 0.477 857 P HA 0.117 nan 4.420 nan 0.000 0.269 857 P C -1.080 176.226 177.300 0.009 0.000 1.209 857 P CA -0.144 62.966 63.100 0.018 0.000 0.776 857 P CB 0.270 31.974 31.700 0.007 0.000 0.876 858 N N 0.717 119.405 118.700 -0.019 0.000 2.352 858 N HA 0.200 4.940 4.740 -0.000 0.000 0.291 858 N C 0.194 175.602 175.510 -0.170 0.000 1.040 858 N CA -0.405 52.591 53.050 -0.089 0.000 0.864 858 N CB 1.450 39.844 38.487 -0.154 0.000 1.440 858 N HN 0.287 nan 8.380 nan 0.000 0.483 859 T N -0.483 113.986 114.554 -0.142 0.000 3.054 859 T HA 0.136 4.486 4.350 -0.000 0.000 0.255 859 T C 0.944 175.538 174.700 -0.177 0.000 1.035 859 T CA -0.144 61.869 62.100 -0.145 0.000 0.941 859 T CB 0.242 69.162 68.868 0.085 0.000 1.026 859 T HN 0.453 nan 8.240 nan 0.000 0.533 860 E N 2.311 122.364 120.200 -0.244 0.000 2.160 860 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 860 E C 2.214 178.390 176.600 -0.707 0.000 0.991 860 E CA 1.381 57.593 56.400 -0.313 0.000 0.810 860 E CB -0.607 28.988 29.700 -0.176 0.000 0.742 860 E HN 0.818 nan 8.360 nan 0.000 0.466 861 I N -1.505 118.591 120.570 -0.790 0.000 2.229 861 I HA -0.341 3.829 4.170 -0.000 0.000 0.250 861 I C 2.176 177.986 176.117 -0.513 0.000 1.096 861 I CA 1.711 62.535 61.300 -0.793 0.000 1.358 861 I CB -0.984 36.724 38.000 -0.486 0.000 1.047 861 I HN -0.034 nan 8.210 nan 0.000 0.422 862 Y N 1.551 121.707 120.300 -0.239 0.000 2.497 862 Y HA -0.121 4.428 4.550 -0.000 0.000 0.292 862 Y C 2.621 178.455 175.900 -0.111 0.000 1.137 862 Y CA 0.493 58.518 58.100 -0.124 0.000 1.285 862 Y CB -0.205 38.212 38.460 -0.072 0.000 0.991 862 Y HN 0.406 nan 8.280 nan 0.000 0.556 863 Q N -0.471 119.296 119.800 -0.055 0.000 2.263 863 Q HA -0.074 4.266 4.340 -0.000 0.000 0.196 863 Q C 1.846 177.851 176.000 0.007 0.000 0.965 863 Q CA 1.433 57.232 55.803 -0.006 0.000 0.851 863 Q CB -0.838 27.902 28.738 0.003 0.000 0.948 863 Q HN 0.717 nan 8.270 nan 0.000 0.516 864 H N 0.571 119.644 119.070 0.005 0.000 2.497 864 H HA 0.234 4.790 4.556 -0.000 0.000 0.282 864 H C -0.247 175.105 175.328 0.040 0.000 1.003 864 H CA 0.723 56.778 56.048 0.011 0.000 1.307 864 H CB 0.237 29.941 29.762 -0.098 0.000 1.437 864 H HN 0.247 nan 8.280 nan 0.000 0.544 865 E N 0.393 120.626 120.200 0.055 0.000 2.868 865 E HA -0.169 4.181 4.350 -0.000 0.000 0.278 865 E C -0.615 176.091 176.600 0.177 0.000 1.009 865 E CA 0.396 56.849 56.400 0.089 0.000 0.856 865 E CB -1.666 28.072 29.700 0.063 0.000 1.428 865 E HN 0.568 nan 8.360 nan 0.000 0.423 866 M N 2.150 121.912 119.600 0.271 0.000 2.251 866 M HA 0.150 4.630 4.480 -0.000 0.000 0.346 866 M C -1.964 174.378 176.300 0.070 0.000 1.499 866 M CA -1.231 54.097 55.300 0.047 0.000 1.128 866 M CB 0.059 32.548 32.600 -0.185 0.000 1.809 866 M HN -0.162 nan 8.290 nan 0.000 0.464 867 P HA 0.110 nan 4.420 nan 0.000 0.271 867 P C 0.636 177.880 177.300 -0.092 0.000 1.216 867 P CA 0.414 63.497 63.100 -0.028 0.000 0.776 867 P CB 0.673 32.366 31.700 -0.012 0.000 0.881 868 G N 3.618 112.297 108.800 -0.203 0.000 2.684 868 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.332 868 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.332 868 G C 0.904 175.697 174.900 -0.178 0.000 1.306 868 G CA 0.389 45.331 45.100 -0.263 0.000 1.002 868 G HN 0.767 nan 8.290 nan 0.000 0.545 869 G N -0.338 108.343 108.800 -0.199 0.000 3.379 869 G HA2 0.365 4.325 3.960 -0.000 0.000 0.253 869 G HA3 0.365 4.325 3.960 -0.000 0.000 0.253 869 G C 1.126 175.869 174.900 -0.262 0.000 1.262 869 G CA 1.092 46.023 45.100 -0.281 0.000 0.959 869 G HN 0.650 nan 8.290 nan 0.000 0.524 870 Q N 0.008 119.708 119.800 -0.167 0.000 2.230 870 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 870 Q C 1.894 177.841 176.000 -0.088 0.000 0.963 870 Q CA 0.915 56.660 55.803 -0.097 0.000 0.866 870 Q CB -0.011 28.700 28.738 -0.044 0.000 0.931 870 Q HN 0.841 nan 8.270 nan 0.000 0.452 871 Y N -1.672 118.573 120.300 -0.091 0.000 2.616 871 Y HA 0.122 4.672 4.550 -0.000 0.000 0.296 871 Y C 1.985 177.860 175.900 -0.042 0.000 1.154 871 Y CA 0.868 58.930 58.100 -0.063 0.000 1.325 871 Y CB -0.418 37.993 38.460 -0.081 0.000 1.007 871 Y HN -0.094 nan 8.280 nan 0.000 0.542 872 S N 0.350 115.836 115.700 -0.358 0.000 2.371 872 S HA -0.105 4.364 4.470 -0.000 0.000 0.219 872 S C 1.772 176.281 174.600 -0.151 0.000 1.040 872 S CA 0.899 58.934 58.200 -0.275 0.000 0.958 872 S CB -0.316 62.683 63.200 -0.334 0.000 0.860 872 S HN 0.602 nan 8.310 nan 0.000 0.487 873 N N 1.755 120.389 118.700 -0.111 0.000 2.036 873 N HA -0.101 4.639 4.740 -0.000 0.000 0.195 873 N C 1.607 177.112 175.510 -0.009 0.000 1.037 873 N CA 1.121 54.143 53.050 -0.047 0.000 0.855 873 N CB -0.821 37.654 38.487 -0.020 0.000 1.033 873 N HN 0.253 nan 8.380 nan 0.000 0.423 874 L N 1.136 122.380 121.223 0.036 0.000 2.131 874 L HA -0.052 4.288 4.340 -0.000 0.000 0.210 874 L C 2.525 179.466 176.870 0.119 0.000 1.092 874 L CA 1.185 56.105 54.840 0.133 0.000 0.759 874 L CB -0.931 41.249 42.059 0.201 0.000 0.903 874 L HN 0.108 nan 8.230 nan 0.000 0.435 875 S N -1.374 114.245 115.700 -0.136 0.000 2.368 875 S HA -0.218 4.252 4.470 -0.000 0.000 0.224 875 S C 1.952 176.386 174.600 -0.277 0.000 1.029 875 S CA 1.276 59.119 58.200 -0.594 0.000 0.988 875 S CB 0.011 62.765 63.200 -0.744 0.000 0.838 875 S HN 0.530 nan 8.310 nan 0.000 0.462 876 Q N 0.322 120.032 119.800 -0.150 0.000 2.079 876 Q HA -0.076 4.264 4.340 -0.000 0.000 0.200 876 Q C 2.345 178.326 176.000 -0.033 0.000 0.974 876 Q CA 1.494 57.247 55.803 -0.084 0.000 0.840 876 Q CB -0.154 28.547 28.738 -0.062 0.000 0.898 876 Q HN 0.593 nan 8.270 nan 0.000 0.430 877 Q N -0.473 119.328 119.800 0.001 0.000 2.123 877 Q HA -0.088 4.252 4.340 -0.000 0.000 0.199 877 Q C 1.893 177.928 176.000 0.059 0.000 0.966 877 Q CA 1.093 56.921 55.803 0.041 0.000 0.845 877 Q CB -0.028 28.751 28.738 0.069 0.000 0.907 877 Q HN 0.404 nan 8.270 nan 0.000 0.439 878 A N 0.635 123.501 122.820 0.076 0.000 1.968 878 A HA -0.154 4.166 4.320 -0.000 0.000 0.217 878 A C 1.842 179.461 177.584 0.059 0.000 1.169 878 A CA 1.210 53.315 52.037 0.113 0.000 0.638 878 A CB -0.195 18.955 19.000 0.249 0.000 0.812 878 A HN 0.217 nan 8.150 nan 0.000 0.446 879 K N -0.494 119.909 120.400 0.005 0.000 2.057 879 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 879 K C 2.293 178.897 176.600 0.008 0.000 1.049 879 K CA 1.345 57.627 56.287 -0.008 0.000 0.931 879 K CB -0.223 32.251 32.500 -0.042 0.000 0.714 879 K HN 0.373 nan 8.250 nan 0.000 0.440 880 S N 0.592 116.299 115.700 0.013 0.000 2.440 880 S HA -0.030 4.440 4.470 -0.000 0.000 0.238 880 S C 1.201 175.819 174.600 0.030 0.000 1.010 880 S CA 0.896 59.108 58.200 0.020 0.000 0.972 880 S CB 0.040 63.255 63.200 0.025 0.000 0.774 880 S HN 0.178 nan 8.310 nan 0.000 0.501 881 L N 0.332 121.579 121.223 0.040 0.000 2.872 881 L HA 0.348 4.688 4.340 -0.000 0.000 0.245 881 L C 1.286 178.179 176.870 0.039 0.000 1.211 881 L CA 0.121 54.988 54.840 0.044 0.000 1.013 881 L CB 0.080 42.175 42.059 0.060 0.000 1.326 881 L HN 0.333 nan 8.230 nan 0.000 0.525 882 G N 0.855 109.674 108.800 0.031 0.000 2.203 882 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.263 882 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.263 882 G C 0.413 175.335 174.900 0.035 0.000 1.012 882 G CA 0.404 45.520 45.100 0.027 0.000 0.749 882 G HN 0.403 nan 8.290 nan 0.000 0.512 883 L N 0.303 121.557 121.223 0.052 0.000 3.017 883 L HA 0.371 4.711 4.340 -0.000 0.000 0.255 883 L C 2.362 179.291 176.870 0.098 0.000 1.247 883 L CA 0.270 55.155 54.840 0.074 0.000 1.038 883 L CB 0.201 42.316 42.059 0.094 0.000 1.380 883 L HN 0.220 nan 8.230 nan 0.000 0.548 884 G N 0.016 108.851 108.800 0.058 0.000 2.418 884 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.217 884 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.217 884 G C 1.343 176.282 174.900 0.064 0.000 1.158 884 G CA 0.545 45.667 45.100 0.037 0.000 0.771 884 G HN 0.323 nan 8.290 nan 0.000 0.545 885 E N -0.221 120.014 120.200 0.058 0.000 2.274 885 E HA 0.098 4.448 4.350 -0.000 0.000 0.194 885 E C 2.046 178.694 176.600 0.080 0.000 0.996 885 E CA 0.278 56.713 56.400 0.059 0.000 0.840 885 E CB 0.104 29.826 29.700 0.037 0.000 0.772 885 E HN 0.295 nan 8.360 nan 0.000 0.491 886 R N -0.638 119.919 120.500 0.096 0.000 2.694 886 R HA 0.138 4.478 4.340 -0.000 0.000 0.334 886 R C 0.549 176.919 176.300 0.116 0.000 1.143 886 R CA -0.270 55.879 56.100 0.082 0.000 1.073 886 R CB 0.031 30.361 30.300 0.050 0.000 1.366 886 R HN 0.123 nan 8.270 nan 0.000 0.577 887 F N 2.448 122.399 119.950 0.001 0.000 2.259 887 F HA -0.134 4.393 4.527 -0.000 0.000 0.298 887 F C 1.977 177.772 175.800 -0.007 0.000 1.088 887 F CA 1.403 59.402 58.000 -0.003 0.000 1.358 887 F CB 0.224 39.221 39.000 -0.005 0.000 1.040 887 F HN 0.150 nan 8.300 nan 0.000 0.505 888 D N -0.370 120.031 120.400 0.002 0.000 2.403 888 D HA -0.193 4.447 4.640 -0.000 0.000 0.227 888 D C 1.248 177.483 176.300 -0.108 0.000 0.995 888 D CA 0.985 54.942 54.000 -0.072 0.000 0.928 888 D CB -0.499 40.305 40.800 0.007 0.000 0.887 888 D HN 0.495 nan 8.370 nan 0.000 0.529 889 E N -0.179 119.955 120.200 -0.109 0.000 2.389 889 E HA 0.029 4.379 4.350 -0.000 0.000 0.199 889 E C 2.175 178.696 176.600 -0.132 0.000 0.978 889 E CA -0.038 56.309 56.400 -0.087 0.000 0.912 889 E CB 0.740 30.418 29.700 -0.038 0.000 0.907 889 E HN 0.104 nan 8.360 nan 0.000 0.494 890 V N 1.845 121.611 119.914 -0.246 0.000 2.379 890 V HA -0.201 3.919 4.120 -0.000 0.000 0.245 890 V C 2.052 177.939 176.094 -0.346 0.000 1.044 890 V CA 1.484 63.616 62.300 -0.280 0.000 1.036 890 V CB -0.373 31.253 31.823 -0.327 0.000 0.664 890 V HN 0.143 nan 8.190 nan 0.000 0.453 891 K N 0.335 120.396 120.400 -0.565 0.000 2.103 891 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 891 K C 1.961 178.503 176.600 -0.097 0.000 1.048 891 K CA 2.017 58.074 56.287 -0.383 0.000 0.930 891 K CB -0.324 31.968 32.500 -0.347 0.000 0.716 891 K HN 0.534 nan 8.250 nan 0.000 0.444 892 D N 0.806 121.157 120.400 -0.082 0.000 2.097 892 D HA -0.169 4.471 4.640 -0.000 0.000 0.197 892 D C 1.953 178.266 176.300 0.022 0.000 0.984 892 D CA 1.094 55.090 54.000 -0.007 0.000 0.826 892 D CB 0.038 40.826 40.800 -0.020 0.000 0.973 892 D HN -0.057 nan 8.370 nan 0.000 0.460 893 M N -0.792 118.806 119.600 -0.002 0.000 2.117 893 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 893 M C 1.877 178.186 176.300 0.016 0.000 1.065 893 M CA 1.351 56.653 55.300 0.004 0.000 1.114 893 M CB -0.864 31.731 32.600 -0.007 0.000 1.361 893 M HN 0.244 nan 8.290 nan 0.000 0.408 894 Y N 0.223 120.469 120.300 -0.090 0.000 2.081 894 Y HA -0.345 4.205 4.550 -0.000 0.000 0.280 894 Y C 2.608 178.462 175.900 -0.077 0.000 1.163 894 Y CA 2.589 60.634 58.100 -0.091 0.000 1.135 894 Y CB -0.328 38.064 38.460 -0.113 0.000 0.970 894 Y HN 0.250 nan 8.280 nan 0.000 0.498 895 R N 0.118 120.739 120.500 0.202 0.000 2.105 895 R HA -0.171 4.169 4.340 -0.000 0.000 0.239 895 R C 2.353 178.716 176.300 0.107 0.000 1.135 895 R CA 1.667 57.856 56.100 0.147 0.000 0.967 895 R CB -0.128 30.287 30.300 0.191 0.000 0.861 895 R HN 0.374 nan 8.270 nan 0.000 0.442 896 R N -0.493 120.062 120.500 0.091 0.000 2.073 896 R HA -0.032 4.308 4.340 -0.000 0.000 0.229 896 R C 2.283 178.569 176.300 -0.023 0.000 1.120 896 R CA 1.174 57.339 56.100 0.109 0.000 0.967 896 R CB -0.237 30.095 30.300 0.054 0.000 0.862 896 R HN 0.091 nan 8.270 nan 0.000 0.436 897 V N 2.404 122.202 119.914 -0.193 0.000 2.332 897 V HA -0.303 3.817 4.120 -0.000 0.000 0.248 897 V C 2.303 178.028 176.094 -0.614 0.000 1.055 897 V CA 1.859 63.880 62.300 -0.465 0.000 1.038 897 V CB -0.787 30.714 31.823 -0.536 0.000 0.651 897 V HN 0.488 nan 8.190 nan 0.000 0.450 898 N N -0.101 118.318 118.700 -0.468 0.000 2.094 898 N HA -0.225 4.515 4.740 -0.000 0.000 0.191 898 N C 1.885 177.213 175.510 -0.303 0.000 1.023 898 N CA 1.884 54.684 53.050 -0.417 0.000 0.857 898 N CB -0.199 38.011 38.487 -0.461 0.000 1.013 898 N HN 0.516 nan 8.380 nan 0.000 0.426 899 F N 0.359 120.255 119.950 -0.090 0.000 2.367 899 F HA -0.019 4.508 4.527 -0.000 0.000 0.298 899 F C 2.131 177.930 175.800 -0.002 0.000 1.094 899 F CA -0.058 57.928 58.000 -0.024 0.000 1.409 899 F CB -0.057 38.931 39.000 -0.020 0.000 1.064 899 F HN 0.069 nan 8.300 nan 0.000 0.528 900 L N -0.801 120.476 121.223 0.090 0.000 2.141 900 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 900 L C 1.351 178.423 176.870 0.336 0.000 1.094 900 L CA 1.692 56.596 54.840 0.106 0.000 0.763 900 L CB -0.771 41.261 42.059 -0.045 0.000 0.908 900 L HN -0.017 nan 8.230 nan 0.000 0.437 901 F N 0.250 120.293 119.950 0.154 0.000 2.732 901 F HA 0.426 4.953 4.527 -0.000 0.000 0.303 901 F C 1.802 177.663 175.800 0.101 0.000 1.110 901 F CA -0.266 57.846 58.000 0.188 0.000 1.355 901 F CB -1.097 37.991 39.000 0.147 0.000 1.081 901 F HN 0.169 nan 8.300 nan 0.000 0.565 902 G N 1.004 109.953 108.800 0.249 0.000 2.171 902 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.238 902 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.238 902 G C -0.169 174.781 174.900 0.084 0.000 1.039 902 G CA -0.017 45.170 45.100 0.144 0.000 0.759 902 G HN 0.389 nan 8.290 nan 0.000 0.501 903 D N -1.130 119.298 120.400 0.046 0.000 4.044 903 D HA -0.144 4.496 4.640 -0.000 0.000 0.242 903 D C 0.531 176.911 176.300 0.133 0.000 1.076 903 D CA 1.740 55.728 54.000 -0.019 0.000 1.171 903 D CB -1.095 39.738 40.800 0.054 0.000 0.866 903 D HN 1.698 nan 8.370 nan 0.000 0.413 904 I N -1.727 118.864 120.570 0.036 0.000 2.797 904 I HA 0.708 4.878 4.170 -0.000 0.000 0.307 904 I C 0.201 176.273 176.117 -0.075 0.000 1.033 904 I CA -1.305 60.028 61.300 0.055 0.000 1.071 904 I CB 1.778 39.797 38.000 0.032 0.000 1.255 904 I HN -0.061 nan 8.210 nan 0.000 0.445 905 V N 3.416 123.289 119.914 -0.067 0.000 2.585 905 V HA 0.103 4.223 4.120 -0.000 0.000 0.296 905 V C 0.235 176.305 176.094 -0.039 0.000 1.035 905 V CA -0.013 62.222 62.300 -0.107 0.000 1.084 905 V CB 0.349 32.164 31.823 -0.013 0.000 0.953 905 V HN 0.654 nan 8.190 nan 0.000 0.483 906 K N 4.709 125.090 120.400 -0.031 0.000 2.419 906 K HA 0.596 4.916 4.320 -0.000 0.000 0.244 906 K C -0.808 175.826 176.600 0.056 0.000 1.045 906 K CA -0.273 56.024 56.287 0.017 0.000 1.004 906 K CB 1.329 33.860 32.500 0.052 0.000 1.376 906 K HN 0.536 nan 8.250 nan 0.000 0.460 907 V N -0.565 119.398 119.914 0.082 0.000 3.145 907 V HA 0.395 4.515 4.120 -0.000 0.000 0.311 907 V C 0.239 176.407 176.094 0.124 0.000 1.238 907 V CA -1.306 61.060 62.300 0.110 0.000 1.066 907 V CB 1.676 33.610 31.823 0.184 0.000 1.144 907 V HN 0.635 nan 8.190 nan 0.000 0.465 908 T N 1.465 116.109 114.554 0.150 0.000 2.888 908 T HA 0.266 4.616 4.350 -0.000 0.000 0.301 908 T C -2.077 172.725 174.700 0.170 0.000 1.001 908 T CA -0.654 61.537 62.100 0.151 0.000 1.147 908 T CB 0.670 69.632 68.868 0.157 0.000 0.931 908 T HN 0.685 nan 8.240 nan 0.000 0.541 909 P HA 0.170 nan 4.420 nan 0.000 0.269 909 P C 1.207 178.528 177.300 0.035 0.000 1.478 909 P CA -0.312 62.838 63.100 0.082 0.000 1.045 909 P CB 0.030 31.777 31.700 0.079 0.000 1.512 910 S N -0.439 115.271 115.700 0.017 0.000 2.469 910 S HA -0.134 4.336 4.470 -0.000 0.000 0.238 910 S C 1.800 176.350 174.600 -0.084 0.000 0.998 910 S CA 1.413 59.559 58.200 -0.090 0.000 0.957 910 S CB -1.301 61.857 63.200 -0.070 0.000 0.764 910 S HN 0.279 nan 8.310 nan 0.000 0.514 911 S N 2.035 117.745 115.700 0.016 0.000 2.377 911 S HA 0.075 4.545 4.470 -0.000 0.000 0.223 911 S C 1.788 176.450 174.600 0.103 0.000 1.030 911 S CA 0.616 58.866 58.200 0.083 0.000 0.970 911 S CB -0.483 62.790 63.200 0.122 0.000 0.830 911 S HN 0.523 nan 8.310 nan 0.000 0.473 912 K N 1.218 121.664 120.400 0.078 0.000 2.103 912 K HA -0.071 4.249 4.320 -0.000 0.000 0.207 912 K C 1.968 178.609 176.600 0.068 0.000 1.048 912 K CA 1.493 57.833 56.287 0.087 0.000 0.930 912 K CB -0.465 32.083 32.500 0.079 0.000 0.716 912 K HN 0.316 nan 8.250 nan 0.000 0.444 913 V N 0.741 120.657 119.914 0.003 0.000 2.332 913 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 913 V C 2.328 178.463 176.094 0.068 0.000 1.055 913 V CA 1.631 63.918 62.300 -0.021 0.000 1.038 913 V CB -0.366 31.291 31.823 -0.277 0.000 0.651 913 V HN 0.129 nan 8.190 nan 0.000 0.450 914 V N 1.006 120.904 119.914 -0.028 0.000 2.323 914 V HA -0.098 4.022 4.120 -0.000 0.000 0.244 914 V C 2.694 178.725 176.094 -0.105 0.000 1.041 914 V CA 2.010 64.195 62.300 -0.192 0.000 1.025 914 V CB -1.510 29.924 31.823 -0.649 0.000 0.656 914 V HN 0.577 nan 8.190 nan 0.000 0.451 915 G N 0.015 108.889 108.800 0.123 0.000 2.446 915 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 915 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 915 G C 1.214 176.228 174.900 0.191 0.000 1.168 915 G CA 1.203 46.472 45.100 0.283 0.000 0.771 915 G HN 0.496 nan 8.290 nan 0.000 0.551 916 D N 0.206 120.700 120.400 0.157 0.000 2.104 916 D HA -0.078 4.561 4.640 -0.000 0.000 0.194 916 D C 2.548 178.971 176.300 0.204 0.000 0.994 916 D CA 0.682 54.777 54.000 0.159 0.000 0.830 916 D CB -0.235 40.642 40.800 0.128 0.000 0.959 916 D HN 0.098 nan 8.370 nan 0.000 0.452 917 M N 0.398 120.126 119.600 0.212 0.000 2.159 917 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 917 M C 2.191 178.620 176.300 0.215 0.000 1.063 917 M CA 0.810 56.277 55.300 0.280 0.000 1.110 917 M CB -0.850 31.912 32.600 0.270 0.000 1.374 917 M HN -0.010 nan 8.290 nan 0.000 0.411 918 A N 0.010 122.903 122.820 0.121 0.000 1.902 918 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 918 A C 2.027 179.682 177.584 0.118 0.000 1.181 918 A CA 1.300 53.396 52.037 0.099 0.000 0.623 918 A CB -0.695 18.399 19.000 0.157 0.000 0.818 918 A HN 0.380 nan 8.150 nan 0.000 0.443 919 L N -1.884 119.434 121.223 0.158 0.000 2.093 919 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 919 L C 2.357 179.319 176.870 0.153 0.000 1.085 919 L CA 1.733 56.661 54.840 0.147 0.000 0.755 919 L CB -1.284 40.871 42.059 0.159 0.000 0.904 919 L HN 0.619 nan 8.230 nan 0.000 0.435 920 Y N -0.397 119.943 120.300 0.067 0.000 2.163 920 Y HA -0.205 4.345 4.550 -0.000 0.000 0.288 920 Y C 2.492 178.412 175.900 0.033 0.000 1.136 920 Y CA 1.597 59.730 58.100 0.054 0.000 1.147 920 Y CB -0.173 38.337 38.460 0.084 0.000 0.987 920 Y HN 0.088 nan 8.280 nan 0.000 0.509 921 M N -1.277 118.277 119.600 -0.077 0.000 2.254 921 M HA -0.150 4.330 4.480 -0.000 0.000 0.265 921 M C 1.901 178.118 176.300 -0.138 0.000 1.066 921 M CA 1.098 56.291 55.300 -0.178 0.000 1.123 921 M CB -0.209 32.380 32.600 -0.019 0.000 1.388 921 M HN 0.156 nan 8.290 nan 0.000 0.425 922 V N 0.034 119.909 119.914 -0.065 0.000 2.407 922 V HA -0.229 3.891 4.120 -0.000 0.000 0.245 922 V C 2.281 178.341 176.094 -0.058 0.000 1.041 922 V CA 1.658 63.931 62.300 -0.045 0.000 1.040 922 V CB -0.687 31.131 31.823 -0.008 0.000 0.671 922 V HN 0.523 nan 8.190 nan 0.000 0.455 923 Q N 0.343 120.108 119.800 -0.059 0.000 2.167 923 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 923 Q C 1.085 177.022 176.000 -0.106 0.000 0.970 923 Q CA 1.687 57.459 55.803 -0.051 0.000 0.855 923 Q CB 0.051 28.785 28.738 -0.006 0.000 0.911 923 Q HN 0.686 nan 8.270 nan 0.000 0.438 924 N N 0.660 119.232 118.700 -0.214 0.000 2.234 924 N HA 0.058 4.798 4.740 -0.000 0.000 0.227 924 N C -1.331 174.060 175.510 -0.197 0.000 1.151 924 N CA 0.010 52.916 53.050 -0.240 0.000 0.865 924 N CB 0.862 39.104 38.487 -0.408 0.000 1.066 924 N HN 0.056 nan 8.380 nan 0.000 0.515 925 D N 0.817 121.130 120.400 -0.145 0.000 2.704 925 D HA -0.158 4.482 4.640 -0.000 0.000 0.232 925 D C -0.844 175.396 176.300 -0.100 0.000 1.183 925 D CA 0.731 54.672 54.000 -0.098 0.000 0.647 925 D CB -0.483 40.277 40.800 -0.067 0.000 1.013 925 D HN 0.140 nan 8.370 nan 0.000 0.415 926 L N 0.679 121.827 121.223 -0.124 0.000 2.360 926 L HA 0.459 4.799 4.340 -0.000 0.000 0.271 926 L C 1.010 177.857 176.870 -0.038 0.000 1.057 926 L CA -0.113 54.674 54.840 -0.088 0.000 0.803 926 L CB 1.216 43.205 42.059 -0.117 0.000 1.207 926 L HN -0.092 nan 8.230 nan 0.000 0.445 927 D N 0.202 120.595 120.400 -0.013 0.000 2.487 927 D HA 0.282 4.922 4.640 -0.000 0.000 0.262 927 D C 0.819 177.135 176.300 0.028 0.000 1.130 927 D CA -0.496 53.506 54.000 0.004 0.000 1.038 927 D CB 0.762 41.564 40.800 0.003 0.000 1.142 927 D HN 0.391 nan 8.370 nan 0.000 0.575 928 E N -0.323 119.894 120.200 0.029 0.000 2.268 928 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 928 E C 1.379 178.008 176.600 0.049 0.000 0.995 928 E CA 1.038 57.465 56.400 0.046 0.000 0.836 928 E CB 0.131 29.854 29.700 0.038 0.000 0.763 928 E HN 0.191 nan 8.360 nan 0.000 0.491 929 Q N -0.560 119.261 119.800 0.033 0.000 2.123 929 Q HA 0.119 4.459 4.340 -0.000 0.000 0.196 929 Q C 2.123 178.143 176.000 0.035 0.000 0.958 929 Q CA 0.926 56.747 55.803 0.030 0.000 0.841 929 Q CB -0.086 28.663 28.738 0.018 0.000 0.915 929 Q HN 0.103 nan 8.270 nan 0.000 0.455 930 S N -0.058 115.660 115.700 0.030 0.000 2.370 930 S HA -0.155 4.315 4.470 -0.000 0.000 0.226 930 S C 1.968 176.601 174.600 0.054 0.000 1.033 930 S CA 1.467 59.683 58.200 0.025 0.000 1.011 930 S CB -0.522 62.677 63.200 -0.001 0.000 0.852 930 S HN 0.435 nan 8.310 nan 0.000 0.457 931 V N 2.102 122.074 119.914 0.098 0.000 2.295 931 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 931 V C 2.123 178.311 176.094 0.157 0.000 1.049 931 V CA 1.799 64.216 62.300 0.196 0.000 1.024 931 V CB -1.324 30.689 31.823 0.317 0.000 0.648 931 V HN 0.662 nan 8.190 nan 0.000 0.447 932 I N -0.600 120.020 120.570 0.083 0.000 2.676 932 I HA -0.050 4.120 4.170 -0.000 0.000 0.259 932 I C 2.187 178.321 176.117 0.028 0.000 1.194 932 I CA 1.838 63.156 61.300 0.029 0.000 1.473 932 I CB -1.016 36.996 38.000 0.021 0.000 1.096 932 I HN 0.211 nan 8.210 nan 0.000 0.443 933 T N 1.242 115.822 114.554 0.044 0.000 2.978 933 T HA -0.005 4.345 4.350 -0.000 0.000 0.262 933 T C 0.311 175.046 174.700 0.058 0.000 1.063 933 T CA 1.329 63.456 62.100 0.045 0.000 1.140 933 T CB -0.393 68.496 68.868 0.035 0.000 0.886 933 T HN 0.745 nan 8.240 nan 0.000 0.470 934 D N -0.239 120.196 120.400 0.059 0.000 2.992 934 D HA 0.346 4.986 4.640 -0.000 0.000 0.372 934 D C 1.222 177.563 176.300 0.068 0.000 1.374 934 D CA -0.509 53.532 54.000 0.068 0.000 0.769 934 D CB -0.110 40.716 40.800 0.044 0.000 1.215 934 D HN 0.144 nan 8.370 nan 0.000 0.473 935 G N -0.253 108.589 108.800 0.070 0.000 2.464 935 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 935 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 935 G C 0.880 175.836 174.900 0.093 0.000 1.138 935 G CA 0.149 45.328 45.100 0.132 0.000 0.793 935 G HN 0.342 nan 8.290 nan 0.000 0.539 936 Y N 1.320 121.687 120.300 0.110 0.000 2.483 936 Y HA -0.082 4.468 4.550 -0.000 0.000 0.291 936 Y C 2.647 178.574 175.900 0.045 0.000 1.143 936 Y CA 1.489 59.633 58.100 0.073 0.000 1.289 936 Y CB 0.259 38.742 38.460 0.037 0.000 0.983 936 Y HN 0.332 nan 8.280 nan 0.000 0.556 937 K N -0.966 119.524 120.400 0.150 0.000 2.358 937 K HA 0.173 4.493 4.320 -0.000 0.000 0.200 937 K C 1.223 177.821 176.600 -0.004 0.000 1.030 937 K CA 0.185 56.514 56.287 0.070 0.000 1.097 937 K CB -0.054 32.479 32.500 0.055 0.000 0.862 937 K HN 0.280 nan 8.250 nan 0.000 0.534 938 L N 1.379 122.558 121.223 -0.073 0.000 2.131 938 L HA -0.050 4.290 4.340 -0.000 0.000 0.206 938 L C -0.112 176.607 176.870 -0.252 0.000 1.087 938 L CA 0.698 55.394 54.840 -0.240 0.000 0.767 938 L CB -0.541 41.183 42.059 -0.559 0.000 0.917 938 L HN 0.409 nan 8.230 nan 0.000 0.441 939 D N -0.249 120.028 120.400 -0.204 0.000 4.353 939 D HA -0.228 4.412 4.640 -0.000 0.000 0.242 939 D C -0.659 175.492 176.300 -0.248 0.000 1.063 939 D CA 0.315 54.254 54.000 -0.103 0.000 1.224 939 D CB -0.913 39.865 40.800 -0.037 0.000 0.831 939 D HN -0.066 nan 8.370 nan 0.000 0.405 940 F N 2.592 122.442 119.950 -0.167 0.000 2.370 940 F HA 0.504 5.031 4.527 -0.000 0.000 0.324 940 F C -0.944 174.663 175.800 -0.322 0.000 1.116 940 F CA -1.714 56.060 58.000 -0.376 0.000 1.123 940 F CB 0.195 39.038 39.000 -0.262 0.000 1.238 940 F HN 0.116 nan 8.300 nan 0.000 0.536 941 P HA -0.028 nan 4.420 nan 0.000 0.266 941 P C 0.585 177.890 177.300 0.008 0.000 1.193 941 P CA 0.200 63.245 63.100 -0.092 0.000 0.770 941 P CB 0.564 32.219 31.700 -0.076 0.000 0.836 942 E N 1.176 121.388 120.200 0.020 0.000 2.097 942 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 942 E C 1.776 178.404 176.600 0.046 0.000 1.000 942 E CA 2.096 58.515 56.400 0.031 0.000 0.804 942 E CB -0.366 29.354 29.700 0.032 0.000 0.740 942 E HN 0.586 nan 8.360 nan 0.000 0.454 943 S N 0.228 115.965 115.700 0.060 0.000 2.428 943 S HA -0.061 4.409 4.470 -0.000 0.000 0.230 943 S C 2.130 176.796 174.600 0.110 0.000 1.014 943 S CA 0.941 59.187 58.200 0.076 0.000 0.957 943 S CB -0.134 63.110 63.200 0.074 0.000 0.784 943 S HN 0.112 nan 8.310 nan 0.000 0.499 944 V N 2.289 122.279 119.914 0.127 0.000 2.719 944 V HA -0.023 4.097 4.120 -0.000 0.000 0.252 944 V C 2.462 178.677 176.094 0.201 0.000 1.065 944 V CA 1.345 63.770 62.300 0.207 0.000 1.086 944 V CB 0.031 32.001 31.823 0.245 0.000 0.700 944 V HN 0.602 nan 8.190 nan 0.000 0.467 945 V N -2.129 117.828 119.914 0.073 0.000 2.548 945 V HA -0.093 4.027 4.120 -0.000 0.000 0.249 945 V C 2.392 178.481 176.094 -0.008 0.000 1.055 945 V CA 2.383 64.680 62.300 -0.005 0.000 1.065 945 V CB -0.697 31.108 31.823 -0.030 0.000 0.681 945 V HN 0.464 nan 8.190 nan 0.000 0.462 946 S N -0.097 115.619 115.700 0.026 0.000 2.368 946 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 946 S C 1.758 176.367 174.600 0.015 0.000 1.029 946 S CA 1.702 59.906 58.200 0.005 0.000 0.988 946 S CB -0.670 62.545 63.200 0.026 0.000 0.838 946 S HN 0.787 nan 8.310 nan 0.000 0.462 947 F N 0.647 120.533 119.950 -0.106 0.000 2.095 947 F HA -0.106 4.421 4.527 -0.000 0.000 0.298 947 F C 1.621 177.228 175.800 -0.322 0.000 1.104 947 F CA 1.668 59.557 58.000 -0.184 0.000 1.232 947 F CB -0.286 38.559 39.000 -0.260 0.000 0.987 947 F HN 0.258 nan 8.300 nan 0.000 0.475 948 F N 0.810 120.408 119.950 -0.585 0.000 2.558 948 F HA -0.021 4.506 4.527 -0.000 0.000 0.298 948 F C 2.060 177.313 175.800 -0.913 0.000 1.119 948 F CA 0.859 58.214 58.000 -1.075 0.000 1.451 948 F CB -0.300 38.221 39.000 -0.798 0.000 1.091 948 F HN -0.158 nan 8.300 nan 0.000 0.563 949 K N -0.089 120.091 120.400 -0.367 0.000 2.439 949 K HA 0.083 4.403 4.320 -0.000 0.000 0.197 949 K C 1.325 177.757 176.600 -0.280 0.000 1.041 949 K CA 0.883 56.993 56.287 -0.295 0.000 0.970 949 K CB -0.303 32.083 32.500 -0.191 0.000 0.773 949 K HN 0.329 nan 8.250 nan 0.000 0.479 950 G N 2.140 110.768 108.800 -0.287 0.000 2.165 950 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.226 950 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.226 950 G C 0.245 175.132 174.900 -0.022 0.000 1.035 950 G CA 0.178 45.217 45.100 -0.102 0.000 0.744 950 G HN 0.415 nan 8.290 nan 0.000 0.501 951 E N -1.025 119.156 120.200 -0.033 0.000 2.442 951 E HA 0.248 4.598 4.350 -0.000 0.000 0.195 951 E C 2.213 178.839 176.600 0.042 0.000 1.030 951 E CA 0.347 56.739 56.400 -0.012 0.000 0.869 951 E CB 0.300 29.970 29.700 -0.051 0.000 0.857 951 E HN 0.655 nan 8.360 nan 0.000 0.505 952 I N -0.226 120.405 120.570 0.103 0.000 3.462 952 I HA 0.140 4.310 4.170 -0.000 0.000 0.290 952 I C 1.030 177.257 176.117 0.184 0.000 1.236 952 I CA 0.379 61.765 61.300 0.142 0.000 1.418 952 I CB 0.885 39.012 38.000 0.211 0.000 1.102 952 I HN 0.100 nan 8.210 nan 0.000 0.441 953 G N -0.084 108.831 108.800 0.192 0.000 2.325 953 G HA2 0.016 3.976 3.960 -0.000 0.000 0.285 953 G HA3 0.016 3.976 3.960 -0.000 0.000 0.285 953 G C -1.552 173.306 174.900 -0.070 0.000 1.303 953 G CA -0.820 44.441 45.100 0.268 0.000 0.970 953 G HN -0.147 nan 8.290 nan 0.000 0.490 954 Q N 1.383 120.852 119.800 -0.552 0.000 2.325 954 Q HA 0.465 4.805 4.340 -0.000 0.000 0.262 954 Q C -2.178 173.374 176.000 -0.746 0.000 0.968 954 Q CA -1.636 53.603 55.803 -0.940 0.000 0.877 954 Q CB 2.061 29.856 28.738 -1.571 0.000 1.253 954 Q HN 0.503 nan 8.270 nan 0.000 0.448 955 P HA 0.022 nan 4.420 nan 0.000 0.272 955 P C 0.890 177.963 177.300 -0.379 0.000 1.230 955 P CA -0.222 62.635 63.100 -0.406 0.000 0.788 955 P CB 1.051 32.480 31.700 -0.451 0.000 0.949 956 V N 2.339 122.148 119.914 -0.176 0.000 2.231 956 V HA -0.322 3.798 4.120 -0.000 0.000 0.248 956 V C 2.226 178.206 176.094 -0.191 0.000 1.054 956 V CA 2.694 64.918 62.300 -0.127 0.000 1.015 956 V CB -1.615 30.175 31.823 -0.055 0.000 0.638 956 V HN 0.562 nan 8.190 nan 0.000 0.444 957 N N -0.593 117.987 118.700 -0.199 0.000 2.142 957 N HA 0.273 5.013 4.740 -0.000 0.000 0.186 957 N C 0.776 176.151 175.510 -0.224 0.000 1.023 957 N CA 1.258 54.200 53.050 -0.179 0.000 0.852 957 N CB 0.013 38.420 38.487 -0.132 0.000 0.998 957 N HN 0.680 nan 8.380 nan 0.000 0.424 958 G N -1.311 107.272 108.800 -0.360 0.000 2.343 958 G HA2 -0.067 3.893 3.960 -0.000 0.000 0.562 958 G HA3 -0.067 3.893 3.960 -0.000 0.000 0.562 958 G C -1.333 173.272 174.900 -0.491 0.000 1.269 958 G CA -0.988 43.837 45.100 -0.458 0.000 1.011 958 G HN 0.063 nan 8.290 nan 0.000 0.498 959 F N 0.494 120.354 119.950 -0.151 0.000 2.399 959 F HA 0.516 5.043 4.527 -0.000 0.000 0.328 959 F C 0.862 176.677 175.800 0.025 0.000 1.084 959 F CA -0.712 57.235 58.000 -0.089 0.000 1.053 959 F CB 1.555 40.489 39.000 -0.110 0.000 1.209 959 F HN 0.430 nan 8.300 nan 0.000 0.502 960 N N 2.425 121.333 118.700 0.348 0.000 2.406 960 N HA 0.010 4.750 4.740 -0.000 0.000 0.269 960 N C 0.602 176.201 175.510 0.148 0.000 1.210 960 N CA 0.303 53.483 53.050 0.215 0.000 0.966 960 N CB 0.353 38.974 38.487 0.224 0.000 1.293 960 N HN 0.540 nan 8.380 nan 0.000 0.491 961 K N 1.771 122.228 120.400 0.095 0.000 2.360 961 K HA -0.129 4.191 4.320 -0.000 0.000 0.201 961 K C 0.345 176.932 176.600 -0.022 0.000 1.046 961 K CA 1.183 57.492 56.287 0.036 0.000 0.945 961 K CB 0.277 32.797 32.500 0.035 0.000 0.750 961 K HN 0.517 nan 8.250 nan 0.000 0.464 962 D N 0.506 120.896 120.400 -0.016 0.000 2.120 962 D HA -0.107 4.533 4.640 -0.000 0.000 0.202 962 D C 1.585 177.807 176.300 -0.129 0.000 0.972 962 D CA 0.514 54.486 54.000 -0.048 0.000 0.837 962 D CB 0.064 40.857 40.800 -0.013 0.000 0.989 962 D HN -0.038 nan 8.370 nan 0.000 0.469 963 L N 0.665 121.810 121.223 -0.131 0.000 2.141 963 L HA -0.104 4.236 4.340 -0.000 0.000 0.209 963 L C 2.008 178.528 176.870 -0.584 0.000 1.094 963 L CA 1.627 56.297 54.840 -0.283 0.000 0.763 963 L CB -0.419 41.546 42.059 -0.156 0.000 0.908 963 L HN 0.023 nan 8.230 nan 0.000 0.437 964 Q N -0.947 118.584 119.800 -0.448 0.000 2.119 964 Q HA -0.180 4.160 4.340 -0.000 0.000 0.201 964 Q C 2.148 177.896 176.000 -0.420 0.000 0.972 964 Q CA 1.482 56.970 55.803 -0.525 0.000 0.847 964 Q CB -0.124 28.498 28.738 -0.193 0.000 0.903 964 Q HN 0.649 nan 8.270 nan 0.000 0.433 965 A N 0.328 122.978 122.820 -0.284 0.000 1.877 965 A HA -0.164 4.156 4.320 -0.000 0.000 0.216 965 A C 2.156 179.528 177.584 -0.354 0.000 1.186 965 A CA 1.826 53.739 52.037 -0.207 0.000 0.620 965 A CB -0.974 17.977 19.000 -0.081 0.000 0.822 965 A HN 0.421 nan 8.150 nan 0.000 0.443 966 V N -2.110 117.473 119.914 -0.552 0.000 2.548 966 V HA -0.137 3.982 4.120 -0.000 0.000 0.249 966 V C 2.206 178.008 176.094 -0.486 0.000 1.055 966 V CA 1.787 63.614 62.300 -0.787 0.000 1.065 966 V CB -0.852 30.620 31.823 -0.585 0.000 0.681 966 V HN 0.467 nan 8.190 nan 0.000 0.462 967 I N -0.095 120.083 120.570 -0.653 0.000 2.286 967 I HA -0.099 4.071 4.170 -0.000 0.000 0.245 967 I C 2.497 178.403 176.117 -0.352 0.000 1.104 967 I CA 1.443 62.285 61.300 -0.764 0.000 1.397 967 I CB -0.174 37.097 38.000 -1.215 0.000 1.072 967 I HN 0.246 nan 8.210 nan 0.000 0.417 968 L N 0.398 121.433 121.223 -0.313 0.000 2.217 968 L HA -0.092 4.247 4.340 -0.000 0.000 0.211 968 L C 0.875 177.706 176.870 -0.066 0.000 1.107 968 L CA 0.568 55.303 54.840 -0.176 0.000 0.783 968 L CB -0.297 41.655 42.059 -0.178 0.000 0.919 968 L HN 0.231 nan 8.230 nan 0.000 0.442 969 K N -0.232 120.161 120.400 -0.012 0.000 3.160 969 K HA -0.210 4.110 4.320 -0.000 0.000 0.280 969 K C 0.842 177.503 176.600 0.101 0.000 1.154 969 K CA 0.726 57.089 56.287 0.128 0.000 0.822 969 K CB -2.339 30.224 32.500 0.105 0.000 1.239 969 K HN 0.627 nan 8.250 nan 0.000 0.489 970 G N 0.581 109.419 108.800 0.064 0.000 2.165 970 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.226 970 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.226 970 G C -0.174 174.720 174.900 -0.011 0.000 1.035 970 G CA 0.560 45.677 45.100 0.029 0.000 0.744 970 G HN 0.434 nan 8.290 nan 0.000 0.501 971 Q N -0.197 119.581 119.800 -0.037 0.000 2.214 971 Q HA 0.481 4.821 4.340 -0.000 0.000 0.251 971 Q C 0.190 176.144 176.000 -0.077 0.000 0.936 971 Q CA -0.748 55.021 55.803 -0.056 0.000 0.894 971 Q CB 0.672 29.369 28.738 -0.068 0.000 1.252 971 Q HN 0.231 nan 8.270 nan 0.000 0.448 972 E N 1.041 121.193 120.200 -0.079 0.000 2.417 972 E HA 0.118 4.468 4.350 -0.000 0.000 0.261 972 E C -1.208 175.309 176.600 -0.138 0.000 1.000 972 E CA 0.134 56.477 56.400 -0.094 0.000 0.919 972 E CB 0.853 30.498 29.700 -0.091 0.000 0.955 972 E HN 0.570 nan 8.360 nan 0.000 0.455 973 A N 5.075 127.813 122.820 -0.137 0.000 2.305 973 A HA 0.442 4.762 4.320 -0.000 0.000 0.322 973 A C 0.088 177.580 177.584 -0.153 0.000 1.187 973 A CA -0.642 51.290 52.037 -0.176 0.000 0.825 973 A CB 0.521 19.405 19.000 -0.194 0.000 1.164 973 A HN 0.609 nan 8.150 nan 0.000 0.498 974 L N 2.284 123.390 121.223 -0.196 0.000 2.426 974 L HA 0.137 4.477 4.340 -0.000 0.000 0.271 974 L C 1.458 178.363 176.870 0.057 0.000 1.169 974 L CA -0.394 54.328 54.840 -0.198 0.000 0.836 974 L CB 0.706 42.578 42.059 -0.312 0.000 1.112 974 L HN 0.941 nan 8.230 nan 0.000 0.465 975 T N 1.432 116.142 114.554 0.260 0.000 2.706 975 T HA 0.023 4.373 4.350 -0.000 0.000 0.255 975 T C 0.817 175.682 174.700 0.276 0.000 1.048 975 T CA 1.205 63.451 62.100 0.243 0.000 1.153 975 T CB 0.168 69.182 68.868 0.244 0.000 0.865 975 T HN 0.756 nan 8.240 nan 0.000 0.414 976 A N 0.684 123.741 122.820 0.394 0.000 3.791 976 A HA 0.680 5.000 4.320 -0.000 0.000 0.159 976 A C 0.204 178.102 177.584 0.522 0.000 1.359 976 A CA -0.689 51.609 52.037 0.435 0.000 0.899 976 A CB 0.043 19.180 19.000 0.228 0.000 1.642 976 A HN 0.340 nan 8.150 nan 0.000 0.612 977 R N 0.313 121.011 120.500 0.329 0.000 2.502 977 R HA 0.101 4.441 4.340 -0.000 0.000 0.292 977 R C -2.023 174.435 176.300 0.263 0.000 0.998 977 R CA -0.745 55.469 56.100 0.190 0.000 1.056 977 R CB 0.169 30.426 30.300 -0.071 0.000 0.939 977 R HN 0.243 nan 8.270 nan 0.000 0.411 978 P HA -0.029 nan 4.420 nan 0.000 0.236 978 P C 0.515 177.910 177.300 0.157 0.000 1.172 978 P CA 1.092 64.311 63.100 0.199 0.000 0.759 978 P CB 0.305 32.050 31.700 0.076 0.000 0.843 979 G N 0.550 109.418 108.800 0.114 0.000 2.545 979 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.212 979 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.212 979 G C 1.108 176.039 174.900 0.053 0.000 1.144 979 G CA 0.007 45.145 45.100 0.065 0.000 0.813 979 G HN 0.425 nan 8.290 nan 0.000 0.531 980 E N -0.669 119.547 120.200 0.027 0.000 2.445 980 E HA 0.139 4.489 4.350 -0.000 0.000 0.189 980 E C 1.065 177.585 176.600 -0.132 0.000 1.069 980 E CA -0.238 56.128 56.400 -0.057 0.000 0.871 980 E CB -0.165 29.472 29.700 -0.104 0.000 0.991 980 E HN 0.528 nan 8.360 nan 0.000 0.481 981 Y N 1.040 121.336 120.300 -0.006 0.000 2.343 981 Y HA 0.195 4.745 4.550 -0.000 0.000 0.294 981 Y C 1.187 177.075 175.900 -0.020 0.000 1.122 981 Y CA 0.020 58.114 58.100 -0.010 0.000 1.173 981 Y CB 0.462 38.916 38.460 -0.011 0.000 1.077 981 Y HN -0.017 nan 8.280 nan 0.000 0.542 982 L N 1.366 122.667 121.223 0.130 0.000 2.417 982 L HA 0.081 4.421 4.340 -0.000 0.000 0.268 982 L C 0.214 177.098 176.870 0.022 0.000 1.158 982 L CA -0.489 54.384 54.840 0.055 0.000 0.819 982 L CB 0.388 42.459 42.059 0.020 0.000 1.112 982 L HN 0.100 nan 8.230 nan 0.000 0.458 983 E N 2.548 122.751 120.200 0.005 0.000 2.373 983 E HA 0.211 4.561 4.350 -0.000 0.000 0.267 983 E C -2.092 174.491 176.600 -0.028 0.000 1.032 983 E CA -1.720 54.672 56.400 -0.012 0.000 0.889 983 E CB 0.264 29.954 29.700 -0.017 0.000 0.984 983 E HN 0.292 nan 8.360 nan 0.000 0.425 984 P HA -0.067 nan 4.420 nan 0.000 0.269 984 P C -0.437 176.784 177.300 -0.133 0.000 1.211 984 P CA 0.057 63.121 63.100 -0.061 0.000 0.781 984 P CB 0.434 32.108 31.700 -0.043 0.000 0.877 985 V N 2.692 122.445 119.914 -0.268 0.000 2.432 985 V HA 0.054 4.174 4.120 -0.000 0.000 0.275 985 V C 0.622 176.382 176.094 -0.556 0.000 1.043 985 V CA -0.093 61.933 62.300 -0.456 0.000 0.925 985 V CB 0.866 32.286 31.823 -0.672 0.000 0.985 985 V HN 0.518 nan 8.190 nan 0.000 0.466 986 D N 4.428 124.649 120.400 -0.299 0.000 2.441 986 D HA 0.089 4.729 4.640 -0.000 0.000 0.243 986 D C 0.906 177.123 176.300 -0.138 0.000 1.257 986 D CA 0.146 54.049 54.000 -0.163 0.000 1.027 986 D CB 0.115 40.873 40.800 -0.071 0.000 1.084 986 D HN 0.482 nan 8.370 nan 0.000 0.514 987 F N 1.148 121.113 119.950 0.025 0.000 2.269 987 F HA -0.130 4.397 4.527 -0.000 0.000 0.301 987 F C 2.332 178.136 175.800 0.006 0.000 1.082 987 F CA 0.556 58.570 58.000 0.023 0.000 1.360 987 F CB 0.292 39.305 39.000 0.022 0.000 1.041 987 F HN 0.298 nan 8.300 nan 0.000 0.512 988 E N 0.571 120.866 120.200 0.157 0.000 2.072 988 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 988 E C 2.083 178.710 176.600 0.045 0.000 0.982 988 E CA 0.859 57.311 56.400 0.086 0.000 0.803 988 E CB -0.278 29.459 29.700 0.061 0.000 0.755 988 E HN 0.429 nan 8.360 nan 0.000 0.453 989 K N 0.532 120.948 120.400 0.027 0.000 2.063 989 K HA -0.102 4.218 4.320 -0.000 0.000 0.208 989 K C 2.226 178.823 176.600 -0.004 0.000 1.048 989 K CA 1.157 57.448 56.287 0.006 0.000 0.928 989 K CB -0.069 32.431 32.500 -0.002 0.000 0.713 989 K HN -0.043 nan 8.250 nan 0.000 0.442 990 V N 1.297 121.217 119.914 0.010 0.000 2.307 990 V HA -0.250 3.870 4.120 -0.000 0.000 0.245 990 V C 2.345 178.412 176.094 -0.045 0.000 1.045 990 V CA 1.960 64.248 62.300 -0.020 0.000 1.024 990 V CB -0.535 31.336 31.823 0.080 0.000 0.651 990 V HN 0.306 nan 8.190 nan 0.000 0.449 991 R N 1.241 121.756 120.500 0.025 0.000 2.096 991 R HA -0.223 4.117 4.340 -0.000 0.000 0.240 991 R C 2.037 178.328 176.300 -0.014 0.000 1.139 991 R CA 2.286 58.394 56.100 0.012 0.000 0.952 991 R CB -0.664 29.659 30.300 0.038 0.000 0.854 991 R HN 0.590 nan 8.270 nan 0.000 0.436 992 E N -0.309 119.884 120.200 -0.010 0.000 2.204 992 E HA -0.142 4.208 4.350 -0.000 0.000 0.194 992 E C 1.763 178.343 176.600 -0.032 0.000 0.989 992 E CA 0.957 57.349 56.400 -0.015 0.000 0.824 992 E CB -0.115 29.582 29.700 -0.006 0.000 0.756 992 E HN 0.250 nan 8.360 nan 0.000 0.477 993 L N 0.611 121.796 121.223 -0.063 0.000 2.027 993 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 993 L C 1.915 178.725 176.870 -0.100 0.000 1.074 993 L CA 1.607 56.390 54.840 -0.095 0.000 0.745 993 L CB -0.245 41.717 42.059 -0.163 0.000 0.898 993 L HN 0.105 nan 8.230 nan 0.000 0.433 994 L N -0.875 120.275 121.223 -0.122 0.000 2.156 994 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 994 L C 2.554 179.423 176.870 -0.002 0.000 1.095 994 L CA 0.692 55.498 54.840 -0.057 0.000 0.770 994 L CB -0.708 41.323 42.059 -0.046 0.000 0.914 994 L HN 0.286 nan 8.230 nan 0.000 0.439 995 E N 0.186 120.381 120.200 -0.009 0.000 2.051 995 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 995 E C 2.015 178.617 176.600 0.004 0.000 0.991 995 E CA 1.004 57.406 56.400 0.004 0.000 0.799 995 E CB -0.104 29.597 29.700 0.001 0.000 0.748 995 E HN 0.445 nan 8.360 nan 0.000 0.449 996 E N 0.919 121.117 120.200 -0.004 0.000 2.150 996 E HA -0.172 4.178 4.350 -0.000 0.000 0.193 996 E C 1.726 178.327 176.600 0.002 0.000 0.985 996 E CA 0.720 57.119 56.400 -0.002 0.000 0.814 996 E CB 0.148 29.845 29.700 -0.006 0.000 0.752 996 E HN 0.320 nan 8.360 nan 0.000 0.466 997 E N -0.150 120.052 120.200 0.003 0.000 2.152 997 E HA -0.095 4.254 4.350 -0.000 0.000 0.192 997 E C 0.802 177.411 176.600 0.014 0.000 0.983 997 E CA 0.614 57.021 56.400 0.012 0.000 0.818 997 E CB 0.270 29.983 29.700 0.020 0.000 0.758 997 E HN 0.264 nan 8.360 nan 0.000 0.467 998 Q N -0.590 119.222 119.800 0.019 0.000 2.633 998 Q HA 0.089 4.428 4.340 -0.000 0.000 0.208 998 Q C 1.357 177.364 176.000 0.013 0.000 1.010 998 Q CA -0.660 55.154 55.803 0.018 0.000 0.982 998 Q CB 0.447 29.206 28.738 0.035 0.000 1.334 998 Q HN -0.030 nan 8.270 nan 0.000 0.508 999 Q N -0.332 119.475 119.800 0.012 0.000 2.050 999 Q HA -0.044 4.296 4.340 -0.000 0.000 0.202 999 Q C 0.414 176.421 176.000 0.013 0.000 0.980 999 Q CA 1.763 57.572 55.803 0.010 0.000 0.840 999 Q CB -0.101 28.642 28.738 0.009 0.000 0.898 999 Q HN 0.920 nan 8.270 nan 0.000 0.424 1000 G N 1.201 110.012 108.800 0.018 0.000 2.542 1000 G HA2 0.006 3.966 3.960 -0.000 0.000 0.223 1000 G HA3 0.006 3.966 3.960 -0.000 0.000 0.223 1000 G C -2.168 172.744 174.900 0.020 0.000 1.041 1000 G CA -0.013 45.097 45.100 0.017 0.000 0.928 1000 G HN 0.364 nan 8.290 nan 0.000 0.558 1001 P HA 0.378 nan 4.420 nan 0.000 0.207 1001 P C 0.701 178.018 177.300 0.029 0.000 1.208 1001 P CA 0.808 63.925 63.100 0.029 0.000 0.908 1001 P CB 0.280 32.005 31.700 0.041 0.000 0.744 1002 V N 0.077 120.019 119.914 0.047 0.000 3.548 1002 V HA -0.128 3.992 4.120 -0.000 0.000 0.496 1002 V C 0.294 176.397 176.094 0.014 0.000 0.682 1002 V CA 0.699 63.025 62.300 0.043 0.000 2.033 1002 V CB -2.421 29.420 31.823 0.029 0.000 2.463 1002 V HN 0.719 nan 8.190 nan 0.000 0.506 1003 T N 1.897 116.454 114.554 0.006 0.000 2.936 1003 T HA 0.597 4.947 4.350 -0.000 0.000 0.282 1003 T C 0.946 175.595 174.700 -0.085 0.000 1.003 1003 T CA -0.207 61.865 62.100 -0.047 0.000 1.005 1003 T CB 1.977 70.803 68.868 -0.070 0.000 1.097 1003 T HN 0.575 nan 8.240 nan 0.000 0.532 1004 E N 0.392 120.511 120.200 -0.135 0.000 2.150 1004 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 1004 E C 2.142 178.601 176.600 -0.235 0.000 0.985 1004 E CA 1.228 57.525 56.400 -0.172 0.000 0.814 1004 E CB -0.214 29.374 29.700 -0.187 0.000 0.752 1004 E HN 0.730 nan 8.360 nan 0.000 0.466 1005 Q N 0.593 120.160 119.800 -0.389 0.000 2.124 1005 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 1005 Q C 1.799 177.643 176.000 -0.260 0.000 0.977 1005 Q CA 1.138 56.509 55.803 -0.719 0.000 0.850 1005 Q CB -0.019 27.984 28.738 -1.225 0.000 0.901 1005 Q HN 0.284 nan 8.270 nan 0.000 0.429 1006 D N 0.685 121.029 120.400 -0.093 0.000 2.123 1006 D HA -0.151 4.489 4.640 -0.000 0.000 0.196 1006 D C 1.925 178.161 176.300 -0.107 0.000 0.992 1006 D CA 1.081 55.087 54.000 0.010 0.000 0.833 1006 D CB -0.072 40.798 40.800 0.116 0.000 0.954 1006 D HN 0.291 nan 8.370 nan 0.000 0.455 1007 I N 0.851 121.401 120.570 -0.035 0.000 2.202 1007 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 1007 I C 2.270 178.491 176.117 0.174 0.000 1.091 1007 I CA 0.894 62.224 61.300 0.050 0.000 1.368 1007 I CB -0.289 37.744 38.000 0.055 0.000 1.058 1007 I HN -0.021 nan 8.210 nan 0.000 0.410 1008 I N -0.618 120.058 120.570 0.177 0.000 2.500 1008 I HA -0.102 4.068 4.170 -0.000 0.000 0.252 1008 I C 2.474 178.790 176.117 0.332 0.000 1.142 1008 I CA 0.961 62.437 61.300 0.293 0.000 1.451 1008 I CB -0.953 37.248 38.000 0.335 0.000 1.093 1008 I HN -0.046 nan 8.210 nan 0.000 0.430 1009 S N 0.346 116.291 115.700 0.409 0.000 2.359 1009 S HA -0.238 4.232 4.470 -0.000 0.000 0.224 1009 S C 2.035 176.726 174.600 0.151 0.000 1.035 1009 S CA 1.793 60.300 58.200 0.512 0.000 1.018 1009 S CB -0.636 62.897 63.200 0.554 0.000 0.876 1009 S HN 0.620 nan 8.310 nan 0.000 0.448 1010 Y N 2.174 122.295 120.300 -0.298 0.000 2.114 1010 Y HA -0.171 4.379 4.550 -0.000 0.000 0.284 1010 Y C 2.274 178.200 175.900 0.043 0.000 1.143 1010 Y CA 1.353 59.309 58.100 -0.239 0.000 1.135 1010 Y CB -0.659 37.608 38.460 -0.321 0.000 0.980 1010 Y HN 0.007 nan 8.280 nan 0.000 0.499 1011 V N 0.662 120.677 119.914 0.169 0.000 2.332 1011 V HA -0.354 3.766 4.120 -0.000 0.000 0.248 1011 V C 2.444 178.544 176.094 0.011 0.000 1.055 1011 V CA 2.234 64.601 62.300 0.113 0.000 1.038 1011 V CB -0.745 31.210 31.823 0.220 0.000 0.651 1011 V HN 0.477 nan 8.190 nan 0.000 0.450 1012 L N -2.013 119.190 121.223 -0.033 0.000 2.072 1012 L HA -0.078 4.261 4.340 -0.000 0.000 0.205 1012 L C 0.562 177.352 176.870 -0.135 0.000 1.079 1012 L CA 1.403 56.115 54.840 -0.214 0.000 0.752 1012 L CB -0.077 41.886 42.059 -0.161 0.000 0.906 1012 L HN 0.353 nan 8.230 nan 0.000 0.436 1013 Y N -1.285 119.116 120.300 0.168 0.000 2.535 1013 Y HA 0.225 4.775 4.550 -0.000 0.000 0.351 1013 Y C -1.716 174.164 175.900 -0.033 0.000 1.050 1013 Y CA -1.988 56.202 58.100 0.150 0.000 1.168 1013 Y CB 0.301 38.857 38.460 0.160 0.000 1.116 1013 Y HN -0.082 nan 8.280 nan 0.000 0.654 1014 P HA -0.203 nan 4.420 nan 0.000 0.213 1014 P C 1.291 178.570 177.300 -0.034 0.000 1.170 1014 P CA 1.556 64.419 63.100 -0.396 0.000 0.898 1014 P CB 0.709 32.148 31.700 -0.435 0.000 0.787 1015 K N -0.201 120.204 120.400 0.008 0.000 2.009 1015 K HA -0.085 4.235 4.320 -0.000 0.000 0.210 1015 K C 2.172 178.808 176.600 0.060 0.000 1.049 1015 K CA 1.194 57.504 56.287 0.037 0.000 0.929 1015 K CB -1.397 31.099 32.500 -0.006 0.000 0.714 1015 K HN -0.075 nan 8.250 nan 0.000 0.440 1016 V N 0.083 120.036 119.914 0.065 0.000 2.295 1016 V HA -0.273 3.847 4.120 -0.000 0.000 0.246 1016 V C 2.034 178.166 176.094 0.064 0.000 1.049 1016 V CA 2.006 64.332 62.300 0.044 0.000 1.024 1016 V CB -0.626 31.210 31.823 0.023 0.000 0.648 1016 V HN 0.312 nan 8.190 nan 0.000 0.447 1017 Y N 1.082 121.352 120.300 -0.050 0.000 2.224 1017 Y HA -0.198 4.352 4.550 -0.000 0.000 0.289 1017 Y C 2.634 178.608 175.900 0.124 0.000 1.146 1017 Y CA 1.909 59.956 58.100 -0.089 0.000 1.182 1017 Y CB -0.058 38.358 38.460 -0.075 0.000 0.983 1017 Y HN 0.262 nan 8.280 nan 0.000 0.524 1018 E N 0.252 120.576 120.200 0.207 0.000 2.072 1018 E HA -0.239 4.111 4.350 -0.000 0.000 0.191 1018 E C 2.090 178.695 176.600 0.009 0.000 0.985 1018 E CA 1.512 57.987 56.400 0.125 0.000 0.801 1018 E CB -0.373 29.456 29.700 0.216 0.000 0.750 1018 E HN 0.672 nan 8.360 nan 0.000 0.452 1019 Q N -0.314 119.506 119.800 0.034 0.000 2.226 1019 Q HA -0.182 4.158 4.340 -0.000 0.000 0.204 1019 Q C 1.949 177.956 176.000 0.011 0.000 0.975 1019 Q CA 1.325 57.136 55.803 0.014 0.000 0.866 1019 Q CB -0.257 28.495 28.738 0.022 0.000 0.915 1019 Q HN 0.337 nan 8.270 nan 0.000 0.440 1020 Y N 0.691 120.926 120.300 -0.107 0.000 2.133 1020 Y HA -0.212 4.338 4.550 -0.000 0.000 0.287 1020 Y C 1.802 177.624 175.900 -0.129 0.000 1.134 1020 Y CA 1.164 59.209 58.100 -0.091 0.000 1.133 1020 Y CB -0.116 38.290 38.460 -0.089 0.000 0.987 1020 Y HN 0.007 nan 8.280 nan 0.000 0.502 1021 I N 0.855 121.171 120.570 -0.425 0.000 2.264 1021 I HA -0.294 3.876 4.170 -0.000 0.000 0.248 1021 I C 2.220 178.159 176.117 -0.296 0.000 1.111 1021 I CA 1.360 62.399 61.300 -0.435 0.000 1.382 1021 I CB -1.305 36.517 38.000 -0.298 0.000 1.060 1021 I HN 0.424 nan 8.210 nan 0.000 0.418 1022 Q N 0.112 119.794 119.800 -0.196 0.000 2.084 1022 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 1022 Q C 2.257 178.147 176.000 -0.183 0.000 0.978 1022 Q CA 1.839 57.555 55.803 -0.146 0.000 0.844 1022 Q CB -0.625 28.062 28.738 -0.084 0.000 0.898 1022 Q HN 0.470 nan 8.270 nan 0.000 0.426 1023 T N 0.567 115.008 114.554 -0.187 0.000 2.770 1023 T HA -0.117 4.233 4.350 -0.000 0.000 0.263 1023 T C 1.867 176.449 174.700 -0.197 0.000 1.039 1023 T CA 1.289 63.306 62.100 -0.139 0.000 1.142 1023 T CB -0.114 68.754 68.868 -0.001 0.000 0.868 1023 T HN 0.272 nan 8.240 nan 0.000 0.435 1024 R N 1.272 121.557 120.500 -0.358 0.000 2.103 1024 R HA -0.093 4.247 4.340 -0.000 0.000 0.242 1024 R C 2.116 178.300 176.300 -0.193 0.000 1.142 1024 R CA 1.954 57.865 56.100 -0.314 0.000 0.960 1024 R CB -0.337 29.666 30.300 -0.495 0.000 0.858 1024 R HN 0.493 nan 8.270 nan 0.000 0.439 1025 N N -0.517 118.062 118.700 -0.201 0.000 2.223 1025 N HA -0.207 4.533 4.740 -0.000 0.000 0.185 1025 N C 1.803 177.210 175.510 -0.171 0.000 1.016 1025 N CA 1.103 54.062 53.050 -0.152 0.000 0.863 1025 N CB 0.016 38.422 38.487 -0.135 0.000 0.983 1025 N HN 0.386 nan 8.380 nan 0.000 0.429 1026 Q N -0.439 119.201 119.800 -0.267 0.000 2.165 1026 Q HA -0.021 4.319 4.340 -0.000 0.000 0.197 1026 Q C 0.553 176.312 176.000 -0.400 0.000 0.952 1026 Q CA 0.940 56.478 55.803 -0.442 0.000 0.848 1026 Q CB 0.338 28.618 28.738 -0.763 0.000 0.931 1026 Q HN 0.514 nan 8.270 nan 0.000 0.470 1027 Y N -1.145 119.150 120.300 -0.008 0.000 2.500 1027 Y HA 0.334 4.884 4.550 -0.000 0.000 0.246 1027 Y C 0.946 176.820 175.900 -0.044 0.000 1.146 1027 Y CA -0.360 57.744 58.100 0.007 0.000 1.230 1027 Y CB 1.452 39.939 38.460 0.045 0.000 1.214 1027 Y HN 0.294 nan 8.280 nan 0.000 0.526 1028 G N 1.865 110.693 108.800 0.047 0.000 2.562 1028 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.250 1028 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.250 1028 G C -0.459 174.444 174.900 0.006 0.000 1.269 1028 G CA -0.155 44.950 45.100 0.009 0.000 0.919 1028 G HN 0.453 nan 8.290 nan 0.000 0.574 1029 N N 0.735 119.439 118.700 0.007 0.000 2.508 1029 N HA 0.392 5.132 4.740 -0.000 0.000 0.253 1029 N C 1.837 177.339 175.510 -0.013 0.000 1.145 1029 N CA -0.378 52.682 53.050 0.017 0.000 0.973 1029 N CB -0.065 38.437 38.487 0.025 0.000 1.305 1029 N HN 0.498 nan 8.380 nan 0.000 0.506 1030 L N 1.829 123.040 121.223 -0.020 0.000 2.275 1030 L HA -0.145 4.195 4.340 -0.000 0.000 0.215 1030 L C 2.463 179.277 176.870 -0.094 0.000 1.119 1030 L CA 0.608 55.406 54.840 -0.070 0.000 0.790 1030 L CB -0.403 41.654 42.059 -0.003 0.000 0.919 1030 L HN 0.601 nan 8.230 nan 0.000 0.443 1031 S N 0.017 115.664 115.700 -0.089 0.000 2.442 1031 S HA -0.131 4.339 4.470 -0.000 0.000 0.236 1031 S C 1.858 176.388 174.600 -0.117 0.000 1.007 1031 S CA 0.799 58.910 58.200 -0.147 0.000 0.965 1031 S CB -0.557 62.590 63.200 -0.087 0.000 0.773 1031 S HN 0.424 nan 8.310 nan 0.000 0.504 1032 L N 0.684 121.865 121.223 -0.070 0.000 2.141 1032 L HA 0.144 4.484 4.340 -0.000 0.000 0.209 1032 L C 1.135 177.974 176.870 -0.051 0.000 1.094 1032 L CA 0.365 55.176 54.840 -0.048 0.000 0.763 1032 L CB -0.650 41.392 42.059 -0.028 0.000 0.908 1032 L HN 0.291 nan 8.230 nan 0.000 0.437 1033 L N 1.242 122.431 121.223 -0.057 0.000 2.499 1033 L HA -0.026 4.314 4.340 -0.000 0.000 0.281 1033 L C 0.411 177.244 176.870 -0.061 0.000 1.234 1033 L CA -0.096 54.726 54.840 -0.030 0.000 0.839 1033 L CB 0.051 42.129 42.059 0.032 0.000 1.104 1033 L HN 0.294 nan 8.230 nan 0.000 0.500 1034 D N 0.628 121.001 120.400 -0.044 0.000 2.339 1034 D HA 0.018 4.658 4.640 -0.000 0.000 0.245 1034 D C 0.608 176.830 176.300 -0.131 0.000 1.115 1034 D CA -0.457 53.495 54.000 -0.080 0.000 0.917 1034 D CB 1.353 42.108 40.800 -0.074 0.000 1.192 1034 D HN 0.479 nan 8.370 nan 0.000 0.428 1035 T N 1.657 116.085 114.554 -0.211 0.000 2.684 1035 T HA -0.066 4.284 4.350 -0.000 0.000 0.267 1035 T C -0.960 173.600 174.700 -0.233 0.000 1.036 1035 T CA 1.466 63.390 62.100 -0.294 0.000 1.148 1035 T CB -0.911 67.835 68.868 -0.203 0.000 0.863 1035 T HN 0.471 nan 8.240 nan 0.000 0.436 1036 P HA -0.065 nan 4.420 nan 0.000 0.216 1036 P C 1.594 178.981 177.300 0.145 0.000 1.153 1036 P CA 1.269 64.363 63.100 -0.010 0.000 0.858 1036 P CB -0.233 31.339 31.700 -0.213 0.000 0.789 1037 T N -1.244 113.333 114.554 0.038 0.000 2.777 1037 T HA -0.127 4.223 4.350 -0.000 0.000 0.266 1037 T C 1.425 176.193 174.700 0.113 0.000 1.040 1037 T CA 0.862 63.016 62.100 0.089 0.000 1.141 1037 T CB -1.000 67.910 68.868 0.069 0.000 0.868 1037 T HN 0.003 nan 8.240 nan 0.000 0.444 1038 F N 0.893 120.763 119.950 -0.133 0.000 2.126 1038 F HA -0.061 4.466 4.527 -0.000 0.000 0.299 1038 F C 1.579 177.162 175.800 -0.363 0.000 1.096 1038 F CA 1.340 59.214 58.000 -0.210 0.000 1.255 1038 F CB -0.383 38.289 39.000 -0.546 0.000 0.997 1038 F HN 0.200 nan 8.300 nan 0.000 0.479 1039 F N -2.630 117.106 119.950 -0.357 0.000 2.619 1039 F HA 0.044 4.571 4.527 -0.000 0.000 0.293 1039 F C 1.241 176.466 175.800 -0.958 0.000 1.119 1039 F CA 0.163 57.566 58.000 -0.996 0.000 1.445 1039 F CB 0.001 38.321 39.000 -1.134 0.000 1.119 1039 F HN -0.122 nan 8.300 nan 0.000 0.573 1040 F N -1.048 118.913 119.950 0.019 0.000 2.831 1040 F HA 0.422 4.949 4.527 -0.000 0.000 0.334 1040 F C 1.423 177.216 175.800 -0.011 0.000 1.071 1040 F CA 0.298 58.304 58.000 0.010 0.000 1.172 1040 F CB 0.157 39.161 39.000 0.007 0.000 1.054 1040 F HN -0.012 nan 8.300 nan 0.000 0.572 1041 G N 1.857 110.726 108.800 0.114 0.000 2.514 1041 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.265 1041 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.265 1041 G C -0.267 174.697 174.900 0.107 0.000 1.150 1041 G CA -0.004 45.139 45.100 0.071 0.000 0.959 1041 G HN 0.053 nan 8.290 nan 0.000 0.556 1042 M N 0.192 119.847 119.600 0.093 0.000 2.501 1042 M HA 0.487 4.967 4.480 -0.000 0.000 0.293 1042 M C 0.191 176.524 176.300 0.055 0.000 1.192 1042 M CA -0.777 54.574 55.300 0.084 0.000 0.886 1042 M CB 2.687 35.355 32.600 0.113 0.000 1.710 1042 M HN 0.596 nan 8.290 nan 0.000 0.457 1043 R N 0.736 121.260 120.500 0.039 0.000 2.560 1043 R HA 0.316 4.656 4.340 -0.000 0.000 0.270 1043 R C -0.386 175.921 176.300 0.012 0.000 1.074 1043 R CA -0.557 55.554 56.100 0.020 0.000 1.140 1043 R CB 0.298 30.605 30.300 0.011 0.000 1.073 1043 R HN 0.618 nan 8.270 nan 0.000 0.527 1044 N N 0.369 119.068 118.700 -0.002 0.000 2.359 1044 N HA 0.037 4.777 4.740 -0.000 0.000 0.261 1044 N C 0.807 176.315 175.510 -0.004 0.000 1.267 1044 N CA 0.925 53.968 53.050 -0.013 0.000 0.864 1044 N CB 0.432 38.905 38.487 -0.022 0.000 1.063 1044 N HN 0.849 nan 8.380 nan 0.000 0.474 1045 G N 0.617 109.417 108.800 -0.000 0.000 2.179 1045 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 1045 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 1045 G C 0.074 174.986 174.900 0.019 0.000 0.977 1045 G CA -0.017 45.087 45.100 0.007 0.000 0.641 1045 G HN 0.651 nan 8.290 nan 0.000 0.533 1046 E N 0.582 120.798 120.200 0.027 0.000 2.373 1046 E HA 0.513 4.863 4.350 -0.000 0.000 0.263 1046 E C -0.446 176.182 176.600 0.047 0.000 1.073 1046 E CA 0.148 56.568 56.400 0.033 0.000 0.894 1046 E CB 0.525 30.246 29.700 0.034 0.000 1.008 1046 E HN 0.134 nan 8.360 nan 0.000 0.420 1047 T N 2.406 116.983 114.554 0.038 0.000 2.809 1047 T HA 0.383 4.733 4.350 -0.000 0.000 0.284 1047 T C -0.840 173.880 174.700 0.034 0.000 0.992 1047 T CA -0.562 61.562 62.100 0.041 0.000 0.957 1047 T CB 1.334 70.220 68.868 0.031 0.000 0.942 1047 T HN 0.176 nan 8.240 nan 0.000 0.439 1048 V N 3.381 123.318 119.914 0.038 0.000 2.628 1048 V HA 0.472 4.592 4.120 -0.000 0.000 0.306 1048 V C -0.407 175.698 176.094 0.018 0.000 1.045 1048 V CA -0.837 61.480 62.300 0.028 0.000 0.905 1048 V CB 2.062 33.908 31.823 0.038 0.000 0.997 1048 V HN 0.853 nan 8.190 nan 0.000 0.436 1049 E N 4.741 124.947 120.200 0.011 0.000 2.185 1049 E HA 0.482 4.832 4.350 -0.000 0.000 0.261 1049 E C -1.288 175.313 176.600 0.001 0.000 0.879 1049 E CA -0.435 55.968 56.400 0.005 0.000 0.756 1049 E CB 2.313 32.016 29.700 0.006 0.000 1.152 1049 E HN 0.497 nan 8.360 nan 0.000 0.416 1050 I N 2.657 123.225 120.570 -0.003 0.000 2.297 1050 I HA 0.071 4.241 4.170 -0.000 0.000 0.291 1050 I C 0.286 176.398 176.117 -0.008 0.000 1.033 1050 I CA -0.587 60.710 61.300 -0.006 0.000 1.253 1050 I CB 0.780 38.774 38.000 -0.009 0.000 1.396 1050 I HN 0.421 nan 8.210 nan 0.000 0.476 1051 E N 6.713 126.909 120.200 -0.006 0.000 2.029 1051 E HA 0.145 4.495 4.350 -0.000 0.000 0.276 1051 E C 0.478 177.074 176.600 -0.008 0.000 1.163 1051 E CA 0.331 56.728 56.400 -0.005 0.000 0.909 1051 E CB 0.450 30.149 29.700 -0.003 0.000 1.046 1051 E HN 0.572 nan 8.360 nan 0.000 0.406 1052 I N 2.722 123.287 120.570 -0.007 0.000 2.277 1052 I HA 0.036 4.206 4.170 -0.000 0.000 0.243 1052 I C 0.666 176.780 176.117 -0.005 0.000 1.094 1052 I CA 0.854 62.150 61.300 -0.007 0.000 1.393 1052 I CB 0.165 38.160 38.000 -0.008 0.000 1.078 1052 I HN 0.577 nan 8.210 nan 0.000 0.417 1053 D N -1.355 119.042 120.400 -0.005 0.000 2.738 1053 D HA 0.136 4.776 4.640 -0.000 0.000 0.308 1053 D C -0.930 175.367 176.300 -0.005 0.000 1.311 1053 D CA -0.688 53.310 54.000 -0.004 0.000 0.799 1053 D CB 0.985 41.783 40.800 -0.003 0.000 1.332 1053 D HN -0.242 nan 8.370 nan 0.000 0.441 1054 K N 0.398 120.795 120.400 -0.005 0.000 2.402 1054 K HA 0.366 4.686 4.320 -0.000 0.000 0.279 1054 K C 0.816 177.412 176.600 -0.006 0.000 1.082 1054 K CA 1.408 57.691 56.287 -0.006 0.000 1.080 1054 K CB -0.308 32.188 32.500 -0.007 0.000 0.899 1054 K HN 0.645 nan 8.250 nan 0.000 0.469 1055 G N 3.340 112.137 108.800 -0.006 0.000 2.168 1055 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.263 1055 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.263 1055 G C -0.479 174.418 174.900 -0.006 0.000 0.977 1055 G CA 0.822 45.919 45.100 -0.006 0.000 0.659 1055 G HN 0.599 nan 8.290 nan 0.000 0.533 1056 K N -0.199 120.197 120.400 -0.006 0.000 2.426 1056 K HA 0.726 5.046 4.320 -0.000 0.000 0.254 1056 K C -0.116 176.480 176.600 -0.007 0.000 0.936 1056 K CA -1.036 55.247 56.287 -0.007 0.000 0.801 1056 K CB 2.186 34.681 32.500 -0.007 0.000 1.139 1056 K HN 0.573 nan 8.250 nan 0.000 0.424 1057 R N 2.404 122.899 120.500 -0.007 0.000 2.707 1057 R HA 0.440 4.780 4.340 -0.000 0.000 0.272 1057 R C -1.235 175.059 176.300 -0.010 0.000 1.011 1057 R CA -1.062 55.033 56.100 -0.008 0.000 0.893 1057 R CB 1.102 31.399 30.300 -0.005 0.000 1.233 1057 R HN 0.498 nan 8.270 nan 0.000 0.464 1058 L N 2.976 124.191 121.223 -0.013 0.000 2.255 1058 L HA 0.374 4.714 4.340 -0.000 0.000 0.289 1058 L C -0.263 176.598 176.870 -0.014 0.000 1.046 1058 L CA -1.049 53.779 54.840 -0.019 0.000 0.816 1058 L CB 1.080 43.120 42.059 -0.030 0.000 1.197 1058 L HN 0.438 nan 8.230 nan 0.000 0.427 1059 I N 5.500 126.065 120.570 -0.009 0.000 2.312 1059 I HA 0.334 4.504 4.170 -0.000 0.000 0.291 1059 I C 0.193 176.311 176.117 0.001 0.000 1.031 1059 I CA -0.230 61.071 61.300 0.001 0.000 1.293 1059 I CB 0.740 38.744 38.000 0.006 0.000 1.403 1059 I HN 0.453 nan 8.210 nan 0.000 0.484 1060 I N 6.278 126.853 120.570 0.008 0.000 2.406 1060 I HA 0.363 4.533 4.170 -0.000 0.000 0.290 1060 I C 0.126 176.291 176.117 0.080 0.000 0.999 1060 I CA -0.714 60.598 61.300 0.020 0.000 1.124 1060 I CB 2.021 40.002 38.000 -0.031 0.000 1.289 1060 I HN 0.451 nan 8.210 nan 0.000 0.441 1061 K N 7.015 127.490 120.400 0.125 0.000 2.274 1061 K HA 0.505 4.825 4.320 -0.000 0.000 0.262 1061 K C -1.300 175.436 176.600 0.228 0.000 0.961 1061 K CA -0.693 55.678 56.287 0.139 0.000 0.833 1061 K CB 1.775 34.330 32.500 0.091 0.000 1.102 1061 K HN 0.564 nan 8.250 nan 0.000 0.436 1062 L N 5.023 126.352 121.223 0.177 0.000 2.261 1062 L HA 0.179 4.519 4.340 -0.000 0.000 0.289 1062 L C 0.694 177.568 176.870 0.008 0.000 1.059 1062 L CA 0.241 55.121 54.840 0.067 0.000 0.816 1062 L CB 0.698 42.773 42.059 0.027 0.000 1.191 1062 L HN 0.833 nan 8.230 nan 0.000 0.431 1063 E N 1.909 122.101 120.200 -0.013 0.000 2.057 1063 E HA 0.062 4.412 4.350 -0.000 0.000 0.190 1063 E C 0.104 176.669 176.600 -0.058 0.000 0.969 1063 E CA 0.502 56.894 56.400 -0.013 0.000 0.812 1063 E CB 0.455 30.166 29.700 0.018 0.000 0.777 1063 E HN 0.603 nan 8.360 nan 0.000 0.455 1064 T N -0.587 113.922 114.554 -0.076 0.000 2.830 1064 T HA 0.491 4.841 4.350 -0.000 0.000 0.322 1064 T C -1.876 172.790 174.700 -0.056 0.000 1.501 1064 T CA -0.696 61.346 62.100 -0.097 0.000 1.036 1064 T CB 0.971 69.724 68.868 -0.192 0.000 1.379 1064 T HN -0.008 nan 8.240 nan 0.000 0.493 1065 I N 3.135 123.678 120.570 -0.046 0.000 2.474 1065 I HA 0.504 4.674 4.170 -0.000 0.000 0.294 1065 I C 0.697 176.824 176.117 0.015 0.000 1.005 1065 I CA -0.841 60.454 61.300 -0.008 0.000 1.113 1065 I CB 2.250 40.234 38.000 -0.027 0.000 1.289 1065 I HN 0.748 nan 8.210 nan 0.000 0.436 1066 S N 4.292 120.036 115.700 0.074 0.000 2.681 1066 S HA 0.408 4.878 4.470 -0.000 0.000 0.270 1066 S C -0.016 174.610 174.600 0.043 0.000 1.209 1066 S CA -0.805 57.437 58.200 0.070 0.000 0.988 1066 S CB 1.135 64.430 63.200 0.159 0.000 1.006 1066 S HN 0.489 nan 8.310 nan 0.000 0.558 1067 E N 1.563 121.780 120.200 0.029 0.000 2.404 1067 E HA 0.291 4.641 4.350 -0.000 0.000 0.261 1067 E C -2.346 174.273 176.600 0.031 0.000 1.074 1067 E CA -1.677 54.731 56.400 0.012 0.000 0.917 1067 E CB -0.100 29.595 29.700 -0.009 0.000 0.965 1067 E HN 0.468 nan 8.360 nan 0.000 0.433 1068 P HA 0.029 nan 4.420 nan 0.000 0.275 1068 P C -0.514 176.801 177.300 0.025 0.000 1.227 1068 P CA -0.335 62.784 63.100 0.032 0.000 0.781 1068 P CB 0.460 32.175 31.700 0.023 0.000 0.906 1069 D N 1.667 122.087 120.400 0.034 0.000 2.414 1069 D HA -0.057 4.583 4.640 -0.000 0.000 0.251 1069 D C 1.297 177.601 176.300 0.007 0.000 1.252 1069 D CA -0.342 53.669 54.000 0.019 0.000 0.999 1069 D CB 0.162 40.971 40.800 0.015 0.000 1.093 1069 D HN 0.431 nan 8.370 nan 0.000 0.515 1070 E N 0.478 120.676 120.200 -0.002 0.000 2.219 1070 E HA -0.313 4.037 4.350 -0.000 0.000 0.198 1070 E C 0.413 177.011 176.600 -0.004 0.000 0.998 1070 E CA 1.364 57.760 56.400 -0.007 0.000 0.818 1070 E CB -0.844 28.847 29.700 -0.014 0.000 0.741 1070 E HN 0.623 nan 8.360 nan 0.000 0.477 1071 N N 0.157 118.855 118.700 -0.004 0.000 2.322 1071 N HA 0.173 4.912 4.740 -0.000 0.000 0.194 1071 N C 0.717 176.233 175.510 0.010 0.000 1.126 1071 N CA 0.370 53.419 53.050 -0.002 0.000 0.845 1071 N CB 0.643 39.122 38.487 -0.013 0.000 0.976 1071 N HN 0.398 nan 8.380 nan 0.000 0.475 1072 G N 0.725 109.535 108.800 0.017 0.000 2.153 1072 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.252 1072 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.252 1072 G C -0.446 174.479 174.900 0.042 0.000 0.994 1072 G CA -0.271 44.847 45.100 0.030 0.000 0.698 1072 G HN 0.310 nan 8.290 nan 0.000 0.521 1073 N N 0.581 119.307 118.700 0.043 0.000 2.472 1073 N HA 0.405 5.144 4.740 -0.000 0.000 0.277 1073 N C 0.479 176.052 175.510 0.105 0.000 1.081 1073 N CA -0.017 53.078 53.050 0.075 0.000 0.973 1073 N CB 0.793 39.316 38.487 0.059 0.000 1.105 1073 N HN 0.409 nan 8.380 nan 0.000 0.470 1074 R N 0.551 121.122 120.500 0.118 0.000 2.474 1074 R HA 0.381 4.721 4.340 -0.000 0.000 0.295 1074 R C -0.250 176.136 176.300 0.143 0.000 0.980 1074 R CA -0.505 55.662 56.100 0.112 0.000 0.934 1074 R CB 1.148 31.488 30.300 0.066 0.000 1.101 1074 R HN 0.367 nan 8.270 nan 0.000 0.469 1075 T N 3.901 118.534 114.554 0.132 0.000 2.744 1075 T HA 0.369 4.719 4.350 -0.000 0.000 0.291 1075 T C 0.361 175.041 174.700 -0.035 0.000 0.957 1075 T CA -0.366 61.734 62.100 0.000 0.000 1.002 1075 T CB 0.453 69.354 68.868 0.055 0.000 0.919 1075 T HN 0.302 nan 8.240 nan 0.000 0.468 1076 I N 3.822 124.275 120.570 -0.194 0.000 2.321 1076 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 1076 I C -0.684 175.259 176.117 -0.291 0.000 0.998 1076 I CA -0.903 60.260 61.300 -0.229 0.000 1.227 1076 I CB 0.791 38.551 38.000 -0.399 0.000 1.368 1076 I HN 0.566 nan 8.210 nan 0.000 0.466 1077 Y N 6.418 126.544 120.300 -0.290 0.000 2.425 1077 Y HA 0.347 4.897 4.550 -0.000 0.000 0.347 1077 Y C -0.283 175.491 175.900 -0.211 0.000 0.976 1077 Y CA -0.231 57.761 58.100 -0.180 0.000 1.190 1077 Y CB 0.148 38.546 38.460 -0.102 0.000 1.136 1077 Y HN 0.362 nan 8.280 nan 0.000 0.517 1078 Y N 0.935 121.269 120.300 0.056 0.000 2.567 1078 Y HA 0.784 5.334 4.550 -0.000 0.000 0.333 1078 Y C -0.100 175.823 175.900 0.037 0.000 1.106 1078 Y CA -1.451 56.671 58.100 0.038 0.000 1.157 1078 Y CB 1.850 40.311 38.460 0.002 0.000 1.277 1078 Y HN 0.520 nan 8.280 nan 0.000 0.490 1079 A N 2.890 125.854 122.820 0.240 0.000 2.343 1079 A HA 0.765 5.085 4.320 -0.000 0.000 0.316 1079 A C -1.229 176.407 177.584 0.087 0.000 1.104 1079 A CA -0.699 51.416 52.037 0.130 0.000 0.768 1079 A CB 1.133 20.192 19.000 0.097 0.000 1.213 1079 A HN 0.784 nan 8.150 nan 0.000 0.456 1080 M N 3.369 122.992 119.600 0.039 0.000 2.149 1080 M HA 0.359 4.839 4.480 -0.000 0.000 0.273 1080 M C -0.867 175.431 176.300 -0.003 0.000 0.972 1080 M CA -0.161 55.136 55.300 -0.005 0.000 0.984 1080 M CB 0.902 33.467 32.600 -0.057 0.000 1.699 1080 M HN 0.758 nan 8.290 nan 0.000 0.462 1081 N N 3.574 122.274 118.700 -0.001 0.000 2.725 1081 N HA -0.178 4.562 4.740 -0.000 0.000 0.251 1081 N C 0.575 176.088 175.510 0.006 0.000 1.031 1081 N CA 1.847 54.897 53.050 -0.001 0.000 0.720 1081 N CB -1.500 36.981 38.487 -0.009 0.000 0.930 1081 N HN 1.240 nan 8.380 nan 0.000 0.543 1082 G N -1.117 107.692 108.800 0.015 0.000 2.143 1082 G HA2 -0.324 3.636 3.960 -0.000 0.000 0.248 1082 G HA3 -0.324 3.636 3.960 -0.000 0.000 0.248 1082 G C -0.238 174.675 174.900 0.023 0.000 0.991 1082 G CA 0.528 45.640 45.100 0.019 0.000 0.689 1082 G HN 0.566 nan 8.290 nan 0.000 0.522 1083 Q N -0.422 119.392 119.800 0.024 0.000 2.292 1083 Q HA 0.643 4.983 4.340 -0.000 0.000 0.270 1083 Q C 0.204 176.230 176.000 0.043 0.000 1.024 1083 Q CA -0.246 55.574 55.803 0.028 0.000 0.768 1083 Q CB 2.053 30.798 28.738 0.012 0.000 1.250 1083 Q HN 0.810 nan 8.270 nan 0.000 0.447 1084 A N 2.694 125.547 122.820 0.056 0.000 2.540 1084 A HA 0.370 4.690 4.320 -0.000 0.000 0.239 1084 A C -0.136 177.482 177.584 0.056 0.000 1.061 1084 A CA 0.500 52.579 52.037 0.071 0.000 0.758 1084 A CB 0.243 19.290 19.000 0.078 0.000 0.991 1084 A HN 0.657 nan 8.150 nan 0.000 0.502 1085 R N 0.562 121.100 120.500 0.063 0.000 2.548 1085 R HA 0.472 4.812 4.340 -0.000 0.000 0.280 1085 R C -1.238 175.057 176.300 -0.008 0.000 1.061 1085 R CA -0.281 55.843 56.100 0.040 0.000 0.915 1085 R CB 1.468 31.806 30.300 0.062 0.000 1.210 1085 R HN 0.828 nan 8.270 nan 0.000 0.442 1086 R N 4.754 125.180 120.500 -0.123 0.000 2.439 1086 R HA 0.549 4.889 4.340 -0.000 0.000 0.310 1086 R C -0.617 175.441 176.300 -0.404 0.000 0.955 1086 R CA -0.853 55.038 56.100 -0.347 0.000 0.853 1086 R CB 1.480 31.486 30.300 -0.489 0.000 1.171 1086 R HN 0.341 nan 8.270 nan 0.000 0.449 1087 I N 3.482 123.812 120.570 -0.399 0.000 2.569 1087 I HA 0.338 4.508 4.170 -0.000 0.000 0.296 1087 I C -0.585 175.245 176.117 -0.478 0.000 1.028 1087 I CA -1.091 60.026 61.300 -0.304 0.000 1.082 1087 I CB 1.712 39.754 38.000 0.070 0.000 1.264 1087 I HN 0.533 nan 8.210 nan 0.000 0.429 1088 Y N 5.651 125.970 120.300 0.031 0.000 2.331 1088 Y HA 0.559 5.109 4.550 -0.000 0.000 0.338 1088 Y C -0.072 175.851 175.900 0.039 0.000 0.976 1088 Y CA -0.676 57.436 58.100 0.021 0.000 1.137 1088 Y CB 1.581 40.046 38.460 0.009 0.000 1.172 1088 Y HN 0.299 nan 8.280 nan 0.000 0.478 1089 I N 3.365 124.031 120.570 0.160 0.000 2.465 1089 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 1089 I C -0.462 175.715 176.117 0.099 0.000 1.014 1089 I CA -0.973 60.395 61.300 0.113 0.000 1.093 1089 I CB 1.883 39.927 38.000 0.073 0.000 1.267 1089 I HN 0.429 nan 8.210 nan 0.000 0.431 1090 K N 5.302 125.752 120.400 0.082 0.000 2.349 1090 K HA 0.088 4.408 4.320 -0.000 0.000 0.288 1090 K C -0.185 176.445 176.600 0.049 0.000 1.058 1090 K CA -0.230 56.093 56.287 0.061 0.000 0.953 1090 K CB 0.424 32.953 32.500 0.048 0.000 0.997 1090 K HN 0.466 nan 8.250 nan 0.000 0.477 1091 D N 4.481 124.910 120.400 0.048 0.000 2.401 1091 D HA -0.039 4.601 4.640 -0.000 0.000 0.254 1091 D C -0.749 175.573 176.300 0.036 0.000 1.192 1091 D CA 0.199 54.225 54.000 0.043 0.000 0.885 1091 D CB 0.615 41.448 40.800 0.054 0.000 1.147 1091 D HN 0.583 nan 8.370 nan 0.000 0.478 1092 E N 2.986 123.202 120.200 0.026 0.000 2.029 1092 E HA -0.022 4.328 4.350 -0.000 0.000 0.276 1092 E C 0.389 176.999 176.600 0.017 0.000 1.163 1092 E CA -0.243 56.168 56.400 0.019 0.000 0.909 1092 E CB 0.062 29.768 29.700 0.009 0.000 1.046 1092 E HN 0.403 nan 8.360 nan 0.000 0.406 1093 N N 2.801 121.514 118.700 0.022 0.000 2.704 1093 N HA -0.237 4.503 4.740 -0.000 0.000 0.259 1093 N C 0.161 175.677 175.510 0.010 0.000 0.957 1093 N CA 0.343 53.405 53.050 0.020 0.000 0.804 1093 N CB -0.555 37.939 38.487 0.011 0.000 0.917 1093 N HN 0.291 nan 8.380 nan 0.000 0.545 1094 V N -0.414 119.512 119.914 0.020 0.000 2.273 1094 V HA -0.124 3.996 4.120 -0.000 0.000 0.242 1094 V C 1.996 178.044 176.094 -0.075 0.000 1.035 1094 V CA 1.602 63.887 62.300 -0.024 0.000 1.013 1094 V CB -0.408 31.411 31.823 -0.007 0.000 0.652 1094 V HN 0.599 nan 8.190 nan 0.000 0.452 1095 H N -0.533 118.540 119.070 0.005 0.000 2.451 1095 H HA 0.043 4.599 4.556 -0.000 0.000 0.294 1095 H C 1.830 177.160 175.328 0.004 0.000 1.028 1095 H CA 1.353 57.403 56.048 0.004 0.000 1.349 1095 H CB 0.618 30.384 29.762 0.005 0.000 1.444 1095 H HN 0.521 nan 8.280 nan 0.000 0.538 1096 T N -0.158 114.468 114.554 0.121 0.000 10.012 1096 T HA -0.293 4.057 4.350 -0.000 0.000 0.364 1096 T C 1.064 175.802 174.700 0.063 0.000 1.801 1096 T CA 1.960 64.101 62.100 0.068 0.000 2.812 1096 T CB -1.484 67.409 68.868 0.041 0.000 2.543 1096 T HN 0.735 nan 8.240 nan 0.000 1.030 1097 N N -0.029 118.722 118.700 0.085 0.000 2.149 1097 N HA 0.454 5.194 4.740 -0.000 0.000 0.229 1097 N C 1.198 176.715 175.510 0.012 0.000 1.284 1097 N CA 0.354 53.431 53.050 0.046 0.000 0.864 1097 N CB 0.049 38.562 38.487 0.043 0.000 1.169 1097 N HN 0.397 nan 8.380 nan 0.000 0.478 1098 A N 0.478 123.291 122.820 -0.012 0.000 2.150 1098 A HA 0.119 4.439 4.320 -0.000 0.000 0.220 1098 A C -0.332 177.180 177.584 -0.121 0.000 1.356 1098 A CA -0.196 51.740 52.037 -0.169 0.000 1.145 1098 A CB -0.970 17.656 19.000 -0.623 0.000 0.826 1098 A HN 0.375 nan 8.150 nan 0.000 0.524 1099 N N -0.217 118.455 118.700 -0.046 0.000 2.529 1099 N HA 0.323 5.063 4.740 -0.000 0.000 0.278 1099 N C -0.527 174.968 175.510 -0.026 0.000 1.146 1099 N CA -0.240 52.794 53.050 -0.026 0.000 0.980 1099 N CB 1.464 39.948 38.487 -0.005 0.000 1.124 1099 N HN -0.026 nan 8.380 nan 0.000 0.458 1100 V N 3.388 123.291 119.914 -0.019 0.000 2.368 1100 V HA 0.103 4.223 4.120 -0.000 0.000 0.266 1100 V C 0.535 176.625 176.094 -0.006 0.000 1.045 1100 V CA -0.693 61.600 62.300 -0.013 0.000 0.899 1100 V CB -0.008 31.811 31.823 -0.007 0.000 1.006 1100 V HN 0.416 nan 8.190 nan 0.000 0.470 1101 K N 5.626 126.021 120.400 -0.009 0.000 2.295 1101 K HA 0.380 4.700 4.320 -0.000 0.000 0.270 1101 K C -2.405 174.192 176.600 -0.005 0.000 1.011 1101 K CA -1.823 54.458 56.287 -0.011 0.000 0.953 1101 K CB 0.289 32.779 32.500 -0.016 0.000 0.956 1101 K HN 0.313 nan 8.250 nan 0.000 0.477 1102 P HA 0.115 nan 4.420 nan 0.000 0.272 1102 P C -0.425 176.878 177.300 0.006 0.000 1.240 1102 P CA -0.285 62.819 63.100 0.006 0.000 0.791 1102 P CB 0.476 32.178 31.700 0.003 0.000 0.978 1103 K N 0.905 121.321 120.400 0.028 0.000 2.205 1103 K HA 0.478 4.798 4.320 -0.000 0.000 0.279 1103 K C 0.027 176.669 176.600 0.070 0.000 1.027 1103 K CA -0.409 55.901 56.287 0.038 0.000 0.932 1103 K CB 1.000 33.525 32.500 0.042 0.000 1.032 1103 K HN 0.526 nan 8.250 nan 0.000 0.466 1104 A N 2.603 125.465 122.820 0.070 0.000 2.511 1104 A HA -0.025 4.295 4.320 -0.000 0.000 0.242 1104 A C 0.145 177.860 177.584 0.220 0.000 1.069 1104 A CA -0.118 52.012 52.037 0.156 0.000 0.763 1104 A CB 0.004 19.066 19.000 0.103 0.000 1.001 1104 A HN 0.642 nan 8.150 nan 0.000 0.498 1105 D N 1.849 122.481 120.400 0.387 0.000 2.346 1105 D HA 0.096 4.736 4.640 -0.000 0.000 0.260 1105 D C 0.853 177.197 176.300 0.074 0.000 1.252 1105 D CA 0.198 54.273 54.000 0.123 0.000 0.895 1105 D CB 0.587 41.337 40.800 -0.084 0.000 1.097 1105 D HN 0.515 nan 8.370 nan 0.000 0.489 1106 K N 1.474 121.910 120.400 0.059 0.000 2.504 1106 K HA 0.006 4.326 4.320 -0.000 0.000 0.195 1106 K C 1.351 177.967 176.600 0.028 0.000 1.036 1106 K CA 0.339 56.655 56.287 0.049 0.000 0.984 1106 K CB 0.330 32.855 32.500 0.042 0.000 0.788 1106 K HN 0.193 nan 8.250 nan 0.000 0.488 1107 S N 0.744 116.447 115.700 0.006 0.000 2.524 1107 S HA -0.000 4.470 4.470 -0.000 0.000 0.216 1107 S C 0.447 175.034 174.600 -0.023 0.000 0.987 1107 S CA -0.162 58.035 58.200 -0.004 0.000 0.909 1107 S CB -0.012 63.184 63.200 -0.007 0.000 0.781 1107 S HN 0.241 nan 8.310 nan 0.000 0.521 1108 N N 2.757 121.419 118.700 -0.064 0.000 2.420 1108 N HA 0.236 4.976 4.740 -0.000 0.000 0.249 1108 N C -1.825 173.691 175.510 0.010 0.000 1.033 1108 N CA -2.197 50.789 53.050 -0.106 0.000 0.944 1108 N CB 1.355 39.604 38.487 -0.397 0.000 1.113 1108 N HN -0.027 nan 8.380 nan 0.000 0.502 1109 P HA -0.115 nan 4.420 nan 0.000 0.222 1109 P C 0.804 178.271 177.300 0.277 0.000 1.147 1109 P CA 0.945 64.144 63.100 0.165 0.000 0.790 1109 P CB 0.232 32.025 31.700 0.156 0.000 0.780 1110 S N -2.291 113.558 115.700 0.247 0.000 2.436 1110 S HA -0.067 4.402 4.470 -0.000 0.000 0.228 1110 S C 0.925 175.714 174.600 0.315 0.000 1.014 1110 S CA 0.103 58.501 58.200 0.330 0.000 0.950 1110 S CB -1.230 62.136 63.200 0.276 0.000 0.784 1110 S HN 0.148 nan 8.310 nan 0.000 0.504 1111 H N 1.613 120.734 119.070 0.085 0.000 2.767 1111 H HA 0.474 5.030 4.556 -0.000 0.000 0.316 1111 H C -0.272 175.070 175.328 0.024 0.000 1.059 1111 H CA -0.951 55.127 56.048 0.049 0.000 1.461 1111 H CB 0.153 29.942 29.762 0.046 0.000 1.475 1111 H HN 0.348 nan 8.280 nan 0.000 0.531 1112 I N 2.932 123.541 120.570 0.066 0.000 2.362 1112 I HA 0.366 4.536 4.170 -0.000 0.000 0.289 1112 I C 1.027 177.146 176.117 0.004 0.000 0.994 1112 I CA -0.653 60.657 61.300 0.018 0.000 1.158 1112 I CB 1.757 39.740 38.000 -0.028 0.000 1.315 1112 I HN 0.550 nan 8.210 nan 0.000 0.451 1113 G N 3.868 112.679 108.800 0.019 0.000 2.441 1113 G HA2 0.670 4.630 3.960 -0.000 0.000 0.334 1113 G HA3 0.670 4.630 3.960 -0.000 0.000 0.334 1113 G C -0.464 174.437 174.900 0.002 0.000 1.161 1113 G CA -0.679 44.428 45.100 0.012 0.000 0.935 1113 G HN 0.754 nan 8.290 nan 0.000 0.488 1114 A N 0.536 123.355 122.820 -0.001 0.000 2.488 1114 A HA 0.355 4.675 4.320 -0.000 0.000 0.249 1114 A C 1.286 178.871 177.584 0.002 0.000 1.083 1114 A CA -0.145 51.891 52.037 -0.003 0.000 0.768 1114 A CB 0.555 19.553 19.000 -0.004 0.000 1.017 1114 A HN 0.583 nan 8.150 nan 0.000 0.496 1115 Q N 1.052 120.852 119.800 -0.000 0.000 2.137 1115 Q HA 0.072 4.412 4.340 -0.000 0.000 0.198 1115 Q C 0.165 176.166 176.000 0.002 0.000 0.960 1115 Q CA 1.364 57.168 55.803 0.002 0.000 0.847 1115 Q CB -0.158 28.580 28.738 0.000 0.000 0.915 1115 Q HN 0.869 nan 8.270 nan 0.000 0.448 1116 M N -0.261 119.339 119.600 0.001 0.000 2.667 1116 M HA 0.410 4.890 4.480 -0.000 0.000 0.286 1116 M C -2.466 173.834 176.300 0.000 0.000 1.270 1116 M CA -2.153 53.148 55.300 0.001 0.000 0.826 1116 M CB 2.295 34.896 32.600 0.001 0.000 1.743 1116 M HN -0.264 nan 8.290 nan 0.000 0.460 1117 P HA 0.490 nan 4.420 nan 0.000 0.275 1117 P C -0.570 176.730 177.300 -0.000 0.000 1.228 1117 P CA 0.140 63.240 63.100 -0.000 0.000 0.786 1117 P CB 1.027 32.728 31.700 0.000 0.000 0.927 1118 G N 0.368 109.167 108.800 -0.001 0.000 2.393 1118 G HA2 0.428 4.388 3.960 -0.000 0.000 0.264 1118 G HA3 0.428 4.388 3.960 -0.000 0.000 0.264 1118 G C -1.558 173.342 174.900 -0.000 0.000 1.221 1118 G CA -0.293 44.807 45.100 -0.000 0.000 0.912 1118 G HN 0.466 nan 8.290 nan 0.000 0.483 1119 S N -1.388 114.312 115.700 -0.000 0.000 2.570 1119 S HA 0.639 5.109 4.470 -0.000 0.000 0.286 1119 S C -0.501 174.098 174.600 -0.001 0.000 1.099 1119 S CA -0.413 57.787 58.200 0.001 0.000 0.913 1119 S CB 1.929 65.131 63.200 0.003 0.000 1.085 1119 S HN 0.777 nan 8.310 nan 0.000 0.480 1120 V N 3.235 123.149 119.914 -0.001 0.000 2.408 1120 V HA 0.201 4.321 4.120 -0.000 0.000 0.267 1120 V C 1.058 177.151 176.094 -0.001 0.000 1.047 1120 V CA 0.116 62.415 62.300 -0.002 0.000 0.937 1120 V CB 0.717 32.538 31.823 -0.003 0.000 0.999 1120 V HN 1.029 nan 8.190 nan 0.000 0.472 1121 T N 3.216 117.769 114.554 -0.001 0.000 2.781 1121 T HA 0.040 4.390 4.350 -0.000 0.000 0.252 1121 T C 0.605 175.304 174.700 -0.001 0.000 1.039 1121 T CA 0.833 62.933 62.100 -0.001 0.000 1.147 1121 T CB 0.163 69.031 68.868 -0.001 0.000 0.865 1121 T HN 0.699 nan 8.240 nan 0.000 0.423 1122 E N 0.856 121.055 120.200 -0.002 0.000 2.287 1122 E HA 0.396 4.746 4.350 -0.000 0.000 0.274 1122 E C -1.742 174.855 176.600 -0.004 0.000 0.896 1122 E CA -0.310 56.089 56.400 -0.002 0.000 0.788 1122 E CB 2.342 32.041 29.700 -0.002 0.000 1.244 1122 E HN 0.043 nan 8.360 nan 0.000 0.408 1123 V N 5.741 125.652 119.914 -0.004 0.000 2.455 1123 V HA 0.243 4.363 4.120 -0.000 0.000 0.273 1123 V C 0.377 176.469 176.094 -0.004 0.000 1.045 1123 V CA 0.383 62.679 62.300 -0.005 0.000 0.976 1123 V CB 0.921 32.741 31.823 -0.005 0.000 0.993 1123 V HN 0.729 nan 8.190 nan 0.000 0.475 1124 K N 4.647 125.044 120.400 -0.005 0.000 2.354 1124 K HA 0.218 4.538 4.320 -0.000 0.000 0.194 1124 K C 0.108 176.706 176.600 -0.003 0.000 1.038 1124 K CA 0.607 56.892 56.287 -0.004 0.000 1.052 1124 K CB 1.038 33.535 32.500 -0.005 0.000 0.861 1124 K HN 0.713 nan 8.250 nan 0.000 0.535 1125 V N -1.611 118.300 119.914 -0.004 0.000 3.126 1125 V HA 0.651 4.771 4.120 -0.000 0.000 0.314 1125 V C -0.481 175.613 176.094 -0.001 0.000 1.138 1125 V CA -0.948 61.351 62.300 -0.001 0.000 1.034 1125 V CB 1.882 33.703 31.823 -0.002 0.000 1.075 1125 V HN 0.109 nan 8.190 nan 0.000 0.442 1126 S N -0.577 115.125 115.700 0.002 0.000 2.627 1126 S HA 0.730 5.200 4.470 -0.000 0.000 0.283 1126 S C -0.587 174.016 174.600 0.006 0.000 1.127 1126 S CA -0.839 57.363 58.200 0.003 0.000 0.863 1126 S CB 1.372 64.574 63.200 0.003 0.000 1.121 1126 S HN 1.162 nan 8.310 nan 0.000 0.479 1127 V N 2.024 121.941 119.914 0.005 0.000 2.539 1127 V HA 0.409 4.529 4.120 -0.000 0.000 0.300 1127 V C 1.603 177.704 176.094 0.011 0.000 1.019 1127 V CA 1.882 64.187 62.300 0.008 0.000 1.160 1127 V CB -0.361 31.465 31.823 0.005 0.000 0.901 1127 V HN 1.610 nan 8.190 nan 0.000 0.481 1128 G N 3.528 112.338 108.800 0.017 0.000 2.259 1128 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 1128 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 1128 G C 0.272 175.185 174.900 0.021 0.000 1.001 1128 G CA 0.161 45.272 45.100 0.018 0.000 0.627 1128 G HN 0.702 nan 8.290 nan 0.000 0.501 1129 E N 1.454 121.665 120.200 0.019 0.000 2.392 1129 E HA 0.425 4.775 4.350 -0.000 0.000 0.264 1129 E C -0.182 176.434 176.600 0.027 0.000 1.024 1129 E CA 0.343 56.755 56.400 0.019 0.000 0.903 1129 E CB 0.343 30.052 29.700 0.014 0.000 0.963 1129 E HN 0.173 nan 8.360 nan 0.000 0.432 1130 T N 3.320 117.890 114.554 0.027 0.000 2.806 1130 T HA 0.374 4.724 4.350 -0.000 0.000 0.290 1130 T C -0.400 174.319 174.700 0.032 0.000 0.966 1130 T CA -0.702 61.419 62.100 0.035 0.000 1.060 1130 T CB 0.902 69.789 68.868 0.032 0.000 0.927 1130 T HN 0.376 nan 8.240 nan 0.000 0.485 1131 V N 0.923 120.862 119.914 0.041 0.000 3.001 1131 V HA 0.730 4.850 4.120 -0.000 0.000 0.314 1131 V C -0.498 175.622 176.094 0.044 0.000 1.099 1131 V CA -1.255 61.065 62.300 0.033 0.000 0.989 1131 V CB 2.044 33.878 31.823 0.019 0.000 1.040 1131 V HN 0.707 nan 8.190 nan 0.000 0.434 1132 K N 1.455 121.875 120.400 0.032 0.000 2.123 1132 K HA 0.810 5.130 4.320 -0.000 0.000 0.248 1132 K C 0.143 176.761 176.600 0.029 0.000 0.969 1132 K CA -0.338 55.972 56.287 0.038 0.000 0.882 1132 K CB 1.840 34.357 32.500 0.028 0.000 1.080 1132 K HN 1.200 nan 8.250 nan 0.000 0.441 1133 A N 2.557 125.403 122.820 0.042 0.000 2.540 1133 A HA 0.065 4.385 4.320 -0.000 0.000 0.239 1133 A C 0.208 177.794 177.584 0.003 0.000 1.061 1133 A CA 0.272 52.324 52.037 0.026 0.000 0.758 1133 A CB -0.163 18.871 19.000 0.057 0.000 0.991 1133 A HN 1.012 nan 8.150 nan 0.000 0.502 1134 N N -0.911 117.776 118.700 -0.021 0.000 2.965 1134 N HA -0.164 4.576 4.740 -0.000 0.000 0.232 1134 N C 0.251 175.750 175.510 -0.019 0.000 0.913 1134 N CA 1.581 54.618 53.050 -0.020 0.000 0.981 1134 N CB -1.252 37.231 38.487 -0.007 0.000 1.077 1134 N HN 0.973 nan 8.380 nan 0.000 0.589 1135 Q N 2.474 122.264 119.800 -0.017 0.000 2.300 1135 Q HA 0.120 4.460 4.340 -0.000 0.000 0.280 1135 Q C -2.212 173.775 176.000 -0.020 0.000 1.033 1135 Q CA -0.987 54.808 55.803 -0.013 0.000 0.903 1135 Q CB 0.679 29.413 28.738 -0.007 0.000 1.195 1135 Q HN 0.091 nan 8.270 nan 0.000 0.386 1136 P HA -0.096 nan 4.420 nan 0.000 0.262 1136 P C -0.352 176.937 177.300 -0.017 0.000 1.199 1136 P CA 0.751 63.841 63.100 -0.016 0.000 0.763 1136 P CB 0.544 32.237 31.700 -0.010 0.000 0.790 1137 L N 2.355 123.564 121.223 -0.023 0.000 2.349 1137 L HA 0.221 4.561 4.340 -0.000 0.000 0.200 1137 L C 0.614 177.474 176.870 -0.017 0.000 1.064 1137 L CA 0.593 55.420 54.840 -0.022 0.000 0.821 1137 L CB -0.136 41.904 42.059 -0.031 0.000 1.027 1137 L HN 0.245 nan 8.230 nan 0.000 0.476 1138 L N -0.234 120.978 121.223 -0.018 0.000 2.409 1138 L HA 0.519 4.859 4.340 -0.000 0.000 0.262 1138 L C -0.783 176.080 176.870 -0.013 0.000 0.992 1138 L CA -0.422 54.410 54.840 -0.015 0.000 0.817 1138 L CB 2.373 44.422 42.059 -0.017 0.000 1.350 1138 L HN -0.117 nan 8.230 nan 0.000 0.411 1139 I N 1.553 122.118 120.570 -0.009 0.000 2.362 1139 I HA 0.492 4.661 4.170 -0.000 0.000 0.289 1139 I C -0.129 175.984 176.117 -0.006 0.000 0.994 1139 I CA -0.336 60.960 61.300 -0.008 0.000 1.158 1139 I CB 1.904 39.900 38.000 -0.005 0.000 1.315 1139 I HN 0.663 nan 8.210 nan 0.000 0.451 1140 T N 1.450 116.000 114.554 -0.007 0.000 2.940 1140 T HA 0.522 4.872 4.350 -0.000 0.000 0.288 1140 T C -0.607 174.091 174.700 -0.004 0.000 1.033 1140 T CA -0.857 61.240 62.100 -0.005 0.000 1.033 1140 T CB 2.260 71.124 68.868 -0.007 0.000 1.079 1140 T HN 0.578 nan 8.240 nan 0.000 0.496 1141 E N 0.391 120.590 120.200 -0.002 0.000 2.155 1141 E HA 0.597 4.947 4.350 -0.000 0.000 0.264 1141 E C 0.496 177.095 176.600 -0.001 0.000 0.886 1141 E CA -0.895 55.504 56.400 -0.001 0.000 0.752 1141 E CB 1.261 30.961 29.700 -0.000 0.000 1.133 1141 E HN 0.806 nan 8.360 nan 0.000 0.414 1142 A N 5.266 128.086 122.820 -0.001 0.000 2.260 1142 A HA 0.132 4.452 4.320 -0.000 0.000 0.208 1142 A C 0.784 178.368 177.584 0.000 0.000 1.588 1142 A CA 0.602 52.639 52.037 -0.000 0.000 0.600 1142 A CB 0.034 19.034 19.000 -0.001 0.000 1.142 1142 A HN 0.730 nan 8.150 nan 0.000 0.494 1143 M N -1.727 117.873 119.600 0.001 0.000 2.066 1143 M HA 0.464 4.944 4.480 -0.000 0.000 0.264 1143 M C -0.745 175.556 176.300 0.001 0.000 0.886 1143 M CA -0.375 54.926 55.300 0.001 0.000 0.810 1143 M CB 1.069 33.670 32.600 0.001 0.000 1.451 1143 M HN 0.509 nan 8.290 nan 0.000 0.373 1144 K N -0.219 120.181 120.400 0.001 0.000 3.407 1144 K HA -0.107 4.213 4.320 -0.000 0.000 0.312 1144 K C -0.666 175.934 176.600 0.000 0.000 1.302 1144 K CA 1.023 57.311 56.287 0.001 0.000 0.931 1144 K CB -1.089 31.412 32.500 0.001 0.000 1.257 1144 K HN 0.609 nan 8.250 nan 0.000 0.454 1145 M N 1.150 120.750 119.600 0.000 0.000 2.253 1145 M HA 0.265 4.745 4.480 -0.000 0.000 0.314 1145 M C -0.143 176.157 176.300 -0.001 0.000 1.019 1145 M CA -0.193 55.107 55.300 -0.000 0.000 0.932 1145 M CB 1.636 34.236 32.600 -0.000 0.000 1.606 1145 M HN -0.001 nan 8.290 nan 0.000 0.430 1146 E N 1.709 121.908 120.200 -0.001 0.000 2.259 1146 E HA 0.391 4.741 4.350 -0.000 0.000 0.281 1146 E C -0.588 176.010 176.600 -0.003 0.000 1.027 1146 E CA 0.020 56.419 56.400 -0.002 0.000 0.838 1146 E CB 1.242 30.941 29.700 -0.002 0.000 1.066 1146 E HN 0.459 nan 8.360 nan 0.000 0.401 1147 T N 1.729 116.280 114.554 -0.004 0.000 2.848 1147 T HA 0.266 4.616 4.350 -0.000 0.000 0.285 1147 T C -0.280 174.415 174.700 -0.008 0.000 0.995 1147 T CA -0.812 61.285 62.100 -0.006 0.000 0.970 1147 T CB 1.502 70.366 68.868 -0.006 0.000 0.976 1147 T HN 0.481 nan 8.240 nan 0.000 0.441 1148 T N 1.727 116.275 114.554 -0.009 0.000 2.767 1148 T HA 0.666 5.016 4.350 -0.000 0.000 0.284 1148 T C -0.081 174.609 174.700 -0.017 0.000 0.973 1148 T CA -0.714 61.379 62.100 -0.012 0.000 0.996 1148 T CB -0.065 68.796 68.868 -0.011 0.000 0.927 1148 T HN 0.448 nan 8.240 nan 0.000 0.456 1149 I N 3.879 124.437 120.570 -0.020 0.000 2.395 1149 I HA 0.277 4.447 4.170 -0.000 0.000 0.289 1149 I C 0.740 176.835 176.117 -0.037 0.000 1.023 1149 I CA -0.342 60.941 61.300 -0.029 0.000 1.350 1149 I CB 1.105 39.087 38.000 -0.029 0.000 1.409 1149 I HN 0.639 nan 8.210 nan 0.000 0.507 1150 Q N 4.429 124.201 119.800 -0.048 0.000 2.297 1150 Q HA 0.687 5.027 4.340 -0.000 0.000 0.269 1150 Q C -0.516 175.427 176.000 -0.093 0.000 1.051 1150 Q CA -1.163 54.606 55.803 -0.056 0.000 0.869 1150 Q CB 1.985 30.695 28.738 -0.046 0.000 1.346 1150 Q HN 0.735 nan 8.270 nan 0.000 0.457 1151 A N 2.315 125.074 122.820 -0.101 0.000 2.454 1151 A HA 0.189 4.509 4.320 -0.000 0.000 0.260 1151 A C -1.575 175.874 177.584 -0.226 0.000 1.106 1151 A CA -1.027 50.907 52.037 -0.171 0.000 0.780 1151 A CB -0.147 18.787 19.000 -0.111 0.000 1.044 1151 A HN 0.519 nan 8.150 nan 0.000 0.498 1152 P HA -0.030 nan 4.420 nan 0.000 0.219 1152 P C -0.011 177.132 177.300 -0.263 0.000 1.150 1152 P CA 1.338 64.194 63.100 -0.406 0.000 0.814 1152 P CB -0.134 31.186 31.700 -0.633 0.000 0.787 1153 F N -2.237 117.723 119.950 0.017 0.000 2.923 1153 F HA 0.590 5.117 4.527 -0.000 0.000 0.323 1153 F C -0.892 174.917 175.800 0.015 0.000 1.189 1153 F CA -2.171 55.839 58.000 0.015 0.000 0.930 1153 F CB -0.475 38.535 39.000 0.016 0.000 1.414 1153 F HN -0.440 nan 8.300 nan 0.000 0.496 1154 D N -0.128 120.487 120.400 0.359 0.000 2.350 1154 D HA 0.563 5.203 4.640 -0.000 0.000 0.249 1154 D C 0.320 176.806 176.300 0.309 0.000 1.119 1154 D CA 1.106 55.245 54.000 0.233 0.000 0.886 1154 D CB 1.343 42.220 40.800 0.128 0.000 1.195 1154 D HN 1.052 nan 8.370 nan 0.000 0.437 1155 G N -0.319 108.613 108.800 0.220 0.000 2.321 1155 G HA2 0.422 4.382 3.960 -0.000 0.000 0.296 1155 G HA3 0.422 4.382 3.960 -0.000 0.000 0.296 1155 G C -1.427 173.551 174.900 0.131 0.000 1.287 1155 G CA -0.427 44.792 45.100 0.198 0.000 0.846 1155 G HN 0.626 nan 8.290 nan 0.000 0.508 1156 V N -1.678 118.306 119.914 0.117 0.000 2.581 1156 V HA 0.797 4.917 4.120 -0.000 0.000 0.303 1156 V C -0.066 176.075 176.094 0.078 0.000 1.041 1156 V CA -1.146 61.201 62.300 0.079 0.000 0.907 1156 V CB 1.509 33.367 31.823 0.059 0.000 0.994 1156 V HN 0.671 nan 8.190 nan 0.000 0.442 1157 I N 3.735 124.337 120.570 0.052 0.000 2.421 1157 I HA 0.270 4.440 4.170 -0.000 0.000 0.291 1157 I C 1.261 177.401 176.117 0.039 0.000 1.089 1157 I CA 0.498 61.822 61.300 0.041 0.000 1.354 1157 I CB 0.953 38.965 38.000 0.021 0.000 1.413 1157 I HN 0.814 nan 8.210 nan 0.000 0.513 1158 K N 4.845 125.273 120.400 0.047 0.000 2.202 1158 K HA 0.117 4.437 4.320 -0.000 0.000 0.201 1158 K C -0.124 176.490 176.600 0.025 0.000 1.051 1158 K CA 0.736 57.049 56.287 0.043 0.000 0.977 1158 K CB 0.373 32.912 32.500 0.065 0.000 0.792 1158 K HN 0.728 nan 8.250 nan 0.000 0.469 1159 Q N -0.585 119.222 119.800 0.013 0.000 2.309 1159 Q HA 0.410 4.750 4.340 -0.000 0.000 0.273 1159 Q C -1.435 174.554 176.000 -0.018 0.000 1.040 1159 Q CA -0.963 54.836 55.803 -0.007 0.000 0.834 1159 Q CB 2.211 30.939 28.738 -0.017 0.000 1.345 1159 Q HN -0.192 nan 8.270 nan 0.000 0.414 1160 V N 2.831 122.735 119.914 -0.016 0.000 2.328 1160 V HA 0.194 4.314 4.120 -0.000 0.000 0.278 1160 V C 0.531 176.611 176.094 -0.023 0.000 1.021 1160 V CA -0.217 62.071 62.300 -0.020 0.000 0.838 1160 V CB 1.240 33.056 31.823 -0.012 0.000 0.999 1160 V HN 1.044 nan 8.190 nan 0.000 0.447 1161 T N 3.325 117.861 114.554 -0.031 0.000 3.055 1161 T HA 0.048 4.398 4.350 -0.000 0.000 0.265 1161 T C 0.482 175.169 174.700 -0.020 0.000 1.111 1161 T CA 0.805 62.886 62.100 -0.031 0.000 1.118 1161 T CB 0.065 68.906 68.868 -0.045 0.000 0.909 1161 T HN 0.609 nan 8.240 nan 0.000 0.501 1162 V N -0.972 118.932 119.914 -0.017 0.000 3.046 1162 V HA 0.704 4.824 4.120 -0.000 0.000 0.316 1162 V C -0.991 175.100 176.094 -0.006 0.000 1.104 1162 V CA -1.408 60.885 62.300 -0.011 0.000 1.006 1162 V CB 2.202 34.018 31.823 -0.011 0.000 1.058 1162 V HN -0.065 nan 8.190 nan 0.000 0.440 1163 N N 1.289 119.988 118.700 -0.002 0.000 2.265 1163 N HA 0.392 5.132 4.740 -0.000 0.000 0.300 1163 N C -1.013 174.499 175.510 0.002 0.000 1.148 1163 N CA -0.675 52.376 53.050 0.001 0.000 0.772 1163 N CB 1.749 40.239 38.487 0.005 0.000 1.434 1163 N HN 0.844 nan 8.380 nan 0.000 0.481 1164 N N 0.456 119.158 118.700 0.002 0.000 2.294 1164 N HA -0.049 4.691 4.740 -0.000 0.000 0.263 1164 N C 1.198 176.712 175.510 0.006 0.000 1.281 1164 N CA 1.194 54.246 53.050 0.003 0.000 0.846 1164 N CB 0.494 38.983 38.487 0.003 0.000 1.061 1164 N HN 0.869 nan 8.380 nan 0.000 0.478 1165 G N 1.542 110.346 108.800 0.006 0.000 2.194 1165 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.236 1165 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.236 1165 G C -0.273 174.634 174.900 0.011 0.000 0.987 1165 G CA -0.172 44.934 45.100 0.009 0.000 0.635 1165 G HN 0.593 nan 8.290 nan 0.000 0.520 1166 D N 1.676 122.081 120.400 0.009 0.000 2.399 1166 D HA 0.488 5.128 4.640 -0.000 0.000 0.241 1166 D C 1.188 177.490 176.300 0.005 0.000 1.133 1166 D CA 1.096 55.101 54.000 0.008 0.000 0.890 1166 D CB 1.143 41.945 40.800 0.004 0.000 1.201 1166 D HN 0.496 nan 8.370 nan 0.000 0.432 1167 T N -1.265 113.292 114.554 0.004 0.000 2.928 1167 T HA 0.705 5.055 4.350 -0.000 0.000 0.284 1167 T C 0.342 175.040 174.700 -0.004 0.000 1.008 1167 T CA -0.838 61.263 62.100 0.001 0.000 1.057 1167 T CB 0.618 69.487 68.868 0.002 0.000 1.018 1167 T HN 0.412 nan 8.240 nan 0.000 0.493 1168 I N -1.488 119.080 120.570 -0.004 0.000 2.969 1168 I HA 0.900 5.070 4.170 -0.000 0.000 0.307 1168 I C -0.793 175.321 176.117 -0.004 0.000 1.149 1168 I CA -1.818 59.479 61.300 -0.006 0.000 1.008 1168 I CB 1.894 39.891 38.000 -0.007 0.000 1.232 1168 I HN 0.918 nan 8.210 nan 0.000 0.435 1169 A N 1.934 124.752 122.820 -0.004 0.000 2.384 1169 A HA 0.741 5.061 4.320 -0.000 0.000 0.312 1169 A C -0.133 177.451 177.584 0.001 0.000 1.113 1169 A CA -0.715 51.321 52.037 -0.001 0.000 0.779 1169 A CB 1.243 20.242 19.000 -0.002 0.000 1.307 1169 A HN 0.766 nan 8.150 nan 0.000 0.436 1170 T N 1.182 115.737 114.554 0.002 0.000 2.849 1170 T HA 0.363 4.713 4.350 -0.000 0.000 0.289 1170 T C 1.480 176.184 174.700 0.008 0.000 1.010 1170 T CA 2.030 64.133 62.100 0.005 0.000 1.161 1170 T CB 0.088 68.960 68.868 0.006 0.000 0.989 1170 T HN 2.169 nan 8.240 nan 0.000 0.523 1171 G N 3.249 112.055 108.800 0.011 0.000 2.213 1171 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.236 1171 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.236 1171 G C -0.110 174.799 174.900 0.016 0.000 0.991 1171 G CA -0.236 44.874 45.100 0.017 0.000 0.629 1171 G HN 0.696 nan 8.290 nan 0.000 0.517 1172 D N 0.523 120.926 120.400 0.005 0.000 2.488 1172 D HA 0.362 5.002 4.640 -0.000 0.000 0.238 1172 D C 0.758 177.050 176.300 -0.013 0.000 1.138 1172 D CA -0.157 53.841 54.000 -0.003 0.000 0.873 1172 D CB 1.142 41.937 40.800 -0.008 0.000 1.183 1172 D HN 0.392 nan 8.370 nan 0.000 0.458 1173 L N 3.144 124.349 121.223 -0.030 0.000 2.367 1173 L HA 0.124 4.463 4.340 -0.000 0.000 0.275 1173 L C 0.216 177.044 176.870 -0.070 0.000 1.129 1173 L CA 0.353 55.149 54.840 -0.073 0.000 0.839 1173 L CB 0.376 42.345 42.059 -0.151 0.000 1.133 1173 L HN 0.468 nan 8.230 nan 0.000 0.453 1174 L N 5.006 126.189 121.223 -0.066 0.000 2.515 1174 L HA 0.410 4.750 4.340 -0.000 0.000 0.202 1174 L C 0.148 176.985 176.870 -0.056 0.000 1.056 1174 L CA 0.069 54.879 54.840 -0.050 0.000 0.847 1174 L CB 0.218 42.256 42.059 -0.034 0.000 1.131 1174 L HN 0.481 nan 8.230 nan 0.000 0.484 1175 I N -0.681 119.850 120.570 -0.064 0.000 2.827 1175 I HA 0.216 4.386 4.170 -0.000 0.000 0.298 1175 I C -0.940 175.146 176.117 -0.051 0.000 1.235 1175 I CA -0.360 60.909 61.300 -0.052 0.000 1.021 1175 I CB 3.303 41.280 38.000 -0.038 0.000 1.259 1175 I HN -0.052 nan 8.210 nan 0.000 0.427 1176 E N 6.170 126.356 120.200 -0.023 0.000 2.171 1176 E HA 0.588 4.938 4.350 -0.000 0.000 0.271 1176 E C -1.465 175.183 176.600 0.080 0.000 0.916 1176 E CA -0.713 55.715 56.400 0.047 0.000 0.774 1176 E CB 1.597 31.328 29.700 0.050 0.000 1.128 1176 E HN 0.439 nan 8.360 nan 0.000 0.403 1177 I N 0.389 121.043 120.570 0.141 0.000 2.828 1177 I HA 0.516 4.686 4.170 -0.000 0.000 0.302 1177 I C -0.179 176.121 176.117 0.305 0.000 1.101 1177 I CA -0.886 60.529 61.300 0.193 0.000 1.031 1177 I CB 1.319 39.418 38.000 0.164 0.000 1.231 1177 I HN 0.560 nan 8.210 nan 0.000 0.427 1178 E N 0.000 120.343 120.200 0.239 0.000 2.725 1178 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 1178 E CA 0.000 56.492 56.400 0.153 0.000 0.976 1178 E CB 0.000 29.753 29.700 0.088 0.000 0.812 1178 E HN 0.000 nan 8.360 nan 0.000 0.440