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 3ho8_1_A DATA FIRST_RESID 36 DATA SEQUENCE QIKKLLVANR GEIAIRIFRA AAELDISTVA IYSNEDKSSL HRYKADESYL DATA SEQUENCE VGSDLGPAES YLNIERIIDV AKQANVDAIH PGYGFLSENE QFARRCAEEG DATA SEQUENCE IKFIGPHLEH LDMFGDKVKA RTTAIKADLP VIPGTDXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XRYIDNPKHI 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 RIYIKDEN 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 0.000 176.016 176.000 0.027 0.000 1.003 36 Q CA 0.000 55.818 55.803 0.025 0.000 1.022 36 Q CB 0.000 28.754 28.738 0.027 0.000 1.108 37 I N 2.293 122.880 120.570 0.028 0.000 2.502 37 I HA 0.244 4.415 4.170 0.003 0.000 0.276 37 I C 0.771 176.908 176.117 0.034 0.000 1.057 37 I CA -0.416 60.903 61.300 0.032 0.000 1.163 37 I CB 0.961 38.981 38.000 0.035 0.000 1.288 37 I HN -0.070 nan 8.210 nan 0.000 0.479 38 K N 3.246 123.666 120.400 0.034 0.000 2.057 38 K HA -0.007 4.314 4.320 0.003 0.000 0.207 38 K C 0.703 177.327 176.600 0.040 0.000 1.049 38 K CA 1.294 57.602 56.287 0.033 0.000 0.931 38 K CB 0.151 32.669 32.500 0.031 0.000 0.714 38 K HN 0.453 nan 8.250 nan 0.000 0.440 39 K N 0.264 120.694 120.400 0.049 0.000 2.553 39 K HA 0.264 4.586 4.320 0.003 0.000 0.250 39 K C -1.795 174.851 176.600 0.078 0.000 0.953 39 K CA -0.377 55.947 56.287 0.062 0.000 0.800 39 K CB 1.291 33.829 32.500 0.064 0.000 1.243 39 K HN -0.048 nan 8.250 nan 0.000 0.435 40 L N 6.164 127.445 121.223 0.097 0.000 2.313 40 L HA 0.545 4.887 4.340 0.003 0.000 0.283 40 L C -1.359 175.618 176.870 0.177 0.000 1.013 40 L CA -0.871 54.043 54.840 0.122 0.000 0.816 40 L CB 1.282 43.415 42.059 0.123 0.000 1.236 40 L HN 0.694 nan 8.230 nan 0.000 0.419 41 L N 5.818 127.144 121.223 0.172 0.000 2.296 41 L HA 0.527 4.869 4.340 0.003 0.000 0.286 41 L C -1.049 175.932 176.870 0.185 0.000 1.023 41 L CA -0.694 54.274 54.840 0.213 0.000 0.812 41 L CB 1.838 44.012 42.059 0.191 0.000 1.223 41 L HN 0.397 nan 8.230 nan 0.000 0.421 42 V N 5.464 125.493 119.914 0.191 0.000 2.368 42 V HA 0.266 4.388 4.120 0.003 0.000 0.266 42 V C 0.909 177.019 176.094 0.026 0.000 1.045 42 V CA -0.209 62.086 62.300 -0.008 0.000 0.899 42 V CB 1.124 32.703 31.823 -0.407 0.000 1.006 42 V HN 0.889 nan 8.190 nan 0.000 0.470 43 A N 4.982 127.838 122.820 0.061 0.000 3.117 43 A HA 0.427 4.748 4.320 0.003 0.000 0.255 43 A C 0.405 177.933 177.584 -0.093 0.000 1.583 43 A CA 0.104 52.184 52.037 0.072 0.000 1.234 43 A CB -0.731 18.410 19.000 0.234 0.000 1.076 43 A HN 0.878 nan 8.150 nan 0.000 0.653 44 N N -0.773 117.777 118.700 -0.251 0.000 3.522 44 N HA 0.657 5.398 4.740 0.003 0.000 0.328 44 N C -0.497 174.533 175.510 -0.799 0.000 1.623 44 N CA -0.780 51.949 53.050 -0.535 0.000 0.812 44 N CB 1.016 39.256 38.487 -0.411 0.000 2.008 44 N HN 0.519 nan 8.380 nan 0.000 0.601 45 R N -0.908 119.061 120.500 -0.885 0.000 2.909 45 R HA 0.694 5.036 4.340 0.003 0.000 0.262 45 R C 0.422 176.342 176.300 -0.633 0.000 1.095 45 R CA -0.355 55.099 56.100 -1.076 0.000 0.965 45 R CB -0.115 29.539 30.300 -1.077 0.000 1.300 45 R HN 0.657 nan 8.270 nan 0.000 0.442 46 G N 0.920 109.526 108.800 -0.324 0.000 2.602 46 G HA2 -0.499 3.463 3.960 0.003 0.000 0.317 46 G HA3 -0.499 3.463 3.960 0.003 0.000 0.317 46 G C 0.785 175.629 174.900 -0.094 0.000 1.327 46 G CA 1.356 46.407 45.100 -0.081 0.000 0.971 46 G HN 1.021 nan 8.290 nan 0.000 0.540 47 E N -0.392 119.790 120.200 -0.031 0.000 2.110 47 E HA -0.033 4.319 4.350 0.003 0.000 0.193 47 E C 2.464 179.027 176.600 -0.062 0.000 0.988 47 E CA 2.090 58.492 56.400 0.003 0.000 0.804 47 E CB -0.188 29.563 29.700 0.085 0.000 0.745 47 E HN 0.654 nan 8.360 nan 0.000 0.458 48 I N 1.100 121.575 120.570 -0.160 0.000 2.252 48 I HA -0.082 4.090 4.170 0.003 0.000 0.245 48 I C 2.292 178.187 176.117 -0.370 0.000 1.102 48 I CA 1.350 62.497 61.300 -0.254 0.000 1.385 48 I CB -0.895 36.768 38.000 -0.562 0.000 1.064 48 I HN 0.237 nan 8.210 nan 0.000 0.414 49 A N 0.850 123.386 122.820 -0.474 0.000 1.903 49 A HA -0.254 4.068 4.320 0.003 0.000 0.219 49 A C 2.357 179.531 177.584 -0.683 0.000 1.191 49 A CA 2.522 54.142 52.037 -0.695 0.000 0.638 49 A CB -1.181 17.395 19.000 -0.706 0.000 0.823 49 A HN 0.536 nan 8.150 nan 0.000 0.451 50 I N -1.404 119.010 120.570 -0.261 0.000 2.202 50 I HA -0.236 3.936 4.170 0.003 0.000 0.242 50 I C 2.656 178.739 176.117 -0.056 0.000 1.091 50 I CA 1.720 62.999 61.300 -0.037 0.000 1.368 50 I CB -0.409 37.604 38.000 0.021 0.000 1.058 50 I HN 0.346 nan 8.210 nan 0.000 0.410 51 R N 1.868 122.315 120.500 -0.089 0.000 2.094 51 R HA -0.193 4.149 4.340 0.003 0.000 0.239 51 R C 2.079 178.314 176.300 -0.108 0.000 1.137 51 R CA 1.935 58.007 56.100 -0.046 0.000 0.943 51 R CB -0.769 29.541 30.300 0.017 0.000 0.850 51 R HN 0.286 nan 8.270 nan 0.000 0.433 52 I N -0.317 120.089 120.570 -0.274 0.000 2.127 52 I HA -0.302 3.870 4.170 0.003 0.000 0.241 52 I C 2.150 178.189 176.117 -0.129 0.000 1.075 52 I CA 1.802 62.897 61.300 -0.341 0.000 1.334 52 I CB -0.436 37.212 38.000 -0.586 0.000 1.040 52 I HN 0.146 nan 8.210 nan 0.000 0.405 53 F N 0.683 120.583 119.950 -0.084 0.000 2.065 53 F HA -0.295 4.234 4.527 0.003 0.000 0.298 53 F C 2.881 178.661 175.800 -0.034 0.000 1.112 53 F CA 1.129 59.100 58.000 -0.048 0.000 1.212 53 F CB -0.423 38.552 39.000 -0.042 0.000 0.975 53 F HN -0.065 nan 8.300 nan 0.000 0.476 54 R N 0.374 120.973 120.500 0.165 0.000 2.094 54 R HA -0.205 4.137 4.340 0.003 0.000 0.239 54 R C 2.471 178.807 176.300 0.060 0.000 1.137 54 R CA 1.337 57.489 56.100 0.087 0.000 0.943 54 R CB -0.927 29.409 30.300 0.060 0.000 0.850 54 R HN 0.307 nan 8.270 nan 0.000 0.433 55 A N 1.383 124.227 122.820 0.040 0.000 1.859 55 A HA -0.239 4.083 4.320 0.003 0.000 0.217 55 A C 2.436 180.046 177.584 0.043 0.000 1.198 55 A CA 2.140 54.194 52.037 0.029 0.000 0.629 55 A CB -1.104 17.897 19.000 0.003 0.000 0.830 55 A HN 0.452 nan 8.150 nan 0.000 0.446 56 A N -0.446 122.411 122.820 0.061 0.000 1.908 56 A HA 0.087 4.409 4.320 0.003 0.000 0.218 56 A C 2.516 180.138 177.584 0.064 0.000 1.181 56 A CA 2.484 54.566 52.037 0.075 0.000 0.627 56 A CB -1.105 17.967 19.000 0.120 0.000 0.818 56 A HN 1.263 nan 8.150 nan 0.000 0.445 57 A N -0.366 122.494 122.820 0.066 0.000 1.972 57 A HA -0.170 4.152 4.320 0.003 0.000 0.219 57 A C 1.868 179.470 177.584 0.030 0.000 1.169 57 A CA 1.611 53.671 52.037 0.039 0.000 0.635 57 A CB -0.508 18.511 19.000 0.032 0.000 0.810 57 A HN 0.665 nan 8.150 nan 0.000 0.446 58 E N -0.389 119.831 120.200 0.033 0.000 2.204 58 E HA -0.092 4.260 4.350 0.003 0.000 0.195 58 E C 1.228 177.842 176.600 0.024 0.000 0.990 58 E CA 0.804 57.220 56.400 0.026 0.000 0.821 58 E CB -0.204 29.512 29.700 0.026 0.000 0.750 58 E HN 0.628 nan 8.360 nan 0.000 0.477 59 L N 0.577 121.817 121.223 0.029 0.000 2.612 59 L HA 0.031 4.373 4.340 0.003 0.000 0.230 59 L C 0.072 176.956 176.870 0.025 0.000 1.140 59 L CA -0.127 54.729 54.840 0.026 0.000 0.896 59 L CB -0.158 41.919 42.059 0.031 0.000 1.065 59 L HN 0.059 nan 8.230 nan 0.000 0.447 60 D N 0.937 121.350 120.400 0.023 0.000 2.697 60 D HA -0.227 4.415 4.640 0.003 0.000 0.235 60 D C -0.131 176.182 176.300 0.022 0.000 1.167 60 D CA 0.565 54.576 54.000 0.019 0.000 0.656 60 D CB -0.658 40.151 40.800 0.014 0.000 1.025 60 D HN 0.252 nan 8.370 nan 0.000 0.419 61 I N -0.012 120.575 120.570 0.029 0.000 2.577 61 I HA 0.229 4.401 4.170 0.003 0.000 0.305 61 I C 0.818 176.953 176.117 0.030 0.000 0.986 61 I CA -0.793 60.528 61.300 0.035 0.000 1.189 61 I CB 1.735 39.765 38.000 0.049 0.000 1.355 61 I HN 0.045 nan 8.210 nan 0.000 0.476 62 S N 2.583 118.300 115.700 0.030 0.000 2.545 62 S HA 0.370 4.842 4.470 0.003 0.000 0.275 62 S C -0.228 174.387 174.600 0.025 0.000 1.299 62 S CA -0.595 57.615 58.200 0.016 0.000 1.048 62 S CB 0.279 63.492 63.200 0.020 0.000 0.938 62 S HN 0.654 nan 8.310 nan 0.000 0.496 63 T N 1.694 116.232 114.554 -0.027 0.000 2.797 63 T HA 0.690 5.042 4.350 0.003 0.000 0.279 63 T C -0.600 174.048 174.700 -0.087 0.000 0.991 63 T CA -0.760 61.313 62.100 -0.045 0.000 0.979 63 T CB 1.245 69.988 68.868 -0.208 0.000 0.943 63 T HN 0.338 nan 8.240 nan 0.000 0.444 64 V N 2.017 121.976 119.914 0.075 0.000 2.540 64 V HA 0.800 4.922 4.120 0.003 0.000 0.302 64 V C 0.046 176.295 176.094 0.257 0.000 1.035 64 V CA -0.901 61.463 62.300 0.106 0.000 0.873 64 V CB 1.508 33.439 31.823 0.181 0.000 0.992 64 V HN 1.295 nan 8.190 nan 0.000 0.428 65 A N 5.880 128.824 122.820 0.207 0.000 2.342 65 A HA 0.933 5.254 4.320 0.003 0.000 0.323 65 A C -0.641 177.157 177.584 0.355 0.000 1.125 65 A CA -0.591 51.699 52.037 0.422 0.000 0.785 65 A CB 1.099 20.360 19.000 0.435 0.000 1.221 65 A HN 0.978 nan 8.150 nan 0.000 0.463 66 I N -0.111 120.686 120.570 0.378 0.000 2.607 66 I HA 0.913 5.085 4.170 0.003 0.000 0.305 66 I C -0.731 175.669 176.117 0.473 0.000 0.995 66 I CA -0.963 60.514 61.300 0.294 0.000 1.148 66 I CB 1.618 39.712 38.000 0.157 0.000 1.323 66 I HN 0.723 nan 8.210 nan 0.000 0.461 67 Y N 1.826 122.221 120.300 0.158 0.000 2.544 67 Y HA 0.751 5.303 4.550 0.003 0.000 0.342 67 Y C -0.588 175.253 175.900 -0.098 0.000 1.062 67 Y CA -1.115 57.076 58.100 0.152 0.000 1.023 67 Y CB 0.724 39.279 38.460 0.158 0.000 1.308 67 Y HN 0.768 nan 8.280 nan 0.000 0.457 68 S N 0.806 116.509 115.700 0.005 0.000 2.632 68 S HA 0.271 4.742 4.470 0.003 0.000 0.271 68 S C 0.255 174.964 174.600 0.182 0.000 1.260 68 S CA -0.188 57.980 58.200 -0.054 0.000 1.010 68 S CB 1.229 64.448 63.200 0.032 0.000 0.965 68 S HN 0.893 nan 8.310 nan 0.000 0.534 69 N N 1.472 120.223 118.700 0.085 0.000 2.069 69 N HA -0.200 4.542 4.740 0.003 0.000 0.196 69 N C 1.546 177.160 175.510 0.173 0.000 1.024 69 N CA 1.961 55.088 53.050 0.128 0.000 0.869 69 N CB -0.185 38.331 38.487 0.047 0.000 1.035 69 N HN 0.703 nan 8.380 nan 0.000 0.434 70 E N 0.446 120.745 120.200 0.166 0.000 2.150 70 E HA -0.129 4.223 4.350 0.003 0.000 0.193 70 E C 0.638 177.408 176.600 0.283 0.000 0.985 70 E CA 0.899 57.418 56.400 0.198 0.000 0.814 70 E CB -0.224 29.570 29.700 0.157 0.000 0.752 70 E HN 0.435 nan 8.360 nan 0.000 0.466 71 D N 0.878 121.493 120.400 0.358 0.000 2.349 71 D HA 0.019 4.661 4.640 0.003 0.000 0.224 71 D C 1.391 177.772 176.300 0.134 0.000 1.029 71 D CA 0.126 54.314 54.000 0.313 0.000 0.879 71 D CB 0.007 41.069 40.800 0.438 0.000 0.906 71 D HN 0.145 nan 8.370 nan 0.000 0.528 72 K N 0.195 120.681 120.400 0.144 0.000 2.163 72 K HA -0.177 4.145 4.320 0.003 0.000 0.210 72 K C 1.663 178.216 176.600 -0.077 0.000 1.048 72 K CA 1.675 57.946 56.287 -0.026 0.000 0.928 72 K CB -0.025 32.522 32.500 0.079 0.000 0.716 72 K HN 0.129 nan 8.250 nan 0.000 0.459 73 S N -0.454 115.272 115.700 0.042 0.000 2.577 73 S HA 0.080 4.552 4.470 0.003 0.000 0.219 73 S C 0.594 175.282 174.600 0.145 0.000 0.962 73 S CA -0.518 57.734 58.200 0.086 0.000 0.921 73 S CB 0.463 63.746 63.200 0.137 0.000 0.789 73 S HN 0.177 nan 8.310 nan 0.000 0.497 74 S N 0.613 116.353 115.700 0.067 0.000 2.592 74 S HA 0.212 4.684 4.470 0.003 0.000 0.256 74 S C 0.922 175.465 174.600 -0.096 0.000 1.369 74 S CA -0.310 57.914 58.200 0.041 0.000 0.984 74 S CB 0.424 63.543 63.200 -0.134 0.000 0.919 74 S HN 0.449 nan 8.310 nan 0.000 0.576 75 L N 1.392 122.495 121.223 -0.200 0.000 2.298 75 L HA 0.179 4.520 4.340 0.003 0.000 0.209 75 L C 2.341 178.814 176.870 -0.662 0.000 1.084 75 L CA 1.505 56.011 54.840 -0.556 0.000 0.816 75 L CB -0.604 41.208 42.059 -0.412 0.000 0.967 75 L HN 0.942 nan 8.230 nan 0.000 0.460 76 H N -0.104 118.816 119.070 -0.251 0.000 2.524 76 H HA -0.085 4.473 4.556 0.003 0.000 0.282 76 H C 1.801 177.112 175.328 -0.029 0.000 1.016 76 H CA 0.925 56.914 56.048 -0.099 0.000 1.270 76 H CB -0.235 29.526 29.762 -0.002 0.000 1.394 76 H HN 0.477 nan 8.280 nan 0.000 0.568 77 R N 1.604 121.829 120.500 -0.458 0.000 2.092 77 R HA -0.152 4.190 4.340 0.003 0.000 0.231 77 R C 0.892 177.129 176.300 -0.105 0.000 1.119 77 R CA 1.414 57.391 56.100 -0.204 0.000 0.970 77 R CB -1.001 29.095 30.300 -0.339 0.000 0.864 77 R HN 0.540 nan 8.270 nan 0.000 0.440 78 Y N -0.602 119.589 120.300 -0.180 0.000 2.683 78 Y HA 0.525 5.077 4.550 0.003 0.000 0.297 78 Y C 0.670 176.479 175.900 -0.152 0.000 1.147 78 Y CA -0.960 57.034 58.100 -0.176 0.000 1.274 78 Y CB 0.563 38.921 38.460 -0.170 0.000 1.143 78 Y HN -0.220 nan 8.280 nan 0.000 0.527 79 K N 1.001 121.249 120.400 -0.254 0.000 2.353 79 K HA 0.438 4.760 4.320 0.003 0.000 0.195 79 K C 0.269 176.592 176.600 -0.462 0.000 1.031 79 K CA 0.295 56.466 56.287 -0.194 0.000 1.079 79 K CB 0.704 33.230 32.500 0.043 0.000 0.857 79 K HN 0.418 nan 8.250 nan 0.000 0.535 80 A N 0.894 123.304 122.820 -0.683 0.000 2.337 80 A HA 0.364 4.686 4.320 0.003 0.000 0.331 80 A C 0.375 177.717 177.584 -0.402 0.000 1.137 80 A CA -0.566 50.926 52.037 -0.907 0.000 0.807 80 A CB 0.899 19.113 19.000 -1.311 0.000 1.250 80 A HN -0.040 nan 8.150 nan 0.000 0.468 81 D N 0.466 120.684 120.400 -0.304 0.000 2.149 81 D HA -0.077 4.564 4.640 0.003 0.000 0.198 81 D C 0.271 176.481 176.300 -0.149 0.000 0.990 81 D CA 1.635 55.536 54.000 -0.165 0.000 0.839 81 D CB 0.387 41.123 40.800 -0.107 0.000 0.948 81 D HN 0.724 nan 8.370 nan 0.000 0.460 82 E N -1.002 119.091 120.200 -0.178 0.000 2.392 82 E HA 0.542 4.894 4.350 0.003 0.000 0.269 82 E C -1.178 175.251 176.600 -0.285 0.000 0.924 82 E CA -0.584 55.685 56.400 -0.218 0.000 0.784 82 E CB 2.647 32.267 29.700 -0.134 0.000 1.292 82 E HN -0.254 nan 8.360 nan 0.000 0.447 83 S N 0.935 116.327 115.700 -0.514 0.000 2.603 83 S HA 0.455 4.927 4.470 0.003 0.000 0.274 83 S C -2.011 172.315 174.600 -0.457 0.000 1.168 83 S CA -0.547 57.483 58.200 -0.283 0.000 0.963 83 S CB 0.394 63.556 63.200 -0.064 0.000 1.078 83 S HN 0.424 nan 8.310 nan 0.000 0.477 84 Y N 2.429 122.857 120.300 0.214 0.000 2.373 84 Y HA 0.466 5.017 4.550 0.003 0.000 0.336 84 Y C -0.155 175.415 175.900 -0.549 0.000 0.979 84 Y CA -1.093 56.987 58.100 -0.035 0.000 1.080 84 Y CB 1.247 39.686 38.460 -0.035 0.000 1.190 84 Y HN 0.548 nan 8.280 nan 0.000 0.446 85 L N 3.993 124.732 121.223 -0.806 0.000 2.601 85 L HA 0.003 4.344 4.340 0.003 0.000 0.277 85 L C 0.488 177.121 176.870 -0.395 0.000 1.219 85 L CA 0.553 54.822 54.840 -0.950 0.000 0.915 85 L CB 0.617 42.382 42.059 -0.491 0.000 1.160 85 L HN 0.731 nan 8.230 nan 0.000 0.494 86 V N 4.028 123.719 119.914 -0.373 0.000 2.453 86 V HA 0.203 4.325 4.120 0.003 0.000 0.247 86 V C 1.183 177.172 176.094 -0.175 0.000 1.048 86 V CA 1.141 63.303 62.300 -0.229 0.000 1.049 86 V CB -1.117 30.551 31.823 -0.259 0.000 0.672 86 V HN 1.019 nan 8.190 nan 0.000 0.457 87 G N -0.640 108.054 108.800 -0.176 0.000 2.378 87 G HA2 0.340 4.302 3.960 0.003 0.000 0.306 87 G HA3 0.340 4.302 3.960 0.003 0.000 0.306 87 G C 0.329 175.170 174.900 -0.098 0.000 1.413 87 G CA 0.233 45.262 45.100 -0.118 0.000 1.123 87 G HN 0.100 nan 8.290 nan 0.000 0.587 88 S N 1.146 116.804 115.700 -0.069 0.000 2.420 88 S HA -0.195 4.276 4.470 0.003 0.000 0.237 88 S C 1.667 176.243 174.600 -0.039 0.000 1.023 88 S CA 1.912 60.087 58.200 -0.041 0.000 0.991 88 S CB -0.118 63.071 63.200 -0.020 0.000 0.792 88 S HN 0.791 nan 8.310 nan 0.000 0.488 89 D N 1.296 121.670 120.400 -0.044 0.000 2.323 89 D HA -0.016 4.625 4.640 0.003 0.000 0.209 89 D C 0.450 176.721 176.300 -0.047 0.000 0.973 89 D CA 0.084 54.061 54.000 -0.038 0.000 0.874 89 D CB -0.235 40.546 40.800 -0.032 0.000 0.930 89 D HN 0.401 nan 8.370 nan 0.000 0.521 90 L N 1.817 123.000 121.223 -0.067 0.000 2.315 90 L HA 0.401 4.743 4.340 0.003 0.000 0.283 90 L C 1.256 178.076 176.870 -0.084 0.000 1.089 90 L CA -0.733 54.060 54.840 -0.079 0.000 0.833 90 L CB 1.363 43.356 42.059 -0.111 0.000 1.170 90 L HN -0.082 nan 8.230 nan 0.000 0.442 91 G N 3.302 112.057 108.800 -0.075 0.000 2.651 91 G HA2 0.228 4.190 3.960 0.003 0.000 0.260 91 G HA3 0.228 4.190 3.960 0.003 0.000 0.260 91 G C -1.342 173.488 174.900 -0.116 0.000 1.216 91 G CA -0.915 44.122 45.100 -0.105 0.000 0.913 91 G HN 0.477 nan 8.290 nan 0.000 0.535 92 P HA -0.331 nan 4.420 nan 0.000 0.222 92 P C 1.785 179.156 177.300 0.120 0.000 1.159 92 P CA 2.954 65.945 63.100 -0.182 0.000 0.920 92 P CB 0.051 31.265 31.700 -0.810 0.000 0.793 93 A N -0.660 122.211 122.820 0.085 0.000 1.878 93 A HA -0.126 4.196 4.320 0.003 0.000 0.213 93 A C 2.403 180.110 177.584 0.204 0.000 1.192 93 A CA 1.632 53.839 52.037 0.284 0.000 0.619 93 A CB -1.283 17.850 19.000 0.222 0.000 0.837 93 A HN 0.177 nan 8.150 nan 0.000 0.446 94 E N 0.685 120.927 120.200 0.070 0.000 2.114 94 E HA -0.183 4.168 4.350 0.003 0.000 0.199 94 E C 2.085 178.650 176.600 -0.059 0.000 1.008 94 E CA 1.859 58.267 56.400 0.013 0.000 0.810 94 E CB -0.402 29.285 29.700 -0.020 0.000 0.739 94 E HN 0.472 nan 8.360 nan 0.000 0.456 95 S N -0.932 114.678 115.700 -0.151 0.000 2.365 95 S HA -0.181 4.291 4.470 0.003 0.000 0.225 95 S C 1.306 175.641 174.600 -0.441 0.000 1.039 95 S CA 1.563 59.547 58.200 -0.360 0.000 1.033 95 S CB -0.444 62.409 63.200 -0.578 0.000 0.887 95 S HN 0.474 nan 8.310 nan 0.000 0.447 96 Y N 0.141 120.352 120.300 -0.147 0.000 2.470 96 Y HA 0.383 4.935 4.550 0.003 0.000 0.284 96 Y C 1.301 177.045 175.900 -0.260 0.000 1.188 96 Y CA -0.016 57.864 58.100 -0.366 0.000 1.269 96 Y CB 0.053 37.965 38.460 -0.913 0.000 1.094 96 Y HN 0.144 nan 8.280 nan 0.000 0.518 97 L N -1.415 119.797 121.223 -0.018 0.000 2.948 97 L HA 0.162 4.504 4.340 0.003 0.000 0.259 97 L C 0.102 176.926 176.870 -0.077 0.000 1.136 97 L CA -0.069 54.784 54.840 0.022 0.000 0.959 97 L CB 0.412 42.560 42.059 0.149 0.000 1.370 97 L HN -0.008 nan 8.230 nan 0.000 0.552 98 N N 0.879 119.513 118.700 -0.110 0.000 2.402 98 N HA 0.169 4.910 4.740 0.003 0.000 0.252 98 N C 1.153 176.559 175.510 -0.174 0.000 1.118 98 N CA -0.093 52.892 53.050 -0.109 0.000 0.945 98 N CB 0.684 39.120 38.487 -0.085 0.000 1.147 98 N HN 0.104 nan 8.380 nan 0.000 0.495 99 I N 2.292 122.761 120.570 -0.169 0.000 2.091 99 I HA -0.308 3.864 4.170 0.003 0.000 0.239 99 I C 1.891 177.970 176.117 -0.064 0.000 1.061 99 I CA 1.205 62.389 61.300 -0.194 0.000 1.317 99 I CB -0.013 37.973 38.000 -0.022 0.000 1.031 99 I HN 0.633 nan 8.210 nan 0.000 0.401 100 E N 0.388 120.578 120.200 -0.017 0.000 2.106 100 E HA -0.165 4.187 4.350 0.003 0.000 0.192 100 E C 2.304 178.900 176.600 -0.007 0.000 0.984 100 E CA 1.073 57.480 56.400 0.012 0.000 0.806 100 E CB -0.265 29.441 29.700 0.009 0.000 0.750 100 E HN 0.460 nan 8.360 nan 0.000 0.458 101 R N 0.057 120.533 120.500 -0.041 0.000 2.115 101 R HA 0.087 4.429 4.340 0.003 0.000 0.226 101 R C 2.452 178.720 176.300 -0.054 0.000 1.100 101 R CA 0.545 56.613 56.100 -0.053 0.000 0.980 101 R CB -0.086 30.170 30.300 -0.073 0.000 0.875 101 R HN 0.172 nan 8.270 nan 0.000 0.445 102 I N 0.461 120.990 120.570 -0.068 0.000 2.353 102 I HA -0.233 3.939 4.170 0.003 0.000 0.248 102 I C 2.047 178.207 176.117 0.073 0.000 1.119 102 I CA 0.692 61.970 61.300 -0.037 0.000 1.417 102 I CB -0.093 37.820 38.000 -0.144 0.000 1.078 102 I HN 0.105 nan 8.210 nan 0.000 0.421 103 I N 0.773 121.411 120.570 0.113 0.000 2.127 103 I HA -0.339 3.833 4.170 0.003 0.000 0.241 103 I C 2.248 178.412 176.117 0.077 0.000 1.075 103 I CA 1.755 63.150 61.300 0.157 0.000 1.334 103 I CB -1.202 36.893 38.000 0.158 0.000 1.040 103 I HN 0.317 nan 8.210 nan 0.000 0.405 104 D N 0.693 121.112 120.400 0.032 0.000 2.154 104 D HA -0.184 4.458 4.640 0.003 0.000 0.190 104 D C 2.335 178.623 176.300 -0.021 0.000 1.003 104 D CA 1.590 55.588 54.000 -0.004 0.000 0.849 104 D CB -0.142 40.642 40.800 -0.028 0.000 0.942 104 D HN 0.137 nan 8.370 nan 0.000 0.446 105 V N 1.777 121.677 119.914 -0.022 0.000 2.252 105 V HA -0.323 3.799 4.120 0.003 0.000 0.249 105 V C 2.638 178.737 176.094 0.009 0.000 1.056 105 V CA 2.148 64.424 62.300 -0.040 0.000 1.022 105 V CB -0.953 30.885 31.823 0.026 0.000 0.641 105 V HN 0.230 nan 8.190 nan 0.000 0.445 106 A N -0.509 122.354 122.820 0.071 0.000 1.884 106 A HA -0.325 3.997 4.320 0.003 0.000 0.219 106 A C 2.306 179.921 177.584 0.052 0.000 1.197 106 A CA 2.464 54.554 52.037 0.089 0.000 0.637 106 A CB -0.584 18.487 19.000 0.118 0.000 0.827 106 A HN 0.547 nan 8.150 nan 0.000 0.450 107 K N -1.080 119.341 120.400 0.035 0.000 2.032 107 K HA -0.200 4.122 4.320 0.003 0.000 0.209 107 K C 2.395 178.992 176.600 -0.005 0.000 1.048 107 K CA 1.538 57.836 56.287 0.018 0.000 0.927 107 K CB -0.212 32.297 32.500 0.014 0.000 0.712 107 K HN 0.685 nan 8.250 nan 0.000 0.441 108 Q N 0.308 120.086 119.800 -0.038 0.000 2.230 108 Q HA -0.067 4.275 4.340 0.003 0.000 0.202 108 Q C 1.231 177.189 176.000 -0.069 0.000 0.963 108 Q CA 1.144 56.901 55.803 -0.076 0.000 0.866 108 Q CB 0.161 28.811 28.738 -0.147 0.000 0.931 108 Q HN 0.250 nan 8.270 nan 0.000 0.452 109 A N 0.290 123.090 122.820 -0.033 0.000 2.379 109 A HA 0.128 4.450 4.320 0.003 0.000 0.236 109 A C 0.004 177.624 177.584 0.060 0.000 1.272 109 A CA 0.083 52.143 52.037 0.039 0.000 0.886 109 A CB -0.331 18.757 19.000 0.146 0.000 0.962 109 A HN 0.641 nan 8.150 nan 0.000 0.504 110 N N -0.876 117.846 118.700 0.037 0.000 2.696 110 N HA -0.129 4.613 4.740 0.003 0.000 0.256 110 N C -0.701 174.841 175.510 0.053 0.000 1.031 110 N CA 0.589 53.663 53.050 0.039 0.000 0.730 110 N CB -0.950 37.558 38.487 0.034 0.000 0.894 110 N HN 0.201 nan 8.380 nan 0.000 0.544 111 V N 0.439 120.390 119.914 0.061 0.000 2.432 111 V HA 0.078 4.200 4.120 0.003 0.000 0.275 111 V C 1.120 177.250 176.094 0.060 0.000 1.043 111 V CA -0.192 62.152 62.300 0.074 0.000 0.925 111 V CB 1.648 33.529 31.823 0.097 0.000 0.985 111 V HN 0.296 nan 8.190 nan 0.000 0.466 112 D N 3.095 123.529 120.400 0.056 0.000 2.084 112 D HA 0.166 4.808 4.640 0.003 0.000 0.196 112 D C 0.636 176.961 176.300 0.041 0.000 0.985 112 D CA 1.849 55.876 54.000 0.044 0.000 0.826 112 D CB 0.116 40.941 40.800 0.041 0.000 0.978 112 D HN 0.748 nan 8.370 nan 0.000 0.456 113 A N -0.656 122.192 122.820 0.046 0.000 2.574 113 A HA 0.619 4.941 4.320 0.003 0.000 0.297 113 A C -1.439 176.167 177.584 0.036 0.000 1.062 113 A CA -0.622 51.432 52.037 0.029 0.000 0.686 113 A CB 1.123 20.130 19.000 0.012 0.000 1.285 113 A HN 0.059 nan 8.150 nan 0.000 0.403 114 I N 2.348 122.918 120.570 -0.001 0.000 2.404 114 I HA 0.328 4.499 4.170 0.003 0.000 0.293 114 I C -0.428 175.615 176.117 -0.123 0.000 0.992 114 I CA -0.556 60.748 61.300 0.008 0.000 1.149 114 I CB 1.650 39.690 38.000 0.066 0.000 1.315 114 I HN 0.695 nan 8.210 nan 0.000 0.446 115 H N 8.025 127.017 119.070 -0.130 0.000 2.488 115 H HA 0.317 4.875 4.556 0.003 0.000 0.322 115 H C -2.037 173.185 175.328 -0.175 0.000 1.078 115 H CA -1.994 53.920 56.048 -0.223 0.000 1.260 115 H CB 2.320 31.972 29.762 -0.184 0.000 1.425 115 H HN 0.322 nan 8.280 nan 0.000 0.471 116 P HA 0.100 nan 4.420 nan 0.000 0.239 116 P C 0.795 178.164 177.300 0.115 0.000 1.188 116 P CA 1.045 64.200 63.100 0.092 0.000 0.794 116 P CB 1.059 32.826 31.700 0.112 0.000 0.937 117 G N 0.798 109.725 108.800 0.211 0.000 2.528 117 G HA2 -0.232 3.729 3.960 0.003 0.000 0.262 117 G HA3 -0.232 3.729 3.960 0.003 0.000 0.262 117 G C -0.688 174.261 174.900 0.082 0.000 1.200 117 G CA 0.260 45.371 45.100 0.018 0.000 0.951 117 G HN 0.452 nan 8.290 nan 0.000 0.566 118 Y N -1.460 118.889 120.300 0.081 0.000 2.549 118 Y HA 0.613 5.165 4.550 0.003 0.000 0.339 118 Y C 0.944 176.912 175.900 0.112 0.000 1.053 118 Y CA -1.216 56.937 58.100 0.087 0.000 1.105 118 Y CB 1.205 39.691 38.460 0.043 0.000 1.258 118 Y HN 2.450 nan 8.280 nan 0.000 0.478 119 G N 0.989 109.986 108.800 0.328 0.000 2.386 119 G HA2 -0.259 3.702 3.960 0.003 0.000 0.295 119 G HA3 -0.259 3.702 3.960 0.003 0.000 0.295 119 G C -0.923 173.957 174.900 -0.034 0.000 0.979 119 G CA 1.156 46.351 45.100 0.159 0.000 1.193 119 G HN 0.726 nan 8.290 nan 0.000 0.508 120 F N -1.689 118.336 119.950 0.126 0.000 1.975 120 F HA 0.354 4.883 4.527 0.003 0.000 0.222 120 F C 1.612 177.493 175.800 0.135 0.000 1.292 120 F CA -0.174 57.890 58.000 0.107 0.000 1.176 120 F CB -0.243 38.790 39.000 0.055 0.000 2.077 120 F HN -0.060 nan 8.300 nan 0.000 0.105 121 L N 1.186 122.666 121.223 0.427 0.000 2.627 121 L HA 0.089 4.430 4.340 0.003 0.000 0.232 121 L C 1.650 178.812 176.870 0.487 0.000 1.150 121 L CA 0.617 55.678 54.840 0.368 0.000 0.917 121 L CB -0.610 41.586 42.059 0.228 0.000 1.104 121 L HN 0.371 nan 8.230 nan 0.000 0.445 122 S N -0.842 115.107 115.700 0.415 0.000 2.423 122 S HA -0.171 4.300 4.470 0.003 0.000 0.231 122 S C 1.221 176.064 174.600 0.406 0.000 1.014 122 S CA 0.764 59.211 58.200 0.411 0.000 0.965 122 S CB -0.120 63.257 63.200 0.294 0.000 0.785 122 S HN 0.462 nan 8.310 nan 0.000 0.495 123 E N 1.672 122.052 120.200 0.300 0.000 3.269 123 E HA 0.291 4.643 4.350 0.003 0.000 0.221 123 E C -0.896 175.814 176.600 0.183 0.000 1.113 123 E CA -0.260 56.280 56.400 0.233 0.000 1.385 123 E CB 0.142 29.955 29.700 0.188 0.000 1.345 123 E HN 0.287 nan 8.360 nan 0.000 0.435 124 N N 1.227 120.027 118.700 0.167 0.000 2.461 124 N HA 0.040 4.782 4.740 0.003 0.000 0.284 124 N C 0.207 175.708 175.510 -0.015 0.000 1.049 124 N CA -0.068 53.050 53.050 0.113 0.000 0.889 124 N CB 1.616 40.221 38.487 0.197 0.000 1.365 124 N HN 0.193 nan 8.380 nan 0.000 0.499 125 E N 1.770 121.961 120.200 -0.014 0.000 2.152 125 E HA -0.125 4.227 4.350 0.003 0.000 0.192 125 E C 1.012 177.566 176.600 -0.077 0.000 0.983 125 E CA 0.908 57.264 56.400 -0.073 0.000 0.818 125 E CB 0.451 30.136 29.700 -0.025 0.000 0.758 125 E HN 0.578 nan 8.360 nan 0.000 0.467 126 Q N -0.185 119.614 119.800 -0.002 0.000 2.079 126 Q HA -0.147 4.195 4.340 0.003 0.000 0.200 126 Q C 2.024 178.069 176.000 0.075 0.000 0.974 126 Q CA 0.963 56.784 55.803 0.030 0.000 0.840 126 Q CB -0.247 28.525 28.738 0.056 0.000 0.898 126 Q HN 0.289 nan 8.270 nan 0.000 0.430 127 F N 1.030 120.934 119.950 -0.077 0.000 2.084 127 F HA -0.089 4.440 4.527 0.003 0.000 0.296 127 F C 2.135 177.850 175.800 -0.141 0.000 1.111 127 F CA 1.409 59.374 58.000 -0.057 0.000 1.224 127 F CB -0.933 38.074 39.000 0.012 0.000 0.991 127 F HN 0.040 nan 8.300 nan 0.000 0.471 128 A N 0.919 123.369 122.820 -0.616 0.000 1.948 128 A HA -0.272 4.050 4.320 0.003 0.000 0.220 128 A C 2.447 179.791 177.584 -0.400 0.000 1.177 128 A CA 2.006 53.482 52.037 -0.935 0.000 0.636 128 A CB -1.011 17.111 19.000 -1.463 0.000 0.815 128 A HN 0.535 nan 8.150 nan 0.000 0.449 129 R N -0.911 119.449 120.500 -0.233 0.000 2.083 129 R HA -0.156 4.186 4.340 0.003 0.000 0.237 129 R C 2.281 178.540 176.300 -0.069 0.000 1.137 129 R CA 1.598 57.629 56.100 -0.115 0.000 0.951 129 R CB -0.234 30.027 30.300 -0.065 0.000 0.851 129 R HN 0.367 nan 8.270 nan 0.000 0.434 130 R N 0.280 120.761 120.500 -0.032 0.000 2.073 130 R HA -0.066 4.275 4.340 0.003 0.000 0.229 130 R C 2.440 178.739 176.300 -0.002 0.000 1.120 130 R CA 1.233 57.343 56.100 0.016 0.000 0.967 130 R CB -1.080 29.274 30.300 0.090 0.000 0.862 130 R HN 0.363 nan 8.270 nan 0.000 0.436 131 C N 0.652 119.915 119.300 -0.062 0.000 2.336 131 C HA -0.211 4.251 4.460 0.003 0.000 0.275 131 C C 2.868 177.844 174.990 -0.023 0.000 1.175 131 C CA 1.389 60.369 59.018 -0.062 0.000 1.771 131 C CB -1.198 26.454 27.740 -0.147 0.000 2.030 131 C HN 0.589 nan 8.230 nan 0.000 0.442 132 A N -0.515 122.283 122.820 -0.036 0.000 2.125 132 A HA -0.165 4.157 4.320 0.003 0.000 0.219 132 A C 1.947 179.524 177.584 -0.012 0.000 1.156 132 A CA 1.566 53.594 52.037 -0.015 0.000 0.671 132 A CB -0.512 18.475 19.000 -0.022 0.000 0.794 132 A HN 0.790 nan 8.150 nan 0.000 0.459 133 E N -0.687 119.505 120.200 -0.013 0.000 2.250 133 E HA -0.047 4.304 4.350 0.003 0.000 0.192 133 E C 0.987 177.590 176.600 0.005 0.000 0.986 133 E CA 0.469 56.865 56.400 -0.005 0.000 0.849 133 E CB 0.102 29.799 29.700 -0.005 0.000 0.797 133 E HN 0.449 nan 8.360 nan 0.000 0.482 134 E N -0.419 119.788 120.200 0.012 0.000 2.463 134 E HA 0.071 4.423 4.350 0.003 0.000 0.193 134 E C 0.904 177.516 176.600 0.020 0.000 1.041 134 E CA 0.368 56.780 56.400 0.020 0.000 0.879 134 E CB 1.088 30.808 29.700 0.034 0.000 0.997 134 E HN 0.357 nan 8.360 nan 0.000 0.478 135 G N 1.339 110.148 108.800 0.015 0.000 2.176 135 G HA2 -0.279 3.683 3.960 0.003 0.000 0.253 135 G HA3 -0.279 3.683 3.960 0.003 0.000 0.253 135 G C 0.325 175.238 174.900 0.022 0.000 0.979 135 G CA 0.138 45.248 45.100 0.017 0.000 0.641 135 G HN 0.212 nan 8.290 nan 0.000 0.530 136 I N 0.095 120.680 120.570 0.024 0.000 2.886 136 I HA 0.586 4.758 4.170 0.003 0.000 0.299 136 I C 0.529 176.660 176.117 0.025 0.000 1.044 136 I CA -0.594 60.723 61.300 0.028 0.000 1.310 136 I CB 1.257 39.278 38.000 0.035 0.000 1.441 136 I HN -0.004 nan 8.210 nan 0.000 0.578 137 K N 4.398 124.812 120.400 0.023 0.000 2.464 137 K HA 0.309 4.630 4.320 0.003 0.000 0.252 137 K C -1.085 175.520 176.600 0.008 0.000 1.000 137 K CA -0.443 55.859 56.287 0.025 0.000 0.951 137 K CB 0.118 32.626 32.500 0.014 0.000 1.183 137 K HN 0.316 nan 8.250 nan 0.000 0.445 138 F N 5.295 125.167 119.950 -0.131 0.000 2.578 138 F HA 0.212 4.740 4.527 0.003 0.000 0.381 138 F C 0.138 175.833 175.800 -0.175 0.000 1.069 138 F CA 0.038 57.923 58.000 -0.193 0.000 1.231 138 F CB 0.327 39.191 39.000 -0.227 0.000 1.086 138 F HN 0.487 nan 8.300 nan 0.000 0.564 139 I N 7.566 127.671 120.570 -0.776 0.000 2.227 139 I HA 0.336 4.508 4.170 0.003 0.000 0.297 139 I C 0.644 176.259 176.117 -0.837 0.000 1.173 139 I CA 0.237 61.127 61.300 -0.683 0.000 1.356 139 I CB -0.828 36.779 38.000 -0.656 0.000 1.485 139 I HN 0.794 nan 8.210 nan 0.000 0.604 140 G N 6.710 115.258 108.800 -0.420 0.000 2.588 140 G HA2 0.483 4.444 3.960 0.003 0.000 0.281 140 G HA3 0.483 4.444 3.960 0.003 0.000 0.281 140 G C -3.215 171.639 174.900 -0.077 0.000 1.223 140 G CA -0.445 44.559 45.100 -0.159 0.000 0.871 140 G HN 0.155 nan 8.290 nan 0.000 0.492 141 P HA 0.362 nan 4.420 nan 0.000 0.283 141 P C -0.649 176.682 177.300 0.051 0.000 1.278 141 P CA -0.512 62.448 63.100 -0.234 0.000 0.834 141 P CB 0.843 32.260 31.700 -0.470 0.000 1.150 142 H N -0.170 118.967 119.070 0.111 0.000 2.895 142 H HA -0.021 4.537 4.556 0.003 0.000 0.371 142 H C 1.476 176.867 175.328 0.105 0.000 1.219 142 H CA -0.071 56.053 56.048 0.127 0.000 1.431 142 H CB 0.087 29.932 29.762 0.138 0.000 1.414 142 H HN 0.323 nan 8.280 nan 0.000 0.617 143 L N 1.561 122.876 121.223 0.153 0.000 1.978 143 L HA -0.251 4.091 4.340 0.003 0.000 0.218 143 L C 2.358 179.246 176.870 0.029 0.000 1.075 143 L CA 2.023 56.879 54.840 0.027 0.000 0.767 143 L CB -0.419 41.617 42.059 -0.038 0.000 0.890 143 L HN 0.728 nan 8.230 nan 0.000 0.434 144 E N -1.900 118.293 120.200 -0.013 0.000 2.268 144 E HA -0.241 4.111 4.350 0.003 0.000 0.195 144 E C 2.032 178.601 176.600 -0.052 0.000 0.995 144 E CA 1.123 57.484 56.400 -0.066 0.000 0.836 144 E CB -0.866 28.756 29.700 -0.130 0.000 0.763 144 E HN 0.653 nan 8.360 nan 0.000 0.491 145 H N 1.184 120.309 119.070 0.092 0.000 2.321 145 H HA -0.012 4.546 4.556 0.003 0.000 0.300 145 H C 2.416 177.888 175.328 0.240 0.000 1.087 145 H CA 1.312 57.482 56.048 0.203 0.000 1.319 145 H CB -0.216 29.717 29.762 0.285 0.000 1.379 145 H HN 0.142 nan 8.280 nan 0.000 0.501 146 L N 0.586 121.991 121.223 0.304 0.000 2.013 146 L HA -0.210 4.131 4.340 0.003 0.000 0.212 146 L C 2.560 179.524 176.870 0.156 0.000 1.073 146 L CA 1.767 56.740 54.840 0.222 0.000 0.753 146 L CB -0.428 41.688 42.059 0.094 0.000 0.890 146 L HN 0.331 nan 8.230 nan 0.000 0.432 147 D N 0.021 120.464 120.400 0.071 0.000 2.106 147 D HA -0.303 4.339 4.640 0.003 0.000 0.194 147 D C 2.261 178.545 176.300 -0.026 0.000 0.988 147 D CA 2.014 56.023 54.000 0.015 0.000 0.845 147 D CB -0.093 40.692 40.800 -0.025 0.000 0.990 147 D HN 0.249 nan 8.370 nan 0.000 0.448 148 M N -0.668 118.853 119.600 -0.132 0.000 2.538 148 M HA -0.319 4.163 4.480 0.003 0.000 0.254 148 M C 1.330 177.375 176.300 -0.426 0.000 1.002 148 M CA 2.282 57.353 55.300 -0.381 0.000 1.026 148 M CB -0.394 31.825 32.600 -0.635 0.000 1.371 148 M HN 0.171 nan 8.290 nan 0.000 0.441 149 F N -1.701 118.317 119.950 0.113 0.000 2.639 149 F HA 0.327 4.856 4.527 0.003 0.000 0.302 149 F C 1.816 177.667 175.800 0.085 0.000 1.097 149 F CA 0.072 58.136 58.000 0.107 0.000 1.294 149 F CB -0.244 38.829 39.000 0.121 0.000 1.027 149 F HN 0.234 nan 8.300 nan 0.000 0.550 150 G N -0.371 108.539 108.800 0.184 0.000 2.650 150 G HA2 -0.101 3.861 3.960 0.003 0.000 0.214 150 G HA3 -0.101 3.861 3.960 0.003 0.000 0.214 150 G C -0.321 174.636 174.900 0.095 0.000 1.136 150 G CA 0.401 45.582 45.100 0.135 0.000 0.789 150 G HN 0.348 nan 8.290 nan 0.000 0.536 151 D N -1.862 118.588 120.400 0.083 0.000 2.780 151 D HA 0.383 5.025 4.640 0.003 0.000 0.242 151 D C 1.056 177.392 176.300 0.060 0.000 1.135 151 D CA -0.787 53.246 54.000 0.055 0.000 0.859 151 D CB 1.793 42.612 40.800 0.032 0.000 1.530 151 D HN -0.198 nan 8.370 nan 0.000 0.493 152 K N 1.806 122.229 120.400 0.039 0.000 2.113 152 K HA -0.087 4.235 4.320 0.003 0.000 0.208 152 K C 1.471 178.093 176.600 0.036 0.000 1.047 152 K CA 1.696 57.999 56.287 0.027 0.000 0.928 152 K CB -0.201 32.296 32.500 -0.004 0.000 0.716 152 K HN 0.435 nan 8.250 nan 0.000 0.446 153 V N 0.147 120.078 119.914 0.027 0.000 2.256 153 V HA -0.183 3.939 4.120 0.003 0.000 0.240 153 V C 1.951 178.061 176.094 0.028 0.000 1.036 153 V CA 1.741 64.054 62.300 0.022 0.000 1.008 153 V CB -0.506 31.323 31.823 0.010 0.000 0.648 153 V HN 0.213 nan 8.190 nan 0.000 0.453 154 K N 0.855 121.263 120.400 0.014 0.000 2.074 154 K HA -0.182 4.140 4.320 0.003 0.000 0.209 154 K C 2.289 178.885 176.600 -0.008 0.000 1.048 154 K CA 1.692 57.973 56.287 -0.010 0.000 0.926 154 K CB -0.580 31.900 32.500 -0.035 0.000 0.713 154 K HN 0.482 nan 8.250 nan 0.000 0.444 155 A N 1.358 124.208 122.820 0.049 0.000 1.877 155 A HA -0.206 4.116 4.320 0.003 0.000 0.216 155 A C 2.121 179.847 177.584 0.236 0.000 1.186 155 A CA 1.632 53.764 52.037 0.159 0.000 0.620 155 A CB -0.534 18.670 19.000 0.339 0.000 0.822 155 A HN 0.239 nan 8.150 nan 0.000 0.443 156 R N -0.790 119.832 120.500 0.204 0.000 2.103 156 R HA -0.148 4.193 4.340 0.003 0.000 0.242 156 R C 2.075 178.451 176.300 0.127 0.000 1.142 156 R CA 2.169 58.392 56.100 0.204 0.000 0.960 156 R CB -0.526 29.840 30.300 0.110 0.000 0.858 156 R HN 0.559 nan 8.270 nan 0.000 0.439 157 T N -0.683 113.910 114.554 0.065 0.000 2.904 157 T HA -0.084 4.268 4.350 0.003 0.000 0.267 157 T C 1.377 176.081 174.700 0.007 0.000 1.059 157 T CA 1.547 63.663 62.100 0.026 0.000 1.137 157 T CB -0.138 68.733 68.868 0.005 0.000 0.879 157 T HN 0.463 nan 8.240 nan 0.000 0.467 158 T N -0.725 113.825 114.554 -0.006 0.000 3.393 158 T HA 0.697 5.049 4.350 0.003 0.000 0.248 158 T C 1.042 175.733 174.700 -0.016 0.000 0.992 158 T CA 0.137 62.214 62.100 -0.038 0.000 0.929 158 T CB -0.065 68.725 68.868 -0.130 0.000 1.065 158 T HN 0.294 nan 8.240 nan 0.000 0.597 159 A N 0.217 123.028 122.820 -0.014 0.000 2.010 159 A HA 0.491 4.813 4.320 0.003 0.000 0.193 159 A C 1.649 179.205 177.584 -0.046 0.000 1.659 159 A CA -0.226 51.744 52.037 -0.111 0.000 1.175 159 A CB -0.066 18.818 19.000 -0.193 0.000 1.301 159 A HN 0.459 nan 8.150 nan 0.000 0.448 160 I N 0.192 120.770 120.570 0.012 0.000 2.439 160 I HA -0.146 4.025 4.170 0.003 0.000 0.251 160 I C 2.334 178.451 176.117 0.001 0.000 1.139 160 I CA 1.572 62.882 61.300 0.016 0.000 1.438 160 I CB 0.085 38.100 38.000 0.026 0.000 1.085 160 I HN 0.257 nan 8.210 nan 0.000 0.427 161 K N 1.611 122.007 120.400 -0.005 0.000 2.057 161 K HA -0.041 4.280 4.320 0.003 0.000 0.206 161 K C 1.836 178.431 176.600 -0.008 0.000 1.050 161 K CA 1.470 57.753 56.287 -0.008 0.000 0.935 161 K CB -0.178 32.314 32.500 -0.013 0.000 0.715 161 K HN 0.238 nan 8.250 nan 0.000 0.439 162 A N 0.368 123.177 122.820 -0.017 0.000 2.252 162 A HA 0.025 4.347 4.320 0.003 0.000 0.207 162 A C -0.145 177.434 177.584 -0.009 0.000 1.194 162 A CA 0.840 52.868 52.037 -0.014 0.000 0.809 162 A CB -0.341 18.643 19.000 -0.026 0.000 0.814 162 A HN 0.529 nan 8.150 nan 0.000 0.482 163 D N -0.862 119.534 120.400 -0.006 0.000 2.778 163 D HA -0.122 4.520 4.640 0.003 0.000 0.246 163 D C -0.724 175.581 176.300 0.008 0.000 1.107 163 D CA 0.701 54.703 54.000 0.003 0.000 0.732 163 D CB -1.453 39.351 40.800 0.008 0.000 1.055 163 D HN 0.410 nan 8.370 nan 0.000 0.429 164 L N 0.798 122.025 121.223 0.006 0.000 2.354 164 L HA 0.579 4.921 4.340 0.003 0.000 0.264 164 L C -1.855 175.040 176.870 0.043 0.000 1.008 164 L CA -1.775 53.082 54.840 0.029 0.000 0.819 164 L CB 2.107 44.175 42.059 0.015 0.000 1.339 164 L HN -0.074 nan 8.230 nan 0.000 0.420 165 P HA 0.152 nan 4.420 nan 0.000 0.271 165 P C -0.896 176.529 177.300 0.208 0.000 1.233 165 P CA -0.053 63.072 63.100 0.042 0.000 0.764 165 P CB 1.212 32.788 31.700 -0.206 0.000 0.825 166 V N 5.219 125.230 119.914 0.162 0.000 2.769 166 V HA 0.321 4.443 4.120 0.003 0.000 0.312 166 V C 0.742 176.803 176.094 -0.055 0.000 1.061 166 V CA -1.067 61.313 62.300 0.133 0.000 0.931 166 V CB 1.981 33.875 31.823 0.119 0.000 1.010 166 V HN 0.382 nan 8.190 nan 0.000 0.433 167 I N 5.147 125.610 120.570 -0.178 0.000 2.598 167 I HA 0.172 4.343 4.170 0.003 0.000 0.284 167 I C -2.093 173.885 176.117 -0.232 0.000 1.140 167 I CA -1.161 59.892 61.300 -0.412 0.000 1.420 167 I CB 0.237 38.017 38.000 -0.367 0.000 1.387 167 I HN 0.427 nan 8.210 nan 0.000 0.553 168 P HA 0.259 nan 4.420 nan 0.000 0.271 168 P C 0.092 177.335 177.300 -0.096 0.000 1.226 168 P CA -0.003 63.022 63.100 -0.124 0.000 0.765 168 P CB 1.077 32.713 31.700 -0.106 0.000 0.835 169 G N 1.363 110.126 108.800 -0.062 0.000 2.846 169 G HA2 0.458 4.420 3.960 0.003 0.000 0.299 169 G HA3 0.458 4.420 3.960 0.003 0.000 0.299 169 G C -0.564 174.320 174.900 -0.027 0.000 1.242 169 G CA -0.465 44.608 45.100 -0.044 0.000 0.800 169 G HN 0.364 nan 8.290 nan 0.000 0.538 170 T N 0.895 115.437 114.554 -0.020 0.000 2.616 170 T HA 0.374 4.726 4.350 0.003 0.000 0.327 170 T C 0.037 174.731 174.700 -0.010 0.000 1.049 170 T CA 0.673 62.765 62.100 -0.012 0.000 1.022 170 T CB 0.360 69.223 68.868 -0.009 0.000 1.009 170 T HN 0.783 nan 8.240 nan 0.000 0.535 238 Y N 4.736 125.010 120.300 -0.042 0.000 2.729 238 Y HA -0.006 4.546 4.550 0.003 0.000 0.331 238 Y C 0.520 176.424 175.900 0.008 0.000 1.208 238 Y CA 0.150 58.240 58.100 -0.017 0.000 1.521 238 Y CB 0.335 38.794 38.460 -0.002 0.000 1.233 238 Y HN 0.559 nan 8.280 nan 0.000 0.539 239 I N 6.576 127.162 120.570 0.027 0.000 2.556 239 I HA -0.033 4.139 4.170 0.003 0.000 0.284 239 I C -0.147 176.138 176.117 0.281 0.000 1.114 239 I CA 0.028 61.412 61.300 0.141 0.000 1.418 239 I CB 0.278 38.328 38.000 0.082 0.000 1.394 239 I HN 0.547 nan 8.210 nan 0.000 0.552 240 D N 7.929 128.471 120.400 0.236 0.000 2.441 240 D HA 0.108 4.750 4.640 0.003 0.000 0.221 240 D C -0.177 176.223 176.300 0.167 0.000 1.156 240 D CA 0.160 54.281 54.000 0.202 0.000 0.896 240 D CB -0.144 40.744 40.800 0.148 0.000 1.028 240 D HN 0.625 nan 8.370 nan 0.000 0.509 241 N N 3.143 121.948 118.700 0.175 0.000 2.573 241 N HA -0.122 4.620 4.740 0.003 0.000 0.280 241 N C -2.569 173.023 175.510 0.137 0.000 1.187 241 N CA -0.146 52.994 53.050 0.150 0.000 0.717 241 N CB 0.137 38.701 38.487 0.127 0.000 0.899 241 N HN 0.321 nan 8.380 nan 0.000 0.546 242 P HA 0.270 nan 4.420 nan 0.000 0.283 242 P C -0.985 176.396 177.300 0.134 0.000 1.278 242 P CA -0.422 62.761 63.100 0.138 0.000 0.834 242 P CB 1.308 33.103 31.700 0.159 0.000 1.150 243 K N 0.750 121.218 120.400 0.113 0.000 2.265 243 K HA 0.252 4.574 4.320 0.003 0.000 0.267 243 K C -0.656 176.035 176.600 0.152 0.000 0.994 243 K CA -0.611 55.738 56.287 0.104 0.000 0.860 243 K CB 0.204 32.707 32.500 0.005 0.000 1.099 243 K HN 0.496 nan 8.250 nan 0.000 0.448 244 H N 5.010 124.130 119.070 0.083 0.000 2.878 244 H HA 0.210 4.768 4.556 0.003 0.000 0.290 244 H C -0.660 174.718 175.328 0.083 0.000 1.065 244 H CA 0.039 56.138 56.048 0.085 0.000 1.477 244 H CB 0.209 30.021 29.762 0.084 0.000 1.484 244 H HN 0.360 nan 8.280 nan 0.000 0.504 245 I N 4.771 125.220 120.570 -0.201 0.000 2.533 245 I HA 0.285 4.457 4.170 0.003 0.000 0.290 245 I C -0.085 175.965 176.117 -0.112 0.000 1.056 245 I CA -0.651 60.587 61.300 -0.104 0.000 1.057 245 I CB 1.896 39.870 38.000 -0.043 0.000 1.240 245 I HN 0.662 nan 8.210 nan 0.000 0.423 246 E N 3.880 124.047 120.200 -0.055 0.000 2.336 246 E HA 0.726 5.078 4.350 0.003 0.000 0.267 246 E C -1.361 175.271 176.600 0.053 0.000 0.906 246 E CA -0.838 55.556 56.400 -0.009 0.000 0.781 246 E CB 3.370 33.047 29.700 -0.038 0.000 1.261 246 E HN 0.256 nan 8.360 nan 0.000 0.436 247 V N 2.387 122.345 119.914 0.073 0.000 2.443 247 V HA 0.154 4.276 4.120 0.003 0.000 0.293 247 V C -0.680 175.455 176.094 0.068 0.000 1.021 247 V CA -0.869 61.472 62.300 0.068 0.000 0.848 247 V CB 1.524 33.372 31.823 0.041 0.000 0.998 247 V HN 0.574 nan 8.190 nan 0.000 0.424 248 Q N 3.824 123.687 119.800 0.104 0.000 2.286 248 Q HA 0.334 4.676 4.340 0.003 0.000 0.265 248 Q C -0.841 175.220 176.000 0.103 0.000 1.080 248 Q CA 0.527 56.389 55.803 0.099 0.000 0.906 248 Q CB 1.049 29.859 28.738 0.119 0.000 1.227 248 Q HN 0.569 nan 8.270 nan 0.000 0.409 249 V N 6.588 126.540 119.914 0.063 0.000 2.483 249 V HA 0.546 4.668 4.120 0.003 0.000 0.295 249 V C -0.208 175.942 176.094 0.094 0.000 1.035 249 V CA -0.600 61.740 62.300 0.067 0.000 0.896 249 V CB 1.531 33.350 31.823 -0.007 0.000 0.986 249 V HN 0.752 nan 8.190 nan 0.000 0.447 250 I N 4.015 124.644 120.570 0.099 0.000 2.548 250 I HA 0.646 4.818 4.170 0.003 0.000 0.287 250 I C 0.342 176.511 176.117 0.086 0.000 1.103 250 I CA -0.192 61.167 61.300 0.098 0.000 1.049 250 I CB 2.114 40.153 38.000 0.065 0.000 1.232 250 I HN 0.720 nan 8.210 nan 0.000 0.429 251 G N 3.354 112.205 108.800 0.086 0.000 2.685 251 G HA2 0.703 4.665 3.960 0.003 0.000 0.298 251 G HA3 0.703 4.665 3.960 0.003 0.000 0.298 251 G C -1.463 173.427 174.900 -0.017 0.000 1.277 251 G CA -0.292 44.835 45.100 0.045 0.000 0.986 251 G HN 0.578 nan 8.290 nan 0.000 0.487 252 D N -2.193 118.205 120.400 -0.003 0.000 2.726 252 D HA 0.261 4.902 4.640 0.003 0.000 0.241 252 D C 0.075 176.346 176.300 -0.049 0.000 1.150 252 D CA -0.584 53.410 54.000 -0.010 0.000 1.089 252 D CB 0.677 41.520 40.800 0.072 0.000 1.260 252 D HN 0.335 nan 8.370 nan 0.000 0.637 253 E N -1.037 119.142 120.200 -0.035 0.000 2.423 253 E HA 0.113 4.465 4.350 0.003 0.000 0.198 253 E C -0.184 176.116 176.600 -0.500 0.000 1.038 253 E CA -0.174 56.084 56.400 -0.237 0.000 1.011 253 E CB 0.064 29.600 29.700 -0.273 0.000 1.118 253 E HN 0.406 nan 8.360 nan 0.000 0.451 254 H N -0.733 118.344 119.070 0.013 0.000 3.109 254 H HA 0.160 4.718 4.556 0.003 0.000 0.248 254 H C 0.879 176.224 175.328 0.029 0.000 1.177 254 H CA 0.217 56.280 56.048 0.025 0.000 0.977 254 H CB 1.297 31.070 29.762 0.018 0.000 2.165 254 H HN 0.340 nan 8.280 nan 0.000 0.693 255 G N 1.808 110.668 108.800 0.099 0.000 2.160 255 G HA2 -0.275 3.687 3.960 0.003 0.000 0.244 255 G HA3 -0.275 3.687 3.960 0.003 0.000 0.244 255 G C -0.411 174.537 174.900 0.081 0.000 1.022 255 G CA 0.049 45.200 45.100 0.085 0.000 0.741 255 G HN 0.422 nan 8.290 nan 0.000 0.508 256 N N -0.468 118.281 118.700 0.082 0.000 2.417 256 N HA 0.712 5.453 4.740 0.003 0.000 0.274 256 N C -0.541 175.004 175.510 0.058 0.000 0.987 256 N CA -0.525 52.563 53.050 0.064 0.000 0.912 256 N CB 1.405 39.926 38.487 0.057 0.000 1.177 256 N HN 0.204 nan 8.380 nan 0.000 0.490 257 I N 1.645 122.249 120.570 0.058 0.000 2.647 257 I HA 0.482 4.653 4.170 0.003 0.000 0.295 257 I C -0.382 175.765 176.117 0.050 0.000 1.078 257 I CA -1.016 60.323 61.300 0.065 0.000 1.048 257 I CB 1.924 39.979 38.000 0.091 0.000 1.239 257 I HN 0.222 nan 8.210 nan 0.000 0.421 258 V N 1.299 121.239 119.914 0.044 0.000 3.126 258 V HA 0.783 4.905 4.120 0.003 0.000 0.314 258 V C -1.023 175.100 176.094 0.049 0.000 1.138 258 V CA -0.651 61.658 62.300 0.014 0.000 1.034 258 V CB 1.853 33.655 31.823 -0.035 0.000 1.075 258 V HN 0.923 nan 8.190 nan 0.000 0.442 259 H N 0.728 119.776 119.070 -0.037 0.000 2.569 259 H HA 0.781 5.339 4.556 0.003 0.000 0.357 259 H C -0.824 174.489 175.328 -0.026 0.000 1.153 259 H CA -1.251 54.767 56.048 -0.050 0.000 1.193 259 H CB 1.724 31.416 29.762 -0.116 0.000 1.602 259 H HN 0.620 nan 8.280 nan 0.000 0.523 260 L N 3.551 124.812 121.223 0.063 0.000 3.096 260 L HA 0.329 4.671 4.340 0.003 0.000 0.247 260 L C -0.848 176.245 176.870 0.372 0.000 1.321 260 L CA -0.413 54.508 54.840 0.134 0.000 1.044 260 L CB -0.934 41.193 42.059 0.114 0.000 1.434 260 L HN 0.568 nan 8.230 nan 0.000 0.533 261 F N 0.194 120.334 119.950 0.317 0.000 2.183 261 F HA -0.282 4.247 4.527 0.003 0.000 0.318 261 F C 0.944 176.826 175.800 0.136 0.000 0.129 261 F CA 0.876 59.039 58.000 0.272 0.000 0.912 261 F CB -0.196 38.868 39.000 0.107 0.000 4.134 261 F HN 0.506 nan 8.300 nan 0.000 0.137 262 E N 1.913 122.282 120.200 0.283 0.000 2.232 262 E HA 0.649 5.000 4.350 0.003 0.000 0.265 262 E C -0.897 175.781 176.600 0.130 0.000 1.001 262 E CA -0.968 55.511 56.400 0.132 0.000 0.870 262 E CB 2.127 31.857 29.700 0.050 0.000 1.175 262 E HN 0.707 nan 8.360 nan 0.000 0.407 263 R N 1.190 121.745 120.500 0.093 0.000 2.515 263 R HA 0.346 4.688 4.340 0.003 0.000 0.291 263 R C -0.913 175.440 176.300 0.088 0.000 1.046 263 R CA -0.838 55.324 56.100 0.103 0.000 0.914 263 R CB 1.071 31.437 30.300 0.110 0.000 1.191 263 R HN 0.367 nan 8.270 nan 0.000 0.435 264 D N 1.994 122.459 120.400 0.107 0.000 2.443 264 D HA 0.070 4.712 4.640 0.003 0.000 0.239 264 D C -0.233 176.184 176.300 0.195 0.000 1.136 264 D CA -0.133 53.943 54.000 0.126 0.000 0.879 264 D CB 0.989 41.865 40.800 0.126 0.000 1.195 264 D HN 0.682 nan 8.370 nan 0.000 0.443 265 C N 2.043 121.483 119.300 0.233 0.000 3.489 265 C HA 0.163 4.625 4.460 0.003 0.000 0.264 265 C C 1.953 177.120 174.990 0.294 0.000 2.026 265 C CA -0.483 58.702 59.018 0.279 0.000 1.705 265 C CB -0.948 27.001 27.740 0.348 0.000 3.389 265 C HN 0.542 nan 8.230 nan 0.000 0.459 266 S N 1.021 116.915 115.700 0.322 0.000 2.399 266 S HA -0.087 4.385 4.470 0.003 0.000 0.231 266 S C 1.047 175.754 174.600 0.178 0.000 1.022 266 S CA 1.024 59.400 58.200 0.293 0.000 0.983 266 S CB -0.098 63.330 63.200 0.381 0.000 0.803 266 S HN 0.543 nan 8.310 nan 0.000 0.480 267 V N 4.292 124.247 119.914 0.067 0.000 2.266 267 V HA 0.105 4.226 4.120 0.003 0.000 0.240 267 V C 0.213 176.364 176.094 0.094 0.000 1.225 267 V CA 0.088 62.367 62.300 -0.036 0.000 1.237 267 V CB -1.403 30.298 31.823 -0.203 0.000 1.343 267 V HN 0.509 nan 8.190 nan 0.000 0.496 268 Q N 3.322 123.195 119.800 0.123 0.000 2.501 268 Q HA 0.707 5.049 4.340 0.003 0.000 0.288 268 Q C 0.261 176.298 176.000 0.062 0.000 1.051 268 Q CA -1.174 54.669 55.803 0.068 0.000 0.788 268 Q CB 2.050 30.798 28.738 0.016 0.000 1.469 268 Q HN 0.406 nan 8.270 nan 0.000 0.416 269 R N 0.069 120.551 120.500 -0.030 0.000 2.191 269 R HA 0.394 4.736 4.340 0.003 0.000 0.187 269 R C 1.513 177.762 176.300 -0.085 0.000 1.078 269 R CA -0.359 55.696 56.100 -0.076 0.000 1.139 269 R CB 0.230 30.377 30.300 -0.256 0.000 1.120 269 R HN 0.543 nan 8.270 nan 0.000 0.536 270 R N 0.321 120.740 120.500 -0.134 0.000 1.836 270 R HA 0.236 4.578 4.340 0.003 0.000 0.128 270 R C 0.343 176.640 176.300 -0.006 0.000 2.038 270 R CA 0.031 56.038 56.100 -0.155 0.000 1.737 270 R CB 0.374 30.495 30.300 -0.299 0.000 1.399 270 R HN 0.306 nan 8.270 nan 0.000 0.485 271 H N -0.137 118.884 119.070 -0.081 0.000 2.467 271 H HA 0.260 4.818 4.556 0.003 0.000 0.275 271 H C -0.636 174.643 175.328 -0.080 0.000 1.131 271 H CA -0.244 55.755 56.048 -0.081 0.000 0.989 271 H CB 0.922 30.648 29.762 -0.061 0.000 1.696 271 H HN 0.131 nan 8.280 nan 0.000 0.574 272 Q N 2.284 122.080 119.800 -0.008 0.000 2.363 272 Q HA 0.235 4.576 4.340 0.003 0.000 0.265 272 Q C -1.024 174.957 176.000 -0.032 0.000 1.032 272 Q CA -0.885 54.896 55.803 -0.037 0.000 0.746 272 Q CB 0.940 29.622 28.738 -0.094 0.000 1.237 272 Q HN 0.304 nan 8.270 nan 0.000 0.475 273 K N 1.943 122.339 120.400 -0.007 0.000 2.270 273 K HA 0.146 4.468 4.320 0.003 0.000 0.276 273 K C 0.659 177.279 176.600 0.034 0.000 1.023 273 K CA -0.166 56.135 56.287 0.024 0.000 0.955 273 K CB 1.294 33.825 32.500 0.052 0.000 0.975 273 K HN 0.499 nan 8.250 nan 0.000 0.471 274 V N -1.116 118.833 119.914 0.058 0.000 3.250 274 V HA 0.163 4.284 4.120 0.003 0.000 0.240 274 V C 0.234 176.372 176.094 0.074 0.000 1.275 274 V CA -0.218 62.128 62.300 0.076 0.000 1.206 274 V CB 0.742 32.640 31.823 0.125 0.000 0.976 274 V HN 0.353 nan 8.190 nan 0.000 0.467 275 V N 2.252 122.207 119.914 0.068 0.000 2.419 275 V HA 0.601 4.723 4.120 0.003 0.000 0.287 275 V C -1.039 175.141 176.094 0.142 0.000 1.017 275 V CA -0.227 62.109 62.300 0.061 0.000 0.844 275 V CB 1.361 33.143 31.823 -0.068 0.000 1.011 275 V HN 0.469 nan 8.190 nan 0.000 0.429 276 E N 3.159 123.451 120.200 0.154 0.000 2.204 276 E HA 0.715 5.067 4.350 0.003 0.000 0.276 276 E C -0.843 175.897 176.600 0.233 0.000 0.974 276 E CA -0.390 56.123 56.400 0.188 0.000 0.815 276 E CB 2.288 32.070 29.700 0.137 0.000 1.119 276 E HN 0.387 nan 8.360 nan 0.000 0.393 277 V N 1.336 121.411 119.914 0.268 0.000 2.588 277 V HA 0.799 4.921 4.120 0.003 0.000 0.304 277 V C -0.774 175.463 176.094 0.238 0.000 1.042 277 V CA -0.909 61.571 62.300 0.300 0.000 0.877 277 V CB 1.785 33.853 31.823 0.408 0.000 0.996 277 V HN 0.753 nan 8.190 nan 0.000 0.425 278 A N 7.214 130.172 122.820 0.230 0.000 2.343 278 A HA 0.995 5.316 4.320 0.003 0.000 0.308 278 A C -2.853 174.849 177.584 0.197 0.000 1.092 278 A CA -1.649 50.496 52.037 0.181 0.000 0.751 278 A CB 2.039 21.111 19.000 0.121 0.000 1.203 278 A HN 0.568 nan 8.150 nan 0.000 0.452 279 P HA 0.318 nan 4.420 nan 0.000 0.317 279 P C 0.459 177.893 177.300 0.224 0.000 1.307 279 P CA -0.425 62.761 63.100 0.143 0.000 0.749 279 P CB 0.639 32.364 31.700 0.042 0.000 1.377 280 S N -1.510 114.265 115.700 0.124 0.000 2.576 280 S HA 0.095 4.567 4.470 0.003 0.000 0.272 280 S C 1.153 175.786 174.600 0.055 0.000 1.352 280 S CA -0.419 57.799 58.200 0.030 0.000 1.021 280 S CB -0.303 62.869 63.200 -0.047 0.000 0.887 280 S HN 0.156 nan 8.310 nan 0.000 0.542 281 V N 3.420 123.223 119.914 -0.185 0.000 2.484 281 V HA 0.240 4.362 4.120 0.003 0.000 0.236 281 V C 2.301 178.261 176.094 -0.224 0.000 1.062 281 V CA 1.387 63.500 62.300 -0.312 0.000 1.081 281 V CB -1.097 30.282 31.823 -0.740 0.000 0.751 281 V HN 0.975 nan 8.190 nan 0.000 0.484 282 G N -0.350 108.287 108.800 -0.271 0.000 3.042 282 G HA2 0.225 4.187 3.960 0.003 0.000 0.212 282 G HA3 0.225 4.187 3.960 0.003 0.000 0.212 282 G C 0.480 175.289 174.900 -0.151 0.000 1.166 282 G CA -0.195 44.779 45.100 -0.210 0.000 0.767 282 G HN 0.316 nan 8.290 nan 0.000 0.546 283 L N 2.016 123.157 121.223 -0.136 0.000 2.349 283 L HA 0.235 4.577 4.340 0.003 0.000 0.275 283 L C 0.372 177.193 176.870 -0.081 0.000 1.115 283 L CA -0.556 54.217 54.840 -0.113 0.000 0.820 283 L CB 1.342 43.328 42.059 -0.121 0.000 1.135 283 L HN -0.009 nan 8.230 nan 0.000 0.445 284 S N 4.426 120.078 115.700 -0.081 0.000 2.552 284 S HA 0.024 4.496 4.470 0.003 0.000 0.289 284 S C -1.436 173.130 174.600 -0.057 0.000 1.304 284 S CA -0.928 57.234 58.200 -0.063 0.000 1.063 284 S CB 0.448 63.610 63.200 -0.064 0.000 0.848 284 S HN 0.536 nan 8.310 nan 0.000 0.499 285 P HA -0.102 nan 4.420 nan 0.000 0.225 285 P C 1.314 178.593 177.300 -0.036 0.000 1.148 285 P CA 1.060 64.151 63.100 -0.015 0.000 0.779 285 P CB -0.386 31.315 31.700 0.002 0.000 0.780 286 T N -2.351 112.171 114.554 -0.053 0.000 2.814 286 T HA -0.037 4.314 4.350 0.003 0.000 0.254 286 T C 1.842 176.473 174.700 -0.115 0.000 1.037 286 T CA 0.148 62.206 62.100 -0.070 0.000 1.143 286 T CB -1.226 67.610 68.868 -0.054 0.000 0.866 286 T HN -0.144 nan 8.240 nan 0.000 0.431 287 L N 2.043 123.194 121.223 -0.120 0.000 1.997 287 L HA -0.092 4.250 4.340 0.003 0.000 0.216 287 L C 2.738 179.453 176.870 -0.259 0.000 1.074 287 L CA 1.879 56.613 54.840 -0.176 0.000 0.763 287 L CB -1.193 40.777 42.059 -0.148 0.000 0.890 287 L HN 0.318 nan 8.230 nan 0.000 0.434 288 R N -1.069 119.315 120.500 -0.194 0.000 2.117 288 R HA -0.205 4.136 4.340 0.003 0.000 0.243 288 R C 2.124 178.274 176.300 -0.250 0.000 1.143 288 R CA 1.532 57.515 56.100 -0.196 0.000 0.968 288 R CB -0.023 30.232 30.300 -0.074 0.000 0.863 288 R HN 0.529 nan 8.270 nan 0.000 0.444 289 Q N -0.104 119.574 119.800 -0.204 0.000 2.172 289 Q HA -0.073 4.269 4.340 0.003 0.000 0.200 289 Q C 2.036 177.869 176.000 -0.277 0.000 0.964 289 Q CA 1.058 56.734 55.803 -0.211 0.000 0.855 289 Q CB -0.059 28.607 28.738 -0.120 0.000 0.918 289 Q HN 0.346 nan 8.270 nan 0.000 0.444 290 R N -0.061 120.255 120.500 -0.307 0.000 2.115 290 R HA 0.017 4.359 4.340 0.003 0.000 0.226 290 R C 2.309 178.234 176.300 -0.626 0.000 1.100 290 R CA 0.630 56.529 56.100 -0.336 0.000 0.980 290 R CB -0.110 30.056 30.300 -0.224 0.000 0.875 290 R HN 0.247 nan 8.270 nan 0.000 0.445 291 I N -0.254 119.772 120.570 -0.907 0.000 2.202 291 I HA -0.331 3.841 4.170 0.003 0.000 0.242 291 I C 2.336 177.970 176.117 -0.805 0.000 1.091 291 I CA 1.020 61.572 61.300 -1.246 0.000 1.368 291 I CB -0.305 37.074 38.000 -1.035 0.000 1.058 291 I HN 0.212 nan 8.210 nan 0.000 0.410 292 C N 0.551 119.494 119.300 -0.595 0.000 2.440 292 C HA -0.133 4.329 4.460 0.003 0.000 0.278 292 C C 2.442 177.172 174.990 -0.434 0.000 1.295 292 C CA 0.591 59.241 59.018 -0.614 0.000 1.738 292 C CB -1.007 26.144 27.740 -0.981 0.000 1.987 292 C HN 0.511 nan 8.230 nan 0.000 0.492 293 D N 1.193 121.395 120.400 -0.330 0.000 2.104 293 D HA -0.092 4.550 4.640 0.003 0.000 0.194 293 D C 2.316 178.563 176.300 -0.088 0.000 0.994 293 D CA 1.801 55.699 54.000 -0.171 0.000 0.830 293 D CB -0.561 40.163 40.800 -0.127 0.000 0.959 293 D HN 0.468 nan 8.370 nan 0.000 0.452 294 A N 0.819 123.590 122.820 -0.082 0.000 1.933 294 A HA -0.062 4.260 4.320 0.003 0.000 0.218 294 A C 2.281 179.989 177.584 0.207 0.000 1.175 294 A CA 2.221 54.319 52.037 0.103 0.000 0.628 294 A CB -0.699 18.450 19.000 0.248 0.000 0.814 294 A HN 0.240 nan 8.150 nan 0.000 0.444 295 A N -0.196 122.727 122.820 0.172 0.000 1.933 295 A HA -0.035 4.287 4.320 0.003 0.000 0.218 295 A C 1.945 179.549 177.584 0.034 0.000 1.175 295 A CA 1.619 53.772 52.037 0.195 0.000 0.628 295 A CB -0.385 18.715 19.000 0.166 0.000 0.814 295 A HN 0.409 nan 8.150 nan 0.000 0.444 296 I N -0.333 120.231 120.570 -0.010 0.000 2.500 296 I HA -0.149 4.023 4.170 0.003 0.000 0.252 296 I C 2.482 178.611 176.117 0.020 0.000 1.142 296 I CA 0.904 62.209 61.300 0.008 0.000 1.451 296 I CB -1.550 36.456 38.000 0.010 0.000 1.093 296 I HN 0.461 nan 8.210 nan 0.000 0.430 297 Q N 0.275 120.087 119.800 0.019 0.000 2.045 297 Q HA -0.261 4.081 4.340 0.003 0.000 0.206 297 Q C 2.283 178.296 176.000 0.022 0.000 0.991 297 Q CA 1.794 57.612 55.803 0.025 0.000 0.851 297 Q CB -0.271 28.489 28.738 0.036 0.000 0.911 297 Q HN 0.314 nan 8.270 nan 0.000 0.418 298 L N 0.065 121.292 121.223 0.006 0.000 1.976 298 L HA -0.185 4.156 4.340 0.003 0.000 0.209 298 L C 2.217 179.100 176.870 0.021 0.000 1.071 298 L CA 1.876 56.699 54.840 -0.030 0.000 0.746 298 L CB -0.701 41.271 42.059 -0.146 0.000 0.890 298 L HN 0.227 nan 8.230 nan 0.000 0.432 299 M N -0.332 119.268 119.600 -0.000 0.000 2.202 299 M HA -0.185 4.297 4.480 0.003 0.000 0.262 299 M C 2.235 178.615 176.300 0.133 0.000 1.063 299 M CA 1.500 56.820 55.300 0.034 0.000 1.097 299 M CB -0.589 31.988 32.600 -0.039 0.000 1.382 299 M HN 0.417 nan 8.290 nan 0.000 0.413 300 E N -1.127 119.131 120.200 0.097 0.000 2.170 300 E HA -0.133 4.219 4.350 0.003 0.000 0.191 300 E C 1.328 177.992 176.600 0.106 0.000 0.981 300 E CA 0.422 56.885 56.400 0.105 0.000 0.830 300 E CB -0.046 29.698 29.700 0.074 0.000 0.775 300 E HN 0.445 nan 8.360 nan 0.000 0.470 301 N N 0.506 119.259 118.700 0.089 0.000 2.651 301 N HA -0.136 4.606 4.740 0.003 0.000 0.193 301 N C 1.151 176.720 175.510 0.099 0.000 1.149 301 N CA 0.944 54.039 53.050 0.075 0.000 0.933 301 N CB 0.062 38.579 38.487 0.050 0.000 0.974 301 N HN 0.332 nan 8.380 nan 0.000 0.448 302 I N -5.207 115.462 120.570 0.165 0.000 4.390 302 I HA 0.273 4.445 4.170 0.003 0.000 0.334 302 I C -0.325 175.981 176.117 0.316 0.000 1.379 302 I CA -0.490 60.939 61.300 0.216 0.000 1.197 302 I CB 0.219 38.392 38.000 0.288 0.000 1.396 302 I HN -0.201 nan 8.210 nan 0.000 0.511 303 K N 0.321 120.875 120.400 0.256 0.000 3.088 303 K HA -0.297 4.025 4.320 0.003 0.000 0.273 303 K C -0.059 176.716 176.600 0.292 0.000 1.111 303 K CA 0.685 57.113 56.287 0.235 0.000 0.803 303 K CB -2.583 30.025 32.500 0.179 0.000 1.226 303 K HN 0.584 nan 8.250 nan 0.000 0.485 304 Y N 0.754 121.151 120.300 0.162 0.000 2.986 304 Y HA 0.008 4.560 4.550 0.003 0.000 0.342 304 Y C 0.522 176.303 175.900 -0.199 0.000 1.275 304 Y CA 0.587 58.557 58.100 -0.216 0.000 1.527 304 Y CB 0.611 38.982 38.460 -0.150 0.000 1.296 304 Y HN 0.013 nan 8.280 nan 0.000 0.628 305 V N 6.778 125.986 119.914 -1.176 0.000 2.841 305 V HA 0.281 4.403 4.120 0.003 0.000 0.310 305 V C 0.111 175.765 176.094 -0.733 0.000 1.090 305 V CA -0.949 60.926 62.300 -0.707 0.000 0.930 305 V CB 1.604 33.049 31.823 -0.630 0.000 1.014 305 V HN 1.150 nan 8.190 nan 0.000 0.425 306 N N 1.082 119.579 118.700 -0.339 0.000 2.126 306 N HA -0.188 4.553 4.740 0.003 0.000 0.153 306 N C 0.386 175.871 175.510 -0.040 0.000 0.867 306 N CA 1.062 53.998 53.050 -0.189 0.000 0.900 306 N CB -0.634 37.719 38.487 -0.223 0.000 0.957 306 N HN 1.054 nan 8.380 nan 0.000 0.636 307 A N -0.500 122.337 122.820 0.028 0.000 2.645 307 A HA 0.675 4.997 4.320 0.003 0.000 0.245 307 A C 0.972 178.744 177.584 0.314 0.000 1.758 307 A CA 1.680 53.794 52.037 0.129 0.000 0.850 307 A CB -0.610 18.436 19.000 0.076 0.000 1.656 307 A HN 1.859 nan 8.150 nan 0.000 0.641 308 G N -4.037 104.865 108.800 0.170 0.000 2.369 308 G HA2 0.506 4.468 3.960 0.003 0.000 0.295 308 G HA3 0.506 4.468 3.960 0.003 0.000 0.295 308 G C -0.902 173.968 174.900 -0.050 0.000 1.298 308 G CA 0.035 45.161 45.100 0.043 0.000 0.940 308 G HN 1.384 nan 8.290 nan 0.000 0.536 309 T N -0.285 114.176 114.554 -0.156 0.000 3.767 309 T HA 0.447 4.798 4.350 0.003 0.000 0.360 309 T C -0.610 173.978 174.700 -0.186 0.000 1.181 309 T CA -0.369 61.661 62.100 -0.117 0.000 1.110 309 T CB 1.567 70.406 68.868 -0.048 0.000 1.201 309 T HN 1.154 nan 8.240 nan 0.000 0.474 310 V N 3.901 123.717 119.914 -0.163 0.000 2.408 310 V HA 0.305 4.427 4.120 0.003 0.000 0.267 310 V C 0.536 176.489 176.094 -0.236 0.000 1.047 310 V CA -0.465 61.714 62.300 -0.203 0.000 0.937 310 V CB 0.777 32.499 31.823 -0.169 0.000 0.999 310 V HN 0.769 nan 8.190 nan 0.000 0.472 311 E N 4.422 124.438 120.200 -0.307 0.000 2.229 311 E HA 0.469 4.821 4.350 0.003 0.000 0.283 311 E C -1.184 175.155 176.600 -0.435 0.000 1.030 311 E CA -0.122 56.095 56.400 -0.306 0.000 0.836 311 E CB 1.315 30.881 29.700 -0.224 0.000 1.068 311 E HN 0.531 nan 8.360 nan 0.000 0.401 312 F N 2.023 121.914 119.950 -0.099 0.000 2.546 312 F HA 0.389 4.917 4.527 0.003 0.000 0.320 312 F C -0.347 175.448 175.800 -0.008 0.000 1.076 312 F CA -1.114 56.898 58.000 0.019 0.000 0.928 312 F CB 1.321 40.355 39.000 0.057 0.000 1.189 312 F HN 0.248 nan 8.300 nan 0.000 0.465 313 L N 3.209 124.632 121.223 0.333 0.000 2.333 313 L HA 0.723 5.065 4.340 0.003 0.000 0.280 313 L C -1.192 175.822 176.870 0.240 0.000 1.004 313 L CA -0.566 54.434 54.840 0.267 0.000 0.820 313 L CB 1.617 43.840 42.059 0.273 0.000 1.247 313 L HN 0.332 nan 8.230 nan 0.000 0.416 314 V N 3.729 123.728 119.914 0.141 0.000 2.483 314 V HA 0.721 4.843 4.120 0.003 0.000 0.297 314 V C -0.189 175.927 176.094 0.036 0.000 1.027 314 V CA -0.376 61.954 62.300 0.051 0.000 0.855 314 V CB 1.508 33.323 31.823 -0.013 0.000 0.995 314 V HN 0.812 nan 8.190 nan 0.000 0.424 318 D N 0.273 120.653 120.400 -0.033 0.000 2.490 318 D HA 0.152 4.794 4.640 0.003 0.000 0.244 318 D C 0.868 177.159 176.300 -0.016 0.000 0.979 318 D CA 0.243 54.225 54.000 -0.029 0.000 0.924 318 D CB 0.299 41.087 40.800 -0.019 0.000 1.075 318 D HN 0.334 nan 8.370 nan 0.000 0.488 319 E N -0.182 119.978 120.200 -0.066 0.000 2.452 319 E HA 0.160 4.512 4.350 0.003 0.000 0.261 319 E C -0.649 175.734 176.600 -0.361 0.000 0.987 319 E CA 0.003 56.285 56.400 -0.197 0.000 0.926 319 E CB 0.246 29.840 29.700 -0.176 0.000 0.934 319 E HN 0.092 nan 8.360 nan 0.000 0.452 320 F N 2.672 122.218 119.950 -0.673 0.000 2.613 320 F HA 0.695 5.224 4.527 0.003 0.000 0.314 320 F C -1.764 173.602 175.800 -0.724 0.000 1.075 320 F CA -1.175 56.411 58.000 -0.690 0.000 0.945 320 F CB 1.041 39.836 39.000 -0.342 0.000 1.310 320 F HN 0.198 nan 8.300 nan 0.000 0.467 321 F N 1.702 121.771 119.950 0.198 0.000 2.599 321 F HA 0.488 5.017 4.527 0.003 0.000 0.311 321 F C -1.039 175.023 175.800 0.436 0.000 1.076 321 F CA -1.239 56.848 58.000 0.145 0.000 0.937 321 F CB 1.993 41.033 39.000 0.067 0.000 1.282 321 F HN 0.667 nan 8.300 nan 0.000 0.460 322 F N 3.386 123.567 119.950 0.385 0.000 2.420 322 F HA 0.432 4.960 4.527 0.003 0.000 0.352 322 F C 0.057 175.867 175.800 0.016 0.000 1.108 322 F CA -0.479 57.580 58.000 0.098 0.000 1.162 322 F CB 0.527 39.539 39.000 0.020 0.000 1.118 322 F HN 0.312 nan 8.300 nan 0.000 0.510 323 I N 3.406 123.433 120.570 -0.906 0.000 2.731 323 I HA 0.097 4.269 4.170 0.003 0.000 0.235 323 I C 0.509 175.952 176.117 -1.124 0.000 1.064 323 I CA 0.923 61.782 61.300 -0.736 0.000 1.439 323 I CB -0.919 36.889 38.000 -0.320 0.000 1.255 323 I HN 0.731 nan 8.210 nan 0.000 0.446 324 E N -0.225 119.325 120.200 -1.083 0.000 2.447 324 E HA 0.482 4.834 4.350 0.003 0.000 0.279 324 E C -1.722 174.729 176.600 -0.250 0.000 1.053 324 E CA -0.589 55.464 56.400 -0.580 0.000 0.840 324 E CB 2.698 32.254 29.700 -0.240 0.000 1.409 324 E HN -0.166 nan 8.360 nan 0.000 0.461 325 V N 2.357 122.228 119.914 -0.071 0.000 2.419 325 V HA 0.283 4.405 4.120 0.003 0.000 0.287 325 V C -0.887 175.062 176.094 -0.243 0.000 1.017 325 V CA -0.862 61.257 62.300 -0.301 0.000 0.844 325 V CB 1.253 32.518 31.823 -0.929 0.000 1.011 325 V HN 0.682 nan 8.190 nan 0.000 0.429 326 N N 5.916 124.521 118.700 -0.158 0.000 2.462 326 N HA 0.324 5.066 4.740 0.003 0.000 0.242 326 N C -2.753 172.749 175.510 -0.014 0.000 1.010 326 N CA -1.605 51.422 53.050 -0.039 0.000 0.939 326 N CB 2.137 40.621 38.487 -0.004 0.000 1.127 326 N HN 0.309 nan 8.380 nan 0.000 0.509 327 P HA 0.171 nan 4.420 nan 0.000 0.214 327 P C -0.906 176.527 177.300 0.222 0.000 1.826 327 P CA -0.038 63.187 63.100 0.207 0.000 0.977 327 P CB -0.225 31.692 31.700 0.361 0.000 1.930 328 R N -1.450 119.141 120.500 0.152 0.000 2.789 328 R HA 0.444 4.785 4.340 0.003 0.000 0.279 328 R C -0.892 175.467 176.300 0.099 0.000 1.010 328 R CA -1.055 55.121 56.100 0.127 0.000 0.855 328 R CB -0.596 29.799 30.300 0.158 0.000 1.312 328 R HN -0.182 nan 8.270 nan 0.000 0.479 329 V N -0.471 119.501 119.914 0.096 0.000 2.963 329 V HA 0.330 4.452 4.120 0.003 0.000 0.306 329 V C 0.047 176.188 176.094 0.078 0.000 1.077 329 V CA -0.347 61.974 62.300 0.036 0.000 1.124 329 V CB 0.450 32.240 31.823 -0.056 0.000 0.987 329 V HN 0.644 nan 8.190 nan 0.000 0.487 330 Q N 0.730 120.537 119.800 0.012 0.000 2.359 330 Q HA 0.490 4.832 4.340 0.003 0.000 0.275 330 Q C 0.923 176.889 176.000 -0.057 0.000 1.082 330 Q CA -0.788 54.977 55.803 -0.063 0.000 0.849 330 Q CB 2.179 30.899 28.738 -0.030 0.000 1.377 330 Q HN 0.577 nan 8.270 nan 0.000 0.452 331 V N 0.235 119.920 119.914 -0.381 0.000 2.324 331 V HA -0.267 3.855 4.120 0.003 0.000 0.250 331 V C 1.595 177.739 176.094 0.084 0.000 1.060 331 V CA 2.190 64.357 62.300 -0.222 0.000 1.042 331 V CB -0.844 30.774 31.823 -0.341 0.000 0.650 331 V HN 0.884 nan 8.190 nan 0.000 0.450 332 E N 1.686 121.919 120.200 0.055 0.000 2.445 332 E HA -0.152 4.200 4.350 0.003 0.000 0.189 332 E C 1.773 178.423 176.600 0.084 0.000 1.069 332 E CA 0.511 56.949 56.400 0.063 0.000 0.871 332 E CB -0.769 28.963 29.700 0.054 0.000 0.991 332 E HN 0.904 nan 8.360 nan 0.000 0.481 333 H N 1.684 120.766 119.070 0.020 0.000 2.423 333 H HA -0.107 4.451 4.556 0.003 0.000 0.297 333 H C 1.749 177.094 175.328 0.029 0.000 1.075 333 H CA 1.850 57.917 56.048 0.033 0.000 1.342 333 H CB -1.085 28.702 29.762 0.042 0.000 1.395 333 H HN 0.243 nan 8.280 nan 0.000 0.530 334 T N -0.133 113.997 114.554 -0.705 0.000 2.680 334 T HA -0.238 4.114 4.350 0.003 0.000 0.268 334 T C 2.237 176.810 174.700 -0.211 0.000 1.033 334 T CA 1.778 63.575 62.100 -0.505 0.000 1.152 334 T CB -0.936 67.747 68.868 -0.309 0.000 0.859 334 T HN 0.403 nan 8.240 nan 0.000 0.452 335 I N 0.929 121.430 120.570 -0.114 0.000 2.315 335 I HA -0.145 4.027 4.170 0.003 0.000 0.248 335 I C 2.648 178.745 176.117 -0.033 0.000 1.117 335 I CA 1.451 62.729 61.300 -0.038 0.000 1.404 335 I CB -0.274 37.742 38.000 0.026 0.000 1.071 335 I HN 0.331 nan 8.210 nan 0.000 0.419 336 T N -0.026 114.521 114.554 -0.012 0.000 2.812 336 T HA -0.169 4.183 4.350 0.003 0.000 0.264 336 T C 1.625 176.308 174.700 -0.028 0.000 1.042 336 T CA 1.184 63.292 62.100 0.014 0.000 1.140 336 T CB -0.146 68.765 68.868 0.071 0.000 0.870 336 T HN 0.374 nan 8.240 nan 0.000 0.445 337 E N 0.831 121.003 120.200 -0.048 0.000 2.065 337 E HA -0.180 4.172 4.350 0.003 0.000 0.201 337 E C 2.227 178.751 176.600 -0.128 0.000 1.016 337 E CA 1.525 57.886 56.400 -0.064 0.000 0.818 337 E CB -0.223 29.431 29.700 -0.076 0.000 0.749 337 E HN 0.487 nan 8.360 nan 0.000 0.453 338 M N 0.227 119.708 119.600 -0.198 0.000 2.065 338 M HA -0.180 4.302 4.480 0.003 0.000 0.259 338 M C 2.633 178.630 176.300 -0.505 0.000 1.069 338 M CA 1.585 56.649 55.300 -0.393 0.000 1.110 338 M CB -0.633 31.687 32.600 -0.467 0.000 1.328 338 M HN 0.169 nan 8.290 nan 0.000 0.405 339 V N -2.101 117.612 119.914 -0.335 0.000 2.594 339 V HA -0.168 3.954 4.120 0.003 0.000 0.253 339 V C 2.091 178.090 176.094 -0.158 0.000 1.069 339 V CA 2.164 64.346 62.300 -0.197 0.000 1.082 339 V CB -1.776 29.991 31.823 -0.093 0.000 0.680 339 V HN 0.684 nan 8.190 nan 0.000 0.469 340 T N -3.964 110.516 114.554 -0.125 0.000 2.971 340 T HA 0.444 4.796 4.350 0.003 0.000 0.252 340 T C 1.665 176.326 174.700 -0.065 0.000 1.022 340 T CA 1.023 63.073 62.100 -0.084 0.000 0.980 340 T CB 0.477 69.329 68.868 -0.028 0.000 1.044 340 T HN 1.682 nan 8.240 nan 0.000 0.501 341 G N 1.349 110.102 108.800 -0.078 0.000 2.143 341 G HA2 -0.173 3.789 3.960 0.003 0.000 0.248 341 G HA3 -0.173 3.789 3.960 0.003 0.000 0.248 341 G C -0.234 174.650 174.900 -0.027 0.000 0.991 341 G CA 0.162 45.229 45.100 -0.056 0.000 0.689 341 G HN 0.600 nan 8.290 nan 0.000 0.522 342 I N 1.001 121.561 120.570 -0.017 0.000 2.353 342 I HA 0.339 4.511 4.170 0.003 0.000 0.293 342 I C 0.098 176.226 176.117 0.017 0.000 0.992 342 I CA -1.432 59.871 61.300 0.005 0.000 1.268 342 I CB 1.627 39.636 38.000 0.016 0.000 1.387 342 I HN 0.062 nan 8.210 nan 0.000 0.478 343 D N 6.650 127.064 120.400 0.024 0.000 2.402 343 D HA 0.175 4.817 4.640 0.003 0.000 0.235 343 D C 1.189 177.525 176.300 0.060 0.000 1.226 343 D CA 0.166 54.190 54.000 0.040 0.000 0.918 343 D CB 0.608 41.426 40.800 0.031 0.000 1.043 343 D HN 0.416 nan 8.370 nan 0.000 0.506 344 I N 2.697 123.325 120.570 0.097 0.000 2.226 344 I HA -0.248 3.923 4.170 0.003 0.000 0.245 344 I C 2.232 178.396 176.117 0.078 0.000 1.100 344 I CA 0.630 61.995 61.300 0.109 0.000 1.374 344 I CB 0.126 38.237 38.000 0.184 0.000 1.057 344 I HN 0.279 nan 8.210 nan 0.000 0.413 345 V N 0.553 120.515 119.914 0.080 0.000 2.535 345 V HA -0.192 3.930 4.120 0.003 0.000 0.246 345 V C 2.445 178.555 176.094 0.025 0.000 1.045 345 V CA 1.409 63.720 62.300 0.018 0.000 1.058 345 V CB -0.593 31.214 31.823 -0.026 0.000 0.689 345 V HN 0.365 nan 8.190 nan 0.000 0.461 346 K N 0.248 120.668 120.400 0.034 0.000 2.097 346 K HA -0.186 4.136 4.320 0.003 0.000 0.206 346 K C 2.123 178.744 176.600 0.034 0.000 1.049 346 K CA 1.968 58.273 56.287 0.032 0.000 0.933 346 K CB -0.200 32.318 32.500 0.030 0.000 0.717 346 K HN 0.506 nan 8.250 nan 0.000 0.442 347 T N 0.988 115.564 114.554 0.036 0.000 2.777 347 T HA -0.129 4.222 4.350 0.003 0.000 0.266 347 T C 1.735 176.451 174.700 0.026 0.000 1.040 347 T CA 1.002 63.120 62.100 0.030 0.000 1.141 347 T CB -0.125 68.762 68.868 0.032 0.000 0.868 347 T HN 0.337 nan 8.240 nan 0.000 0.444 348 Q N 0.178 120.001 119.800 0.040 0.000 2.133 348 Q HA -0.132 4.210 4.340 0.003 0.000 0.208 348 Q C 2.266 178.277 176.000 0.019 0.000 0.991 348 Q CA 1.474 57.298 55.803 0.036 0.000 0.867 348 Q CB -0.390 28.430 28.738 0.136 0.000 0.911 348 Q HN 0.564 nan 8.270 nan 0.000 0.417 349 I N 0.036 120.639 120.570 0.055 0.000 2.141 349 I HA -0.292 3.880 4.170 0.003 0.000 0.236 349 I C 2.197 178.327 176.117 0.021 0.000 1.071 349 I CA 0.932 62.260 61.300 0.046 0.000 1.345 349 I CB -0.330 37.708 38.000 0.063 0.000 1.066 349 I HN 0.164 nan 8.210 nan 0.000 0.406 350 L N 0.223 121.460 121.223 0.024 0.000 2.127 350 L HA -0.209 4.133 4.340 0.003 0.000 0.211 350 L C 2.516 179.397 176.870 0.018 0.000 1.089 350 L CA 0.917 55.770 54.840 0.021 0.000 0.757 350 L CB -0.562 41.509 42.059 0.021 0.000 0.899 350 L HN 0.127 nan 8.230 nan 0.000 0.434 351 V N -0.290 119.629 119.914 0.008 0.000 2.358 351 V HA -0.250 3.871 4.120 0.003 0.000 0.246 351 V C 2.670 178.752 176.094 -0.020 0.000 1.047 351 V CA 1.717 64.016 62.300 -0.001 0.000 1.035 351 V CB -0.640 31.171 31.823 -0.021 0.000 0.658 351 V HN 0.488 nan 8.190 nan 0.000 0.452 352 A N -0.042 122.755 122.820 -0.038 0.000 1.969 352 A HA -0.013 4.309 4.320 0.003 0.000 0.218 352 A C 2.195 179.771 177.584 -0.012 0.000 1.169 352 A CA 1.614 53.620 52.037 -0.051 0.000 0.635 352 A CB -0.554 18.397 19.000 -0.082 0.000 0.810 352 A HN 0.579 nan 8.150 nan 0.000 0.445 353 A N -1.408 121.416 122.820 0.007 0.000 2.252 353 A HA 0.405 4.727 4.320 0.003 0.000 0.207 353 A C 1.647 179.258 177.584 0.044 0.000 1.194 353 A CA 1.101 53.153 52.037 0.024 0.000 0.809 353 A CB -1.195 17.821 19.000 0.025 0.000 0.814 353 A HN 1.897 nan 8.150 nan 0.000 0.482 354 G N -1.955 106.879 108.800 0.056 0.000 2.160 354 G HA2 0.097 4.059 3.960 0.003 0.000 0.244 354 G HA3 0.097 4.059 3.960 0.003 0.000 0.244 354 G C 0.318 175.323 174.900 0.176 0.000 1.022 354 G CA 0.323 45.500 45.100 0.130 0.000 0.741 354 G HN 1.582 nan 8.290 nan 0.000 0.508 355 A N -0.489 122.384 122.820 0.088 0.000 2.340 355 A HA 0.648 4.970 4.320 0.003 0.000 0.268 355 A C 0.946 178.537 177.584 0.012 0.000 1.100 355 A CA 0.797 52.854 52.037 0.033 0.000 0.803 355 A CB 0.620 19.630 19.000 0.016 0.000 1.043 355 A HN 0.414 nan 8.150 nan 0.000 0.488 356 D N 1.076 121.425 120.400 -0.085 0.000 1.585 356 D HA 0.365 5.007 4.640 0.003 0.000 0.318 356 D C 1.017 177.299 176.300 -0.030 0.000 1.129 356 D CA 2.013 55.949 54.000 -0.106 0.000 0.954 356 D CB -0.367 40.336 40.800 -0.161 0.000 1.611 356 D HN 1.568 nan 8.370 nan 0.000 0.555 357 G N -1.338 107.444 108.800 -0.029 0.000 2.712 357 G HA2 -0.162 3.800 3.960 0.003 0.000 0.683 357 G HA3 -0.162 3.800 3.960 0.003 0.000 0.683 357 G C 0.413 175.302 174.900 -0.018 0.000 1.320 357 G CA 0.177 45.258 45.100 -0.031 0.000 0.847 357 G HN 0.343 nan 8.290 nan 0.000 0.553 358 E N 0.354 120.545 120.200 -0.015 0.000 2.265 358 E HA -0.104 4.248 4.350 0.003 0.000 0.196 358 E C 2.115 178.713 176.600 -0.004 0.000 0.996 358 E CA 1.858 58.252 56.400 -0.008 0.000 0.832 358 E CB 0.086 29.781 29.700 -0.007 0.000 0.756 358 E HN 0.696 nan 8.360 nan 0.000 0.491 359 E N 0.754 120.951 120.200 -0.004 0.000 2.008 359 E HA -0.058 4.294 4.350 0.003 0.000 0.191 359 E C 2.179 178.782 176.600 0.004 0.000 0.986 359 E CA 0.777 57.178 56.400 0.002 0.000 0.807 359 E CB -0.180 29.523 29.700 0.004 0.000 0.766 359 E HN 0.166 nan 8.360 nan 0.000 0.450 360 I N 0.303 120.875 120.570 0.004 0.000 2.286 360 I HA -0.110 4.062 4.170 0.003 0.000 0.245 360 I C 0.186 176.306 176.117 0.004 0.000 1.104 360 I CA 0.217 61.522 61.300 0.007 0.000 1.397 360 I CB -0.478 37.527 38.000 0.009 0.000 1.072 360 I HN 0.147 nan 8.210 nan 0.000 0.417 361 N N 0.815 119.515 118.700 -0.000 0.000 3.975 361 N HA -0.133 4.609 4.740 0.003 0.000 0.313 361 N C -2.712 172.798 175.510 -0.000 0.000 2.165 361 N CA 0.146 53.195 53.050 -0.002 0.000 3.027 361 N CB -0.195 38.291 38.487 -0.001 0.000 0.322 361 N HN 0.077 nan 8.380 nan 0.000 0.812 362 P HA 0.346 nan 4.420 nan 0.000 0.301 362 P C -1.146 176.151 177.300 -0.006 0.000 1.361 362 P CA -0.718 62.380 63.100 -0.003 0.000 0.994 362 P CB 1.341 33.040 31.700 -0.002 0.000 1.234 363 Q N 1.049 120.846 119.800 -0.004 0.000 2.369 363 Q HA -0.104 4.237 4.340 0.003 0.000 0.295 363 Q C 1.309 177.303 176.000 -0.010 0.000 1.075 363 Q CA 0.675 56.475 55.803 -0.004 0.000 0.941 363 Q CB 0.556 29.294 28.738 -0.001 0.000 1.260 363 Q HN 0.351 nan 8.270 nan 0.000 0.417 364 Q N 2.864 122.654 119.800 -0.017 0.000 2.112 364 Q HA -0.186 4.155 4.340 0.003 0.000 0.206 364 Q C -0.102 175.881 176.000 -0.029 0.000 0.987 364 Q CA 1.973 57.751 55.803 -0.042 0.000 0.858 364 Q CB 0.087 28.801 28.738 -0.039 0.000 0.905 364 Q HN 0.585 nan 8.270 nan 0.000 0.420 365 K N 0.634 121.030 120.400 -0.006 0.000 2.989 365 K HA 0.009 4.331 4.320 0.003 0.000 0.264 365 K C -0.608 176.000 176.600 0.015 0.000 1.228 365 K CA 0.558 56.850 56.287 0.009 0.000 1.186 365 K CB 0.103 32.608 32.500 0.009 0.000 1.409 365 K HN 0.237 nan 8.250 nan 0.000 0.271 366 D N -0.651 119.761 120.400 0.019 0.000 1.756 366 D HA 0.104 4.746 4.640 0.003 0.000 0.648 366 D C -0.233 176.084 176.300 0.028 0.000 0.769 366 D CA -0.198 53.812 54.000 0.018 0.000 1.133 366 D CB 0.342 41.146 40.800 0.007 0.000 1.444 366 D HN 0.087 nan 8.370 nan 0.000 0.482 367 I N 1.292 121.884 120.570 0.036 0.000 2.598 367 I HA 0.249 4.421 4.170 0.003 0.000 0.284 367 I C 0.557 176.779 176.117 0.174 0.000 1.140 367 I CA 0.849 62.189 61.300 0.067 0.000 1.420 367 I CB 1.159 39.180 38.000 0.035 0.000 1.387 367 I HN -0.070 nan 8.210 nan 0.000 0.553 368 T N 3.661 118.233 114.554 0.030 0.000 2.681 368 T HA 0.540 4.892 4.350 0.003 0.000 0.296 368 T C -0.767 173.687 174.700 -0.411 0.000 1.157 368 T CA -0.528 61.456 62.100 -0.194 0.000 1.025 368 T CB 1.658 70.454 68.868 -0.120 0.000 1.441 368 T HN 0.655 nan 8.240 nan 0.000 0.504 369 T N 1.048 115.246 114.554 -0.592 0.000 2.823 369 T HA 0.726 5.077 4.350 0.003 0.000 0.279 369 T C -0.815 173.714 174.700 -0.286 0.000 0.998 369 T CA -0.738 61.087 62.100 -0.459 0.000 0.994 369 T CB 1.228 69.740 68.868 -0.595 0.000 0.960 369 T HN 0.483 nan 8.240 nan 0.000 0.448 370 L N 3.605 124.725 121.223 -0.172 0.000 2.280 370 L HA 0.647 4.988 4.340 0.003 0.000 0.287 370 L C 0.822 177.657 176.870 -0.059 0.000 1.023 370 L CA 0.955 55.739 54.840 -0.094 0.000 0.819 370 L CB 0.206 42.261 42.059 -0.008 0.000 1.212 370 L HN 1.295 nan 8.230 nan 0.000 0.420 371 G N 2.905 111.596 108.800 -0.181 0.000 2.575 371 G HA2 -0.314 3.648 3.960 0.003 0.000 0.267 371 G HA3 -0.314 3.648 3.960 0.003 0.000 0.267 371 G C -0.940 173.727 174.900 -0.389 0.000 1.264 371 G CA 0.505 45.477 45.100 -0.214 0.000 0.935 371 G HN 0.649 nan 8.290 nan 0.000 0.568 372 Y N -0.366 119.939 120.300 0.008 0.000 2.576 372 Y HA 0.732 5.283 4.550 0.003 0.000 0.346 372 Y C 0.650 176.600 175.900 0.083 0.000 1.018 372 Y CA -0.157 57.999 58.100 0.094 0.000 1.050 372 Y CB 2.179 40.771 38.460 0.219 0.000 1.280 372 Y HN 1.325 nan 8.280 nan 0.000 0.474 373 A N 1.870 124.868 122.820 0.298 0.000 2.515 373 A HA 0.918 5.240 4.320 0.003 0.000 0.298 373 A C -1.611 176.064 177.584 0.150 0.000 1.059 373 A CA -0.656 51.504 52.037 0.205 0.000 0.698 373 A CB 1.153 20.291 19.000 0.230 0.000 1.289 373 A HN 0.651 nan 8.150 nan 0.000 0.404 374 I N 0.299 120.918 120.570 0.081 0.000 2.686 374 I HA 0.562 4.734 4.170 0.003 0.000 0.295 374 I C -0.503 175.652 176.117 0.062 0.000 1.114 374 I CA -0.596 60.764 61.300 0.099 0.000 1.038 374 I CB 2.406 40.454 38.000 0.080 0.000 1.238 374 I HN 0.795 nan 8.210 nan 0.000 0.420 375 Q N 4.797 124.642 119.800 0.075 0.000 2.310 375 Q HA 0.536 4.877 4.340 0.003 0.000 0.270 375 Q C -1.914 174.111 176.000 0.042 0.000 1.025 375 Q CA -0.471 55.359 55.803 0.046 0.000 0.772 375 Q CB 2.054 30.817 28.738 0.042 0.000 1.253 375 Q HN 0.806 nan 8.270 nan 0.000 0.450 376 C N 5.039 124.355 119.300 0.026 0.000 2.258 376 C HA 0.435 4.896 4.460 0.003 0.000 0.321 376 C C -0.089 174.927 174.990 0.043 0.000 1.168 376 C CA -0.825 58.209 59.018 0.028 0.000 1.531 376 C CB -0.426 27.316 27.740 0.003 0.000 2.095 376 C HN 0.885 nan 8.230 nan 0.000 0.449 377 R N 2.670 123.203 120.500 0.055 0.000 2.345 377 R HA 0.379 4.721 4.340 0.003 0.000 0.331 377 R C -0.774 175.570 176.300 0.072 0.000 1.067 377 R CA 0.088 56.226 56.100 0.064 0.000 0.962 377 R CB 0.108 30.446 30.300 0.063 0.000 0.987 377 R HN 0.669 nan 8.270 nan 0.000 0.451 378 I N 4.393 125.006 120.570 0.072 0.000 2.436 378 I HA 0.007 4.179 4.170 0.003 0.000 0.289 378 I C 1.011 177.175 176.117 0.078 0.000 1.083 378 I CA 0.307 61.650 61.300 0.071 0.000 1.372 378 I CB 0.971 39.009 38.000 0.065 0.000 1.408 378 I HN 0.830 nan 8.210 nan 0.000 0.516 379 T N 0.567 115.161 114.554 0.066 0.000 2.841 379 T HA 0.363 4.715 4.350 0.003 0.000 0.276 379 T C 0.729 175.452 174.700 0.037 0.000 1.003 379 T CA -0.162 61.975 62.100 0.062 0.000 0.995 379 T CB 1.697 70.607 68.868 0.070 0.000 1.260 379 T HN 0.549 nan 8.240 nan 0.000 0.581 380 T N -2.245 112.327 114.554 0.030 0.000 3.176 380 T HA 0.320 4.671 4.350 0.003 0.000 0.263 380 T C 0.044 174.730 174.700 -0.022 0.000 1.021 380 T CA -0.473 61.629 62.100 0.004 0.000 0.905 380 T CB -0.573 68.301 68.868 0.010 0.000 1.057 380 T HN 0.678 nan 8.240 nan 0.000 0.558 381 E N 2.308 122.495 120.200 -0.022 0.000 2.376 381 E HA 0.197 4.549 4.350 0.003 0.000 0.266 381 E C -0.521 175.951 176.600 -0.214 0.000 1.009 381 E CA -0.137 56.227 56.400 -0.061 0.000 0.902 381 E CB 0.449 30.187 29.700 0.063 0.000 0.972 381 E HN 0.247 nan 8.360 nan 0.000 0.439 382 D N 4.633 124.901 120.400 -0.220 0.000 2.456 382 D HA 0.148 4.789 4.640 0.003 0.000 0.219 382 D C -2.034 174.011 176.300 -0.425 0.000 1.126 382 D CA -2.560 51.287 54.000 -0.256 0.000 0.890 382 D CB 1.050 41.769 40.800 -0.134 0.000 1.025 382 D HN 0.102 nan 8.370 nan 0.000 0.511 383 P HA -0.057 nan 4.420 nan 0.000 0.228 383 P C 1.157 178.342 177.300 -0.191 0.000 1.151 383 P CA 0.181 62.672 63.100 -1.015 0.000 0.770 383 P CB 0.329 31.380 31.700 -1.081 0.000 0.786 384 L N -1.219 119.933 121.223 -0.119 0.000 2.418 384 L HA 0.147 4.488 4.340 0.003 0.000 0.218 384 L C 0.824 177.668 176.870 -0.044 0.000 1.125 384 L CA 1.201 56.033 54.840 -0.014 0.000 0.835 384 L CB -0.462 41.588 42.059 -0.014 0.000 0.953 384 L HN -0.061 nan 8.230 nan 0.000 0.454 385 N N 0.152 118.808 118.700 -0.073 0.000 2.813 385 N HA 0.027 4.769 4.740 0.003 0.000 0.282 385 N C -0.583 174.913 175.510 -0.023 0.000 1.748 385 N CA 0.020 53.041 53.050 -0.049 0.000 0.860 385 N CB 0.164 38.622 38.487 -0.048 0.000 1.204 385 N HN -0.022 nan 8.380 nan 0.000 0.490 386 D N 1.319 121.730 120.400 0.018 0.000 2.692 386 D HA -0.254 4.388 4.640 0.003 0.000 0.233 386 D C -0.273 176.160 176.300 0.222 0.000 1.172 386 D CA 0.718 54.785 54.000 0.113 0.000 0.636 386 D CB -1.681 39.139 40.800 0.034 0.000 1.028 386 D HN 0.565 nan 8.370 nan 0.000 0.419 387 F N -3.258 116.657 119.950 -0.058 0.000 3.082 387 F HA -0.354 4.175 4.527 0.003 0.000 0.272 387 F C 1.312 177.073 175.800 -0.065 0.000 0.936 387 F CA 0.674 58.625 58.000 -0.082 0.000 0.920 387 F CB -1.523 37.410 39.000 -0.113 0.000 0.901 387 F HN 0.271 nan 8.300 nan 0.000 0.695 388 M N 3.586 123.213 119.600 0.044 0.000 2.338 388 M HA 0.101 4.583 4.480 0.003 0.000 0.360 388 M C -1.820 174.480 176.300 -0.001 0.000 1.547 388 M CA -0.943 54.364 55.300 0.012 0.000 1.001 388 M CB 0.227 32.818 32.600 -0.014 0.000 2.008 388 M HN -0.156 nan 8.290 nan 0.000 0.464 389 P HA -0.035 nan 4.420 nan 0.000 0.266 389 P C -1.037 176.254 177.300 -0.015 0.000 1.215 389 P CA 0.167 63.269 63.100 0.003 0.000 0.763 389 P CB 0.326 32.029 31.700 0.005 0.000 0.806 390 D N 2.687 123.076 120.400 -0.018 0.000 2.304 390 D HA 0.257 4.899 4.640 0.003 0.000 0.247 390 D C -0.584 175.707 176.300 -0.015 0.000 1.089 390 D CA 0.299 54.286 54.000 -0.022 0.000 0.910 390 D CB 0.998 41.782 40.800 -0.027 0.000 1.199 390 D HN 0.172 nan 8.370 nan 0.000 0.426 391 T N 0.752 115.296 114.554 -0.017 0.000 2.900 391 T HA 0.717 5.069 4.350 0.003 0.000 0.295 391 T C -0.008 174.689 174.700 -0.005 0.000 1.044 391 T CA -0.351 61.742 62.100 -0.011 0.000 0.995 391 T CB 1.821 70.675 68.868 -0.024 0.000 1.072 391 T HN 0.642 nan 8.240 nan 0.000 0.473 392 G N 1.383 110.183 108.800 -0.000 0.000 2.455 392 G HA2 0.424 4.386 3.960 0.003 0.000 0.223 392 G HA3 0.424 4.386 3.960 0.003 0.000 0.223 392 G C -1.424 173.465 174.900 -0.017 0.000 1.226 392 G CA -0.577 44.524 45.100 0.001 0.000 0.948 392 G HN 0.783 nan 8.290 nan 0.000 0.478 393 T N 0.845 115.367 114.554 -0.052 0.000 2.841 393 T HA 0.624 4.975 4.350 0.003 0.000 0.283 393 T C -0.096 174.543 174.700 -0.100 0.000 1.000 393 T CA -0.249 61.797 62.100 -0.089 0.000 0.977 393 T CB 1.823 70.601 68.868 -0.150 0.000 0.979 393 T HN 0.515 nan 8.240 nan 0.000 0.446 394 I N 3.877 124.385 120.570 -0.104 0.000 2.347 394 I HA 0.130 4.302 4.170 0.003 0.000 0.294 394 I C 1.370 177.456 176.117 -0.051 0.000 1.090 394 I CA -0.353 60.906 61.300 -0.068 0.000 1.314 394 I CB 0.557 38.504 38.000 -0.088 0.000 1.423 394 I HN 0.709 nan 8.210 nan 0.000 0.503 395 I N 3.874 124.418 120.570 -0.042 0.000 2.852 395 I HA 0.355 4.527 4.170 0.003 0.000 0.264 395 I C 0.905 177.042 176.117 0.034 0.000 1.179 395 I CA 0.562 61.843 61.300 -0.030 0.000 1.480 395 I CB 0.055 38.016 38.000 -0.065 0.000 1.111 395 I HN 0.427 nan 8.210 nan 0.000 0.441 396 A N -0.147 122.707 122.820 0.057 0.000 2.427 396 A HA 0.697 5.019 4.320 0.003 0.000 0.298 396 A C -1.827 175.845 177.584 0.147 0.000 1.036 396 A CA -0.316 51.775 52.037 0.089 0.000 0.701 396 A CB 0.738 19.767 19.000 0.048 0.000 1.250 396 A HN 0.278 nan 8.150 nan 0.000 0.412 397 Y N 2.390 122.707 120.300 0.029 0.000 2.315 397 Y HA 0.616 5.168 4.550 0.003 0.000 0.324 397 Y C -0.399 175.530 175.900 0.047 0.000 1.062 397 Y CA -0.313 57.809 58.100 0.036 0.000 1.159 397 Y CB 1.273 39.762 38.460 0.049 0.000 1.145 397 Y HN 0.767 nan 8.280 nan 0.000 0.442 398 R N 3.321 123.630 120.500 -0.319 0.000 2.740 398 R HA 0.752 5.093 4.340 0.003 0.000 0.282 398 R C -0.905 175.182 176.300 -0.355 0.000 0.969 398 R CA -0.765 55.210 56.100 -0.208 0.000 0.918 398 R CB 2.322 32.561 30.300 -0.102 0.000 1.175 398 R HN 0.775 nan 8.270 nan 0.000 0.464 399 S N -0.299 115.307 115.700 -0.156 0.000 2.745 399 S HA 0.576 5.048 4.470 0.003 0.000 0.306 399 S C -0.313 174.260 174.600 -0.045 0.000 1.137 399 S CA -0.750 57.384 58.200 -0.112 0.000 0.900 399 S CB 1.949 65.150 63.200 0.003 0.000 1.176 399 S HN 0.499 nan 8.310 nan 0.000 0.520 400 S N -1.183 114.502 115.700 -0.025 0.000 2.694 400 S HA 0.988 5.460 4.470 0.003 0.000 0.286 400 S C 0.365 174.974 174.600 0.014 0.000 1.080 400 S CA 0.194 58.389 58.200 -0.008 0.000 0.953 400 S CB 0.836 64.025 63.200 -0.017 0.000 1.313 400 S HN 1.908 nan 8.310 nan 0.000 0.555 401 G N -1.001 107.809 108.800 0.018 0.000 2.347 401 G HA2 0.477 4.439 3.960 0.003 0.000 0.224 401 G HA3 0.477 4.439 3.960 0.003 0.000 0.224 401 G C 0.473 175.400 174.900 0.046 0.000 1.318 401 G CA 0.279 45.398 45.100 0.032 0.000 1.016 401 G HN 2.127 nan 8.290 nan 0.000 0.469 402 G N -0.824 108.016 108.800 0.066 0.000 2.645 402 G HA2 0.183 4.145 3.960 0.003 0.000 0.246 402 G HA3 0.183 4.145 3.960 0.003 0.000 0.246 402 G C 0.347 175.344 174.900 0.162 0.000 1.322 402 G CA 0.221 45.383 45.100 0.105 0.000 0.898 402 G HN 1.919 nan 8.290 nan 0.000 0.573 403 F N 1.996 121.950 119.950 0.008 0.000 2.629 403 F HA 0.306 4.835 4.527 0.003 0.000 0.377 403 F C 1.770 177.576 175.800 0.010 0.000 1.101 403 F CA 1.569 59.575 58.000 0.009 0.000 1.301 403 F CB 0.246 39.247 39.000 0.002 0.000 1.062 403 F HN 2.115 nan 8.300 nan 0.000 0.583 404 G N 3.717 112.236 108.800 -0.469 0.000 2.168 404 G HA2 -0.255 3.707 3.960 0.003 0.000 0.263 404 G HA3 -0.255 3.707 3.960 0.003 0.000 0.263 404 G C -0.612 174.178 174.900 -0.184 0.000 0.977 404 G CA 0.150 44.939 45.100 -0.519 0.000 0.659 404 G HN 0.747 nan 8.290 nan 0.000 0.533 405 V N 0.633 120.503 119.914 -0.075 0.000 2.487 405 V HA 0.752 4.874 4.120 0.003 0.000 0.298 405 V C 0.379 176.475 176.094 0.003 0.000 1.028 405 V CA -0.693 61.590 62.300 -0.029 0.000 0.860 405 V CB 1.788 33.603 31.823 -0.014 0.000 0.991 405 V HN 0.534 nan 8.190 nan 0.000 0.427 406 R N 4.638 125.139 120.500 0.002 0.000 2.750 406 R HA 0.820 5.161 4.340 0.003 0.000 0.281 406 R C -2.045 174.264 176.300 0.015 0.000 0.972 406 R CA -0.714 55.391 56.100 0.008 0.000 0.912 406 R CB 1.838 32.132 30.300 -0.009 0.000 1.187 406 R HN 0.692 nan 8.270 nan 0.000 0.464 407 L N 3.097 124.336 121.223 0.027 0.000 2.410 407 L HA 0.430 4.772 4.340 0.003 0.000 0.270 407 L C -1.136 175.762 176.870 0.047 0.000 0.983 407 L CA -0.813 54.054 54.840 0.045 0.000 0.822 407 L CB 2.524 44.622 42.059 0.065 0.000 1.285 407 L HN 0.684 nan 8.230 nan 0.000 0.409 408 D N 3.712 124.145 120.400 0.056 0.000 2.438 408 D HA 0.362 5.004 4.640 0.003 0.000 0.257 408 D C -0.061 176.289 176.300 0.084 0.000 1.148 408 D CA -0.142 53.895 54.000 0.062 0.000 0.902 408 D CB 2.155 42.990 40.800 0.058 0.000 1.062 408 D HN 0.539 nan 8.370 nan 0.000 0.518 409 A N 1.066 123.938 122.820 0.087 0.000 2.406 409 A HA 0.596 4.918 4.320 0.003 0.000 0.243 409 A C 0.996 178.635 177.584 0.091 0.000 1.082 409 A CA 0.398 52.499 52.037 0.107 0.000 0.786 409 A CB 0.941 20.002 19.000 0.101 0.000 1.029 409 A HN 0.579 nan 8.150 nan 0.000 0.495 410 G N -1.048 107.818 108.800 0.110 0.000 2.524 410 G HA2 0.314 4.275 3.960 0.003 0.000 0.172 410 G HA3 0.314 4.275 3.960 0.003 0.000 0.172 410 G C 0.053 175.046 174.900 0.154 0.000 1.636 410 G CA 0.424 45.589 45.100 0.107 0.000 0.732 410 G HN 0.536 nan 8.290 nan 0.000 0.753 411 D N 0.866 121.343 120.400 0.128 0.000 2.469 411 D HA 0.243 4.885 4.640 0.003 0.000 0.215 411 D C 0.743 176.975 176.300 -0.113 0.000 1.154 411 D CA 0.048 54.114 54.000 0.110 0.000 0.832 411 D CB 1.241 42.100 40.800 0.099 0.000 1.008 411 D HN 0.303 nan 8.370 nan 0.000 0.506 412 G N 1.120 109.854 108.800 -0.111 0.000 2.335 412 G HA2 0.526 4.488 3.960 0.003 0.000 0.314 412 G HA3 0.526 4.488 3.960 0.003 0.000 0.314 412 G C -0.556 173.845 174.900 -0.832 0.000 1.129 412 G CA -0.397 44.447 45.100 -0.426 0.000 0.912 412 G HN 0.047 nan 8.290 nan 0.000 0.443 413 F N -0.723 118.769 119.950 -0.764 0.000 2.817 413 F HA 0.463 4.992 4.527 0.003 0.000 0.317 413 F C 0.947 176.618 175.800 -0.214 0.000 1.168 413 F CA -1.274 56.328 58.000 -0.663 0.000 0.911 413 F CB 0.690 39.502 39.000 -0.313 0.000 1.337 413 F HN 0.302 nan 8.300 nan 0.000 0.464 414 Q N 0.717 120.640 119.800 0.206 0.000 2.146 414 Q HA -0.111 4.231 4.340 0.003 0.000 0.217 414 Q C 0.793 176.850 176.000 0.094 0.000 1.023 414 Q CA 2.594 58.508 55.803 0.185 0.000 0.903 414 Q CB -0.645 28.209 28.738 0.194 0.000 0.990 414 Q HN 1.014 nan 8.270 nan 0.000 0.413 415 G N -2.761 106.096 108.800 0.095 0.000 3.257 415 G HA2 0.569 4.531 3.960 0.003 0.000 0.205 415 G HA3 0.569 4.531 3.960 0.003 0.000 0.205 415 G C -1.200 173.614 174.900 -0.143 0.000 1.234 415 G CA 0.109 45.211 45.100 0.004 0.000 0.918 415 G HN 0.639 nan 8.290 nan 0.000 0.602 416 A N -0.916 121.881 122.820 -0.038 0.000 2.434 416 A HA 0.045 4.367 4.320 0.003 0.000 0.686 416 A C 0.020 177.523 177.584 -0.134 0.000 0.138 416 A CA 0.494 52.511 52.037 -0.034 0.000 0.027 416 A CB -1.108 17.982 19.000 0.149 0.000 3.972 416 A HN 0.758 nan 8.150 nan 0.000 0.548 417 E N 0.859 121.048 120.200 -0.017 0.000 2.384 417 E HA 0.334 4.686 4.350 0.003 0.000 0.266 417 E C -0.022 176.583 176.600 0.008 0.000 1.012 417 E CA -0.112 56.290 56.400 0.003 0.000 0.901 417 E CB 0.325 30.064 29.700 0.065 0.000 0.967 417 E HN 0.510 nan 8.360 nan 0.000 0.435 418 I N 1.818 122.388 120.570 -0.001 0.000 2.337 418 I HA 0.014 4.185 4.170 0.003 0.000 0.291 418 I C 0.739 176.898 176.117 0.071 0.000 1.046 418 I CA -0.164 61.163 61.300 0.044 0.000 1.324 418 I CB 0.636 38.647 38.000 0.019 0.000 1.409 418 I HN 0.267 nan 8.210 nan 0.000 0.494 419 S N 6.622 122.400 115.700 0.129 0.000 2.617 419 S HA 0.660 5.132 4.470 0.003 0.000 0.283 419 S C -2.377 172.229 174.600 0.010 0.000 1.189 419 S CA -1.398 56.869 58.200 0.112 0.000 1.036 419 S CB 1.234 64.583 63.200 0.249 0.000 1.014 419 S HN 0.508 nan 8.310 nan 0.000 0.522 420 P HA 0.311 nan 4.420 nan 0.000 0.219 420 P C -1.119 175.792 177.300 -0.649 0.000 1.832 420 P CA -0.070 62.837 63.100 -0.322 0.000 1.014 420 P CB -0.754 30.748 31.700 -0.330 0.000 1.939 421 Y N -1.122 119.087 120.300 -0.151 0.000 2.460 421 Y HA 0.253 4.805 4.550 0.003 0.000 0.276 421 Y C 0.588 176.324 175.900 -0.274 0.000 1.119 421 Y CA -0.200 57.713 58.100 -0.311 0.000 1.181 421 Y CB 0.528 38.628 38.460 -0.601 0.000 1.304 421 Y HN -0.028 nan 8.280 nan 0.000 0.536 422 Y N 0.807 121.252 120.300 0.242 0.000 2.509 422 Y HA 0.279 4.830 4.550 0.003 0.000 0.341 422 Y C -0.124 175.842 175.900 0.109 0.000 1.038 422 Y CA -1.930 56.284 58.100 0.190 0.000 1.089 422 Y CB 0.811 39.405 38.460 0.224 0.000 1.241 422 Y HN -0.156 nan 8.280 nan 0.000 0.468 423 D N 1.192 121.746 120.400 0.258 0.000 2.982 423 D HA -0.093 4.549 4.640 0.003 0.000 0.222 423 D C 0.515 176.909 176.300 0.156 0.000 1.124 423 D CA 0.632 54.727 54.000 0.158 0.000 0.810 423 D CB 0.472 41.358 40.800 0.143 0.000 1.152 423 D HN 0.615 nan 8.370 nan 0.000 0.538 424 S N 1.759 117.527 115.700 0.112 0.000 3.110 424 S HA 0.035 4.507 4.470 0.003 0.000 0.253 424 S C 0.457 175.113 174.600 0.093 0.000 1.074 424 S CA -0.644 57.613 58.200 0.095 0.000 1.201 424 S CB -0.343 62.895 63.200 0.063 0.000 0.889 424 S HN 0.373 nan 8.310 nan 0.000 0.490 425 L N 0.699 121.988 121.223 0.110 0.000 2.264 425 L HA 0.510 4.852 4.340 0.003 0.000 0.289 425 L C 0.405 177.339 176.870 0.106 0.000 1.044 425 L CA -0.243 54.661 54.840 0.107 0.000 0.807 425 L CB 0.573 42.704 42.059 0.120 0.000 1.192 425 L HN 0.225 nan 8.230 nan 0.000 0.425 426 L N 4.746 126.031 121.223 0.104 0.000 2.189 426 L HA 0.321 4.663 4.340 0.003 0.000 0.199 426 L C -0.251 176.708 176.870 0.148 0.000 1.074 426 L CA 0.297 55.206 54.840 0.115 0.000 0.783 426 L CB 0.163 42.304 42.059 0.137 0.000 0.955 426 L HN 0.503 nan 8.230 nan 0.000 0.460 427 V N -1.162 118.844 119.914 0.154 0.000 2.851 427 V HA 0.263 4.385 4.120 0.003 0.000 0.307 427 V C -0.817 175.347 176.094 0.116 0.000 1.129 427 V CA -1.050 61.348 62.300 0.163 0.000 0.932 427 V CB 1.928 33.884 31.823 0.222 0.000 1.024 427 V HN 0.033 nan 8.190 nan 0.000 0.426 428 K N 2.908 123.370 120.400 0.103 0.000 2.290 428 K HA 0.480 4.801 4.320 0.003 0.000 0.250 428 K C -0.744 175.889 176.600 0.055 0.000 1.092 428 K CA -0.574 55.759 56.287 0.076 0.000 1.006 428 K CB 0.908 33.455 32.500 0.077 0.000 1.549 428 K HN 0.590 nan 8.250 nan 0.000 0.436 429 L N 2.274 123.525 121.223 0.047 0.000 2.369 429 L HA 0.187 4.529 4.340 0.003 0.000 0.279 429 L C -0.911 175.968 176.870 0.014 0.000 1.108 429 L CA 0.688 55.545 54.840 0.027 0.000 0.852 429 L CB 0.792 42.861 42.059 0.017 0.000 1.169 429 L HN 0.298 nan 8.230 nan 0.000 0.452 430 S N 2.619 118.322 115.700 0.006 0.000 2.557 430 S HA 0.750 5.221 4.470 0.003 0.000 0.291 430 S C -0.438 174.158 174.600 -0.007 0.000 1.116 430 S CA -0.634 57.566 58.200 0.000 0.000 0.992 430 S CB 1.699 64.893 63.200 -0.010 0.000 1.028 430 S HN 0.784 nan 8.310 nan 0.000 0.484 431 T N -0.084 114.464 114.554 -0.010 0.000 2.887 431 T HA 0.776 5.128 4.350 0.003 0.000 0.288 431 T C -0.966 173.741 174.700 0.012 0.000 1.021 431 T CA -0.663 61.418 62.100 -0.032 0.000 1.000 431 T CB 1.628 70.449 68.868 -0.079 0.000 1.034 431 T HN 0.750 nan 8.240 nan 0.000 0.467 432 H N 0.261 119.245 119.070 -0.143 0.000 2.980 432 H HA 0.850 5.408 4.556 0.003 0.000 0.367 432 H C -0.728 174.479 175.328 -0.203 0.000 1.206 432 H CA 0.348 56.316 56.048 -0.133 0.000 1.126 432 H CB 1.674 31.375 29.762 -0.102 0.000 1.838 432 H HN 1.224 nan 8.280 nan 0.000 0.552 433 A N 2.479 124.658 122.820 -1.069 0.000 2.462 433 A HA 0.295 4.617 4.320 0.003 0.000 0.299 433 A C -0.361 176.890 177.584 -0.555 0.000 1.047 433 A CA -0.149 51.425 52.037 -0.771 0.000 0.581 433 A CB -0.417 18.321 19.000 -0.436 0.000 1.466 433 A HN 0.557 nan 8.150 nan 0.000 0.616 434 I N 0.877 121.310 120.570 -0.228 0.000 3.062 434 I HA 0.075 4.247 4.170 0.003 0.000 0.217 434 I C 1.607 177.772 176.117 0.081 0.000 1.045 434 I CA 0.995 62.255 61.300 -0.067 0.000 1.415 434 I CB -0.765 37.231 38.000 -0.008 0.000 1.269 434 I HN 0.747 nan 8.210 nan 0.000 0.414 435 S N 1.099 116.852 115.700 0.088 0.000 2.558 435 S HA -0.092 4.380 4.470 0.003 0.000 0.291 435 S C 0.723 175.394 174.600 0.117 0.000 1.306 435 S CA -0.296 57.988 58.200 0.141 0.000 1.056 435 S CB 0.082 63.324 63.200 0.070 0.000 0.836 435 S HN 0.333 nan 8.310 nan 0.000 0.504 436 F N 2.816 122.711 119.950 -0.091 0.000 2.069 436 F HA -0.102 4.427 4.527 0.003 0.000 0.298 436 F C 2.485 178.224 175.800 -0.101 0.000 1.113 436 F CA 2.212 60.087 58.000 -0.208 0.000 1.214 436 F CB -0.358 38.347 39.000 -0.492 0.000 0.978 436 F HN 0.815 nan 8.300 nan 0.000 0.474 437 K N -0.156 120.282 120.400 0.064 0.000 2.059 437 K HA -0.282 4.040 4.320 0.003 0.000 0.212 437 K C 2.132 178.690 176.600 -0.071 0.000 1.050 437 K CA 1.929 58.223 56.287 0.012 0.000 0.927 437 K CB -0.270 32.255 32.500 0.041 0.000 0.714 437 K HN 0.330 nan 8.250 nan 0.000 0.447 438 Q N -0.068 119.692 119.800 -0.067 0.000 2.002 438 Q HA -0.173 4.168 4.340 0.003 0.000 0.204 438 Q C 2.220 178.126 176.000 -0.158 0.000 0.988 438 Q CA 1.836 57.587 55.803 -0.087 0.000 0.843 438 Q CB -0.565 28.132 28.738 -0.068 0.000 0.908 438 Q HN 0.478 nan 8.270 nan 0.000 0.420 439 A N 1.405 124.092 122.820 -0.222 0.000 1.908 439 A HA -0.238 4.083 4.320 0.003 0.000 0.218 439 A C 2.045 179.463 177.584 -0.277 0.000 1.181 439 A CA 1.797 53.672 52.037 -0.271 0.000 0.627 439 A CB -0.611 18.211 19.000 -0.296 0.000 0.818 439 A HN 0.484 nan 8.150 nan 0.000 0.445 440 E N 0.619 120.602 120.200 -0.362 0.000 2.058 440 E HA -0.283 4.069 4.350 0.003 0.000 0.194 440 E C 1.949 178.482 176.600 -0.112 0.000 0.997 440 E CA 1.860 58.115 56.400 -0.242 0.000 0.801 440 E CB -0.228 29.369 29.700 -0.171 0.000 0.746 440 E HN 0.897 nan 8.360 nan 0.000 0.450 441 E N 0.029 120.173 120.200 -0.093 0.000 2.299 441 E HA -0.082 4.270 4.350 0.003 0.000 0.193 441 E C 1.962 178.524 176.600 -0.064 0.000 0.998 441 E CA 0.283 56.649 56.400 -0.058 0.000 0.851 441 E CB -0.061 29.618 29.700 -0.035 0.000 0.795 441 E HN 0.123 nan 8.360 nan 0.000 0.492 442 K N 0.308 120.654 120.400 -0.091 0.000 2.057 442 K HA -0.148 4.173 4.320 0.003 0.000 0.207 442 K C 2.103 178.656 176.600 -0.079 0.000 1.049 442 K CA 1.629 57.861 56.287 -0.091 0.000 0.931 442 K CB -0.265 32.150 32.500 -0.142 0.000 0.714 442 K HN 0.190 nan 8.250 nan 0.000 0.440 443 M N 1.833 121.379 119.600 -0.089 0.000 2.067 443 M HA -0.154 4.328 4.480 0.003 0.000 0.260 443 M C 2.180 178.442 176.300 -0.063 0.000 1.069 443 M CA 1.497 56.753 55.300 -0.074 0.000 1.117 443 M CB -0.537 32.013 32.600 -0.082 0.000 1.334 443 M HN 0.048 nan 8.290 nan 0.000 0.407 444 V N 0.369 120.246 119.914 -0.061 0.000 2.255 444 V HA -0.259 3.863 4.120 0.003 0.000 0.247 444 V C 2.272 178.339 176.094 -0.045 0.000 1.051 444 V CA 2.434 64.701 62.300 -0.055 0.000 1.018 444 V CB -1.413 30.384 31.823 -0.045 0.000 0.641 444 V HN 0.673 nan 8.190 nan 0.000 0.445 445 R N 0.970 121.447 120.500 -0.039 0.000 2.153 445 R HA 0.081 4.423 4.340 0.003 0.000 0.218 445 R C 2.281 178.562 176.300 -0.032 0.000 1.072 445 R CA 1.839 57.921 56.100 -0.031 0.000 0.990 445 R CB -1.474 28.813 30.300 -0.023 0.000 0.889 445 R HN 0.468 nan 8.270 nan 0.000 0.452 446 S N 0.173 115.851 115.700 -0.036 0.000 2.419 446 S HA 0.052 4.524 4.470 0.003 0.000 0.233 446 S C 1.588 176.164 174.600 -0.039 0.000 1.016 446 S CA 1.067 59.247 58.200 -0.034 0.000 0.974 446 S CB -0.193 62.985 63.200 -0.036 0.000 0.786 446 S HN 0.383 nan 8.310 nan 0.000 0.492 447 L N 0.403 121.601 121.223 -0.042 0.000 2.179 447 L HA 0.084 4.426 4.340 0.003 0.000 0.208 447 L C 2.586 179.429 176.870 -0.044 0.000 1.096 447 L CA 0.894 55.709 54.840 -0.042 0.000 0.779 447 L CB -0.237 41.795 42.059 -0.044 0.000 0.922 447 L HN 0.142 nan 8.230 nan 0.000 0.443 448 R N -0.423 120.053 120.500 -0.041 0.000 2.193 448 R HA -0.119 4.223 4.340 0.003 0.000 0.213 448 R C 1.922 178.198 176.300 -0.039 0.000 1.055 448 R CA 0.706 56.783 56.100 -0.038 0.000 0.995 448 R CB -0.021 30.259 30.300 -0.032 0.000 0.893 448 R HN 0.412 nan 8.270 nan 0.000 0.459 449 E N 0.521 120.697 120.200 -0.041 0.000 2.112 449 E HA -0.069 4.283 4.350 0.003 0.000 0.190 449 E C 0.177 176.737 176.600 -0.066 0.000 0.979 449 E CA 0.118 56.492 56.400 -0.043 0.000 0.814 449 E CB 0.197 29.877 29.700 -0.033 0.000 0.762 449 E HN -0.050 nan 8.360 nan 0.000 0.460 450 M N 1.506 121.058 119.600 -0.080 0.000 2.290 450 M HA 0.003 4.484 4.480 0.003 0.000 0.356 450 M C -0.593 175.630 176.300 -0.129 0.000 1.448 450 M CA 0.798 56.021 55.300 -0.128 0.000 0.993 450 M CB 0.460 32.994 32.600 -0.110 0.000 1.934 450 M HN -0.196 nan 8.290 nan 0.000 0.461 451 R N 4.613 125.005 120.500 -0.180 0.000 2.502 451 R HA 0.730 5.072 4.340 0.003 0.000 0.300 451 R C -1.890 174.315 176.300 -0.158 0.000 0.984 451 R CA -0.199 55.822 56.100 -0.132 0.000 0.882 451 R CB 0.986 31.235 30.300 -0.086 0.000 1.180 451 R HN 0.791 nan 8.270 nan 0.000 0.444 452 I N 4.632 125.151 120.570 -0.085 0.000 2.512 452 I HA 0.521 4.693 4.170 0.003 0.000 0.287 452 I C -0.248 175.868 176.117 -0.003 0.000 1.069 452 I CA -0.824 60.461 61.300 -0.025 0.000 1.056 452 I CB 1.539 39.541 38.000 0.005 0.000 1.229 452 I HN 0.367 nan 8.210 nan 0.000 0.429 453 R N 3.084 123.592 120.500 0.013 0.000 2.943 453 R HA 0.714 5.055 4.340 0.003 0.000 0.246 453 R C 0.904 177.200 176.300 -0.007 0.000 1.201 453 R CA -0.194 55.906 56.100 -0.000 0.000 1.056 453 R CB 0.842 31.142 30.300 -0.000 0.000 1.243 453 R HN 0.821 nan 8.270 nan 0.000 0.498 454 G N -0.346 108.440 108.800 -0.024 0.000 2.609 454 G HA2 -0.323 3.639 3.960 0.003 0.000 0.235 454 G HA3 -0.323 3.639 3.960 0.003 0.000 0.235 454 G C 0.090 174.970 174.900 -0.034 0.000 1.177 454 G CA 0.636 45.709 45.100 -0.045 0.000 0.707 454 G HN 0.729 nan 8.290 nan 0.000 0.513 455 V N -1.021 118.880 119.914 -0.022 0.000 2.715 455 V HA 0.830 4.952 4.120 0.003 0.000 0.310 455 V C 0.135 176.218 176.094 -0.018 0.000 1.054 455 V CA -1.088 61.201 62.300 -0.018 0.000 0.928 455 V CB 1.653 33.468 31.823 -0.013 0.000 1.007 455 V HN 0.372 nan 8.190 nan 0.000 0.437 456 K N 3.388 123.772 120.400 -0.025 0.000 2.368 456 K HA 0.460 4.782 4.320 0.003 0.000 0.282 456 K C 0.448 177.026 176.600 -0.037 0.000 1.035 456 K CA 0.292 56.557 56.287 -0.035 0.000 0.973 456 K CB 0.818 33.289 32.500 -0.047 0.000 0.957 456 K HN 1.030 nan 8.250 nan 0.000 0.474 457 T N -1.612 112.920 114.554 -0.037 0.000 2.919 457 T HA 0.181 4.533 4.350 0.003 0.000 0.282 457 T C 0.754 175.418 174.700 -0.060 0.000 1.020 457 T CA -1.034 61.047 62.100 -0.031 0.000 0.994 457 T CB 0.896 69.758 68.868 -0.009 0.000 1.180 457 T HN 0.626 nan 8.240 nan 0.000 0.566 458 N N -0.201 118.471 118.700 -0.047 0.000 2.322 458 N HA 0.077 4.818 4.740 0.003 0.000 0.194 458 N C 1.205 176.739 175.510 0.039 0.000 1.126 458 N CA -0.063 52.948 53.050 -0.066 0.000 0.845 458 N CB -0.623 37.829 38.487 -0.058 0.000 0.976 458 N HN 0.699 nan 8.380 nan 0.000 0.475 459 I N 1.426 122.009 120.570 0.021 0.000 2.179 459 I HA -0.117 4.055 4.170 0.003 0.000 0.242 459 I C -0.509 175.622 176.117 0.023 0.000 1.088 459 I CA 1.070 62.384 61.300 0.024 0.000 1.357 459 I CB -1.181 36.816 38.000 -0.006 0.000 1.051 459 I HN 0.071 nan 8.210 nan 0.000 0.409 460 P HA -0.228 nan 4.420 nan 0.000 0.218 460 P C 1.780 179.081 177.300 0.002 0.000 1.148 460 P CA 1.566 64.665 63.100 -0.003 0.000 0.822 460 P CB -0.242 31.454 31.700 -0.006 0.000 0.784 461 F N 1.106 120.989 119.950 -0.112 0.000 2.095 461 F HA -0.187 4.341 4.527 0.003 0.000 0.298 461 F C 2.224 177.954 175.800 -0.115 0.000 1.104 461 F CA 1.472 59.391 58.000 -0.134 0.000 1.232 461 F CB -0.911 38.002 39.000 -0.145 0.000 0.987 461 F HN -0.298 nan 8.300 nan 0.000 0.475 462 L N 0.005 121.289 121.223 0.102 0.000 2.042 462 L HA -0.256 4.086 4.340 0.003 0.000 0.210 462 L C 2.466 179.237 176.870 -0.164 0.000 1.076 462 L CA 1.531 56.352 54.840 -0.032 0.000 0.749 462 L CB -0.833 41.245 42.059 0.032 0.000 0.893 462 L HN 0.212 nan 8.230 nan 0.000 0.432 463 I N 0.184 120.683 120.570 -0.119 0.000 2.118 463 I HA -0.333 3.839 4.170 0.003 0.000 0.241 463 I C 2.159 178.171 176.117 -0.174 0.000 1.070 463 I CA 1.440 62.665 61.300 -0.124 0.000 1.327 463 I CB -0.454 37.497 38.000 -0.081 0.000 1.034 463 I HN 0.330 nan 8.210 nan 0.000 0.405 464 N N 0.155 118.719 118.700 -0.227 0.000 2.364 464 N HA -0.109 4.633 4.740 0.003 0.000 0.183 464 N C 1.713 177.036 175.510 -0.312 0.000 1.022 464 N CA 0.894 53.788 53.050 -0.260 0.000 0.883 464 N CB -0.273 38.032 38.487 -0.303 0.000 0.965 464 N HN 0.205 nan 8.380 nan 0.000 0.438 465 V N 0.680 120.348 119.914 -0.410 0.000 2.446 465 V HA -0.074 4.047 4.120 0.003 0.000 0.244 465 V C 2.222 178.090 176.094 -0.377 0.000 1.039 465 V CA 0.980 63.042 62.300 -0.396 0.000 1.045 465 V CB -0.241 31.287 31.823 -0.493 0.000 0.681 465 V HN 0.215 nan 8.190 nan 0.000 0.459 466 M N -0.302 119.081 119.600 -0.362 0.000 2.086 466 M HA -0.089 4.393 4.480 0.003 0.000 0.261 466 M C 1.825 178.120 176.300 -0.007 0.000 1.067 466 M CA 1.587 56.742 55.300 -0.242 0.000 1.116 466 M CB -0.996 31.503 32.600 -0.168 0.000 1.348 466 M HN 0.171 nan 8.290 nan 0.000 0.407 467 K N 0.707 121.083 120.400 -0.040 0.000 2.522 467 K HA 0.093 4.415 4.320 0.003 0.000 0.194 467 K C 0.265 176.885 176.600 0.034 0.000 1.026 467 K CA -0.072 56.220 56.287 0.009 0.000 1.119 467 K CB -0.446 32.041 32.500 -0.023 0.000 0.856 467 K HN 0.346 nan 8.250 nan 0.000 0.513 468 N N 1.613 120.351 118.700 0.063 0.000 2.434 468 N HA 0.040 4.782 4.740 0.003 0.000 0.272 468 N C 0.670 176.299 175.510 0.198 0.000 1.040 468 N CA 0.012 53.125 53.050 0.106 0.000 0.956 468 N CB 0.961 39.508 38.487 0.099 0.000 1.108 468 N HN -0.037 nan 8.380 nan 0.000 0.481 469 K N 2.600 123.084 120.400 0.140 0.000 2.103 469 K HA -0.143 4.179 4.320 0.003 0.000 0.207 469 K C 1.276 177.976 176.600 0.168 0.000 1.048 469 K CA 1.367 57.732 56.287 0.130 0.000 0.930 469 K CB 0.138 32.686 32.500 0.080 0.000 0.716 469 K HN 0.542 nan 8.250 nan 0.000 0.444 470 K N -0.263 120.275 120.400 0.230 0.000 2.281 470 K HA -0.168 4.154 4.320 0.003 0.000 0.203 470 K C 1.832 178.645 176.600 0.356 0.000 1.046 470 K CA 1.225 57.702 56.287 0.317 0.000 0.938 470 K CB -0.132 32.653 32.500 0.474 0.000 0.737 470 K HN 0.140 nan 8.250 nan 0.000 0.458 471 F N 1.624 121.686 119.950 0.187 0.000 2.220 471 F HA -0.142 4.387 4.527 0.003 0.000 0.290 471 F C 2.333 178.231 175.800 0.163 0.000 1.080 471 F CA 1.326 59.368 58.000 0.070 0.000 1.318 471 F CB -0.299 38.695 39.000 -0.011 0.000 1.063 471 F HN -0.036 nan 8.300 nan 0.000 0.498 472 T N -1.333 113.308 114.554 0.144 0.000 2.849 472 T HA -0.194 4.158 4.350 0.003 0.000 0.270 472 T C 2.063 176.633 174.700 -0.216 0.000 1.066 472 T CA 1.205 63.329 62.100 0.040 0.000 1.130 472 T CB -1.173 67.799 68.868 0.173 0.000 0.864 472 T HN 0.398 nan 8.240 nan 0.000 0.481 473 S N 1.252 116.872 115.700 -0.134 0.000 2.469 473 S HA 0.208 4.680 4.470 0.003 0.000 0.238 473 S C 2.153 176.554 174.600 -0.332 0.000 0.998 473 S CA 0.663 58.758 58.200 -0.175 0.000 0.957 473 S CB -1.095 62.063 63.200 -0.070 0.000 0.764 473 S HN 1.208 nan 8.310 nan 0.000 0.514 474 G N 1.720 110.231 108.800 -0.482 0.000 2.184 474 G HA2 -0.232 3.730 3.960 0.003 0.000 0.264 474 G HA3 -0.232 3.730 3.960 0.003 0.000 0.264 474 G C -0.539 173.945 174.900 -0.693 0.000 0.975 474 G CA 0.238 44.923 45.100 -0.692 0.000 0.642 474 G HN 0.881 nan 8.290 nan 0.000 0.536 475 D N -0.521 119.560 120.400 -0.531 0.000 2.620 475 D HA 0.628 5.270 4.640 0.003 0.000 0.252 475 D C -0.237 175.868 176.300 -0.325 0.000 1.207 475 D CA -0.910 52.788 54.000 -0.504 0.000 0.884 475 D CB 0.521 41.160 40.800 -0.269 0.000 1.262 475 D HN 0.687 nan 8.370 nan 0.000 0.552 476 Y N -1.336 118.875 120.300 -0.149 0.000 2.638 476 Y HA 0.780 5.332 4.550 0.003 0.000 0.335 476 Y C -0.395 175.466 175.900 -0.066 0.000 1.155 476 Y CA -1.364 56.655 58.100 -0.136 0.000 1.046 476 Y CB 1.360 39.568 38.460 -0.421 0.000 1.303 476 Y HN 0.393 nan 8.280 nan 0.000 0.460 477 T N -3.718 110.986 114.554 0.250 0.000 2.888 477 T HA 0.335 4.686 4.350 0.003 0.000 0.288 477 T C 0.886 175.729 174.700 0.239 0.000 1.063 477 T CA -0.173 62.052 62.100 0.208 0.000 1.010 477 T CB 1.127 70.094 68.868 0.165 0.000 1.214 477 T HN 1.015 nan 8.240 nan 0.000 0.533 478 T N -0.659 114.012 114.554 0.195 0.000 2.624 478 T HA -0.096 4.256 4.350 0.003 0.000 0.268 478 T C 0.825 175.643 174.700 0.196 0.000 1.041 478 T CA 0.802 63.002 62.100 0.166 0.000 1.159 478 T CB -0.701 68.233 68.868 0.110 0.000 0.863 478 T HN 0.508 nan 8.240 nan 0.000 0.434 479 K N 1.545 122.062 120.400 0.195 0.000 2.378 479 K HA 0.347 4.669 4.320 0.003 0.000 0.288 479 K C -0.280 176.503 176.600 0.304 0.000 1.057 479 K CA -0.025 56.384 56.287 0.203 0.000 0.971 479 K CB 0.966 33.563 32.500 0.162 0.000 0.975 479 K HN 0.533 nan 8.250 nan 0.000 0.475 480 F N 2.456 122.466 119.950 0.100 0.000 2.065 480 F HA 0.024 4.553 4.527 0.003 0.000 0.343 480 F C 0.974 176.821 175.800 0.077 0.000 0.923 480 F CA -0.030 58.026 58.000 0.093 0.000 1.107 480 F CB -0.039 39.017 39.000 0.093 0.000 1.331 480 F HN 0.231 nan 8.300 nan 0.000 0.578 481 I N 1.401 121.966 120.570 -0.009 0.000 2.493 481 I HA -0.117 4.055 4.170 0.003 0.000 0.254 481 I C 1.455 177.624 176.117 0.088 0.000 1.160 481 I CA 1.365 62.647 61.300 -0.031 0.000 1.445 481 I CB -1.413 36.695 38.000 0.179 0.000 1.086 481 I HN 0.313 nan 8.210 nan 0.000 0.433 482 E N 0.973 121.231 120.200 0.096 0.000 2.170 482 E HA -0.064 4.288 4.350 0.003 0.000 0.191 482 E C 2.105 178.742 176.600 0.062 0.000 0.981 482 E CA 0.484 56.948 56.400 0.105 0.000 0.830 482 E CB -0.099 29.658 29.700 0.095 0.000 0.775 482 E HN 0.467 nan 8.360 nan 0.000 0.470 483 E N 0.291 120.507 120.200 0.027 0.000 2.072 483 E HA -0.015 4.337 4.350 0.003 0.000 0.190 483 E C 0.044 176.618 176.600 -0.044 0.000 0.982 483 E CA 0.963 57.369 56.400 0.009 0.000 0.803 483 E CB 0.136 29.862 29.700 0.043 0.000 0.755 483 E HN 0.106 nan 8.360 nan 0.000 0.453 484 T N 3.100 117.557 114.554 -0.161 0.000 2.738 484 T HA 0.114 4.466 4.350 0.003 0.000 0.298 484 T C -1.839 172.809 174.700 -0.085 0.000 0.962 484 T CA -1.431 60.550 62.100 -0.198 0.000 0.972 484 T CB 1.610 70.206 68.868 -0.454 0.000 0.928 484 T HN 0.050 nan 8.240 nan 0.000 0.474 485 P HA -0.025 nan 4.420 nan 0.000 0.217 485 P C 0.844 178.187 177.300 0.071 0.000 1.154 485 P CA 0.859 64.017 63.100 0.096 0.000 0.841 485 P CB 0.305 32.044 31.700 0.065 0.000 0.788 486 E N -0.176 120.008 120.200 -0.026 0.000 2.455 486 E HA -0.109 4.243 4.350 0.003 0.000 0.202 486 E C 1.585 178.111 176.600 -0.123 0.000 1.045 486 E CA 0.490 56.860 56.400 -0.049 0.000 0.872 486 E CB -0.858 28.805 29.700 -0.062 0.000 0.792 486 E HN 0.159 nan 8.360 nan 0.000 0.542 487 L N -0.921 120.159 121.223 -0.239 0.000 2.313 487 L HA -0.005 4.337 4.340 0.003 0.000 0.214 487 L C 1.016 177.627 176.870 -0.433 0.000 1.119 487 L CA 1.269 55.815 54.840 -0.489 0.000 0.809 487 L CB -0.251 41.348 42.059 -0.766 0.000 0.933 487 L HN 0.153 nan 8.230 nan 0.000 0.449 488 F N -1.383 118.596 119.950 0.049 0.000 2.693 488 F HA 0.174 4.703 4.527 0.003 0.000 0.303 488 F C 0.479 176.299 175.800 0.033 0.000 1.097 488 F CA -0.452 57.603 58.000 0.092 0.000 1.330 488 F CB -0.169 38.891 39.000 0.100 0.000 1.067 488 F HN -0.042 nan 8.300 nan 0.000 0.565 489 D N 1.849 122.315 120.400 0.110 0.000 2.973 489 D HA 0.192 4.834 4.640 0.003 0.000 0.263 489 D C 0.240 176.550 176.300 0.018 0.000 1.266 489 D CA -0.041 53.994 54.000 0.059 0.000 0.975 489 D CB -0.085 40.736 40.800 0.035 0.000 1.032 489 D HN 0.196 nan 8.370 nan 0.000 0.510 490 I N -1.256 119.332 120.570 0.029 0.000 2.532 490 I HA 0.353 4.525 4.170 0.003 0.000 0.292 490 I C -0.064 176.061 176.117 0.013 0.000 1.014 490 I CA -0.615 60.690 61.300 0.008 0.000 1.340 490 I CB 1.168 39.175 38.000 0.012 0.000 1.422 490 I HN -0.166 nan 8.210 nan 0.000 0.528 491 Q N 6.570 126.371 119.800 0.002 0.000 2.331 491 Q HA 0.565 4.907 4.340 0.003 0.000 0.267 491 Q C -2.831 173.167 176.000 -0.003 0.000 1.006 491 Q CA -1.812 53.993 55.803 0.003 0.000 0.818 491 Q CB 1.183 29.923 28.738 0.003 0.000 1.276 491 Q HN 0.684 nan 8.270 nan 0.000 0.450 492 P HA 0.038 nan 4.420 nan 0.000 0.267 492 P C -0.438 176.855 177.300 -0.011 0.000 1.201 492 P CA -0.111 62.984 63.100 -0.009 0.000 0.775 492 P CB 0.558 32.252 31.700 -0.011 0.000 0.854 493 S N 0.901 116.593 115.700 -0.013 0.000 2.505 493 S HA 0.153 4.624 4.470 0.003 0.000 0.276 493 S C 0.249 174.841 174.600 -0.013 0.000 1.274 493 S CA -0.480 57.712 58.200 -0.013 0.000 1.053 493 S CB -0.335 62.856 63.200 -0.016 0.000 0.919 493 S HN 0.223 nan 8.310 nan 0.000 0.490 494 L N 4.301 125.517 121.223 -0.010 0.000 2.699 494 L HA 0.086 4.428 4.340 0.003 0.000 0.283 494 L C 0.862 177.727 176.870 -0.008 0.000 1.166 494 L CA 0.238 55.072 54.840 -0.009 0.000 1.043 494 L CB -0.903 41.152 42.059 -0.006 0.000 1.369 494 L HN 0.495 nan 8.230 nan 0.000 0.462 495 D N 2.028 122.424 120.400 -0.007 0.000 2.934 495 D HA 0.015 4.657 4.640 0.003 0.000 0.237 495 D C 1.218 177.521 176.300 0.004 0.000 1.158 495 D CA 0.063 54.061 54.000 -0.004 0.000 0.971 495 D CB 0.148 40.945 40.800 -0.004 0.000 1.123 495 D HN 0.334 nan 8.370 nan 0.000 0.467 496 R N -0.053 120.448 120.500 0.001 0.000 2.328 496 R HA 0.135 4.477 4.340 0.003 0.000 0.200 496 R C 1.718 178.017 176.300 -0.001 0.000 0.983 496 R CA 0.434 56.538 56.100 0.005 0.000 1.062 496 R CB 0.441 30.741 30.300 -0.000 0.000 0.956 496 R HN 0.285 nan 8.270 nan 0.000 0.479 497 G N 0.076 108.872 108.800 -0.007 0.000 2.615 497 G HA2 -0.144 3.818 3.960 0.003 0.000 0.213 497 G HA3 -0.144 3.818 3.960 0.003 0.000 0.213 497 G C 1.256 176.140 174.900 -0.026 0.000 1.215 497 G CA 0.287 45.373 45.100 -0.023 0.000 0.843 497 G HN 0.117 nan 8.290 nan 0.000 0.571 498 T N 1.414 115.965 114.554 -0.005 0.000 2.685 498 T HA -0.176 4.176 4.350 0.003 0.000 0.268 498 T C 2.275 177.006 174.700 0.052 0.000 1.034 498 T CA 1.786 63.896 62.100 0.016 0.000 1.149 498 T CB -0.215 68.667 68.868 0.023 0.000 0.860 498 T HN 0.265 nan 8.240 nan 0.000 0.449 499 K N 0.482 120.924 120.400 0.070 0.000 2.026 499 K HA -0.080 4.242 4.320 0.003 0.000 0.208 499 K C 2.713 179.416 176.600 0.172 0.000 1.048 499 K CA 1.622 58.000 56.287 0.152 0.000 0.929 499 K CB -0.420 32.151 32.500 0.119 0.000 0.713 499 K HN 0.300 nan 8.250 nan 0.000 0.439 500 T N 2.148 116.744 114.554 0.070 0.000 2.652 500 T HA -0.129 4.223 4.350 0.003 0.000 0.267 500 T C 1.865 176.563 174.700 -0.004 0.000 1.039 500 T CA 1.220 63.343 62.100 0.037 0.000 1.153 500 T CB -0.331 68.525 68.868 -0.019 0.000 0.863 500 T HN 0.104 nan 8.240 nan 0.000 0.428 501 L N 0.833 121.985 121.223 -0.118 0.000 2.081 501 L HA -0.141 4.201 4.340 0.003 0.000 0.212 501 L C 2.944 179.860 176.870 0.076 0.000 1.080 501 L CA 1.300 55.999 54.840 -0.234 0.000 0.754 501 L CB -0.686 41.163 42.059 -0.350 0.000 0.893 501 L HN 0.235 nan 8.230 nan 0.000 0.433 502 E N -0.303 119.971 120.200 0.124 0.000 2.051 502 E HA -0.265 4.086 4.350 0.003 0.000 0.192 502 E C 2.039 178.684 176.600 0.075 0.000 0.991 502 E CA 1.707 58.227 56.400 0.201 0.000 0.799 502 E CB -0.347 29.551 29.700 0.330 0.000 0.748 502 E HN 0.540 nan 8.360 nan 0.000 0.449 503 Y N 1.217 121.373 120.300 -0.239 0.000 2.145 503 Y HA -0.201 4.350 4.550 0.002 0.000 0.286 503 Y C 2.279 177.985 175.900 -0.322 0.000 1.145 503 Y CA 1.566 59.233 58.100 -0.721 0.000 1.148 503 Y CB -0.287 37.760 38.460 -0.689 0.000 0.981 503 Y HN -0.080 nan 8.280 nan 0.000 0.507 504 I N 0.349 120.811 120.570 -0.180 0.000 2.127 504 I HA -0.322 3.850 4.170 0.003 0.000 0.241 504 I C 2.733 178.766 176.117 -0.139 0.000 1.075 504 I CA 1.696 62.906 61.300 -0.149 0.000 1.334 504 I CB -1.102 36.936 38.000 0.063 0.000 1.040 504 I HN 0.411 nan 8.210 nan 0.000 0.405 505 G N 0.202 109.001 108.800 -0.001 0.000 2.421 505 G HA2 -0.311 3.651 3.960 0.003 0.000 0.216 505 G HA3 -0.311 3.651 3.960 0.003 0.000 0.216 505 G C 1.434 176.290 174.900 -0.073 0.000 1.171 505 G CA 1.074 46.178 45.100 0.007 0.000 0.775 505 G HN 0.438 nan 8.290 nan 0.000 0.543 506 N N -0.073 118.554 118.700 -0.121 0.000 2.021 506 N HA -0.174 4.568 4.740 0.003 0.000 0.198 506 N C 2.317 177.723 175.510 -0.173 0.000 1.041 506 N CA 1.889 54.861 53.050 -0.129 0.000 0.862 506 N CB -0.186 38.214 38.487 -0.145 0.000 1.048 506 N HN 0.161 nan 8.380 nan 0.000 0.427 507 V N 0.909 120.625 119.914 -0.329 0.000 2.332 507 V HA -0.225 3.897 4.120 0.003 0.000 0.248 507 V C 2.274 178.301 176.094 -0.112 0.000 1.055 507 V CA 1.982 64.129 62.300 -0.255 0.000 1.038 507 V CB -0.901 30.653 31.823 -0.449 0.000 0.651 507 V HN 0.469 nan 8.190 nan 0.000 0.450 508 T N 0.118 114.614 114.554 -0.097 0.000 2.720 508 T HA -0.165 4.187 4.350 0.003 0.000 0.268 508 T C 1.736 176.430 174.700 -0.011 0.000 1.037 508 T CA 2.037 64.124 62.100 -0.021 0.000 1.144 508 T CB -0.218 68.646 68.868 -0.006 0.000 0.864 508 T HN 0.391 nan 8.240 nan 0.000 0.444 509 I N 0.432 120.986 120.570 -0.028 0.000 2.556 509 I HA 0.048 4.219 4.170 0.003 0.000 0.251 509 I C 2.119 178.228 176.117 -0.014 0.000 1.105 509 I CA 0.711 62.001 61.300 -0.017 0.000 1.436 509 I CB -0.008 37.979 38.000 -0.021 0.000 1.139 509 I HN 0.118 nan 8.210 nan 0.000 0.438 510 N N 0.667 119.352 118.700 -0.024 0.000 2.299 510 N HA 0.143 4.885 4.740 0.003 0.000 0.187 510 N C 0.687 176.189 175.510 -0.014 0.000 1.099 510 N CA 0.791 53.830 53.050 -0.019 0.000 0.867 510 N CB 0.836 39.309 38.487 -0.023 0.000 0.974 510 N HN 0.358 nan 8.380 nan 0.000 0.477 511 G N 1.504 110.300 108.800 -0.006 0.000 2.819 511 G HA2 -0.283 3.679 3.960 0.003 0.000 0.682 511 G HA3 -0.283 3.679 3.960 0.003 0.000 0.682 511 G C -0.858 174.069 174.900 0.044 0.000 1.481 511 G CA -0.677 44.440 45.100 0.027 0.000 0.904 511 G HN 0.187 nan 8.290 nan 0.000 0.563 512 F N 3.011 122.895 119.950 -0.109 0.000 2.379 512 F HA 0.639 5.168 4.527 0.002 0.000 0.332 512 F C -0.724 175.057 175.800 -0.032 0.000 1.096 512 F CA -1.552 56.396 58.000 -0.086 0.000 1.105 512 F CB 1.248 40.185 39.000 -0.105 0.000 1.189 512 F HN 0.518 nan 8.300 nan 0.000 0.515 516 V N 0.891 120.762 119.914 -0.071 0.000 2.760 516 V HA 0.384 4.506 4.120 0.003 0.000 0.309 516 V C -0.015 176.046 176.094 -0.055 0.000 1.077 516 V CA -0.965 61.248 62.300 -0.146 0.000 0.910 516 V CB 2.059 33.790 31.823 -0.154 0.000 1.008 516 V HN 0.188 nan 8.190 nan 0.000 0.424 517 E N 5.201 125.380 120.200 -0.035 0.000 2.292 517 E HA 0.078 4.430 4.350 0.003 0.000 0.265 517 E C -0.144 176.515 176.600 0.099 0.000 1.093 517 E CA -0.562 55.852 56.400 0.024 0.000 0.922 517 E CB 0.468 30.180 29.700 0.020 0.000 1.001 517 E HN 0.526 nan 8.360 nan 0.000 0.444 518 K N 6.233 126.677 120.400 0.074 0.000 2.402 518 K HA 0.104 4.426 4.320 0.003 0.000 0.285 518 K C 0.078 176.738 176.600 0.101 0.000 1.054 518 K CA 0.012 56.361 56.287 0.104 0.000 1.001 518 K CB 0.370 32.906 32.500 0.060 0.000 0.946 518 K HN 0.593 nan 8.250 nan 0.000 0.473 519 R N 1.445 122.036 120.500 0.152 0.000 2.716 519 R HA 0.445 4.787 4.340 0.003 0.000 0.271 519 R C -3.090 173.235 176.300 0.042 0.000 1.028 519 R CA -1.693 54.441 56.100 0.057 0.000 0.883 519 R CB 0.167 30.466 30.300 -0.001 0.000 1.250 519 R HN 0.206 nan 8.270 nan 0.000 0.465 520 P HA -0.003 nan 4.420 nan 0.000 0.267 520 P C -0.958 176.209 177.300 -0.221 0.000 1.200 520 P CA -0.203 62.855 63.100 -0.069 0.000 0.772 520 P CB 0.514 32.170 31.700 -0.074 0.000 0.855 521 K N 4.079 124.370 120.400 -0.182 0.000 2.405 521 K HA -0.021 4.301 4.320 0.003 0.000 0.273 521 K C -2.040 174.282 176.600 -0.463 0.000 1.116 521 K CA -0.852 55.242 56.287 -0.321 0.000 1.155 521 K CB -0.560 31.904 32.500 -0.059 0.000 0.858 521 K HN 0.278 nan 8.250 nan 0.000 0.477 522 P HA -0.045 nan 4.420 nan 0.000 0.268 522 P C -0.757 176.148 177.300 -0.658 0.000 1.205 522 P CA -0.133 62.479 63.100 -0.814 0.000 0.771 522 P CB 0.494 31.468 31.700 -1.211 0.000 0.858 523 D N 2.543 122.714 120.400 -0.382 0.000 2.540 523 D HA -0.013 4.628 4.640 0.003 0.000 0.237 523 D C 0.060 176.281 176.300 -0.132 0.000 1.181 523 D CA 0.386 54.272 54.000 -0.190 0.000 1.119 523 D CB -0.415 40.312 40.800 -0.121 0.000 1.119 523 D HN 0.321 nan 8.370 nan 0.000 0.498 524 Y N 0.549 120.849 120.300 -0.001 0.000 2.188 524 Y HA 0.065 4.616 4.550 0.002 0.000 0.360 524 Y C 1.476 177.409 175.900 0.055 0.000 1.324 524 Y CA -0.390 57.743 58.100 0.054 0.000 1.726 524 Y CB 0.679 39.229 38.460 0.151 0.000 1.536 524 Y HN 0.167 nan 8.280 nan 0.000 0.628 525 E N 0.830 121.202 120.200 0.286 0.000 2.248 525 E HA 0.124 4.476 4.350 0.003 0.000 0.272 525 E C 0.653 177.325 176.600 0.121 0.000 1.008 525 E CA -0.629 55.858 56.400 0.145 0.000 0.856 525 E CB 0.941 30.698 29.700 0.095 0.000 1.120 525 E HN 0.589 nan 8.360 nan 0.000 0.397 526 L N 1.972 123.245 121.223 0.084 0.000 1.956 526 L HA -0.057 4.284 4.340 0.003 0.000 0.216 526 L C 1.224 178.131 176.870 0.062 0.000 1.073 526 L CA 1.867 56.750 54.840 0.073 0.000 0.762 526 L CB -2.347 39.745 42.059 0.055 0.000 0.889 526 L HN 0.732 nan 8.230 nan 0.000 0.433 527 A N 0.625 123.468 122.820 0.039 0.000 2.667 527 A HA -0.190 4.132 4.320 0.003 0.000 0.298 527 A C 0.764 178.394 177.584 0.077 0.000 1.483 527 A CA 0.808 52.856 52.037 0.019 0.000 0.738 527 A CB -2.244 16.693 19.000 -0.104 0.000 1.067 527 A HN 0.742 nan 8.150 nan 0.000 0.451 528 S N -0.962 114.785 115.700 0.077 0.000 2.563 528 S HA 0.300 4.771 4.470 0.003 0.000 0.294 528 S C 0.337 175.007 174.600 0.116 0.000 1.279 528 S CA 0.461 58.710 58.200 0.081 0.000 1.069 528 S CB -0.303 62.928 63.200 0.052 0.000 0.828 528 S HN 0.906 nan 8.310 nan 0.000 0.497 529 I N 8.004 128.639 120.570 0.107 0.000 2.322 529 I HA 0.288 4.460 4.170 0.003 0.000 0.292 529 I C -1.701 174.426 176.117 0.017 0.000 1.060 529 I CA -1.878 59.474 61.300 0.088 0.000 1.309 529 I CB 0.446 38.485 38.000 0.065 0.000 1.415 529 I HN 0.472 nan 8.210 nan 0.000 0.492 530 P HA 0.141 nan 4.420 nan 0.000 0.268 530 P C -0.526 176.754 177.300 -0.034 0.000 1.204 530 P CA -0.142 62.949 63.100 -0.015 0.000 0.768 530 P CB 0.674 32.365 31.700 -0.015 0.000 0.842 531 T N 2.097 116.644 114.554 -0.012 0.000 2.848 531 T HA 0.379 4.731 4.350 0.003 0.000 0.285 531 T C -0.342 174.361 174.700 0.005 0.000 0.995 531 T CA -0.433 61.663 62.100 -0.008 0.000 0.970 531 T CB 1.309 70.175 68.868 -0.004 0.000 0.976 531 T HN 0.074 nan 8.240 nan 0.000 0.441 532 V N 3.351 123.274 119.914 0.015 0.000 2.459 532 V HA 0.502 4.624 4.120 0.003 0.000 0.295 532 V C 0.521 176.611 176.094 -0.006 0.000 1.029 532 V CA -1.037 61.276 62.300 0.023 0.000 0.874 532 V CB 1.896 33.766 31.823 0.078 0.000 0.985 532 V HN 1.078 nan 8.190 nan 0.000 0.438 533 S N 2.729 118.410 115.700 -0.031 0.000 2.533 533 S HA 0.062 4.534 4.470 0.003 0.000 0.282 533 S C 1.441 175.995 174.600 -0.077 0.000 1.304 533 S CA 0.081 58.252 58.200 -0.048 0.000 1.063 533 S CB 1.071 64.241 63.200 -0.051 0.000 0.881 533 S HN 1.057 nan 8.310 nan 0.000 0.493 534 S N 2.991 118.655 115.700 -0.058 0.000 2.374 534 S HA -0.215 4.257 4.470 0.003 0.000 0.227 534 S C 1.929 176.470 174.600 -0.098 0.000 1.037 534 S CA 1.295 59.456 58.200 -0.064 0.000 1.024 534 S CB -1.400 61.775 63.200 -0.041 0.000 0.861 534 S HN 1.163 nan 8.310 nan 0.000 0.456 535 S N 1.588 117.231 115.700 -0.094 0.000 2.481 535 S HA 0.089 4.561 4.470 0.003 0.000 0.231 535 S C 1.628 176.134 174.600 -0.157 0.000 0.996 535 S CA 0.880 59.018 58.200 -0.104 0.000 0.942 535 S CB -0.256 62.900 63.200 -0.075 0.000 0.768 535 S HN 0.580 nan 8.310 nan 0.000 0.520 536 K N 1.897 122.174 120.400 -0.206 0.000 2.166 536 K HA 0.247 4.568 4.320 0.003 0.000 0.201 536 K C 0.504 176.714 176.600 -0.652 0.000 1.052 536 K CA 0.380 56.467 56.287 -0.333 0.000 0.969 536 K CB -0.505 31.837 32.500 -0.263 0.000 0.761 536 K HN 0.467 nan 8.250 nan 0.000 0.459 537 I N 3.116 123.371 120.570 -0.526 0.000 2.593 537 I HA 0.058 4.230 4.170 0.003 0.000 0.304 537 I C -0.780 175.143 176.117 -0.324 0.000 1.176 537 I CA 0.587 61.554 61.300 -0.555 0.000 1.533 537 I CB -1.021 36.902 38.000 -0.128 0.000 1.492 537 I HN 0.173 nan 8.210 nan 0.000 0.704 538 F N 1.769 121.718 119.950 -0.003 0.000 2.184 538 F HA -0.183 4.346 4.527 0.004 0.000 0.318 538 F C 0.051 175.847 175.800 -0.008 0.000 1.220 538 F CA -0.592 57.409 58.000 0.002 0.000 0.911 538 F CB -0.395 38.613 39.000 0.013 0.000 4.131 538 F HN 0.342 nan 8.300 nan 0.000 0.140 539 S N 1.574 117.389 115.700 0.193 0.000 2.552 539 S HA 0.827 5.299 4.470 0.003 0.000 0.314 539 S C -0.024 174.594 174.600 0.030 0.000 1.099 539 S CA 0.286 58.531 58.200 0.075 0.000 1.070 539 S CB 1.494 64.713 63.200 0.032 0.000 0.998 539 S HN 1.020 nan 8.310 nan 0.000 0.474 540 G N 1.313 110.115 108.800 0.003 0.000 3.217 540 G HA2 0.397 4.359 3.960 0.003 0.000 0.213 540 G HA3 0.397 4.359 3.960 0.003 0.000 0.213 540 G C 1.008 175.849 174.900 -0.099 0.000 1.294 540 G CA 0.162 45.243 45.100 -0.030 0.000 0.987 540 G HN 0.703 nan 8.290 nan 0.000 0.584 541 T N -1.482 113.006 114.554 -0.110 0.000 2.962 541 T HA -0.026 4.325 4.350 0.003 0.000 0.270 541 T C 1.938 176.539 174.700 -0.164 0.000 1.088 541 T CA 1.339 63.324 62.100 -0.192 0.000 1.127 541 T CB -0.015 68.751 68.868 -0.170 0.000 0.883 541 T HN 0.257 nan 8.240 nan 0.000 0.493 542 K N 1.057 121.394 120.400 -0.106 0.000 2.025 542 K HA -0.037 4.284 4.320 0.003 0.000 0.207 542 K C 2.341 178.883 176.600 -0.098 0.000 1.049 542 K CA 1.391 57.622 56.287 -0.093 0.000 0.933 542 K CB -0.327 32.133 32.500 -0.067 0.000 0.714 542 K HN 0.330 nan 8.250 nan 0.000 0.438 543 Q N 0.501 120.247 119.800 -0.090 0.000 2.364 543 Q HA -0.073 4.269 4.340 0.003 0.000 0.207 543 Q C 1.696 177.624 176.000 -0.120 0.000 0.970 543 Q CA 0.498 56.248 55.803 -0.088 0.000 0.888 543 Q CB -0.115 28.584 28.738 -0.065 0.000 0.951 543 Q HN 0.140 nan 8.270 nan 0.000 0.469 544 L N -0.578 120.542 121.223 -0.172 0.000 2.131 544 L HA -0.005 4.336 4.340 0.003 0.000 0.206 544 L C 1.681 178.452 176.870 -0.166 0.000 1.087 544 L CA 1.253 55.952 54.840 -0.235 0.000 0.767 544 L CB -0.493 41.317 42.059 -0.415 0.000 0.917 544 L HN 0.298 nan 8.230 nan 0.000 0.441 545 L N -0.687 120.458 121.223 -0.131 0.000 2.275 545 L HA -0.071 4.270 4.340 0.003 0.000 0.215 545 L C 1.024 177.848 176.870 -0.076 0.000 1.119 545 L CA 1.383 56.170 54.840 -0.089 0.000 0.790 545 L CB -0.542 41.467 42.059 -0.083 0.000 0.919 545 L HN 0.209 nan 8.230 nan 0.000 0.443 546 D N -0.224 120.126 120.400 -0.083 0.000 2.352 546 D HA 0.018 4.659 4.640 0.003 0.000 0.236 546 D C 1.070 177.333 176.300 -0.062 0.000 1.148 546 D CA 0.381 54.340 54.000 -0.069 0.000 0.844 546 D CB 0.377 41.136 40.800 -0.068 0.000 0.933 546 D HN 0.556 nan 8.370 nan 0.000 0.507 547 E N -1.283 118.878 120.200 -0.065 0.000 2.661 547 E HA 0.072 4.424 4.350 0.003 0.000 0.202 547 E C 0.545 177.120 176.600 -0.041 0.000 0.911 547 E CA 0.067 56.435 56.400 -0.054 0.000 1.581 547 E CB 1.385 31.044 29.700 -0.067 0.000 1.667 547 E HN 0.068 nan 8.360 nan 0.000 0.911 548 V N -1.754 118.134 119.914 -0.043 0.000 3.119 548 V HA 0.769 4.891 4.120 0.003 0.000 0.309 548 V C 0.630 176.717 176.094 -0.012 0.000 1.304 548 V CA -0.751 61.538 62.300 -0.019 0.000 1.057 548 V CB 0.409 32.228 31.823 -0.006 0.000 1.150 548 V HN 0.073 nan 8.190 nan 0.000 0.474 549 G N -0.793 108.016 108.800 0.014 0.000 2.651 549 G HA2 0.475 4.436 3.960 0.003 0.000 0.260 549 G HA3 0.475 4.436 3.960 0.003 0.000 0.260 549 G C -1.901 173.013 174.900 0.024 0.000 1.216 549 G CA -0.603 44.512 45.100 0.026 0.000 0.913 549 G HN 0.628 nan 8.290 nan 0.000 0.535 550 P HA -0.028 nan 4.420 nan 0.000 0.216 550 P C 1.639 179.013 177.300 0.123 0.000 1.153 550 P CA 1.195 64.259 63.100 -0.061 0.000 0.848 550 P CB 0.212 31.679 31.700 -0.389 0.000 0.787 551 K N -0.311 120.260 120.400 0.285 0.000 2.555 551 K HA 0.018 4.340 4.320 0.003 0.000 0.193 551 K C 1.599 178.306 176.600 0.180 0.000 1.032 551 K CA 0.760 57.226 56.287 0.299 0.000 1.004 551 K CB -0.631 32.005 32.500 0.227 0.000 0.804 551 K HN 0.096 nan 8.250 nan 0.000 0.496 552 G N -0.307 108.576 108.800 0.138 0.000 3.042 552 G HA2 0.043 4.005 3.960 0.003 0.000 0.212 552 G HA3 0.043 4.005 3.960 0.003 0.000 0.212 552 G C 0.950 175.931 174.900 0.134 0.000 1.166 552 G CA -0.149 45.018 45.100 0.112 0.000 0.767 552 G HN 0.125 nan 8.290 nan 0.000 0.546 553 V N 0.163 120.183 119.914 0.176 0.000 3.013 553 V HA 0.195 4.317 4.120 0.003 0.000 0.238 553 V C 2.879 179.219 176.094 0.409 0.000 1.161 553 V CA 1.198 63.649 62.300 0.253 0.000 1.170 553 V CB 0.199 32.131 31.823 0.180 0.000 0.917 553 V HN 0.303 nan 8.190 nan 0.000 0.478 554 A N -0.037 122.972 122.820 0.315 0.000 1.969 554 A HA -0.172 4.150 4.320 0.003 0.000 0.218 554 A C 1.886 179.590 177.584 0.201 0.000 1.169 554 A CA 1.585 53.783 52.037 0.268 0.000 0.635 554 A CB -0.354 18.796 19.000 0.250 0.000 0.810 554 A HN 0.588 nan 8.150 nan 0.000 0.445 555 E N -2.285 118.036 120.200 0.201 0.000 2.494 555 E HA -0.060 4.292 4.350 0.003 0.000 0.193 555 E C 1.136 177.855 176.600 0.198 0.000 1.074 555 E CA 0.184 56.675 56.400 0.152 0.000 0.867 555 E CB -0.044 29.732 29.700 0.126 0.000 0.924 555 E HN 0.906 nan 8.360 nan 0.000 0.502 556 W N -0.915 120.420 121.300 0.058 0.000 2.842 556 W HA 0.051 4.712 4.660 0.003 0.000 0.267 556 W C 1.196 177.743 176.519 0.046 0.000 1.219 556 W CA 0.116 57.492 57.345 0.051 0.000 1.458 556 W CB 0.293 29.788 29.460 0.059 0.000 1.006 556 W HN -0.210 nan 8.180 nan 0.000 0.603 557 V N 3.243 123.135 119.914 -0.036 0.000 2.720 557 V HA -0.319 3.803 4.120 0.003 0.000 0.256 557 V C 2.350 178.255 176.094 -0.316 0.000 1.082 557 V CA 2.338 64.447 62.300 -0.319 0.000 1.101 557 V CB -1.271 30.519 31.823 -0.054 0.000 0.693 557 V HN 0.356 nan 8.190 nan 0.000 0.479 558 K N 1.461 121.748 120.400 -0.188 0.000 2.032 558 K HA -0.222 4.100 4.320 0.003 0.000 0.209 558 K C 2.122 178.618 176.600 -0.174 0.000 1.048 558 K CA 1.991 58.195 56.287 -0.139 0.000 0.927 558 K CB -0.300 32.161 32.500 -0.064 0.000 0.712 558 K HN 0.326 nan 8.250 nan 0.000 0.441 559 K N 0.380 120.652 120.400 -0.214 0.000 2.393 559 K HA 0.049 4.371 4.320 0.003 0.000 0.193 559 K C -0.104 176.363 176.600 -0.222 0.000 1.026 559 K CA -0.139 56.042 56.287 -0.177 0.000 1.064 559 K CB 0.457 32.882 32.500 -0.124 0.000 0.833 559 K HN 0.166 nan 8.250 nan 0.000 0.521 560 Q N 1.843 121.429 119.800 -0.356 0.000 2.256 560 Q HA -0.111 4.230 4.340 0.003 0.000 0.281 560 Q C 0.093 175.969 176.000 -0.207 0.000 1.162 560 Q CA 0.658 56.254 55.803 -0.345 0.000 0.943 560 Q CB 1.207 29.620 28.738 -0.541 0.000 1.195 560 Q HN 0.283 nan 8.270 nan 0.000 0.403 561 D N 2.140 122.458 120.400 -0.137 0.000 2.144 561 D HA -0.125 4.516 4.640 0.003 0.000 0.200 561 D C -0.301 175.956 176.300 -0.072 0.000 0.978 561 D CA 0.791 54.737 54.000 -0.089 0.000 0.833 561 D CB 0.457 41.221 40.800 -0.060 0.000 0.961 561 D HN 0.394 nan 8.370 nan 0.000 0.470 562 D N -0.076 120.284 120.400 -0.067 0.000 2.399 562 D HA 0.027 4.668 4.640 0.003 0.000 0.241 562 D C -0.146 176.111 176.300 -0.072 0.000 1.133 562 D CA -0.149 53.829 54.000 -0.037 0.000 0.890 562 D CB 1.434 42.228 40.800 -0.008 0.000 1.201 562 D HN -0.133 nan 8.370 nan 0.000 0.432 563 V N 3.217 123.093 119.914 -0.064 0.000 2.555 563 V HA 0.107 4.229 4.120 0.003 0.000 0.286 563 V C 1.037 177.082 176.094 -0.082 0.000 1.044 563 V CA -0.359 61.879 62.300 -0.103 0.000 1.026 563 V CB 0.433 32.185 31.823 -0.118 0.000 0.981 563 V HN 0.293 nan 8.190 nan 0.000 0.480 564 L N 5.053 126.206 121.223 -0.116 0.000 2.567 564 L HA 0.707 5.049 4.340 0.003 0.000 0.238 564 L C -0.138 176.687 176.870 -0.076 0.000 1.168 564 L CA -0.619 54.187 54.840 -0.057 0.000 0.817 564 L CB 1.066 43.089 42.059 -0.061 0.000 1.409 564 L HN 0.644 nan 8.230 nan 0.000 0.502 565 L N -1.788 119.433 121.223 -0.004 0.000 2.545 565 L HA 0.539 4.881 4.340 0.003 0.000 0.258 565 L C -1.251 175.629 176.870 0.016 0.000 0.942 565 L CA -0.400 54.416 54.840 -0.040 0.000 0.855 565 L CB 2.320 44.372 42.059 -0.011 0.000 1.374 565 L HN 0.360 nan 8.230 nan 0.000 0.411 566 T N 1.453 115.998 114.554 -0.014 0.000 2.797 566 T HA 0.364 4.715 4.350 0.003 0.000 0.279 566 T C -1.016 173.591 174.700 -0.155 0.000 0.991 566 T CA -0.087 62.033 62.100 0.034 0.000 0.979 566 T CB 1.448 70.485 68.868 0.282 0.000 0.943 566 T HN 0.690 nan 8.240 nan 0.000 0.444 567 D N 1.564 121.780 120.400 -0.306 0.000 2.232 567 D HA 0.338 4.979 4.640 0.003 0.000 0.242 567 D C 1.103 177.200 176.300 -0.338 0.000 1.093 567 D CA -0.263 53.459 54.000 -0.464 0.000 0.845 567 D CB 1.021 41.261 40.800 -0.935 0.000 1.124 567 D HN 0.558 nan 8.370 nan 0.000 0.467 568 T N -1.087 113.273 114.554 -0.322 0.000 3.122 568 T HA 0.030 4.382 4.350 0.003 0.000 0.250 568 T C 1.463 175.957 174.700 -0.344 0.000 1.067 568 T CA -0.172 61.758 62.100 -0.283 0.000 0.966 568 T CB 0.088 68.787 68.868 -0.282 0.000 1.002 568 T HN 0.242 nan 8.240 nan 0.000 0.542 569 T N 1.974 116.250 114.554 -0.463 0.000 2.746 569 T HA -0.006 4.346 4.350 0.003 0.000 0.267 569 T C 0.906 175.283 174.700 -0.539 0.000 1.039 569 T CA 1.130 62.861 62.100 -0.614 0.000 1.142 569 T CB -0.524 67.855 68.868 -0.815 0.000 0.866 569 T HN 0.468 nan 8.240 nan 0.000 0.444 570 F N 0.803 120.634 119.950 -0.198 0.000 2.771 570 F HA 0.263 4.793 4.527 0.005 0.000 0.299 570 F C 2.087 177.867 175.800 -0.032 0.000 1.177 570 F CA 0.096 58.086 58.000 -0.016 0.000 1.450 570 F CB -0.313 38.687 39.000 -0.001 0.000 1.114 570 F HN -0.036 nan 8.300 nan 0.000 0.587 571 R N -0.317 120.032 120.500 -0.251 0.000 3.161 571 R HA 0.060 4.401 4.340 0.003 0.000 0.104 571 R C 1.292 177.213 176.300 -0.632 0.000 1.197 571 R CA 0.444 56.293 56.100 -0.419 0.000 0.965 571 R CB -0.910 29.320 30.300 -0.117 0.000 0.892 571 R HN 0.021 nan 8.270 nan 0.000 0.388 572 D N 1.054 121.269 120.400 -0.308 0.000 2.190 572 D HA -0.081 4.560 4.640 0.003 0.000 0.200 572 D C 1.536 177.707 176.300 -0.215 0.000 0.992 572 D CA 1.776 55.666 54.000 -0.183 0.000 0.854 572 D CB 0.104 40.888 40.800 -0.028 0.000 0.936 572 D HN 0.437 nan 8.370 nan 0.000 0.462 573 A N 0.101 122.738 122.820 -0.305 0.000 1.877 573 A HA -0.212 4.109 4.320 0.003 0.000 0.216 573 A C 2.063 179.519 177.584 -0.214 0.000 1.186 573 A CA 1.855 53.746 52.037 -0.244 0.000 0.620 573 A CB -1.056 17.766 19.000 -0.297 0.000 0.822 573 A HN 0.684 nan 8.150 nan 0.000 0.443 574 H N -1.973 116.983 119.070 -0.190 0.000 2.544 574 H HA 0.108 4.666 4.556 0.003 0.000 0.269 574 H C 1.862 177.107 175.328 -0.138 0.000 0.970 574 H CA 0.900 56.834 56.048 -0.190 0.000 1.219 574 H CB -0.283 29.320 29.762 -0.265 0.000 1.421 574 H HN 0.624 nan 8.280 nan 0.000 0.555 575 Q N 1.523 121.202 119.800 -0.202 0.000 2.224 575 Q HA -0.076 4.266 4.340 0.003 0.000 0.203 575 Q C 1.683 177.647 176.000 -0.060 0.000 0.970 575 Q CA 1.500 57.257 55.803 -0.075 0.000 0.865 575 Q CB 0.326 29.007 28.738 -0.095 0.000 0.922 575 Q HN 0.408 nan 8.270 nan 0.000 0.445 576 S N -0.296 115.360 115.700 -0.073 0.000 2.404 576 S HA 0.038 4.510 4.470 0.003 0.000 0.223 576 S C 1.626 176.190 174.600 -0.060 0.000 1.040 576 S CA 0.616 58.773 58.200 -0.070 0.000 0.957 576 S CB 0.163 63.337 63.200 -0.043 0.000 0.826 576 S HN 0.302 nan 8.310 nan 0.000 0.491 577 L N -0.096 121.103 121.223 -0.039 0.000 2.500 577 L HA 0.379 4.721 4.340 0.003 0.000 0.219 577 L C 0.615 177.499 176.870 0.022 0.000 1.057 577 L CA 0.494 55.325 54.840 -0.015 0.000 0.854 577 L CB 0.064 42.115 42.059 -0.014 0.000 1.078 577 L HN 0.125 nan 8.230 nan 0.000 0.480 578 L N 0.369 121.603 121.223 0.019 0.000 3.209 578 L HA 0.460 4.802 4.340 0.003 0.000 0.279 578 L C 0.867 177.707 176.870 -0.051 0.000 1.301 578 L CA -0.288 54.576 54.840 0.040 0.000 1.004 578 L CB 0.491 42.525 42.059 -0.043 0.000 1.402 578 L HN 0.160 nan 8.230 nan 0.000 0.577 579 A N -0.498 122.300 122.820 -0.037 0.000 2.774 579 A HA -0.313 4.008 4.320 0.003 0.000 0.290 579 A C 1.225 178.701 177.584 -0.181 0.000 1.484 579 A CA 1.099 53.065 52.037 -0.119 0.000 0.863 579 A CB -2.070 16.851 19.000 -0.131 0.000 0.989 579 A HN 0.711 nan 8.150 nan 0.000 0.554 580 T N -2.542 111.978 114.554 -0.057 0.000 5.221 580 T HA -0.274 4.078 4.350 0.003 0.000 0.299 580 T C 0.745 175.372 174.700 -0.123 0.000 1.489 580 T CA 1.605 63.750 62.100 0.075 0.000 2.593 580 T CB -1.144 67.763 68.868 0.065 0.000 1.859 580 T HN 0.901 nan 8.240 nan 0.000 0.982 581 R N 0.268 120.570 120.500 -0.329 0.000 2.313 581 R HA 0.255 4.597 4.340 0.003 0.000 0.199 581 R C 0.871 177.019 176.300 -0.253 0.000 0.958 581 R CA -0.015 55.890 56.100 -0.325 0.000 1.047 581 R CB -0.272 29.617 30.300 -0.686 0.000 0.955 581 R HN 0.468 nan 8.270 nan 0.000 0.481 582 V N 3.042 122.540 119.914 -0.694 0.000 2.540 582 V HA -0.042 4.080 4.120 0.003 0.000 0.297 582 V C 1.055 177.018 176.094 -0.219 0.000 1.024 582 V CA 0.437 62.314 62.300 -0.706 0.000 1.105 582 V CB 0.289 31.523 31.823 -0.983 0.000 0.938 582 V HN 0.137 nan 8.190 nan 0.000 0.482 583 R N 2.993 123.543 120.500 0.083 0.000 2.532 583 R HA 0.327 4.668 4.340 0.003 0.000 0.272 583 R C 1.357 177.675 176.300 0.031 0.000 1.032 583 R CA -0.487 55.603 56.100 -0.016 0.000 1.089 583 R CB 0.696 30.910 30.300 -0.143 0.000 1.098 583 R HN 0.739 nan 8.270 nan 0.000 0.526 584 T N 1.458 115.997 114.554 -0.025 0.000 2.607 584 T HA -0.242 4.109 4.350 0.003 0.000 0.267 584 T C 1.657 176.388 174.700 0.052 0.000 1.049 584 T CA 1.772 63.882 62.100 0.018 0.000 1.162 584 T CB -0.175 68.685 68.868 -0.012 0.000 0.863 584 T HN 0.470 nan 8.240 nan 0.000 0.424 585 K N 1.459 121.867 120.400 0.012 0.000 2.044 585 K HA -0.233 4.089 4.320 0.003 0.000 0.224 585 K C 1.892 178.557 176.600 0.109 0.000 1.056 585 K CA 2.319 58.625 56.287 0.032 0.000 0.962 585 K CB -0.738 31.751 32.500 -0.018 0.000 0.730 585 K HN 0.375 nan 8.250 nan 0.000 0.453 586 D N -0.536 119.970 120.400 0.177 0.000 2.178 586 D HA -0.153 4.488 4.640 0.003 0.000 0.201 586 D C 1.961 178.457 176.300 0.326 0.000 0.980 586 D CA 1.464 55.618 54.000 0.257 0.000 0.842 586 D CB -0.069 40.930 40.800 0.332 0.000 0.948 586 D HN 0.417 nan 8.370 nan 0.000 0.472 587 M N 0.177 120.011 119.600 0.390 0.000 2.123 587 M HA -0.062 4.420 4.480 0.003 0.000 0.263 587 M C 2.363 178.796 176.300 0.222 0.000 1.069 587 M CA 0.763 56.356 55.300 0.489 0.000 1.133 587 M CB -0.018 32.771 32.600 0.315 0.000 1.356 587 M HN -0.059 nan 8.290 nan 0.000 0.415 588 I N 1.121 121.752 120.570 0.101 0.000 2.756 588 I HA -0.233 3.938 4.170 0.003 0.000 0.262 588 I C 1.340 177.485 176.117 0.046 0.000 1.225 588 I CA 1.351 62.679 61.300 0.047 0.000 1.472 588 I CB -0.668 37.349 38.000 0.027 0.000 1.094 588 I HN 0.318 nan 8.210 nan 0.000 0.454 589 N N 1.410 120.145 118.700 0.058 0.000 2.106 589 N HA -0.156 4.586 4.740 0.003 0.000 0.188 589 N C 1.440 176.881 175.510 -0.116 0.000 1.029 589 N CA 1.542 54.598 53.050 0.010 0.000 0.848 589 N CB -0.272 38.270 38.487 0.093 0.000 1.007 589 N HN 0.449 nan 8.380 nan 0.000 0.423 590 I N -1.911 118.517 120.570 -0.237 0.000 3.684 590 I HA 0.359 4.531 4.170 0.003 0.000 0.304 590 I C 1.663 177.787 176.117 0.012 0.000 1.278 590 I CA -0.236 60.889 61.300 -0.291 0.000 1.272 590 I CB -0.699 36.931 38.000 -0.617 0.000 1.029 590 I HN -0.101 nan 8.210 nan 0.000 0.458 591 A N 1.636 124.504 122.820 0.080 0.000 1.948 591 A HA -0.247 4.075 4.320 0.003 0.000 0.220 591 A C 2.539 180.194 177.584 0.117 0.000 1.177 591 A CA 2.513 54.627 52.037 0.128 0.000 0.636 591 A CB -1.116 17.925 19.000 0.070 0.000 0.815 591 A HN 0.647 nan 8.150 nan 0.000 0.449 592 S N 0.306 116.043 115.700 0.062 0.000 2.363 592 S HA -0.262 4.210 4.470 0.003 0.000 0.218 592 S C 1.907 176.555 174.600 0.080 0.000 1.035 592 S CA 1.759 59.994 58.200 0.059 0.000 1.043 592 S CB -0.529 62.683 63.200 0.019 0.000 0.986 592 S HN 0.454 nan 8.310 nan 0.000 0.423 593 K N 1.412 121.831 120.400 0.032 0.000 2.097 593 K HA -0.006 4.315 4.320 0.003 0.000 0.206 593 K C 2.183 178.810 176.600 0.045 0.000 1.049 593 K CA 1.949 58.247 56.287 0.019 0.000 0.933 593 K CB -1.308 31.163 32.500 -0.049 0.000 0.717 593 K HN 0.517 nan 8.250 nan 0.000 0.442 594 T N 0.326 114.951 114.554 0.118 0.000 2.737 594 T HA -0.192 4.160 4.350 0.003 0.000 0.269 594 T C 1.756 176.594 174.700 0.229 0.000 1.040 594 T CA 1.451 63.696 62.100 0.241 0.000 1.142 594 T CB -0.471 68.686 68.868 0.482 0.000 0.861 594 T HN 0.400 nan 8.240 nan 0.000 0.456 595 A N 1.458 124.407 122.820 0.215 0.000 1.898 595 A HA -0.128 4.194 4.320 0.003 0.000 0.216 595 A C 2.170 179.811 177.584 0.094 0.000 1.181 595 A CA 1.850 54.019 52.037 0.221 0.000 0.620 595 A CB -0.650 18.522 19.000 0.287 0.000 0.819 595 A HN 0.444 nan 8.150 nan 0.000 0.442 596 D N -0.599 119.853 120.400 0.088 0.000 2.224 596 D HA -0.069 4.573 4.640 0.003 0.000 0.205 596 D C 1.799 177.985 176.300 -0.190 0.000 0.965 596 D CA 1.317 55.288 54.000 -0.049 0.000 0.852 596 D CB 0.049 40.918 40.800 0.114 0.000 0.947 596 D HN 0.197 nan 8.370 nan 0.000 0.494 597 V N -0.372 119.401 119.914 -0.236 0.000 2.273 597 V HA -0.067 4.055 4.120 0.003 0.000 0.242 597 V C 1.491 177.310 176.094 -0.458 0.000 1.035 597 V CA 1.105 63.128 62.300 -0.462 0.000 1.013 597 V CB -0.640 30.709 31.823 -0.790 0.000 0.652 597 V HN 0.100 nan 8.190 nan 0.000 0.452 598 F N 1.395 121.351 119.950 0.011 0.000 2.701 598 F HA 0.205 4.733 4.527 0.002 0.000 0.295 598 F C 1.873 177.672 175.800 -0.002 0.000 1.165 598 F CA -0.374 57.639 58.000 0.021 0.000 1.399 598 F CB -0.646 38.384 39.000 0.051 0.000 0.996 598 F HN 0.165 nan 8.300 nan 0.000 0.513 599 K N -0.439 119.963 120.400 0.003 0.000 2.063 599 K HA -0.181 4.140 4.320 0.003 0.000 0.208 599 K C 0.656 177.252 176.600 -0.007 0.000 1.048 599 K CA 1.920 58.149 56.287 -0.098 0.000 0.928 599 K CB -0.204 32.043 32.500 -0.422 0.000 0.713 599 K HN 0.145 nan 8.250 nan 0.000 0.442 600 D N 1.317 121.740 120.400 0.037 0.000 2.325 600 D HA 0.078 4.720 4.640 0.003 0.000 0.225 600 D C 0.419 176.826 176.300 0.179 0.000 1.096 600 D CA 0.270 54.334 54.000 0.106 0.000 0.844 600 D CB 0.255 41.112 40.800 0.095 0.000 0.925 600 D HN 0.408 nan 8.370 nan 0.000 0.513 601 G N 0.256 109.178 108.800 0.203 0.000 2.527 601 G HA2 0.084 4.045 3.960 0.003 0.000 0.248 601 G HA3 0.084 4.045 3.960 0.003 0.000 0.248 601 G C 0.434 175.464 174.900 0.216 0.000 1.231 601 G CA -0.537 44.698 45.100 0.225 0.000 0.838 601 G HN 0.088 nan 8.290 nan 0.000 0.570 602 F N 1.311 121.316 119.950 0.092 0.000 2.187 602 F HA 0.200 4.729 4.527 0.003 0.000 0.295 602 F C 1.268 177.135 175.800 0.111 0.000 1.091 602 F CA 1.080 59.148 58.000 0.113 0.000 1.308 602 F CB 0.263 39.297 39.000 0.058 0.000 1.030 602 F HN 0.621 nan 8.300 nan 0.000 0.487 603 S N -0.634 115.063 115.700 -0.006 0.000 2.611 603 S HA 0.563 5.034 4.470 0.003 0.000 0.268 603 S C -1.431 173.165 174.600 -0.007 0.000 1.156 603 S CA -1.040 57.108 58.200 -0.088 0.000 0.817 603 S CB 1.464 64.583 63.200 -0.134 0.000 1.122 603 S HN 0.109 nan 8.310 nan 0.000 0.466 604 L N 1.442 122.633 121.223 -0.054 0.000 2.342 604 L HA 0.535 4.877 4.340 0.003 0.000 0.276 604 L C 0.080 176.871 176.870 -0.132 0.000 0.997 604 L CA -0.449 54.320 54.840 -0.118 0.000 0.838 604 L CB 1.576 43.569 42.059 -0.110 0.000 1.224 604 L HN 0.815 nan 8.230 nan 0.000 0.416 605 E N 4.795 124.951 120.200 -0.073 0.000 2.299 605 E HA 0.179 4.531 4.350 0.003 0.000 0.272 605 E C -0.084 176.505 176.600 -0.018 0.000 1.043 605 E CA -0.154 56.221 56.400 -0.041 0.000 0.895 605 E CB 0.686 30.364 29.700 -0.038 0.000 1.011 605 E HN 0.631 nan 8.360 nan 0.000 0.432 606 M N 2.785 122.387 119.600 0.003 0.000 3.052 606 M HA 0.385 4.867 4.480 0.003 0.000 0.469 606 M C -1.440 175.003 176.300 0.238 0.000 1.392 606 M CA -0.580 54.773 55.300 0.088 0.000 0.804 606 M CB -0.001 32.570 32.600 -0.047 0.000 1.610 606 M HN 0.291 nan 8.290 nan 0.000 0.556 607 W N 0.058 121.327 121.300 -0.053 0.000 3.137 607 W HA 0.693 5.355 4.660 0.003 0.000 0.324 607 W C 0.446 176.966 176.519 0.001 0.000 1.253 607 W CA 0.198 57.526 57.345 -0.029 0.000 1.183 607 W CB 1.423 30.844 29.460 -0.065 0.000 1.424 607 W HN 0.785 nan 8.180 nan 0.000 0.566 608 G N 1.030 109.711 108.800 -0.199 0.000 2.693 608 G HA2 0.370 4.332 3.960 0.003 0.000 0.226 608 G HA3 0.370 4.332 3.960 0.003 0.000 0.226 608 G C 0.726 175.607 174.900 -0.032 0.000 1.354 608 G CA 1.083 46.123 45.100 -0.100 0.000 0.873 608 G HN 2.266 nan 8.290 nan 0.000 0.562 609 G N -1.492 107.343 108.800 0.058 0.000 3.377 609 G HA2 0.160 4.122 3.960 0.003 0.000 0.304 609 G HA3 0.160 4.122 3.960 0.003 0.000 0.304 609 G C 1.458 176.414 174.900 0.093 0.000 1.366 609 G CA 2.877 48.028 45.100 0.085 0.000 1.020 609 G HN 2.713 nan 8.290 nan 0.000 0.621 610 A N -0.873 121.985 122.820 0.062 0.000 2.653 610 A HA 0.568 4.890 4.320 0.003 0.000 0.248 610 A C 2.050 179.659 177.584 0.042 0.000 1.211 610 A CA 1.409 53.500 52.037 0.090 0.000 0.991 610 A CB -0.279 18.786 19.000 0.108 0.000 1.252 610 A HN 1.875 nan 8.150 nan 0.000 0.593 611 T N -2.146 112.399 114.554 -0.016 0.000 2.720 611 T HA -0.230 4.122 4.350 0.003 0.000 0.268 611 T C 1.673 176.270 174.700 -0.172 0.000 1.037 611 T CA 1.780 63.840 62.100 -0.068 0.000 1.144 611 T CB -0.655 68.156 68.868 -0.095 0.000 0.864 611 T HN 0.325 nan 8.240 nan 0.000 0.444 612 F N 2.948 122.649 119.950 -0.416 0.000 2.095 612 F HA -0.076 4.452 4.527 0.002 0.000 0.298 612 F C 2.121 177.765 175.800 -0.259 0.000 1.104 612 F CA 1.958 59.694 58.000 -0.441 0.000 1.232 612 F CB -0.655 38.055 39.000 -0.483 0.000 0.987 612 F HN 0.239 nan 8.300 nan 0.000 0.475 613 D N -0.385 119.945 120.400 -0.116 0.000 2.097 613 D HA -0.163 4.479 4.640 0.003 0.000 0.195 613 D C 2.033 178.228 176.300 -0.174 0.000 0.989 613 D CA 1.757 55.571 54.000 -0.311 0.000 0.827 613 D CB -0.248 40.550 40.800 -0.003 0.000 0.966 613 D HN 0.180 nan 8.370 nan 0.000 0.456 614 V N 0.447 120.363 119.914 0.003 0.000 2.591 614 V HA -0.024 4.098 4.120 0.003 0.000 0.249 614 V C 2.457 178.605 176.094 0.089 0.000 1.053 614 V CA 1.363 63.779 62.300 0.193 0.000 1.068 614 V CB -0.559 31.390 31.823 0.210 0.000 0.689 614 V HN 0.351 nan 8.190 nan 0.000 0.462 615 A N -0.850 121.922 122.820 -0.080 0.000 1.855 615 A HA -0.196 4.126 4.320 0.003 0.000 0.215 615 A C 2.088 179.562 177.584 -0.182 0.000 1.191 615 A CA 1.663 53.610 52.037 -0.151 0.000 0.613 615 A CB -0.813 18.029 19.000 -0.265 0.000 0.829 615 A HN 0.515 nan 8.150 nan 0.000 0.442 616 Y N 0.241 120.338 120.300 -0.339 0.000 2.128 616 Y HA -0.258 4.294 4.550 0.003 0.000 0.284 616 Y C 2.674 178.484 175.900 -0.150 0.000 1.154 616 Y CA 2.119 60.013 58.100 -0.343 0.000 1.149 616 Y CB -0.149 37.987 38.460 -0.540 0.000 0.976 616 Y HN 0.514 nan 8.280 nan 0.000 0.505 617 N N -0.779 117.883 118.700 -0.062 0.000 2.187 617 N HA -0.135 4.606 4.740 0.003 0.000 0.190 617 N C 1.654 177.079 175.510 -0.141 0.000 1.052 617 N CA 1.107 54.034 53.050 -0.206 0.000 0.863 617 N CB -0.324 37.843 38.487 -0.532 0.000 1.041 617 N HN 0.181 nan 8.380 nan 0.000 0.447 618 F N 1.095 121.112 119.950 0.113 0.000 2.234 618 F HA 0.103 4.633 4.527 0.005 0.000 0.296 618 F C 1.998 177.998 175.800 0.333 0.000 1.089 618 F CA 0.516 58.634 58.000 0.196 0.000 1.343 618 F CB -0.038 39.065 39.000 0.171 0.000 1.040 618 F HN 0.035 nan 8.300 nan 0.000 0.498 619 L N -0.462 121.000 121.223 0.399 0.000 2.592 619 L HA 0.091 4.433 4.340 0.003 0.000 0.227 619 L C 0.334 177.363 176.870 0.266 0.000 1.127 619 L CA -0.053 54.970 54.840 0.305 0.000 0.884 619 L CB -0.604 41.478 42.059 0.038 0.000 1.065 619 L HN -0.089 nan 8.230 nan 0.000 0.457 620 K N 2.282 122.859 120.400 0.295 0.000 3.772 620 K HA -0.230 4.091 4.320 0.003 0.000 0.274 620 K C 0.119 176.869 176.600 0.249 0.000 0.815 620 K CA 0.737 57.207 56.287 0.306 0.000 0.642 620 K CB -1.066 31.610 32.500 0.293 0.000 1.709 620 K HN 0.677 nan 8.250 nan 0.000 0.438 621 E N -1.078 119.207 120.200 0.143 0.000 2.445 621 E HA 0.301 4.653 4.350 0.003 0.000 0.273 621 E C -0.971 175.544 176.600 -0.142 0.000 0.961 621 E CA -1.273 55.180 56.400 0.088 0.000 0.807 621 E CB 1.298 30.962 29.700 -0.061 0.000 1.362 621 E HN 0.176 nan 8.360 nan 0.000 0.453 622 N N 1.078 119.674 118.700 -0.174 0.000 2.424 622 N HA 0.197 4.939 4.740 0.003 0.000 0.271 622 N C -1.978 173.356 175.510 -0.293 0.000 0.985 622 N CA -2.023 50.732 53.050 -0.492 0.000 0.921 622 N CB 1.550 39.929 38.487 -0.179 0.000 1.149 622 N HN 0.179 nan 8.380 nan 0.000 0.492 623 P HA -0.090 nan 4.420 nan 0.000 0.215 623 P C 0.620 178.095 177.300 0.291 0.000 1.153 623 P CA 1.286 64.350 63.100 -0.061 0.000 0.853 623 P CB 0.059 31.569 31.700 -0.318 0.000 0.788 624 W N 0.572 122.093 121.300 0.368 0.000 2.335 624 W HA -0.123 4.540 4.660 0.005 0.000 0.311 624 W C 2.507 179.080 176.519 0.089 0.000 1.213 624 W CA 0.986 58.495 57.345 0.274 0.000 1.274 624 W CB -0.962 28.659 29.460 0.267 0.000 1.148 624 W HN 0.032 nan 8.180 nan 0.000 0.498 625 E N 0.074 120.453 120.200 0.298 0.000 2.070 625 E HA -0.300 4.052 4.350 0.003 0.000 0.197 625 E C 2.202 178.863 176.600 0.102 0.000 1.004 625 E CA 1.478 57.973 56.400 0.158 0.000 0.805 625 E CB -0.408 29.362 29.700 0.118 0.000 0.744 625 E HN 0.223 nan 8.360 nan 0.000 0.451 626 R N 0.685 121.248 120.500 0.105 0.000 2.120 626 R HA -0.160 4.181 4.340 0.003 0.000 0.234 626 R C 2.347 178.682 176.300 0.058 0.000 1.123 626 R CA 0.815 56.968 56.100 0.088 0.000 0.975 626 R CB -0.168 30.207 30.300 0.126 0.000 0.866 626 R HN 0.137 nan 8.270 nan 0.000 0.446 627 L N 1.053 122.272 121.223 -0.006 0.000 2.291 627 L HA -0.056 4.286 4.340 0.003 0.000 0.214 627 L C 1.327 178.139 176.870 -0.098 0.000 1.120 627 L CA 1.719 56.421 54.840 -0.228 0.000 0.799 627 L CB 0.008 41.635 42.059 -0.719 0.000 0.925 627 L HN 0.170 nan 8.230 nan 0.000 0.446 628 E N -1.291 118.894 120.200 -0.024 0.000 2.162 628 E HA 0.001 4.353 4.350 0.003 0.000 0.193 628 E C 2.128 178.711 176.600 -0.029 0.000 0.953 628 E CA 0.148 56.527 56.400 -0.035 0.000 0.849 628 E CB 0.033 29.738 29.700 0.008 0.000 0.810 628 E HN 0.419 nan 8.360 nan 0.000 0.470 629 R N 0.779 121.281 120.500 0.004 0.000 2.066 629 R HA -0.063 4.279 4.340 0.003 0.000 0.232 629 R C 2.443 178.749 176.300 0.010 0.000 1.131 629 R CA 0.818 56.921 56.100 0.005 0.000 0.955 629 R CB -0.513 29.796 30.300 0.015 0.000 0.851 629 R HN 0.121 nan 8.270 nan 0.000 0.432 630 L N 0.873 122.113 121.223 0.029 0.000 2.131 630 L HA -0.188 4.154 4.340 0.003 0.000 0.210 630 L C 2.757 179.739 176.870 0.188 0.000 1.092 630 L CA 1.280 56.164 54.840 0.074 0.000 0.759 630 L CB -0.212 41.861 42.059 0.023 0.000 0.903 630 L HN 0.049 nan 8.230 nan 0.000 0.435 631 R N 0.343 120.843 120.500 0.000 0.000 2.052 631 R HA -0.158 4.184 4.340 0.003 0.000 0.226 631 R C 2.155 178.323 176.300 -0.219 0.000 1.145 631 R CA 1.594 57.460 56.100 -0.390 0.000 0.952 631 R CB -0.560 29.423 30.300 -0.528 0.000 0.847 631 R HN -0.071 nan 8.270 nan 0.000 0.431 632 K N -0.035 120.289 120.400 -0.127 0.000 2.189 632 K HA -0.093 4.229 4.320 0.003 0.000 0.207 632 K C 1.675 178.248 176.600 -0.045 0.000 1.046 632 K CA 1.849 58.087 56.287 -0.081 0.000 0.928 632 K CB -0.441 32.028 32.500 -0.051 0.000 0.720 632 K HN 0.379 nan 8.250 nan 0.000 0.458 633 A N -0.675 122.137 122.820 -0.012 0.000 1.997 633 A HA 0.210 4.532 4.320 0.003 0.000 0.212 633 A C 0.754 178.378 177.584 0.067 0.000 1.178 633 A CA 0.386 52.439 52.037 0.027 0.000 0.698 633 A CB 0.206 19.230 19.000 0.040 0.000 0.842 633 A HN 0.182 nan 8.150 nan 0.000 0.458 634 I N 1.122 121.748 120.570 0.093 0.000 2.503 634 I HA 0.232 4.404 4.170 0.003 0.000 0.277 634 I C -2.027 174.126 176.117 0.060 0.000 1.078 634 I CA -1.556 59.843 61.300 0.166 0.000 1.184 634 I CB 2.019 40.231 38.000 0.353 0.000 1.353 634 I HN 0.069 nan 8.210 nan 0.000 0.490 635 P HA 0.065 nan 4.420 nan 0.000 0.255 635 P C 0.398 177.704 177.300 0.011 0.000 1.248 635 P CA 0.601 63.685 63.100 -0.026 0.000 0.807 635 P CB 0.137 31.823 31.700 -0.023 0.000 1.150 636 N N -0.579 118.171 118.700 0.083 0.000 2.510 636 N HA 0.024 4.766 4.740 0.003 0.000 0.186 636 N C 0.339 175.890 175.510 0.068 0.000 1.051 636 N CA 0.364 53.467 53.050 0.088 0.000 0.877 636 N CB -0.470 38.115 38.487 0.164 0.000 1.183 636 N HN -0.111 nan 8.380 nan 0.000 0.443 637 V N 1.879 121.870 119.914 0.130 0.000 2.743 637 V HA 0.338 4.459 4.120 0.003 0.000 0.301 637 V C 0.724 176.914 176.094 0.160 0.000 1.057 637 V CA -0.961 61.420 62.300 0.135 0.000 1.006 637 V CB 1.811 33.754 31.823 0.200 0.000 1.024 637 V HN 0.104 nan 8.190 nan 0.000 0.473 638 L N 2.630 123.881 121.223 0.048 0.000 2.439 638 L HA 0.311 4.653 4.340 0.003 0.000 0.269 638 L C -0.664 176.351 176.870 0.241 0.000 1.179 638 L CA 0.049 54.910 54.840 0.034 0.000 0.828 638 L CB 0.330 42.246 42.059 -0.239 0.000 1.106 638 L HN 0.460 nan 8.230 nan 0.000 0.467 639 F N 2.149 122.047 119.950 -0.086 0.000 2.385 639 F HA 0.360 4.890 4.527 0.005 0.000 0.360 639 F C 0.378 176.150 175.800 -0.048 0.000 1.122 639 F CA -0.458 57.506 58.000 -0.060 0.000 1.090 639 F CB 1.201 40.146 39.000 -0.091 0.000 1.150 639 F HN 0.403 nan 8.300 nan 0.000 0.472 640 Q N 5.114 124.946 119.800 0.054 0.000 2.266 640 Q HA 0.755 5.097 4.340 0.003 0.000 0.261 640 Q C -0.973 175.045 176.000 0.029 0.000 0.985 640 Q CA -0.932 54.906 55.803 0.058 0.000 0.873 640 Q CB 2.293 31.095 28.738 0.106 0.000 1.306 640 Q HN 0.812 nan 8.270 nan 0.000 0.447 641 M N 1.749 121.349 119.600 0.001 0.000 2.619 641 M HA 0.529 5.010 4.480 0.003 0.000 0.297 641 M C -1.956 174.384 176.300 0.067 0.000 1.229 641 M CA -1.103 54.214 55.300 0.028 0.000 0.860 641 M CB 1.731 34.325 32.600 -0.010 0.000 1.741 641 M HN 0.542 nan 8.290 nan 0.000 0.462 642 L N 2.832 124.118 121.223 0.104 0.000 2.275 642 L HA 0.719 5.061 4.340 0.003 0.000 0.288 642 L C -1.764 175.283 176.870 0.295 0.000 1.046 642 L CA -0.382 54.558 54.840 0.166 0.000 0.805 642 L CB 1.428 43.528 42.059 0.068 0.000 1.193 642 L HN 0.840 nan 8.230 nan 0.000 0.426 643 L N 5.418 126.909 121.223 0.447 0.000 2.446 643 L HA 0.535 4.876 4.340 0.003 0.000 0.268 643 L C -0.309 176.655 176.870 0.157 0.000 0.975 643 L CA -0.475 54.576 54.840 0.352 0.000 0.848 643 L CB 1.071 43.343 42.059 0.356 0.000 1.225 643 L HN 0.654 nan 8.230 nan 0.000 0.410 644 R N 2.533 122.932 120.500 -0.167 0.000 2.643 644 R HA 0.334 4.676 4.340 0.003 0.000 0.270 644 R C 1.018 177.136 176.300 -0.304 0.000 1.061 644 R CA 0.846 56.510 56.100 -0.726 0.000 1.107 644 R CB 1.450 31.488 30.300 -0.436 0.000 0.999 644 R HN 0.890 nan 8.270 nan 0.000 0.460 645 A N 1.831 124.474 122.820 -0.294 0.000 1.874 645 A HA -0.142 4.180 4.320 0.003 0.000 0.214 645 A C 2.048 179.603 177.584 -0.049 0.000 1.189 645 A CA 1.522 53.500 52.037 -0.099 0.000 0.615 645 A CB -0.680 18.276 19.000 -0.072 0.000 0.830 645 A HN 0.867 nan 8.150 nan 0.000 0.443 646 S N 1.269 116.940 115.700 -0.048 0.000 2.383 646 S HA -0.204 4.268 4.470 0.003 0.000 0.229 646 S C 1.070 175.696 174.600 0.045 0.000 1.030 646 S CA 1.651 59.857 58.200 0.011 0.000 1.002 646 S CB -0.501 62.714 63.200 0.026 0.000 0.829 646 S HN 0.839 nan 8.310 nan 0.000 0.467 647 N N -0.386 118.324 118.700 0.016 0.000 2.081 647 N HA 0.544 5.285 4.740 0.003 0.000 0.230 647 N C 0.695 176.111 175.510 -0.157 0.000 1.351 647 N CA 0.493 53.581 53.050 0.063 0.000 0.840 647 N CB 0.423 39.034 38.487 0.207 0.000 1.189 647 N HN 0.495 nan 8.380 nan 0.000 0.503 648 A N -0.035 122.705 122.820 -0.133 0.000 1.346 648 A HA -0.329 3.993 4.320 0.003 0.000 0.342 648 A C 0.994 178.474 177.584 -0.173 0.000 1.689 648 A CA 2.408 54.349 52.037 -0.160 0.000 1.090 648 A CB -1.696 17.107 19.000 -0.329 0.000 1.472 648 A HN 0.938 nan 8.150 nan 0.000 0.721 649 V N -0.329 119.378 119.914 -0.345 0.000 3.432 649 V HA 0.532 4.653 4.120 0.003 0.000 0.290 649 V C 1.050 177.135 176.094 -0.014 0.000 1.591 649 V CA 1.315 63.509 62.300 -0.177 0.000 1.069 649 V CB 0.058 31.709 31.823 -0.286 0.000 0.892 649 V HN 1.713 nan 8.190 nan 0.000 0.436 650 G N -0.256 108.446 108.800 -0.164 0.000 2.516 650 G HA2 0.223 4.185 3.960 0.003 0.000 0.276 650 G HA3 0.223 4.185 3.960 0.003 0.000 0.276 650 G C 0.270 175.202 174.900 0.053 0.000 1.390 650 G CA 0.544 45.540 45.100 -0.174 0.000 1.050 650 G HN 0.565 nan 8.290 nan 0.000 0.519 651 Y N -0.988 119.229 120.300 -0.138 0.000 2.506 651 Y HA 0.385 4.936 4.550 0.002 0.000 0.287 651 Y C 1.607 177.469 175.900 -0.064 0.000 1.147 651 Y CA 0.346 58.415 58.100 -0.051 0.000 1.241 651 Y CB -0.150 38.267 38.460 -0.072 0.000 1.279 651 Y HN 0.472 nan 8.280 nan 0.000 0.527 652 K N 1.097 120.818 120.400 -1.132 0.000 2.761 652 K HA 0.219 4.541 4.320 0.003 0.000 0.286 652 K C -0.637 175.473 176.600 -0.818 0.000 1.019 652 K CA -0.754 54.936 56.287 -0.994 0.000 1.070 652 K CB 0.122 31.842 32.500 -1.300 0.000 1.387 652 K HN 0.104 nan 8.250 nan 0.000 0.509 653 N N -0.423 117.818 118.700 -0.766 0.000 2.405 653 N HA 0.282 5.024 4.740 0.003 0.000 0.299 653 N C -1.651 173.465 175.510 -0.657 0.000 1.075 653 N CA -0.347 52.402 53.050 -0.501 0.000 0.884 653 N CB 0.948 39.304 38.487 -0.219 0.000 1.194 653 N HN 0.415 nan 8.380 nan 0.000 0.491 654 Y N 0.939 121.168 120.300 -0.117 0.000 2.545 654 Y HA 0.478 5.029 4.550 0.002 0.000 0.348 654 Y C -1.809 174.072 175.900 -0.031 0.000 1.002 654 Y CA -1.706 56.340 58.100 -0.091 0.000 1.039 654 Y CB 1.639 40.032 38.460 -0.111 0.000 1.271 654 Y HN 0.419 nan 8.280 nan 0.000 0.467 655 P HA 0.074 nan 4.420 nan 0.000 0.274 655 P C -0.236 177.137 177.300 0.121 0.000 1.256 655 P CA -0.123 63.040 63.100 0.105 0.000 0.795 655 P CB 1.208 32.964 31.700 0.093 0.000 1.038 656 D N -0.648 119.803 120.400 0.085 0.000 2.311 656 D HA -0.146 4.495 4.640 0.003 0.000 0.212 656 D C 1.642 178.010 176.300 0.113 0.000 0.972 656 D CA 0.946 55.000 54.000 0.089 0.000 0.887 656 D CB -0.633 40.185 40.800 0.030 0.000 0.915 656 D HN 0.487 nan 8.370 nan 0.000 0.497 657 N N 0.084 118.860 118.700 0.127 0.000 2.013 657 N HA -0.159 4.583 4.740 0.003 0.000 0.195 657 N C 1.810 177.506 175.510 0.309 0.000 1.051 657 N CA 2.087 55.252 53.050 0.191 0.000 0.851 657 N CB 0.255 38.913 38.487 0.286 0.000 1.044 657 N HN 0.104 nan 8.380 nan 0.000 0.422 658 V N -1.145 118.969 119.914 0.333 0.000 3.306 658 V HA 0.007 4.129 4.120 0.003 0.000 0.264 658 V C 2.058 178.294 176.094 0.237 0.000 1.149 658 V CA 0.551 63.063 62.300 0.353 0.000 1.143 658 V CB -0.456 31.469 31.823 0.169 0.000 0.767 658 V HN 0.224 nan 8.190 nan 0.000 0.476 659 I N 0.985 121.675 120.570 0.199 0.000 2.202 659 I HA -0.116 4.056 4.170 0.003 0.000 0.242 659 I C 2.554 178.813 176.117 0.237 0.000 1.091 659 I CA 1.847 63.258 61.300 0.186 0.000 1.368 659 I CB -1.496 36.591 38.000 0.146 0.000 1.058 659 I HN 0.353 nan 8.210 nan 0.000 0.410 660 H N 1.383 120.514 119.070 0.103 0.000 2.254 660 H HA -0.204 4.354 4.556 0.003 0.000 0.294 660 H C 2.209 177.577 175.328 0.068 0.000 1.071 660 H CA 2.181 58.257 56.048 0.047 0.000 1.228 660 H CB -0.183 29.570 29.762 -0.015 0.000 1.358 660 H HN 0.049 nan 8.280 nan 0.000 0.495 661 K N -0.137 120.380 120.400 0.196 0.000 2.113 661 K HA -0.137 4.184 4.320 0.003 0.000 0.208 661 K C 2.048 178.778 176.600 0.218 0.000 1.047 661 K CA 1.295 57.646 56.287 0.106 0.000 0.928 661 K CB -0.638 31.838 32.500 -0.040 0.000 0.716 661 K HN 0.205 nan 8.250 nan 0.000 0.446 662 F N 0.638 120.702 119.950 0.189 0.000 2.046 662 F HA -0.252 4.276 4.527 0.003 0.000 0.297 662 F C 1.867 177.851 175.800 0.308 0.000 1.123 662 F CA 1.381 59.536 58.000 0.259 0.000 1.199 662 F CB -0.584 38.527 39.000 0.185 0.000 0.972 662 F HN -0.214 nan 8.300 nan 0.000 0.474 663 V N 0.846 120.911 119.914 0.250 0.000 2.252 663 V HA -0.371 3.750 4.120 0.003 0.000 0.249 663 V C 2.552 178.634 176.094 -0.021 0.000 1.056 663 V CA 2.286 64.650 62.300 0.107 0.000 1.022 663 V CB -0.894 30.881 31.823 -0.079 0.000 0.641 663 V HN 0.432 nan 8.190 nan 0.000 0.445 664 Q N -0.601 119.173 119.800 -0.044 0.000 2.096 664 Q HA -0.200 4.142 4.340 0.003 0.000 0.204 664 Q C 2.319 178.292 176.000 -0.044 0.000 0.982 664 Q CA 1.468 57.231 55.803 -0.066 0.000 0.850 664 Q CB -0.365 28.341 28.738 -0.054 0.000 0.901 664 Q HN 0.645 nan 8.270 nan 0.000 0.422 665 E N 0.159 120.336 120.200 -0.040 0.000 2.107 665 E HA -0.027 4.325 4.350 0.003 0.000 0.191 665 E C 2.135 178.727 176.600 -0.013 0.000 0.982 665 E CA 0.505 56.850 56.400 -0.091 0.000 0.809 665 E CB -0.049 29.527 29.700 -0.206 0.000 0.756 665 E HN 0.187 nan 8.360 nan 0.000 0.459 666 S N 1.129 116.878 115.700 0.082 0.000 2.370 666 S HA -0.164 4.307 4.470 0.003 0.000 0.226 666 S C 2.032 176.720 174.600 0.147 0.000 1.033 666 S CA 1.332 59.633 58.200 0.169 0.000 1.011 666 S CB -0.112 63.097 63.200 0.014 0.000 0.852 666 S HN 0.394 nan 8.310 nan 0.000 0.457 667 A N 0.738 123.685 122.820 0.211 0.000 2.072 667 A HA 0.128 4.450 4.320 0.003 0.000 0.216 667 A C 1.952 179.551 177.584 0.025 0.000 1.156 667 A CA 0.690 52.833 52.037 0.176 0.000 0.701 667 A CB -0.176 18.887 19.000 0.106 0.000 0.816 667 A HN 0.201 nan 8.150 nan 0.000 0.458 668 K N -0.120 120.274 120.400 -0.010 0.000 2.432 668 K HA 0.155 4.477 4.320 0.003 0.000 0.196 668 K C 1.266 177.831 176.600 -0.059 0.000 1.038 668 K CA 0.921 57.180 56.287 -0.047 0.000 0.986 668 K CB -0.027 32.436 32.500 -0.061 0.000 0.782 668 K HN 0.398 nan 8.250 nan 0.000 0.485 669 A N -0.961 121.830 122.820 -0.048 0.000 2.431 669 A HA 0.384 4.706 4.320 0.003 0.000 0.239 669 A C 1.112 178.622 177.584 -0.124 0.000 1.230 669 A CA 0.686 52.685 52.037 -0.062 0.000 0.928 669 A CB 0.638 19.637 19.000 -0.001 0.000 1.006 669 A HN 0.350 nan 8.150 nan 0.000 0.520 670 G N -0.525 108.191 108.800 -0.140 0.000 4.203 670 G HA2 0.083 4.045 3.960 0.003 0.000 0.197 670 G HA3 0.083 4.045 3.960 0.003 0.000 0.197 670 G C 0.006 174.813 174.900 -0.156 0.000 1.112 670 G CA -0.097 44.864 45.100 -0.233 0.000 0.856 670 G HN 0.135 nan 8.290 nan 0.000 0.317 671 I N 2.852 123.381 120.570 -0.068 0.000 2.775 671 I HA 0.231 4.403 4.170 0.003 0.000 0.290 671 I C -0.194 176.012 176.117 0.148 0.000 1.203 671 I CA 1.067 62.382 61.300 0.025 0.000 1.433 671 I CB 0.681 38.583 38.000 -0.163 0.000 1.354 671 I HN 0.421 nan 8.210 nan 0.000 0.579 672 D N 3.696 124.182 120.400 0.142 0.000 2.636 672 D HA 0.196 4.838 4.640 0.003 0.000 0.270 672 D C 0.501 176.890 176.300 0.148 0.000 1.430 672 D CA -0.047 54.037 54.000 0.140 0.000 0.796 672 D CB 0.490 41.307 40.800 0.027 0.000 1.117 672 D HN 0.268 nan 8.370 nan 0.000 0.480 673 V N -0.446 119.592 119.914 0.206 0.000 3.432 673 V HA 0.177 4.299 4.120 0.003 0.000 0.290 673 V C 0.129 176.411 176.094 0.313 0.000 1.591 673 V CA -0.580 61.861 62.300 0.236 0.000 1.069 673 V CB -0.817 31.135 31.823 0.214 0.000 0.892 673 V HN 0.127 nan 8.190 nan 0.000 0.436 674 F N 2.538 122.574 119.950 0.144 0.000 2.175 674 F HA -0.252 4.277 4.527 0.003 0.000 0.125 674 F C 1.162 177.087 175.800 0.209 0.000 1.042 674 F CA 0.848 58.950 58.000 0.171 0.000 0.724 674 F CB -0.450 38.628 39.000 0.131 0.000 0.611 674 F HN 0.229 nan 8.300 nan 0.000 0.788 675 R N 3.561 124.231 120.500 0.283 0.000 2.291 675 R HA 0.351 4.693 4.340 0.003 0.000 0.333 675 R C -0.268 176.241 176.300 0.349 0.000 1.082 675 R CA -0.234 56.027 56.100 0.268 0.000 0.948 675 R CB 0.105 30.490 30.300 0.142 0.000 1.009 675 R HN 0.468 nan 8.270 nan 0.000 0.460 676 I N 6.758 127.558 120.570 0.385 0.000 2.353 676 I HA 0.314 4.486 4.170 0.003 0.000 0.293 676 I C -0.228 176.103 176.117 0.358 0.000 0.992 676 I CA -0.631 60.900 61.300 0.384 0.000 1.268 676 I CB 0.812 39.062 38.000 0.416 0.000 1.387 676 I HN 0.494 nan 8.210 nan 0.000 0.478 677 F N 3.394 123.407 119.950 0.105 0.000 2.643 677 F HA 0.724 5.254 4.527 0.005 0.000 0.314 677 F C -1.415 174.435 175.800 0.083 0.000 1.096 677 F CA -1.456 56.584 58.000 0.067 0.000 0.953 677 F CB 1.361 40.393 39.000 0.052 0.000 1.345 677 F HN 0.328 nan 8.300 nan 0.000 0.468 678 D N -0.051 120.373 120.400 0.041 0.000 2.649 678 D HA 0.408 5.050 4.640 0.003 0.000 0.249 678 D C -0.030 176.365 176.300 0.158 0.000 1.112 678 D CA -0.516 53.473 54.000 -0.020 0.000 0.850 678 D CB 2.330 43.178 40.800 0.081 0.000 1.399 678 D HN 0.571 nan 8.370 nan 0.000 0.503 679 S N 2.309 118.080 115.700 0.117 0.000 2.493 679 S HA -0.066 4.405 4.470 0.003 0.000 0.243 679 S C 1.245 175.958 174.600 0.189 0.000 0.991 679 S CA 0.746 59.072 58.200 0.209 0.000 0.957 679 S CB -0.100 63.198 63.200 0.162 0.000 0.756 679 S HN 0.562 nan 8.310 nan 0.000 0.521 680 L N 0.436 121.773 121.223 0.190 0.000 3.298 680 L HA 0.325 4.666 4.340 0.003 0.000 0.296 680 L C -0.370 176.631 176.870 0.220 0.000 1.237 680 L CA -0.242 54.709 54.840 0.184 0.000 1.038 680 L CB 0.048 42.192 42.059 0.142 0.000 1.423 680 L HN -0.018 nan 8.230 nan 0.000 0.605 681 N N 0.090 118.928 118.700 0.231 0.000 2.725 681 N HA -0.245 4.497 4.740 0.003 0.000 0.251 681 N C -0.941 174.713 175.510 0.240 0.000 1.031 681 N CA 0.698 53.876 53.050 0.214 0.000 0.720 681 N CB -1.053 37.571 38.487 0.228 0.000 0.930 681 N HN 0.415 nan 8.380 nan 0.000 0.543 682 W N 0.724 122.035 121.300 0.018 0.000 2.283 682 W HA 0.496 5.157 4.660 0.002 0.000 0.317 682 W C 0.742 177.253 176.519 -0.014 0.000 1.042 682 W CA -1.007 56.334 57.345 -0.008 0.000 1.348 682 W CB 0.327 29.779 29.460 -0.014 0.000 1.216 682 W HN -0.023 nan 8.180 nan 0.000 0.404 683 V N 4.705 124.560 119.914 -0.097 0.000 2.809 683 V HA -0.244 3.877 4.120 0.003 0.000 0.256 683 V C 1.730 177.624 176.094 -0.333 0.000 1.080 683 V CA 2.134 64.329 62.300 -0.175 0.000 1.102 683 V CB -0.780 30.980 31.823 -0.105 0.000 0.705 683 V HN 0.592 nan 8.190 nan 0.000 0.475 684 D N 0.258 120.235 120.400 -0.704 0.000 2.123 684 D HA -0.255 4.387 4.640 0.003 0.000 0.196 684 D C 2.214 178.084 176.300 -0.717 0.000 0.992 684 D CA 1.422 54.932 54.000 -0.817 0.000 0.833 684 D CB 0.019 40.016 40.800 -1.339 0.000 0.954 684 D HN 0.473 nan 8.370 nan 0.000 0.455 685 Q N -0.851 118.462 119.800 -0.811 0.000 2.378 685 Q HA 0.079 4.421 4.340 0.003 0.000 0.205 685 Q C 1.736 177.631 176.000 -0.175 0.000 0.954 685 Q CA 0.600 56.157 55.803 -0.410 0.000 0.901 685 Q CB 0.062 28.679 28.738 -0.202 0.000 0.981 685 Q HN 0.339 nan 8.270 nan 0.000 0.483 686 M N -0.288 119.229 119.600 -0.140 0.000 2.562 686 M HA -0.072 4.409 4.480 0.003 0.000 0.257 686 M C 1.797 178.140 176.300 0.071 0.000 1.099 686 M CA 0.719 56.027 55.300 0.013 0.000 1.099 686 M CB 0.026 32.653 32.600 0.046 0.000 1.427 686 M HN 0.129 nan 8.290 nan 0.000 0.489 687 K N 0.986 121.372 120.400 -0.024 0.000 1.971 687 K HA -0.192 4.130 4.320 0.003 0.000 0.221 687 K C 1.644 178.244 176.600 -0.001 0.000 1.050 687 K CA 2.115 58.392 56.287 -0.015 0.000 0.967 687 K CB -0.330 32.122 32.500 -0.081 0.000 0.733 687 K HN 0.107 nan 8.250 nan 0.000 0.445 688 V N 1.604 121.516 119.914 -0.003 0.000 2.250 688 V HA -0.347 3.775 4.120 0.003 0.000 0.250 688 V C 2.582 178.683 176.094 0.011 0.000 1.060 688 V CA 2.263 64.586 62.300 0.039 0.000 1.030 688 V CB -1.160 30.700 31.823 0.063 0.000 0.643 688 V HN 0.629 nan 8.190 nan 0.000 0.445 689 A N 0.488 123.322 122.820 0.025 0.000 1.884 689 A HA -0.382 3.940 4.320 0.003 0.000 0.219 689 A C 2.090 179.665 177.584 -0.015 0.000 1.197 689 A CA 2.794 54.853 52.037 0.037 0.000 0.637 689 A CB -1.023 18.037 19.000 0.100 0.000 0.827 689 A HN 0.659 nan 8.150 nan 0.000 0.450 690 N N -0.221 118.479 118.700 -0.000 0.000 2.120 690 N HA -0.162 4.580 4.740 0.003 0.000 0.188 690 N C 1.614 176.993 175.510 -0.219 0.000 1.024 690 N CA 2.028 54.966 53.050 -0.186 0.000 0.852 690 N CB -0.323 37.998 38.487 -0.278 0.000 1.003 690 N HN 0.660 nan 8.380 nan 0.000 0.424 691 E N -0.865 119.252 120.200 -0.138 0.000 2.285 691 E HA 0.024 4.376 4.350 0.003 0.000 0.194 691 E C 1.583 178.073 176.600 -0.184 0.000 0.997 691 E CA 0.713 57.044 56.400 -0.115 0.000 0.845 691 E CB -0.039 29.647 29.700 -0.024 0.000 0.782 691 E HN 0.507 nan 8.360 nan 0.000 0.491 692 A N 0.671 123.288 122.820 -0.339 0.000 2.072 692 A HA -0.012 4.310 4.320 0.003 0.000 0.216 692 A C 2.298 179.610 177.584 -0.453 0.000 1.156 692 A CA 0.413 52.045 52.037 -0.674 0.000 0.701 692 A CB 0.011 18.464 19.000 -0.912 0.000 0.816 692 A HN 0.075 nan 8.150 nan 0.000 0.458 693 V N -0.086 119.604 119.914 -0.373 0.000 2.407 693 V HA -0.188 3.934 4.120 0.003 0.000 0.245 693 V C 2.604 178.534 176.094 -0.274 0.000 1.041 693 V CA 1.649 63.700 62.300 -0.414 0.000 1.040 693 V CB -0.650 30.944 31.823 -0.382 0.000 0.671 693 V HN 0.511 nan 8.190 nan 0.000 0.455 694 Q N 0.178 119.861 119.800 -0.196 0.000 2.077 694 Q HA -0.294 4.048 4.340 0.003 0.000 0.206 694 Q C 2.217 178.156 176.000 -0.102 0.000 0.989 694 Q CA 2.026 57.764 55.803 -0.109 0.000 0.853 694 Q CB -0.430 28.249 28.738 -0.098 0.000 0.907 694 Q HN 0.737 nan 8.270 nan 0.000 0.418 695 E N 0.177 120.305 120.200 -0.121 0.000 2.150 695 E HA -0.097 4.255 4.350 0.003 0.000 0.193 695 E C 1.605 178.138 176.600 -0.112 0.000 0.985 695 E CA 0.781 57.126 56.400 -0.092 0.000 0.814 695 E CB 0.070 29.732 29.700 -0.064 0.000 0.752 695 E HN 0.301 nan 8.360 nan 0.000 0.466 696 A N 0.145 122.862 122.820 -0.171 0.000 2.209 696 A HA 0.105 4.426 4.320 0.003 0.000 0.212 696 A C 1.782 179.282 177.584 -0.140 0.000 1.158 696 A CA 1.114 53.044 52.037 -0.178 0.000 0.742 696 A CB -0.566 18.263 19.000 -0.286 0.000 0.790 696 A HN 0.452 nan 8.150 nan 0.000 0.472 697 G N -1.084 107.642 108.800 -0.123 0.000 2.155 697 G HA2 -0.258 3.704 3.960 0.003 0.000 0.257 697 G HA3 -0.258 3.704 3.960 0.003 0.000 0.257 697 G C 0.236 175.071 174.900 -0.108 0.000 0.983 697 G CA 0.837 45.881 45.100 -0.092 0.000 0.676 697 G HN 0.497 nan 8.290 nan 0.000 0.528 698 K N -0.425 119.890 120.400 -0.142 0.000 2.245 698 K HA 0.649 4.970 4.320 0.003 0.000 0.234 698 K C 0.916 177.397 176.600 -0.198 0.000 1.021 698 K CA -1.111 55.104 56.287 -0.120 0.000 0.898 698 K CB 1.280 33.758 32.500 -0.036 0.000 1.163 698 K HN 0.201 nan 8.250 nan 0.000 0.459 699 I N 0.875 121.360 120.570 -0.141 0.000 2.634 699 I HA -0.034 4.138 4.170 0.003 0.000 0.284 699 I C 0.742 176.861 176.117 0.003 0.000 1.124 699 I CA 0.211 61.389 61.300 -0.202 0.000 1.417 699 I CB 0.792 38.797 38.000 0.008 0.000 1.396 699 I HN 0.331 nan 8.210 nan 0.000 0.571 700 S N 5.474 121.210 115.700 0.060 0.000 2.640 700 S HA 0.229 4.701 4.470 0.003 0.000 0.320 700 S C -0.483 174.376 174.600 0.432 0.000 1.097 700 S CA -0.739 57.613 58.200 0.253 0.000 1.092 700 S CB 0.737 63.992 63.200 0.092 0.000 0.988 700 S HN 0.635 nan 8.310 nan 0.000 0.470 701 E N 4.057 124.513 120.200 0.428 0.000 2.001 701 E HA 0.453 4.805 4.350 0.003 0.000 0.279 701 E C 0.405 177.236 176.600 0.385 0.000 1.045 701 E CA -0.497 56.136 56.400 0.388 0.000 0.833 701 E CB 0.347 30.212 29.700 0.274 0.000 1.077 701 E HN 0.757 nan 8.360 nan 0.000 0.397 702 G N 3.451 112.470 108.800 0.364 0.000 2.358 702 G HA2 0.217 4.179 3.960 0.003 0.000 0.273 702 G HA3 0.217 4.179 3.960 0.003 0.000 0.273 702 G C -0.380 174.470 174.900 -0.084 0.000 1.215 702 G CA -0.159 44.843 45.100 -0.162 0.000 0.910 702 G HN 0.457 nan 8.290 nan 0.000 0.467 703 T N 2.478 116.988 114.554 -0.073 0.000 2.863 703 T HA 0.510 4.861 4.350 0.003 0.000 0.285 703 T C 0.018 174.740 174.700 0.036 0.000 1.009 703 T CA -0.233 61.880 62.100 0.021 0.000 0.989 703 T CB 1.490 70.409 68.868 0.086 0.000 1.004 703 T HN 0.352 nan 8.240 nan 0.000 0.455 704 I N 1.452 122.070 120.570 0.079 0.000 2.377 704 I HA 0.356 4.528 4.170 0.003 0.000 0.293 704 I C 0.020 176.268 176.117 0.219 0.000 0.987 704 I CA -0.763 60.634 61.300 0.162 0.000 1.185 704 I CB 1.301 39.431 38.000 0.217 0.000 1.341 704 I HN 0.528 nan 8.210 nan 0.000 0.455 705 C N 5.258 124.719 119.300 0.268 0.000 2.527 705 C HA 0.168 4.630 4.460 0.003 0.000 0.396 705 C C 0.050 175.294 174.990 0.422 0.000 1.289 705 C CA -0.257 58.926 59.018 0.276 0.000 2.047 705 C CB -0.300 27.587 27.740 0.245 0.000 2.568 705 C HN 0.567 nan 8.230 nan 0.000 0.573 706 Y N 3.039 123.474 120.300 0.224 0.000 2.404 706 Y HA 0.450 4.998 4.550 -0.002 0.000 0.344 706 Y C 0.380 176.414 175.900 0.223 0.000 0.970 706 Y CA 0.228 58.484 58.100 0.260 0.000 1.180 706 Y CB 0.440 38.935 38.460 0.059 0.000 1.138 706 Y HN 0.781 nan 8.280 nan 0.000 0.510 707 T N 4.135 118.584 114.554 -0.174 0.000 2.907 707 T HA 0.768 5.120 4.350 0.003 0.000 0.292 707 T C 0.197 174.586 174.700 -0.518 0.000 1.043 707 T CA -0.120 61.755 62.100 -0.375 0.000 1.003 707 T CB 1.464 70.037 68.868 -0.491 0.000 1.084 707 T HN 1.150 nan 8.240 nan 0.000 0.483 708 G N 1.513 110.071 108.800 -0.403 0.000 2.481 708 G HA2 0.097 4.059 3.960 0.003 0.000 0.230 708 G HA3 0.097 4.059 3.960 0.003 0.000 0.230 708 G C -1.257 173.570 174.900 -0.121 0.000 1.210 708 G CA 0.208 45.168 45.100 -0.234 0.000 0.936 708 G HN 1.029 nan 8.290 nan 0.000 0.583 709 D N -0.900 119.499 120.400 -0.002 0.000 2.688 709 D HA 0.431 5.073 4.640 0.003 0.000 0.210 709 D C 1.174 177.559 176.300 0.141 0.000 1.333 709 D CA 0.174 54.236 54.000 0.104 0.000 0.920 709 D CB 0.549 41.402 40.800 0.087 0.000 1.554 709 D HN 1.075 nan 8.370 nan 0.000 0.579 710 I N 0.932 121.631 120.570 0.215 0.000 2.876 710 I HA 0.085 4.257 4.170 0.003 0.000 0.264 710 I C 1.234 177.432 176.117 0.135 0.000 1.204 710 I CA 0.259 61.683 61.300 0.208 0.000 1.485 710 I CB -0.047 38.118 38.000 0.275 0.000 1.103 710 I HN 0.321 nan 8.210 nan 0.000 0.446 711 L N 0.946 122.233 121.223 0.106 0.000 2.156 711 L HA -0.009 4.333 4.340 0.003 0.000 0.208 711 L C 1.262 178.160 176.870 0.047 0.000 1.095 711 L CA 0.872 55.750 54.840 0.063 0.000 0.770 711 L CB -0.607 41.471 42.059 0.032 0.000 0.914 711 L HN 0.383 nan 8.230 nan 0.000 0.439 712 N N 0.818 119.547 118.700 0.048 0.000 2.469 712 N HA 0.103 4.845 4.740 0.003 0.000 0.239 712 N C -1.836 173.703 175.510 0.049 0.000 1.053 712 N CA -1.402 51.670 53.050 0.037 0.000 0.937 712 N CB 1.519 40.023 38.487 0.029 0.000 1.163 712 N HN -0.108 nan 8.380 nan 0.000 0.509 713 P HA -0.129 nan 4.420 nan 0.000 0.222 713 P C -0.582 176.746 177.300 0.046 0.000 1.142 713 P CA 1.293 64.421 63.100 0.046 0.000 0.788 713 P CB 0.214 31.936 31.700 0.035 0.000 0.767 714 E N -2.781 117.444 120.200 0.041 0.000 4.017 714 E HA 0.222 4.574 4.350 0.003 0.000 0.205 714 E C 1.137 177.766 176.600 0.049 0.000 1.054 714 E CA -0.571 55.855 56.400 0.042 0.000 1.398 714 E CB -0.152 29.564 29.700 0.025 0.000 1.164 714 E HN -0.236 nan 8.360 nan 0.000 0.445 715 R N 0.282 120.825 120.500 0.071 0.000 2.057 715 R HA 0.195 4.537 4.340 0.003 0.000 0.229 715 R C 0.756 177.169 176.300 0.188 0.000 1.136 715 R CA 1.354 57.517 56.100 0.104 0.000 0.952 715 R CB -0.149 30.210 30.300 0.099 0.000 0.848 715 R HN 0.373 nan 8.270 nan 0.000 0.430 716 S N -2.229 113.567 115.700 0.161 0.000 3.848 716 S HA 0.403 4.875 4.470 0.003 0.000 0.266 716 S C 0.792 175.452 174.600 0.099 0.000 1.050 716 S CA -0.067 58.241 58.200 0.181 0.000 1.322 716 S CB 0.160 63.474 63.200 0.191 0.000 1.264 716 S HN 0.166 nan 8.310 nan 0.000 0.751 717 I N -0.544 119.970 120.570 -0.095 0.000 4.198 717 I HA -0.294 3.878 4.170 0.003 0.000 0.096 717 I C 0.045 175.770 176.117 -0.652 0.000 0.540 717 I CA 2.028 63.129 61.300 -0.330 0.000 1.132 717 I CB -2.097 35.661 38.000 -0.404 0.000 1.005 717 I HN 0.716 nan 8.210 nan 0.000 0.186 718 Y N 3.314 123.310 120.300 -0.506 0.000 2.832 718 Y HA 0.362 4.916 4.550 0.007 0.000 0.372 718 Y C 1.476 177.220 175.900 -0.259 0.000 1.238 718 Y CA 0.230 57.869 58.100 -0.769 0.000 1.713 718 Y CB -0.091 38.022 38.460 -0.578 0.000 1.809 718 Y HN 0.371 nan 8.280 nan 0.000 0.472 719 T N -3.510 111.033 114.554 -0.019 0.000 2.867 719 T HA 0.170 4.522 4.350 0.003 0.000 0.286 719 T C 1.075 175.994 174.700 0.365 0.000 1.022 719 T CA -0.736 61.471 62.100 0.179 0.000 0.933 719 T CB 0.812 69.748 68.868 0.114 0.000 1.280 719 T HN 0.322 nan 8.240 nan 0.000 0.566 720 L N 0.116 121.522 121.223 0.305 0.000 2.109 720 L HA 0.201 4.542 4.340 0.003 0.000 0.207 720 L C 2.621 179.633 176.870 0.237 0.000 1.086 720 L CA 1.720 56.748 54.840 0.314 0.000 0.760 720 L CB -0.896 41.279 42.059 0.193 0.000 0.910 720 L HN 0.909 nan 8.230 nan 0.000 0.437 721 E N -1.816 118.483 120.200 0.165 0.000 2.268 721 E HA -0.289 4.063 4.350 0.003 0.000 0.195 721 E C 1.970 178.632 176.600 0.102 0.000 0.995 721 E CA 1.131 57.596 56.400 0.108 0.000 0.836 721 E CB -0.238 29.507 29.700 0.075 0.000 0.763 721 E HN 0.686 nan 8.360 nan 0.000 0.491 722 Y N -0.665 119.622 120.300 -0.020 0.000 2.243 722 Y HA -0.188 4.363 4.550 0.003 0.000 0.293 722 Y C 1.312 177.128 175.900 -0.141 0.000 1.124 722 Y CA 1.596 59.607 58.100 -0.148 0.000 1.159 722 Y CB -0.308 37.968 38.460 -0.305 0.000 1.008 722 Y HN 0.066 nan 8.280 nan 0.000 0.527 723 Y N -0.836 119.405 120.300 -0.097 0.000 2.263 723 Y HA -0.167 4.385 4.550 0.003 0.000 0.292 723 Y C 2.565 178.382 175.900 -0.138 0.000 1.130 723 Y CA 1.456 59.451 58.100 -0.175 0.000 1.179 723 Y CB -0.654 37.849 38.460 0.072 0.000 0.998 723 Y HN -0.040 nan 8.280 nan 0.000 0.532 724 V N 0.917 120.879 119.914 0.080 0.000 2.287 724 V HA -0.343 3.779 4.120 0.003 0.000 0.248 724 V C 2.529 178.604 176.094 -0.031 0.000 1.053 724 V CA 2.189 64.505 62.300 0.027 0.000 1.027 724 V CB -0.562 31.283 31.823 0.035 0.000 0.646 724 V HN 0.371 nan 8.190 nan 0.000 0.447 725 K N -0.104 120.253 120.400 -0.072 0.000 2.097 725 K HA -0.185 4.136 4.320 0.003 0.000 0.206 725 K C 2.070 178.595 176.600 -0.124 0.000 1.049 725 K CA 1.656 57.889 56.287 -0.090 0.000 0.933 725 K CB -0.304 32.141 32.500 -0.092 0.000 0.717 725 K HN 0.351 nan 8.250 nan 0.000 0.442 726 L N 1.097 122.194 121.223 -0.209 0.000 2.141 726 L HA -0.087 4.255 4.340 0.003 0.000 0.209 726 L C 2.569 179.376 176.870 -0.106 0.000 1.094 726 L CA 1.781 56.505 54.840 -0.192 0.000 0.763 726 L CB -0.700 41.180 42.059 -0.298 0.000 0.908 726 L HN 0.231 nan 8.230 nan 0.000 0.437 727 A N -0.952 121.829 122.820 -0.066 0.000 1.897 727 A HA -0.177 4.145 4.320 0.003 0.000 0.215 727 A C 2.318 179.885 177.584 -0.027 0.000 1.181 727 A CA 1.307 53.324 52.037 -0.034 0.000 0.620 727 A CB -0.354 18.644 19.000 -0.003 0.000 0.821 727 A HN 0.311 nan 8.150 nan 0.000 0.443 728 K N -0.476 119.909 120.400 -0.026 0.000 2.281 728 K HA -0.168 4.154 4.320 0.003 0.000 0.203 728 K C 1.975 178.567 176.600 -0.014 0.000 1.046 728 K CA 1.462 57.740 56.287 -0.016 0.000 0.938 728 K CB -0.039 32.451 32.500 -0.016 0.000 0.737 728 K HN 0.698 nan 8.250 nan 0.000 0.458 729 E N 0.771 120.953 120.200 -0.029 0.000 2.051 729 E HA -0.089 4.263 4.350 0.003 0.000 0.189 729 E C 1.862 178.460 176.600 -0.003 0.000 0.979 729 E CA 0.464 56.850 56.400 -0.023 0.000 0.803 729 E CB 0.130 29.803 29.700 -0.045 0.000 0.761 729 E HN 0.185 nan 8.360 nan 0.000 0.451 730 L N 0.984 122.188 121.223 -0.033 0.000 2.131 730 L HA -0.170 4.172 4.340 0.003 0.000 0.210 730 L C 2.599 179.554 176.870 0.143 0.000 1.092 730 L CA 1.167 55.992 54.840 -0.026 0.000 0.759 730 L CB -0.308 41.619 42.059 -0.221 0.000 0.903 730 L HN 0.274 nan 8.230 nan 0.000 0.435 731 E N -0.015 120.231 120.200 0.076 0.000 2.072 731 E HA -0.193 4.159 4.350 0.003 0.000 0.190 731 E C 2.312 178.946 176.600 0.057 0.000 0.982 731 E CA 0.637 57.081 56.400 0.073 0.000 0.803 731 E CB 0.202 29.923 29.700 0.036 0.000 0.755 731 E HN 0.259 nan 8.360 nan 0.000 0.453 732 R N 0.608 121.133 120.500 0.042 0.000 2.115 732 R HA -0.056 4.286 4.340 0.003 0.000 0.230 732 R C 1.542 177.865 176.300 0.038 0.000 1.111 732 R CA 0.773 56.889 56.100 0.026 0.000 0.976 732 R CB -0.152 30.155 30.300 0.012 0.000 0.870 732 R HN 0.249 nan 8.270 nan 0.000 0.445 733 E N -0.316 119.937 120.200 0.090 0.000 2.476 733 E HA 0.081 4.433 4.350 0.003 0.000 0.191 733 E C 0.613 177.281 176.600 0.114 0.000 1.064 733 E CA 0.444 56.918 56.400 0.122 0.000 0.866 733 E CB 0.133 29.953 29.700 0.200 0.000 0.952 733 E HN 0.436 nan 8.360 nan 0.000 0.492 734 G N 1.507 110.354 108.800 0.078 0.000 2.182 734 G HA2 -0.278 3.684 3.960 0.003 0.000 0.248 734 G HA3 -0.278 3.684 3.960 0.003 0.000 0.248 734 G C -0.171 174.632 174.900 -0.162 0.000 1.042 734 G CA -0.281 44.780 45.100 -0.065 0.000 0.775 734 G HN 0.160 nan 8.290 nan 0.000 0.501 735 F N 0.172 120.071 119.950 -0.084 0.000 2.389 735 F HA 0.471 5.001 4.527 0.004 0.000 0.337 735 F C 1.878 177.645 175.800 -0.055 0.000 1.112 735 F CA -0.346 57.638 58.000 -0.028 0.000 1.192 735 F CB 0.679 39.708 39.000 0.048 0.000 1.185 735 F HN 0.136 nan 8.300 nan 0.000 0.552 736 H N 2.406 121.602 119.070 0.211 0.000 2.384 736 H HA 0.241 4.798 4.556 0.003 0.000 0.300 736 H C 0.172 175.609 175.328 0.181 0.000 1.057 736 H CA 1.200 57.344 56.048 0.161 0.000 1.370 736 H CB 0.555 30.402 29.762 0.142 0.000 1.417 736 H HN 0.266 nan 8.280 nan 0.000 0.527 737 I N 1.539 122.316 120.570 0.346 0.000 2.534 737 I HA 0.078 4.250 4.170 0.003 0.000 0.288 737 I C -1.020 175.214 176.117 0.196 0.000 1.077 737 I CA -0.926 60.518 61.300 0.241 0.000 1.051 737 I CB 3.138 41.292 38.000 0.256 0.000 1.234 737 I HN -0.077 nan 8.210 nan 0.000 0.425 738 L N 7.138 128.432 121.223 0.119 0.000 2.319 738 L HA 0.761 5.103 4.340 0.003 0.000 0.280 738 L C -0.095 176.820 176.870 0.076 0.000 1.099 738 L CA 0.461 55.344 54.840 0.073 0.000 0.828 738 L CB 0.803 42.885 42.059 0.039 0.000 1.150 738 L HN 0.687 nan 8.230 nan 0.000 0.442 739 A N 6.025 128.881 122.820 0.061 0.000 2.356 739 A HA 0.807 5.128 4.320 0.003 0.000 0.323 739 A C -0.982 176.621 177.584 0.033 0.000 1.119 739 A CA -0.670 51.397 52.037 0.051 0.000 0.790 739 A CB 1.089 20.089 19.000 -0.001 0.000 1.273 739 A HN 0.586 nan 8.150 nan 0.000 0.452 740 I N 1.695 122.283 120.570 0.029 0.000 2.382 740 I HA 0.327 4.499 4.170 0.003 0.000 0.286 740 I C 0.039 176.163 176.117 0.012 0.000 1.002 740 I CA -0.285 61.027 61.300 0.020 0.000 1.135 740 I CB 1.249 39.230 38.000 -0.031 0.000 1.288 740 I HN 0.742 nan 8.210 nan 0.000 0.448 741 K N 4.555 124.953 120.400 -0.003 0.000 2.227 741 K HA 0.240 4.562 4.320 0.003 0.000 0.280 741 K C -0.698 175.907 176.600 0.008 0.000 1.041 741 K CA -0.291 55.932 56.287 -0.106 0.000 0.905 741 K CB 0.958 33.327 32.500 -0.219 0.000 1.068 741 K HN 0.422 nan 8.250 nan 0.000 0.470 742 D N 5.816 126.209 120.400 -0.011 0.000 2.412 742 D HA 0.069 4.710 4.640 0.003 0.000 0.276 742 D C 1.161 177.556 176.300 0.159 0.000 1.196 742 D CA -0.514 53.554 54.000 0.114 0.000 0.905 742 D CB 0.717 41.552 40.800 0.058 0.000 1.081 742 D HN 0.558 nan 8.370 nan 0.000 0.502 743 M N 0.794 120.506 119.600 0.186 0.000 2.296 743 M HA 0.088 4.570 4.480 0.003 0.000 0.265 743 M C 0.936 177.423 176.300 0.311 0.000 1.064 743 M CA 1.060 56.537 55.300 0.296 0.000 1.109 743 M CB -0.802 31.878 32.600 0.133 0.000 1.396 743 M HN 0.266 nan 8.290 nan 0.000 0.430 744 A N 0.158 123.112 122.820 0.223 0.000 2.470 744 A HA 0.561 4.883 4.320 0.003 0.000 0.251 744 A C 1.380 179.040 177.584 0.127 0.000 1.245 744 A CA 0.298 52.419 52.037 0.140 0.000 0.932 744 A CB -0.576 18.491 19.000 0.113 0.000 1.037 744 A HN 0.781 nan 8.150 nan 0.000 0.522 745 G N -0.187 108.726 108.800 0.188 0.000 2.338 745 G HA2 -0.239 3.723 3.960 0.003 0.000 0.296 745 G HA3 -0.239 3.723 3.960 0.003 0.000 0.296 745 G C 0.492 175.484 174.900 0.154 0.000 1.040 745 G CA 0.642 45.819 45.100 0.129 0.000 1.004 745 G HN 0.504 nan 8.290 nan 0.000 0.509 746 L N -1.135 120.248 121.223 0.266 0.000 2.554 746 L HA 0.319 4.661 4.340 0.003 0.000 0.225 746 L C 1.526 178.707 176.870 0.519 0.000 1.104 746 L CA -0.293 54.826 54.840 0.465 0.000 0.866 746 L CB 0.226 42.542 42.059 0.427 0.000 1.047 746 L HN 0.347 nan 8.230 nan 0.000 0.468 747 L N 2.225 123.555 121.223 0.179 0.000 2.462 747 L HA 0.111 4.453 4.340 0.003 0.000 0.283 747 L C 0.367 177.204 176.870 -0.055 0.000 1.166 747 L CA 0.173 54.879 54.840 -0.223 0.000 0.964 747 L CB -0.583 41.088 42.059 -0.647 0.000 1.294 747 L HN -0.007 nan 8.230 nan 0.000 0.449 748 K N 5.923 126.333 120.400 0.016 0.000 2.355 748 K HA 0.100 4.422 4.320 0.003 0.000 0.270 748 K C -1.599 174.974 176.600 -0.045 0.000 1.003 748 K CA -1.246 55.023 56.287 -0.029 0.000 0.957 748 K CB 0.035 32.471 32.500 -0.107 0.000 0.939 748 K HN 0.305 nan 8.250 nan 0.000 0.482 749 P HA -0.261 nan 4.420 nan 0.000 0.216 749 P C 0.821 178.119 177.300 -0.003 0.000 1.167 749 P CA 1.497 64.576 63.100 -0.035 0.000 0.933 749 P CB 0.209 31.883 31.700 -0.044 0.000 0.793 750 K N -1.112 119.285 120.400 -0.004 0.000 2.551 750 K HA 0.144 4.466 4.320 0.003 0.000 0.192 750 K C 1.433 178.077 176.600 0.073 0.000 1.027 750 K CA 0.483 56.792 56.287 0.036 0.000 1.059 750 K CB -0.587 31.915 32.500 0.004 0.000 0.831 750 K HN 0.062 nan 8.250 nan 0.000 0.508 751 A N -0.488 122.355 122.820 0.038 0.000 1.993 751 A HA 0.229 4.551 4.320 0.003 0.000 0.207 751 A C 2.149 179.728 177.584 -0.009 0.000 1.224 751 A CA 0.811 52.868 52.037 0.033 0.000 0.749 751 A CB -0.169 18.853 19.000 0.037 0.000 0.884 751 A HN 0.194 nan 8.150 nan 0.000 0.467 752 A N -0.984 121.816 122.820 -0.033 0.000 1.933 752 A HA -0.142 4.180 4.320 0.003 0.000 0.218 752 A C 2.054 179.641 177.584 0.006 0.000 1.175 752 A CA 1.678 53.680 52.037 -0.058 0.000 0.628 752 A CB -0.845 18.123 19.000 -0.054 0.000 0.814 752 A HN 0.768 nan 8.150 nan 0.000 0.444 753 Y N 0.450 120.716 120.300 -0.057 0.000 2.421 753 Y HA -0.075 4.476 4.550 0.002 0.000 0.292 753 Y C 1.832 177.713 175.900 -0.031 0.000 1.136 753 Y CA 1.972 60.046 58.100 -0.042 0.000 1.255 753 Y CB -0.004 38.434 38.460 -0.037 0.000 0.991 753 Y HN 0.448 nan 8.280 nan 0.000 0.552 754 E N -0.870 119.294 120.200 -0.059 0.000 2.476 754 E HA -0.001 4.350 4.350 0.003 0.000 0.199 754 E C 1.648 178.198 176.600 -0.083 0.000 1.021 754 E CA -0.153 56.183 56.400 -0.106 0.000 0.907 754 E CB 0.261 29.976 29.700 0.025 0.000 0.974 754 E HN 0.325 nan 8.360 nan 0.000 0.489 755 L N 0.907 122.078 121.223 -0.087 0.000 2.130 755 L HA -0.017 4.324 4.340 0.003 0.000 0.200 755 L C 1.925 178.734 176.870 -0.101 0.000 1.075 755 L CA 1.038 55.824 54.840 -0.090 0.000 0.768 755 L CB -0.330 41.637 42.059 -0.153 0.000 0.933 755 L HN 0.156 nan 8.230 nan 0.000 0.451 756 I N 0.245 120.743 120.570 -0.120 0.000 2.264 756 I HA -0.181 3.991 4.170 0.003 0.000 0.248 756 I C 2.618 178.657 176.117 -0.129 0.000 1.111 756 I CA 1.411 62.644 61.300 -0.112 0.000 1.382 756 I CB -2.013 35.926 38.000 -0.101 0.000 1.060 756 I HN 0.230 nan 8.210 nan 0.000 0.418 757 G N 0.563 109.247 108.800 -0.194 0.000 2.404 757 G HA2 -0.177 3.785 3.960 0.003 0.000 0.215 757 G HA3 -0.177 3.785 3.960 0.003 0.000 0.215 757 G C 1.426 176.255 174.900 -0.119 0.000 1.174 757 G CA 0.156 45.138 45.100 -0.197 0.000 0.780 757 G HN 0.346 nan 8.290 nan 0.000 0.537 758 E N 0.222 120.366 120.200 -0.095 0.000 2.472 758 E HA 0.023 4.375 4.350 0.003 0.000 0.200 758 E C 2.347 178.931 176.600 -0.026 0.000 1.046 758 E CA 0.380 56.753 56.400 -0.044 0.000 0.871 758 E CB 0.097 29.789 29.700 -0.014 0.000 0.806 758 E HN 0.497 nan 8.360 nan 0.000 0.533 759 L N -0.135 121.065 121.223 -0.038 0.000 2.425 759 L HA 0.089 4.431 4.340 0.003 0.000 0.215 759 L C 1.389 178.240 176.870 -0.031 0.000 1.065 759 L CA 0.145 54.971 54.840 -0.024 0.000 0.842 759 L CB 0.002 42.048 42.059 -0.022 0.000 1.033 759 L HN -0.259 nan 8.230 nan 0.000 0.474 760 K N 1.430 121.801 120.400 -0.049 0.000 3.358 760 K HA 0.100 4.422 4.320 0.003 0.000 0.297 760 K C 0.612 177.187 176.600 -0.041 0.000 1.064 760 K CA 0.441 56.698 56.287 -0.049 0.000 1.144 760 K CB -0.223 32.238 32.500 -0.065 0.000 1.289 760 K HN 0.449 nan 8.250 nan 0.000 0.372 761 S N -3.249 112.433 115.700 -0.030 0.000 2.126 761 S HA 0.058 4.530 4.470 0.003 0.000 0.242 761 S C 1.603 176.195 174.600 -0.014 0.000 0.898 761 S CA 0.096 58.282 58.200 -0.023 0.000 1.395 761 S CB -0.178 63.007 63.200 -0.026 0.000 0.966 761 S HN 0.181 nan 8.310 nan 0.000 0.435 762 A N 2.214 125.027 122.820 -0.012 0.000 1.975 762 A HA 0.621 4.942 4.320 0.003 0.000 0.215 762 A C 1.136 178.717 177.584 -0.004 0.000 1.170 762 A CA 1.335 53.368 52.037 -0.006 0.000 0.656 762 A CB -0.446 18.553 19.000 -0.002 0.000 0.821 762 A HN 1.243 nan 8.150 nan 0.000 0.449 766 L N 4.498 125.734 121.223 0.022 0.000 2.410 766 L HA 0.276 4.618 4.340 0.003 0.000 0.273 766 L C -1.743 175.137 176.870 0.018 0.000 1.152 766 L CA -0.811 54.052 54.840 0.038 0.000 0.855 766 L CB -0.735 41.363 42.059 0.065 0.000 1.129 766 L HN -0.143 nan 8.230 nan 0.000 0.463 767 P HA 0.052 nan 4.420 nan 0.000 0.270 767 P C -0.339 176.942 177.300 -0.033 0.000 1.216 767 P CA 0.176 63.255 63.100 -0.035 0.000 0.788 767 P CB 0.800 32.467 31.700 -0.056 0.000 0.883 768 I N 0.739 121.267 120.570 -0.070 0.000 2.493 768 I HA 0.314 4.486 4.170 0.003 0.000 0.298 768 I C 0.414 176.488 176.117 -0.071 0.000 0.998 768 I CA -0.544 60.728 61.300 -0.046 0.000 1.137 768 I CB 1.351 39.322 38.000 -0.050 0.000 1.310 768 I HN 0.420 nan 8.210 nan 0.000 0.445 769 H N 5.367 124.370 119.070 -0.111 0.000 2.800 769 H HA 0.456 5.013 4.556 0.002 0.000 0.322 769 H C -1.447 173.837 175.328 -0.073 0.000 0.979 769 H CA -0.863 55.106 56.048 -0.133 0.000 1.277 769 H CB 1.470 31.161 29.762 -0.119 0.000 1.484 769 H HN 0.390 nan 8.280 nan 0.000 0.512 770 L N 4.989 126.287 121.223 0.125 0.000 2.322 770 L HA 0.336 4.677 4.340 0.003 0.000 0.279 770 L C -1.092 175.885 176.870 0.179 0.000 1.036 770 L CA -0.339 54.569 54.840 0.113 0.000 0.807 770 L CB 1.003 43.118 42.059 0.093 0.000 1.226 770 L HN 0.822 nan 8.230 nan 0.000 0.433 771 H N 2.483 121.587 119.070 0.056 0.000 3.177 771 H HA 0.462 5.019 4.556 0.000 0.000 0.314 771 H C -1.347 173.945 175.328 -0.060 0.000 1.059 771 H CA -0.275 55.772 56.048 -0.002 0.000 1.515 771 H CB 1.046 30.741 29.762 -0.112 0.000 1.672 771 H HN 0.721 nan 8.280 nan 0.000 0.514 772 T N 2.702 117.375 114.554 0.199 0.000 2.907 772 T HA 0.336 4.687 4.350 0.003 0.000 0.290 772 T C -1.068 173.530 174.700 -0.169 0.000 1.066 772 T CA -0.562 61.535 62.100 -0.006 0.000 1.012 772 T CB 1.136 69.951 68.868 -0.088 0.000 1.184 772 T HN 0.699 nan 8.240 nan 0.000 0.522 773 H N 0.740 119.842 119.070 0.053 0.000 2.499 773 H HA 0.350 4.906 4.556 -0.000 0.000 0.340 773 H C -0.208 175.104 175.328 -0.027 0.000 1.148 773 H CA -0.515 55.545 56.048 0.020 0.000 1.215 773 H CB 1.382 31.165 29.762 0.034 0.000 1.529 773 H HN 0.542 nan 8.280 nan 0.000 0.510 774 D N 0.424 120.884 120.400 0.100 0.000 2.325 774 D HA -0.067 4.575 4.640 0.003 0.000 0.234 774 D C 1.674 177.998 176.300 0.040 0.000 1.122 774 D CA 0.432 54.446 54.000 0.023 0.000 0.850 774 D CB 0.086 40.889 40.800 0.006 0.000 0.921 774 D HN 0.713 nan 8.370 nan 0.000 0.513 775 T N -2.817 111.778 114.554 0.068 0.000 2.822 775 T HA -0.230 4.122 4.350 0.003 0.000 0.270 775 T C 1.832 176.544 174.700 0.021 0.000 1.064 775 T CA 1.768 63.908 62.100 0.066 0.000 1.131 775 T CB -0.393 68.534 68.868 0.098 0.000 0.858 775 T HN 0.097 nan 8.240 nan 0.000 0.483 776 S N -0.170 115.524 115.700 -0.010 0.000 2.548 776 S HA 0.455 4.927 4.470 0.003 0.000 0.215 776 S C 1.814 176.433 174.600 0.031 0.000 0.976 776 S CA 0.396 58.588 58.200 -0.013 0.000 0.908 776 S CB -0.396 62.810 63.200 0.010 0.000 0.781 776 S HN 1.439 nan 8.310 nan 0.000 0.519 777 G N 1.545 110.359 108.800 0.022 0.000 2.147 777 G HA2 -0.271 3.690 3.960 0.003 0.000 0.244 777 G HA3 -0.271 3.690 3.960 0.003 0.000 0.244 777 G C 0.181 175.087 174.900 0.009 0.000 1.005 777 G CA 0.310 45.419 45.100 0.016 0.000 0.713 777 G HN 0.638 nan 8.290 nan 0.000 0.515 778 N N -0.836 117.866 118.700 0.004 0.000 2.159 778 N HA 0.280 5.022 4.740 0.003 0.000 0.217 778 N C 2.130 177.590 175.510 -0.083 0.000 1.223 778 N CA 0.304 53.346 53.050 -0.014 0.000 0.896 778 N CB 0.328 38.833 38.487 0.030 0.000 1.064 778 N HN 0.304 nan 8.380 nan 0.000 0.518 779 G N 1.173 109.902 108.800 -0.118 0.000 2.475 779 G HA2 -0.221 3.741 3.960 0.003 0.000 0.220 779 G HA3 -0.221 3.741 3.960 0.003 0.000 0.220 779 G C 1.334 176.013 174.900 -0.368 0.000 1.125 779 G CA 0.743 45.678 45.100 -0.275 0.000 0.755 779 G HN 0.115 nan 8.290 nan 0.000 0.565 780 L N -0.321 120.801 121.223 -0.169 0.000 1.961 780 L HA 0.055 4.397 4.340 0.003 0.000 0.209 780 L C 2.805 179.622 176.870 -0.090 0.000 1.075 780 L CA 0.813 55.600 54.840 -0.089 0.000 0.749 780 L CB -0.579 41.467 42.059 -0.022 0.000 0.890 780 L HN 0.115 nan 8.230 nan 0.000 0.433 781 L N -0.676 120.501 121.223 -0.077 0.000 2.197 781 L HA -0.311 4.030 4.340 0.003 0.000 0.215 781 L C 2.504 179.326 176.870 -0.080 0.000 1.095 781 L CA 1.458 56.256 54.840 -0.071 0.000 0.764 781 L CB -0.499 41.528 42.059 -0.053 0.000 0.897 781 L HN 0.419 nan 8.230 nan 0.000 0.436 782 T N -1.597 112.882 114.554 -0.125 0.000 2.737 782 T HA -0.202 4.150 4.350 0.003 0.000 0.265 782 T C 1.620 176.304 174.700 -0.027 0.000 1.038 782 T CA 1.334 63.359 62.100 -0.125 0.000 1.144 782 T CB -0.326 68.407 68.868 -0.225 0.000 0.866 782 T HN 0.370 nan 8.240 nan 0.000 0.434 783 Y N 1.038 121.298 120.300 -0.067 0.000 2.224 783 Y HA -0.094 4.464 4.550 0.013 0.000 0.289 783 Y C 2.800 178.637 175.900 -0.105 0.000 1.146 783 Y CA 0.358 58.410 58.100 -0.081 0.000 1.182 783 Y CB -0.020 38.394 38.460 -0.076 0.000 0.983 783 Y HN -0.014 nan 8.280 nan 0.000 0.524 784 K N 0.626 121.036 120.400 0.017 0.000 2.063 784 K HA -0.207 4.115 4.320 0.003 0.000 0.208 784 K C 1.801 178.338 176.600 -0.106 0.000 1.048 784 K CA 1.480 57.690 56.287 -0.128 0.000 0.928 784 K CB -0.157 32.209 32.500 -0.222 0.000 0.713 784 K HN 0.388 nan 8.250 nan 0.000 0.442 785 Q N -0.378 119.398 119.800 -0.041 0.000 2.083 785 Q HA -0.032 4.310 4.340 0.003 0.000 0.198 785 Q C 2.125 178.187 176.000 0.104 0.000 0.969 785 Q CA 1.212 57.034 55.803 0.031 0.000 0.838 785 Q CB -0.315 28.447 28.738 0.039 0.000 0.900 785 Q HN 0.325 nan 8.270 nan 0.000 0.436 786 A N 1.300 124.159 122.820 0.066 0.000 1.892 786 A HA -0.190 4.131 4.320 0.003 0.000 0.218 786 A C 2.177 179.764 177.584 0.004 0.000 1.188 786 A CA 1.379 53.441 52.037 0.040 0.000 0.631 786 A CB -0.804 18.240 19.000 0.074 0.000 0.822 786 A HN 0.312 nan 8.150 nan 0.000 0.447 787 I N -0.134 120.428 120.570 -0.014 0.000 2.286 787 I HA -0.226 3.946 4.170 0.003 0.000 0.248 787 I C 1.337 177.439 176.117 -0.025 0.000 1.115 787 I CA 1.453 62.722 61.300 -0.052 0.000 1.392 787 I CB -0.384 37.562 38.000 -0.090 0.000 1.065 787 I HN 0.233 nan 8.210 nan 0.000 0.418 788 D N 0.786 121.192 120.400 0.009 0.000 2.348 788 D HA -0.009 4.633 4.640 0.003 0.000 0.216 788 D C 1.550 177.945 176.300 0.157 0.000 0.970 788 D CA 0.767 54.810 54.000 0.072 0.000 0.889 788 D CB 0.112 40.945 40.800 0.055 0.000 0.912 788 D HN 0.327 nan 8.370 nan 0.000 0.524 789 A N -0.690 122.189 122.820 0.099 0.000 2.503 789 A HA 0.558 4.879 4.320 0.003 0.000 0.263 789 A C 1.516 179.061 177.584 -0.065 0.000 1.258 789 A CA 0.410 52.427 52.037 -0.034 0.000 0.936 789 A CB 0.097 18.987 19.000 -0.183 0.000 1.070 789 A HN 0.130 nan 8.150 nan 0.000 0.522 790 G N -1.069 107.706 108.800 -0.040 0.000 2.141 790 G HA2 -0.155 3.807 3.960 0.003 0.000 0.231 790 G HA3 -0.155 3.807 3.960 0.003 0.000 0.231 790 G C 0.407 175.257 174.900 -0.084 0.000 0.984 790 G CA 0.095 45.159 45.100 -0.060 0.000 0.660 790 G HN 1.131 nan 8.290 nan 0.000 0.525 791 V N 0.382 120.243 119.914 -0.088 0.000 2.928 791 V HA 0.247 4.368 4.120 0.003 0.000 0.307 791 V C 1.525 177.527 176.094 -0.153 0.000 1.105 791 V CA 1.714 63.945 62.300 -0.115 0.000 1.223 791 V CB 0.701 32.458 31.823 -0.111 0.000 0.930 791 V HN 0.439 nan 8.190 nan 0.000 0.499 792 D N 4.043 124.330 120.400 -0.189 0.000 2.278 792 D HA 0.209 4.851 4.640 0.003 0.000 0.228 792 D C 0.200 176.317 176.300 -0.305 0.000 1.020 792 D CA 1.077 54.934 54.000 -0.239 0.000 0.922 792 D CB 0.057 40.700 40.800 -0.261 0.000 1.051 792 D HN 0.575 nan 8.370 nan 0.000 0.452 793 I N 0.759 121.069 120.570 -0.434 0.000 2.648 793 I HA 0.423 4.595 4.170 0.003 0.000 0.304 793 I C -0.421 175.400 176.117 -0.494 0.000 1.009 793 I CA -1.175 59.780 61.300 -0.576 0.000 1.114 793 I CB 2.084 39.422 38.000 -1.104 0.000 1.293 793 I HN -0.005 nan 8.210 nan 0.000 0.449 794 I N -1.036 119.275 120.570 -0.433 0.000 2.865 794 I HA 0.606 4.777 4.170 0.003 0.000 0.302 794 I C -1.525 174.423 176.117 -0.281 0.000 1.140 794 I CA -0.819 60.212 61.300 -0.448 0.000 1.021 794 I CB 2.215 39.676 38.000 -0.897 0.000 1.233 794 I HN 0.274 nan 8.210 nan 0.000 0.427 795 D N 3.615 123.886 120.400 -0.215 0.000 2.280 795 D HA 0.548 5.190 4.640 0.003 0.000 0.243 795 D C -0.066 176.119 176.300 -0.191 0.000 1.129 795 D CA 0.284 54.164 54.000 -0.201 0.000 0.848 795 D CB 1.778 42.328 40.800 -0.417 0.000 1.107 795 D HN 0.844 nan 8.370 nan 0.000 0.471 796 T N -1.100 113.349 114.554 -0.175 0.000 2.742 796 T HA 0.925 5.277 4.350 0.003 0.000 0.282 796 T C -0.680 173.925 174.700 -0.160 0.000 1.025 796 T CA -0.995 61.043 62.100 -0.103 0.000 1.020 796 T CB 1.723 70.561 68.868 -0.050 0.000 1.317 796 T HN 0.295 nan 8.240 nan 0.000 0.538 797 A N 0.161 122.916 122.820 -0.108 0.000 2.594 797 A HA 0.748 5.070 4.320 0.003 0.000 0.291 797 A C -0.272 177.280 177.584 -0.053 0.000 1.105 797 A CA -0.855 51.094 52.037 -0.147 0.000 0.694 797 A CB 1.140 20.030 19.000 -0.183 0.000 1.291 797 A HN 0.967 nan 8.150 nan 0.000 0.410 798 V N 1.050 120.936 119.914 -0.046 0.000 3.230 798 V HA 0.152 4.274 4.120 0.003 0.000 0.302 798 V C 2.044 178.151 176.094 0.021 0.000 1.158 798 V CA 1.031 63.358 62.300 0.045 0.000 1.279 798 V CB 0.454 32.318 31.823 0.068 0.000 0.983 798 V HN 1.415 nan 8.190 nan 0.000 0.506 799 A N 2.935 125.787 122.820 0.053 0.000 1.883 799 A HA -0.167 4.155 4.320 0.003 0.000 0.217 799 A C 2.310 179.900 177.584 0.010 0.000 1.186 799 A CA 2.324 54.381 52.037 0.033 0.000 0.624 799 A CB -0.902 18.119 19.000 0.035 0.000 0.822 799 A HN 1.200 nan 8.150 nan 0.000 0.444 800 S N -1.451 114.260 115.700 0.018 0.000 2.474 800 S HA 0.036 4.508 4.470 0.003 0.000 0.235 800 S C 1.188 175.787 174.600 -0.002 0.000 0.997 800 S CA 1.228 59.437 58.200 0.016 0.000 0.949 800 S CB -0.143 63.089 63.200 0.053 0.000 0.766 800 S HN 0.393 nan 8.310 nan 0.000 0.517 801 M N 2.107 121.680 119.600 -0.046 0.000 2.589 801 M HA 0.331 4.813 4.480 0.003 0.000 0.344 801 M C 0.514 176.760 176.300 -0.091 0.000 1.168 801 M CA -0.066 55.169 55.300 -0.109 0.000 0.956 801 M CB -0.092 32.350 32.600 -0.263 0.000 1.370 801 M HN 0.499 nan 8.290 nan 0.000 0.518 802 S N -0.479 115.194 115.700 -0.045 0.000 2.618 802 S HA 0.906 5.378 4.470 0.003 0.000 0.284 802 S C 0.714 175.308 174.600 -0.009 0.000 1.102 802 S CA 0.138 58.322 58.200 -0.026 0.000 0.984 802 S CB 1.082 64.279 63.200 -0.004 0.000 1.280 802 S HN 0.566 nan 8.310 nan 0.000 0.525 803 G N -0.437 108.364 108.800 0.003 0.000 2.877 803 G HA2 -0.048 3.914 3.960 0.003 0.000 0.279 803 G HA3 -0.048 3.914 3.960 0.003 0.000 0.279 803 G C 0.127 175.036 174.900 0.015 0.000 1.431 803 G CA -0.285 44.820 45.100 0.009 0.000 0.883 803 G HN 1.854 nan 8.290 nan 0.000 0.547 804 L N -2.793 118.443 121.223 0.021 0.000 6.328 804 L HA -0.353 3.988 4.340 0.003 0.000 0.053 804 L C 2.512 179.403 176.870 0.036 0.000 2.032 804 L CA 2.808 57.666 54.840 0.030 0.000 1.701 804 L CB -1.867 40.204 42.059 0.020 0.000 2.706 804 L HN 1.852 nan 8.230 nan 0.000 1.012 805 T N -0.789 113.773 114.554 0.014 0.000 2.977 805 T HA -0.067 4.284 4.350 0.003 0.000 0.271 805 T C 1.090 175.810 174.700 0.033 0.000 1.105 805 T CA 1.449 63.538 62.100 -0.019 0.000 1.116 805 T CB -0.133 68.676 68.868 -0.097 0.000 0.878 805 T HN 0.536 nan 8.240 nan 0.000 0.509 806 S N -0.283 115.449 115.700 0.053 0.000 2.625 806 S HA 0.351 4.823 4.470 0.003 0.000 0.262 806 S C 0.128 174.804 174.600 0.127 0.000 1.223 806 S CA -0.662 57.586 58.200 0.080 0.000 0.993 806 S CB 0.465 63.664 63.200 -0.002 0.000 1.051 806 S HN 0.542 nan 8.310 nan 0.000 0.562 807 Q N 1.232 121.050 119.800 0.031 0.000 2.454 807 Q HA 0.376 4.717 4.340 0.003 0.000 0.247 807 Q C -2.349 173.647 176.000 -0.008 0.000 1.028 807 Q CA -0.983 54.797 55.803 -0.037 0.000 0.910 807 Q CB 0.140 28.802 28.738 -0.126 0.000 1.276 807 Q HN 0.388 nan 8.270 nan 0.000 0.489 808 P HA 0.012 nan 4.420 nan 0.000 0.271 808 P C -1.025 176.317 177.300 0.070 0.000 1.218 808 P CA -0.143 62.979 63.100 0.037 0.000 0.780 808 P CB 0.788 32.505 31.700 0.027 0.000 0.901 809 S N 2.110 117.845 115.700 0.057 0.000 2.457 809 S HA 0.213 4.685 4.470 0.003 0.000 0.294 809 S C 1.573 176.231 174.600 0.096 0.000 1.201 809 S CA 0.012 58.249 58.200 0.062 0.000 1.112 809 S CB -0.801 62.433 63.200 0.057 0.000 1.018 809 S HN 0.446 nan 8.310 nan 0.000 0.511 810 A N 6.015 128.888 122.820 0.088 0.000 1.892 810 A HA -0.186 4.135 4.320 0.003 0.000 0.218 810 A C 2.145 179.826 177.584 0.162 0.000 1.188 810 A CA 1.871 53.978 52.037 0.117 0.000 0.631 810 A CB -0.770 18.303 19.000 0.122 0.000 0.822 810 A HN 0.909 nan 8.150 nan 0.000 0.447 811 N N 0.035 118.826 118.700 0.151 0.000 2.018 811 N HA -0.153 4.588 4.740 0.003 0.000 0.196 811 N C 2.040 177.703 175.510 0.256 0.000 1.043 811 N CA 1.891 55.049 53.050 0.180 0.000 0.856 811 N CB -0.368 38.205 38.487 0.143 0.000 1.042 811 N HN 0.457 nan 8.380 nan 0.000 0.423 812 S N 1.516 117.332 115.700 0.193 0.000 2.383 812 S HA -0.045 4.426 4.470 0.003 0.000 0.229 812 S C 1.997 176.717 174.600 0.200 0.000 1.030 812 S CA 0.514 58.828 58.200 0.190 0.000 1.002 812 S CB -0.283 62.984 63.200 0.112 0.000 0.829 812 S HN 0.286 nan 8.310 nan 0.000 0.467 813 L N -0.063 121.258 121.223 0.163 0.000 2.275 813 L HA -0.120 4.221 4.340 0.003 0.000 0.215 813 L C 2.091 179.018 176.870 0.094 0.000 1.119 813 L CA 1.266 56.175 54.840 0.116 0.000 0.790 813 L CB -0.282 41.842 42.059 0.108 0.000 0.919 813 L HN 0.403 nan 8.230 nan 0.000 0.443 814 Y N -0.379 119.932 120.300 0.018 0.000 2.070 814 Y HA -0.338 4.213 4.550 0.001 0.000 0.279 814 Y C 2.258 178.087 175.900 -0.118 0.000 1.134 814 Y CA 2.086 60.129 58.100 -0.094 0.000 1.113 814 Y CB -0.495 37.890 38.460 -0.125 0.000 0.981 814 Y HN 0.073 nan 8.280 nan 0.000 0.487 815 Y N -0.313 120.159 120.300 0.287 0.000 2.497 815 Y HA -0.139 4.412 4.550 0.002 0.000 0.292 815 Y C 2.381 178.340 175.900 0.100 0.000 1.137 815 Y CA 0.712 58.926 58.100 0.191 0.000 1.285 815 Y CB -0.527 38.034 38.460 0.168 0.000 0.991 815 Y HN 0.282 nan 8.280 nan 0.000 0.556 816 A N -0.140 122.805 122.820 0.208 0.000 1.897 816 A HA -0.074 4.247 4.320 0.003 0.000 0.215 816 A C 1.947 179.640 177.584 0.183 0.000 1.181 816 A CA 0.964 53.099 52.037 0.164 0.000 0.620 816 A CB -0.820 18.237 19.000 0.096 0.000 0.821 816 A HN 0.451 nan 8.150 nan 0.000 0.443 817 L N 0.404 121.651 121.223 0.039 0.000 2.622 817 L HA -0.047 4.295 4.340 0.003 0.000 0.233 817 L C 0.151 177.086 176.870 0.107 0.000 1.156 817 L CA -0.059 54.805 54.840 0.039 0.000 0.866 817 L CB -0.935 40.992 42.059 -0.220 0.000 0.980 817 L HN 0.396 nan 8.230 nan 0.000 0.448 818 N N 0.724 119.466 118.700 0.069 0.000 2.440 818 N HA 0.096 4.838 4.740 0.003 0.000 0.265 818 N C 1.172 176.693 175.510 0.018 0.000 1.239 818 N CA 0.565 53.638 53.050 0.038 0.000 0.909 818 N CB 0.495 39.032 38.487 0.082 0.000 1.066 818 N HN 0.299 nan 8.380 nan 0.000 0.474 819 G N 2.231 111.028 108.800 -0.004 0.000 2.199 819 G HA2 -0.301 3.660 3.960 0.003 0.000 0.254 819 G HA3 -0.301 3.660 3.960 0.003 0.000 0.254 819 G C -0.038 174.752 174.900 -0.183 0.000 0.982 819 G CA -0.329 44.706 45.100 -0.108 0.000 0.632 819 G HN 0.500 nan 8.290 nan 0.000 0.529 820 F N 0.682 120.628 119.950 -0.007 0.000 2.375 820 F HA 0.490 5.019 4.527 0.004 0.000 0.333 820 F C -0.505 175.295 175.800 0.001 0.000 1.104 820 F CA -1.769 56.224 58.000 -0.012 0.000 1.149 820 F CB 1.493 40.473 39.000 -0.033 0.000 1.190 820 F HN -0.174 nan 8.300 nan 0.000 0.533 821 P HA -0.073 nan 4.420 nan 0.000 0.228 821 P C -0.463 176.895 177.300 0.097 0.000 1.151 821 P CA 1.117 64.287 63.100 0.117 0.000 0.770 821 P CB 0.217 31.976 31.700 0.097 0.000 0.786 822 R N -0.524 120.041 120.500 0.108 0.000 2.480 822 R HA 0.437 4.778 4.340 0.003 0.000 0.306 822 R C -0.790 175.537 176.300 0.044 0.000 0.958 822 R CA -0.653 55.478 56.100 0.052 0.000 0.861 822 R CB 1.479 31.780 30.300 0.001 0.000 1.171 822 R HN 0.142 nan 8.270 nan 0.000 0.445 823 H N 0.970 119.999 119.070 -0.067 0.000 2.573 823 H HA 0.364 4.922 4.556 0.005 0.000 0.351 823 H C -1.042 174.196 175.328 -0.150 0.000 1.163 823 H CA -0.796 55.180 56.048 -0.120 0.000 1.205 823 H CB 1.443 31.136 29.762 -0.116 0.000 1.605 823 H HN 0.256 nan 8.280 nan 0.000 0.525 824 L N 3.517 124.501 121.223 -0.399 0.000 2.290 824 L HA 0.334 4.675 4.340 0.003 0.000 0.284 824 L C -0.262 176.614 176.870 0.009 0.000 1.078 824 L CA -0.043 54.669 54.840 -0.212 0.000 0.815 824 L CB 0.513 42.392 42.059 -0.301 0.000 1.162 824 L HN 0.609 nan 8.230 nan 0.000 0.435 825 R N 4.161 124.709 120.500 0.080 0.000 2.215 825 R HA 0.577 4.918 4.340 0.003 0.000 0.337 825 R C -0.739 175.665 176.300 0.172 0.000 1.010 825 R CA 0.209 56.391 56.100 0.137 0.000 0.871 825 R CB 0.523 30.881 30.300 0.095 0.000 1.134 825 R HN 0.882 nan 8.270 nan 0.000 0.477 826 T N 1.240 115.922 114.554 0.213 0.000 2.622 826 T HA -0.005 4.346 4.350 0.003 0.000 0.283 826 T C -2.214 172.555 174.700 0.115 0.000 1.950 826 T CA -0.747 61.457 62.100 0.174 0.000 0.947 826 T CB 0.896 69.905 68.868 0.234 0.000 2.084 826 T HN 0.541 nan 8.240 nan 0.000 0.463 827 D N 1.311 121.688 120.400 -0.038 0.000 2.392 827 D HA 0.430 5.071 4.640 0.003 0.000 0.228 827 D C 1.683 177.850 176.300 -0.222 0.000 1.074 827 D CA -0.650 53.274 54.000 -0.127 0.000 0.838 827 D CB 0.685 41.386 40.800 -0.165 0.000 1.067 827 D HN 0.560 nan 8.370 nan 0.000 0.511 828 I N 2.032 122.381 120.570 -0.368 0.000 2.133 828 I HA -0.123 4.049 4.170 0.003 0.000 0.238 828 I C 2.178 178.180 176.117 -0.191 0.000 1.074 828 I CA 0.546 61.584 61.300 -0.437 0.000 1.342 828 I CB -0.440 37.104 38.000 -0.760 0.000 1.053 828 I HN 0.337 nan 8.210 nan 0.000 0.404 829 E N 1.791 121.906 120.200 -0.142 0.000 2.113 829 E HA -0.250 4.102 4.350 0.003 0.000 0.210 829 E C 2.206 178.772 176.600 -0.057 0.000 1.040 829 E CA 2.478 58.839 56.400 -0.064 0.000 0.847 829 E CB -0.634 29.036 29.700 -0.051 0.000 0.755 829 E HN 0.568 nan 8.360 nan 0.000 0.459 830 G N -0.458 108.282 108.800 -0.100 0.000 2.403 830 G HA2 -0.212 3.750 3.960 0.003 0.000 0.216 830 G HA3 -0.212 3.750 3.960 0.003 0.000 0.216 830 G C 1.572 176.407 174.900 -0.108 0.000 1.154 830 G CA 0.780 45.812 45.100 -0.113 0.000 0.784 830 G HN 0.232 nan 8.290 nan 0.000 0.538 831 M N 0.376 119.899 119.600 -0.128 0.000 2.296 831 M HA -0.003 4.479 4.480 0.003 0.000 0.265 831 M C 2.330 178.661 176.300 0.051 0.000 1.064 831 M CA 0.881 56.154 55.300 -0.046 0.000 1.109 831 M CB -0.041 32.539 32.600 -0.032 0.000 1.396 831 M HN 0.167 nan 8.290 nan 0.000 0.430 832 E N -0.487 119.743 120.200 0.050 0.000 2.107 832 E HA -0.081 4.271 4.350 0.003 0.000 0.191 832 E C 2.074 178.790 176.600 0.194 0.000 0.982 832 E CA 0.961 57.439 56.400 0.130 0.000 0.809 832 E CB -0.219 29.552 29.700 0.119 0.000 0.756 832 E HN 0.360 nan 8.360 nan 0.000 0.459 833 S N 1.049 116.821 115.700 0.120 0.000 2.368 833 S HA -0.036 4.436 4.470 0.003 0.000 0.224 833 S C 1.867 176.573 174.600 0.176 0.000 1.029 833 S CA 0.377 58.656 58.200 0.131 0.000 0.988 833 S CB -0.048 63.184 63.200 0.053 0.000 0.838 833 S HN 0.158 nan 8.310 nan 0.000 0.462 834 L N 1.259 122.571 121.223 0.148 0.000 2.131 834 L HA -0.039 4.303 4.340 0.003 0.000 0.210 834 L C 2.509 179.595 176.870 0.359 0.000 1.092 834 L CA 1.342 56.334 54.840 0.254 0.000 0.759 834 L CB -1.281 40.913 42.059 0.225 0.000 0.903 834 L HN 0.345 nan 8.230 nan 0.000 0.435 835 S N -1.716 114.126 115.700 0.235 0.000 2.406 835 S HA -0.137 4.335 4.470 0.003 0.000 0.228 835 S C 1.889 176.535 174.600 0.077 0.000 1.020 835 S CA 0.580 58.874 58.200 0.156 0.000 0.965 835 S CB -0.090 63.150 63.200 0.066 0.000 0.798 835 S HN 0.478 nan 8.310 nan 0.000 0.488 836 H N -1.212 117.941 119.070 0.137 0.000 2.482 836 H HA 0.027 4.585 4.556 0.005 0.000 0.286 836 H C 1.807 177.181 175.328 0.077 0.000 1.017 836 H CA 1.267 57.371 56.048 0.092 0.000 1.322 836 H CB -0.238 29.564 29.762 0.066 0.000 1.426 836 H HN 0.593 nan 8.280 nan 0.000 0.546 837 Y N 0.222 120.565 120.300 0.072 0.000 2.089 837 Y HA -0.251 4.300 4.550 0.003 0.000 0.282 837 Y C 1.901 177.696 175.900 -0.174 0.000 1.139 837 Y CA 1.642 59.683 58.100 -0.098 0.000 1.123 837 Y CB -0.661 37.676 38.460 -0.204 0.000 0.980 837 Y HN 0.030 nan 8.280 nan 0.000 0.493 838 W N 0.023 121.345 121.300 0.036 0.000 2.519 838 W HA -0.085 4.578 4.660 0.005 0.000 0.266 838 W C 2.989 179.426 176.519 -0.136 0.000 1.253 838 W CA 1.151 58.447 57.345 -0.082 0.000 1.274 838 W CB -0.566 28.926 29.460 0.052 0.000 1.114 838 W HN 0.180 nan 8.180 nan 0.000 0.596 839 S N 0.053 115.798 115.700 0.075 0.000 2.359 839 S HA -0.231 4.241 4.470 0.003 0.000 0.223 839 S C 1.770 176.327 174.600 -0.072 0.000 1.039 839 S CA 2.448 60.638 58.200 -0.018 0.000 1.042 839 S CB -0.712 62.429 63.200 -0.099 0.000 0.915 839 S HN 0.198 nan 8.310 nan 0.000 0.439 840 T N 1.255 115.715 114.554 -0.156 0.000 2.937 840 T HA 0.115 4.467 4.350 0.003 0.000 0.260 840 T C 1.859 176.226 174.700 -0.554 0.000 1.051 840 T CA 1.077 63.024 62.100 -0.255 0.000 1.141 840 T CB -0.335 68.414 68.868 -0.199 0.000 0.879 840 T HN 0.277 nan 8.240 nan 0.000 0.459 841 V N 1.631 121.149 119.914 -0.660 0.000 2.626 841 V HA -0.095 4.027 4.120 0.003 0.000 0.252 841 V C 2.537 178.419 176.094 -0.354 0.000 1.067 841 V CA 1.363 63.136 62.300 -0.878 0.000 1.081 841 V CB -0.639 30.702 31.823 -0.804 0.000 0.686 841 V HN 0.342 nan 8.190 nan 0.000 0.468 842 R N -0.071 120.406 120.500 -0.038 0.000 2.148 842 R HA -0.130 4.212 4.340 0.003 0.000 0.227 842 R C 2.210 178.596 176.300 0.144 0.000 1.103 842 R CA 1.646 57.851 56.100 0.175 0.000 0.983 842 R CB -0.246 30.138 30.300 0.139 0.000 0.874 842 R HN 0.509 nan 8.270 nan 0.000 0.451 843 T N 0.024 114.541 114.554 -0.061 0.000 2.915 843 T HA -0.125 4.227 4.350 0.003 0.000 0.269 843 T C 1.155 175.916 174.700 0.101 0.000 1.071 843 T CA 1.100 63.221 62.100 0.034 0.000 1.132 843 T CB -0.259 68.632 68.868 0.039 0.000 0.878 843 T HN 0.430 nan 8.240 nan 0.000 0.479 844 Y N -0.568 119.636 120.300 -0.160 0.000 2.403 844 Y HA -0.108 4.444 4.550 0.004 0.000 0.291 844 Y C 1.051 176.885 175.900 -0.110 0.000 1.143 844 Y CA 0.325 58.222 58.100 -0.338 0.000 1.257 844 Y CB -0.319 37.828 38.460 -0.521 0.000 0.984 844 Y HN 0.298 nan 8.280 nan 0.000 0.550 845 Y N -0.811 119.687 120.300 0.330 0.000 2.751 845 Y HA 0.102 4.654 4.550 0.003 0.000 0.289 845 Y C 1.838 177.865 175.900 0.213 0.000 1.110 845 Y CA -0.341 57.962 58.100 0.339 0.000 1.251 845 Y CB 0.039 38.726 38.460 0.378 0.000 1.178 845 Y HN 0.057 nan 8.280 nan 0.000 0.540 846 S N -1.548 114.292 115.700 0.234 0.000 2.423 846 S HA -0.160 4.312 4.470 0.003 0.000 0.231 846 S C 1.268 175.880 174.600 0.020 0.000 1.014 846 S CA 1.194 59.479 58.200 0.141 0.000 0.965 846 S CB -0.055 63.227 63.200 0.137 0.000 0.785 846 S HN 0.387 nan 8.310 nan 0.000 0.495 847 D N 0.482 120.792 120.400 -0.151 0.000 2.371 847 D HA 0.076 4.718 4.640 0.003 0.000 0.221 847 D C 0.630 176.679 176.300 -0.419 0.000 0.986 847 D CA 0.700 54.492 54.000 -0.347 0.000 0.899 847 D CB -0.162 40.296 40.800 -0.570 0.000 0.902 847 D HN 0.554 nan 8.370 nan 0.000 0.530 848 F N 0.646 120.612 119.950 0.026 0.000 2.720 848 F HA 0.087 4.615 4.527 0.001 0.000 0.301 848 F C 1.449 177.257 175.800 0.013 0.000 1.103 848 F CA -0.430 57.580 58.000 0.018 0.000 1.291 848 F CB 0.585 39.618 39.000 0.055 0.000 1.086 848 F HN -0.316 nan 8.300 nan 0.000 0.592 853 D N 0.544 120.914 120.400 -0.049 0.000 2.305 853 D HA 0.141 4.783 4.640 0.003 0.000 0.206 853 D C 0.650 176.936 176.300 -0.023 0.000 0.974 853 D CA -0.050 53.929 54.000 -0.035 0.000 0.871 853 D CB -0.704 40.072 40.800 -0.040 0.000 0.947 853 D HN 0.672 nan 8.370 nan 0.000 0.516 854 I N 0.999 121.546 120.570 -0.038 0.000 3.197 854 I HA -0.140 4.032 4.170 0.003 0.000 0.293 854 I C 1.341 177.469 176.117 0.019 0.000 1.227 854 I CA 0.519 61.826 61.300 0.010 0.000 1.369 854 I CB 0.131 38.113 38.000 -0.030 0.000 1.441 854 I HN -0.042 nan 8.210 nan 0.000 0.539 855 K N 3.253 123.671 120.400 0.031 0.000 2.373 855 K HA 0.239 4.561 4.320 0.003 0.000 0.202 855 K C -0.134 176.485 176.600 0.030 0.000 1.025 855 K CA 0.082 56.383 56.287 0.023 0.000 1.115 855 K CB 0.480 32.990 32.500 0.016 0.000 0.858 855 K HN 0.634 nan 8.250 nan 0.000 0.525 856 S N 0.492 116.220 115.700 0.047 0.000 2.638 856 S HA 0.469 4.940 4.470 0.003 0.000 0.274 856 S C -2.856 171.780 174.600 0.059 0.000 1.157 856 S CA -1.204 57.023 58.200 0.044 0.000 0.826 856 S CB 1.791 65.013 63.200 0.037 0.000 1.139 856 S HN -0.068 nan 8.310 nan 0.000 0.474 857 P HA 0.347 nan 4.420 nan 0.000 0.281 857 P C -1.120 176.192 177.300 0.020 0.000 1.252 857 P CA -0.426 62.697 63.100 0.039 0.000 0.778 857 P CB 0.321 32.036 31.700 0.025 0.000 0.895 858 N N 1.510 120.209 118.700 -0.001 0.000 2.392 858 N HA 0.183 4.924 4.740 0.003 0.000 0.283 858 N C 0.517 175.919 175.510 -0.179 0.000 1.003 858 N CA -0.207 52.775 53.050 -0.114 0.000 0.892 858 N CB 1.346 39.663 38.487 -0.284 0.000 1.193 858 N HN 0.319 nan 8.380 nan 0.000 0.487 859 T N -0.771 113.695 114.554 -0.147 0.000 3.014 859 T HA 0.000 4.352 4.350 0.003 0.000 0.250 859 T C 0.936 175.527 174.700 -0.182 0.000 1.060 859 T CA 0.144 62.172 62.100 -0.121 0.000 1.040 859 T CB -0.137 68.769 68.868 0.064 0.000 0.971 859 T HN 0.661 nan 8.240 nan 0.000 0.497 860 E N 0.989 121.059 120.200 -0.218 0.000 2.382 860 E HA 0.122 4.473 4.350 0.003 0.000 0.190 860 E C 1.528 177.795 176.600 -0.555 0.000 1.125 860 E CA -0.162 56.077 56.400 -0.268 0.000 0.929 860 E CB -0.523 29.058 29.700 -0.198 0.000 1.053 860 E HN 0.471 nan 8.360 nan 0.000 0.475 861 I N 0.267 120.491 120.570 -0.577 0.000 2.361 861 I HA -0.274 3.898 4.170 0.003 0.000 0.251 861 I C 1.286 177.123 176.117 -0.466 0.000 1.133 861 I CA 1.156 62.116 61.300 -0.568 0.000 1.413 861 I CB -0.087 37.620 38.000 -0.489 0.000 1.073 861 I HN 0.153 nan 8.210 nan 0.000 0.424 862 Y N 0.250 120.448 120.300 -0.169 0.000 2.680 862 Y HA -0.154 4.380 4.550 -0.026 0.000 0.303 862 Y C 2.121 177.962 175.900 -0.098 0.000 1.166 862 Y CA 0.096 58.144 58.100 -0.087 0.000 1.344 862 Y CB -0.218 38.212 38.460 -0.049 0.000 1.002 862 Y HN 0.351 nan 8.280 nan 0.000 0.537 863 Q N -0.849 118.882 119.800 -0.115 0.000 2.525 863 Q HA -0.019 4.323 4.340 0.003 0.000 0.203 863 Q C 1.842 177.831 176.000 -0.019 0.000 0.947 863 Q CA 1.052 56.806 55.803 -0.082 0.000 0.881 863 Q CB -0.589 28.069 28.738 -0.135 0.000 1.049 863 Q HN 0.730 nan 8.270 nan 0.000 0.600 864 H N 0.642 119.737 119.070 0.042 0.000 2.544 864 H HA 0.271 4.830 4.556 0.006 0.000 0.269 864 H C -0.415 175.000 175.328 0.145 0.000 0.970 864 H CA 0.381 56.486 56.048 0.095 0.000 1.219 864 H CB 0.230 29.988 29.762 -0.006 0.000 1.421 864 H HN 0.223 nan 8.280 nan 0.000 0.555 865 E N 0.919 121.255 120.200 0.225 0.000 2.320 865 E HA -0.160 4.191 4.350 0.003 0.000 0.234 865 E C -0.737 176.014 176.600 0.253 0.000 1.183 865 E CA 0.224 56.741 56.400 0.195 0.000 0.713 865 E CB -1.142 28.641 29.700 0.138 0.000 1.226 865 E HN 0.591 nan 8.360 nan 0.000 0.382 866 M N 1.313 121.068 119.600 0.258 0.000 2.108 866 M HA 0.293 4.775 4.480 0.003 0.000 0.354 866 M C -1.768 174.593 176.300 0.101 0.000 1.229 866 M CA -1.574 53.775 55.300 0.081 0.000 1.081 866 M CB 0.650 33.148 32.600 -0.169 0.000 1.606 866 M HN -0.055 nan 8.290 nan 0.000 0.467 867 P HA 0.221 nan 4.420 nan 0.000 0.293 867 P C 0.734 177.986 177.300 -0.081 0.000 1.304 867 P CA 0.118 63.233 63.100 0.025 0.000 0.767 867 P CB 0.430 32.165 31.700 0.057 0.000 1.247 868 G N -0.108 108.572 108.800 -0.200 0.000 3.346 868 G HA2 -0.253 3.709 3.960 0.003 0.000 0.366 868 G HA3 -0.253 3.709 3.960 0.003 0.000 0.366 868 G C 0.530 175.274 174.900 -0.261 0.000 1.891 868 G CA 1.038 45.962 45.100 -0.294 0.000 2.071 868 G HN 0.996 nan 8.290 nan 0.000 0.902 869 G N -2.491 106.199 108.800 -0.182 0.000 2.354 869 G HA2 0.600 4.562 3.960 0.003 0.000 0.285 869 G HA3 0.600 4.562 3.960 0.003 0.000 0.285 869 G C -0.286 174.505 174.900 -0.182 0.000 1.390 869 G CA 0.646 45.612 45.100 -0.222 0.000 1.231 869 G HN 0.424 nan 8.290 nan 0.000 0.603 870 Q N 1.260 120.919 119.800 -0.234 0.000 1.907 870 Q HA 0.025 4.367 4.340 0.003 0.000 0.195 870 Q C 0.698 176.625 176.000 -0.122 0.000 0.742 870 Q CA 0.076 55.791 55.803 -0.147 0.000 0.877 870 Q CB 0.943 29.614 28.738 -0.111 0.000 1.216 870 Q HN 0.895 nan 8.270 nan 0.000 0.417 871 Y N -1.552 118.685 120.300 -0.105 0.000 2.458 871 Y HA 0.354 4.921 4.550 0.029 0.000 0.256 871 Y C 1.685 177.588 175.900 0.004 0.000 1.159 871 Y CA 0.680 58.757 58.100 -0.040 0.000 1.261 871 Y CB 0.091 38.524 38.460 -0.045 0.000 1.119 871 Y HN 0.013 nan 8.280 nan 0.000 0.524 872 S N -1.102 114.458 115.700 -0.232 0.000 2.564 872 S HA 0.071 4.542 4.470 0.003 0.000 0.231 872 S C 1.390 175.917 174.600 -0.122 0.000 1.067 872 S CA 0.425 58.519 58.200 -0.176 0.000 0.908 872 S CB -0.471 62.585 63.200 -0.241 0.000 0.809 872 S HN 0.336 nan 8.310 nan 0.000 0.491 873 N N 1.423 120.051 118.700 -0.120 0.000 2.333 873 N HA 0.192 4.934 4.740 0.003 0.000 0.178 873 N C 1.363 176.868 175.510 -0.009 0.000 1.018 873 N CA 0.808 53.821 53.050 -0.062 0.000 0.882 873 N CB -0.314 38.132 38.487 -0.068 0.000 0.984 873 N HN 0.483 nan 8.380 nan 0.000 0.434 874 L N -0.548 120.683 121.223 0.014 0.000 2.612 874 L HA 0.299 4.641 4.340 0.003 0.000 0.230 874 L C 1.151 178.131 176.870 0.183 0.000 1.140 874 L CA 0.253 55.141 54.840 0.080 0.000 0.896 874 L CB -0.135 41.953 42.059 0.049 0.000 1.065 874 L HN 0.004 nan 8.230 nan 0.000 0.447 875 S N -1.168 114.592 115.700 0.100 0.000 2.556 875 S HA 0.056 4.528 4.470 0.003 0.000 0.216 875 S C 1.404 175.976 174.600 -0.046 0.000 0.970 875 S CA 0.080 58.268 58.200 -0.020 0.000 0.912 875 S CB 0.151 63.109 63.200 -0.404 0.000 0.790 875 S HN 0.654 nan 8.310 nan 0.000 0.504 876 Q N -0.067 119.734 119.800 0.002 0.000 2.442 876 Q HA 0.198 4.540 4.340 0.003 0.000 0.228 876 Q C 1.805 177.826 176.000 0.036 0.000 0.902 876 Q CA 0.144 55.949 55.803 0.003 0.000 0.933 876 Q CB -0.074 28.661 28.738 -0.005 0.000 1.071 876 Q HN 0.478 nan 8.270 nan 0.000 0.562 877 Q N -0.537 119.297 119.800 0.057 0.000 2.515 877 Q HA -0.021 4.321 4.340 0.003 0.000 0.212 877 Q C 0.999 177.052 176.000 0.087 0.000 0.970 877 Q CA 0.767 56.612 55.803 0.071 0.000 0.941 877 Q CB 0.333 29.117 28.738 0.078 0.000 0.998 877 Q HN 0.375 nan 8.270 nan 0.000 0.518 878 A N -0.016 122.866 122.820 0.104 0.000 1.984 878 A HA 0.065 4.387 4.320 0.003 0.000 0.203 878 A C 1.781 179.423 177.584 0.096 0.000 1.292 878 A CA 0.147 52.260 52.037 0.125 0.000 0.782 878 A CB 0.116 19.245 19.000 0.216 0.000 0.924 878 A HN 0.158 nan 8.150 nan 0.000 0.475 879 K N 0.652 121.094 120.400 0.071 0.000 2.097 879 K HA -0.075 4.247 4.320 0.003 0.000 0.206 879 K C 2.093 178.714 176.600 0.035 0.000 1.049 879 K CA 1.574 57.886 56.287 0.041 0.000 0.933 879 K CB -0.142 32.362 32.500 0.007 0.000 0.717 879 K HN 0.411 nan 8.250 nan 0.000 0.442 880 S N 1.345 117.067 115.700 0.037 0.000 2.419 880 S HA -0.062 4.410 4.470 0.003 0.000 0.233 880 S C 1.635 176.258 174.600 0.039 0.000 1.016 880 S CA 0.904 59.125 58.200 0.034 0.000 0.974 880 S CB -0.109 63.113 63.200 0.037 0.000 0.786 880 S HN 0.240 nan 8.310 nan 0.000 0.492 881 L N 0.527 121.779 121.223 0.049 0.000 2.591 881 L HA 0.231 4.573 4.340 0.003 0.000 0.228 881 L C 1.492 178.386 176.870 0.041 0.000 1.133 881 L CA 0.330 55.199 54.840 0.048 0.000 0.880 881 L CB -0.618 41.478 42.059 0.062 0.000 1.033 881 L HN 0.480 nan 8.230 nan 0.000 0.450 882 G N 0.998 109.822 108.800 0.040 0.000 2.171 882 G HA2 -0.253 3.709 3.960 0.003 0.000 0.238 882 G HA3 -0.253 3.709 3.960 0.003 0.000 0.238 882 G C 0.205 175.128 174.900 0.040 0.000 1.039 882 G CA -0.012 45.107 45.100 0.033 0.000 0.759 882 G HN 0.340 nan 8.290 nan 0.000 0.501 883 L N -0.421 120.837 121.223 0.059 0.000 3.358 883 L HA 0.381 4.723 4.340 0.003 0.000 0.301 883 L C 2.197 179.139 176.870 0.120 0.000 1.276 883 L CA 0.310 55.196 54.840 0.076 0.000 1.028 883 L CB 0.479 42.581 42.059 0.072 0.000 1.421 883 L HN 0.211 nan 8.230 nan 0.000 0.604 884 G N -0.498 108.359 108.800 0.096 0.000 2.443 884 G HA2 -0.165 3.796 3.960 0.003 0.000 0.219 884 G HA3 -0.165 3.796 3.960 0.003 0.000 0.219 884 G C 1.337 176.291 174.900 0.090 0.000 1.131 884 G CA 0.371 45.524 45.100 0.088 0.000 0.775 884 G HN 0.230 nan 8.290 nan 0.000 0.547 885 E N 0.528 120.772 120.200 0.074 0.000 2.107 885 E HA 0.002 4.353 4.350 0.003 0.000 0.191 885 E C 1.915 178.573 176.600 0.096 0.000 0.982 885 E CA 0.356 56.796 56.400 0.067 0.000 0.809 885 E CB -0.020 29.705 29.700 0.042 0.000 0.756 885 E HN 0.334 nan 8.360 nan 0.000 0.459 886 R N 0.064 120.624 120.500 0.101 0.000 2.788 886 R HA 0.063 4.405 4.340 0.003 0.000 0.264 886 R C 1.140 177.510 176.300 0.116 0.000 1.267 886 R CA -0.333 55.818 56.100 0.086 0.000 1.213 886 R CB -0.304 30.025 30.300 0.049 0.000 1.256 886 R HN 0.046 nan 8.270 nan 0.000 0.556 887 F N 2.479 122.435 119.950 0.010 0.000 2.408 887 F HA -0.181 4.342 4.527 -0.007 0.000 0.300 887 F C 1.931 177.739 175.800 0.014 0.000 1.090 887 F CA 1.391 59.398 58.000 0.011 0.000 1.427 887 F CB 0.108 39.113 39.000 0.010 0.000 1.070 887 F HN 0.194 nan 8.300 nan 0.000 0.549 888 D N -0.091 120.328 120.400 0.031 0.000 2.178 888 D HA -0.250 4.392 4.640 0.003 0.000 0.201 888 D C 1.569 177.810 176.300 -0.098 0.000 0.980 888 D CA 1.380 55.365 54.000 -0.026 0.000 0.842 888 D CB -0.775 40.039 40.800 0.023 0.000 0.948 888 D HN 0.497 nan 8.370 nan 0.000 0.472 889 E N -0.511 119.631 120.200 -0.097 0.000 2.476 889 E HA 0.115 4.467 4.350 0.003 0.000 0.196 889 E C 1.071 177.597 176.600 -0.123 0.000 1.029 889 E CA -0.142 56.209 56.400 -0.083 0.000 0.896 889 E CB 0.640 30.314 29.700 -0.042 0.000 1.012 889 E HN 0.091 nan 8.360 nan 0.000 0.475 890 V N 0.294 120.051 119.914 -0.263 0.000 3.431 890 V HA 0.016 4.137 4.120 0.003 0.000 0.253 890 V C 1.745 177.609 176.094 -0.382 0.000 1.184 890 V CA 0.678 62.792 62.300 -0.309 0.000 1.104 890 V CB 0.204 31.802 31.823 -0.375 0.000 0.799 890 V HN 0.095 nan 8.190 nan 0.000 0.462 891 K N 0.417 120.534 120.400 -0.471 0.000 2.128 891 K HA -0.075 4.247 4.320 0.003 0.000 0.202 891 K C 1.796 178.380 176.600 -0.025 0.000 1.050 891 K CA 1.461 57.572 56.287 -0.294 0.000 0.966 891 K CB -0.050 32.337 32.500 -0.189 0.000 0.759 891 K HN 0.421 nan 8.250 nan 0.000 0.454 892 D N 0.630 121.006 120.400 -0.042 0.000 2.097 892 D HA -0.171 4.470 4.640 0.003 0.000 0.197 892 D C 1.973 178.293 176.300 0.034 0.000 0.984 892 D CA 1.028 55.035 54.000 0.012 0.000 0.826 892 D CB 0.166 40.955 40.800 -0.018 0.000 0.973 892 D HN -0.096 nan 8.370 nan 0.000 0.460 893 M N -0.580 119.027 119.600 0.011 0.000 2.059 893 M HA -0.118 4.363 4.480 0.003 0.000 0.259 893 M C 1.714 178.040 176.300 0.044 0.000 1.072 893 M CA 1.446 56.755 55.300 0.014 0.000 1.117 893 M CB -1.048 31.553 32.600 0.001 0.000 1.320 893 M HN 0.242 nan 8.290 nan 0.000 0.408 894 Y N 0.279 120.546 120.300 -0.055 0.000 2.073 894 Y HA -0.432 4.123 4.550 0.009 0.000 0.270 894 Y C 2.674 178.571 175.900 -0.005 0.000 1.226 894 Y CA 2.953 61.031 58.100 -0.037 0.000 1.117 894 Y CB -0.407 38.024 38.460 -0.049 0.000 0.939 894 Y HN 0.288 nan 8.280 nan 0.000 0.504 895 R N -0.020 120.619 120.500 0.232 0.000 2.075 895 R HA -0.141 4.201 4.340 0.003 0.000 0.232 895 R C 2.361 178.761 176.300 0.166 0.000 1.126 895 R CA 1.547 57.770 56.100 0.206 0.000 0.963 895 R CB -0.170 30.250 30.300 0.200 0.000 0.858 895 R HN 0.337 nan 8.270 nan 0.000 0.435 896 R N -0.133 120.415 120.500 0.080 0.000 2.148 896 R HA -0.055 4.287 4.340 0.003 0.000 0.227 896 R C 2.102 178.386 176.300 -0.026 0.000 1.103 896 R CA 1.132 57.259 56.100 0.045 0.000 0.983 896 R CB -0.094 30.205 30.300 -0.001 0.000 0.874 896 R HN 0.163 nan 8.270 nan 0.000 0.451 897 V N 1.675 121.502 119.914 -0.145 0.000 2.719 897 V HA -0.155 3.967 4.120 0.003 0.000 0.252 897 V C 2.167 177.924 176.094 -0.561 0.000 1.065 897 V CA 1.232 63.283 62.300 -0.415 0.000 1.086 897 V CB -0.643 30.915 31.823 -0.442 0.000 0.700 897 V HN 0.424 nan 8.190 nan 0.000 0.467 898 N N 0.249 118.768 118.700 -0.301 0.000 2.216 898 N HA -0.120 4.621 4.740 0.003 0.000 0.183 898 N C 1.437 176.772 175.510 -0.292 0.000 1.017 898 N CA 1.239 54.120 53.050 -0.280 0.000 0.861 898 N CB -0.039 38.292 38.487 -0.259 0.000 0.986 898 N HN 0.473 nan 8.380 nan 0.000 0.428 899 F N 0.428 120.316 119.950 -0.102 0.000 2.773 899 F HA 0.143 4.670 4.527 -0.001 0.000 0.304 899 F C 1.604 177.379 175.800 -0.041 0.000 1.129 899 F CA -0.148 57.826 58.000 -0.043 0.000 1.378 899 F CB 0.282 39.263 39.000 -0.033 0.000 1.095 899 F HN 0.054 nan 8.300 nan 0.000 0.565 900 L N -1.443 119.771 121.223 -0.014 0.000 2.357 900 L HA 0.171 4.513 4.340 0.003 0.000 0.211 900 L C 1.072 178.033 176.870 0.152 0.000 1.075 900 L CA 1.120 55.947 54.840 -0.022 0.000 0.830 900 L CB -0.246 41.690 42.059 -0.204 0.000 0.996 900 L HN -0.094 nan 8.230 nan 0.000 0.467 901 F N 0.797 120.817 119.950 0.118 0.000 2.664 901 F HA 0.446 4.975 4.527 0.003 0.000 0.301 901 F C 1.770 177.602 175.800 0.054 0.000 1.126 901 F CA -0.434 57.657 58.000 0.152 0.000 1.373 901 F CB -1.033 37.981 39.000 0.023 0.000 1.042 901 F HN 0.151 nan 8.300 nan 0.000 0.535 902 G N 0.685 109.588 108.800 0.173 0.000 2.160 902 G HA2 -0.309 3.653 3.960 0.003 0.000 0.251 902 G HA3 -0.309 3.653 3.960 0.003 0.000 0.251 902 G C -0.141 174.735 174.900 -0.040 0.000 1.008 902 G CA 0.190 45.329 45.100 0.065 0.000 0.724 902 G HN 0.445 nan 8.290 nan 0.000 0.514 903 D N -1.069 119.222 120.400 -0.182 0.000 5.148 903 D HA -0.131 4.510 4.640 0.003 0.000 0.234 903 D C 0.333 176.584 176.300 -0.082 0.000 1.348 903 D CA 1.625 55.434 54.000 -0.319 0.000 1.228 903 D CB -1.063 39.550 40.800 -0.312 0.000 0.664 903 D HN 1.699 nan 8.370 nan 0.000 0.328 904 I N -1.111 119.360 120.570 -0.165 0.000 2.934 904 I HA 0.719 4.891 4.170 0.003 0.000 0.306 904 I C 0.316 176.341 176.117 -0.154 0.000 1.110 904 I CA -1.287 59.977 61.300 -0.060 0.000 1.019 904 I CB 1.866 39.841 38.000 -0.042 0.000 1.227 904 I HN 0.013 nan 8.210 nan 0.000 0.434 905 V N 3.110 123.005 119.914 -0.031 0.000 2.872 905 V HA 0.092 4.214 4.120 0.003 0.000 0.307 905 V C 0.321 176.416 176.094 0.001 0.000 1.072 905 V CA -0.001 62.293 62.300 -0.010 0.000 1.148 905 V CB 0.412 32.312 31.823 0.128 0.000 0.954 905 V HN 0.703 nan 8.190 nan 0.000 0.490 906 K N 3.761 124.178 120.400 0.028 0.000 2.592 906 K HA 0.562 4.884 4.320 0.003 0.000 0.212 906 K C -1.190 175.475 176.600 0.107 0.000 1.013 906 K CA -0.303 56.022 56.287 0.063 0.000 1.034 906 K CB 1.533 34.087 32.500 0.091 0.000 1.292 906 K HN 0.568 nan 8.250 nan 0.000 0.521 907 V N -1.845 118.144 119.914 0.126 0.000 3.078 907 V HA 0.474 4.596 4.120 0.003 0.000 0.311 907 V C 0.361 176.549 176.094 0.156 0.000 1.138 907 V CA -1.272 61.118 62.300 0.150 0.000 1.007 907 V CB 1.446 33.382 31.823 0.189 0.000 1.045 907 V HN 0.638 nan 8.190 nan 0.000 0.432 908 T N -0.151 114.495 114.554 0.154 0.000 2.946 908 T HA 0.270 4.622 4.350 0.003 0.000 0.311 908 T C -1.856 172.939 174.700 0.159 0.000 1.063 908 T CA -0.468 61.718 62.100 0.143 0.000 1.139 908 T CB 0.540 69.492 68.868 0.139 0.000 0.994 908 T HN 0.736 nan 8.240 nan 0.000 0.547 909 P HA 0.176 nan 4.420 nan 0.000 0.253 909 P C 1.074 178.417 177.300 0.072 0.000 1.459 909 P CA -0.216 62.945 63.100 0.103 0.000 0.908 909 P CB 0.036 31.793 31.700 0.096 0.000 1.470 910 S N -0.726 115.010 115.700 0.061 0.000 2.470 910 S HA -0.067 4.405 4.470 0.003 0.000 0.222 910 S C 1.863 176.444 174.600 -0.031 0.000 1.024 910 S CA 0.920 59.101 58.200 -0.032 0.000 0.931 910 S CB -1.045 62.136 63.200 -0.031 0.000 0.791 910 S HN 0.183 nan 8.310 nan 0.000 0.513 911 S N 1.365 117.100 115.700 0.058 0.000 2.428 911 S HA 0.084 4.555 4.470 0.003 0.000 0.230 911 S C 1.711 176.396 174.600 0.143 0.000 1.014 911 S CA 0.983 59.257 58.200 0.124 0.000 0.957 911 S CB -0.475 62.821 63.200 0.160 0.000 0.784 911 S HN 0.481 nan 8.310 nan 0.000 0.499 912 K N 1.270 121.730 120.400 0.101 0.000 2.366 912 K HA 0.237 4.559 4.320 0.003 0.000 0.198 912 K C 1.576 178.221 176.600 0.076 0.000 1.044 912 K CA 0.622 56.970 56.287 0.102 0.000 0.973 912 K CB -0.383 32.174 32.500 0.094 0.000 0.767 912 K HN 0.299 nan 8.250 nan 0.000 0.475 913 V N -0.527 119.397 119.914 0.016 0.000 2.599 913 V HA -0.109 4.012 4.120 0.003 0.000 0.245 913 V C 1.911 178.035 176.094 0.051 0.000 1.046 913 V CA 1.084 63.367 62.300 -0.027 0.000 1.065 913 V CB 0.182 31.865 31.823 -0.232 0.000 0.703 913 V HN 0.061 nan 8.190 nan 0.000 0.464 914 V N 0.863 120.764 119.914 -0.021 0.000 2.515 914 V HA -0.078 4.044 4.120 0.003 0.000 0.250 914 V C 2.107 178.105 176.094 -0.160 0.000 1.058 914 V CA 1.933 64.130 62.300 -0.171 0.000 1.064 914 V CB -0.954 30.461 31.823 -0.679 0.000 0.675 914 V HN 0.591 nan 8.190 nan 0.000 0.461 915 G N -1.361 107.503 108.800 0.107 0.000 3.518 915 G HA2 0.098 4.060 3.960 0.003 0.000 0.273 915 G HA3 0.098 4.060 3.960 0.003 0.000 0.273 915 G C 0.478 175.485 174.900 0.178 0.000 1.199 915 G CA 0.005 45.279 45.100 0.289 0.000 0.899 915 G HN 0.386 nan 8.290 nan 0.000 0.533 916 D N -0.530 119.952 120.400 0.136 0.000 2.489 916 D HA 0.135 4.777 4.640 0.003 0.000 0.231 916 D C 2.135 178.508 176.300 0.122 0.000 1.114 916 D CA -0.095 53.972 54.000 0.113 0.000 0.842 916 D CB 0.461 41.307 40.800 0.078 0.000 1.133 916 D HN 0.126 nan 8.370 nan 0.000 0.506 917 M N 0.286 119.981 119.600 0.159 0.000 2.476 917 M HA 0.177 4.659 4.480 0.003 0.000 0.262 917 M C 1.955 178.347 176.300 0.155 0.000 1.111 917 M CA 0.278 55.696 55.300 0.196 0.000 1.127 917 M CB -0.026 32.718 32.600 0.240 0.000 1.376 917 M HN -0.066 nan 8.290 nan 0.000 0.465 918 A N 0.170 123.057 122.820 0.112 0.000 1.969 918 A HA -0.071 4.251 4.320 0.003 0.000 0.218 918 A C 1.766 179.414 177.584 0.106 0.000 1.169 918 A CA 1.025 53.121 52.037 0.099 0.000 0.635 918 A CB -0.358 18.740 19.000 0.164 0.000 0.810 918 A HN 0.360 nan 8.150 nan 0.000 0.445 919 L N -1.713 119.594 121.223 0.141 0.000 2.611 919 L HA 0.130 4.472 4.340 0.003 0.000 0.229 919 L C 1.462 178.445 176.870 0.188 0.000 1.137 919 L CA 1.030 55.952 54.840 0.137 0.000 0.901 919 L CB -1.128 41.013 42.059 0.136 0.000 1.098 919 L HN 0.604 nan 8.230 nan 0.000 0.456 920 Y N -0.604 119.711 120.300 0.024 0.000 2.581 920 Y HA 0.113 4.665 4.550 0.002 0.000 0.271 920 Y C 2.268 178.160 175.900 -0.014 0.000 1.100 920 Y CA 0.586 58.690 58.100 0.006 0.000 1.281 920 Y CB 0.346 38.817 38.460 0.019 0.000 1.237 920 Y HN 0.040 nan 8.280 nan 0.000 0.514 921 M N -1.357 118.256 119.600 0.021 0.000 2.558 921 M HA -0.023 4.459 4.480 0.003 0.000 0.255 921 M C 1.383 177.643 176.300 -0.066 0.000 1.113 921 M CA 0.524 55.787 55.300 -0.060 0.000 1.097 921 M CB 0.270 32.861 32.600 -0.015 0.000 1.426 921 M HN 0.039 nan 8.290 nan 0.000 0.488 922 V N -0.484 119.410 119.914 -0.034 0.000 2.436 922 V HA -0.129 3.993 4.120 0.003 0.000 0.240 922 V C 2.097 178.167 176.094 -0.041 0.000 1.040 922 V CA 1.289 63.572 62.300 -0.029 0.000 1.052 922 V CB -0.489 31.332 31.823 -0.004 0.000 0.707 922 V HN 0.419 nan 8.190 nan 0.000 0.469 923 Q N 1.090 120.870 119.800 -0.033 0.000 2.291 923 Q HA -0.136 4.206 4.340 0.003 0.000 0.206 923 Q C 0.756 176.700 176.000 -0.092 0.000 0.976 923 Q CA 1.513 57.294 55.803 -0.037 0.000 0.875 923 Q CB 0.095 28.835 28.738 0.004 0.000 0.927 923 Q HN 0.862 nan 8.270 nan 0.000 0.450 924 N N -0.499 118.102 118.700 -0.165 0.000 2.390 924 N HA 0.042 4.783 4.740 0.003 0.000 0.259 924 N C -1.479 173.915 175.510 -0.193 0.000 1.395 924 N CA -0.100 52.829 53.050 -0.200 0.000 0.852 924 N CB 0.565 38.875 38.487 -0.295 0.000 1.371 924 N HN -0.024 nan 8.380 nan 0.000 0.491 925 D N 1.608 121.925 120.400 -0.139 0.000 4.543 925 D HA -0.144 4.498 4.640 0.003 0.000 0.236 925 D C -0.547 175.686 176.300 -0.111 0.000 1.047 925 D CA 0.777 54.716 54.000 -0.103 0.000 1.254 925 D CB -0.184 40.567 40.800 -0.080 0.000 0.762 925 D HN 0.232 nan 8.370 nan 0.000 0.381 926 L N 1.568 122.737 121.223 -0.091 0.000 2.510 926 L HA 0.612 4.953 4.340 0.003 0.000 0.252 926 L C 0.213 177.055 176.870 -0.046 0.000 1.091 926 L CA -0.381 54.416 54.840 -0.073 0.000 0.888 926 L CB 1.642 43.652 42.059 -0.081 0.000 1.507 926 L HN 0.603 nan 8.230 nan 0.000 0.407 927 D N -2.443 117.938 120.400 -0.032 0.000 2.838 927 D HA 0.184 4.825 4.640 0.003 0.000 0.334 927 D C -0.018 176.275 176.300 -0.012 0.000 1.315 927 D CA -0.442 53.544 54.000 -0.023 0.000 0.917 927 D CB 0.677 41.463 40.800 -0.023 0.000 1.435 927 D HN 0.339 nan 8.370 nan 0.000 0.517 928 E N -0.760 119.434 120.200 -0.010 0.000 2.510 928 E HA -0.120 4.232 4.350 0.003 0.000 0.202 928 E C 0.566 177.174 176.600 0.013 0.000 1.072 928 E CA 0.943 57.343 56.400 -0.000 0.000 0.883 928 E CB -0.011 29.688 29.700 -0.002 0.000 0.818 928 E HN 0.611 nan 8.360 nan 0.000 0.548 929 Q N -2.002 117.804 119.800 0.011 0.000 1.988 929 Q HA 0.087 4.429 4.340 0.003 0.000 0.202 929 Q C 1.425 177.436 176.000 0.018 0.000 0.760 929 Q CA 0.304 56.119 55.803 0.020 0.000 0.940 929 Q CB 0.034 28.782 28.738 0.018 0.000 1.214 929 Q HN 0.073 nan 8.270 nan 0.000 0.432 930 S N -0.340 115.363 115.700 0.006 0.000 2.458 930 S HA 0.008 4.479 4.470 0.003 0.000 0.223 930 S C 1.726 176.326 174.600 0.001 0.000 1.019 930 S CA 0.602 58.800 58.200 -0.004 0.000 0.937 930 S CB 0.220 63.406 63.200 -0.022 0.000 0.788 930 S HN 0.207 nan 8.310 nan 0.000 0.511 931 V N 1.225 121.149 119.914 0.016 0.000 2.809 931 V HA 0.132 4.254 4.120 0.003 0.000 0.256 931 V C 1.907 178.042 176.094 0.069 0.000 1.080 931 V CA 1.259 63.582 62.300 0.038 0.000 1.102 931 V CB -0.486 31.375 31.823 0.063 0.000 0.705 931 V HN 0.596 nan 8.190 nan 0.000 0.475 932 I N -0.579 120.030 120.570 0.066 0.000 2.584 932 I HA -0.116 4.056 4.170 0.003 0.000 0.255 932 I C 2.277 178.448 176.117 0.091 0.000 1.145 932 I CA 1.505 62.856 61.300 0.084 0.000 1.462 932 I CB -0.179 37.866 38.000 0.075 0.000 1.102 932 I HN 0.328 nan 8.210 nan 0.000 0.433 933 T N -0.708 113.880 114.554 0.057 0.000 2.673 933 T HA -0.095 4.256 4.350 0.003 0.000 0.248 933 T C 0.486 175.198 174.700 0.020 0.000 1.080 933 T CA 0.823 62.951 62.100 0.048 0.000 1.203 933 T CB -0.237 68.644 68.868 0.021 0.000 0.893 933 T HN 0.044 nan 8.240 nan 0.000 0.404 934 D N 0.731 121.108 120.400 -0.038 0.000 2.563 934 D HA 0.487 5.129 4.640 0.003 0.000 0.222 934 D C 0.717 176.946 176.300 -0.117 0.000 1.145 934 D CA -0.078 53.848 54.000 -0.123 0.000 1.001 934 D CB 0.212 40.939 40.800 -0.121 0.000 1.049 934 D HN 0.440 nan 8.370 nan 0.000 0.515 935 G N 0.352 109.103 108.800 -0.082 0.000 2.759 935 G HA2 -0.104 3.858 3.960 0.003 0.000 0.197 935 G HA3 -0.104 3.858 3.960 0.003 0.000 0.197 935 G C 0.866 175.853 174.900 0.145 0.000 1.067 935 G CA -0.340 44.783 45.100 0.039 0.000 0.742 935 G HN 0.454 nan 8.290 nan 0.000 0.651 936 Y N 0.934 121.321 120.300 0.144 0.000 2.519 936 Y HA 0.475 5.027 4.550 0.003 0.000 0.311 936 Y C 1.633 177.635 175.900 0.170 0.000 1.207 936 Y CA -0.099 58.113 58.100 0.187 0.000 1.289 936 Y CB -0.175 38.340 38.460 0.092 0.000 1.059 936 Y HN 0.088 nan 8.280 nan 0.000 0.507 937 K N 0.912 121.250 120.400 -0.103 0.000 3.590 937 K HA 0.306 4.628 4.320 0.003 0.000 0.170 937 K C 0.093 176.670 176.600 -0.037 0.000 1.138 937 K CA -0.399 55.833 56.287 -0.090 0.000 1.560 937 K CB -0.159 32.215 32.500 -0.210 0.000 2.149 937 K HN 0.238 nan 8.250 nan 0.000 0.487 938 L N 2.868 124.012 121.223 -0.133 0.000 2.483 938 L HA -0.035 4.307 4.340 0.003 0.000 0.276 938 L C 0.201 176.915 176.870 -0.260 0.000 1.213 938 L CA 0.030 54.788 54.840 -0.137 0.000 0.843 938 L CB -0.072 41.907 42.059 -0.133 0.000 1.107 938 L HN 0.665 nan 8.230 nan 0.000 0.487 939 D N 1.213 121.542 120.400 -0.118 0.000 2.947 939 D HA -0.266 4.376 4.640 0.003 0.000 0.077 939 D C -1.238 174.869 176.300 -0.321 0.000 0.980 939 D CA 1.341 55.298 54.000 -0.072 0.000 0.524 939 D CB 0.080 40.906 40.800 0.043 0.000 0.717 939 D HN 0.237 nan 8.370 nan 0.000 0.245 940 F N 1.530 121.494 119.950 0.022 0.000 2.581 940 F HA 0.404 4.932 4.527 0.002 0.000 0.311 940 F C -1.646 174.032 175.800 -0.203 0.000 1.113 940 F CA -1.447 56.488 58.000 -0.109 0.000 0.935 940 F CB 2.157 41.118 39.000 -0.066 0.000 1.232 940 F HN 0.053 nan 8.300 nan 0.000 0.445 941 P HA 0.217 nan 4.420 nan 0.000 0.279 941 P C 0.494 177.779 177.300 -0.025 0.000 1.239 941 P CA -0.318 62.679 63.100 -0.172 0.000 0.789 941 P CB 1.119 32.628 31.700 -0.318 0.000 0.933 942 E N 1.183 121.380 120.200 -0.005 0.000 2.033 942 E HA -0.184 4.168 4.350 0.003 0.000 0.199 942 E C 1.753 178.372 176.600 0.032 0.000 1.011 942 E CA 2.300 58.712 56.400 0.020 0.000 0.815 942 E CB -0.504 29.212 29.700 0.027 0.000 0.755 942 E HN 0.599 nan 8.360 nan 0.000 0.451 943 S N -0.084 115.641 115.700 0.041 0.000 2.428 943 S HA -0.067 4.405 4.470 0.003 0.000 0.230 943 S C 2.243 176.901 174.600 0.098 0.000 1.014 943 S CA 1.080 59.318 58.200 0.064 0.000 0.957 943 S CB -0.385 62.852 63.200 0.062 0.000 0.784 943 S HN 0.035 nan 8.310 nan 0.000 0.499 944 V N 2.728 122.698 119.914 0.094 0.000 2.283 944 V HA -0.129 3.993 4.120 0.003 0.000 0.243 944 V C 2.833 179.057 176.094 0.216 0.000 1.039 944 V CA 1.561 63.963 62.300 0.170 0.000 1.016 944 V CB -1.039 30.868 31.823 0.141 0.000 0.650 944 V HN 0.614 nan 8.190 nan 0.000 0.449 945 V N -1.856 118.097 119.914 0.064 0.000 2.594 945 V HA -0.211 3.911 4.120 0.003 0.000 0.253 945 V C 2.413 178.508 176.094 0.002 0.000 1.069 945 V CA 2.293 64.578 62.300 -0.024 0.000 1.082 945 V CB -1.028 30.724 31.823 -0.120 0.000 0.680 945 V HN 0.476 nan 8.190 nan 0.000 0.469 946 S N 0.250 115.972 115.700 0.037 0.000 2.368 946 S HA -0.151 4.321 4.470 0.003 0.000 0.224 946 S C 1.767 176.385 174.600 0.030 0.000 1.029 946 S CA 1.634 59.846 58.200 0.020 0.000 0.988 946 S CB -0.571 62.650 63.200 0.034 0.000 0.838 946 S HN 0.770 nan 8.310 nan 0.000 0.462 947 F N 0.821 120.740 119.950 -0.052 0.000 2.146 947 F HA 0.063 4.593 4.527 0.005 0.000 0.298 947 F C 1.514 177.195 175.800 -0.198 0.000 1.096 947 F CA 1.386 59.313 58.000 -0.121 0.000 1.275 947 F CB -0.407 38.481 39.000 -0.187 0.000 1.008 947 F HN 0.242 nan 8.300 nan 0.000 0.480 948 F N 0.771 120.478 119.950 -0.406 0.000 2.661 948 F HA 0.050 4.579 4.527 0.002 0.000 0.298 948 F C 2.211 177.602 175.800 -0.682 0.000 1.137 948 F CA 0.860 58.394 58.000 -0.777 0.000 1.454 948 F CB -0.399 38.269 39.000 -0.554 0.000 1.103 948 F HN -0.084 nan 8.300 nan 0.000 0.577 949 K N -0.342 119.899 120.400 -0.265 0.000 2.365 949 K HA 0.140 4.461 4.320 0.003 0.000 0.197 949 K C 1.269 177.747 176.600 -0.203 0.000 1.042 949 K CA 0.818 56.977 56.287 -0.213 0.000 0.987 949 K CB 0.033 32.448 32.500 -0.142 0.000 0.779 949 K HN 0.286 nan 8.250 nan 0.000 0.484 950 G N 1.472 110.114 108.800 -0.263 0.000 2.131 950 G HA2 -0.196 3.766 3.960 0.003 0.000 0.201 950 G HA3 -0.196 3.766 3.960 0.003 0.000 0.201 950 G C -0.083 174.746 174.900 -0.118 0.000 1.000 950 G CA 0.037 45.005 45.100 -0.219 0.000 0.680 950 G HN 0.433 nan 8.290 nan 0.000 0.514 951 E N -0.605 119.537 120.200 -0.097 0.000 2.365 951 E HA 0.387 4.739 4.350 0.003 0.000 0.188 951 E C 1.493 178.088 176.600 -0.009 0.000 1.102 951 E CA 0.073 56.449 56.400 -0.039 0.000 0.927 951 E CB 0.265 29.936 29.700 -0.048 0.000 1.073 951 E HN 0.617 nan 8.360 nan 0.000 0.467 952 I N -0.889 119.682 120.570 0.002 0.000 4.620 952 I HA 0.179 4.351 4.170 0.003 0.000 0.347 952 I C -0.166 176.004 176.117 0.088 0.000 1.302 952 I CA 0.282 61.618 61.300 0.060 0.000 1.277 952 I CB 1.039 39.115 38.000 0.127 0.000 1.566 952 I HN 0.129 nan 8.210 nan 0.000 0.547 953 G N 2.863 111.689 108.800 0.044 0.000 2.906 953 G HA2 -0.109 3.853 3.960 0.003 0.000 0.686 953 G HA3 -0.109 3.853 3.960 0.003 0.000 0.686 953 G C -0.861 173.819 174.900 -0.367 0.000 1.170 953 G CA -0.813 44.330 45.100 0.072 0.000 0.775 953 G HN 0.153 nan 8.290 nan 0.000 0.630 954 Q N 1.486 120.623 119.800 -1.105 0.000 2.395 954 Q HA 0.333 4.675 4.340 0.003 0.000 0.271 954 Q C -1.801 173.693 176.000 -0.843 0.000 1.026 954 Q CA -0.497 54.633 55.803 -1.122 0.000 0.900 954 Q CB 1.070 28.928 28.738 -1.467 0.000 1.266 954 Q HN 0.530 nan 8.270 nan 0.000 0.430 955 P HA 0.208 nan 4.420 nan 0.000 0.304 955 P C 0.509 177.601 177.300 -0.347 0.000 1.310 955 P CA -0.546 62.340 63.100 -0.356 0.000 0.796 955 P CB 0.705 32.256 31.700 -0.249 0.000 1.297 956 V N -0.246 119.553 119.914 -0.192 0.000 2.379 956 V HA -0.152 3.969 4.120 0.003 0.000 0.245 956 V C 1.485 177.454 176.094 -0.208 0.000 1.044 956 V CA 2.081 64.275 62.300 -0.176 0.000 1.036 956 V CB -1.494 30.211 31.823 -0.197 0.000 0.664 956 V HN 0.448 nan 8.190 nan 0.000 0.453 957 N N -0.464 118.107 118.700 -0.215 0.000 2.373 957 N HA 0.346 5.088 4.740 0.003 0.000 0.181 957 N C 1.022 176.389 175.510 -0.238 0.000 1.082 957 N CA 0.862 53.803 53.050 -0.183 0.000 0.885 957 N CB 0.789 39.210 38.487 -0.111 0.000 0.977 957 N HN 0.561 nan 8.380 nan 0.000 0.462 958 G N -0.126 108.418 108.800 -0.426 0.000 2.498 958 G HA2 -0.249 3.713 3.960 0.003 0.000 0.251 958 G HA3 -0.249 3.713 3.960 0.003 0.000 0.251 958 G C -0.497 173.891 174.900 -0.854 0.000 1.170 958 G CA -0.222 44.511 45.100 -0.610 0.000 0.944 958 G HN 0.174 nan 8.290 nan 0.000 0.567 959 F N 0.195 120.119 119.950 -0.044 0.000 2.675 959 F HA 0.559 5.088 4.527 0.002 0.000 0.324 959 F C 0.325 176.180 175.800 0.091 0.000 1.106 959 F CA -0.626 57.402 58.000 0.048 0.000 0.970 959 F CB 1.959 40.997 39.000 0.063 0.000 1.385 959 F HN 0.599 nan 8.300 nan 0.000 0.489 960 N N 1.567 120.498 118.700 0.386 0.000 2.422 960 N HA 0.081 4.822 4.740 0.003 0.000 0.266 960 N C 0.753 176.382 175.510 0.199 0.000 1.007 960 N CA -0.248 52.944 53.050 0.237 0.000 0.941 960 N CB 1.252 39.865 38.487 0.210 0.000 1.115 960 N HN 0.629 nan 8.380 nan 0.000 0.492 961 K N 3.613 124.093 120.400 0.133 0.000 2.032 961 K HA -0.222 4.099 4.320 0.003 0.000 0.218 961 K C 0.453 177.088 176.600 0.058 0.000 1.054 961 K CA 2.019 58.357 56.287 0.085 0.000 0.941 961 K CB -0.149 32.385 32.500 0.056 0.000 0.720 961 K HN 0.687 nan 8.250 nan 0.000 0.449 962 D N 0.828 121.263 120.400 0.059 0.000 2.144 962 D HA -0.180 4.462 4.640 0.003 0.000 0.200 962 D C 2.087 178.415 176.300 0.046 0.000 0.978 962 D CA 0.871 54.897 54.000 0.043 0.000 0.833 962 D CB -0.251 40.581 40.800 0.052 0.000 0.961 962 D HN 0.236 nan 8.370 nan 0.000 0.470 963 L N 0.636 121.905 121.223 0.076 0.000 2.056 963 L HA -0.136 4.206 4.340 0.003 0.000 0.207 963 L C 2.345 179.179 176.870 -0.059 0.000 1.078 963 L CA 1.624 56.502 54.840 0.063 0.000 0.749 963 L CB -0.517 41.644 42.059 0.171 0.000 0.901 963 L HN -0.113 nan 8.230 nan 0.000 0.433 964 Q N -0.600 119.197 119.800 -0.004 0.000 2.083 964 Q HA -0.150 4.192 4.340 0.003 0.000 0.198 964 Q C 2.096 177.987 176.000 -0.181 0.000 0.969 964 Q CA 1.513 57.247 55.803 -0.115 0.000 0.838 964 Q CB -0.152 28.568 28.738 -0.030 0.000 0.900 964 Q HN 0.674 nan 8.270 nan 0.000 0.436 965 A N -0.163 122.595 122.820 -0.104 0.000 1.968 965 A HA -0.063 4.258 4.320 0.003 0.000 0.217 965 A C 2.117 179.628 177.584 -0.121 0.000 1.169 965 A CA 1.008 52.979 52.037 -0.111 0.000 0.638 965 A CB -0.363 18.594 19.000 -0.072 0.000 0.812 965 A HN 0.288 nan 8.150 nan 0.000 0.446 966 V N 0.001 119.868 119.914 -0.078 0.000 2.453 966 V HA -0.186 3.936 4.120 0.003 0.000 0.247 966 V C 2.319 178.348 176.094 -0.108 0.000 1.048 966 V CA 1.845 64.152 62.300 0.011 0.000 1.049 966 V CB -0.440 31.461 31.823 0.129 0.000 0.672 966 V HN 0.580 nan 8.190 nan 0.000 0.457 967 I N -0.742 119.651 120.570 -0.295 0.000 2.500 967 I HA -0.153 4.019 4.170 0.003 0.000 0.252 967 I C 2.030 177.586 176.117 -0.935 0.000 1.142 967 I CA 1.265 62.152 61.300 -0.688 0.000 1.451 967 I CB -0.109 37.565 38.000 -0.544 0.000 1.093 967 I HN 0.225 nan 8.210 nan 0.000 0.430 968 L N 0.437 121.342 121.223 -0.530 0.000 2.478 968 L HA -0.037 4.305 4.340 0.003 0.000 0.223 968 L C 1.685 178.355 176.870 -0.334 0.000 1.140 968 L CA 0.353 54.954 54.840 -0.398 0.000 0.842 968 L CB -0.148 41.750 42.059 -0.268 0.000 0.953 968 L HN 0.271 nan 8.230 nan 0.000 0.452 969 K N 0.816 121.019 120.400 -0.328 0.000 3.445 969 K HA -0.251 4.070 4.320 0.003 0.000 0.316 969 K C 0.766 177.293 176.600 -0.122 0.000 1.278 969 K CA 0.925 57.108 56.287 -0.173 0.000 0.976 969 K CB -1.268 31.149 32.500 -0.139 0.000 1.238 969 K HN 0.611 nan 8.250 nan 0.000 0.430 970 G N 0.749 109.462 108.800 -0.144 0.000 2.288 970 G HA2 -0.231 3.730 3.960 0.003 0.000 0.205 970 G HA3 -0.231 3.730 3.960 0.003 0.000 0.205 970 G C -0.316 174.521 174.900 -0.105 0.000 1.071 970 G CA 0.424 45.456 45.100 -0.113 0.000 0.788 970 G HN 0.431 nan 8.290 nan 0.000 0.491 971 Q N -0.156 119.571 119.800 -0.122 0.000 2.221 971 Q HA 0.455 4.797 4.340 0.003 0.000 0.242 971 Q C 0.109 176.040 176.000 -0.116 0.000 0.940 971 Q CA -0.790 54.946 55.803 -0.112 0.000 0.896 971 Q CB 0.923 29.591 28.738 -0.115 0.000 1.226 971 Q HN 0.272 nan 8.270 nan 0.000 0.463 972 E N 1.130 121.262 120.200 -0.114 0.000 2.271 972 E HA 0.051 4.403 4.350 0.003 0.000 0.255 972 E C -0.867 175.656 176.600 -0.128 0.000 1.177 972 E CA 0.016 56.343 56.400 -0.122 0.000 0.946 972 E CB 0.049 29.661 29.700 -0.146 0.000 1.009 972 E HN 0.495 nan 8.360 nan 0.000 0.451 973 A N 5.567 128.318 122.820 -0.115 0.000 2.457 973 A HA 0.213 4.535 4.320 0.003 0.000 0.298 973 A C 0.424 177.967 177.584 -0.069 0.000 1.288 973 A CA -0.442 51.526 52.037 -0.114 0.000 0.956 973 A CB -0.306 18.616 19.000 -0.130 0.000 1.135 973 A HN 0.581 nan 8.150 nan 0.000 0.535 974 L N 3.398 124.585 121.223 -0.060 0.000 2.477 974 L HA 0.062 4.403 4.340 0.003 0.000 0.272 974 L C 1.943 178.877 176.870 0.107 0.000 1.157 974 L CA 0.009 54.868 54.840 0.032 0.000 0.889 974 L CB 0.158 42.266 42.059 0.082 0.000 1.158 974 L HN 0.939 nan 8.230 nan 0.000 0.473 975 T N 0.209 114.853 114.554 0.150 0.000 2.737 975 T HA -0.039 4.312 4.350 0.003 0.000 0.265 975 T C 1.002 175.798 174.700 0.160 0.000 1.038 975 T CA 0.536 62.706 62.100 0.117 0.000 1.144 975 T CB -0.028 68.904 68.868 0.108 0.000 0.866 975 T HN 0.624 nan 8.240 nan 0.000 0.434 976 A N 1.490 124.450 122.820 0.233 0.000 2.327 976 A HA 0.470 4.791 4.320 0.003 0.000 0.255 976 A C 0.582 178.306 177.584 0.233 0.000 1.099 976 A CA -0.735 51.385 52.037 0.138 0.000 0.801 976 A CB -0.051 18.830 19.000 -0.198 0.000 1.062 976 A HN 0.508 nan 8.150 nan 0.000 0.496 977 R N 1.257 121.898 120.500 0.236 0.000 2.513 977 R HA 0.018 4.359 4.340 0.003 0.000 0.333 977 R C -1.528 174.865 176.300 0.154 0.000 0.925 977 R CA -0.891 55.366 56.100 0.263 0.000 1.072 977 R CB 0.211 30.494 30.300 -0.029 0.000 0.914 977 R HN 0.462 nan 8.270 nan 0.000 0.408 978 P HA -0.199 nan 4.420 nan 0.000 0.220 978 P C 0.701 178.066 177.300 0.108 0.000 1.155 978 P CA 1.806 65.002 63.100 0.159 0.000 0.880 978 P CB 0.013 31.778 31.700 0.109 0.000 0.790 979 G N -0.837 108.004 108.800 0.068 0.000 3.440 979 G HA2 -0.018 3.944 3.960 0.003 0.000 0.263 979 G HA3 -0.018 3.944 3.960 0.003 0.000 0.263 979 G C 1.114 176.023 174.900 0.015 0.000 1.236 979 G CA -0.089 45.036 45.100 0.043 0.000 0.927 979 G HN 0.318 nan 8.290 nan 0.000 0.530 980 E N -0.957 119.231 120.200 -0.019 0.000 2.391 980 E HA 0.074 4.425 4.350 0.003 0.000 0.206 980 E C 1.034 177.581 176.600 -0.087 0.000 0.851 980 E CA -0.330 56.013 56.400 -0.094 0.000 1.059 980 E CB 0.276 29.858 29.700 -0.197 0.000 1.065 980 E HN 0.517 nan 8.360 nan 0.000 0.512 981 Y N 0.929 121.234 120.300 0.008 0.000 2.352 981 Y HA 0.022 4.574 4.550 0.003 0.000 0.292 981 Y C 0.839 176.734 175.900 -0.007 0.000 1.136 981 Y CA 0.095 58.195 58.100 -0.000 0.000 1.227 981 Y CB 0.322 38.779 38.460 -0.004 0.000 0.991 981 Y HN -0.023 nan 8.280 nan 0.000 0.545 982 L N 1.545 122.849 121.223 0.134 0.000 2.410 982 L HA 0.021 4.363 4.340 0.003 0.000 0.273 982 L C 0.477 177.381 176.870 0.057 0.000 1.152 982 L CA 0.076 54.957 54.840 0.068 0.000 0.855 982 L CB 0.421 42.498 42.059 0.031 0.000 1.129 982 L HN 0.137 nan 8.230 nan 0.000 0.463 983 E N 5.307 125.536 120.200 0.048 0.000 2.283 983 E HA 0.254 4.606 4.350 0.003 0.000 0.278 983 E C -2.214 174.416 176.600 0.051 0.000 1.027 983 E CA -1.834 54.593 56.400 0.045 0.000 0.843 983 E CB 1.214 30.937 29.700 0.038 0.000 1.062 983 E HN 0.266 nan 8.360 nan 0.000 0.401 984 P HA -0.110 nan 4.420 nan 0.000 0.263 984 P C -0.724 176.630 177.300 0.090 0.000 1.168 984 P CA 0.219 63.370 63.100 0.083 0.000 0.759 984 P CB 0.324 32.066 31.700 0.069 0.000 0.782 985 V N 3.495 123.483 119.914 0.123 0.000 2.546 985 V HA 0.038 4.160 4.120 0.003 0.000 0.284 985 V C 0.829 176.986 176.094 0.105 0.000 1.050 985 V CA -0.060 62.273 62.300 0.056 0.000 0.981 985 V CB 0.997 32.773 31.823 -0.079 0.000 0.990 985 V HN 0.496 nan 8.190 nan 0.000 0.474 986 D N 3.639 124.070 120.400 0.051 0.000 2.455 986 D HA 0.091 4.733 4.640 0.003 0.000 0.234 986 D C 0.795 177.141 176.300 0.076 0.000 1.224 986 D CA 0.147 54.197 54.000 0.082 0.000 0.999 986 D CB 0.056 40.886 40.800 0.049 0.000 1.072 986 D HN 0.428 nan 8.370 nan 0.000 0.514 987 F N 1.614 121.582 119.950 0.030 0.000 2.126 987 F HA -0.173 4.356 4.527 0.003 0.000 0.299 987 F C 2.294 178.103 175.800 0.015 0.000 1.096 987 F CA 1.227 59.245 58.000 0.029 0.000 1.255 987 F CB 0.027 39.042 39.000 0.024 0.000 0.997 987 F HN 0.352 nan 8.300 nan 0.000 0.479 988 E N 0.490 120.803 120.200 0.188 0.000 2.106 988 E HA -0.166 4.185 4.350 0.003 0.000 0.192 988 E C 2.003 178.634 176.600 0.051 0.000 0.984 988 E CA 1.339 57.799 56.400 0.101 0.000 0.806 988 E CB -0.132 29.613 29.700 0.074 0.000 0.750 988 E HN 0.055 nan 8.360 nan 0.000 0.458 989 K N -0.040 120.383 120.400 0.038 0.000 2.103 989 K HA -0.022 4.300 4.320 0.003 0.000 0.204 989 K C 2.135 178.722 176.600 -0.022 0.000 1.052 989 K CA 0.980 57.273 56.287 0.009 0.000 0.945 989 K CB -0.316 32.193 32.500 0.013 0.000 0.722 989 K HN 0.116 nan 8.250 nan 0.000 0.443 990 V N 1.748 121.638 119.914 -0.040 0.000 2.261 990 V HA -0.290 3.832 4.120 0.003 0.000 0.246 990 V C 2.585 178.615 176.094 -0.107 0.000 1.047 990 V CA 2.205 64.444 62.300 -0.103 0.000 1.015 990 V CB -0.509 31.241 31.823 -0.122 0.000 0.642 990 V HN 0.332 nan 8.190 nan 0.000 0.446 991 R N 0.930 121.408 120.500 -0.036 0.000 2.117 991 R HA -0.222 4.119 4.340 0.003 0.000 0.243 991 R C 2.169 178.457 176.300 -0.019 0.000 1.143 991 R CA 2.326 58.420 56.100 -0.010 0.000 0.968 991 R CB -0.625 29.700 30.300 0.042 0.000 0.863 991 R HN 0.604 nan 8.270 nan 0.000 0.444 992 E N -0.093 120.097 120.200 -0.017 0.000 2.112 992 E HA -0.110 4.242 4.350 0.003 0.000 0.190 992 E C 1.279 177.862 176.600 -0.028 0.000 0.979 992 E CA 0.858 57.250 56.400 -0.013 0.000 0.814 992 E CB 0.032 29.730 29.700 -0.002 0.000 0.762 992 E HN 0.401 nan 8.360 nan 0.000 0.460 993 L N 0.947 122.139 121.223 -0.052 0.000 2.592 993 L HA 0.154 4.496 4.340 0.003 0.000 0.227 993 L C 1.907 178.715 176.870 -0.103 0.000 1.127 993 L CA 0.351 55.154 54.840 -0.063 0.000 0.884 993 L CB 0.067 42.091 42.059 -0.058 0.000 1.065 993 L HN 0.119 nan 8.230 nan 0.000 0.457 994 L N -1.508 119.643 121.223 -0.120 0.000 2.446 994 L HA 0.009 4.350 4.340 0.003 0.000 0.219 994 L C 1.823 178.678 176.870 -0.026 0.000 1.116 994 L CA 0.477 55.250 54.840 -0.111 0.000 0.844 994 L CB 0.107 42.086 42.059 -0.134 0.000 0.970 994 L HN 0.325 nan 8.230 nan 0.000 0.457 995 E N -0.295 119.894 120.200 -0.018 0.000 2.250 995 E HA -0.117 4.234 4.350 0.003 0.000 0.192 995 E C 1.544 178.147 176.600 0.004 0.000 0.986 995 E CA 0.320 56.722 56.400 0.003 0.000 0.849 995 E CB 0.314 30.017 29.700 0.005 0.000 0.797 995 E HN 0.443 nan 8.360 nan 0.000 0.482 996 E N 0.754 120.952 120.200 -0.004 0.000 2.285 996 E HA -0.130 4.222 4.350 0.003 0.000 0.194 996 E C 1.581 178.183 176.600 0.003 0.000 0.997 996 E CA 0.505 56.904 56.400 -0.001 0.000 0.845 996 E CB 0.211 29.909 29.700 -0.003 0.000 0.782 996 E HN 0.244 nan 8.360 nan 0.000 0.491 997 E N 0.478 120.681 120.200 0.004 0.000 2.033 997 E HA -0.087 4.265 4.350 0.003 0.000 0.189 997 E C 0.961 177.572 176.600 0.018 0.000 0.979 997 E CA 0.738 57.146 56.400 0.013 0.000 0.802 997 E CB 0.288 30.001 29.700 0.021 0.000 0.763 997 E HN 0.181 nan 8.360 nan 0.000 0.449 998 Q N -0.033 119.783 119.800 0.027 0.000 2.226 998 Q HA 0.019 4.360 4.340 0.003 0.000 0.171 998 Q C 1.552 177.564 176.000 0.021 0.000 1.077 998 Q CA -0.322 55.499 55.803 0.030 0.000 1.135 998 Q CB 0.205 28.976 28.738 0.055 0.000 1.413 998 Q HN 0.135 nan 8.270 nan 0.000 0.589 999 Q N -0.702 119.112 119.800 0.023 0.000 2.137 999 Q HA 0.019 4.361 4.340 0.003 0.000 0.198 999 Q C 0.765 176.776 176.000 0.019 0.000 0.960 999 Q CA 1.713 57.527 55.803 0.018 0.000 0.847 999 Q CB 0.334 29.081 28.738 0.016 0.000 0.915 999 Q HN 0.816 nan 8.270 nan 0.000 0.448 1000 G N 0.887 109.702 108.800 0.024 0.000 3.358 1000 G HA2 0.040 4.002 3.960 0.003 0.000 0.106 1000 G HA3 0.040 4.002 3.960 0.003 0.000 0.106 1000 G C -2.465 172.451 174.900 0.028 0.000 1.614 1000 G CA -0.082 45.031 45.100 0.022 0.000 1.046 1000 G HN 0.317 nan 8.290 nan 0.000 0.320 1001 P HA 0.524 nan 4.420 nan 0.000 0.271 1001 P C -0.869 176.459 177.300 0.046 0.000 1.226 1001 P CA 0.331 63.450 63.100 0.031 0.000 0.765 1001 P CB 1.829 33.546 31.700 0.028 0.000 0.835 1002 V N 3.787 123.727 119.914 0.043 0.000 2.577 1002 V HA 0.305 4.426 4.120 0.003 0.000 0.303 1002 V C 0.747 176.866 176.094 0.042 0.000 1.042 1002 V CA -0.476 61.859 62.300 0.059 0.000 0.872 1002 V CB 2.075 33.932 31.823 0.058 0.000 0.998 1002 V HN 0.708 nan 8.190 nan 0.000 0.423 1003 T N 0.902 115.482 114.554 0.043 0.000 2.874 1003 T HA 0.309 4.660 4.350 0.003 0.000 0.281 1003 T C 1.024 175.718 174.700 -0.009 0.000 0.994 1003 T CA -0.473 61.631 62.100 0.007 0.000 1.015 1003 T CB 1.269 70.131 68.868 -0.011 0.000 1.028 1003 T HN 0.594 nan 8.240 nan 0.000 0.523 1004 E N 0.949 121.127 120.200 -0.038 0.000 2.130 1004 E HA -0.219 4.133 4.350 0.003 0.000 0.196 1004 E C 2.096 178.640 176.600 -0.093 0.000 0.998 1004 E CA 1.559 57.938 56.400 -0.035 0.000 0.806 1004 E CB -0.251 29.412 29.700 -0.062 0.000 0.738 1004 E HN 0.772 nan 8.360 nan 0.000 0.459 1005 Q N 0.540 120.198 119.800 -0.237 0.000 2.030 1005 Q HA -0.166 4.176 4.340 0.003 0.000 0.204 1005 Q C 1.931 177.858 176.000 -0.123 0.000 0.986 1005 Q CA 1.575 57.090 55.803 -0.480 0.000 0.843 1005 Q CB -0.043 28.275 28.738 -0.700 0.000 0.904 1005 Q HN 0.242 nan 8.270 nan 0.000 0.420 1006 D N 0.341 120.750 120.400 0.015 0.000 2.158 1006 D HA -0.188 4.454 4.640 0.003 0.000 0.197 1006 D C 1.807 178.053 176.300 -0.090 0.000 0.995 1006 D CA 1.166 55.220 54.000 0.090 0.000 0.846 1006 D CB -0.177 40.736 40.800 0.187 0.000 0.941 1006 D HN 0.314 nan 8.370 nan 0.000 0.456 1007 I N 0.876 121.439 120.570 -0.012 0.000 2.193 1007 I HA -0.203 3.969 4.170 0.003 0.000 0.240 1007 I C 2.553 178.696 176.117 0.042 0.000 1.084 1007 I CA 0.737 62.042 61.300 0.008 0.000 1.365 1007 I CB -0.290 37.767 38.000 0.095 0.000 1.064 1007 I HN -0.004 nan 8.210 nan 0.000 0.410 1008 I N -1.503 119.157 120.570 0.151 0.000 2.252 1008 I HA -0.156 4.015 4.170 0.003 0.000 0.245 1008 I C 2.561 178.814 176.117 0.227 0.000 1.102 1008 I CA 1.261 62.696 61.300 0.225 0.000 1.385 1008 I CB -0.784 37.456 38.000 0.401 0.000 1.064 1008 I HN -0.016 nan 8.210 nan 0.000 0.414 1009 S N 0.759 116.651 115.700 0.320 0.000 2.365 1009 S HA -0.277 4.195 4.470 0.003 0.000 0.225 1009 S C 1.952 176.564 174.600 0.019 0.000 1.039 1009 S CA 2.132 60.570 58.200 0.397 0.000 1.033 1009 S CB -0.827 62.614 63.200 0.402 0.000 0.887 1009 S HN 0.678 nan 8.310 nan 0.000 0.447 1010 Y N 2.509 122.516 120.300 -0.489 0.000 2.070 1010 Y HA -0.239 4.313 4.550 0.003 0.000 0.280 1010 Y C 2.313 178.180 175.900 -0.055 0.000 1.148 1010 Y CA 1.668 59.535 58.100 -0.388 0.000 1.125 1010 Y CB -0.815 37.358 38.460 -0.480 0.000 0.975 1010 Y HN 0.015 nan 8.280 nan 0.000 0.492 1011 V N 0.932 120.858 119.914 0.019 0.000 2.250 1011 V HA -0.391 3.731 4.120 0.003 0.000 0.250 1011 V C 2.518 178.585 176.094 -0.046 0.000 1.060 1011 V CA 2.356 64.626 62.300 -0.049 0.000 1.030 1011 V CB -0.958 30.819 31.823 -0.078 0.000 0.643 1011 V HN 0.512 nan 8.190 nan 0.000 0.445 1012 L N -2.008 119.180 121.223 -0.057 0.000 2.042 1012 L HA -0.153 4.188 4.340 0.003 0.000 0.210 1012 L C 0.827 177.660 176.870 -0.063 0.000 1.076 1012 L CA 1.659 56.391 54.840 -0.181 0.000 0.749 1012 L CB -0.237 41.736 42.059 -0.143 0.000 0.893 1012 L HN 0.372 nan 8.230 nan 0.000 0.432 1013 Y N -2.167 118.198 120.300 0.109 0.000 2.490 1013 Y HA 0.232 4.783 4.550 0.002 0.000 0.346 1013 Y C -1.780 174.060 175.900 -0.100 0.000 1.023 1013 Y CA -1.912 56.250 58.100 0.104 0.000 1.142 1013 Y CB 0.363 38.856 38.460 0.054 0.000 1.126 1013 Y HN -0.090 nan 8.280 nan 0.000 0.647 1014 P HA -0.270 nan 4.420 nan 0.000 0.209 1014 P C 1.258 178.481 177.300 -0.128 0.000 1.167 1014 P CA 2.121 64.921 63.100 -0.500 0.000 0.941 1014 P CB 0.428 31.929 31.700 -0.332 0.000 0.787 1015 K N -0.743 119.637 120.400 -0.034 0.000 2.155 1015 K HA -0.024 4.297 4.320 0.003 0.000 0.203 1015 K C 1.968 178.593 176.600 0.042 0.000 1.052 1015 K CA 1.025 57.329 56.287 0.028 0.000 0.948 1015 K CB -0.737 31.762 32.500 -0.002 0.000 0.728 1015 K HN 0.034 nan 8.250 nan 0.000 0.448 1016 V N 0.718 120.649 119.914 0.028 0.000 2.407 1016 V HA -0.265 3.857 4.120 0.003 0.000 0.248 1016 V C 2.069 178.191 176.094 0.047 0.000 1.055 1016 V CA 1.611 63.916 62.300 0.008 0.000 1.049 1016 V CB -0.628 31.187 31.823 -0.012 0.000 0.662 1016 V HN 0.260 nan 8.190 nan 0.000 0.455 1017 Y N 1.141 121.421 120.300 -0.034 0.000 2.184 1017 Y HA -0.153 4.399 4.550 0.003 0.000 0.290 1017 Y C 2.573 178.585 175.900 0.187 0.000 1.129 1017 Y CA 1.865 59.971 58.100 0.009 0.000 1.144 1017 Y CB -0.196 38.270 38.460 0.010 0.000 0.995 1017 Y HN 0.274 nan 8.280 nan 0.000 0.513 1018 E N -0.114 120.239 120.200 0.254 0.000 2.187 1018 E HA -0.336 4.016 4.350 0.003 0.000 0.199 1018 E C 2.058 178.682 176.600 0.040 0.000 1.004 1018 E CA 1.826 58.326 56.400 0.166 0.000 0.813 1018 E CB -0.136 29.688 29.700 0.206 0.000 0.736 1018 E HN 0.680 nan 8.360 nan 0.000 0.468 1019 Q N -0.736 119.089 119.800 0.042 0.000 2.096 1019 Q HA -0.150 4.192 4.340 0.003 0.000 0.197 1019 Q C 1.904 177.924 176.000 0.033 0.000 0.964 1019 Q CA 1.082 56.902 55.803 0.028 0.000 0.838 1019 Q CB -0.167 28.588 28.738 0.027 0.000 0.906 1019 Q HN 0.386 nan 8.270 nan 0.000 0.444 1020 Y N 1.022 121.273 120.300 -0.082 0.000 2.224 1020 Y HA -0.201 4.351 4.550 0.003 0.000 0.289 1020 Y C 1.634 177.471 175.900 -0.105 0.000 1.146 1020 Y CA 1.088 59.155 58.100 -0.056 0.000 1.182 1020 Y CB 0.118 38.597 38.460 0.032 0.000 0.983 1020 Y HN 0.058 nan 8.280 nan 0.000 0.524 1021 I N 0.544 121.009 120.570 -0.174 0.000 3.111 1021 I HA -0.163 4.009 4.170 0.003 0.000 0.272 1021 I C 1.690 177.710 176.117 -0.161 0.000 1.268 1021 I CA 0.847 62.021 61.300 -0.209 0.000 1.467 1021 I CB -0.977 36.938 38.000 -0.143 0.000 1.087 1021 I HN 0.410 nan 8.210 nan 0.000 0.467 1022 Q N 0.336 120.061 119.800 -0.126 0.000 2.137 1022 Q HA -0.032 4.309 4.340 0.003 0.000 0.198 1022 Q C 2.072 177.978 176.000 -0.156 0.000 0.960 1022 Q CA 1.346 57.084 55.803 -0.108 0.000 0.847 1022 Q CB -0.265 28.435 28.738 -0.064 0.000 0.915 1022 Q HN 0.433 nan 8.270 nan 0.000 0.448 1023 T N 0.281 114.731 114.554 -0.173 0.000 3.035 1023 T HA 0.063 4.414 4.350 0.003 0.000 0.259 1023 T C 1.815 176.392 174.700 -0.205 0.000 1.078 1023 T CA 0.337 62.342 62.100 -0.157 0.000 1.132 1023 T CB 0.203 69.050 68.868 -0.035 0.000 0.900 1023 T HN 0.141 nan 8.240 nan 0.000 0.480 1024 R N 1.054 121.355 120.500 -0.330 0.000 2.153 1024 R HA 0.142 4.483 4.340 0.003 0.000 0.218 1024 R C 2.154 178.346 176.300 -0.181 0.000 1.072 1024 R CA 0.681 56.608 56.100 -0.289 0.000 0.990 1024 R CB -0.078 29.954 30.300 -0.447 0.000 0.889 1024 R HN 0.453 nan 8.270 nan 0.000 0.452 1025 N N -0.183 118.410 118.700 -0.179 0.000 2.120 1025 N HA -0.176 4.565 4.740 0.003 0.000 0.188 1025 N C 1.499 176.919 175.510 -0.150 0.000 1.024 1025 N CA 1.020 53.991 53.050 -0.132 0.000 0.852 1025 N CB 0.143 38.561 38.487 -0.115 0.000 1.003 1025 N HN 0.291 nan 8.380 nan 0.000 0.424 1026 Q N 0.189 119.852 119.800 -0.229 0.000 1.638 1026 Q HA -0.063 4.279 4.340 0.003 0.000 0.436 1026 Q C 1.137 176.990 176.000 -0.246 0.000 0.941 1026 Q CA 1.161 56.747 55.803 -0.362 0.000 0.899 1026 Q CB -0.285 28.023 28.738 -0.717 0.000 0.930 1026 Q HN 0.476 nan 8.270 nan 0.000 0.401 1027 Y N 0.386 120.676 120.300 -0.015 0.000 2.578 1027 Y HA 0.073 4.624 4.550 0.003 0.000 0.297 1027 Y C 1.306 177.170 175.900 -0.060 0.000 1.176 1027 Y CA -0.089 58.005 58.100 -0.009 0.000 1.315 1027 Y CB -0.014 38.458 38.460 0.019 0.000 1.031 1027 Y HN 0.538 nan 8.280 nan 0.000 0.524 1028 G N 1.063 109.878 108.800 0.026 0.000 2.525 1028 G HA2 -0.323 3.639 3.960 0.003 0.000 0.248 1028 G HA3 -0.323 3.639 3.960 0.003 0.000 0.248 1028 G C -0.425 174.452 174.900 -0.039 0.000 1.238 1028 G CA -0.276 44.816 45.100 -0.014 0.000 0.926 1028 G HN 0.377 nan 8.290 nan 0.000 0.574 1029 N N 1.254 119.938 118.700 -0.027 0.000 2.645 1029 N HA 0.360 5.101 4.740 0.003 0.000 0.233 1029 N C 1.656 177.142 175.510 -0.041 0.000 1.058 1029 N CA -0.236 52.801 53.050 -0.022 0.000 0.942 1029 N CB 0.366 38.855 38.487 0.003 0.000 1.210 1029 N HN 0.454 nan 8.380 nan 0.000 0.512 1030 L N 1.830 123.019 121.223 -0.057 0.000 2.275 1030 L HA -0.138 4.204 4.340 0.003 0.000 0.215 1030 L C 2.447 179.257 176.870 -0.101 0.000 1.119 1030 L CA 0.589 55.366 54.840 -0.104 0.000 0.790 1030 L CB -0.290 41.714 42.059 -0.091 0.000 0.919 1030 L HN 0.513 nan 8.230 nan 0.000 0.443 1031 S N 0.245 115.885 115.700 -0.100 0.000 2.419 1031 S HA -0.183 4.289 4.470 0.003 0.000 0.235 1031 S C 1.809 176.348 174.600 -0.103 0.000 1.019 1031 S CA 1.038 59.156 58.200 -0.137 0.000 0.982 1031 S CB -0.632 62.522 63.200 -0.077 0.000 0.789 1031 S HN 0.454 nan 8.310 nan 0.000 0.490 1032 L N 0.342 121.526 121.223 -0.065 0.000 2.376 1032 L HA 0.230 4.572 4.340 0.003 0.000 0.219 1032 L C 0.754 177.599 176.870 -0.042 0.000 1.133 1032 L CA 0.092 54.907 54.840 -0.042 0.000 0.816 1032 L CB -0.564 41.479 42.059 -0.026 0.000 0.933 1032 L HN 0.246 nan 8.230 nan 0.000 0.449 1033 L N 0.924 122.117 121.223 -0.050 0.000 2.456 1033 L HA -0.022 4.320 4.340 0.003 0.000 0.272 1033 L C 0.310 177.144 176.870 -0.060 0.000 1.189 1033 L CA -0.314 54.509 54.840 -0.028 0.000 0.846 1033 L CB 0.176 42.252 42.059 0.028 0.000 1.111 1033 L HN 0.189 nan 8.230 nan 0.000 0.475 1034 D N -0.006 120.361 120.400 -0.055 0.000 2.399 1034 D HA 0.024 4.666 4.640 0.003 0.000 0.241 1034 D C 0.955 177.154 176.300 -0.167 0.000 1.133 1034 D CA -0.381 53.554 54.000 -0.108 0.000 0.890 1034 D CB 0.678 41.413 40.800 -0.107 0.000 1.201 1034 D HN 0.540 nan 8.370 nan 0.000 0.432 1035 T N 1.843 116.232 114.554 -0.275 0.000 2.653 1035 T HA -0.130 4.222 4.350 0.003 0.000 0.268 1035 T C -0.873 173.667 174.700 -0.267 0.000 1.035 1035 T CA 1.524 63.409 62.100 -0.359 0.000 1.154 1035 T CB -1.091 67.562 68.868 -0.358 0.000 0.862 1035 T HN 0.487 nan 8.240 nan 0.000 0.441 1036 P HA -0.040 nan 4.420 nan 0.000 0.216 1036 P C 1.622 179.029 177.300 0.179 0.000 1.150 1036 P CA 1.201 64.339 63.100 0.064 0.000 0.837 1036 P CB -0.269 31.418 31.700 -0.021 0.000 0.786 1037 T N -1.118 113.473 114.554 0.061 0.000 2.857 1037 T HA -0.126 4.226 4.350 0.003 0.000 0.266 1037 T C 1.455 176.219 174.700 0.106 0.000 1.048 1037 T CA 0.830 62.987 62.100 0.094 0.000 1.139 1037 T CB -1.028 67.883 68.868 0.072 0.000 0.874 1037 T HN 0.050 nan 8.240 nan 0.000 0.455 1038 F N 0.894 120.777 119.950 -0.110 0.000 2.126 1038 F HA -0.028 4.500 4.527 0.002 0.000 0.299 1038 F C 1.654 177.231 175.800 -0.372 0.000 1.096 1038 F CA 1.281 59.180 58.000 -0.169 0.000 1.255 1038 F CB -0.379 38.341 39.000 -0.467 0.000 0.997 1038 F HN 0.157 nan 8.300 nan 0.000 0.479 1039 F N -1.951 117.800 119.950 -0.331 0.000 2.317 1039 F HA 0.003 4.532 4.527 0.004 0.000 0.293 1039 F C 1.443 176.764 175.800 -0.798 0.000 1.085 1039 F CA 0.488 57.970 58.000 -0.863 0.000 1.390 1039 F CB -0.131 38.389 39.000 -0.800 0.000 1.077 1039 F HN -0.132 nan 8.300 nan 0.000 0.517 1040 F N -0.871 119.105 119.950 0.045 0.000 2.728 1040 F HA 0.388 4.917 4.527 0.002 0.000 0.314 1040 F C 1.489 177.279 175.800 -0.016 0.000 1.094 1040 F CA 0.360 58.378 58.000 0.029 0.000 1.217 1040 F CB 0.242 39.277 39.000 0.058 0.000 1.056 1040 F HN 0.047 nan 8.300 nan 0.000 0.577 1041 G N 1.697 110.550 108.800 0.089 0.000 2.559 1041 G HA2 -0.300 3.662 3.960 0.003 0.000 0.282 1041 G HA3 -0.300 3.662 3.960 0.003 0.000 0.282 1041 G C -0.091 174.865 174.900 0.094 0.000 1.177 1041 G CA 0.187 45.307 45.100 0.035 0.000 0.960 1041 G HN 0.093 nan 8.290 nan 0.000 0.540 1042 M N 0.714 120.366 119.600 0.087 0.000 2.470 1042 M HA 0.440 4.922 4.480 0.003 0.000 0.285 1042 M C 0.243 176.581 176.300 0.062 0.000 1.213 1042 M CA -0.759 54.592 55.300 0.086 0.000 0.901 1042 M CB 2.712 35.379 32.600 0.111 0.000 1.718 1042 M HN 0.922 nan 8.290 nan 0.000 0.469 1043 R N 1.629 122.155 120.500 0.042 0.000 2.543 1043 R HA 0.428 4.769 4.340 0.003 0.000 0.268 1043 R C -0.598 175.716 176.300 0.025 0.000 1.067 1043 R CA -0.590 55.522 56.100 0.020 0.000 1.142 1043 R CB 0.591 30.887 30.300 -0.007 0.000 1.110 1043 R HN 0.661 nan 8.270 nan 0.000 0.549 1044 N N 0.281 118.989 118.700 0.013 0.000 2.447 1044 N HA 0.050 4.791 4.740 0.003 0.000 0.263 1044 N C 0.181 175.702 175.510 0.018 0.000 1.226 1044 N CA 1.172 54.231 53.050 0.015 0.000 0.906 1044 N CB 0.677 39.167 38.487 0.006 0.000 1.060 1044 N HN 0.903 nan 8.380 nan 0.000 0.468 1045 G N 1.348 110.166 108.800 0.029 0.000 2.198 1045 G HA2 -0.273 3.689 3.960 0.003 0.000 0.257 1045 G HA3 -0.273 3.689 3.960 0.003 0.000 0.257 1045 G C -0.038 174.883 174.900 0.036 0.000 1.042 1045 G CA 0.038 45.157 45.100 0.031 0.000 0.791 1045 G HN 0.679 nan 8.290 nan 0.000 0.502 1046 E N -0.340 119.889 120.200 0.048 0.000 2.250 1046 E HA 0.616 4.968 4.350 0.003 0.000 0.269 1046 E C -0.433 176.204 176.600 0.062 0.000 1.018 1046 E CA -0.389 56.040 56.400 0.049 0.000 0.873 1046 E CB 0.985 30.714 29.700 0.049 0.000 1.134 1046 E HN 0.083 nan 8.360 nan 0.000 0.403 1047 T N 1.898 116.483 114.554 0.051 0.000 2.786 1047 T HA 0.406 4.758 4.350 0.003 0.000 0.283 1047 T C -0.990 173.737 174.700 0.044 0.000 0.992 1047 T CA -0.460 61.671 62.100 0.052 0.000 0.954 1047 T CB 1.193 70.086 68.868 0.043 0.000 0.934 1047 T HN 0.169 nan 8.240 nan 0.000 0.440 1048 V N 3.441 123.382 119.914 0.044 0.000 2.769 1048 V HA 0.519 4.641 4.120 0.003 0.000 0.312 1048 V C -0.582 175.524 176.094 0.020 0.000 1.061 1048 V CA -0.800 61.520 62.300 0.033 0.000 0.931 1048 V CB 2.296 34.143 31.823 0.040 0.000 1.010 1048 V HN 0.830 nan 8.190 nan 0.000 0.433 1049 E N 4.422 124.631 120.200 0.014 0.000 2.210 1049 E HA 0.560 4.912 4.350 0.003 0.000 0.266 1049 E C -1.504 175.097 176.600 0.002 0.000 0.883 1049 E CA -0.642 55.762 56.400 0.007 0.000 0.761 1049 E CB 2.322 32.028 29.700 0.010 0.000 1.156 1049 E HN 0.341 nan 8.360 nan 0.000 0.412 1050 I N 1.974 122.541 120.570 -0.004 0.000 2.447 1050 I HA 0.232 4.404 4.170 0.003 0.000 0.287 1050 I C -0.180 175.932 176.117 -0.008 0.000 1.023 1050 I CA -0.482 60.814 61.300 -0.007 0.000 1.083 1050 I CB 1.718 39.711 38.000 -0.012 0.000 1.245 1050 I HN 0.571 nan 8.210 nan 0.000 0.434 1051 E N 5.319 125.515 120.200 -0.006 0.000 2.014 1051 E HA 0.221 4.573 4.350 0.003 0.000 0.275 1051 E C 0.897 177.493 176.600 -0.007 0.000 0.997 1051 E CA -0.354 56.043 56.400 -0.005 0.000 0.804 1051 E CB 0.915 30.614 29.700 -0.002 0.000 1.090 1051 E HN 0.644 nan 8.360 nan 0.000 0.401 1052 I N 1.018 121.584 120.570 -0.007 0.000 3.428 1052 I HA 0.276 4.447 4.170 0.003 0.000 0.286 1052 I C 0.116 176.231 176.117 -0.003 0.000 1.287 1052 I CA 0.470 61.765 61.300 -0.007 0.000 1.396 1052 I CB 0.326 38.321 38.000 -0.008 0.000 1.062 1052 I HN 0.284 nan 8.210 nan 0.000 0.471 1053 D N -0.340 120.059 120.400 -0.002 0.000 2.912 1053 D HA 0.163 4.804 4.640 0.003 0.000 0.263 1053 D C -1.273 175.027 176.300 -0.001 0.000 1.152 1053 D CA -0.688 53.312 54.000 0.000 0.000 0.728 1053 D CB 0.951 41.751 40.800 -0.000 0.000 1.337 1053 D HN -0.088 nan 8.370 nan 0.000 0.435 1054 K N 1.443 121.843 120.400 -0.000 0.000 2.466 1054 K HA 0.379 4.701 4.320 0.003 0.000 0.278 1054 K C 1.112 177.711 176.600 -0.002 0.000 1.048 1054 K CA 1.218 57.504 56.287 -0.001 0.000 1.088 1054 K CB 0.220 32.719 32.500 -0.002 0.000 0.884 1054 K HN 0.834 nan 8.250 nan 0.000 0.478 1055 G N 3.006 111.805 108.800 -0.001 0.000 2.184 1055 G HA2 -0.333 3.629 3.960 0.003 0.000 0.264 1055 G HA3 -0.333 3.629 3.960 0.003 0.000 0.264 1055 G C 0.123 175.023 174.900 -0.001 0.000 0.975 1055 G CA 0.359 45.459 45.100 -0.001 0.000 0.642 1055 G HN 0.536 nan 8.290 nan 0.000 0.536 1056 K N 0.979 121.378 120.400 -0.002 0.000 2.533 1056 K HA 0.304 4.626 4.320 0.003 0.000 0.207 1056 K C 0.478 177.076 176.600 -0.004 0.000 1.052 1056 K CA -0.574 55.711 56.287 -0.003 0.000 1.030 1056 K CB 0.355 32.852 32.500 -0.004 0.000 1.522 1056 K HN 0.546 nan 8.250 nan 0.000 0.543 1057 R N 2.930 123.429 120.500 -0.002 0.000 2.246 1057 R HA 0.326 4.668 4.340 0.003 0.000 0.332 1057 R C -0.441 175.857 176.300 -0.003 0.000 0.974 1057 R CA -0.792 55.307 56.100 -0.003 0.000 0.837 1057 R CB 0.178 30.478 30.300 0.001 0.000 1.145 1057 R HN 0.177 nan 8.270 nan 0.000 0.467 1058 L N 1.962 123.180 121.223 -0.009 0.000 2.326 1058 L HA 0.482 4.824 4.340 0.003 0.000 0.278 1058 L C -0.085 176.779 176.870 -0.009 0.000 1.092 1058 L CA -1.085 53.748 54.840 -0.012 0.000 0.810 1058 L CB 0.543 42.587 42.059 -0.026 0.000 1.153 1058 L HN 0.440 nan 8.230 nan 0.000 0.439 1059 I N 4.543 125.112 120.570 -0.002 0.000 2.297 1059 I HA 0.412 4.584 4.170 0.003 0.000 0.291 1059 I C -0.102 176.019 176.117 0.007 0.000 1.033 1059 I CA -0.357 60.947 61.300 0.007 0.000 1.253 1059 I CB 0.748 38.758 38.000 0.017 0.000 1.396 1059 I HN 0.597 nan 8.210 nan 0.000 0.476 1060 I N 6.183 126.756 120.570 0.004 0.000 2.389 1060 I HA 0.370 4.542 4.170 0.003 0.000 0.288 1060 I C 0.072 176.234 176.117 0.075 0.000 0.999 1060 I CA -0.564 60.738 61.300 0.003 0.000 1.129 1060 I CB 1.657 39.603 38.000 -0.089 0.000 1.288 1060 I HN 0.512 nan 8.210 nan 0.000 0.444 1061 K N 7.863 128.345 120.400 0.136 0.000 2.450 1061 K HA 0.529 4.851 4.320 0.003 0.000 0.257 1061 K C -1.290 175.470 176.600 0.267 0.000 0.953 1061 K CA -0.665 55.719 56.287 0.162 0.000 0.844 1061 K CB 1.728 34.292 32.500 0.107 0.000 1.103 1061 K HN 0.671 nan 8.250 nan 0.000 0.429 1062 L N 3.757 125.137 121.223 0.262 0.000 2.305 1062 L HA 0.298 4.639 4.340 0.003 0.000 0.281 1062 L C 0.271 177.180 176.870 0.065 0.000 1.085 1062 L CA 0.248 55.172 54.840 0.140 0.000 0.813 1062 L CB 1.196 43.303 42.059 0.080 0.000 1.157 1062 L HN 0.857 nan 8.230 nan 0.000 0.436 1063 E N 2.070 122.295 120.200 0.043 0.000 2.110 1063 E HA 0.156 4.508 4.350 0.003 0.000 0.193 1063 E C -0.502 176.113 176.600 0.024 0.000 0.950 1063 E CA 0.875 57.301 56.400 0.043 0.000 0.840 1063 E CB 0.565 30.295 29.700 0.049 0.000 0.809 1063 E HN 0.864 nan 8.360 nan 0.000 0.465 1064 T N -0.807 113.778 114.554 0.052 0.000 2.886 1064 T HA 0.471 4.823 4.350 0.003 0.000 0.330 1064 T C -0.592 174.178 174.700 0.117 0.000 1.488 1064 T CA -0.797 61.335 62.100 0.054 0.000 1.054 1064 T CB 1.279 70.161 68.868 0.023 0.000 1.348 1064 T HN -0.049 nan 8.240 nan 0.000 0.489 1065 I N 2.051 122.654 120.570 0.056 0.000 2.577 1065 I HA 0.572 4.744 4.170 0.003 0.000 0.305 1065 I C 0.997 177.161 176.117 0.079 0.000 0.986 1065 I CA -0.812 60.513 61.300 0.041 0.000 1.189 1065 I CB 1.911 39.901 38.000 -0.017 0.000 1.355 1065 I HN 0.962 nan 8.210 nan 0.000 0.476 1066 S N 3.611 119.364 115.700 0.088 0.000 2.618 1066 S HA 0.478 4.950 4.470 0.003 0.000 0.284 1066 S C -0.108 174.516 174.600 0.040 0.000 1.102 1066 S CA -0.778 57.481 58.200 0.098 0.000 0.984 1066 S CB 0.876 64.182 63.200 0.178 0.000 1.280 1066 S HN 0.487 nan 8.310 nan 0.000 0.525 1067 E N 1.869 122.090 120.200 0.035 0.000 2.342 1067 E HA 0.465 4.817 4.350 0.003 0.000 0.257 1067 E C -2.593 174.002 176.600 -0.009 0.000 1.150 1067 E CA -2.422 53.985 56.400 0.011 0.000 0.926 1067 E CB -0.572 29.135 29.700 0.011 0.000 1.074 1067 E HN 0.393 nan 8.360 nan 0.000 0.449 1068 P HA 0.082 nan 4.420 nan 0.000 0.282 1068 P C -0.446 176.833 177.300 -0.035 0.000 1.262 1068 P CA -0.315 62.766 63.100 -0.030 0.000 0.773 1068 P CB 0.512 32.198 31.700 -0.024 0.000 0.879 1069 D N 1.528 121.892 120.400 -0.059 0.000 2.425 1069 D HA 0.001 4.643 4.640 0.003 0.000 0.274 1069 D C 1.066 177.336 176.300 -0.049 0.000 1.242 1069 D CA -0.350 53.614 54.000 -0.060 0.000 1.060 1069 D CB 0.132 40.870 40.800 -0.104 0.000 1.112 1069 D HN 0.358 nan 8.370 nan 0.000 0.561 1070 E N -0.620 119.553 120.200 -0.045 0.000 2.209 1070 E HA -0.224 4.128 4.350 0.003 0.000 0.196 1070 E C 1.038 177.615 176.600 -0.038 0.000 0.993 1070 E CA 1.087 57.467 56.400 -0.032 0.000 0.819 1070 E CB 0.044 29.730 29.700 -0.023 0.000 0.745 1070 E HN 0.418 nan 8.360 nan 0.000 0.477 1071 N N -1.624 117.041 118.700 -0.059 0.000 2.358 1071 N HA 0.085 4.827 4.740 0.003 0.000 0.209 1071 N C 0.936 176.413 175.510 -0.054 0.000 1.033 1071 N CA 1.194 54.210 53.050 -0.057 0.000 1.021 1071 N CB 0.459 38.900 38.487 -0.077 0.000 1.244 1071 N HN 0.117 nan 8.380 nan 0.000 0.523 1072 G N -0.814 107.942 108.800 -0.073 0.000 4.882 1072 G HA2 0.123 4.085 3.960 0.003 0.000 0.210 1072 G HA3 0.123 4.085 3.960 0.003 0.000 0.210 1072 G C -1.163 173.692 174.900 -0.076 0.000 0.811 1072 G CA -0.453 44.612 45.100 -0.059 0.000 0.832 1072 G HN 0.155 nan 8.290 nan 0.000 0.467 1073 N N 0.566 119.192 118.700 -0.124 0.000 2.405 1073 N HA 0.660 5.402 4.740 0.003 0.000 0.299 1073 N C 0.025 175.452 175.510 -0.138 0.000 1.075 1073 N CA -0.687 52.265 53.050 -0.163 0.000 0.884 1073 N CB 1.424 39.708 38.487 -0.338 0.000 1.194 1073 N HN 0.082 nan 8.380 nan 0.000 0.491 1074 R N 0.414 120.859 120.500 -0.092 0.000 2.758 1074 R HA 0.534 4.875 4.340 0.003 0.000 0.265 1074 R C -0.658 175.607 176.300 -0.058 0.000 1.016 1074 R CA -0.727 55.335 56.100 -0.063 0.000 1.040 1074 R CB 1.363 31.641 30.300 -0.038 0.000 1.152 1074 R HN 0.416 nan 8.270 nan 0.000 0.503 1075 T N 2.100 116.616 114.554 -0.063 0.000 2.779 1075 T HA 0.425 4.777 4.350 0.003 0.000 0.280 1075 T C -0.186 174.332 174.700 -0.303 0.000 0.987 1075 T CA -0.567 61.441 62.100 -0.153 0.000 0.966 1075 T CB 0.835 69.586 68.868 -0.195 0.000 0.933 1075 T HN 0.224 nan 8.240 nan 0.000 0.442 1076 I N 3.030 123.385 120.570 -0.359 0.000 2.359 1076 I HA 0.319 4.490 4.170 0.003 0.000 0.294 1076 I C -0.701 175.038 176.117 -0.629 0.000 0.987 1076 I CA -0.647 60.390 61.300 -0.438 0.000 1.225 1076 I CB 0.707 38.441 38.000 -0.444 0.000 1.366 1076 I HN 0.589 nan 8.210 nan 0.000 0.466 1077 Y N 5.971 126.083 120.300 -0.314 0.000 2.434 1077 Y HA 0.450 5.001 4.550 0.003 0.000 0.341 1077 Y C -0.417 175.358 175.900 -0.209 0.000 0.965 1077 Y CA -0.303 57.684 58.100 -0.189 0.000 1.205 1077 Y CB 0.416 38.827 38.460 -0.081 0.000 1.121 1077 Y HN 0.428 nan 8.280 nan 0.000 0.507 1078 Y N 0.964 121.344 120.300 0.133 0.000 2.488 1078 Y HA 0.699 5.250 4.550 0.003 0.000 0.325 1078 Y C 0.118 176.071 175.900 0.088 0.000 1.204 1078 Y CA -1.375 56.779 58.100 0.089 0.000 1.229 1078 Y CB 1.770 40.260 38.460 0.051 0.000 1.274 1078 Y HN 0.493 nan 8.280 nan 0.000 0.493 1079 A N 3.105 126.105 122.820 0.299 0.000 2.893 1079 A HA 0.370 4.692 4.320 0.003 0.000 0.333 1079 A C -0.935 176.714 177.584 0.107 0.000 1.152 1079 A CA -0.515 51.621 52.037 0.165 0.000 0.782 1079 A CB -0.057 19.020 19.000 0.128 0.000 1.108 1079 A HN 0.790 nan 8.150 nan 0.000 0.469 1080 M N 2.127 121.774 119.600 0.079 0.000 2.094 1080 M HA 0.224 4.706 4.480 0.003 0.000 0.348 1080 M C -0.003 176.314 176.300 0.028 0.000 1.267 1080 M CA 0.232 55.544 55.300 0.020 0.000 1.125 1080 M CB -0.627 31.964 32.600 -0.015 0.000 1.527 1080 M HN 0.789 nan 8.290 nan 0.000 0.447 1081 N N 3.778 122.492 118.700 0.022 0.000 2.714 1081 N HA -0.199 4.542 4.740 0.003 0.000 0.253 1081 N C 0.539 176.069 175.510 0.034 0.000 1.024 1081 N CA 0.485 53.549 53.050 0.024 0.000 0.726 1081 N CB -1.163 37.333 38.487 0.016 0.000 0.908 1081 N HN 1.159 nan 8.380 nan 0.000 0.542 1082 G N -0.856 107.970 108.800 0.043 0.000 2.155 1082 G HA2 -0.355 3.606 3.960 0.003 0.000 0.257 1082 G HA3 -0.355 3.606 3.960 0.003 0.000 0.257 1082 G C -0.160 174.774 174.900 0.056 0.000 0.983 1082 G CA 0.732 45.860 45.100 0.047 0.000 0.676 1082 G HN 0.554 nan 8.290 nan 0.000 0.528 1083 Q N -0.704 119.135 119.800 0.064 0.000 2.375 1083 Q HA 0.671 5.013 4.340 0.003 0.000 0.271 1083 Q C -0.124 175.934 176.000 0.098 0.000 1.074 1083 Q CA -0.313 55.535 55.803 0.075 0.000 0.808 1083 Q CB 2.131 30.909 28.738 0.067 0.000 1.327 1083 Q HN 0.677 nan 8.270 nan 0.000 0.441 1084 A N 2.655 125.541 122.820 0.110 0.000 2.343 1084 A HA 0.465 4.787 4.320 0.003 0.000 0.305 1084 A C -0.391 177.279 177.584 0.144 0.000 1.308 1084 A CA -0.175 51.947 52.037 0.140 0.000 0.949 1084 A CB 0.023 19.107 19.000 0.140 0.000 1.148 1084 A HN 0.554 nan 8.150 nan 0.000 0.545 1085 R N 1.039 121.641 120.500 0.171 0.000 2.643 1085 R HA 0.712 5.054 4.340 0.003 0.000 0.272 1085 R C -0.365 176.021 176.300 0.143 0.000 0.995 1085 R CA -0.204 55.988 56.100 0.154 0.000 1.032 1085 R CB 1.248 31.642 30.300 0.157 0.000 1.126 1085 R HN 0.782 nan 8.270 nan 0.000 0.505 1086 R N 1.710 122.239 120.500 0.048 0.000 2.628 1086 R HA 0.516 4.857 4.340 0.003 0.000 0.288 1086 R C -0.809 175.455 176.300 -0.058 0.000 0.980 1086 R CA -0.735 55.306 56.100 -0.097 0.000 0.891 1086 R CB 1.561 31.751 30.300 -0.184 0.000 1.188 1086 R HN 0.333 nan 8.270 nan 0.000 0.450 1087 I N 2.138 122.684 120.570 -0.039 0.000 2.648 1087 I HA 0.340 4.511 4.170 0.003 0.000 0.304 1087 I C -0.519 175.672 176.117 0.124 0.000 1.009 1087 I CA -1.011 60.315 61.300 0.042 0.000 1.114 1087 I CB 1.167 39.261 38.000 0.157 0.000 1.293 1087 I HN 0.471 nan 8.210 nan 0.000 0.449 1088 Y N 4.767 125.054 120.300 -0.021 0.000 2.353 1088 Y HA 0.525 5.076 4.550 0.003 0.000 0.340 1088 Y C 0.122 176.021 175.900 -0.002 0.000 0.972 1088 Y CA -1.090 56.995 58.100 -0.025 0.000 1.157 1088 Y CB 1.219 39.673 38.460 -0.010 0.000 1.157 1088 Y HN 0.319 nan 8.280 nan 0.000 0.495 1089 I N 3.514 124.148 120.570 0.107 0.000 2.545 1089 I HA 0.265 4.436 4.170 0.003 0.000 0.292 1089 I C -0.501 175.622 176.117 0.011 0.000 1.040 1089 I CA -1.201 60.136 61.300 0.060 0.000 1.068 1089 I CB 2.073 40.101 38.000 0.047 0.000 1.251 1089 I HN 0.278 nan 8.210 nan 0.000 0.424 1090 K N 3.888 124.297 120.400 0.015 0.000 2.322 1090 K HA 0.155 4.477 4.320 0.003 0.000 0.283 1090 K C -0.781 175.815 176.600 -0.006 0.000 1.042 1090 K CA -0.029 56.255 56.287 -0.005 0.000 0.958 1090 K CB 0.491 32.994 32.500 0.005 0.000 0.984 1090 K HN 0.376 nan 8.250 nan 0.000 0.473 1091 D N 2.846 123.236 120.400 -0.016 0.000 2.168 1091 D HA 0.173 4.815 4.640 0.003 0.000 0.246 1091 D C -1.055 175.238 176.300 -0.011 0.000 1.050 1091 D CA -0.399 53.593 54.000 -0.014 0.000 0.857 1091 D CB 1.134 41.923 40.800 -0.018 0.000 1.169 1091 D HN 0.388 nan 8.370 nan 0.000 0.453 1092 E N 2.492 122.687 120.200 -0.008 0.000 2.373 1092 E HA 0.201 4.552 4.350 0.003 0.000 0.233 1092 E C -0.020 176.576 176.600 -0.006 0.000 1.035 1092 E CA -0.639 55.757 56.400 -0.007 0.000 0.930 1092 E CB 0.169 29.866 29.700 -0.005 0.000 1.278 1092 E HN 0.412 nan 8.360 nan 0.000 0.452 1093 N N 0.000 118.696 118.700 -0.007 0.000 1.763 1093 N HA 0.000 4.742 4.740 0.003 0.000 0.220 1093 N CA 0.000 53.047 53.050 -0.006 0.000 0.885 1093 N CB 0.000 38.483 38.487 -0.007 0.000 1.341 1093 N HN 0.000 nan 8.380 nan 0.000 0.667