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 1lnh_1_A DATA FIRST_RESID 9 DATA SEQUENCE GHKIKGTVVL MRKNVLDVNS VTSVXXXXXX XXXXXXXTLD TLTAFLGRSV DATA SEQUENCE SLQLISATKA DANGKGKLGK ATFLEGIITS LPTLGAGQSA FKINFEWDDG DATA SEQUENCE SGIPGAFYIK NFMQTEFFLV SLTLEDIPNH GSIHFVCNSW IYNAKLFKSD DATA SEQUENCE RIFFANQTYL PSETPAPLVK YREEELHNLR GDGTGERKEW ERIYDYDVYN DATA SEQUENCE DLGDPDKGEN HARPVLGGND TFPYPRRGRT GRKPTRKDPN SESRSNDVYL DATA SEQUENCE PRDEAFGHLK SSDFLTYGLK SVSQNVLPLL QSAFDLNFTP REFDSFDEVH DATA SEQUENCE GLYSGGIKLP TDIISKISPL PVLKEIFRTD GEQALKFPPP KVIQVSKSAW DATA SEQUENCE MTDEEFAREM LAGVNPNLIR CLKDFPPRSK LDSQVYGDHT SQITKEHLEP DATA SEQUENCE NLEGLTVDEA IQNKRLFLLD HHDPIMPYLR RINATSTKAY ATRTILFLKN DATA SEQUENCE DGTLRPLAIE LSLPHPQGDQ SGAFSQVFLP ADEGVESSIW LLAKAYVVVN DATA SEQUENCE DSCYHQLVSH WLNTHAVVEP FIIATNRHLS VVHPIYKLLH PHYRDTMNIN DATA SEQUENCE GLARLSLVND GGVIEQTFLW GRYSVEMSAV VYKDWVFTDQ ALPADLIKRG DATA SEQUENCE MAIEDPSCPH GIRLVIEDYP YTVDGLEIWD AIKTWVHEYV FLYYKSDDTL DATA SEQUENCE REDPELQACW KELVEVGHGD KKNEPWWPKM QTREELVEAC AIIIWTASAL DATA SEQUENCE HAAVNFGQYP YGGLILNRPT LSRRFMPEKG SAEYEELRKN PQKAYLKTIT DATA SEQUENCE PKFQTLIDLS VIEILSRHAS DEVYLGERDN PNWTSDTRAL EAFKRFGNKL DATA SEQUENCE AQIENKLSER NNDEKLRNRC GPVQMPYTLL LPSSKEGLTF RGIPNSISI 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.972 3.960 0.020 0.000 0.244 9 G C 0.000 175.019 174.900 0.199 0.000 0.946 9 G CA 0.000 45.159 45.100 0.099 0.000 0.502 10 H N -0.290 118.843 119.070 0.105 0.000 2.917 10 H HA 0.150 4.718 4.556 0.020 0.000 0.272 10 H C -1.416 174.002 175.328 0.150 0.000 1.228 10 H CA -0.531 55.590 56.048 0.123 0.000 1.614 10 H CB 1.257 31.113 29.762 0.156 0.000 1.959 10 H HN 0.471 nan 8.280 nan 0.000 0.500 11 K N 4.721 125.037 120.400 -0.139 0.000 2.234 11 K HA 0.395 4.727 4.320 0.020 0.000 0.277 11 K C 0.207 176.919 176.600 0.187 0.000 1.038 11 K CA -0.563 55.747 56.287 0.038 0.000 0.888 11 K CB 1.240 33.702 32.500 -0.064 0.000 1.091 11 K HN 0.269 nan 8.250 nan 0.000 0.467 12 I N 3.569 124.305 120.570 0.277 0.000 2.474 12 I HA 0.078 4.260 4.170 0.020 0.000 0.287 12 I C 0.359 176.552 176.117 0.126 0.000 1.048 12 I CA -0.307 61.138 61.300 0.240 0.000 1.383 12 I CB 0.768 38.841 38.000 0.122 0.000 1.412 12 I HN 0.334 nan 8.210 nan 0.000 0.531 13 K N 4.282 124.729 120.400 0.079 0.000 2.234 13 K HA 0.488 4.820 4.320 0.020 0.000 0.282 13 K C 0.109 176.704 176.600 -0.010 0.000 1.039 13 K CA -0.293 55.987 56.287 -0.012 0.000 0.928 13 K CB 1.409 33.904 32.500 -0.007 0.000 1.039 13 K HN 0.818 nan 8.250 nan 0.000 0.470 14 G N 0.386 109.130 108.800 -0.094 0.000 2.482 14 G HA2 0.426 4.398 3.960 0.020 0.000 0.317 14 G HA3 0.426 4.398 3.960 0.020 0.000 0.317 14 G C -1.195 173.636 174.900 -0.115 0.000 1.241 14 G CA -0.422 44.645 45.100 -0.056 0.000 0.967 14 G HN 0.400 nan 8.290 nan 0.000 0.482 15 T N -0.087 114.404 114.554 -0.104 0.000 2.847 15 T HA 0.461 4.823 4.350 0.020 0.000 0.291 15 T C -0.825 173.801 174.700 -0.123 0.000 0.998 15 T CA -0.437 61.601 62.100 -0.104 0.000 0.967 15 T CB 1.226 70.043 68.868 -0.086 0.000 0.954 15 T HN 0.366 nan 8.240 nan 0.000 0.441 16 V N 6.603 126.454 119.914 -0.106 0.000 2.385 16 V HA 0.422 4.554 4.120 0.020 0.000 0.269 16 V C 0.126 176.172 176.094 -0.081 0.000 1.043 16 V CA -0.360 61.870 62.300 -0.118 0.000 0.906 16 V CB 1.148 32.904 31.823 -0.112 0.000 0.995 16 V HN 0.830 nan 8.190 nan 0.000 0.467 17 V N 7.240 127.096 119.914 -0.097 0.000 2.532 17 V HA 0.635 4.767 4.120 0.020 0.000 0.295 17 V C -0.069 175.970 176.094 -0.093 0.000 1.041 17 V CA -0.505 61.748 62.300 -0.078 0.000 0.926 17 V CB 1.686 33.478 31.823 -0.052 0.000 0.992 17 V HN 0.745 nan 8.190 nan 0.000 0.457 18 L N 3.646 124.815 121.223 -0.089 0.000 2.502 18 L HA 0.765 5.117 4.340 0.020 0.000 0.253 18 L C -1.519 175.323 176.870 -0.046 0.000 1.070 18 L CA -0.756 54.020 54.840 -0.107 0.000 0.871 18 L CB 2.573 44.489 42.059 -0.239 0.000 1.487 18 L HN 0.641 nan 8.230 nan 0.000 0.408 19 M N 1.609 121.218 119.600 0.015 0.000 2.378 19 M HA 0.492 4.984 4.480 0.020 0.000 0.289 19 M C -1.139 175.224 176.300 0.106 0.000 1.136 19 M CA -0.522 54.816 55.300 0.063 0.000 0.917 19 M CB 2.752 35.429 32.600 0.129 0.000 1.669 19 M HN 0.538 nan 8.290 nan 0.000 0.461 20 R N 1.193 121.781 120.500 0.148 0.000 2.490 20 R HA 0.236 4.588 4.340 0.020 0.000 0.278 20 R C 1.060 177.528 176.300 0.280 0.000 1.069 20 R CA -0.392 55.876 56.100 0.280 0.000 1.080 20 R CB 0.995 31.468 30.300 0.288 0.000 1.030 20 R HN 0.617 nan 8.270 nan 0.000 0.491 21 K N 1.779 122.407 120.400 0.380 0.000 2.074 21 K HA -0.269 4.063 4.320 0.020 0.000 0.209 21 K C 0.955 177.745 176.600 0.316 0.000 1.048 21 K CA 1.662 58.231 56.287 0.470 0.000 0.926 21 K CB 0.009 32.741 32.500 0.387 0.000 0.713 21 K HN 0.522 nan 8.250 nan 0.000 0.444 22 N N 0.266 119.099 118.700 0.222 0.000 2.512 22 N HA -0.097 4.655 4.740 0.020 0.000 0.183 22 N C 1.435 177.036 175.510 0.152 0.000 1.073 22 N CA 0.485 53.629 53.050 0.157 0.000 0.911 22 N CB 0.279 38.842 38.487 0.126 0.000 0.964 22 N HN 0.037 nan 8.380 nan 0.000 0.447 23 V N 0.612 120.627 119.914 0.169 0.000 2.719 23 V HA -0.083 4.049 4.120 0.020 0.000 0.252 23 V C 1.641 177.836 176.094 0.168 0.000 1.065 23 V CA 1.014 63.399 62.300 0.142 0.000 1.086 23 V CB 0.098 31.992 31.823 0.118 0.000 0.700 23 V HN 0.181 nan 8.190 nan 0.000 0.467 24 L N -1.103 120.254 121.223 0.223 0.000 2.609 24 L HA 0.340 4.692 4.340 0.020 0.000 0.230 24 L C 0.547 177.634 176.870 0.361 0.000 1.087 24 L CA 0.511 55.512 54.840 0.268 0.000 0.874 24 L CB -0.052 42.190 42.059 0.304 0.000 1.114 24 L HN 0.208 nan 8.230 nan 0.000 0.488 25 D N -1.156 119.386 120.400 0.237 0.000 2.256 25 D HA 0.055 4.707 4.640 0.020 0.000 0.250 25 D C 1.268 177.448 176.300 -0.200 0.000 1.093 25 D CA 0.144 54.185 54.000 0.068 0.000 0.882 25 D CB 2.057 42.861 40.800 0.007 0.000 1.185 25 D HN -0.154 nan 8.370 nan 0.000 0.437 26 V N 4.423 123.897 119.914 -0.734 0.000 2.392 26 V HA -0.242 3.890 4.120 0.020 0.000 0.249 26 V C 1.360 177.077 176.094 -0.630 0.000 1.059 26 V CA 1.855 63.383 62.300 -1.286 0.000 1.051 26 V CB -0.407 30.305 31.823 -1.853 0.000 0.658 26 V HN 0.523 nan 8.190 nan 0.000 0.455 27 N N 0.507 118.971 118.700 -0.393 0.000 2.459 27 N HA -0.070 4.681 4.740 0.020 0.000 0.181 27 N C 1.865 177.307 175.510 -0.113 0.000 1.046 27 N CA 1.574 54.504 53.050 -0.200 0.000 0.904 27 N CB -0.043 38.373 38.487 -0.117 0.000 0.964 27 N HN 0.781 nan 8.380 nan 0.000 0.444 28 S N -0.950 114.695 115.700 -0.092 0.000 2.506 28 S HA 0.095 4.577 4.470 0.020 0.000 0.230 28 S C 1.749 176.342 174.600 -0.012 0.000 1.066 28 S CA -0.108 58.078 58.200 -0.022 0.000 0.940 28 S CB -0.403 62.811 63.200 0.023 0.000 0.818 28 S HN -0.053 nan 8.310 nan 0.000 0.518 29 V N 2.900 122.804 119.914 -0.017 0.000 3.284 29 V HA -0.096 4.035 4.120 0.020 0.000 0.273 29 V C 2.363 178.468 176.094 0.018 0.000 1.178 29 V CA 1.835 64.163 62.300 0.047 0.000 1.177 29 V CB -1.546 30.377 31.823 0.166 0.000 0.793 29 V HN 0.629 nan 8.190 nan 0.000 0.536 30 T N -1.172 113.360 114.554 -0.037 0.000 3.139 30 T HA -0.118 4.244 4.350 0.020 0.000 0.267 30 T C 1.958 176.666 174.700 0.014 0.000 1.164 30 T CA 1.530 63.617 62.100 -0.023 0.000 1.075 30 T CB -0.131 68.709 68.868 -0.048 0.000 0.904 30 T HN 0.534 nan 8.240 nan 0.000 0.540 31 S N -0.726 114.990 115.700 0.026 0.000 2.492 31 S HA 0.299 4.781 4.470 0.020 0.000 0.218 31 S C 0.578 175.203 174.600 0.042 0.000 1.016 31 S CA -0.182 58.038 58.200 0.033 0.000 0.916 31 S CB 0.522 63.742 63.200 0.033 0.000 0.791 31 S HN 0.213 nan 8.310 nan 0.000 0.513 47 L N 1.513 122.750 121.223 0.024 0.000 3.943 47 L HA -0.149 4.203 4.340 0.020 0.000 0.529 47 L C -1.131 175.772 176.870 0.055 0.000 1.173 47 L CA 0.682 55.545 54.840 0.038 0.000 0.737 47 L CB -0.847 41.234 42.059 0.037 0.000 1.321 47 L HN 0.684 nan 8.230 nan 0.000 0.794 48 D N 0.313 120.747 120.400 0.058 0.000 2.517 48 D HA 0.126 4.777 4.640 0.020 0.000 0.220 48 D C 1.647 178.015 176.300 0.113 0.000 1.158 48 D CA 0.665 54.716 54.000 0.084 0.000 0.992 48 D CB 0.730 41.571 40.800 0.069 0.000 1.058 48 D HN 0.534 nan 8.370 nan 0.000 0.516 49 T N -0.926 113.714 114.554 0.143 0.000 2.857 49 T HA -0.122 4.239 4.350 0.020 0.000 0.266 49 T C 2.042 176.929 174.700 0.313 0.000 1.048 49 T CA 0.347 62.560 62.100 0.188 0.000 1.139 49 T CB -0.169 68.822 68.868 0.204 0.000 0.874 49 T HN 0.288 nan 8.240 nan 0.000 0.455 50 L N 1.042 122.479 121.223 0.357 0.000 2.187 50 L HA -0.112 4.240 4.340 0.020 0.000 0.213 50 L C 2.932 180.127 176.870 0.543 0.000 1.100 50 L CA 1.366 56.538 54.840 0.552 0.000 0.765 50 L CB -1.668 40.578 42.059 0.312 0.000 0.904 50 L HN 0.322 nan 8.230 nan 0.000 0.437 51 T N 0.356 115.091 114.554 0.302 0.000 2.759 51 T HA -0.181 4.181 4.350 0.020 0.000 0.269 51 T C 2.080 176.881 174.700 0.168 0.000 1.042 51 T CA 1.414 63.640 62.100 0.210 0.000 1.140 51 T CB -0.149 68.793 68.868 0.123 0.000 0.864 51 T HN 0.510 nan 8.240 nan 0.000 0.455 52 A N 0.705 123.596 122.820 0.117 0.000 1.978 52 A HA -0.063 4.268 4.320 0.020 0.000 0.220 52 A C 1.856 179.367 177.584 -0.123 0.000 1.170 52 A CA 1.404 53.415 52.037 -0.044 0.000 0.636 52 A CB -1.001 17.903 19.000 -0.160 0.000 0.810 52 A HN 0.543 nan 8.150 nan 0.000 0.448 53 F N -0.874 119.027 119.950 -0.083 0.000 2.365 53 F HA -0.049 4.489 4.527 0.019 0.000 0.300 53 F C 1.580 177.267 175.800 -0.189 0.000 1.090 53 F CA 0.475 58.323 58.000 -0.253 0.000 1.408 53 F CB -0.179 38.390 39.000 -0.718 0.000 1.060 53 F HN 0.100 nan 8.300 nan 0.000 0.534 54 L N -0.403 120.873 121.223 0.088 0.000 2.552 54 L HA 0.135 4.487 4.340 0.020 0.000 0.227 54 L C 1.946 178.853 176.870 0.061 0.000 1.146 54 L CA 0.322 55.212 54.840 0.084 0.000 0.858 54 L CB -1.802 40.331 42.059 0.122 0.000 0.969 54 L HN 0.045 nan 8.230 nan 0.000 0.451 55 G N -0.567 108.258 108.800 0.042 0.000 2.711 55 G HA2 0.013 3.984 3.960 0.020 0.000 0.186 55 G HA3 0.013 3.984 3.960 0.020 0.000 0.186 55 G C 0.315 175.215 174.900 -0.001 0.000 1.635 55 G CA -0.518 44.584 45.100 0.003 0.000 1.065 55 G HN 0.171 nan 8.290 nan 0.000 0.545 56 R N 0.379 120.828 120.500 -0.085 0.000 3.956 56 R HA 0.317 4.669 4.340 0.020 0.000 0.237 56 R C 0.617 177.071 176.300 0.256 0.000 1.552 56 R CA -0.170 55.812 56.100 -0.196 0.000 1.529 56 R CB 0.474 30.453 30.300 -0.536 0.000 1.376 56 R HN 0.328 nan 8.270 nan 0.000 0.733 57 S N -0.597 115.375 115.700 0.452 0.000 2.591 57 S HA 0.125 4.607 4.470 0.020 0.000 0.235 57 S C 0.552 175.472 174.600 0.533 0.000 1.074 57 S CA 0.067 58.527 58.200 0.434 0.000 0.925 57 S CB 0.829 64.129 63.200 0.165 0.000 0.818 57 S HN 0.103 nan 8.310 nan 0.000 0.535 58 V N 3.065 123.205 119.914 0.377 0.000 2.531 58 V HA 0.660 4.791 4.120 0.020 0.000 0.301 58 V C -0.780 175.313 176.094 -0.001 0.000 1.034 58 V CA -0.683 61.724 62.300 0.178 0.000 0.865 58 V CB 1.671 33.543 31.823 0.081 0.000 0.995 58 V HN 0.450 nan 8.190 nan 0.000 0.424 59 S N 5.532 121.109 115.700 -0.205 0.000 2.532 59 S HA 0.894 5.376 4.470 0.020 0.000 0.299 59 S C -1.169 173.331 174.600 -0.167 0.000 1.105 59 S CA -0.699 57.215 58.200 -0.477 0.000 1.018 59 S CB 1.807 64.419 63.200 -0.980 0.000 1.021 59 S HN 0.339 nan 8.310 nan 0.000 0.483 60 L N 1.968 123.161 121.223 -0.049 0.000 2.322 60 L HA 0.729 5.081 4.340 0.020 0.000 0.269 60 L C -0.156 176.743 176.870 0.048 0.000 1.012 60 L CA -0.328 54.541 54.840 0.049 0.000 0.815 60 L CB 1.690 43.737 42.059 -0.021 0.000 1.295 60 L HN 0.940 nan 8.230 nan 0.000 0.438 61 Q N 1.164 120.968 119.800 0.006 0.000 2.280 61 Q HA 0.505 4.857 4.340 0.020 0.000 0.259 61 Q C -1.800 174.124 176.000 -0.126 0.000 0.964 61 Q CA -0.690 55.105 55.803 -0.014 0.000 0.844 61 Q CB 1.558 30.375 28.738 0.132 0.000 1.334 61 Q HN 0.397 nan 8.270 nan 0.000 0.423 62 L N 3.817 124.866 121.223 -0.289 0.000 2.436 62 L HA 0.469 4.821 4.340 0.020 0.000 0.265 62 L C -0.262 176.545 176.870 -0.106 0.000 1.168 62 L CA 0.297 54.904 54.840 -0.389 0.000 0.815 62 L CB 0.955 42.525 42.059 -0.815 0.000 1.109 62 L HN 0.650 nan 8.230 nan 0.000 0.462 63 I N 0.824 121.309 120.570 -0.142 0.000 2.533 63 I HA 0.276 4.458 4.170 0.020 0.000 0.290 63 I C -0.233 175.916 176.117 0.053 0.000 1.056 63 I CA -0.510 60.729 61.300 -0.103 0.000 1.057 63 I CB 1.987 39.702 38.000 -0.475 0.000 1.240 63 I HN 0.515 nan 8.210 nan 0.000 0.423 64 S N 3.729 119.547 115.700 0.196 0.000 2.592 64 S HA 0.370 4.851 4.470 0.020 0.000 0.271 64 S C 0.743 175.414 174.600 0.118 0.000 1.326 64 S CA -0.546 57.788 58.200 0.224 0.000 1.024 64 S CB 1.560 64.880 63.200 0.199 0.000 0.921 64 S HN 0.774 nan 8.310 nan 0.000 0.527 65 A N 1.500 124.385 122.820 0.109 0.000 2.545 65 A HA 0.402 4.734 4.320 0.020 0.000 0.277 65 A C 1.016 178.636 177.584 0.059 0.000 1.301 65 A CA -0.180 51.902 52.037 0.074 0.000 0.935 65 A CB -0.374 18.667 19.000 0.069 0.000 1.093 65 A HN 0.761 nan 8.150 nan 0.000 0.519 66 T N -1.524 113.074 114.554 0.074 0.000 3.464 66 T HA 0.206 4.567 4.350 0.020 0.000 0.222 66 T C 0.083 174.808 174.700 0.043 0.000 0.982 66 T CA -0.113 62.019 62.100 0.053 0.000 1.132 66 T CB -0.057 68.848 68.868 0.061 0.000 1.226 66 T HN 0.132 nan 8.240 nan 0.000 0.346 67 K N 2.282 122.704 120.400 0.036 0.000 2.339 67 K HA 0.694 5.026 4.320 0.020 0.000 0.286 67 K C -0.622 176.000 176.600 0.036 0.000 1.050 67 K CA -0.053 56.243 56.287 0.015 0.000 0.956 67 K CB 0.780 33.264 32.500 -0.027 0.000 0.990 67 K HN 0.515 nan 8.250 nan 0.000 0.475 68 A N 3.706 126.545 122.820 0.032 0.000 2.276 68 A HA 0.261 4.593 4.320 0.020 0.000 0.316 68 A C -0.558 177.047 177.584 0.035 0.000 1.229 68 A CA -0.886 51.178 52.037 0.045 0.000 0.851 68 A CB 0.225 19.246 19.000 0.036 0.000 1.165 68 A HN 0.817 nan 8.150 nan 0.000 0.513 69 D N 2.374 122.803 120.400 0.049 0.000 2.358 69 D HA 0.394 5.045 4.640 0.020 0.000 0.244 69 D C 1.293 177.608 176.300 0.025 0.000 1.163 69 D CA 0.258 54.280 54.000 0.038 0.000 0.945 69 D CB 0.943 41.776 40.800 0.055 0.000 1.152 69 D HN 0.741 nan 8.370 nan 0.000 0.451 70 A N 2.415 125.246 122.820 0.018 0.000 1.670 70 A HA -0.356 3.976 4.320 0.020 0.000 0.312 70 A C 1.301 178.889 177.584 0.006 0.000 3.495 70 A CA 2.408 54.452 52.037 0.011 0.000 0.917 70 A CB -1.223 17.784 19.000 0.011 0.000 0.783 70 A HN 0.794 nan 8.150 nan 0.000 0.530 71 N N -0.584 118.118 118.700 0.003 0.000 2.914 71 N HA 0.381 5.132 4.740 0.020 0.000 0.304 71 N C 0.986 176.491 175.510 -0.008 0.000 1.727 71 N CA 1.062 54.109 53.050 -0.005 0.000 0.986 71 N CB 0.273 38.753 38.487 -0.012 0.000 1.297 71 N HN 1.060 nan 8.380 nan 0.000 0.490 72 G N 1.427 110.229 108.800 0.004 0.000 2.623 72 G HA2 -0.346 3.626 3.960 0.020 0.000 0.241 72 G HA3 -0.346 3.626 3.960 0.020 0.000 0.241 72 G C 0.600 175.518 174.900 0.031 0.000 1.114 72 G CA 0.142 45.250 45.100 0.013 0.000 0.682 72 G HN 0.471 nan 8.290 nan 0.000 0.524 73 K N 2.558 122.960 120.400 0.003 0.000 1.964 73 K HA 0.307 4.639 4.320 0.020 0.000 0.206 73 K C 1.612 178.334 176.600 0.203 0.000 1.151 73 K CA 0.779 57.056 56.287 -0.017 0.000 1.269 73 K CB -1.115 31.295 32.500 -0.150 0.000 1.112 73 K HN 1.343 nan 8.250 nan 0.000 0.231 74 G N 1.800 110.797 108.800 0.329 0.000 2.622 74 G HA2 -0.320 3.652 3.960 0.020 0.000 0.272 74 G HA3 -0.320 3.652 3.960 0.020 0.000 0.272 74 G C -0.529 174.508 174.900 0.229 0.000 1.308 74 G CA -0.118 45.199 45.100 0.362 0.000 0.919 74 G HN 0.519 nan 8.290 nan 0.000 0.565 75 K N -1.206 119.306 120.400 0.186 0.000 2.582 75 K HA 0.390 4.721 4.320 0.020 0.000 0.259 75 K C -1.482 175.214 176.600 0.159 0.000 0.973 75 K CA -0.830 55.539 56.287 0.136 0.000 0.880 75 K CB 0.862 33.397 32.500 0.059 0.000 1.310 75 K HN 0.411 nan 8.250 nan 0.000 0.443 76 L N 3.026 124.351 121.223 0.170 0.000 2.270 76 L HA 0.344 4.696 4.340 0.020 0.000 0.286 76 L C 0.858 177.855 176.870 0.213 0.000 1.059 76 L CA -0.112 54.846 54.840 0.197 0.000 0.839 76 L CB 1.156 43.351 42.059 0.227 0.000 1.221 76 L HN 0.675 nan 8.230 nan 0.000 0.431 77 G N 3.432 112.440 108.800 0.347 0.000 2.346 77 G HA2 0.133 4.104 3.960 0.020 0.000 0.275 77 G HA3 0.133 4.104 3.960 0.020 0.000 0.275 77 G C 0.101 175.164 174.900 0.272 0.000 1.190 77 G CA -0.652 44.690 45.100 0.403 0.000 1.015 77 G HN 0.433 nan 8.290 nan 0.000 0.441 78 K N 0.903 121.433 120.400 0.217 0.000 2.390 78 K HA -0.169 4.163 4.320 0.020 0.000 0.243 78 K C 0.875 177.594 176.600 0.199 0.000 1.048 78 K CA 0.840 57.241 56.287 0.190 0.000 1.130 78 K CB -0.684 31.925 32.500 0.181 0.000 0.719 78 K HN 0.804 nan 8.250 nan 0.000 0.467 79 A N 4.171 127.093 122.820 0.170 0.000 2.548 79 A HA 0.209 4.541 4.320 0.020 0.000 0.247 79 A C 0.205 177.883 177.584 0.157 0.000 1.067 79 A CA 0.310 52.422 52.037 0.126 0.000 0.757 79 A CB -0.035 19.019 19.000 0.090 0.000 0.996 79 A HN 0.557 nan 8.150 nan 0.000 0.504 80 T N 3.069 117.701 114.554 0.130 0.000 2.829 80 T HA 0.589 4.951 4.350 0.020 0.000 0.280 80 T C -0.393 174.304 174.700 -0.006 0.000 0.999 80 T CA -0.094 62.106 62.100 0.167 0.000 0.983 80 T CB 0.665 69.656 68.868 0.206 0.000 0.968 80 T HN 0.355 nan 8.240 nan 0.000 0.446 81 F N 1.204 121.190 119.950 0.060 0.000 2.380 81 F HA 0.528 5.067 4.527 0.019 0.000 0.319 81 F C 0.318 176.103 175.800 -0.026 0.000 1.113 81 F CA -1.279 56.751 58.000 0.049 0.000 1.056 81 F CB 0.546 39.578 39.000 0.053 0.000 1.289 81 F HN 0.254 nan 8.300 nan 0.000 0.515 82 L N 2.147 123.446 121.223 0.127 0.000 2.278 82 L HA 0.278 4.629 4.340 0.020 0.000 0.287 82 L C -0.505 176.395 176.870 0.051 0.000 1.072 82 L CA -0.037 54.806 54.840 0.005 0.000 0.819 82 L CB 0.136 42.128 42.059 -0.111 0.000 1.176 82 L HN 0.461 nan 8.230 nan 0.000 0.435 83 E N 4.042 124.267 120.200 0.040 0.000 2.191 83 E HA 0.675 5.037 4.350 0.020 0.000 0.263 83 E C -0.375 176.269 176.600 0.074 0.000 0.881 83 E CA -0.245 56.192 56.400 0.061 0.000 0.757 83 E CB 1.246 30.959 29.700 0.022 0.000 1.147 83 E HN 0.750 nan 8.360 nan 0.000 0.414 84 G N 3.893 112.766 108.800 0.121 0.000 3.019 84 G HA2 -0.153 3.819 3.960 0.020 0.000 0.686 84 G HA3 -0.153 3.819 3.960 0.020 0.000 0.686 84 G C -0.544 174.395 174.900 0.066 0.000 1.056 84 G CA -0.354 44.789 45.100 0.071 0.000 0.774 84 G HN 0.543 nan 8.290 nan 0.000 0.583 85 I N 2.306 122.849 120.570 -0.044 0.000 2.396 85 I HA 0.412 4.594 4.170 0.020 0.000 0.292 85 I C 0.953 176.917 176.117 -0.255 0.000 0.999 85 I CA -0.656 60.454 61.300 -0.317 0.000 1.310 85 I CB 1.210 39.056 38.000 -0.258 0.000 1.404 85 I HN 0.365 nan 8.210 nan 0.000 0.496 86 I N 5.707 126.074 120.570 -0.339 0.000 2.307 86 I HA 0.142 4.324 4.170 0.020 0.000 0.289 86 I C 1.158 177.140 176.117 -0.225 0.000 1.021 86 I CA -0.241 60.929 61.300 -0.216 0.000 1.224 86 I CB 1.335 39.224 38.000 -0.184 0.000 1.376 86 I HN 0.685 nan 8.210 nan 0.000 0.470 87 T N 2.095 116.553 114.554 -0.159 0.000 2.803 87 T HA -0.148 4.213 4.350 0.020 0.000 0.269 87 T C 1.522 176.158 174.700 -0.107 0.000 1.052 87 T CA 1.734 63.758 62.100 -0.127 0.000 1.136 87 T CB 0.109 68.925 68.868 -0.087 0.000 0.864 87 T HN 0.665 nan 8.240 nan 0.000 0.467 88 S N -1.600 114.043 115.700 -0.094 0.000 4.193 88 S HA 0.364 4.845 4.470 0.020 0.000 0.211 88 S C -1.276 173.286 174.600 -0.062 0.000 1.162 88 S CA -0.392 57.766 58.200 -0.071 0.000 1.039 88 S CB 0.028 63.197 63.200 -0.051 0.000 1.371 88 S HN 0.160 nan 8.310 nan 0.000 0.550 89 L N 2.541 123.733 121.223 -0.053 0.000 1.435 89 L HA -0.083 4.269 4.340 0.020 0.000 0.394 89 L C -1.938 174.917 176.870 -0.024 0.000 1.004 89 L CA 0.491 55.308 54.840 -0.038 0.000 1.225 89 L CB -1.409 40.626 42.059 -0.041 0.000 0.571 89 L HN 0.313 nan 8.230 nan 0.000 0.324 90 P HA -0.117 nan 4.420 nan 0.000 0.227 90 P C 1.021 178.320 177.300 -0.001 0.000 1.145 90 P CA 1.604 64.700 63.100 -0.007 0.000 0.769 90 P CB 0.374 32.073 31.700 -0.002 0.000 0.769 91 T N -1.437 113.117 114.554 0.001 0.000 3.091 91 T HA 0.260 4.622 4.350 0.020 0.000 0.277 91 T C 1.364 176.069 174.700 0.008 0.000 0.996 91 T CA -0.347 61.760 62.100 0.012 0.000 0.897 91 T CB -0.270 68.612 68.868 0.024 0.000 1.109 91 T HN -0.072 nan 8.240 nan 0.000 0.534 92 L N 1.005 122.222 121.223 -0.009 0.000 2.127 92 L HA 0.124 4.476 4.340 0.020 0.000 0.211 92 L C 1.578 178.446 176.870 -0.003 0.000 1.089 92 L CA 1.190 56.020 54.840 -0.016 0.000 0.757 92 L CB -0.796 41.238 42.059 -0.042 0.000 0.899 92 L HN 0.562 nan 8.230 nan 0.000 0.434 93 G N -1.025 107.777 108.800 0.004 0.000 2.796 93 G HA2 -0.176 3.796 3.960 0.020 0.000 0.226 93 G HA3 -0.176 3.796 3.960 0.020 0.000 0.226 93 G C -0.301 174.607 174.900 0.013 0.000 1.381 93 G CA -0.388 44.721 45.100 0.016 0.000 0.867 93 G HN 0.580 nan 8.290 nan 0.000 0.552 94 A N -0.511 122.323 122.820 0.025 0.000 2.290 94 A HA 0.832 5.163 4.320 0.020 0.000 0.310 94 A C 1.683 179.287 177.584 0.034 0.000 1.202 94 A CA 1.361 53.414 52.037 0.027 0.000 0.837 94 A CB 0.676 19.695 19.000 0.033 0.000 1.139 94 A HN 2.941 nan 8.150 nan 0.000 0.509 95 G N 1.241 110.059 108.800 0.030 0.000 2.155 95 G HA2 -0.215 3.757 3.960 0.020 0.000 0.257 95 G HA3 -0.215 3.757 3.960 0.020 0.000 0.257 95 G C 0.060 174.978 174.900 0.030 0.000 0.983 95 G CA 0.678 45.802 45.100 0.039 0.000 0.676 95 G HN 0.920 nan 8.290 nan 0.000 0.528 96 Q N 0.058 119.863 119.800 0.008 0.000 2.282 96 Q HA 0.637 4.989 4.340 0.020 0.000 0.260 96 Q C -0.673 175.286 176.000 -0.069 0.000 0.964 96 Q CA -0.395 55.399 55.803 -0.014 0.000 0.880 96 Q CB 1.987 30.724 28.738 -0.003 0.000 1.286 96 Q HN 0.217 nan 8.270 nan 0.000 0.445 97 S N 1.014 116.645 115.700 -0.114 0.000 2.473 97 S HA 0.699 5.181 4.470 0.020 0.000 0.307 97 S C -0.876 173.546 174.600 -0.296 0.000 1.094 97 S CA -0.741 57.319 58.200 -0.233 0.000 1.070 97 S CB 1.643 64.709 63.200 -0.224 0.000 1.019 97 S HN 0.685 nan 8.310 nan 0.000 0.480 98 A N 2.558 125.131 122.820 -0.412 0.000 2.325 98 A HA 0.912 5.244 4.320 0.020 0.000 0.333 98 A C -1.132 176.048 177.584 -0.673 0.000 1.155 98 A CA -0.508 51.322 52.037 -0.344 0.000 0.814 98 A CB 0.458 19.324 19.000 -0.223 0.000 1.206 98 A HN 0.653 nan 8.150 nan 0.000 0.482 99 F N 0.351 120.186 119.950 -0.192 0.000 2.577 99 F HA 0.487 5.025 4.527 0.019 0.000 0.318 99 F C 0.390 176.095 175.800 -0.159 0.000 1.065 99 F CA -0.541 57.354 58.000 -0.174 0.000 0.929 99 F CB 2.469 41.347 39.000 -0.204 0.000 1.237 99 F HN 0.578 nan 8.300 nan 0.000 0.468 100 K N 2.540 122.952 120.400 0.020 0.000 2.138 100 K HA 0.809 5.141 4.320 0.020 0.000 0.263 100 K C -1.322 175.210 176.600 -0.113 0.000 0.965 100 K CA -0.715 55.533 56.287 -0.065 0.000 0.868 100 K CB 2.799 35.253 32.500 -0.076 0.000 1.083 100 K HN 0.740 nan 8.250 nan 0.000 0.443 101 I N 1.885 122.307 120.570 -0.246 0.000 2.586 101 I HA 0.227 4.409 4.170 0.020 0.000 0.288 101 I C -1.939 173.762 176.117 -0.693 0.000 1.147 101 I CA -0.786 60.245 61.300 -0.448 0.000 1.047 101 I CB 1.937 39.641 38.000 -0.493 0.000 1.244 101 I HN 0.633 nan 8.210 nan 0.000 0.429 102 N N 7.258 125.633 118.700 -0.543 0.000 2.457 102 N HA 0.454 5.206 4.740 0.020 0.000 0.250 102 N C -1.379 173.881 175.510 -0.417 0.000 0.982 102 N CA -0.077 52.736 53.050 -0.395 0.000 0.941 102 N CB 0.791 39.171 38.487 -0.179 0.000 1.120 102 N HN 0.289 nan 8.380 nan 0.000 0.505 103 F N 0.503 120.436 119.950 -0.029 0.000 2.385 103 F HA 0.292 4.830 4.527 0.019 0.000 0.336 103 F C 1.176 177.032 175.800 0.094 0.000 1.100 103 F CA -0.780 57.222 58.000 0.004 0.000 1.116 103 F CB 0.797 39.747 39.000 -0.084 0.000 1.166 103 F HN 0.239 nan 8.300 nan 0.000 0.511 104 E N 2.819 123.203 120.200 0.307 0.000 2.344 104 E HA 0.147 4.508 4.350 0.020 0.000 0.270 104 E C -1.011 175.869 176.600 0.467 0.000 1.021 104 E CA 0.217 56.790 56.400 0.288 0.000 0.887 104 E CB 0.619 30.439 29.700 0.199 0.000 0.997 104 E HN 0.559 nan 8.360 nan 0.000 0.429 105 W N 2.666 124.042 121.300 0.128 0.000 3.066 105 W HA 0.256 4.928 4.660 0.020 0.000 0.330 105 W C -1.642 174.943 176.519 0.111 0.000 1.253 105 W CA -0.586 56.824 57.345 0.108 0.000 1.187 105 W CB 1.877 31.404 29.460 0.111 0.000 1.434 105 W HN 0.622 nan 8.180 nan 0.000 0.572 106 D N 0.703 121.005 120.400 -0.164 0.000 2.653 106 D HA 0.130 4.781 4.640 0.020 0.000 0.258 106 D C -1.528 174.666 176.300 -0.176 0.000 1.252 106 D CA -0.537 53.421 54.000 -0.070 0.000 0.777 106 D CB 0.933 41.693 40.800 -0.066 0.000 1.339 106 D HN 0.031 nan 8.370 nan 0.000 0.422 107 D N -0.655 119.713 120.400 -0.052 0.000 2.450 107 D HA 0.441 5.093 4.640 0.020 0.000 0.247 107 D C 1.407 177.643 176.300 -0.106 0.000 1.162 107 D CA 1.891 55.860 54.000 -0.052 0.000 0.879 107 D CB 0.659 41.454 40.800 -0.008 0.000 1.163 107 D HN 0.765 nan 8.370 nan 0.000 0.472 108 G N 0.987 109.709 108.800 -0.131 0.000 2.545 108 G HA2 -0.240 3.731 3.960 0.020 0.000 0.195 108 G HA3 -0.240 3.731 3.960 0.020 0.000 0.195 108 G C 1.295 176.058 174.900 -0.228 0.000 1.009 108 G CA 0.203 45.217 45.100 -0.145 0.000 0.703 108 G HN 0.439 nan 8.290 nan 0.000 0.479 109 S N 0.075 115.526 115.700 -0.414 0.000 2.475 109 S HA 0.478 4.960 4.470 0.020 0.000 0.224 109 S C 1.764 176.229 174.600 -0.224 0.000 1.042 109 S CA 1.686 59.537 58.200 -0.582 0.000 0.935 109 S CB 0.436 62.701 63.200 -1.558 0.000 0.801 109 S HN 2.203 nan 8.310 nan 0.000 0.509 110 G N 1.708 110.451 108.800 -0.096 0.000 2.520 110 G HA2 -0.219 3.752 3.960 0.020 0.000 0.248 110 G HA3 -0.219 3.752 3.960 0.020 0.000 0.248 110 G C -0.505 174.595 174.900 0.334 0.000 1.161 110 G CA -0.262 44.903 45.100 0.108 0.000 0.946 110 G HN 0.364 nan 8.290 nan 0.000 0.565 111 I N 2.617 123.331 120.570 0.241 0.000 2.354 111 I HA 0.388 4.570 4.170 0.020 0.000 0.292 111 I C -2.314 173.886 176.117 0.137 0.000 0.989 111 I CA -2.044 59.334 61.300 0.131 0.000 1.188 111 I CB 2.178 40.157 38.000 -0.036 0.000 1.342 111 I HN 0.137 nan 8.210 nan 0.000 0.457 112 P HA 0.061 nan 4.420 nan 0.000 0.267 112 P C 0.604 177.918 177.300 0.023 0.000 1.209 112 P CA 0.204 63.232 63.100 -0.120 0.000 0.763 112 P CB 0.739 32.182 31.700 -0.428 0.000 0.816 113 G N 1.509 110.357 108.800 0.079 0.000 3.274 113 G HA2 0.534 4.506 3.960 0.020 0.000 0.250 113 G HA3 0.534 4.506 3.960 0.020 0.000 0.250 113 G C 0.101 175.132 174.900 0.220 0.000 1.024 113 G CA 0.514 45.689 45.100 0.126 0.000 0.840 113 G HN 0.742 nan 8.290 nan 0.000 0.522 114 A N -0.310 122.634 122.820 0.206 0.000 2.506 114 A HA 0.869 5.201 4.320 0.020 0.000 0.305 114 A C -1.836 175.771 177.584 0.039 0.000 1.166 114 A CA -0.605 51.512 52.037 0.133 0.000 0.638 114 A CB 0.793 19.596 19.000 -0.330 0.000 1.336 114 A HN 1.257 nan 8.150 nan 0.000 0.493 115 F N -2.487 117.220 119.950 -0.404 0.000 2.704 115 F HA 0.703 5.242 4.527 0.019 0.000 0.312 115 F C -2.055 173.534 175.800 -0.351 0.000 1.108 115 F CA -1.046 56.689 58.000 -0.441 0.000 1.005 115 F CB 0.305 39.000 39.000 -0.509 0.000 1.277 115 F HN 0.561 nan 8.300 nan 0.000 0.445 116 Y N 3.660 123.950 120.300 -0.018 0.000 2.307 116 Y HA 0.708 5.269 4.550 0.019 0.000 0.324 116 Y C 0.052 175.995 175.900 0.072 0.000 1.238 116 Y CA -1.277 56.768 58.100 -0.092 0.000 1.280 116 Y CB 1.546 39.967 38.460 -0.066 0.000 1.248 116 Y HN 0.824 nan 8.280 nan 0.000 0.508 117 I N 2.371 123.047 120.570 0.176 0.000 2.686 117 I HA 0.453 4.635 4.170 0.020 0.000 0.295 117 I C -1.648 174.448 176.117 -0.034 0.000 1.114 117 I CA -0.783 60.620 61.300 0.172 0.000 1.038 117 I CB 1.553 39.763 38.000 0.350 0.000 1.238 117 I HN 0.534 nan 8.210 nan 0.000 0.420 118 K N 5.081 125.391 120.400 -0.150 0.000 2.426 118 K HA 0.344 4.676 4.320 0.020 0.000 0.254 118 K C -1.247 175.051 176.600 -0.504 0.000 0.936 118 K CA -0.890 55.147 56.287 -0.416 0.000 0.801 118 K CB 1.800 33.915 32.500 -0.641 0.000 1.139 118 K HN 0.460 nan 8.250 nan 0.000 0.424 119 N N 2.437 120.897 118.700 -0.401 0.000 2.419 119 N HA 0.245 4.996 4.740 0.020 0.000 0.277 119 N C -0.597 174.739 175.510 -0.290 0.000 1.006 119 N CA -0.493 52.437 53.050 -0.201 0.000 0.923 119 N CB 0.473 38.835 38.487 -0.207 0.000 1.140 119 N HN 0.420 nan 8.380 nan 0.000 0.488 120 F N 1.705 121.731 119.950 0.128 0.000 2.704 120 F HA 0.298 4.837 4.527 0.020 0.000 0.304 120 F C 1.816 177.647 175.800 0.052 0.000 1.094 120 F CA 0.026 58.079 58.000 0.089 0.000 1.275 120 F CB -0.055 39.017 39.000 0.118 0.000 1.073 120 F HN 0.443 nan 8.300 nan 0.000 0.586 121 M N -0.367 119.343 119.600 0.182 0.000 2.539 121 M HA -0.203 4.288 4.480 0.020 0.000 0.261 121 M C 0.935 177.254 176.300 0.032 0.000 1.069 121 M CA 1.152 56.492 55.300 0.066 0.000 1.081 121 M CB -0.516 32.071 32.600 -0.023 0.000 1.412 121 M HN 0.230 nan 8.290 nan 0.000 0.482 122 Q N 0.695 120.518 119.800 0.037 0.000 2.480 122 Q HA -0.165 4.186 4.340 0.020 0.000 0.265 122 Q C -0.979 175.013 176.000 -0.013 0.000 1.072 122 Q CA 0.875 56.682 55.803 0.007 0.000 1.018 122 Q CB -0.939 27.808 28.738 0.015 0.000 1.433 122 Q HN 0.396 nan 8.270 nan 0.000 0.513 123 T N 0.696 115.239 114.554 -0.018 0.000 3.109 123 T HA 0.218 4.579 4.350 0.020 0.000 0.311 123 T C -1.019 173.671 174.700 -0.017 0.000 1.011 123 T CA -0.664 61.430 62.100 -0.010 0.000 1.026 123 T CB 1.192 70.076 68.868 0.027 0.000 1.047 123 T HN 0.332 nan 8.240 nan 0.000 0.448 124 E N 3.586 123.700 120.200 -0.144 0.000 2.390 124 E HA 0.414 4.775 4.350 0.020 0.000 0.261 124 E C -0.846 175.859 176.600 0.176 0.000 1.076 124 E CA -0.284 55.983 56.400 -0.223 0.000 0.905 124 E CB 0.620 29.951 29.700 -0.615 0.000 0.984 124 E HN 0.488 nan 8.360 nan 0.000 0.427 125 F N -1.044 119.047 119.950 0.236 0.000 2.613 125 F HA 0.548 5.086 4.527 0.019 0.000 0.314 125 F C -1.086 174.661 175.800 -0.088 0.000 1.075 125 F CA -2.081 56.013 58.000 0.156 0.000 0.945 125 F CB 0.757 39.891 39.000 0.222 0.000 1.310 125 F HN 0.293 nan 8.300 nan 0.000 0.467 126 F N 3.879 123.557 119.950 -0.454 0.000 2.423 126 F HA 0.478 5.018 4.527 0.022 0.000 0.356 126 F C -0.382 175.284 175.800 -0.223 0.000 1.170 126 F CA -1.187 56.333 58.000 -0.801 0.000 1.163 126 F CB 0.330 38.646 39.000 -1.139 0.000 1.318 126 F HN 0.544 nan 8.300 nan 0.000 0.569 127 L N 7.140 128.132 121.223 -0.385 0.000 2.477 127 L HA 0.121 4.473 4.340 0.020 0.000 0.272 127 L C 0.322 176.830 176.870 -0.604 0.000 1.157 127 L CA 0.439 55.089 54.840 -0.316 0.000 0.889 127 L CB 0.722 42.628 42.059 -0.256 0.000 1.158 127 L HN 0.595 nan 8.230 nan 0.000 0.473 128 V N 2.952 122.646 119.914 -0.367 0.000 2.341 128 V HA 0.194 4.325 4.120 0.020 0.000 0.240 128 V C 0.864 176.871 176.094 -0.145 0.000 1.035 128 V CA 1.272 63.413 62.300 -0.264 0.000 1.033 128 V CB -0.176 31.607 31.823 -0.068 0.000 0.678 128 V HN 0.941 nan 8.190 nan 0.000 0.464 129 S N -0.862 114.781 115.700 -0.095 0.000 2.643 129 S HA 0.731 5.213 4.470 0.020 0.000 0.270 129 S C -1.543 172.989 174.600 -0.114 0.000 1.166 129 S CA -0.660 57.523 58.200 -0.029 0.000 0.815 129 S CB 2.363 65.623 63.200 0.101 0.000 1.139 129 S HN 0.257 nan 8.310 nan 0.000 0.472 130 L N 0.643 121.780 121.223 -0.142 0.000 2.470 130 L HA 0.770 5.121 4.340 0.020 0.000 0.268 130 L C -1.252 175.475 176.870 -0.238 0.000 0.964 130 L CA 0.231 54.912 54.840 -0.266 0.000 0.839 130 L CB 2.073 43.783 42.059 -0.581 0.000 1.276 130 L HN 0.937 nan 8.230 nan 0.000 0.403 131 T N 5.904 120.317 114.554 -0.235 0.000 2.807 131 T HA 0.641 5.003 4.350 0.020 0.000 0.279 131 T C -0.573 174.093 174.700 -0.058 0.000 0.993 131 T CA -0.329 61.676 62.100 -0.159 0.000 0.970 131 T CB 1.098 69.858 68.868 -0.182 0.000 0.950 131 T HN 0.457 nan 8.240 nan 0.000 0.441 132 L N 3.153 124.385 121.223 0.016 0.000 2.296 132 L HA 0.488 4.839 4.340 0.020 0.000 0.286 132 L C 0.310 177.198 176.870 0.030 0.000 1.023 132 L CA -0.734 54.114 54.840 0.014 0.000 0.812 132 L CB 1.436 43.488 42.059 -0.012 0.000 1.223 132 L HN 0.573 nan 8.230 nan 0.000 0.421 133 E N 2.232 122.451 120.200 0.033 0.000 2.055 133 E HA 0.163 4.525 4.350 0.020 0.000 0.274 133 E C -0.789 175.841 176.600 0.051 0.000 0.949 133 E CA -0.470 55.957 56.400 0.045 0.000 0.775 133 E CB 1.883 31.607 29.700 0.039 0.000 1.097 133 E HN 0.490 nan 8.360 nan 0.000 0.404 134 D N 2.175 122.601 120.400 0.043 0.000 2.045 134 D HA 0.182 4.834 4.640 0.020 0.000 0.280 134 D C 0.824 177.084 176.300 -0.067 0.000 1.117 134 D CA 0.172 54.176 54.000 0.006 0.000 1.001 134 D CB 0.540 41.354 40.800 0.022 0.000 1.159 134 D HN 0.461 nan 8.370 nan 0.000 0.477 135 I N -2.306 118.201 120.570 -0.104 0.000 3.910 135 I HA 0.207 4.389 4.170 0.020 0.000 0.272 135 I C -1.724 174.333 176.117 -0.101 0.000 1.091 135 I CA -0.432 60.699 61.300 -0.282 0.000 1.350 135 I CB -0.496 37.316 38.000 -0.314 0.000 1.844 135 I HN 0.189 nan 8.210 nan 0.000 0.399 136 P HA 0.088 nan 4.420 nan 0.000 0.285 136 P C -0.594 176.751 177.300 0.074 0.000 1.282 136 P CA -0.091 63.041 63.100 0.054 0.000 0.778 136 P CB 0.112 31.870 31.700 0.098 0.000 1.222 137 N N 1.469 120.209 118.700 0.067 0.000 2.498 137 N HA -0.011 4.741 4.740 0.020 0.000 0.277 137 N C -0.951 174.588 175.510 0.049 0.000 1.208 137 N CA 0.672 53.746 53.050 0.040 0.000 1.029 137 N CB -1.143 37.351 38.487 0.011 0.000 1.403 137 N HN 0.306 nan 8.380 nan 0.000 0.500 138 H N 0.647 119.717 119.070 0.000 0.000 3.179 138 H HA 0.276 4.844 4.556 0.020 0.000 0.331 138 H C -0.015 175.314 175.328 0.002 0.000 1.013 138 H CA -0.565 55.485 56.048 0.004 0.000 1.430 138 H CB 0.902 30.670 29.762 0.011 0.000 1.895 138 H HN 0.484 nan 8.280 nan 0.000 0.468 139 G N 1.931 110.760 108.800 0.047 0.000 2.667 139 G HA2 0.130 4.102 3.960 0.020 0.000 0.250 139 G HA3 0.130 4.102 3.960 0.020 0.000 0.250 139 G C -0.309 174.695 174.900 0.173 0.000 1.212 139 G CA -0.453 44.696 45.100 0.081 0.000 0.874 139 G HN 0.559 nan 8.290 nan 0.000 0.561 140 S N -0.112 115.649 115.700 0.103 0.000 2.629 140 S HA 0.021 4.503 4.470 0.020 0.000 0.302 140 S C 0.593 175.260 174.600 0.111 0.000 1.244 140 S CA 0.097 58.355 58.200 0.095 0.000 1.098 140 S CB -0.020 63.225 63.200 0.075 0.000 0.858 140 S HN 0.348 nan 8.310 nan 0.000 0.502 141 I N 3.523 124.156 120.570 0.105 0.000 2.396 141 I HA 0.128 4.310 4.170 0.020 0.000 0.289 141 I C 0.610 176.791 176.117 0.107 0.000 1.056 141 I CA -0.118 61.227 61.300 0.075 0.000 1.365 141 I CB 0.293 38.324 38.000 0.051 0.000 1.407 141 I HN 0.612 nan 8.210 nan 0.000 0.509 142 H N 5.838 124.892 119.070 -0.027 0.000 2.467 142 H HA 0.495 5.063 4.556 0.019 0.000 0.331 142 H C -1.273 174.008 175.328 -0.079 0.000 1.120 142 H CA -0.173 55.900 56.048 0.041 0.000 1.270 142 H CB 1.021 30.789 29.762 0.010 0.000 1.466 142 H HN 0.300 nan 8.280 nan 0.000 0.504 143 F N 3.470 123.467 119.950 0.078 0.000 2.477 143 F HA 0.287 4.825 4.527 0.019 0.000 0.335 143 F C -0.630 175.308 175.800 0.229 0.000 1.130 143 F CA -0.845 57.258 58.000 0.172 0.000 0.948 143 F CB 1.428 40.551 39.000 0.206 0.000 1.154 143 F HN 0.225 nan 8.300 nan 0.000 0.439 144 V N 3.898 124.009 119.914 0.328 0.000 2.288 144 V HA 0.076 4.207 4.120 0.020 0.000 0.266 144 V C 0.340 176.516 176.094 0.136 0.000 1.048 144 V CA -0.150 62.297 62.300 0.245 0.000 0.842 144 V CB 0.247 32.191 31.823 0.202 0.000 1.064 144 V HN 1.072 nan 8.190 nan 0.000 0.472 145 C N 2.465 121.759 119.300 -0.011 0.000 2.631 145 C HA 0.047 4.519 4.460 0.020 0.000 0.283 145 C C 1.413 176.293 174.990 -0.184 0.000 1.295 145 C CA -0.317 58.558 59.018 -0.239 0.000 1.697 145 C CB -0.732 26.575 27.740 -0.722 0.000 2.128 145 C HN 0.934 nan 8.230 nan 0.000 0.503 146 N N 1.567 120.067 118.700 -0.334 0.000 2.650 146 N HA -0.156 4.595 4.740 0.020 0.000 0.272 146 N C -0.505 174.786 175.510 -0.365 0.000 1.058 146 N CA 1.254 54.022 53.050 -0.470 0.000 0.765 146 N CB -0.714 37.813 38.487 0.066 0.000 0.902 146 N HN 0.656 nan 8.380 nan 0.000 0.551 147 S N -0.718 114.591 115.700 -0.652 0.000 2.547 147 S HA 0.556 5.038 4.470 0.020 0.000 0.270 147 S C -1.413 173.159 174.600 -0.047 0.000 1.150 147 S CA -0.798 57.379 58.200 -0.039 0.000 0.850 147 S CB 0.742 64.097 63.200 0.259 0.000 1.118 147 S HN 0.300 nan 8.310 nan 0.000 0.461 148 W N 3.554 125.017 121.300 0.272 0.000 2.316 148 W HA 0.532 5.203 4.660 0.018 0.000 0.311 148 W C -0.183 176.436 176.519 0.166 0.000 1.217 148 W CA -0.632 56.876 57.345 0.272 0.000 1.199 148 W CB 0.787 30.476 29.460 0.382 0.000 1.202 148 W HN 0.350 nan 8.180 nan 0.000 0.528 149 I N 5.425 126.042 120.570 0.079 0.000 2.330 149 I HA 0.157 4.339 4.170 0.020 0.000 0.286 149 I C -0.263 175.748 176.117 -0.177 0.000 1.025 149 I CA -1.630 59.582 61.300 -0.148 0.000 1.197 149 I CB -0.647 37.013 38.000 -0.567 0.000 1.358 149 I HN 0.362 nan 8.210 nan 0.000 0.467 150 Y N 3.981 124.325 120.300 0.074 0.000 2.286 150 Y HA 0.168 4.729 4.550 0.019 0.000 0.347 150 Y C 1.454 177.386 175.900 0.053 0.000 1.351 150 Y CA -0.007 58.170 58.100 0.129 0.000 1.640 150 Y CB 0.364 38.995 38.460 0.284 0.000 1.560 150 Y HN 0.484 nan 8.280 nan 0.000 0.574 151 N N 0.581 119.371 118.700 0.150 0.000 2.458 151 N HA -0.028 4.724 4.740 0.020 0.000 0.258 151 N C 0.582 176.163 175.510 0.117 0.000 1.219 151 N CA 0.577 53.658 53.050 0.052 0.000 0.902 151 N CB 1.271 39.760 38.487 0.003 0.000 1.076 151 N HN 0.828 nan 8.380 nan 0.000 0.455 152 A N 4.662 127.498 122.820 0.027 0.000 2.032 152 A HA -0.204 4.127 4.320 0.020 0.000 0.221 152 A C 1.975 179.628 177.584 0.115 0.000 1.165 152 A CA 1.615 53.674 52.037 0.036 0.000 0.645 152 A CB -0.383 18.496 19.000 -0.201 0.000 0.807 152 A HN 0.892 nan 8.150 nan 0.000 0.453 153 K N 0.068 120.501 120.400 0.056 0.000 2.288 153 K HA 0.044 4.376 4.320 0.020 0.000 0.201 153 K C 1.157 177.681 176.600 -0.126 0.000 1.048 153 K CA 1.103 57.389 56.287 -0.002 0.000 0.956 153 K CB -0.433 32.059 32.500 -0.014 0.000 0.746 153 K HN 0.480 nan 8.250 nan 0.000 0.461 154 L N 0.173 121.209 121.223 -0.312 0.000 2.650 154 L HA 0.106 4.458 4.340 0.020 0.000 0.235 154 L C 0.876 177.322 176.870 -0.708 0.000 1.149 154 L CA 0.239 54.639 54.840 -0.733 0.000 0.887 154 L CB -0.307 40.895 42.059 -1.429 0.000 1.021 154 L HN 0.041 nan 8.230 nan 0.000 0.441 155 F N -0.100 119.823 119.950 -0.046 0.000 2.746 155 F HA 0.072 4.610 4.527 0.019 0.000 0.313 155 F C 1.672 177.483 175.800 0.019 0.000 1.095 155 F CA -0.283 57.729 58.000 0.019 0.000 1.224 155 F CB 0.252 39.248 39.000 -0.006 0.000 1.060 155 F HN 0.054 nan 8.300 nan 0.000 0.584 156 K N -0.712 119.770 120.400 0.136 0.000 3.456 156 K HA -0.302 4.030 4.320 0.020 0.000 0.313 156 K C 0.198 176.845 176.600 0.078 0.000 1.252 156 K CA 1.670 58.012 56.287 0.092 0.000 0.991 156 K CB -2.140 30.408 32.500 0.079 0.000 1.259 156 K HN 0.324 nan 8.250 nan 0.000 0.420 157 S N -0.478 115.277 115.700 0.092 0.000 4.228 157 S HA 0.480 4.962 4.470 0.020 0.000 0.207 157 S C -1.059 173.484 174.600 -0.096 0.000 1.152 157 S CA -0.404 57.799 58.200 0.006 0.000 1.645 157 S CB 0.965 64.198 63.200 0.055 0.000 1.307 157 S HN 0.339 nan 8.310 nan 0.000 0.761 158 D N 0.501 120.796 120.400 -0.176 0.000 2.745 158 D HA 0.258 4.910 4.640 0.020 0.000 0.221 158 D C -1.450 174.730 176.300 -0.200 0.000 1.237 158 D CA -0.494 53.336 54.000 -0.284 0.000 0.781 158 D CB 1.540 41.956 40.800 -0.639 0.000 1.575 158 D HN 0.131 nan 8.370 nan 0.000 0.482 159 R N 1.492 121.807 120.500 -0.308 0.000 2.401 159 R HA 0.346 4.698 4.340 0.020 0.000 0.299 159 R C 0.132 176.152 176.300 -0.466 0.000 1.064 159 R CA -0.105 55.709 56.100 -0.478 0.000 1.000 159 R CB 0.681 30.637 30.300 -0.574 0.000 0.973 159 R HN 0.485 nan 8.270 nan 0.000 0.438 160 I N 3.028 123.235 120.570 -0.605 0.000 2.525 160 I HA 0.456 4.638 4.170 0.020 0.000 0.301 160 I C -1.128 174.254 176.117 -1.225 0.000 0.992 160 I CA -0.877 59.971 61.300 -0.753 0.000 1.162 160 I CB 0.962 38.587 38.000 -0.625 0.000 1.332 160 I HN 0.310 nan 8.210 nan 0.000 0.458 161 F N 5.763 125.109 119.950 -1.006 0.000 2.565 161 F HA 0.540 5.079 4.527 0.020 0.000 0.313 161 F C -0.802 174.648 175.800 -0.583 0.000 1.091 161 F CA -0.460 57.053 58.000 -0.812 0.000 0.915 161 F CB 1.785 40.140 39.000 -1.074 0.000 1.208 161 F HN 0.154 nan 8.300 nan 0.000 0.453 162 F N 1.099 121.167 119.950 0.198 0.000 2.538 162 F HA 0.761 5.300 4.527 0.019 0.000 0.325 162 F C 0.370 176.184 175.800 0.023 0.000 1.066 162 F CA -1.238 56.843 58.000 0.135 0.000 0.946 162 F CB 1.284 40.296 39.000 0.020 0.000 1.199 162 F HN 0.562 nan 8.300 nan 0.000 0.473 163 A N 1.253 123.982 122.820 -0.151 0.000 2.366 163 A HA 0.138 4.469 4.320 0.020 0.000 0.249 163 A C 1.393 178.809 177.584 -0.280 0.000 1.084 163 A CA -0.265 51.319 52.037 -0.755 0.000 0.794 163 A CB -0.091 18.448 19.000 -0.768 0.000 1.034 163 A HN 1.008 nan 8.150 nan 0.000 0.491 164 N N -0.451 118.064 118.700 -0.309 0.000 2.387 164 N HA -0.217 4.535 4.740 0.020 0.000 0.197 164 N C -0.115 175.273 175.510 -0.204 0.000 1.001 164 N CA 1.130 54.077 53.050 -0.172 0.000 0.906 164 N CB -0.034 38.368 38.487 -0.142 0.000 0.961 164 N HN 0.688 nan 8.380 nan 0.000 0.452 165 Q N 0.272 119.900 119.800 -0.287 0.000 2.286 165 Q HA 0.133 4.485 4.340 0.020 0.000 0.257 165 Q C -0.293 175.327 176.000 -0.634 0.000 0.941 165 Q CA 0.198 55.717 55.803 -0.474 0.000 0.912 165 Q CB 1.693 30.062 28.738 -0.615 0.000 1.192 165 Q HN -0.058 nan 8.270 nan 0.000 0.410 166 T N 2.753 116.989 114.554 -0.529 0.000 2.771 166 T HA 0.473 4.835 4.350 0.020 0.000 0.291 166 T C -1.365 172.991 174.700 -0.573 0.000 0.954 166 T CA -0.280 61.558 62.100 -0.437 0.000 1.045 166 T CB 0.135 68.862 68.868 -0.235 0.000 0.917 166 T HN 0.342 nan 8.240 nan 0.000 0.484 167 Y N 4.090 124.281 120.300 -0.182 0.000 2.376 167 Y HA 0.466 5.028 4.550 0.020 0.000 0.340 167 Y C 0.480 176.201 175.900 -0.300 0.000 0.965 167 Y CA -1.268 56.720 58.100 -0.186 0.000 1.078 167 Y CB 1.251 39.617 38.460 -0.156 0.000 1.193 167 Y HN 0.511 nan 8.280 nan 0.000 0.452 168 L N 5.649 126.794 121.223 -0.131 0.000 2.479 168 L HA 0.080 4.432 4.340 0.020 0.000 0.270 168 L C -1.045 175.730 176.870 -0.158 0.000 1.236 168 L CA -1.214 53.438 54.840 -0.313 0.000 0.823 168 L CB 0.898 42.827 42.059 -0.218 0.000 1.098 168 L HN 0.481 nan 8.230 nan 0.000 0.500 169 P HA -0.051 nan 4.420 nan 0.000 0.244 169 P C 0.922 178.238 177.300 0.027 0.000 1.211 169 P CA 0.479 63.608 63.100 0.048 0.000 0.760 169 P CB 0.324 32.144 31.700 0.200 0.000 0.961 170 S N 0.866 116.562 115.700 -0.007 0.000 2.440 170 S HA -0.132 4.350 4.470 0.020 0.000 0.238 170 S C 0.839 175.414 174.600 -0.041 0.000 1.010 170 S CA 0.905 59.093 58.200 -0.020 0.000 0.972 170 S CB -0.706 62.472 63.200 -0.037 0.000 0.774 170 S HN 0.395 nan 8.310 nan 0.000 0.501 171 E N -0.910 119.258 120.200 -0.054 0.000 2.957 171 E HA -0.185 4.177 4.350 0.020 0.000 0.287 171 E C 0.704 177.195 176.600 -0.182 0.000 0.976 171 E CA 0.542 56.894 56.400 -0.079 0.000 0.907 171 E CB -2.562 27.115 29.700 -0.039 0.000 1.456 171 E HN 0.406 nan 8.360 nan 0.000 0.421 172 T N 0.446 114.841 114.554 -0.264 0.000 2.176 172 T HA -0.223 4.139 4.350 0.020 0.000 0.197 172 T C -1.620 172.842 174.700 -0.395 0.000 1.683 172 T CA 1.876 63.752 62.100 -0.372 0.000 1.094 172 T CB -1.248 67.333 68.868 -0.478 0.000 0.846 172 T HN 0.178 nan 8.240 nan 0.000 0.404 173 P HA 0.246 nan 4.420 nan 0.000 0.256 173 P C 0.317 177.546 177.300 -0.118 0.000 1.189 173 P CA 0.452 63.400 63.100 -0.253 0.000 0.808 173 P CB 0.096 31.670 31.700 -0.209 0.000 0.793 174 A N 6.836 129.610 122.820 -0.076 0.000 1.940 174 A HA -0.197 4.134 4.320 0.020 0.000 0.221 174 A C -0.290 177.305 177.584 0.019 0.000 1.190 174 A CA 1.956 53.976 52.037 -0.029 0.000 0.647 174 A CB -2.341 16.647 19.000 -0.020 0.000 0.821 174 A HN 0.430 nan 8.150 nan 0.000 0.457 175 P HA -0.120 nan 4.420 nan 0.000 0.219 175 P C 1.166 178.609 177.300 0.237 0.000 1.146 175 P CA 0.768 63.942 63.100 0.124 0.000 0.808 175 P CB 0.017 31.790 31.700 0.121 0.000 0.779 176 L N -1.588 119.746 121.223 0.185 0.000 2.209 176 L HA -0.025 4.327 4.340 0.020 0.000 0.207 176 L C 2.380 179.375 176.870 0.207 0.000 1.094 176 L CA 1.028 56.029 54.840 0.268 0.000 0.790 176 L CB -1.570 40.575 42.059 0.142 0.000 0.932 176 L HN -0.162 nan 8.230 nan 0.000 0.447 177 V N 0.044 120.003 119.914 0.075 0.000 2.277 177 V HA -0.450 3.682 4.120 0.020 0.000 0.255 177 V C 2.602 178.726 176.094 0.049 0.000 1.074 177 V CA 2.188 64.508 62.300 0.033 0.000 1.058 177 V CB -0.196 31.627 31.823 -0.000 0.000 0.656 177 V HN 0.476 nan 8.190 nan 0.000 0.449 178 K N -2.048 118.365 120.400 0.022 0.000 2.155 178 K HA -0.104 4.227 4.320 0.020 0.000 0.203 178 K C 1.962 178.542 176.600 -0.034 0.000 1.052 178 K CA 1.416 57.673 56.287 -0.051 0.000 0.948 178 K CB -0.216 32.190 32.500 -0.157 0.000 0.728 178 K HN 0.579 nan 8.250 nan 0.000 0.448 179 Y N 0.712 121.075 120.300 0.105 0.000 2.293 179 Y HA -0.136 4.426 4.550 0.020 0.000 0.291 179 Y C 2.429 178.481 175.900 0.254 0.000 1.137 179 Y CA 1.157 59.355 58.100 0.162 0.000 1.202 179 Y CB -0.122 38.434 38.460 0.161 0.000 0.990 179 Y HN -0.000 nan 8.280 nan 0.000 0.537 180 R N 1.027 121.713 120.500 0.310 0.000 2.073 180 R HA -0.144 4.208 4.340 0.020 0.000 0.229 180 R C 2.043 178.413 176.300 0.116 0.000 1.120 180 R CA 1.735 57.915 56.100 0.134 0.000 0.967 180 R CB -0.153 30.125 30.300 -0.036 0.000 0.862 180 R HN 0.552 nan 8.270 nan 0.000 0.436 181 E N -0.207 120.051 120.200 0.097 0.000 2.208 181 E HA -0.199 4.163 4.350 0.020 0.000 0.193 181 E C 1.649 178.318 176.600 0.116 0.000 0.988 181 E CA 0.892 57.345 56.400 0.089 0.000 0.828 181 E CB -0.173 29.559 29.700 0.053 0.000 0.763 181 E HN 0.501 nan 8.360 nan 0.000 0.478 182 E N 1.362 121.633 120.200 0.118 0.000 2.028 182 E HA -0.200 4.162 4.350 0.020 0.000 0.191 182 E C 2.170 178.890 176.600 0.200 0.000 0.988 182 E CA 0.817 57.300 56.400 0.139 0.000 0.799 182 E CB 0.101 29.867 29.700 0.110 0.000 0.755 182 E HN 0.186 nan 8.360 nan 0.000 0.447 183 E N 0.400 120.721 120.200 0.202 0.000 2.085 183 E HA -0.200 4.162 4.350 0.020 0.000 0.194 183 E C 2.220 178.898 176.600 0.131 0.000 0.994 183 E CA 0.609 57.110 56.400 0.168 0.000 0.801 183 E CB -0.131 29.689 29.700 0.200 0.000 0.743 183 E HN 0.201 nan 8.360 nan 0.000 0.453 184 L N 0.589 121.885 121.223 0.122 0.000 1.990 184 L HA -0.239 4.113 4.340 0.020 0.000 0.213 184 L C 2.465 179.380 176.870 0.074 0.000 1.072 184 L CA 2.212 57.096 54.840 0.073 0.000 0.755 184 L CB -1.053 41.056 42.059 0.083 0.000 0.889 184 L HN 0.270 nan 8.230 nan 0.000 0.432 185 H N -0.784 118.310 119.070 0.040 0.000 2.387 185 H HA -0.125 4.443 4.556 0.020 0.000 0.299 185 H C 2.028 177.384 175.328 0.046 0.000 1.099 185 H CA 2.144 58.215 56.048 0.038 0.000 1.315 185 H CB -0.027 29.761 29.762 0.045 0.000 1.380 185 H HN 0.425 nan 8.280 nan 0.000 0.513 186 N N -0.228 118.490 118.700 0.030 0.000 2.331 186 N HA -0.098 4.654 4.740 0.020 0.000 0.180 186 N C 1.063 176.585 175.510 0.020 0.000 1.019 186 N CA 0.612 53.668 53.050 0.010 0.000 0.881 186 N CB 0.219 38.772 38.487 0.111 0.000 0.972 186 N HN 0.297 nan 8.380 nan 0.000 0.435 187 L N 1.138 122.392 121.223 0.050 0.000 2.341 187 L HA 0.045 4.397 4.340 0.020 0.000 0.214 187 L C 2.112 179.039 176.870 0.094 0.000 1.115 187 L CA 0.968 55.888 54.840 0.133 0.000 0.820 187 L CB -0.735 41.400 42.059 0.126 0.000 0.944 187 L HN 0.069 nan 8.230 nan 0.000 0.452 188 R N -0.169 120.310 120.500 -0.035 0.000 2.062 188 R HA 0.080 4.431 4.340 0.020 0.000 0.226 188 R C 1.388 177.649 176.300 -0.065 0.000 1.125 188 R CA 0.765 56.830 56.100 -0.058 0.000 0.966 188 R CB -0.418 29.818 30.300 -0.107 0.000 0.861 188 R HN 0.363 nan 8.270 nan 0.000 0.433 189 G N 2.624 111.340 108.800 -0.140 0.000 2.361 189 G HA2 -0.367 3.605 3.960 0.020 0.000 0.294 189 G HA3 -0.367 3.605 3.960 0.020 0.000 0.294 189 G C -0.400 174.434 174.900 -0.109 0.000 1.004 189 G CA 0.801 45.814 45.100 -0.146 0.000 0.870 189 G HN 0.543 nan 8.290 nan 0.000 0.510 190 D N -2.723 117.623 120.400 -0.091 0.000 10.226 190 D HA 0.119 4.771 4.640 0.020 0.000 0.359 190 D C 0.841 177.115 176.300 -0.044 0.000 2.990 190 D CA 2.342 56.314 54.000 -0.047 0.000 2.347 190 D CB -0.920 39.856 40.800 -0.039 0.000 1.140 190 D HN 1.267 nan 8.370 nan 0.000 1.059 191 G N 0.430 109.213 108.800 -0.029 0.000 4.373 191 G HA2 0.578 4.550 3.960 0.020 0.000 0.337 191 G HA3 0.578 4.550 3.960 0.020 0.000 0.337 191 G C -0.785 174.088 174.900 -0.044 0.000 1.442 191 G CA 0.262 45.343 45.100 -0.031 0.000 1.150 191 G HN 0.654 nan 8.290 nan 0.000 0.517 192 T N -1.483 113.030 114.554 -0.069 0.000 3.237 192 T HA 0.769 5.131 4.350 0.020 0.000 0.319 192 T C 0.073 174.709 174.700 -0.107 0.000 1.037 192 T CA -0.148 61.908 62.100 -0.073 0.000 1.048 192 T CB 1.748 70.584 68.868 -0.053 0.000 1.081 192 T HN 1.799 nan 8.240 nan 0.000 0.455 193 G N 1.491 110.224 108.800 -0.112 0.000 2.525 193 G HA2 0.121 4.093 3.960 0.020 0.000 0.685 193 G HA3 0.121 4.093 3.960 0.020 0.000 0.685 193 G C -1.293 173.495 174.900 -0.186 0.000 1.290 193 G CA -0.874 44.143 45.100 -0.139 0.000 0.915 193 G HN 0.976 nan 8.290 nan 0.000 0.548 194 E N 0.459 120.534 120.200 -0.208 0.000 2.113 194 E HA 0.394 4.756 4.350 0.020 0.000 0.273 194 E C 0.432 176.806 176.600 -0.378 0.000 0.924 194 E CA -0.891 55.360 56.400 -0.248 0.000 0.764 194 E CB 0.442 30.035 29.700 -0.179 0.000 1.104 194 E HN 0.417 nan 8.360 nan 0.000 0.406 195 R N 3.229 123.410 120.500 -0.532 0.000 2.537 195 R HA 0.176 4.527 4.340 0.020 0.000 0.280 195 R C 0.089 175.905 176.300 -0.807 0.000 1.058 195 R CA -0.038 55.518 56.100 -0.907 0.000 1.057 195 R CB 0.423 29.765 30.300 -1.597 0.000 0.973 195 R HN 0.388 nan 8.270 nan 0.000 0.438 196 K N 1.718 121.588 120.400 -0.883 0.000 2.211 196 K HA 0.127 4.459 4.320 0.020 0.000 0.237 196 K C 1.061 177.292 176.600 -0.615 0.000 1.002 196 K CA -0.715 55.090 56.287 -0.803 0.000 0.885 196 K CB 1.012 32.691 32.500 -1.368 0.000 1.136 196 K HN 0.539 nan 8.250 nan 0.000 0.448 197 E N 1.158 121.096 120.200 -0.436 0.000 2.097 197 E HA -0.168 4.193 4.350 0.020 0.000 0.196 197 E C 1.014 177.473 176.600 -0.235 0.000 1.000 197 E CA 1.595 57.898 56.400 -0.162 0.000 0.804 197 E CB 0.066 29.783 29.700 0.029 0.000 0.740 197 E HN 0.633 nan 8.360 nan 0.000 0.454 198 W N 1.374 122.412 121.300 -0.437 0.000 2.937 198 W HA 0.181 4.852 4.660 0.019 0.000 0.245 198 W C 0.110 176.460 176.519 -0.281 0.000 1.306 198 W CA -0.148 56.734 57.345 -0.772 0.000 1.470 198 W CB -0.716 28.122 29.460 -1.036 0.000 1.132 198 W HN -0.062 nan 8.180 nan 0.000 0.675 199 E N 1.281 121.333 120.200 -0.247 0.000 2.349 199 E HA 0.268 4.630 4.350 0.020 0.000 0.265 199 E C -0.043 176.616 176.600 0.099 0.000 1.064 199 E CA -0.440 55.911 56.400 -0.081 0.000 0.886 199 E CB 0.896 30.388 29.700 -0.347 0.000 1.036 199 E HN -0.015 nan 8.360 nan 0.000 0.413 200 R N 1.785 122.344 120.500 0.099 0.000 2.776 200 R HA 0.274 4.626 4.340 0.020 0.000 0.391 200 R C -0.701 175.631 176.300 0.054 0.000 1.116 200 R CA -0.350 55.781 56.100 0.052 0.000 1.056 200 R CB 0.049 30.463 30.300 0.191 0.000 1.369 200 R HN 0.308 nan 8.270 nan 0.000 0.590 201 I N 0.830 121.409 120.570 0.015 0.000 2.396 201 I HA 0.189 4.371 4.170 0.020 0.000 0.292 201 I C -0.409 175.688 176.117 -0.032 0.000 0.999 201 I CA -0.378 60.936 61.300 0.025 0.000 1.310 201 I CB 0.493 38.453 38.000 -0.067 0.000 1.404 201 I HN 0.090 nan 8.210 nan 0.000 0.496 202 Y N 4.259 124.538 120.300 -0.034 0.000 2.376 202 Y HA 0.651 5.213 4.550 0.020 0.000 0.340 202 Y C -0.194 175.590 175.900 -0.192 0.000 0.965 202 Y CA -0.651 57.389 58.100 -0.101 0.000 1.078 202 Y CB 1.675 40.066 38.460 -0.115 0.000 1.193 202 Y HN 0.470 nan 8.280 nan 0.000 0.452 203 D N 0.487 120.800 120.400 -0.145 0.000 2.742 203 D HA 0.256 4.907 4.640 0.020 0.000 0.262 203 D C -1.734 174.366 176.300 -0.332 0.000 1.240 203 D CA -0.800 53.052 54.000 -0.247 0.000 0.752 203 D CB 1.199 41.964 40.800 -0.058 0.000 1.290 203 D HN 0.279 nan 8.370 nan 0.000 0.420 204 Y N 0.444 120.736 120.300 -0.015 0.000 2.453 204 Y HA 0.633 5.195 4.550 0.020 0.000 0.326 204 Y C 0.541 176.419 175.900 -0.036 0.000 1.186 204 Y CA -0.387 57.691 58.100 -0.037 0.000 1.200 204 Y CB 1.274 39.702 38.460 -0.053 0.000 1.247 204 Y HN 0.166 nan 8.280 nan 0.000 0.482 205 D N -1.122 119.351 120.400 0.121 0.000 2.692 205 D HA 0.468 5.120 4.640 0.020 0.000 0.290 205 D C -1.618 174.717 176.300 0.060 0.000 1.281 205 D CA -0.418 53.617 54.000 0.059 0.000 0.804 205 D CB 2.192 42.993 40.800 0.001 0.000 1.331 205 D HN 0.249 nan 8.370 nan 0.000 0.432 206 V N 1.207 121.159 119.914 0.063 0.000 2.837 206 V HA 0.291 4.423 4.120 0.020 0.000 0.310 206 V C -0.364 175.815 176.094 0.141 0.000 1.059 206 V CA -0.430 61.950 62.300 0.135 0.000 1.004 206 V CB 1.271 33.158 31.823 0.107 0.000 1.045 206 V HN 0.463 nan 8.190 nan 0.000 0.465 207 Y N 3.527 123.873 120.300 0.077 0.000 2.573 207 Y HA 0.150 4.711 4.550 0.019 0.000 0.346 207 Y C 1.181 177.084 175.900 0.005 0.000 1.198 207 Y CA -0.112 58.020 58.100 0.053 0.000 1.627 207 Y CB -0.403 38.096 38.460 0.065 0.000 1.457 207 Y HN 0.763 nan 8.280 nan 0.000 0.483 208 N N -1.528 117.220 118.700 0.079 0.000 2.197 208 N HA 0.006 4.757 4.740 0.020 0.000 0.228 208 N C 0.705 176.222 175.510 0.012 0.000 1.212 208 N CA -0.033 53.043 53.050 0.044 0.000 0.883 208 N CB 0.381 38.889 38.487 0.035 0.000 1.107 208 N HN 0.333 nan 8.380 nan 0.000 0.519 209 D N 0.430 120.828 120.400 -0.005 0.000 2.301 209 D HA 0.076 4.728 4.640 0.020 0.000 0.206 209 D C 1.387 177.676 176.300 -0.018 0.000 0.979 209 D CA 0.386 54.368 54.000 -0.030 0.000 0.874 209 D CB 0.473 41.224 40.800 -0.082 0.000 0.968 209 D HN 0.208 nan 8.370 nan 0.000 0.510 210 L N 0.264 121.485 121.223 -0.003 0.000 2.270 210 L HA 0.216 4.568 4.340 0.020 0.000 0.210 210 L C 1.627 178.477 176.870 -0.033 0.000 1.104 210 L CA 0.479 55.306 54.840 -0.021 0.000 0.804 210 L CB -0.291 41.755 42.059 -0.022 0.000 0.937 210 L HN -0.099 nan 8.230 nan 0.000 0.450 211 G N -1.971 106.817 108.800 -0.020 0.000 2.491 211 G HA2 0.412 4.384 3.960 0.020 0.000 0.327 211 G HA3 0.412 4.384 3.960 0.020 0.000 0.327 211 G C -1.387 173.521 174.900 0.014 0.000 1.189 211 G CA -0.188 44.907 45.100 -0.009 0.000 0.956 211 G HN -0.046 nan 8.290 nan 0.000 0.491 212 D N 0.038 120.467 120.400 0.048 0.000 2.408 212 D HA 0.393 5.045 4.640 0.020 0.000 0.261 212 D C -1.743 174.593 176.300 0.060 0.000 1.190 212 D CA -1.963 52.068 54.000 0.051 0.000 0.910 212 D CB 2.100 42.937 40.800 0.062 0.000 1.097 212 D HN -0.043 nan 8.370 nan 0.000 0.522 213 P HA -0.047 nan 4.420 nan 0.000 0.217 213 P C 0.562 177.849 177.300 -0.022 0.000 1.150 213 P CA 0.719 63.830 63.100 0.018 0.000 0.832 213 P CB 0.430 32.138 31.700 0.013 0.000 0.787 214 D N -0.985 119.397 120.400 -0.030 0.000 2.371 214 D HA -0.087 4.564 4.640 0.020 0.000 0.221 214 D C 1.135 177.376 176.300 -0.098 0.000 0.986 214 D CA 0.911 54.880 54.000 -0.052 0.000 0.899 214 D CB -0.368 40.411 40.800 -0.035 0.000 0.902 214 D HN 0.226 nan 8.370 nan 0.000 0.530 215 K N 0.378 120.680 120.400 -0.163 0.000 2.981 215 K HA 0.392 4.724 4.320 0.020 0.000 0.213 215 K C -0.236 175.981 176.600 -0.638 0.000 1.154 215 K CA -0.169 55.926 56.287 -0.320 0.000 1.111 215 K CB -0.035 32.325 32.500 -0.233 0.000 0.975 215 K HN 0.069 nan 8.250 nan 0.000 0.462 216 G N 1.489 110.094 108.800 -0.324 0.000 2.697 216 G HA2 -0.182 3.790 3.960 0.020 0.000 0.686 216 G HA3 -0.182 3.790 3.960 0.020 0.000 0.686 216 G C 0.197 175.060 174.900 -0.062 0.000 1.179 216 G CA -0.265 44.697 45.100 -0.229 0.000 0.765 216 G HN 0.303 nan 8.290 nan 0.000 0.649 217 E N 1.104 121.302 120.200 -0.002 0.000 2.153 217 E HA -0.215 4.147 4.350 0.020 0.000 0.194 217 E C 1.698 178.346 176.600 0.081 0.000 0.988 217 E CA 1.119 57.541 56.400 0.037 0.000 0.811 217 E CB -0.221 29.495 29.700 0.028 0.000 0.746 217 E HN 0.679 nan 8.360 nan 0.000 0.466 218 N N 1.050 119.824 118.700 0.123 0.000 2.443 218 N HA -0.181 4.571 4.740 0.020 0.000 0.184 218 N C 0.894 176.506 175.510 0.170 0.000 1.037 218 N CA 0.716 53.858 53.050 0.153 0.000 0.896 218 N CB -0.140 38.455 38.487 0.180 0.000 0.959 218 N HN 0.421 nan 8.380 nan 0.000 0.442 219 H N -0.724 118.334 119.070 -0.019 0.000 2.520 219 H HA 0.285 4.853 4.556 0.020 0.000 0.284 219 H C 0.221 175.533 175.328 -0.027 0.000 1.037 219 H CA -0.509 55.523 56.048 -0.028 0.000 1.168 219 H CB 0.712 30.459 29.762 -0.024 0.000 1.497 219 H HN 0.204 nan 8.280 nan 0.000 0.547 220 A N 1.525 124.396 122.820 0.086 0.000 2.316 220 A HA 0.553 4.885 4.320 0.020 0.000 0.284 220 A C 0.074 177.665 177.584 0.011 0.000 1.115 220 A CA -0.349 51.715 52.037 0.044 0.000 0.812 220 A CB 0.808 19.835 19.000 0.045 0.000 1.064 220 A HN 0.319 nan 8.150 nan 0.000 0.489 221 R N 1.023 121.520 120.500 -0.005 0.000 2.628 221 R HA 0.592 4.944 4.340 0.020 0.000 0.288 221 R C -2.971 173.307 176.300 -0.036 0.000 0.980 221 R CA -1.573 54.501 56.100 -0.043 0.000 0.891 221 R CB 1.569 31.826 30.300 -0.071 0.000 1.188 221 R HN 0.545 nan 8.270 nan 0.000 0.450 222 P HA 0.017 nan 4.420 nan 0.000 0.271 222 P C -0.806 176.477 177.300 -0.028 0.000 1.216 222 P CA -0.519 62.579 63.100 -0.003 0.000 0.771 222 P CB 0.890 32.593 31.700 0.005 0.000 0.864 223 V N 5.008 124.951 119.914 0.049 0.000 2.540 223 V HA 0.020 4.152 4.120 0.020 0.000 0.297 223 V C -0.431 175.705 176.094 0.070 0.000 1.024 223 V CA 0.037 62.372 62.300 0.058 0.000 1.105 223 V CB -0.332 31.539 31.823 0.080 0.000 0.938 223 V HN 0.237 nan 8.190 nan 0.000 0.482 224 L N 7.753 128.992 121.223 0.026 0.000 2.262 224 L HA 0.894 5.246 4.340 0.020 0.000 0.288 224 L C 0.453 177.415 176.870 0.153 0.000 1.035 224 L CA 0.968 55.788 54.840 -0.034 0.000 0.820 224 L CB 0.452 42.249 42.059 -0.438 0.000 1.204 224 L HN 1.135 nan 8.230 nan 0.000 0.424 225 G N 1.872 110.802 108.800 0.217 0.000 2.697 225 G HA2 0.481 4.453 3.960 0.020 0.000 0.684 225 G HA3 0.481 4.453 3.960 0.020 0.000 0.684 225 G C 0.203 175.208 174.900 0.176 0.000 1.274 225 G CA -0.343 44.897 45.100 0.232 0.000 0.806 225 G HN 1.194 nan 8.290 nan 0.000 0.644 226 G N -0.400 108.491 108.800 0.151 0.000 2.141 226 G HA2 0.212 4.184 3.960 0.020 0.000 0.231 226 G HA3 0.212 4.184 3.960 0.020 0.000 0.231 226 G C 0.165 175.128 174.900 0.106 0.000 0.984 226 G CA 1.004 46.169 45.100 0.108 0.000 0.660 226 G HN 2.767 nan 8.290 nan 0.000 0.525 227 N N -1.973 116.805 118.700 0.131 0.000 3.046 227 N HA 0.521 5.273 4.740 0.020 0.000 0.243 227 N C -0.179 175.400 175.510 0.116 0.000 1.452 227 N CA -0.293 52.821 53.050 0.107 0.000 0.882 227 N CB 0.384 38.936 38.487 0.107 0.000 1.425 227 N HN -0.204 nan 8.380 nan 0.000 0.517 228 D N -0.809 119.634 120.400 0.072 0.000 2.333 228 D HA 0.042 4.693 4.640 0.020 0.000 0.208 228 D C 0.830 177.145 176.300 0.025 0.000 0.984 228 D CA 1.051 55.090 54.000 0.066 0.000 0.873 228 D CB -0.097 40.726 40.800 0.039 0.000 0.935 228 D HN 0.668 nan 8.370 nan 0.000 0.521 229 T N -0.064 114.453 114.554 -0.061 0.000 2.809 229 T HA -0.023 4.339 4.350 0.020 0.000 0.260 229 T C 0.553 175.086 174.700 -0.279 0.000 1.039 229 T CA 0.582 62.511 62.100 -0.284 0.000 1.141 229 T CB 0.003 68.565 68.868 -0.510 0.000 0.869 229 T HN -0.011 nan 8.240 nan 0.000 0.437 230 F N 3.237 123.254 119.950 0.112 0.000 2.371 230 F HA 0.377 4.916 4.527 0.020 0.000 0.343 230 F C -2.455 173.449 175.800 0.174 0.000 1.150 230 F CA -3.816 54.254 58.000 0.117 0.000 1.220 230 F CB 0.621 39.654 39.000 0.054 0.000 1.475 230 F HN -0.049 nan 8.300 nan 0.000 0.521 231 P HA 0.138 nan 4.420 nan 0.000 0.275 231 P C -1.155 176.497 177.300 0.586 0.000 1.227 231 P CA 0.085 63.468 63.100 0.471 0.000 0.781 231 P CB 1.660 33.635 31.700 0.460 0.000 0.906 232 Y N 2.349 122.705 120.300 0.094 0.000 2.581 232 Y HA 0.352 4.914 4.550 0.019 0.000 0.337 232 Y C -2.369 173.290 175.900 -0.401 0.000 1.108 232 Y CA -2.380 55.512 58.100 -0.347 0.000 1.033 232 Y CB 2.176 40.474 38.460 -0.270 0.000 1.318 232 Y HN 0.278 nan 8.280 nan 0.000 0.459 233 P HA 0.137 nan 4.420 nan 0.000 0.268 233 P C -0.521 176.650 177.300 -0.213 0.000 1.205 233 P CA -0.095 62.592 63.100 -0.688 0.000 0.771 233 P CB 0.784 31.937 31.700 -0.912 0.000 0.858 234 R N 2.388 122.804 120.500 -0.141 0.000 2.707 234 R HA 0.303 4.655 4.340 0.020 0.000 0.270 234 R C 1.055 177.408 176.300 0.089 0.000 1.083 234 R CA -0.145 56.001 56.100 0.076 0.000 1.182 234 R CB 0.130 30.505 30.300 0.125 0.000 1.084 234 R HN 0.683 nan 8.270 nan 0.000 0.528 235 R N -1.376 119.141 120.500 0.028 0.000 2.960 235 R HA 0.601 4.953 4.340 0.020 0.000 0.249 235 R C 0.017 176.263 176.300 -0.089 0.000 1.192 235 R CA -0.812 55.236 56.100 -0.087 0.000 1.035 235 R CB -0.057 30.032 30.300 -0.353 0.000 1.234 235 R HN 0.576 nan 8.270 nan 0.000 0.493 236 G N 0.476 109.209 108.800 -0.111 0.000 2.380 236 G HA2 0.119 4.091 3.960 0.020 0.000 0.242 236 G HA3 0.119 4.091 3.960 0.020 0.000 0.242 236 G C -0.681 174.176 174.900 -0.071 0.000 1.298 236 G CA -0.512 44.524 45.100 -0.107 0.000 0.878 236 G HN 0.528 nan 8.290 nan 0.000 0.542 237 R N 1.125 121.594 120.500 -0.050 0.000 2.316 237 R HA 0.318 4.670 4.340 0.020 0.000 0.314 237 R C -0.210 176.102 176.300 0.020 0.000 1.069 237 R CA -0.127 55.955 56.100 -0.030 0.000 0.959 237 R CB 0.497 30.775 30.300 -0.037 0.000 0.987 237 R HN 0.427 nan 8.270 nan 0.000 0.446 238 T N 2.065 116.619 114.554 0.000 0.000 2.823 238 T HA 0.423 4.785 4.350 0.020 0.000 0.279 238 T C 0.416 175.048 174.700 -0.112 0.000 0.998 238 T CA -0.583 61.520 62.100 0.004 0.000 0.994 238 T CB 1.323 70.218 68.868 0.045 0.000 0.960 238 T HN 0.708 nan 8.240 nan 0.000 0.448 239 G N 4.227 112.908 108.800 -0.199 0.000 3.949 239 G HA2 0.254 4.226 3.960 0.020 0.000 0.295 239 G HA3 0.254 4.226 3.960 0.020 0.000 0.295 239 G C 0.347 175.175 174.900 -0.121 0.000 1.286 239 G CA -0.500 44.505 45.100 -0.158 0.000 1.171 239 G HN 0.658 nan 8.290 nan 0.000 0.586 240 R N 0.737 121.181 120.500 -0.093 0.000 2.641 240 R HA 0.263 4.615 4.340 0.020 0.000 0.269 240 R C 0.480 176.745 176.300 -0.057 0.000 1.074 240 R CA -0.431 55.625 56.100 -0.074 0.000 1.133 240 R CB 0.837 31.102 30.300 -0.058 0.000 1.029 240 R HN 0.410 nan 8.270 nan 0.000 0.488 241 K N 2.444 122.813 120.400 -0.051 0.000 2.485 241 K HA 0.078 4.410 4.320 0.020 0.000 0.277 241 K C -2.196 174.385 176.600 -0.031 0.000 0.990 241 K CA -1.092 55.171 56.287 -0.040 0.000 0.994 241 K CB 0.039 32.518 32.500 -0.036 0.000 0.906 241 K HN 0.260 nan 8.250 nan 0.000 0.488 242 P HA -0.012 nan 4.420 nan 0.000 0.275 242 P C -0.280 177.011 177.300 -0.015 0.000 1.266 242 P CA -0.475 62.615 63.100 -0.018 0.000 0.793 242 P CB 0.516 32.208 31.700 -0.013 0.000 1.074 243 T N 0.195 114.743 114.554 -0.011 0.000 2.856 243 T HA 0.072 4.434 4.350 0.020 0.000 0.306 243 T C 1.698 176.392 174.700 -0.009 0.000 1.062 243 T CA 0.031 62.125 62.100 -0.009 0.000 1.083 243 T CB 0.149 69.015 68.868 -0.004 0.000 0.984 243 T HN 0.297 nan 8.240 nan 0.000 0.542 244 R N 1.053 121.547 120.500 -0.011 0.000 2.052 244 R HA 0.100 4.452 4.340 0.020 0.000 0.226 244 R C 2.390 178.685 176.300 -0.008 0.000 1.145 244 R CA 0.989 57.082 56.100 -0.011 0.000 0.952 244 R CB -0.045 30.247 30.300 -0.014 0.000 0.847 244 R HN 0.486 nan 8.270 nan 0.000 0.431 245 K N 0.864 121.259 120.400 -0.009 0.000 2.519 245 K HA -0.083 4.249 4.320 0.020 0.000 0.196 245 K C -0.267 176.333 176.600 0.001 0.000 1.041 245 K CA 0.849 57.133 56.287 -0.005 0.000 0.954 245 K CB -0.091 32.404 32.500 -0.008 0.000 0.774 245 K HN 0.401 nan 8.250 nan 0.000 0.480 246 D N -1.464 118.937 120.400 0.003 0.000 2.878 246 D HA 0.047 4.699 4.640 0.020 0.000 0.211 246 D C -2.644 173.660 176.300 0.005 0.000 1.271 246 D CA -1.356 52.648 54.000 0.007 0.000 0.845 246 D CB 2.006 42.814 40.800 0.014 0.000 1.679 246 D HN -0.245 nan 8.370 nan 0.000 0.536 247 P HA -0.025 nan 4.420 nan 0.000 0.233 247 P C 0.445 177.749 177.300 0.006 0.000 1.167 247 P CA 0.249 63.350 63.100 0.002 0.000 0.770 247 P CB 0.385 32.085 31.700 0.001 0.000 0.837 248 N N -0.263 118.445 118.700 0.012 0.000 2.494 248 N HA 0.006 4.758 4.740 0.020 0.000 0.182 248 N C 0.669 176.190 175.510 0.018 0.000 1.076 248 N CA 0.554 53.615 53.050 0.018 0.000 0.908 248 N CB -0.088 38.416 38.487 0.028 0.000 0.967 248 N HN 0.169 nan 8.380 nan 0.000 0.449 249 S N 0.029 115.736 115.700 0.012 0.000 2.718 249 S HA 0.350 4.832 4.470 0.020 0.000 0.300 249 S C 0.055 174.654 174.600 -0.001 0.000 1.117 249 S CA -0.914 57.292 58.200 0.009 0.000 1.002 249 S CB 2.445 65.652 63.200 0.011 0.000 1.092 249 S HN 0.287 nan 8.310 nan 0.000 0.542 250 E N 0.158 120.353 120.200 -0.008 0.000 2.227 250 E HA 0.489 4.851 4.350 0.020 0.000 0.268 250 E C -1.062 175.527 176.600 -0.018 0.000 0.907 250 E CA -0.717 55.673 56.400 -0.017 0.000 0.786 250 E CB 1.217 30.901 29.700 -0.026 0.000 1.191 250 E HN 0.369 nan 8.360 nan 0.000 0.411 251 S N 2.541 118.229 115.700 -0.021 0.000 2.546 251 S HA 0.052 4.534 4.470 0.020 0.000 0.290 251 S C 0.225 174.813 174.600 -0.021 0.000 1.290 251 S CA -0.365 57.823 58.200 -0.020 0.000 1.069 251 S CB 0.232 63.418 63.200 -0.023 0.000 0.846 251 S HN 0.378 nan 8.310 nan 0.000 0.495 252 R N 1.710 122.201 120.500 -0.016 0.000 2.784 252 R HA 0.338 4.690 4.340 0.020 0.000 0.266 252 R C 0.278 176.568 176.300 -0.016 0.000 1.044 252 R CA 0.093 56.184 56.100 -0.015 0.000 1.151 252 R CB 0.577 30.872 30.300 -0.008 0.000 1.037 252 R HN 0.605 nan 8.270 nan 0.000 0.478 253 S N -0.655 115.036 115.700 -0.016 0.000 2.586 253 S HA 0.125 4.607 4.470 0.020 0.000 0.277 253 S C -0.094 174.499 174.600 -0.012 0.000 1.131 253 S CA -0.755 57.437 58.200 -0.014 0.000 0.848 253 S CB 1.126 64.316 63.200 -0.018 0.000 1.091 253 S HN 0.618 nan 8.310 nan 0.000 0.453 254 N N 1.407 120.102 118.700 -0.008 0.000 2.494 254 N HA 0.096 4.848 4.740 0.020 0.000 0.182 254 N C -0.886 174.623 175.510 -0.001 0.000 1.076 254 N CA 0.816 53.862 53.050 -0.006 0.000 0.908 254 N CB 0.068 38.552 38.487 -0.004 0.000 0.967 254 N HN 0.548 nan 8.380 nan 0.000 0.449 255 D N 0.541 120.941 120.400 0.001 0.000 2.542 255 D HA 0.138 4.790 4.640 0.020 0.000 0.252 255 D C -0.276 176.027 176.300 0.005 0.000 1.222 255 D CA -0.364 53.641 54.000 0.008 0.000 0.895 255 D CB 2.581 43.388 40.800 0.011 0.000 1.207 255 D HN -0.172 nan 8.370 nan 0.000 0.558 256 V N 0.929 120.846 119.914 0.005 0.000 2.407 256 V HA 0.426 4.558 4.120 0.020 0.000 0.278 256 V C -0.206 175.897 176.094 0.014 0.000 1.037 256 V CA -0.801 61.503 62.300 0.007 0.000 0.900 256 V CB 0.906 32.725 31.823 -0.008 0.000 0.983 256 V HN 0.424 nan 8.190 nan 0.000 0.459 257 Y N 7.026 127.263 120.300 -0.104 0.000 2.411 257 Y HA 0.623 5.185 4.550 0.020 0.000 0.333 257 Y C -0.337 175.485 175.900 -0.131 0.000 1.186 257 Y CA -0.414 57.603 58.100 -0.137 0.000 1.381 257 Y CB 1.021 39.370 38.460 -0.186 0.000 1.273 257 Y HN 0.898 nan 8.280 nan 0.000 0.546 258 L N 4.299 125.038 121.223 -0.807 0.000 2.445 258 L HA 0.675 5.027 4.340 0.020 0.000 0.262 258 L C -3.021 173.128 176.870 -1.202 0.000 0.974 258 L CA -2.692 51.644 54.840 -0.840 0.000 0.822 258 L CB 1.638 43.484 42.059 -0.356 0.000 1.339 258 L HN 0.363 nan 8.230 nan 0.000 0.409 259 P HA 0.050 nan 4.420 nan 0.000 0.260 259 P C -0.412 176.647 177.300 -0.401 0.000 1.172 259 P CA -0.061 62.555 63.100 -0.807 0.000 0.760 259 P CB 0.272 31.338 31.700 -1.056 0.000 0.773 260 R N 3.798 124.162 120.500 -0.226 0.000 2.705 260 R HA -0.107 4.245 4.340 0.020 0.000 0.264 260 R C 0.889 177.219 176.300 0.050 0.000 0.988 260 R CA 1.013 57.078 56.100 -0.058 0.000 1.103 260 R CB -0.668 29.678 30.300 0.077 0.000 0.950 260 R HN 0.654 nan 8.270 nan 0.000 0.427 261 D N 0.161 120.619 120.400 0.096 0.000 2.705 261 D HA -0.197 4.455 4.640 0.020 0.000 0.187 261 D C 0.768 176.972 176.300 -0.160 0.000 1.015 261 D CA 1.603 55.660 54.000 0.095 0.000 1.030 261 D CB -0.660 40.306 40.800 0.278 0.000 1.100 261 D HN 0.558 nan 8.370 nan 0.000 0.439 262 E N 0.237 120.401 120.200 -0.059 0.000 2.442 262 E HA 0.325 4.686 4.350 0.020 0.000 0.195 262 E C 0.344 176.971 176.600 0.046 0.000 1.030 262 E CA 0.924 57.361 56.400 0.063 0.000 0.869 262 E CB 0.297 30.034 29.700 0.063 0.000 0.857 262 E HN 0.478 nan 8.360 nan 0.000 0.505 263 A N 0.515 123.258 122.820 -0.130 0.000 2.253 263 A HA 0.500 4.832 4.320 0.020 0.000 0.316 263 A C -0.997 176.494 177.584 -0.155 0.000 1.327 263 A CA -0.448 51.571 52.037 -0.029 0.000 0.917 263 A CB -0.142 18.813 19.000 -0.074 0.000 1.162 263 A HN 0.081 nan 8.150 nan 0.000 0.535 264 F N 2.079 122.037 119.950 0.013 0.000 2.404 264 F HA 0.516 5.054 4.527 0.018 0.000 0.354 264 F C 1.246 176.817 175.800 -0.381 0.000 1.122 264 F CA -0.036 57.901 58.000 -0.106 0.000 1.080 264 F CB 1.859 40.796 39.000 -0.106 0.000 1.131 264 F HN 0.687 nan 8.300 nan 0.000 0.471 265 G N 2.282 110.956 108.800 -0.212 0.000 2.634 265 G HA2 0.370 4.342 3.960 0.020 0.000 0.255 265 G HA3 0.370 4.342 3.960 0.020 0.000 0.255 265 G C -0.873 173.488 174.900 -0.899 0.000 1.205 265 G CA -0.238 44.688 45.100 -0.290 0.000 0.884 265 G HN 0.650 nan 8.290 nan 0.000 0.549 266 H N -0.392 118.526 119.070 -0.254 0.000 2.980 266 H HA 0.278 4.847 4.556 0.021 0.000 0.367 266 H C -0.094 175.236 175.328 0.003 0.000 1.206 266 H CA -0.687 55.157 56.048 -0.341 0.000 1.126 266 H CB 2.071 31.314 29.762 -0.865 0.000 1.838 266 H HN 0.293 nan 8.280 nan 0.000 0.552 267 L N 0.334 121.637 121.223 0.132 0.000 2.513 267 L HA 0.194 4.546 4.340 0.020 0.000 0.222 267 L C 0.251 177.216 176.870 0.158 0.000 1.096 267 L CA 1.272 56.195 54.840 0.139 0.000 0.857 267 L CB 0.072 42.183 42.059 0.086 0.000 1.026 267 L HN 0.350 nan 8.230 nan 0.000 0.469 268 K N -1.824 118.673 120.400 0.162 0.000 2.482 268 K HA 0.454 4.786 4.320 0.020 0.000 0.257 268 K C -0.813 175.912 176.600 0.209 0.000 0.969 268 K CA -0.591 55.785 56.287 0.147 0.000 0.842 268 K CB 2.445 34.992 32.500 0.078 0.000 1.359 268 K HN -0.300 nan 8.250 nan 0.000 0.441 269 S N -0.179 115.648 115.700 0.211 0.000 2.690 269 S HA 0.393 4.874 4.470 0.020 0.000 0.291 269 S C 0.549 175.221 174.600 0.121 0.000 1.138 269 S CA 0.420 58.778 58.200 0.263 0.000 1.013 269 S CB 1.183 64.524 63.200 0.234 0.000 1.053 269 S HN 0.794 nan 8.310 nan 0.000 0.539 270 S N 0.860 116.631 115.700 0.120 0.000 2.044 270 S HA -0.129 4.353 4.470 0.020 0.000 0.248 270 S C 0.543 175.128 174.600 -0.024 0.000 1.146 270 S CA 1.255 59.481 58.200 0.044 0.000 1.370 270 S CB -1.900 61.306 63.200 0.010 0.000 1.698 270 S HN 0.792 nan 8.310 nan 0.000 0.578 271 D N 0.109 120.450 120.400 -0.097 0.000 2.317 271 D HA 0.207 4.858 4.640 0.020 0.000 0.211 271 D C 0.648 176.552 176.300 -0.659 0.000 0.966 271 D CA 0.614 54.383 54.000 -0.385 0.000 0.876 271 D CB -0.258 40.270 40.800 -0.453 0.000 0.927 271 D HN 0.566 nan 8.370 nan 0.000 0.519 272 F N 1.036 120.873 119.950 -0.189 0.000 2.783 272 F HA 0.170 4.707 4.527 0.017 0.000 0.338 272 F C 1.572 177.408 175.800 0.059 0.000 1.178 272 F CA -0.176 57.819 58.000 -0.010 0.000 1.343 272 F CB -0.484 38.560 39.000 0.074 0.000 1.496 272 F HN -0.144 nan 8.300 nan 0.000 0.583 273 L N -0.187 121.074 121.223 0.064 0.000 2.351 273 L HA -0.245 4.107 4.340 0.020 0.000 0.220 273 L C 2.395 179.356 176.870 0.151 0.000 1.127 273 L CA 1.555 56.447 54.840 0.086 0.000 0.786 273 L CB -0.918 41.156 42.059 0.025 0.000 0.914 273 L HN 0.443 nan 8.230 nan 0.000 0.443 274 T N -3.896 110.791 114.554 0.222 0.000 2.777 274 T HA -0.245 4.116 4.350 0.020 0.000 0.266 274 T C 1.772 176.612 174.700 0.232 0.000 1.040 274 T CA 0.920 63.158 62.100 0.230 0.000 1.141 274 T CB -0.555 68.482 68.868 0.281 0.000 0.868 274 T HN 0.176 nan 8.240 nan 0.000 0.444 275 Y N 2.516 122.918 120.300 0.170 0.000 2.224 275 Y HA 0.090 4.649 4.550 0.014 0.000 0.289 275 Y C 2.764 178.718 175.900 0.091 0.000 1.146 275 Y CA 0.821 58.996 58.100 0.125 0.000 1.182 275 Y CB -0.973 37.568 38.460 0.135 0.000 0.983 275 Y HN 0.309 nan 8.280 nan 0.000 0.524 276 G N -0.138 108.774 108.800 0.188 0.000 2.491 276 G HA2 -0.256 3.716 3.960 0.020 0.000 0.218 276 G HA3 -0.256 3.716 3.960 0.020 0.000 0.218 276 G C 1.511 176.440 174.900 0.050 0.000 1.180 276 G CA 1.231 46.382 45.100 0.085 0.000 0.774 276 G HN 0.260 nan 8.290 nan 0.000 0.562 277 L N 0.634 121.889 121.223 0.053 0.000 2.056 277 L HA 0.081 4.433 4.340 0.020 0.000 0.207 277 L C 2.601 179.471 176.870 0.001 0.000 1.078 277 L CA 1.501 56.364 54.840 0.038 0.000 0.749 277 L CB -1.249 40.839 42.059 0.048 0.000 0.901 277 L HN 0.261 nan 8.230 nan 0.000 0.433 278 K N -0.370 120.004 120.400 -0.045 0.000 2.026 278 K HA -0.128 4.204 4.320 0.020 0.000 0.208 278 K C 2.146 178.675 176.600 -0.117 0.000 1.048 278 K CA 1.626 57.852 56.287 -0.102 0.000 0.929 278 K CB 0.165 32.553 32.500 -0.187 0.000 0.713 278 K HN 0.165 nan 8.250 nan 0.000 0.439 279 S N 0.237 115.848 115.700 -0.148 0.000 2.428 279 S HA -0.071 4.411 4.470 0.020 0.000 0.230 279 S C 1.791 176.401 174.600 0.017 0.000 1.014 279 S CA 0.584 58.733 58.200 -0.084 0.000 0.957 279 S CB 0.124 63.279 63.200 -0.075 0.000 0.784 279 S HN 0.109 nan 8.310 nan 0.000 0.499 280 V N 1.521 121.468 119.914 0.056 0.000 2.358 280 V HA -0.139 3.992 4.120 0.020 0.000 0.246 280 V C 2.257 178.387 176.094 0.060 0.000 1.047 280 V CA 1.918 64.287 62.300 0.115 0.000 1.035 280 V CB -0.493 31.420 31.823 0.150 0.000 0.658 280 V HN 0.453 nan 8.190 nan 0.000 0.452 281 S N -1.223 114.491 115.700 0.024 0.000 2.395 281 S HA -0.183 4.299 4.470 0.020 0.000 0.225 281 S C 1.836 176.441 174.600 0.007 0.000 1.027 281 S CA 1.096 59.301 58.200 0.008 0.000 0.965 281 S CB -0.190 63.003 63.200 -0.011 0.000 0.812 281 S HN 0.534 nan 8.310 nan 0.000 0.482 282 Q N 1.627 121.421 119.800 -0.009 0.000 1.993 282 Q HA -0.028 4.324 4.340 0.020 0.000 0.202 282 Q C 1.563 177.567 176.000 0.007 0.000 0.984 282 Q CA 2.027 57.822 55.803 -0.013 0.000 0.837 282 Q CB -0.107 28.606 28.738 -0.043 0.000 0.902 282 Q HN 0.653 nan 8.270 nan 0.000 0.423 283 N N -1.995 116.714 118.700 0.014 0.000 2.607 283 N HA 0.040 4.792 4.740 0.020 0.000 0.207 283 N C 1.533 177.069 175.510 0.043 0.000 1.040 283 N CA 0.664 53.730 53.050 0.026 0.000 0.947 283 N CB 0.148 38.650 38.487 0.024 0.000 1.293 283 N HN -0.078 nan 8.380 nan 0.000 0.446 284 V N 1.868 121.815 119.914 0.055 0.000 2.295 284 V HA -0.164 3.968 4.120 0.020 0.000 0.246 284 V C 2.204 178.346 176.094 0.080 0.000 1.049 284 V CA 1.368 63.699 62.300 0.050 0.000 1.024 284 V CB -0.586 31.272 31.823 0.060 0.000 0.648 284 V HN 0.302 nan 8.190 nan 0.000 0.447 285 L N 0.026 121.303 121.223 0.089 0.000 2.046 285 L HA -0.096 4.256 4.340 0.020 0.000 0.208 285 L C 0.000 177.000 176.870 0.215 0.000 1.077 285 L CA 1.960 56.886 54.840 0.144 0.000 0.747 285 L CB -1.122 40.983 42.059 0.077 0.000 0.896 285 L HN 0.326 nan 8.230 nan 0.000 0.432 286 P HA -0.174 nan 4.420 nan 0.000 0.215 286 P C 1.818 179.167 177.300 0.082 0.000 1.157 286 P CA 1.482 64.639 63.100 0.095 0.000 0.863 286 P CB 0.048 31.781 31.700 0.055 0.000 0.787 287 L N -1.958 119.310 121.223 0.075 0.000 2.093 287 L HA -0.134 4.217 4.340 0.020 0.000 0.208 287 L C 2.383 179.306 176.870 0.089 0.000 1.085 287 L CA 0.913 55.789 54.840 0.059 0.000 0.755 287 L CB -0.914 41.168 42.059 0.038 0.000 0.904 287 L HN -0.023 nan 8.230 nan 0.000 0.435 288 L N -0.292 121.023 121.223 0.152 0.000 2.072 288 L HA -0.195 4.156 4.340 0.020 0.000 0.205 288 L C 2.713 179.757 176.870 0.291 0.000 1.079 288 L CA 1.438 56.432 54.840 0.256 0.000 0.752 288 L CB -0.407 41.858 42.059 0.343 0.000 0.906 288 L HN 0.260 nan 8.230 nan 0.000 0.436 289 Q N -0.855 119.041 119.800 0.161 0.000 2.096 289 Q HA -0.278 4.073 4.340 0.020 0.000 0.208 289 Q C 2.150 178.046 176.000 -0.173 0.000 0.993 289 Q CA 2.487 58.088 55.803 -0.336 0.000 0.862 289 Q CB -0.124 28.496 28.738 -0.196 0.000 0.915 289 Q HN 0.580 nan 8.270 nan 0.000 0.416 290 S N 0.399 116.075 115.700 -0.041 0.000 2.380 290 S HA -0.244 4.237 4.470 0.020 0.000 0.229 290 S C 1.930 176.516 174.600 -0.022 0.000 1.043 290 S CA 1.222 59.406 58.200 -0.025 0.000 1.038 290 S CB -0.458 62.745 63.200 0.007 0.000 0.872 290 S HN 0.608 nan 8.310 nan 0.000 0.456 291 A N 0.188 123.011 122.820 0.004 0.000 2.015 291 A HA 0.058 4.390 4.320 0.020 0.000 0.219 291 A C 1.744 179.138 177.584 -0.317 0.000 1.163 291 A CA 1.031 53.004 52.037 -0.107 0.000 0.646 291 A CB -0.631 18.295 19.000 -0.125 0.000 0.806 291 A HN 0.493 nan 8.150 nan 0.000 0.448 292 F N 0.159 120.006 119.950 -0.171 0.000 2.335 292 F HA -0.002 4.536 4.527 0.017 0.000 0.296 292 F C 1.667 177.342 175.800 -0.208 0.000 1.091 292 F CA 1.012 58.886 58.000 -0.210 0.000 1.399 292 F CB -0.060 38.739 39.000 -0.335 0.000 1.067 292 F HN 0.144 nan 8.300 nan 0.000 0.520 293 D N 0.213 120.578 120.400 -0.058 0.000 2.312 293 D HA -0.065 4.587 4.640 0.020 0.000 0.211 293 D C 1.911 178.153 176.300 -0.095 0.000 0.964 293 D CA 0.691 54.642 54.000 -0.083 0.000 0.877 293 D CB -0.002 40.745 40.800 -0.088 0.000 0.924 293 D HN 0.275 nan 8.370 nan 0.000 0.515 294 L N -0.979 120.170 121.223 -0.123 0.000 2.597 294 L HA 0.195 4.547 4.340 0.020 0.000 0.188 294 L C 1.136 177.858 176.870 -0.246 0.000 1.333 294 L CA 0.349 55.088 54.840 -0.169 0.000 1.543 294 L CB 0.451 42.413 42.059 -0.161 0.000 1.504 294 L HN -0.139 nan 8.230 nan 0.000 0.813 295 N N -2.998 115.487 118.700 -0.357 0.000 2.004 295 N HA -0.084 4.667 4.740 0.020 0.000 0.282 295 N C 1.249 176.492 175.510 -0.444 0.000 1.294 295 N CA 0.086 52.899 53.050 -0.395 0.000 0.738 295 N CB 0.107 38.352 38.487 -0.404 0.000 1.528 295 N HN 0.163 nan 8.380 nan 0.000 0.642 296 F N 2.467 122.309 119.950 -0.179 0.000 2.250 296 F HA -0.015 4.527 4.527 0.026 0.000 0.301 296 F C 1.258 176.931 175.800 -0.211 0.000 1.077 296 F CA 1.244 59.147 58.000 -0.162 0.000 1.348 296 F CB -0.364 38.556 39.000 -0.134 0.000 1.040 296 F HN -0.052 nan 8.300 nan 0.000 0.509 297 T N -0.286 114.129 114.554 -0.231 0.000 2.824 297 T HA 0.382 4.744 4.350 0.020 0.000 0.280 297 T C -2.508 171.969 174.700 -0.372 0.000 0.995 297 T CA -2.288 59.598 62.100 -0.357 0.000 1.009 297 T CB 1.738 70.178 68.868 -0.714 0.000 0.955 297 T HN -0.251 nan 8.240 nan 0.000 0.452 298 P HA 0.165 nan 4.420 nan 0.000 0.268 298 P C 0.176 177.436 177.300 -0.067 0.000 1.208 298 P CA -0.362 62.667 63.100 -0.119 0.000 0.777 298 P CB 1.140 32.810 31.700 -0.050 0.000 0.875 299 R N -0.052 120.463 120.500 0.025 0.000 2.280 299 R HA 0.138 4.490 4.340 0.020 0.000 0.195 299 R C 0.413 176.723 176.300 0.017 0.000 0.935 299 R CA 0.451 56.649 56.100 0.164 0.000 1.033 299 R CB 0.279 30.656 30.300 0.128 0.000 0.964 299 R HN 0.522 nan 8.270 nan 0.000 0.489 300 E N -0.402 119.770 120.200 -0.048 0.000 2.343 300 E HA 0.308 4.670 4.350 0.020 0.000 0.270 300 E C -1.439 175.117 176.600 -0.074 0.000 0.895 300 E CA -0.677 55.672 56.400 -0.085 0.000 0.767 300 E CB 1.168 30.867 29.700 -0.003 0.000 1.248 300 E HN -0.165 nan 8.360 nan 0.000 0.440 301 F N 1.920 121.911 119.950 0.069 0.000 2.420 301 F HA 0.204 4.742 4.527 0.017 0.000 0.352 301 F C 1.251 177.096 175.800 0.075 0.000 1.108 301 F CA -0.172 57.871 58.000 0.071 0.000 1.162 301 F CB 0.911 39.951 39.000 0.066 0.000 1.118 301 F HN 0.433 nan 8.300 nan 0.000 0.510 302 D N 1.187 121.735 120.400 0.246 0.000 2.328 302 D HA 0.043 4.695 4.640 0.020 0.000 0.221 302 D C -0.033 176.353 176.300 0.144 0.000 1.072 302 D CA 0.489 54.583 54.000 0.157 0.000 0.850 302 D CB 0.309 41.170 40.800 0.101 0.000 0.922 302 D HN 0.485 nan 8.370 nan 0.000 0.516 303 S N -1.341 114.473 115.700 0.190 0.000 2.597 303 S HA 0.160 4.642 4.470 0.020 0.000 0.274 303 S C 0.212 174.971 174.600 0.264 0.000 1.132 303 S CA -0.735 57.553 58.200 0.148 0.000 0.835 303 S CB 0.357 63.613 63.200 0.093 0.000 1.092 303 S HN -0.239 nan 8.310 nan 0.000 0.457 304 F N 1.886 121.882 119.950 0.078 0.000 2.216 304 F HA -0.016 4.522 4.527 0.020 0.000 0.300 304 F C 2.094 177.967 175.800 0.122 0.000 1.085 304 F CA 1.045 59.097 58.000 0.088 0.000 1.326 304 F CB -1.063 38.051 39.000 0.190 0.000 1.027 304 F HN 0.666 nan 8.300 nan 0.000 0.497 305 D N -0.086 120.497 120.400 0.305 0.000 2.117 305 D HA -0.212 4.439 4.640 0.020 0.000 0.197 305 D C 2.025 178.382 176.300 0.095 0.000 0.987 305 D CA 1.136 55.254 54.000 0.197 0.000 0.829 305 D CB -0.395 40.477 40.800 0.119 0.000 0.961 305 D HN 0.407 nan 8.370 nan 0.000 0.460 306 E N 0.502 120.748 120.200 0.077 0.000 2.268 306 E HA -0.104 4.258 4.350 0.020 0.000 0.195 306 E C 2.026 178.531 176.600 -0.159 0.000 0.995 306 E CA 0.301 56.735 56.400 0.058 0.000 0.836 306 E CB 0.360 30.171 29.700 0.186 0.000 0.763 306 E HN 0.029 nan 8.360 nan 0.000 0.491 307 V N 0.357 120.034 119.914 -0.395 0.000 2.331 307 V HA -0.171 3.961 4.120 0.020 0.000 0.242 307 V C 2.036 177.759 176.094 -0.618 0.000 1.034 307 V CA 1.415 63.231 62.300 -0.808 0.000 1.027 307 V CB -0.568 30.730 31.823 -0.876 0.000 0.667 307 V HN 0.394 nan 8.190 nan 0.000 0.457 308 H N 0.656 119.508 119.070 -0.362 0.000 2.457 308 H HA -0.104 4.464 4.556 0.019 0.000 0.297 308 H C 2.317 177.283 175.328 -0.604 0.000 1.092 308 H CA 1.523 57.309 56.048 -0.435 0.000 1.309 308 H CB -0.382 29.342 29.762 -0.064 0.000 1.382 308 H HN 0.503 nan 8.280 nan 0.000 0.535 309 G N 0.618 109.275 108.800 -0.238 0.000 2.679 309 G HA2 -0.125 3.847 3.960 0.020 0.000 0.212 309 G HA3 -0.125 3.847 3.960 0.020 0.000 0.212 309 G C 1.686 176.464 174.900 -0.203 0.000 1.137 309 G CA -0.037 44.969 45.100 -0.156 0.000 0.787 309 G HN 0.230 nan 8.290 nan 0.000 0.534 310 L N 0.582 121.584 121.223 -0.367 0.000 2.291 310 L HA 0.122 4.474 4.340 0.020 0.000 0.214 310 L C 1.727 178.587 176.870 -0.015 0.000 1.120 310 L CA 0.955 55.707 54.840 -0.146 0.000 0.799 310 L CB -0.501 41.462 42.059 -0.160 0.000 0.925 310 L HN 0.534 nan 8.230 nan 0.000 0.446 311 Y N -4.367 116.033 120.300 0.167 0.000 2.612 311 Y HA 0.520 5.080 4.550 0.016 0.000 0.250 311 Y C 1.657 177.634 175.900 0.127 0.000 1.175 311 Y CA -0.106 58.104 58.100 0.184 0.000 1.205 311 Y CB -1.025 37.551 38.460 0.193 0.000 1.201 311 Y HN -0.051 nan 8.280 nan 0.000 0.532 312 S N 0.338 116.095 115.700 0.095 0.000 2.433 312 S HA 0.217 4.699 4.470 0.020 0.000 0.216 312 S C 1.899 176.548 174.600 0.081 0.000 1.031 312 S CA 0.691 58.955 58.200 0.107 0.000 0.931 312 S CB -0.407 62.826 63.200 0.055 0.000 0.875 312 S HN 0.589 nan 8.310 nan 0.000 0.553 313 G N 0.110 108.942 108.800 0.053 0.000 2.944 313 G HA2 0.516 4.488 3.960 0.020 0.000 0.220 313 G HA3 0.516 4.488 3.960 0.020 0.000 0.220 313 G C 0.644 175.581 174.900 0.062 0.000 1.100 313 G CA 0.271 45.403 45.100 0.053 0.000 0.780 313 G HN 0.879 nan 8.290 nan 0.000 0.539 314 G N -0.065 108.785 108.800 0.083 0.000 2.741 314 G HA2 -0.167 3.805 3.960 0.020 0.000 0.222 314 G HA3 -0.167 3.805 3.960 0.020 0.000 0.222 314 G C -0.363 174.605 174.900 0.114 0.000 1.364 314 G CA -0.143 45.025 45.100 0.113 0.000 0.866 314 G HN 0.893 nan 8.290 nan 0.000 0.555 315 I N 0.400 121.047 120.570 0.130 0.000 2.330 315 I HA 0.480 4.661 4.170 0.020 0.000 0.286 315 I C 0.785 176.940 176.117 0.062 0.000 1.025 315 I CA -0.789 60.587 61.300 0.127 0.000 1.197 315 I CB 0.519 38.643 38.000 0.207 0.000 1.358 315 I HN 0.536 nan 8.210 nan 0.000 0.467 316 K N 6.720 127.146 120.400 0.044 0.000 2.319 316 K HA 0.107 4.438 4.320 0.020 0.000 0.277 316 K C -1.122 175.471 176.600 -0.012 0.000 1.111 316 K CA 0.237 56.528 56.287 0.008 0.000 1.093 316 K CB 0.124 32.632 32.500 0.013 0.000 0.910 316 K HN 0.494 nan 8.250 nan 0.000 0.452 317 L N 6.822 128.020 121.223 -0.040 0.000 2.371 317 L HA 0.565 4.917 4.340 0.020 0.000 0.262 317 L C -2.412 174.381 176.870 -0.129 0.000 1.006 317 L CA -2.283 52.522 54.840 -0.059 0.000 0.818 317 L CB 2.147 44.191 42.059 -0.025 0.000 1.354 317 L HN 0.474 nan 8.230 nan 0.000 0.415 318 P HA 0.135 nan 4.420 nan 0.000 0.272 318 P C -0.191 177.024 177.300 -0.142 0.000 1.230 318 P CA -0.123 62.825 63.100 -0.253 0.000 0.788 318 P CB 0.423 31.896 31.700 -0.378 0.000 0.949 319 T N -0.885 113.592 114.554 -0.129 0.000 3.113 319 T HA -0.055 4.307 4.350 0.020 0.000 0.263 319 T C 0.991 175.658 174.700 -0.055 0.000 1.143 319 T CA 0.936 62.989 62.100 -0.079 0.000 1.090 319 T CB -0.583 68.242 68.868 -0.071 0.000 0.922 319 T HN 0.478 nan 8.240 nan 0.000 0.521 320 D N 0.639 121.004 120.400 -0.058 0.000 2.317 320 D HA 0.034 4.686 4.640 0.020 0.000 0.211 320 D C 1.326 177.615 176.300 -0.019 0.000 0.966 320 D CA 0.765 54.746 54.000 -0.030 0.000 0.876 320 D CB 0.235 41.023 40.800 -0.021 0.000 0.927 320 D HN 0.396 nan 8.370 nan 0.000 0.519 321 I N 0.006 120.558 120.570 -0.029 0.000 3.196 321 I HA -0.054 4.128 4.170 0.020 0.000 0.248 321 I C 2.085 178.180 176.117 -0.038 0.000 1.105 321 I CA 0.035 61.322 61.300 -0.023 0.000 1.482 321 I CB -0.450 37.541 38.000 -0.015 0.000 1.400 321 I HN -0.218 nan 8.210 nan 0.000 0.464 322 I N 0.789 121.328 120.570 -0.051 0.000 2.113 322 I HA -0.381 3.801 4.170 0.020 0.000 0.242 322 I C 2.521 178.621 176.117 -0.027 0.000 1.057 322 I CA 1.867 63.138 61.300 -0.048 0.000 1.314 322 I CB -0.614 37.355 38.000 -0.052 0.000 1.022 322 I HN 0.132 nan 8.210 nan 0.000 0.408 323 S N -0.428 115.259 115.700 -0.021 0.000 2.428 323 S HA -0.109 4.372 4.470 0.020 0.000 0.230 323 S C 1.858 176.459 174.600 0.003 0.000 1.014 323 S CA 0.820 59.017 58.200 -0.007 0.000 0.957 323 S CB -0.169 63.027 63.200 -0.008 0.000 0.784 323 S HN 0.420 nan 8.310 nan 0.000 0.499 324 K N 1.233 121.632 120.400 -0.002 0.000 2.103 324 K HA 0.036 4.368 4.320 0.020 0.000 0.204 324 K C 1.085 177.694 176.600 0.015 0.000 1.052 324 K CA 0.892 57.184 56.287 0.008 0.000 0.945 324 K CB -0.237 32.266 32.500 0.004 0.000 0.722 324 K HN 0.511 nan 8.250 nan 0.000 0.443 325 I N -1.471 119.099 120.570 -0.000 0.000 2.682 325 I HA 0.241 4.423 4.170 0.020 0.000 0.302 325 I C 0.576 176.714 176.117 0.035 0.000 1.180 325 I CA -0.267 61.038 61.300 0.007 0.000 1.146 325 I CB 1.002 38.959 38.000 -0.072 0.000 1.756 325 I HN -0.099 nan 8.210 nan 0.000 0.559 326 S N 3.314 119.048 115.700 0.056 0.000 3.889 326 S HA 0.362 4.844 4.470 0.020 0.000 0.185 326 S C -1.145 173.504 174.600 0.082 0.000 0.937 326 S CA 0.260 58.505 58.200 0.076 0.000 0.985 326 S CB -0.315 62.911 63.200 0.043 0.000 1.299 326 S HN 0.455 nan 8.310 nan 0.000 0.673 327 P HA 0.145 nan 4.420 nan 0.000 0.234 327 P C -0.146 177.198 177.300 0.072 0.000 1.167 327 P CA 0.311 63.446 63.100 0.058 0.000 0.763 327 P CB -0.679 31.046 31.700 0.042 0.000 0.835 328 L N 1.662 122.938 121.223 0.087 0.000 2.615 328 L HA 0.232 4.584 4.340 0.020 0.000 0.271 328 L C -2.028 174.920 176.870 0.130 0.000 1.183 328 L CA -1.569 53.335 54.840 0.107 0.000 0.933 328 L CB -1.800 40.324 42.059 0.107 0.000 1.199 328 L HN -0.062 nan 8.230 nan 0.000 0.487 329 P HA 0.074 nan 4.420 nan 0.000 0.268 329 P C 0.906 178.313 177.300 0.177 0.000 1.208 329 P CA -0.216 62.961 63.100 0.129 0.000 0.777 329 P CB 1.418 33.161 31.700 0.072 0.000 0.875 330 V N -0.257 119.735 119.914 0.131 0.000 0.413 330 V HA -0.306 3.826 4.120 0.020 0.000 0.087 330 V C 1.298 177.418 176.094 0.043 0.000 2.753 330 V CA 2.012 64.386 62.300 0.123 0.000 3.809 330 V CB -1.997 29.954 31.823 0.213 0.000 1.090 330 V HN 0.418 nan 8.190 nan 0.000 1.133 331 L N 2.483 123.731 121.223 0.040 0.000 2.821 331 L HA 0.262 4.614 4.340 0.020 0.000 0.239 331 L C 0.699 177.531 176.870 -0.064 0.000 1.391 331 L CA 1.050 55.840 54.840 -0.082 0.000 1.231 331 L CB -0.669 41.429 42.059 0.065 0.000 1.598 331 L HN 0.561 nan 8.230 nan 0.000 0.428 332 K N -1.458 118.907 120.400 -0.059 0.000 2.182 332 K HA 0.462 4.794 4.320 0.020 0.000 0.262 332 K C 0.427 176.976 176.600 -0.085 0.000 0.957 332 K CA -0.722 55.549 56.287 -0.026 0.000 0.842 332 K CB 2.060 34.566 32.500 0.010 0.000 1.099 332 K HN -0.066 nan 8.250 nan 0.000 0.438 333 E N 0.994 121.152 120.200 -0.070 0.000 4.924 333 E HA -0.277 4.084 4.350 0.020 0.000 0.229 333 E C 1.030 177.532 176.600 -0.163 0.000 0.912 333 E CA 1.696 58.047 56.400 -0.082 0.000 1.857 333 E CB -0.967 28.696 29.700 -0.061 0.000 1.787 333 E HN 0.834 nan 8.360 nan 0.000 0.427 334 I N 0.467 120.859 120.570 -0.296 0.000 2.151 334 I HA -0.210 3.972 4.170 0.020 0.000 0.243 334 I C 1.201 177.018 176.117 -0.500 0.000 1.080 334 I CA 1.494 62.505 61.300 -0.482 0.000 1.339 334 I CB -0.246 37.304 38.000 -0.751 0.000 1.039 334 I HN 0.003 nan 8.210 nan 0.000 0.409 335 F N 1.255 121.119 119.950 -0.143 0.000 2.361 335 F HA 0.448 4.975 4.527 -0.001 0.000 0.364 335 F C 0.575 176.285 175.800 -0.149 0.000 1.117 335 F CA -1.171 56.690 58.000 -0.231 0.000 1.071 335 F CB 0.206 39.092 39.000 -0.189 0.000 1.188 335 F HN -0.215 nan 8.300 nan 0.000 0.464 336 R N 1.119 121.623 120.500 0.006 0.000 2.390 336 R HA 0.499 4.850 4.340 0.020 0.000 0.291 336 R C 0.182 176.493 176.300 0.018 0.000 1.070 336 R CA -0.287 55.820 56.100 0.011 0.000 1.014 336 R CB 1.320 31.628 30.300 0.013 0.000 1.007 336 R HN 0.611 nan 8.270 nan 0.000 0.466 337 T N -0.480 114.088 114.554 0.023 0.000 2.924 337 T HA 0.063 4.425 4.350 0.020 0.000 0.291 337 T C 0.500 175.207 174.700 0.013 0.000 1.045 337 T CA -0.712 61.395 62.100 0.013 0.000 1.015 337 T CB 1.671 70.548 68.868 0.016 0.000 1.103 337 T HN 0.628 nan 8.240 nan 0.000 0.496 338 D N 0.882 121.286 120.400 0.007 0.000 2.194 338 D HA 0.194 4.846 4.640 0.020 0.000 0.204 338 D C 1.458 177.761 176.300 0.005 0.000 0.964 338 D CA 2.168 56.173 54.000 0.008 0.000 0.846 338 D CB -0.136 40.666 40.800 0.004 0.000 0.962 338 D HN 0.851 nan 8.370 nan 0.000 0.490 339 G N -0.782 108.019 108.800 0.001 0.000 3.033 339 G HA2 -0.150 3.821 3.960 0.020 0.000 0.196 339 G HA3 -0.150 3.821 3.960 0.020 0.000 0.196 339 G C 0.233 175.127 174.900 -0.009 0.000 1.078 339 G CA 0.114 45.214 45.100 -0.000 0.000 0.805 339 G HN 0.432 nan 8.290 nan 0.000 0.472 340 E N -0.798 119.392 120.200 -0.016 0.000 2.458 340 E HA 0.501 4.863 4.350 0.020 0.000 0.278 340 E C -0.235 176.344 176.600 -0.035 0.000 1.004 340 E CA -0.721 55.661 56.400 -0.029 0.000 0.823 340 E CB 0.888 30.568 29.700 -0.033 0.000 1.396 340 E HN 0.012 nan 8.360 nan 0.000 0.463 341 Q N -1.415 118.353 119.800 -0.053 0.000 2.299 341 Q HA -0.252 4.100 4.340 0.020 0.000 0.291 341 Q C -1.144 174.834 176.000 -0.036 0.000 1.133 341 Q CA 1.499 57.266 55.803 -0.061 0.000 0.941 341 Q CB -1.846 26.848 28.738 -0.074 0.000 1.296 341 Q HN 0.470 nan 8.270 nan 0.000 0.531 342 A N -0.260 122.544 122.820 -0.027 0.000 2.518 342 A HA 0.579 4.910 4.320 0.020 0.000 0.295 342 A C -1.381 176.191 177.584 -0.020 0.000 1.052 342 A CA -0.762 51.270 52.037 -0.008 0.000 0.824 342 A CB 1.065 20.070 19.000 0.008 0.000 1.325 342 A HN 0.143 nan 8.150 nan 0.000 0.394 343 L N 2.791 123.997 121.223 -0.028 0.000 2.277 343 L HA 0.625 4.977 4.340 0.020 0.000 0.284 343 L C -0.162 176.667 176.870 -0.067 0.000 1.028 343 L CA 0.058 54.843 54.840 -0.092 0.000 0.835 343 L CB 0.671 42.636 42.059 -0.157 0.000 1.215 343 L HN 0.653 nan 8.230 nan 0.000 0.425 344 K N 4.077 124.437 120.400 -0.066 0.000 2.106 344 K HA 0.581 4.912 4.320 0.020 0.000 0.246 344 K C -1.137 175.370 176.600 -0.154 0.000 0.987 344 K CA -0.500 55.799 56.287 0.020 0.000 0.904 344 K CB 1.298 33.846 32.500 0.081 0.000 1.071 344 K HN 0.258 nan 8.250 nan 0.000 0.453 345 F N 1.353 121.442 119.950 0.230 0.000 2.538 345 F HA 0.350 4.899 4.527 0.037 0.000 0.325 345 F C -1.994 173.962 175.800 0.260 0.000 1.066 345 F CA -2.385 55.780 58.000 0.275 0.000 0.946 345 F CB 1.488 40.715 39.000 0.378 0.000 1.199 345 F HN 0.321 nan 8.300 nan 0.000 0.473 346 P HA 0.109 nan 4.420 nan 0.000 0.271 346 P C -2.686 174.733 177.300 0.198 0.000 1.216 346 P CA -1.396 61.821 63.100 0.195 0.000 0.776 346 P CB 0.111 31.828 31.700 0.028 0.000 0.881 347 P HA 0.068 nan 4.420 nan 0.000 0.263 347 P C -2.317 174.854 177.300 -0.216 0.000 1.195 347 P CA -1.099 61.704 63.100 -0.495 0.000 0.762 347 P CB -0.703 30.782 31.700 -0.358 0.000 0.799 348 P HA 0.127 nan 4.420 nan 0.000 0.275 348 P C 1.006 178.151 177.300 -0.258 0.000 1.227 348 P CA -0.310 62.671 63.100 -0.197 0.000 0.781 348 P CB 1.186 32.611 31.700 -0.458 0.000 0.906 349 K N 1.456 121.707 120.400 -0.248 0.000 2.127 349 K HA -0.121 4.211 4.320 0.020 0.000 0.208 349 K C 1.710 178.127 176.600 -0.306 0.000 1.047 349 K CA 1.212 57.310 56.287 -0.315 0.000 0.927 349 K CB -0.627 31.564 32.500 -0.515 0.000 0.716 349 K HN 0.205 nan 8.250 nan 0.000 0.450 350 V N 2.435 122.157 119.914 -0.321 0.000 2.546 350 V HA -0.190 3.942 4.120 0.020 0.000 0.254 350 V C 1.675 177.727 176.094 -0.069 0.000 1.076 350 V CA 1.722 63.910 62.300 -0.187 0.000 1.087 350 V CB -0.306 31.436 31.823 -0.136 0.000 0.674 350 V HN 0.347 nan 8.190 nan 0.000 0.470 351 I N -2.688 117.828 120.570 -0.091 0.000 3.974 351 I HA 0.187 4.369 4.170 0.020 0.000 0.334 351 I C 1.663 177.769 176.117 -0.018 0.000 1.437 351 I CA 0.420 61.727 61.300 0.013 0.000 1.113 351 I CB -0.652 37.426 38.000 0.130 0.000 1.063 351 I HN 0.294 nan 8.210 nan 0.000 0.400 352 Q N 0.874 120.630 119.800 -0.074 0.000 2.170 352 Q HA -0.044 4.308 4.340 0.020 0.000 0.203 352 Q C 2.087 178.072 176.000 -0.025 0.000 0.976 352 Q CA 1.580 57.348 55.803 -0.058 0.000 0.858 352 Q CB 0.411 29.098 28.738 -0.086 0.000 0.907 352 Q HN 0.534 nan 8.270 nan 0.000 0.433 353 V N -0.769 119.134 119.914 -0.019 0.000 2.581 353 V HA 0.022 4.154 4.120 0.020 0.000 0.240 353 V C 0.767 176.866 176.094 0.010 0.000 1.054 353 V CA 0.658 62.956 62.300 -0.004 0.000 1.076 353 V CB 1.110 32.931 31.823 -0.004 0.000 0.748 353 V HN 0.047 nan 8.190 nan 0.000 0.474 354 S N -0.856 114.857 115.700 0.023 0.000 2.561 354 S HA 0.411 4.893 4.470 0.020 0.000 0.303 354 S C 0.254 174.896 174.600 0.070 0.000 1.110 354 S CA -0.689 57.531 58.200 0.033 0.000 1.034 354 S CB 1.661 64.878 63.200 0.029 0.000 1.010 354 S HN 0.182 nan 8.310 nan 0.000 0.482 355 K N 1.979 122.415 120.400 0.059 0.000 2.439 355 K HA 0.100 4.431 4.320 0.020 0.000 0.197 355 K C 1.523 178.256 176.600 0.221 0.000 1.041 355 K CA 1.189 57.541 56.287 0.108 0.000 0.970 355 K CB 0.084 32.520 32.500 -0.106 0.000 0.773 355 K HN 0.603 nan 8.250 nan 0.000 0.479 356 S N -1.674 114.084 115.700 0.097 0.000 2.559 356 S HA 0.291 4.773 4.470 0.020 0.000 0.226 356 S C 1.850 176.359 174.600 -0.151 0.000 1.030 356 S CA 0.026 58.206 58.200 -0.034 0.000 0.956 356 S CB 0.577 63.743 63.200 -0.058 0.000 0.900 356 S HN 0.139 nan 8.310 nan 0.000 0.510 357 A N 2.607 125.421 122.820 -0.010 0.000 2.125 357 A HA -0.018 4.314 4.320 0.020 0.000 0.219 357 A C 1.855 179.447 177.584 0.014 0.000 1.156 357 A CA 1.091 53.122 52.037 -0.009 0.000 0.671 357 A CB -1.295 17.733 19.000 0.047 0.000 0.794 357 A HN 0.916 nan 8.150 nan 0.000 0.459 358 W N -0.857 120.454 121.300 0.018 0.000 2.364 358 W HA -0.149 4.524 4.660 0.021 0.000 0.281 358 W C 1.352 177.876 176.519 0.007 0.000 1.219 358 W CA 1.155 58.511 57.345 0.017 0.000 1.220 358 W CB -0.853 28.599 29.460 -0.013 0.000 1.127 358 W HN 0.290 nan 8.180 nan 0.000 0.556 359 M N 1.159 120.335 119.600 -0.706 0.000 2.562 359 M HA 0.004 4.496 4.480 0.020 0.000 0.257 359 M C 0.622 176.769 176.300 -0.255 0.000 1.099 359 M CA 0.874 55.745 55.300 -0.715 0.000 1.099 359 M CB -0.479 31.582 32.600 -0.898 0.000 1.427 359 M HN -0.300 nan 8.290 nan 0.000 0.489 360 T N 1.572 116.052 114.554 -0.123 0.000 2.902 360 T HA -0.057 4.305 4.350 0.020 0.000 0.301 360 T C 0.679 175.432 174.700 0.089 0.000 1.012 360 T CA -0.103 61.993 62.100 -0.007 0.000 1.151 360 T CB 0.601 69.475 68.868 0.009 0.000 0.946 360 T HN 0.199 nan 8.240 nan 0.000 0.542 361 D N 3.050 123.535 120.400 0.141 0.000 2.158 361 D HA -0.103 4.549 4.640 0.020 0.000 0.197 361 D C 1.942 178.400 176.300 0.264 0.000 0.995 361 D CA 1.350 55.507 54.000 0.261 0.000 0.846 361 D CB 0.080 41.060 40.800 0.300 0.000 0.941 361 D HN 0.642 nan 8.370 nan 0.000 0.456 362 E N 0.276 120.573 120.200 0.161 0.000 2.110 362 E HA -0.168 4.194 4.350 0.020 0.000 0.193 362 E C 1.890 178.553 176.600 0.105 0.000 0.988 362 E CA 1.009 57.477 56.400 0.112 0.000 0.804 362 E CB -0.078 29.666 29.700 0.074 0.000 0.745 362 E HN 0.199 nan 8.360 nan 0.000 0.458 363 E N 0.194 120.470 120.200 0.127 0.000 2.046 363 E HA -0.146 4.215 4.350 0.020 0.000 0.190 363 E C 1.693 178.380 176.600 0.144 0.000 0.982 363 E CA 0.847 57.326 56.400 0.131 0.000 0.800 363 E CB -0.399 29.396 29.700 0.157 0.000 0.756 363 E HN 0.300 nan 8.360 nan 0.000 0.449 364 F N 0.884 120.853 119.950 0.033 0.000 2.120 364 F HA -0.208 4.330 4.527 0.019 0.000 0.300 364 F C 1.963 177.754 175.800 -0.015 0.000 1.095 364 F CA 2.153 60.157 58.000 0.007 0.000 1.249 364 F CB -0.716 38.283 39.000 -0.001 0.000 0.995 364 F HN 0.094 nan 8.300 nan 0.000 0.480 365 A N 0.780 123.527 122.820 -0.122 0.000 1.930 365 A HA -0.129 4.202 4.320 0.020 0.000 0.217 365 A C 2.423 179.874 177.584 -0.221 0.000 1.175 365 A CA 1.292 53.177 52.037 -0.254 0.000 0.627 365 A CB -0.784 18.196 19.000 -0.034 0.000 0.815 365 A HN 0.419 nan 8.150 nan 0.000 0.443 366 R N 0.169 120.601 120.500 -0.113 0.000 2.092 366 R HA -0.091 4.260 4.340 0.020 0.000 0.231 366 R C 1.522 177.738 176.300 -0.141 0.000 1.119 366 R CA 1.544 57.584 56.100 -0.100 0.000 0.970 366 R CB -0.326 29.968 30.300 -0.011 0.000 0.864 366 R HN 0.691 nan 8.270 nan 0.000 0.440 367 E N -0.186 119.911 120.200 -0.172 0.000 2.472 367 E HA -0.113 4.248 4.350 0.020 0.000 0.200 367 E C 1.772 178.206 176.600 -0.276 0.000 1.046 367 E CA 0.561 56.805 56.400 -0.259 0.000 0.871 367 E CB 0.019 29.516 29.700 -0.338 0.000 0.806 367 E HN 0.370 nan 8.360 nan 0.000 0.533 368 M N -0.208 119.213 119.600 -0.298 0.000 2.419 368 M HA -0.061 4.431 4.480 0.020 0.000 0.264 368 M C 1.748 177.873 176.300 -0.291 0.000 1.082 368 M CA 1.098 56.219 55.300 -0.298 0.000 1.119 368 M CB 0.174 32.567 32.600 -0.346 0.000 1.398 368 M HN 0.145 nan 8.290 nan 0.000 0.453 369 L N -1.566 119.471 121.223 -0.309 0.000 2.467 369 L HA 0.263 4.615 4.340 0.020 0.000 0.213 369 L C 1.676 178.511 176.870 -0.058 0.000 1.053 369 L CA 0.135 54.775 54.840 -0.333 0.000 0.847 369 L CB -0.074 41.705 42.059 -0.467 0.000 1.075 369 L HN 0.101 nan 8.230 nan 0.000 0.479 370 A N 0.041 122.787 122.820 -0.124 0.000 2.610 370 A HA 0.615 4.947 4.320 0.020 0.000 0.291 370 A C 0.580 178.222 177.584 0.097 0.000 1.116 370 A CA 0.124 52.051 52.037 -0.184 0.000 0.963 370 A CB -0.176 18.726 19.000 -0.164 0.000 1.220 370 A HN 0.239 nan 8.150 nan 0.000 0.530 371 G N -1.542 107.239 108.800 -0.033 0.000 2.795 371 G HA2 0.408 4.380 3.960 0.020 0.000 0.267 371 G HA3 0.408 4.380 3.960 0.020 0.000 0.267 371 G C 0.899 175.781 174.900 -0.031 0.000 1.362 371 G CA 0.417 45.387 45.100 -0.217 0.000 1.048 371 G HN 0.376 nan 8.290 nan 0.000 0.547 372 V N -0.351 119.459 119.914 -0.173 0.000 2.594 372 V HA -0.018 4.114 4.120 0.020 0.000 0.253 372 V C 0.864 176.871 176.094 -0.145 0.000 1.069 372 V CA 1.988 64.214 62.300 -0.124 0.000 1.082 372 V CB -0.403 31.242 31.823 -0.297 0.000 0.680 372 V HN 0.554 nan 8.190 nan 0.000 0.469 373 N N -0.093 118.521 118.700 -0.143 0.000 2.791 373 N HA 0.352 5.104 4.740 0.020 0.000 0.265 373 N C -2.207 173.252 175.510 -0.084 0.000 1.580 373 N CA -1.358 51.695 53.050 0.005 0.000 0.809 373 N CB 1.468 39.990 38.487 0.058 0.000 1.178 373 N HN 0.242 nan 8.380 nan 0.000 0.499 374 P HA 0.161 nan 4.420 nan 0.000 0.262 374 P C 0.176 177.356 177.300 -0.199 0.000 1.304 374 P CA 0.323 63.309 63.100 -0.190 0.000 0.859 374 P CB 0.414 32.031 31.700 -0.139 0.000 1.310 375 N N -0.310 118.245 118.700 -0.242 0.000 2.236 375 N HA 0.034 4.786 4.740 0.020 0.000 0.196 375 N C 1.061 176.564 175.510 -0.012 0.000 1.114 375 N CA 0.157 53.102 53.050 -0.176 0.000 0.859 375 N CB -0.243 38.131 38.487 -0.189 0.000 0.982 375 N HN 0.004 nan 8.380 nan 0.000 0.493 376 L N -0.259 120.942 121.223 -0.037 0.000 2.717 376 L HA 0.506 4.858 4.340 0.020 0.000 0.239 376 L C 0.358 177.184 176.870 -0.074 0.000 1.086 376 L CA -0.047 54.754 54.840 -0.065 0.000 0.897 376 L CB -0.019 41.954 42.059 -0.143 0.000 1.214 376 L HN 0.045 nan 8.230 nan 0.000 0.508 377 I N 1.478 122.003 120.570 -0.075 0.000 2.872 377 I HA -0.007 4.175 4.170 0.020 0.000 0.291 377 I C -0.214 175.929 176.117 0.043 0.000 1.216 377 I CA 0.369 61.636 61.300 -0.055 0.000 1.424 377 I CB 0.187 38.088 38.000 -0.165 0.000 1.351 377 I HN 0.273 nan 8.210 nan 0.000 0.592 378 R N 5.431 126.000 120.500 0.115 0.000 2.725 378 R HA 0.369 4.721 4.340 0.020 0.000 0.277 378 R C -1.426 175.030 176.300 0.259 0.000 0.987 378 R CA -0.806 55.389 56.100 0.159 0.000 0.901 378 R CB 1.653 32.000 30.300 0.077 0.000 1.207 378 R HN 0.628 nan 8.270 nan 0.000 0.463 379 C N 3.502 122.922 119.300 0.200 0.000 2.566 379 C HA 0.256 4.728 4.460 0.020 0.000 0.393 379 C C 0.318 175.274 174.990 -0.056 0.000 1.309 379 C CA -0.477 58.514 59.018 -0.044 0.000 1.801 379 C CB -0.732 26.983 27.740 -0.040 0.000 2.493 379 C HN 0.591 nan 8.230 nan 0.000 0.575 380 L N 7.445 128.599 121.223 -0.115 0.000 2.462 380 L HA 0.239 4.590 4.340 0.020 0.000 0.272 380 L C 0.993 177.840 176.870 -0.039 0.000 1.166 380 L CA 1.012 55.834 54.840 -0.030 0.000 0.880 380 L CB 0.360 42.424 42.059 0.008 0.000 1.142 380 L HN 0.669 nan 8.230 nan 0.000 0.473 381 K N 1.918 122.317 120.400 -0.001 0.000 2.306 381 K HA 0.206 4.538 4.320 0.020 0.000 0.200 381 K C -0.388 176.229 176.600 0.029 0.000 1.083 381 K CA 0.548 56.836 56.287 0.000 0.000 0.959 381 K CB 0.091 32.592 32.500 0.002 0.000 0.994 381 K HN 0.815 nan 8.250 nan 0.000 0.492 382 D N -0.641 119.788 120.400 0.048 0.000 2.649 382 D HA 0.243 4.895 4.640 0.020 0.000 0.249 382 D C -0.872 175.500 176.300 0.120 0.000 1.112 382 D CA -0.624 53.423 54.000 0.079 0.000 0.850 382 D CB 0.926 41.753 40.800 0.045 0.000 1.399 382 D HN -0.168 nan 8.370 nan 0.000 0.503 383 F N 2.594 122.535 119.950 -0.015 0.000 2.379 383 F HA 0.500 5.039 4.527 0.019 0.000 0.332 383 F C -2.013 173.787 175.800 -0.001 0.000 1.096 383 F CA -1.823 56.171 58.000 -0.009 0.000 1.105 383 F CB 0.971 39.961 39.000 -0.017 0.000 1.189 383 F HN 0.242 nan 8.300 nan 0.000 0.515 384 P HA 0.312 nan 4.420 nan 0.000 0.282 384 P C -2.887 174.193 177.300 -0.368 0.000 1.249 384 P CA -1.610 60.931 63.100 -0.933 0.000 0.806 384 P CB 0.583 31.799 31.700 -0.807 0.000 0.984 385 P HA 0.089 nan 4.420 nan 0.000 0.266 385 P C 0.004 177.244 177.300 -0.100 0.000 1.193 385 P CA 0.460 63.493 63.100 -0.112 0.000 0.770 385 P CB 0.443 32.102 31.700 -0.067 0.000 0.836 386 R N 0.830 121.299 120.500 -0.052 0.000 2.782 386 R HA 0.646 4.998 4.340 0.020 0.000 0.258 386 R C 0.436 176.725 176.300 -0.020 0.000 1.055 386 R CA -0.832 55.247 56.100 -0.034 0.000 1.065 386 R CB 1.006 31.299 30.300 -0.012 0.000 1.172 386 R HN 0.406 nan 8.270 nan 0.000 0.510 387 S N -0.143 115.557 115.700 0.000 0.000 2.707 387 S HA 0.213 4.695 4.470 0.020 0.000 0.276 387 S C 0.032 174.659 174.600 0.045 0.000 1.179 387 S CA -0.546 57.688 58.200 0.056 0.000 0.992 387 S CB 0.850 64.128 63.200 0.131 0.000 1.030 387 S HN 0.597 nan 8.310 nan 0.000 0.554 388 K N 1.997 122.437 120.400 0.066 0.000 3.084 388 K HA 0.383 4.715 4.320 0.020 0.000 0.210 388 K C -1.157 175.462 176.600 0.031 0.000 1.137 388 K CA -0.149 56.161 56.287 0.039 0.000 1.010 388 K CB -0.029 32.501 32.500 0.049 0.000 0.806 388 K HN 0.585 nan 8.250 nan 0.000 0.460 389 L N 0.966 122.188 121.223 -0.001 0.000 2.325 389 L HA 0.244 4.596 4.340 0.020 0.000 0.279 389 L C 0.924 177.729 176.870 -0.109 0.000 1.054 389 L CA -0.611 54.202 54.840 -0.046 0.000 0.804 389 L CB 1.096 43.104 42.059 -0.085 0.000 1.200 389 L HN 0.257 nan 8.230 nan 0.000 0.436 390 D N 0.585 120.936 120.400 -0.082 0.000 1.998 390 D HA -0.134 4.518 4.640 0.020 0.000 0.237 390 D C 1.202 177.438 176.300 -0.106 0.000 1.289 390 D CA 0.897 54.852 54.000 -0.075 0.000 0.939 390 D CB 0.460 41.230 40.800 -0.049 0.000 1.437 390 D HN 0.675 nan 8.370 nan 0.000 0.544 391 S N -0.638 115.020 115.700 -0.070 0.000 2.559 391 S HA -0.203 4.279 4.470 0.020 0.000 0.250 391 S C 1.002 175.558 174.600 -0.074 0.000 0.977 391 S CA 0.781 58.946 58.200 -0.060 0.000 0.958 391 S CB -0.149 63.031 63.200 -0.034 0.000 0.751 391 S HN 0.286 nan 8.310 nan 0.000 0.534 392 Q N 1.251 120.972 119.800 -0.132 0.000 2.294 392 Q HA 0.331 4.683 4.340 0.020 0.000 0.256 392 Q C 0.512 176.396 176.000 -0.193 0.000 0.907 392 Q CA -0.089 55.645 55.803 -0.116 0.000 0.954 392 Q CB -0.511 28.179 28.738 -0.081 0.000 1.102 392 Q HN 0.467 nan 8.270 nan 0.000 0.429 393 V N -0.339 119.496 119.914 -0.131 0.000 4.724 393 V HA -0.320 3.812 4.120 0.020 0.000 0.213 393 V C 0.232 176.391 176.094 0.108 0.000 0.664 393 V CA 1.890 64.183 62.300 -0.011 0.000 0.759 393 V CB -2.529 29.350 31.823 0.093 0.000 0.671 393 V HN 0.631 nan 8.190 nan 0.000 0.814 394 Y N -2.405 117.926 120.300 0.053 0.000 2.499 394 Y HA 0.699 5.261 4.550 0.020 0.000 0.253 394 Y C 1.797 177.706 175.900 0.015 0.000 1.105 394 Y CA 0.143 58.205 58.100 -0.063 0.000 1.240 394 Y CB -0.192 38.167 38.460 -0.169 0.000 1.289 394 Y HN 0.090 nan 8.280 nan 0.000 0.534 395 G N 1.267 109.826 108.800 -0.401 0.000 2.395 395 G HA2 -0.106 3.865 3.960 0.020 0.000 0.214 395 G HA3 -0.106 3.865 3.960 0.020 0.000 0.214 395 G C 0.564 175.431 174.900 -0.055 0.000 1.177 395 G CA 0.711 45.701 45.100 -0.183 0.000 0.794 395 G HN 0.421 nan 8.290 nan 0.000 0.532 396 D N 0.193 120.561 120.400 -0.053 0.000 2.994 396 D HA 0.260 4.912 4.640 0.020 0.000 0.240 396 D C 0.248 176.604 176.300 0.094 0.000 1.195 396 D CA 0.176 54.178 54.000 0.004 0.000 0.957 396 D CB 0.265 41.056 40.800 -0.016 0.000 1.105 396 D HN 0.581 nan 8.370 nan 0.000 0.477 397 H N -1.002 118.054 119.070 -0.024 0.000 3.151 397 H HA 0.127 4.695 4.556 0.020 0.000 0.241 397 H C -0.827 174.498 175.328 -0.006 0.000 1.566 397 H CA -0.328 55.722 56.048 0.003 0.000 1.254 397 H CB 0.612 30.401 29.762 0.046 0.000 1.875 397 H HN 0.159 nan 8.280 nan 0.000 0.797 398 T N -1.130 113.561 114.554 0.228 0.000 2.653 398 T HA 0.330 4.692 4.350 0.020 0.000 0.306 398 T C -1.119 173.549 174.700 -0.053 0.000 1.426 398 T CA -0.674 61.454 62.100 0.047 0.000 1.008 398 T CB 0.964 69.846 68.868 0.023 0.000 1.692 398 T HN 0.437 nan 8.240 nan 0.000 0.483 399 S N 1.158 116.786 115.700 -0.120 0.000 2.510 399 S HA 0.169 4.651 4.470 0.020 0.000 0.279 399 S C 0.589 175.126 174.600 -0.104 0.000 1.284 399 S CA -0.498 57.617 58.200 -0.142 0.000 1.059 399 S CB 0.363 63.451 63.200 -0.186 0.000 0.901 399 S HN 0.576 nan 8.310 nan 0.000 0.491 400 Q N 1.905 121.671 119.800 -0.057 0.000 2.292 400 Q HA 0.219 4.571 4.340 0.020 0.000 0.247 400 Q C -0.356 175.635 176.000 -0.015 0.000 0.911 400 Q CA 0.125 55.918 55.803 -0.017 0.000 0.948 400 Q CB -0.276 28.465 28.738 0.006 0.000 1.093 400 Q HN 0.631 nan 8.270 nan 0.000 0.428 401 I N 1.501 122.043 120.570 -0.046 0.000 2.395 401 I HA 0.003 4.185 4.170 0.020 0.000 0.289 401 I C 0.811 176.999 176.117 0.118 0.000 1.023 401 I CA -0.299 61.021 61.300 0.033 0.000 1.350 401 I CB 1.479 39.505 38.000 0.043 0.000 1.409 401 I HN 0.175 nan 8.210 nan 0.000 0.507 402 T N 3.310 117.944 114.554 0.133 0.000 3.333 402 T HA -0.023 4.339 4.350 0.020 0.000 0.240 402 T C 1.176 175.994 174.700 0.197 0.000 0.961 402 T CA -0.314 61.874 62.100 0.146 0.000 1.215 402 T CB -0.241 68.726 68.868 0.165 0.000 1.031 402 T HN 0.689 nan 8.240 nan 0.000 0.709 403 K N 2.263 122.821 120.400 0.263 0.000 2.127 403 K HA -0.190 4.142 4.320 0.020 0.000 0.208 403 K C 1.494 178.112 176.600 0.029 0.000 1.047 403 K CA 1.554 57.956 56.287 0.192 0.000 0.927 403 K CB 0.025 32.657 32.500 0.222 0.000 0.716 403 K HN 0.690 nan 8.250 nan 0.000 0.450 404 E N 0.316 120.527 120.200 0.019 0.000 2.330 404 E HA -0.052 4.310 4.350 0.020 0.000 0.210 404 E C -0.669 175.890 176.600 -0.069 0.000 1.256 404 E CA 0.426 56.792 56.400 -0.056 0.000 1.346 404 E CB -0.486 29.155 29.700 -0.097 0.000 1.308 404 E HN 0.468 nan 8.360 nan 0.000 0.441 405 H N -0.268 118.786 119.070 -0.027 0.000 3.061 405 H HA 0.260 4.827 4.556 0.020 0.000 0.210 405 H C -1.545 173.758 175.328 -0.042 0.000 1.326 405 H CA -0.430 55.595 56.048 -0.037 0.000 1.380 405 H CB 0.431 30.177 29.762 -0.027 0.000 2.147 405 H HN -0.018 nan 8.280 nan 0.000 0.562 406 L N 1.078 122.317 121.223 0.027 0.000 2.445 406 L HA 0.287 4.639 4.340 0.020 0.000 0.262 406 L C -0.501 176.284 176.870 -0.141 0.000 0.974 406 L CA -0.404 54.394 54.840 -0.070 0.000 0.822 406 L CB 1.857 43.846 42.059 -0.117 0.000 1.339 406 L HN 0.430 nan 8.230 nan 0.000 0.409 407 E N 2.489 122.583 120.200 -0.177 0.000 2.663 407 E HA -0.127 4.235 4.350 0.020 0.000 0.190 407 E C -1.831 174.737 176.600 -0.053 0.000 1.367 407 E CA 0.536 56.840 56.400 -0.161 0.000 0.699 407 E CB -0.536 29.013 29.700 -0.251 0.000 1.132 407 E HN 0.575 nan 8.360 nan 0.000 0.402 408 P HA -0.113 nan 4.420 nan 0.000 0.226 408 P C 0.406 177.702 177.300 -0.007 0.000 1.146 408 P CA 1.889 64.970 63.100 -0.032 0.000 0.773 408 P CB 0.347 32.005 31.700 -0.069 0.000 0.772 409 N N -2.827 115.888 118.700 0.026 0.000 2.323 409 N HA -0.083 4.669 4.740 0.020 0.000 0.318 409 N C 1.307 176.854 175.510 0.062 0.000 0.772 409 N CA -0.202 52.867 53.050 0.031 0.000 0.619 409 N CB -1.023 37.477 38.487 0.022 0.000 2.293 409 N HN -0.154 nan 8.380 nan 0.000 1.086 410 L N 0.573 121.861 121.223 0.107 0.000 1.997 410 L HA -0.004 4.348 4.340 0.020 0.000 0.216 410 L C 0.821 177.792 176.870 0.167 0.000 1.074 410 L CA 2.476 57.403 54.840 0.145 0.000 0.763 410 L CB -0.206 41.980 42.059 0.211 0.000 0.890 410 L HN 0.419 nan 8.230 nan 0.000 0.434 411 E N -2.253 118.086 120.200 0.232 0.000 2.633 411 E HA 0.101 4.463 4.350 0.020 0.000 0.214 411 E C 0.809 177.478 176.600 0.115 0.000 0.898 411 E CA 0.713 57.232 56.400 0.197 0.000 1.422 411 E CB 0.745 30.646 29.700 0.334 0.000 1.398 411 E HN 0.472 nan 8.360 nan 0.000 0.752 412 G N 2.961 111.793 108.800 0.054 0.000 2.393 412 G HA2 -0.265 3.706 3.960 0.020 0.000 0.299 412 G HA3 -0.265 3.706 3.960 0.020 0.000 0.299 412 G C 0.032 174.928 174.900 -0.008 0.000 0.990 412 G CA 0.895 45.991 45.100 -0.006 0.000 1.118 412 G HN 0.017 nan 8.290 nan 0.000 0.513 413 L N -0.070 121.142 121.223 -0.017 0.000 2.416 413 L HA 0.771 5.122 4.340 0.020 0.000 0.263 413 L C 1.410 178.227 176.870 -0.088 0.000 1.065 413 L CA -0.084 54.743 54.840 -0.022 0.000 0.798 413 L CB 0.659 42.731 42.059 0.022 0.000 1.267 413 L HN 0.362 nan 8.230 nan 0.000 0.467 414 T N -2.950 111.553 114.554 -0.085 0.000 2.852 414 T HA 0.341 4.703 4.350 0.020 0.000 0.281 414 T C 1.183 175.780 174.700 -0.171 0.000 0.993 414 T CA -0.691 61.336 62.100 -0.122 0.000 0.933 414 T CB 0.759 69.574 68.868 -0.088 0.000 1.187 414 T HN 0.185 nan 8.240 nan 0.000 0.559 415 V N 0.734 120.515 119.914 -0.222 0.000 2.223 415 V HA -0.157 3.975 4.120 0.020 0.000 0.244 415 V C 2.554 178.532 176.094 -0.194 0.000 1.045 415 V CA 2.519 64.636 62.300 -0.304 0.000 1.000 415 V CB -0.802 30.752 31.823 -0.448 0.000 0.635 415 V HN 1.057 nan 8.190 nan 0.000 0.445 416 D N -0.879 119.445 120.400 -0.126 0.000 2.178 416 D HA -0.189 4.463 4.640 0.020 0.000 0.202 416 D C 2.158 178.424 176.300 -0.057 0.000 0.974 416 D CA 1.274 55.229 54.000 -0.075 0.000 0.841 416 D CB -0.071 40.704 40.800 -0.042 0.000 0.953 416 D HN 0.530 nan 8.370 nan 0.000 0.478 417 E N -0.490 119.678 120.200 -0.054 0.000 2.097 417 E HA -0.246 4.115 4.350 0.020 0.000 0.196 417 E C 1.832 178.424 176.600 -0.013 0.000 1.000 417 E CA 1.316 57.699 56.400 -0.028 0.000 0.804 417 E CB -0.150 29.534 29.700 -0.028 0.000 0.740 417 E HN 0.335 nan 8.360 nan 0.000 0.454 418 A N 0.227 123.031 122.820 -0.027 0.000 2.016 418 A HA -0.019 4.313 4.320 0.020 0.000 0.217 418 A C 2.026 179.599 177.584 -0.018 0.000 1.162 418 A CA 0.598 52.648 52.037 0.022 0.000 0.662 418 A CB -0.251 18.757 19.000 0.013 0.000 0.812 418 A HN 0.300 nan 8.150 nan 0.000 0.450 419 I N -0.869 119.665 120.570 -0.061 0.000 2.761 419 I HA -0.180 4.002 4.170 0.020 0.000 0.261 419 I C 2.620 178.708 176.117 -0.048 0.000 1.198 419 I CA 0.978 62.236 61.300 -0.069 0.000 1.482 419 I CB -0.163 37.803 38.000 -0.058 0.000 1.100 419 I HN 0.492 nan 8.210 nan 0.000 0.445 420 Q N 1.307 121.089 119.800 -0.029 0.000 2.083 420 Q HA -0.146 4.205 4.340 0.020 0.000 0.198 420 Q C 1.617 177.612 176.000 -0.009 0.000 0.969 420 Q CA 1.356 57.149 55.803 -0.016 0.000 0.838 420 Q CB 0.067 28.799 28.738 -0.011 0.000 0.900 420 Q HN 0.576 nan 8.270 nan 0.000 0.436 421 N N 0.351 119.051 118.700 -0.000 0.000 2.515 421 N HA -0.038 4.714 4.740 0.020 0.000 0.185 421 N C -0.540 174.973 175.510 0.005 0.000 1.109 421 N CA 0.106 53.165 53.050 0.016 0.000 0.903 421 N CB 0.170 38.682 38.487 0.042 0.000 0.969 421 N HN 0.101 nan 8.380 nan 0.000 0.450 422 K N 0.203 120.575 120.400 -0.046 0.000 3.257 422 K HA -0.207 4.125 4.320 0.020 0.000 0.270 422 K C 0.270 176.762 176.600 -0.180 0.000 0.984 422 K CA 0.236 56.436 56.287 -0.145 0.000 0.739 422 K CB -0.762 31.696 32.500 -0.071 0.000 1.351 422 K HN 0.327 nan 8.250 nan 0.000 0.463 423 R N -0.075 120.368 120.500 -0.095 0.000 2.334 423 R HA 0.217 4.569 4.340 0.020 0.000 0.212 423 R C 0.343 176.700 176.300 0.095 0.000 0.897 423 R CA 0.121 56.275 56.100 0.089 0.000 1.056 423 R CB 0.399 30.850 30.300 0.251 0.000 1.046 423 R HN 0.167 nan 8.270 nan 0.000 0.513 424 L N 1.074 122.143 121.223 -0.257 0.000 2.317 424 L HA 0.473 4.825 4.340 0.020 0.000 0.281 424 L C -0.873 175.631 176.870 -0.609 0.000 1.024 424 L CA -0.606 54.142 54.840 -0.155 0.000 0.810 424 L CB 1.216 43.248 42.059 -0.046 0.000 1.240 424 L HN -0.140 nan 8.230 nan 0.000 0.427 425 F N 2.752 122.767 119.950 0.109 0.000 2.629 425 F HA 0.661 5.200 4.527 0.020 0.000 0.316 425 F C -0.524 175.313 175.800 0.063 0.000 1.081 425 F CA -0.835 57.201 58.000 0.060 0.000 0.954 425 F CB 2.031 41.039 39.000 0.013 0.000 1.337 425 F HN 0.157 nan 8.300 nan 0.000 0.474 426 L N 2.370 123.721 121.223 0.213 0.000 2.401 426 L HA 0.634 4.986 4.340 0.020 0.000 0.266 426 L C -2.026 174.877 176.870 0.055 0.000 0.991 426 L CA -0.508 54.408 54.840 0.126 0.000 0.818 426 L CB 2.033 44.146 42.059 0.091 0.000 1.321 426 L HN 0.625 nan 8.230 nan 0.000 0.413 427 L N 4.636 125.878 121.223 0.030 0.000 2.301 427 L HA 0.440 4.791 4.340 0.020 0.000 0.278 427 L C -1.269 175.556 176.870 -0.074 0.000 1.022 427 L CA -0.214 54.585 54.840 -0.069 0.000 0.854 427 L CB 1.078 43.117 42.059 -0.034 0.000 1.226 427 L HN 0.722 nan 8.230 nan 0.000 0.429 428 D N 3.746 124.055 120.400 -0.152 0.000 2.373 428 D HA 0.185 4.837 4.640 0.020 0.000 0.227 428 D C 0.016 176.213 176.300 -0.172 0.000 1.091 428 D CA -0.151 53.813 54.000 -0.060 0.000 0.840 428 D CB 0.723 41.520 40.800 -0.005 0.000 1.060 428 D HN 0.498 nan 8.370 nan 0.000 0.502 429 H N 2.560 121.699 119.070 0.114 0.000 2.475 429 H HA 0.040 4.608 4.556 0.020 0.000 0.276 429 H C 0.594 176.036 175.328 0.190 0.000 1.126 429 H CA -0.126 56.004 56.048 0.137 0.000 1.023 429 H CB 0.409 30.259 29.762 0.147 0.000 1.669 429 H HN 0.603 nan 8.280 nan 0.000 0.573 430 H N 0.438 119.624 119.070 0.193 0.000 2.372 430 H HA -0.042 4.525 4.556 0.020 0.000 0.301 430 H C 1.452 176.888 175.328 0.180 0.000 1.065 430 H CA 1.585 57.736 56.048 0.171 0.000 1.364 430 H CB 0.767 30.608 29.762 0.132 0.000 1.406 430 H HN 0.253 nan 8.280 nan 0.000 0.521 431 D N -0.045 120.525 120.400 0.283 0.000 2.162 431 D HA -0.062 4.590 4.640 0.020 0.000 0.205 431 D C -0.640 175.766 176.300 0.176 0.000 0.964 431 D CA 0.886 55.031 54.000 0.241 0.000 0.847 431 D CB -1.046 39.891 40.800 0.229 0.000 0.988 431 D HN 0.445 nan 8.370 nan 0.000 0.480 432 P HA -0.088 nan 4.420 nan 0.000 0.218 432 P C 1.774 179.040 177.300 -0.057 0.000 1.149 432 P CA 0.778 63.942 63.100 0.107 0.000 0.817 432 P CB 0.138 31.975 31.700 0.229 0.000 0.785 433 I N -2.388 118.181 120.570 -0.001 0.000 3.427 433 I HA -0.015 4.167 4.170 0.020 0.000 0.288 433 I C 2.144 178.255 176.117 -0.010 0.000 1.249 433 I CA 0.309 61.560 61.300 -0.081 0.000 1.421 433 I CB -0.065 37.980 38.000 0.076 0.000 1.086 433 I HN -0.220 nan 8.210 nan 0.000 0.448 434 M N 2.234 121.833 119.600 -0.003 0.000 2.086 434 M HA -0.024 4.468 4.480 0.020 0.000 0.261 434 M C -0.880 175.425 176.300 0.009 0.000 1.067 434 M CA 2.171 57.453 55.300 -0.029 0.000 1.116 434 M CB -1.460 31.134 32.600 -0.009 0.000 1.348 434 M HN 0.007 nan 8.290 nan 0.000 0.407 435 P HA -0.220 nan 4.420 nan 0.000 0.218 435 P C 0.755 177.964 177.300 -0.151 0.000 1.154 435 P CA 1.902 64.987 63.100 -0.025 0.000 0.872 435 P CB -0.418 31.302 31.700 0.034 0.000 0.790 436 Y N -2.321 117.877 120.300 -0.170 0.000 2.458 436 Y HA 0.122 4.684 4.550 0.020 0.000 0.256 436 Y C 2.133 177.922 175.900 -0.185 0.000 1.159 436 Y CA -0.355 57.596 58.100 -0.248 0.000 1.261 436 Y CB -0.508 37.775 38.460 -0.295 0.000 1.119 436 Y HN -0.174 nan 8.280 nan 0.000 0.524 437 L N 1.509 122.725 121.223 -0.012 0.000 2.017 437 L HA -0.196 4.156 4.340 0.020 0.000 0.208 437 L C 2.627 179.481 176.870 -0.026 0.000 1.073 437 L CA 1.794 56.626 54.840 -0.014 0.000 0.745 437 L CB -0.638 41.388 42.059 -0.055 0.000 0.894 437 L HN 0.255 nan 8.230 nan 0.000 0.432 438 R N -0.905 119.542 120.500 -0.088 0.000 2.127 438 R HA -0.189 4.163 4.340 0.020 0.000 0.238 438 R C 2.214 178.522 176.300 0.014 0.000 1.134 438 R CA 1.655 57.730 56.100 -0.041 0.000 0.975 438 R CB -0.692 29.578 30.300 -0.051 0.000 0.865 438 R HN 0.333 nan 8.270 nan 0.000 0.447 439 R N 0.439 120.916 120.500 -0.038 0.000 2.075 439 R HA 0.139 4.490 4.340 0.020 0.000 0.226 439 R C 2.396 178.772 176.300 0.127 0.000 1.114 439 R CA 1.148 57.240 56.100 -0.013 0.000 0.972 439 R CB -0.191 29.958 30.300 -0.251 0.000 0.869 439 R HN 0.214 nan 8.270 nan 0.000 0.437 440 I N 1.074 121.729 120.570 0.142 0.000 2.394 440 I HA -0.258 3.924 4.170 0.020 0.000 0.251 440 I C 1.229 177.413 176.117 0.113 0.000 1.136 440 I CA 1.412 62.836 61.300 0.206 0.000 1.425 440 I CB -0.206 37.918 38.000 0.206 0.000 1.079 440 I HN 0.250 nan 8.210 nan 0.000 0.425 441 N N 0.436 119.182 118.700 0.076 0.000 2.494 441 N HA -0.001 4.750 4.740 0.020 0.000 0.182 441 N C 1.794 177.339 175.510 0.059 0.000 1.076 441 N CA 0.588 53.666 53.050 0.046 0.000 0.908 441 N CB 0.048 38.599 38.487 0.108 0.000 0.967 441 N HN 0.296 nan 8.380 nan 0.000 0.449 442 A N 0.692 123.558 122.820 0.077 0.000 2.014 442 A HA -0.027 4.305 4.320 0.020 0.000 0.218 442 A C 1.545 179.163 177.584 0.057 0.000 1.163 442 A CA 0.870 52.951 52.037 0.073 0.000 0.652 442 A CB -0.421 18.630 19.000 0.084 0.000 0.808 442 A HN 0.214 nan 8.150 nan 0.000 0.449 443 T N -1.425 113.166 114.554 0.061 0.000 2.865 443 T HA 0.275 4.636 4.350 0.020 0.000 0.302 443 T C 1.336 176.036 174.700 -0.001 0.000 1.078 443 T CA 0.123 62.245 62.100 0.037 0.000 0.942 443 T CB 0.289 69.187 68.868 0.051 0.000 1.387 443 T HN 0.182 nan 8.240 nan 0.000 0.557 444 S N 0.044 115.737 115.700 -0.012 0.000 2.500 444 S HA 0.018 4.499 4.470 0.020 0.000 0.239 444 S C 0.742 175.304 174.600 -0.063 0.000 0.989 444 S CA 0.474 58.651 58.200 -0.037 0.000 0.951 444 S CB -0.393 62.787 63.200 -0.033 0.000 0.759 444 S HN 0.669 nan 8.310 nan 0.000 0.523 445 T N 2.896 117.417 114.554 -0.055 0.000 2.797 445 T HA 0.342 4.704 4.350 0.020 0.000 0.279 445 T C -0.344 174.282 174.700 -0.124 0.000 0.991 445 T CA -0.712 61.346 62.100 -0.069 0.000 0.979 445 T CB 1.087 69.947 68.868 -0.014 0.000 0.943 445 T HN -0.125 nan 8.240 nan 0.000 0.444 446 K N 2.639 122.908 120.400 -0.218 0.000 2.499 446 K HA 0.553 4.885 4.320 0.020 0.000 0.215 446 K C 0.014 176.485 176.600 -0.215 0.000 1.041 446 K CA -0.415 55.605 56.287 -0.446 0.000 1.031 446 K CB 1.208 33.095 32.500 -1.022 0.000 1.479 446 K HN 0.695 nan 8.250 nan 0.000 0.518 447 A N 1.330 124.120 122.820 -0.050 0.000 2.327 447 A HA 0.354 4.685 4.320 0.020 0.000 0.255 447 A C -0.636 176.980 177.584 0.053 0.000 1.099 447 A CA 0.036 52.125 52.037 0.087 0.000 0.801 447 A CB 0.221 19.302 19.000 0.136 0.000 1.062 447 A HN 0.574 nan 8.150 nan 0.000 0.496 448 Y N 0.192 120.531 120.300 0.065 0.000 2.558 448 Y HA 0.434 4.996 4.550 0.019 0.000 0.316 448 Y C 0.879 176.778 175.900 -0.002 0.000 0.967 448 Y CA -0.398 57.690 58.100 -0.019 0.000 1.126 448 Y CB 0.178 38.478 38.460 -0.267 0.000 1.155 448 Y HN 0.924 nan 8.280 nan 0.000 0.628 449 A N 1.719 124.622 122.820 0.139 0.000 2.116 449 A HA -0.013 4.319 4.320 0.020 0.000 0.327 449 A C 0.858 178.527 177.584 0.141 0.000 0.883 449 A CA 1.637 53.711 52.037 0.061 0.000 1.423 449 A CB -0.905 17.960 19.000 -0.225 0.000 0.662 449 A HN 0.538 nan 8.150 nan 0.000 0.285 450 T N 1.223 115.907 114.554 0.215 0.000 2.943 450 T HA 0.835 5.197 4.350 0.020 0.000 0.284 450 T C -0.057 174.814 174.700 0.284 0.000 1.015 450 T CA -0.821 61.425 62.100 0.243 0.000 1.042 450 T CB 1.589 70.594 68.868 0.228 0.000 1.055 450 T HN 0.792 nan 8.240 nan 0.000 0.500 451 R N -0.307 120.337 120.500 0.240 0.000 2.739 451 R HA 0.745 5.097 4.340 0.020 0.000 0.271 451 R C -1.213 175.209 176.300 0.203 0.000 1.010 451 R CA -0.937 55.282 56.100 0.199 0.000 0.897 451 R CB 2.368 32.758 30.300 0.150 0.000 1.236 451 R HN 0.883 nan 8.270 nan 0.000 0.466 452 T N 0.990 115.662 114.554 0.196 0.000 3.105 452 T HA 0.495 4.856 4.350 0.020 0.000 0.321 452 T C -1.381 173.453 174.700 0.223 0.000 1.135 452 T CA -0.575 61.671 62.100 0.244 0.000 1.053 452 T CB 0.946 70.003 68.868 0.314 0.000 1.133 452 T HN 0.296 nan 8.240 nan 0.000 0.463 453 I N 4.774 125.495 120.570 0.251 0.000 2.331 453 I HA 0.570 4.752 4.170 0.020 0.000 0.292 453 I C -0.750 175.536 176.117 0.281 0.000 0.998 453 I CA -0.411 61.038 61.300 0.248 0.000 1.267 453 I CB 1.305 39.456 38.000 0.252 0.000 1.386 453 I HN 0.592 nan 8.210 nan 0.000 0.476 454 L N 7.021 128.420 121.223 0.292 0.000 2.362 454 L HA 0.525 4.877 4.340 0.020 0.000 0.271 454 L C -0.915 176.215 176.870 0.435 0.000 1.002 454 L CA -0.467 54.565 54.840 0.320 0.000 0.818 454 L CB 1.529 43.722 42.059 0.224 0.000 1.298 454 L HN 0.305 nan 8.230 nan 0.000 0.420 455 F N 3.121 123.191 119.950 0.200 0.000 2.467 455 F HA 0.540 5.079 4.527 0.020 0.000 0.336 455 F C -0.578 175.328 175.800 0.176 0.000 1.123 455 F CA -1.405 56.707 58.000 0.186 0.000 0.964 455 F CB 1.539 40.604 39.000 0.109 0.000 1.136 455 F HN 0.307 nan 8.300 nan 0.000 0.447 456 L N 7.051 128.256 121.223 -0.030 0.000 2.565 456 L HA 0.188 4.539 4.340 0.020 0.000 0.275 456 L C 0.300 176.835 176.870 -0.559 0.000 1.137 456 L CA 0.306 55.028 54.840 -0.197 0.000 0.915 456 L CB -0.479 41.585 42.059 0.008 0.000 1.232 456 L HN 0.601 nan 8.230 nan 0.000 0.473 457 K N 3.820 124.005 120.400 -0.359 0.000 2.527 457 K HA -0.122 4.210 4.320 0.020 0.000 0.278 457 K C 1.319 177.767 176.600 -0.254 0.000 0.981 457 K CA 0.506 56.611 56.287 -0.303 0.000 1.009 457 K CB 0.276 32.708 32.500 -0.112 0.000 0.895 457 K HN 0.788 nan 8.250 nan 0.000 0.493 458 N N 1.766 120.336 118.700 -0.216 0.000 2.322 458 N HA -0.202 4.549 4.740 0.020 0.000 0.189 458 N C 0.437 175.904 175.510 -0.072 0.000 1.012 458 N CA 1.254 54.232 53.050 -0.120 0.000 0.880 458 N CB 0.123 38.577 38.487 -0.056 0.000 0.967 458 N HN 0.562 nan 8.380 nan 0.000 0.439 459 D N -1.725 118.636 120.400 -0.065 0.000 2.463 459 D HA 0.117 4.769 4.640 0.020 0.000 0.224 459 D C 1.104 177.379 176.300 -0.042 0.000 1.174 459 D CA 0.496 54.472 54.000 -0.039 0.000 0.829 459 D CB 0.357 41.143 40.800 -0.023 0.000 0.993 459 D HN 0.317 nan 8.370 nan 0.000 0.497 460 G N 0.899 109.662 108.800 -0.061 0.000 2.317 460 G HA2 -0.312 3.660 3.960 0.020 0.000 0.227 460 G HA3 -0.312 3.660 3.960 0.020 0.000 0.227 460 G C 0.676 175.534 174.900 -0.071 0.000 1.042 460 G CA 0.330 45.397 45.100 -0.055 0.000 0.623 460 G HN 0.653 nan 8.290 nan 0.000 0.509 461 T N -0.015 114.501 114.554 -0.062 0.000 2.766 461 T HA 0.625 4.987 4.350 0.020 0.000 0.295 461 T C 0.172 174.819 174.700 -0.089 0.000 1.024 461 T CA 0.298 62.361 62.100 -0.062 0.000 1.018 461 T CB 2.261 71.112 68.868 -0.027 0.000 1.002 461 T HN 1.002 nan 8.240 nan 0.000 0.532 462 L N 0.033 121.207 121.223 -0.083 0.000 2.330 462 L HA 0.693 5.045 4.340 0.020 0.000 0.271 462 L C -0.123 176.761 176.870 0.022 0.000 1.013 462 L CA -0.900 53.895 54.840 -0.075 0.000 0.816 462 L CB 1.717 43.680 42.059 -0.161 0.000 1.287 462 L HN 0.800 nan 8.230 nan 0.000 0.435 463 R N 4.338 124.901 120.500 0.105 0.000 2.515 463 R HA 0.476 4.828 4.340 0.020 0.000 0.291 463 R C -2.801 173.671 176.300 0.286 0.000 1.046 463 R CA -1.759 54.455 56.100 0.190 0.000 0.914 463 R CB 2.184 32.592 30.300 0.179 0.000 1.191 463 R HN 0.416 nan 8.270 nan 0.000 0.435 464 P HA 0.045 nan 4.420 nan 0.000 0.270 464 P C -0.096 177.468 177.300 0.441 0.000 1.242 464 P CA -0.228 63.172 63.100 0.500 0.000 0.768 464 P CB 1.086 33.254 31.700 0.781 0.000 0.820 465 L N 3.356 124.784 121.223 0.342 0.000 2.357 465 L HA 0.371 4.722 4.340 0.020 0.000 0.211 465 L C 1.181 178.167 176.870 0.192 0.000 1.075 465 L CA 0.980 55.937 54.840 0.194 0.000 0.830 465 L CB -0.555 41.586 42.059 0.137 0.000 0.996 465 L HN 0.469 nan 8.230 nan 0.000 0.467 466 A N -0.791 122.228 122.820 0.332 0.000 2.566 466 A HA 0.652 4.984 4.320 0.020 0.000 0.297 466 A C -1.341 176.493 177.584 0.415 0.000 1.059 466 A CA -0.451 51.792 52.037 0.343 0.000 0.691 466 A CB 1.289 20.419 19.000 0.216 0.000 1.282 466 A HN -0.121 nan 8.150 nan 0.000 0.401 467 I N 0.884 121.728 120.570 0.456 0.000 2.562 467 I HA 0.541 4.723 4.170 0.020 0.000 0.301 467 I C 0.204 176.493 176.117 0.287 0.000 1.003 467 I CA -0.396 61.097 61.300 0.323 0.000 1.127 467 I CB 1.662 39.801 38.000 0.233 0.000 1.304 467 I HN 0.899 nan 8.210 nan 0.000 0.446 468 E N 6.030 126.361 120.200 0.218 0.000 2.185 468 E HA 0.444 4.806 4.350 0.020 0.000 0.261 468 E C -1.647 175.046 176.600 0.156 0.000 0.879 468 E CA -0.550 55.955 56.400 0.176 0.000 0.756 468 E CB 1.465 31.239 29.700 0.124 0.000 1.152 468 E HN 0.509 nan 8.360 nan 0.000 0.416 469 L N 4.035 125.339 121.223 0.135 0.000 2.255 469 L HA 0.361 4.713 4.340 0.020 0.000 0.289 469 L C -0.501 176.400 176.870 0.051 0.000 1.046 469 L CA -0.481 54.340 54.840 -0.032 0.000 0.816 469 L CB 1.165 42.964 42.059 -0.434 0.000 1.197 469 L HN 0.492 nan 8.230 nan 0.000 0.427 470 S N 4.490 120.277 115.700 0.144 0.000 2.501 470 S HA 0.758 5.240 4.470 0.020 0.000 0.301 470 S C -0.258 174.415 174.600 0.122 0.000 1.096 470 S CA -0.724 57.551 58.200 0.125 0.000 1.063 470 S CB 2.473 65.790 63.200 0.194 0.000 1.042 470 S HN 0.364 nan 8.310 nan 0.000 0.494 471 L N 2.665 123.927 121.223 0.065 0.000 2.286 471 L HA 0.669 5.021 4.340 0.020 0.000 0.265 471 L C -2.336 174.512 176.870 -0.037 0.000 1.012 471 L CA -2.584 52.257 54.840 0.001 0.000 0.818 471 L CB 2.177 44.232 42.059 -0.006 0.000 1.337 471 L HN 0.398 nan 8.230 nan 0.000 0.438 472 P HA 0.140 nan 4.420 nan 0.000 0.287 472 P C -0.820 176.388 177.300 -0.153 0.000 1.270 472 P CA -0.138 62.801 63.100 -0.268 0.000 0.844 472 P CB 0.627 32.020 31.700 -0.511 0.000 1.068 473 H N -0.449 118.597 119.070 -0.040 0.000 2.207 473 H HA -0.112 4.455 4.556 0.020 0.000 0.325 473 H C -1.790 173.467 175.328 -0.117 0.000 0.959 473 H CA -0.819 55.195 56.048 -0.057 0.000 1.085 473 H CB -1.827 27.923 29.762 -0.020 0.000 1.582 473 H HN 0.296 nan 8.280 nan 0.000 0.361 474 P HA -0.008 nan 4.420 nan 0.000 0.258 474 P C -0.410 176.782 177.300 -0.180 0.000 1.214 474 P CA 0.568 63.511 63.100 -0.263 0.000 0.872 474 P CB 0.441 31.671 31.700 -0.784 0.000 0.890 475 Q N 1.715 121.443 119.800 -0.120 0.000 2.407 475 Q HA -0.030 4.322 4.340 0.020 0.000 0.323 475 Q C 0.706 176.659 176.000 -0.079 0.000 1.421 475 Q CA 1.266 57.006 55.803 -0.105 0.000 0.799 475 Q CB -1.947 26.732 28.738 -0.098 0.000 1.073 475 Q HN 0.986 nan 8.270 nan 0.000 0.345 476 G N -0.154 108.583 108.800 -0.105 0.000 2.181 476 G HA2 0.229 4.200 3.960 0.020 0.000 0.098 476 G HA3 0.229 4.200 3.960 0.020 0.000 0.098 476 G C -0.449 174.449 174.900 -0.003 0.000 1.237 476 G CA 0.350 45.417 45.100 -0.055 0.000 1.238 476 G HN 0.489 nan 8.290 nan 0.000 0.468 477 D N -0.952 119.516 120.400 0.113 0.000 4.420 477 D HA -0.002 4.650 4.640 0.020 0.000 0.119 477 D C -0.062 176.339 176.300 0.168 0.000 0.401 477 D CA 0.352 54.481 54.000 0.216 0.000 0.584 477 D CB -0.674 40.276 40.800 0.249 0.000 1.641 477 D HN 0.458 nan 8.370 nan 0.000 0.036 478 Q N 0.290 120.157 119.800 0.113 0.000 2.293 478 Q HA 0.527 4.879 4.340 0.020 0.000 0.261 478 Q C -0.076 176.002 176.000 0.131 0.000 0.960 478 Q CA -0.341 55.520 55.803 0.096 0.000 0.882 478 Q CB 1.842 30.612 28.738 0.052 0.000 1.275 478 Q HN 0.072 nan 8.270 nan 0.000 0.445 479 S N 1.132 116.938 115.700 0.177 0.000 3.706 479 S HA -0.166 4.316 4.470 0.020 0.000 0.363 479 S C 0.693 175.424 174.600 0.219 0.000 0.999 479 S CA 0.538 58.873 58.200 0.225 0.000 1.143 479 S CB -0.965 62.341 63.200 0.178 0.000 0.902 479 S HN 0.965 nan 8.310 nan 0.000 0.476 480 G N -0.042 108.968 108.800 0.351 0.000 3.371 480 G HA2 0.480 4.452 3.960 0.020 0.000 0.248 480 G HA3 0.480 4.452 3.960 0.020 0.000 0.248 480 G C 0.213 175.056 174.900 -0.095 0.000 1.161 480 G CA 0.444 45.643 45.100 0.166 0.000 0.796 480 G HN 0.980 nan 8.290 nan 0.000 0.539 481 A N 0.570 123.265 122.820 -0.208 0.000 2.279 481 A HA 0.571 4.902 4.320 0.020 0.000 0.306 481 A C -0.945 176.644 177.584 0.009 0.000 1.300 481 A CA -0.640 51.199 52.037 -0.329 0.000 0.925 481 A CB 0.254 19.021 19.000 -0.388 0.000 1.152 481 A HN 0.184 nan 8.150 nan 0.000 0.544 482 F N 3.865 123.732 119.950 -0.137 0.000 2.467 482 F HA 0.342 4.881 4.527 0.020 0.000 0.349 482 F C 0.146 175.939 175.800 -0.012 0.000 1.182 482 F CA -1.163 56.800 58.000 -0.061 0.000 1.279 482 F CB -0.189 38.775 39.000 -0.060 0.000 1.626 482 F HN 0.401 nan 8.300 nan 0.000 0.596 483 S N 3.958 119.712 115.700 0.090 0.000 2.562 483 S HA 0.531 5.013 4.470 0.020 0.000 0.275 483 S C -0.492 174.045 174.600 -0.105 0.000 1.281 483 S CA -0.652 57.541 58.200 -0.011 0.000 1.045 483 S CB 1.357 64.565 63.200 0.013 0.000 0.962 483 S HN 0.527 nan 8.310 nan 0.000 0.503 484 Q N 1.324 121.060 119.800 -0.106 0.000 2.294 484 Q HA 0.454 4.806 4.340 0.020 0.000 0.264 484 Q C -0.998 174.896 176.000 -0.177 0.000 0.992 484 Q CA -0.705 54.990 55.803 -0.178 0.000 0.747 484 Q CB 1.864 30.537 28.738 -0.109 0.000 1.262 484 Q HN 0.613 nan 8.270 nan 0.000 0.452 485 V N 0.141 119.905 119.914 -0.250 0.000 2.439 485 V HA 0.653 4.785 4.120 0.020 0.000 0.282 485 V C -0.984 174.854 176.094 -0.426 0.000 1.039 485 V CA -0.306 61.912 62.300 -0.137 0.000 0.913 485 V CB 0.381 32.198 31.823 -0.009 0.000 0.983 485 V HN 0.521 nan 8.190 nan 0.000 0.460 486 F N 4.795 124.803 119.950 0.097 0.000 2.425 486 F HA 0.803 5.342 4.527 0.020 0.000 0.331 486 F C -0.049 175.854 175.800 0.172 0.000 1.085 486 F CA -0.690 57.396 58.000 0.144 0.000 1.028 486 F CB 1.866 40.991 39.000 0.207 0.000 1.177 486 F HN 0.461 nan 8.300 nan 0.000 0.487 487 L N 4.099 125.372 121.223 0.084 0.000 2.370 487 L HA 0.605 4.957 4.340 0.020 0.000 0.266 487 L C -2.318 174.118 176.870 -0.724 0.000 1.002 487 L CA -2.055 52.624 54.840 -0.269 0.000 0.818 487 L CB 2.202 44.064 42.059 -0.330 0.000 1.325 487 L HN 0.322 nan 8.230 nan 0.000 0.418 488 P HA 0.376 nan 4.420 nan 0.000 0.268 488 P C -1.519 175.311 177.300 -0.784 0.000 1.205 488 P CA -0.208 61.864 63.100 -1.714 0.000 0.771 488 P CB 1.245 32.175 31.700 -1.284 0.000 0.858 489 A N 2.123 124.578 122.820 -0.608 0.000 2.604 489 A HA 0.472 4.804 4.320 0.020 0.000 0.295 489 A C -0.022 177.479 177.584 -0.139 0.000 1.067 489 A CA -0.527 51.352 52.037 -0.262 0.000 0.683 489 A CB 1.190 20.093 19.000 -0.162 0.000 1.281 489 A HN 0.597 nan 8.150 nan 0.000 0.407 490 D N 0.189 120.541 120.400 -0.080 0.000 2.503 490 D HA 0.117 4.769 4.640 0.020 0.000 0.218 490 D C -0.480 175.804 176.300 -0.027 0.000 1.183 490 D CA 0.196 54.172 54.000 -0.039 0.000 0.827 490 D CB 0.622 41.400 40.800 -0.037 0.000 1.034 490 D HN 0.561 nan 8.370 nan 0.000 0.510 491 E N 0.668 120.852 120.200 -0.026 0.000 2.317 491 E HA 0.483 4.845 4.350 0.020 0.000 0.270 491 E C 0.658 177.252 176.600 -0.010 0.000 0.885 491 E CA -0.811 55.578 56.400 -0.018 0.000 0.760 491 E CB 2.374 32.064 29.700 -0.016 0.000 1.227 491 E HN 0.128 nan 8.360 nan 0.000 0.434 492 G N 0.473 109.267 108.800 -0.010 0.000 2.578 492 G HA2 -0.329 3.643 3.960 0.020 0.000 0.275 492 G HA3 -0.329 3.643 3.960 0.020 0.000 0.275 492 G C 0.880 175.776 174.900 -0.007 0.000 1.271 492 G CA 0.078 45.176 45.100 -0.003 0.000 0.941 492 G HN 0.395 nan 8.290 nan 0.000 0.564 493 V N 0.316 120.229 119.914 -0.001 0.000 2.720 493 V HA -0.102 4.029 4.120 0.020 0.000 0.256 493 V C 2.636 178.729 176.094 -0.002 0.000 1.082 493 V CA 3.015 65.289 62.300 -0.042 0.000 1.101 493 V CB -0.893 30.895 31.823 -0.060 0.000 0.693 493 V HN 0.686 nan 8.190 nan 0.000 0.479 494 E N 1.700 121.922 120.200 0.037 0.000 2.007 494 E HA -0.175 4.187 4.350 0.020 0.000 0.194 494 E C 2.468 179.114 176.600 0.076 0.000 0.999 494 E CA 1.879 58.314 56.400 0.058 0.000 0.811 494 E CB -0.780 28.932 29.700 0.020 0.000 0.762 494 E HN 0.723 nan 8.360 nan 0.000 0.450 495 S N 0.350 116.079 115.700 0.048 0.000 2.400 495 S HA -0.145 4.337 4.470 0.020 0.000 0.232 495 S C 2.115 176.775 174.600 0.100 0.000 1.025 495 S CA 1.276 59.531 58.200 0.091 0.000 0.993 495 S CB -0.384 62.838 63.200 0.037 0.000 0.808 495 S HN 0.065 nan 8.310 nan 0.000 0.478 496 S N 1.697 117.419 115.700 0.036 0.000 2.387 496 S HA 0.184 4.666 4.470 0.020 0.000 0.226 496 S C 1.768 176.387 174.600 0.031 0.000 1.026 496 S CA 0.796 59.002 58.200 0.008 0.000 0.972 496 S CB -0.382 62.792 63.200 -0.043 0.000 0.814 496 S HN 0.449 nan 8.310 nan 0.000 0.477 497 I N 0.431 121.030 120.570 0.048 0.000 2.202 497 I HA -0.187 3.995 4.170 0.020 0.000 0.242 497 I C 2.319 178.509 176.117 0.122 0.000 1.091 497 I CA 1.125 62.463 61.300 0.063 0.000 1.368 497 I CB -0.320 37.752 38.000 0.119 0.000 1.058 497 I HN 0.531 nan 8.210 nan 0.000 0.410 498 W N 1.522 122.808 121.300 -0.023 0.000 2.321 498 W HA -0.305 4.368 4.660 0.020 0.000 0.306 498 W C 2.389 178.856 176.519 -0.087 0.000 1.217 498 W CA 1.084 58.404 57.345 -0.041 0.000 1.257 498 W CB -0.053 29.384 29.460 -0.040 0.000 1.145 498 W HN 0.140 nan 8.180 nan 0.000 0.509 499 L N 1.138 122.349 121.223 -0.021 0.000 2.005 499 L HA -0.180 4.172 4.340 0.020 0.000 0.207 499 L C 2.435 179.252 176.870 -0.089 0.000 1.072 499 L CA 1.905 56.666 54.840 -0.131 0.000 0.744 499 L CB -1.320 40.709 42.059 -0.050 0.000 0.895 499 L HN -0.073 nan 8.230 nan 0.000 0.433 500 L N -0.292 120.916 121.223 -0.026 0.000 2.127 500 L HA -0.196 4.156 4.340 0.020 0.000 0.211 500 L C 2.631 179.330 176.870 -0.284 0.000 1.089 500 L CA 1.567 56.315 54.840 -0.153 0.000 0.757 500 L CB -1.077 40.915 42.059 -0.112 0.000 0.899 500 L HN 0.374 nan 8.230 nan 0.000 0.434 501 A N -0.236 122.468 122.820 -0.194 0.000 1.865 501 A HA -0.255 4.077 4.320 0.020 0.000 0.217 501 A C 2.355 179.785 177.584 -0.257 0.000 1.191 501 A CA 1.917 53.851 52.037 -0.172 0.000 0.623 501 A CB -0.457 18.414 19.000 -0.216 0.000 0.826 501 A HN 0.353 nan 8.150 nan 0.000 0.444 502 K N -0.385 119.680 120.400 -0.559 0.000 2.152 502 K HA -0.087 4.245 4.320 0.020 0.000 0.206 502 K C 2.226 178.674 176.600 -0.253 0.000 1.048 502 K CA 1.015 56.923 56.287 -0.631 0.000 0.933 502 K CB -0.335 31.520 32.500 -1.076 0.000 0.721 502 K HN 0.472 nan 8.250 nan 0.000 0.447 503 A N 0.625 123.308 122.820 -0.228 0.000 1.933 503 A HA -0.175 4.157 4.320 0.020 0.000 0.218 503 A C 1.717 179.173 177.584 -0.212 0.000 1.175 503 A CA 1.302 53.209 52.037 -0.217 0.000 0.628 503 A CB -0.645 18.121 19.000 -0.389 0.000 0.814 503 A HN 0.280 nan 8.150 nan 0.000 0.444 504 Y N -0.584 119.663 120.300 -0.088 0.000 2.373 504 Y HA -0.057 4.505 4.550 0.020 0.000 0.293 504 Y C 2.457 178.360 175.900 0.004 0.000 1.129 504 Y CA 0.868 58.950 58.100 -0.029 0.000 1.226 504 Y CB -0.512 37.920 38.460 -0.046 0.000 1.000 504 Y HN 0.101 nan 8.280 nan 0.000 0.549 505 V N -1.207 118.800 119.914 0.154 0.000 2.283 505 V HA -0.232 3.900 4.120 0.020 0.000 0.243 505 V C 2.204 178.351 176.094 0.089 0.000 1.039 505 V CA 1.601 63.998 62.300 0.163 0.000 1.016 505 V CB -0.858 31.130 31.823 0.275 0.000 0.650 505 V HN 0.195 nan 8.190 nan 0.000 0.449 506 V N -0.187 119.783 119.914 0.093 0.000 2.343 506 V HA -0.209 3.923 4.120 0.020 0.000 0.247 506 V C 2.504 178.589 176.094 -0.014 0.000 1.051 506 V CA 2.018 64.347 62.300 0.049 0.000 1.036 506 V CB -0.477 31.377 31.823 0.051 0.000 0.654 506 V HN 0.461 nan 8.190 nan 0.000 0.451 507 V N 0.516 120.419 119.914 -0.019 0.000 2.594 507 V HA -0.244 3.888 4.120 0.020 0.000 0.253 507 V C 1.974 178.056 176.094 -0.020 0.000 1.069 507 V CA 2.436 64.721 62.300 -0.025 0.000 1.082 507 V CB -0.707 31.105 31.823 -0.020 0.000 0.680 507 V HN 0.677 nan 8.190 nan 0.000 0.469 508 N N -0.261 118.411 118.700 -0.047 0.000 2.300 508 N HA -0.147 4.605 4.740 0.020 0.000 0.179 508 N C 1.451 176.785 175.510 -0.293 0.000 1.016 508 N CA 1.375 54.354 53.050 -0.118 0.000 0.876 508 N CB -0.072 38.297 38.487 -0.196 0.000 0.979 508 N HN 0.562 nan 8.380 nan 0.000 0.432 509 D N 0.370 120.581 120.400 -0.315 0.000 2.224 509 D HA 0.023 4.674 4.640 0.020 0.000 0.205 509 D C 1.697 178.015 176.300 0.031 0.000 0.965 509 D CA 0.732 54.658 54.000 -0.123 0.000 0.852 509 D CB 0.223 41.033 40.800 0.017 0.000 0.947 509 D HN -0.030 nan 8.370 nan 0.000 0.494 510 S N -1.038 114.665 115.700 0.005 0.000 2.383 510 S HA -0.142 4.340 4.470 0.020 0.000 0.227 510 S C 2.199 176.799 174.600 -0.001 0.000 1.026 510 S CA 0.793 59.042 58.200 0.081 0.000 0.981 510 S CB -0.338 62.942 63.200 0.133 0.000 0.818 510 S HN 0.476 nan 8.310 nan 0.000 0.472 511 C N 0.254 119.443 119.300 -0.185 0.000 2.446 511 C HA -0.001 4.471 4.460 0.020 0.000 0.277 511 C C 2.299 176.790 174.990 -0.833 0.000 1.275 511 C CA 0.100 58.703 59.018 -0.692 0.000 1.727 511 C CB -1.359 25.501 27.740 -1.467 0.000 2.010 511 C HN 0.642 nan 8.230 nan 0.000 0.486 512 Y N 0.706 120.685 120.300 -0.534 0.000 2.165 512 Y HA -0.246 4.315 4.550 0.019 0.000 0.286 512 Y C 2.871 178.728 175.900 -0.071 0.000 1.155 512 Y CA 2.295 60.296 58.100 -0.164 0.000 1.164 512 Y CB -0.694 37.890 38.460 0.207 0.000 0.978 512 Y HN 0.496 nan 8.280 nan 0.000 0.513 513 H N -0.580 118.517 119.070 0.044 0.000 2.299 513 H HA -0.148 4.419 4.556 0.019 0.000 0.302 513 H C 1.924 177.183 175.328 -0.114 0.000 1.078 513 H CA 1.858 57.917 56.048 0.018 0.000 1.323 513 H CB 0.167 29.936 29.762 0.012 0.000 1.381 513 H HN 0.345 nan 8.280 nan 0.000 0.498 514 Q N 0.290 119.906 119.800 -0.306 0.000 1.965 514 Q HA -0.094 4.258 4.340 0.020 0.000 0.200 514 Q C 2.691 178.488 176.000 -0.339 0.000 0.981 514 Q CA 0.625 56.182 55.803 -0.410 0.000 0.834 514 Q CB -0.242 27.973 28.738 -0.873 0.000 0.900 514 Q HN 0.391 nan 8.270 nan 0.000 0.426 515 L N -0.119 120.845 121.223 -0.431 0.000 2.027 515 L HA -0.103 4.249 4.340 0.020 0.000 0.206 515 L C 2.398 179.215 176.870 -0.087 0.000 1.074 515 L CA 1.261 55.975 54.840 -0.211 0.000 0.745 515 L CB -1.135 40.789 42.059 -0.225 0.000 0.898 515 L HN 0.045 nan 8.230 nan 0.000 0.433 516 V N -2.232 117.521 119.914 -0.269 0.000 2.521 516 V HA 0.003 4.135 4.120 0.020 0.000 0.239 516 V C 2.457 178.460 176.094 -0.152 0.000 1.053 516 V CA 0.984 63.132 62.300 -0.253 0.000 1.073 516 V CB 0.202 31.627 31.823 -0.664 0.000 0.746 516 V HN 0.252 nan 8.190 nan 0.000 0.476 517 S N -1.327 114.293 115.700 -0.135 0.000 2.368 517 S HA -0.164 4.318 4.470 0.020 0.000 0.224 517 S C 1.765 176.338 174.600 -0.046 0.000 1.029 517 S CA 1.734 59.933 58.200 -0.001 0.000 0.988 517 S CB -0.264 62.994 63.200 0.097 0.000 0.838 517 S HN 0.750 nan 8.310 nan 0.000 0.462 518 H N -1.146 117.741 119.070 -0.306 0.000 2.279 518 H HA -0.027 4.540 4.556 0.019 0.000 0.327 518 H C 2.233 177.567 175.328 0.010 0.000 1.122 518 H CA 0.730 56.655 56.048 -0.205 0.000 1.618 518 H CB -0.742 28.755 29.762 -0.440 0.000 1.495 518 H HN 0.515 nan 8.280 nan 0.000 0.592 519 W N 1.803 122.774 121.300 -0.549 0.000 2.335 519 W HA -0.228 4.444 4.660 0.019 0.000 0.311 519 W C 2.024 178.429 176.519 -0.190 0.000 1.213 519 W CA 1.544 58.629 57.345 -0.433 0.000 1.274 519 W CB -0.499 28.718 29.460 -0.406 0.000 1.148 519 W HN 0.389 nan 8.180 nan 0.000 0.498 520 L N 1.790 122.864 121.223 -0.248 0.000 1.993 520 L HA -0.059 4.292 4.340 0.020 0.000 0.206 520 L C 1.977 178.669 176.870 -0.297 0.000 1.074 520 L CA 2.444 57.067 54.840 -0.361 0.000 0.746 520 L CB -1.564 40.433 42.059 -0.104 0.000 0.896 520 L HN -0.068 nan 8.230 nan 0.000 0.435 521 N N -1.781 116.867 118.700 -0.087 0.000 2.585 521 N HA -0.149 4.602 4.740 0.020 0.000 0.188 521 N C 0.909 176.462 175.510 0.072 0.000 1.102 521 N CA 1.061 54.145 53.050 0.058 0.000 0.920 521 N CB 0.122 38.719 38.487 0.184 0.000 0.963 521 N HN 0.474 nan 8.380 nan 0.000 0.447 522 T N -1.396 113.145 114.554 -0.022 0.000 3.429 522 T HA 0.095 4.456 4.350 0.020 0.000 0.212 522 T C 1.343 175.975 174.700 -0.113 0.000 0.980 522 T CA -0.209 61.902 62.100 0.019 0.000 1.201 522 T CB -0.134 68.829 68.868 0.159 0.000 1.289 522 T HN 0.115 nan 8.240 nan 0.000 0.346 523 H N 0.935 119.812 119.070 -0.322 0.000 2.321 523 H HA 0.043 4.610 4.556 0.019 0.000 0.300 523 H C 2.316 177.271 175.328 -0.623 0.000 1.087 523 H CA 1.452 57.237 56.048 -0.438 0.000 1.319 523 H CB -0.073 29.385 29.762 -0.506 0.000 1.379 523 H HN 0.383 nan 8.280 nan 0.000 0.501 524 A N 0.636 122.949 122.820 -0.846 0.000 1.872 524 A HA -0.062 4.269 4.320 0.020 0.000 0.214 524 A C 2.755 180.052 177.584 -0.480 0.000 1.187 524 A CA 1.046 52.602 52.037 -0.801 0.000 0.614 524 A CB -0.804 17.507 19.000 -1.148 0.000 0.826 524 A HN 0.187 nan 8.150 nan 0.000 0.442 525 V N -0.219 119.463 119.914 -0.386 0.000 2.407 525 V HA -0.205 3.926 4.120 0.020 0.000 0.248 525 V C 2.570 178.832 176.094 0.279 0.000 1.055 525 V CA 2.012 64.237 62.300 -0.125 0.000 1.049 525 V CB -0.324 31.361 31.823 -0.230 0.000 0.662 525 V HN 0.370 nan 8.190 nan 0.000 0.455 526 V N -0.405 119.630 119.914 0.201 0.000 2.515 526 V HA -0.241 3.890 4.120 0.020 0.000 0.250 526 V C 2.348 178.567 176.094 0.209 0.000 1.058 526 V CA 2.063 64.552 62.300 0.314 0.000 1.064 526 V CB -0.517 31.380 31.823 0.124 0.000 0.675 526 V HN 0.659 nan 8.190 nan 0.000 0.461 527 E N 0.197 120.410 120.200 0.023 0.000 2.118 527 E HA -0.202 4.160 4.350 0.020 0.000 0.195 527 E C -0.287 176.288 176.600 -0.041 0.000 0.992 527 E CA 1.449 57.826 56.400 -0.039 0.000 0.804 527 E CB -0.658 29.007 29.700 -0.059 0.000 0.741 527 E HN 0.501 nan 8.360 nan 0.000 0.458 528 P HA -0.157 nan 4.420 nan 0.000 0.215 528 P C 0.693 177.945 177.300 -0.080 0.000 1.153 528 P CA 1.267 64.321 63.100 -0.077 0.000 0.853 528 P CB -0.122 31.379 31.700 -0.331 0.000 0.788 529 F N -0.855 119.129 119.950 0.057 0.000 2.126 529 F HA -0.168 4.371 4.527 0.019 0.000 0.299 529 F C 2.282 177.956 175.800 -0.211 0.000 1.096 529 F CA 1.231 59.249 58.000 0.031 0.000 1.255 529 F CB -1.283 37.795 39.000 0.131 0.000 0.997 529 F HN -0.140 nan 8.300 nan 0.000 0.479 530 I N -0.326 120.056 120.570 -0.315 0.000 2.252 530 I HA -0.280 3.902 4.170 0.020 0.000 0.245 530 I C 2.273 178.259 176.117 -0.217 0.000 1.102 530 I CA 1.304 62.247 61.300 -0.594 0.000 1.385 530 I CB -0.552 37.140 38.000 -0.513 0.000 1.064 530 I HN 0.102 nan 8.210 nan 0.000 0.414 531 I N 1.016 121.501 120.570 -0.141 0.000 2.202 531 I HA -0.254 3.927 4.170 0.020 0.000 0.242 531 I C 2.878 178.911 176.117 -0.141 0.000 1.091 531 I CA 1.381 62.577 61.300 -0.174 0.000 1.368 531 I CB -0.532 37.202 38.000 -0.443 0.000 1.058 531 I HN 0.167 nan 8.210 nan 0.000 0.410 532 A N 0.631 123.467 122.820 0.026 0.000 1.877 532 A HA -0.191 4.140 4.320 0.020 0.000 0.216 532 A C 2.393 180.075 177.584 0.164 0.000 1.186 532 A CA 2.436 54.577 52.037 0.172 0.000 0.620 532 A CB -1.178 17.928 19.000 0.178 0.000 0.822 532 A HN 0.379 nan 8.150 nan 0.000 0.443 533 T N 0.772 115.427 114.554 0.169 0.000 2.597 533 T HA -0.222 4.140 4.350 0.020 0.000 0.267 533 T C 1.785 176.572 174.700 0.144 0.000 1.053 533 T CA 2.126 64.358 62.100 0.220 0.000 1.165 533 T CB -0.622 68.437 68.868 0.318 0.000 0.863 533 T HN 0.637 nan 8.240 nan 0.000 0.427 534 N N 0.273 118.942 118.700 -0.052 0.000 2.188 534 N HA 0.006 4.758 4.740 0.020 0.000 0.184 534 N C 2.002 177.360 175.510 -0.253 0.000 1.018 534 N CA 0.723 53.637 53.050 -0.227 0.000 0.858 534 N CB -0.120 37.764 38.487 -1.005 0.000 0.989 534 N HN 0.316 nan 8.380 nan 0.000 0.426 535 R N -0.787 119.554 120.500 -0.266 0.000 2.148 535 R HA 0.004 4.356 4.340 0.020 0.000 0.227 535 R C 0.769 176.780 176.300 -0.482 0.000 1.103 535 R CA 0.988 56.884 56.100 -0.339 0.000 0.983 535 R CB 0.010 30.093 30.300 -0.362 0.000 0.874 535 R HN 0.453 nan 8.270 nan 0.000 0.451 536 H N -2.116 116.979 119.070 0.042 0.000 3.360 536 H HA 0.197 4.765 4.556 0.020 0.000 0.262 536 H C -0.640 174.709 175.328 0.036 0.000 1.149 536 H CA -0.156 55.922 56.048 0.050 0.000 1.181 536 H CB 0.949 30.747 29.762 0.059 0.000 1.564 536 H HN -0.064 nan 8.280 nan 0.000 0.565 537 L N 1.988 123.298 121.223 0.146 0.000 2.318 537 L HA 0.245 4.597 4.340 0.020 0.000 0.277 537 L C 0.510 177.393 176.870 0.020 0.000 1.008 537 L CA -0.284 54.585 54.840 0.048 0.000 0.846 537 L CB 1.562 43.681 42.059 0.101 0.000 1.220 537 L HN -0.049 nan 8.230 nan 0.000 0.423 538 S N 1.893 117.575 115.700 -0.030 0.000 2.566 538 S HA 0.080 4.562 4.470 0.020 0.000 0.280 538 S C 1.780 176.079 174.600 -0.502 0.000 1.343 538 S CA -0.006 58.079 58.200 -0.190 0.000 1.036 538 S CB 0.746 63.857 63.200 -0.150 0.000 0.866 538 S HN 0.536 nan 8.310 nan 0.000 0.526 539 V N 3.917 123.390 119.914 -0.734 0.000 2.370 539 V HA -0.131 4.001 4.120 0.020 0.000 0.252 539 V C 2.092 177.871 176.094 -0.525 0.000 1.068 539 V CA 2.122 63.782 62.300 -1.067 0.000 1.061 539 V CB -1.348 30.224 31.823 -0.417 0.000 0.656 539 V HN 0.695 nan 8.190 nan 0.000 0.455 540 V N -0.072 119.629 119.914 -0.356 0.000 2.759 540 V HA -0.117 4.015 4.120 0.020 0.000 0.256 540 V C 1.585 177.598 176.094 -0.135 0.000 1.080 540 V CA 1.461 63.618 62.300 -0.239 0.000 1.101 540 V CB -1.193 30.426 31.823 -0.341 0.000 0.698 540 V HN 0.752 nan 8.190 nan 0.000 0.477 541 H N 1.515 120.485 119.070 -0.167 0.000 2.897 541 H HA 0.042 4.610 4.556 0.020 0.000 0.347 541 H C -1.031 174.269 175.328 -0.046 0.000 1.068 541 H CA -0.867 55.137 56.048 -0.075 0.000 1.426 541 H CB 1.196 30.962 29.762 0.007 0.000 1.410 541 H HN 0.032 nan 8.280 nan 0.000 0.597 542 P HA -0.195 nan 4.420 nan 0.000 0.216 542 P C 1.386 178.844 177.300 0.264 0.000 1.153 542 P CA 1.066 64.040 63.100 -0.210 0.000 0.848 542 P CB 0.387 31.348 31.700 -1.231 0.000 0.787 543 I N -1.015 119.811 120.570 0.427 0.000 2.361 543 I HA -0.219 3.963 4.170 0.020 0.000 0.251 543 I C 2.623 178.860 176.117 0.201 0.000 1.133 543 I CA 1.173 62.661 61.300 0.313 0.000 1.413 543 I CB -1.765 36.423 38.000 0.313 0.000 1.073 543 I HN -0.062 nan 8.210 nan 0.000 0.424 544 Y N 2.493 122.871 120.300 0.130 0.000 2.181 544 Y HA -0.226 4.336 4.550 0.020 0.000 0.288 544 Y C 2.390 178.323 175.900 0.055 0.000 1.146 544 Y CA 1.796 59.951 58.100 0.092 0.000 1.164 544 Y CB -0.249 38.266 38.460 0.091 0.000 0.982 544 Y HN 0.092 nan 8.280 nan 0.000 0.515 545 K N -0.322 120.267 120.400 0.314 0.000 2.288 545 K HA -0.100 4.232 4.320 0.020 0.000 0.201 545 K C 1.873 178.389 176.600 -0.139 0.000 1.048 545 K CA 1.101 57.493 56.287 0.176 0.000 0.956 545 K CB -0.241 32.498 32.500 0.398 0.000 0.746 545 K HN 0.326 nan 8.250 nan 0.000 0.461 546 L N 0.679 121.744 121.223 -0.263 0.000 2.109 546 L HA -0.094 4.258 4.340 0.020 0.000 0.207 546 L C 1.736 178.456 176.870 -0.249 0.000 1.086 546 L CA 1.436 55.984 54.840 -0.487 0.000 0.760 546 L CB -0.098 41.548 42.059 -0.690 0.000 0.910 546 L HN 0.012 nan 8.230 nan 0.000 0.437 547 L N -1.147 119.933 121.223 -0.239 0.000 2.168 547 L HA -0.072 4.280 4.340 0.020 0.000 0.203 547 L C 2.512 178.993 176.870 -0.649 0.000 1.078 547 L CA 1.497 56.132 54.840 -0.342 0.000 0.780 547 L CB -1.348 40.556 42.059 -0.257 0.000 0.939 547 L HN 0.421 nan 8.230 nan 0.000 0.451 548 H N 1.204 119.880 119.070 -0.657 0.000 2.297 548 H HA -0.167 4.401 4.556 0.020 0.000 0.289 548 H C -0.737 174.317 175.328 -0.457 0.000 1.105 548 H CA 2.601 58.297 56.048 -0.586 0.000 1.219 548 H CB -0.659 28.837 29.762 -0.443 0.000 1.351 548 H HN 0.212 nan 8.280 nan 0.000 0.481 549 P HA -0.115 nan 4.420 nan 0.000 0.226 549 P C 0.737 177.675 177.300 -0.605 0.000 1.153 549 P CA 1.336 64.121 63.100 -0.525 0.000 0.777 549 P CB -0.238 31.120 31.700 -0.570 0.000 0.794 550 H N -2.060 116.772 119.070 -0.397 0.000 2.533 550 H HA 0.095 4.662 4.556 0.020 0.000 0.271 550 H C 0.484 175.734 175.328 -0.129 0.000 1.000 550 H CA 0.424 56.304 56.048 -0.279 0.000 1.149 550 H CB 0.037 29.637 29.762 -0.269 0.000 1.375 550 H HN 0.213 nan 8.280 nan 0.000 0.582 551 Y N 0.081 120.307 120.300 -0.123 0.000 2.481 551 Y HA 0.174 4.735 4.550 0.019 0.000 0.247 551 Y C 1.311 177.131 175.900 -0.133 0.000 1.151 551 Y CA -0.824 57.209 58.100 -0.111 0.000 1.238 551 Y CB 0.068 38.454 38.460 -0.124 0.000 1.179 551 Y HN -0.048 nan 8.280 nan 0.000 0.524 552 R N 2.075 122.509 120.500 -0.111 0.000 2.513 552 R HA -0.097 4.255 4.340 0.020 0.000 0.333 552 R C -0.093 176.074 176.300 -0.221 0.000 0.925 552 R CA 0.815 56.734 56.100 -0.303 0.000 1.072 552 R CB -0.232 29.754 30.300 -0.524 0.000 0.914 552 R HN 0.285 nan 8.270 nan 0.000 0.408 553 D N 1.748 122.166 120.400 0.030 0.000 3.059 553 D HA -0.180 4.472 4.640 0.020 0.000 0.213 553 D C 0.608 176.972 176.300 0.105 0.000 1.144 553 D CA 2.039 56.146 54.000 0.179 0.000 0.975 553 D CB -0.606 40.234 40.800 0.066 0.000 1.125 553 D HN 0.702 nan 8.370 nan 0.000 0.412 554 T N -0.824 113.765 114.554 0.059 0.000 2.737 554 T HA -0.054 4.308 4.350 0.020 0.000 0.265 554 T C 2.095 176.830 174.700 0.060 0.000 1.038 554 T CA 1.270 63.380 62.100 0.016 0.000 1.144 554 T CB -0.124 68.732 68.868 -0.021 0.000 0.866 554 T HN 0.302 nan 8.240 nan 0.000 0.434 555 M N 1.319 120.955 119.600 0.060 0.000 2.358 555 M HA -0.098 4.394 4.480 0.020 0.000 0.264 555 M C 2.317 178.649 176.300 0.052 0.000 1.064 555 M CA 1.095 56.417 55.300 0.037 0.000 1.093 555 M CB -0.452 32.148 32.600 -0.000 0.000 1.401 555 M HN 0.368 nan 8.290 nan 0.000 0.440 556 N N 0.734 119.491 118.700 0.095 0.000 2.148 556 N HA -0.121 4.631 4.740 0.020 0.000 0.186 556 N C 1.835 177.422 175.510 0.129 0.000 1.031 556 N CA 0.631 53.742 53.050 0.102 0.000 0.848 556 N CB 0.199 38.781 38.487 0.159 0.000 1.005 556 N HN 0.218 nan 8.380 nan 0.000 0.427 557 I N 1.967 122.634 120.570 0.161 0.000 2.361 557 I HA -0.203 3.979 4.170 0.020 0.000 0.251 557 I C 1.072 177.326 176.117 0.229 0.000 1.133 557 I CA 1.343 62.762 61.300 0.198 0.000 1.413 557 I CB -0.836 37.304 38.000 0.234 0.000 1.073 557 I HN 0.226 nan 8.210 nan 0.000 0.424 558 N N 1.221 120.067 118.700 0.243 0.000 2.244 558 N HA -0.079 4.673 4.740 0.020 0.000 0.183 558 N C 1.865 177.493 175.510 0.196 0.000 1.016 558 N CA 1.284 54.514 53.050 0.301 0.000 0.866 558 N CB -0.681 37.946 38.487 0.232 0.000 0.980 558 N HN 0.455 nan 8.380 nan 0.000 0.430 559 G N 1.055 109.918 108.800 0.105 0.000 2.418 559 G HA2 -0.200 3.771 3.960 0.020 0.000 0.217 559 G HA3 -0.200 3.771 3.960 0.020 0.000 0.217 559 G C 1.565 176.494 174.900 0.048 0.000 1.158 559 G CA 0.643 45.772 45.100 0.048 0.000 0.771 559 G HN 0.327 nan 8.290 nan 0.000 0.545 560 L N 0.960 122.224 121.223 0.068 0.000 2.156 560 L HA 0.291 4.643 4.340 0.020 0.000 0.208 560 L C 2.960 179.840 176.870 0.018 0.000 1.095 560 L CA 1.986 56.854 54.840 0.046 0.000 0.770 560 L CB -0.420 41.681 42.059 0.072 0.000 0.914 560 L HN 0.194 nan 8.230 nan 0.000 0.439 561 A N 0.207 123.048 122.820 0.035 0.000 1.902 561 A HA -0.197 4.134 4.320 0.020 0.000 0.217 561 A C 2.380 179.874 177.584 -0.150 0.000 1.181 561 A CA 1.791 53.777 52.037 -0.085 0.000 0.623 561 A CB -0.553 18.378 19.000 -0.116 0.000 0.818 561 A HN 0.546 nan 8.150 nan 0.000 0.443 562 R N -1.174 119.288 120.500 -0.064 0.000 2.115 562 R HA -0.030 4.322 4.340 0.020 0.000 0.230 562 R C 2.005 178.267 176.300 -0.063 0.000 1.111 562 R CA 1.226 57.287 56.100 -0.065 0.000 0.976 562 R CB -0.491 29.800 30.300 -0.014 0.000 0.870 562 R HN 0.468 nan 8.270 nan 0.000 0.445 563 L N -0.044 121.153 121.223 -0.043 0.000 2.109 563 L HA -0.060 4.292 4.340 0.020 0.000 0.207 563 L C 1.476 178.316 176.870 -0.051 0.000 1.086 563 L CA 1.692 56.509 54.840 -0.038 0.000 0.760 563 L CB 0.241 42.288 42.059 -0.021 0.000 0.910 563 L HN -0.011 nan 8.230 nan 0.000 0.437 564 S N -2.573 113.089 115.700 -0.064 0.000 2.882 564 S HA 0.186 4.668 4.470 0.020 0.000 0.258 564 S C 1.278 175.823 174.600 -0.092 0.000 1.081 564 S CA -0.253 57.908 58.200 -0.065 0.000 0.886 564 S CB 0.179 63.353 63.200 -0.042 0.000 0.855 564 S HN 0.085 nan 8.310 nan 0.000 0.467 565 L N 0.962 122.108 121.223 -0.129 0.000 2.127 565 L HA 0.323 4.674 4.340 0.020 0.000 0.203 565 L C 1.587 178.309 176.870 -0.247 0.000 1.080 565 L CA 1.278 56.018 54.840 -0.168 0.000 0.768 565 L CB -0.483 41.464 42.059 -0.188 0.000 0.924 565 L HN 0.208 nan 8.230 nan 0.000 0.444 566 V N 0.330 120.047 119.914 -0.327 0.000 3.253 566 V HA 0.169 4.301 4.120 0.020 0.000 0.320 566 V C 0.417 176.359 176.094 -0.253 0.000 1.442 566 V CA -0.270 61.796 62.300 -0.390 0.000 1.097 566 V CB -0.207 31.150 31.823 -0.777 0.000 1.008 566 V HN 0.507 nan 8.190 nan 0.000 0.463 567 N N -0.496 118.098 118.700 -0.177 0.000 2.418 567 N HA 0.044 4.796 4.740 0.020 0.000 0.283 567 N C 1.025 176.463 175.510 -0.120 0.000 1.267 567 N CA 0.189 53.165 53.050 -0.124 0.000 0.975 567 N CB 0.307 38.740 38.487 -0.090 0.000 1.167 567 N HN 0.055 nan 8.380 nan 0.000 0.581 568 D N -1.822 118.519 120.400 -0.099 0.000 2.203 568 D HA -0.102 4.550 4.640 0.020 0.000 0.199 568 D C 0.985 177.199 176.300 -0.143 0.000 0.997 568 D CA 1.937 55.869 54.000 -0.114 0.000 0.863 568 D CB -0.425 40.326 40.800 -0.081 0.000 0.928 568 D HN 0.758 nan 8.370 nan 0.000 0.458 569 G N -1.477 107.253 108.800 -0.117 0.000 4.299 569 G HA2 0.405 4.376 3.960 0.020 0.000 0.290 569 G HA3 0.405 4.376 3.960 0.020 0.000 0.290 569 G C 0.596 175.444 174.900 -0.085 0.000 1.019 569 G CA 0.008 45.040 45.100 -0.114 0.000 0.790 569 G HN 0.411 nan 8.290 nan 0.000 0.452 570 G N 0.111 108.856 108.800 -0.092 0.000 2.744 570 G HA2 0.307 4.278 3.960 0.020 0.000 0.257 570 G HA3 0.307 4.278 3.960 0.020 0.000 0.257 570 G C 1.550 176.408 174.900 -0.071 0.000 1.244 570 G CA 0.516 45.566 45.100 -0.084 0.000 0.916 570 G HN 0.745 nan 8.290 nan 0.000 0.564 571 V N -0.955 118.923 119.914 -0.060 0.000 2.358 571 V HA -0.107 4.025 4.120 0.020 0.000 0.246 571 V C 2.573 178.672 176.094 0.008 0.000 1.047 571 V CA 1.703 63.975 62.300 -0.046 0.000 1.035 571 V CB -0.807 30.997 31.823 -0.033 0.000 0.658 571 V HN 0.621 nan 8.190 nan 0.000 0.452 572 I N 0.393 120.986 120.570 0.039 0.000 2.252 572 I HA -0.171 4.010 4.170 0.020 0.000 0.245 572 I C 2.915 179.126 176.117 0.155 0.000 1.102 572 I CA 1.941 63.357 61.300 0.194 0.000 1.385 572 I CB -0.401 37.562 38.000 -0.061 0.000 1.064 572 I HN 0.383 nan 8.210 nan 0.000 0.414 573 E N 0.357 120.557 120.200 0.001 0.000 2.085 573 E HA -0.274 4.087 4.350 0.020 0.000 0.194 573 E C 2.167 178.744 176.600 -0.037 0.000 0.994 573 E CA 1.203 57.584 56.400 -0.032 0.000 0.801 573 E CB -0.064 29.581 29.700 -0.092 0.000 0.743 573 E HN 0.588 nan 8.360 nan 0.000 0.453 574 Q N -0.579 119.187 119.800 -0.057 0.000 2.212 574 Q HA -0.027 4.325 4.340 0.020 0.000 0.199 574 Q C 1.571 177.484 176.000 -0.144 0.000 0.950 574 Q CA 1.146 56.896 55.803 -0.088 0.000 0.863 574 Q CB 0.422 29.106 28.738 -0.091 0.000 0.944 574 Q HN 0.160 nan 8.270 nan 0.000 0.465 575 T N -0.319 114.121 114.554 -0.190 0.000 3.044 575 T HA 0.159 4.521 4.350 0.020 0.000 0.250 575 T C -0.268 173.962 174.700 -0.784 0.000 1.081 575 T CA 0.220 62.045 62.100 -0.459 0.000 1.040 575 T CB 0.185 68.752 68.868 -0.501 0.000 0.962 575 T HN -0.053 nan 8.240 nan 0.000 0.506 576 F N 0.084 119.963 119.950 -0.119 0.000 2.561 576 F HA 0.470 5.008 4.527 0.019 0.000 0.321 576 F C 0.841 176.595 175.800 -0.077 0.000 1.065 576 F CA -1.477 56.443 58.000 -0.134 0.000 0.934 576 F CB 1.356 40.238 39.000 -0.197 0.000 1.215 576 F HN -0.249 nan 8.300 nan 0.000 0.471 577 L N 1.788 123.053 121.223 0.070 0.000 2.064 577 L HA -0.245 4.106 4.340 0.020 0.000 0.216 577 L C 1.696 178.753 176.870 0.313 0.000 1.077 577 L CA 2.110 57.033 54.840 0.140 0.000 0.766 577 L CB -0.442 41.708 42.059 0.153 0.000 0.890 577 L HN 0.660 nan 8.230 nan 0.000 0.435 578 W N 0.082 121.441 121.300 0.099 0.000 2.465 578 W HA 0.237 4.910 4.660 0.021 0.000 0.268 578 W C 1.855 178.416 176.519 0.071 0.000 1.242 578 W CA 1.007 58.402 57.345 0.084 0.000 1.248 578 W CB -1.628 27.849 29.460 0.027 0.000 1.118 578 W HN 0.443 nan 8.180 nan 0.000 0.587 579 G N 1.381 110.315 108.800 0.223 0.000 2.583 579 G HA2 -0.436 3.536 3.960 0.020 0.000 0.292 579 G HA3 -0.436 3.536 3.960 0.020 0.000 0.292 579 G C 1.196 176.054 174.900 -0.071 0.000 1.203 579 G CA 1.366 46.496 45.100 0.051 0.000 0.987 579 G HN 0.371 nan 8.290 nan 0.000 0.554 580 R N -0.591 119.740 120.500 -0.281 0.000 2.237 580 R HA 0.115 4.467 4.340 0.020 0.000 0.219 580 R C 2.021 178.049 176.300 -0.452 0.000 1.080 580 R CA 2.104 57.964 56.100 -0.400 0.000 0.995 580 R CB -0.338 29.657 30.300 -0.507 0.000 0.875 580 R HN 0.553 nan 8.270 nan 0.000 0.462 581 Y N 1.239 121.543 120.300 0.007 0.000 2.502 581 Y HA 0.223 4.785 4.550 0.020 0.000 0.295 581 Y C 2.017 177.821 175.900 -0.159 0.000 1.193 581 Y CA -0.231 57.813 58.100 -0.094 0.000 1.295 581 Y CB 0.075 38.484 38.460 -0.084 0.000 1.059 581 Y HN 0.059 nan 8.280 nan 0.000 0.514 582 S N -0.162 115.567 115.700 0.048 0.000 2.351 582 S HA -0.166 4.316 4.470 0.020 0.000 0.220 582 S C 2.126 176.762 174.600 0.059 0.000 1.035 582 S CA 1.869 60.174 58.200 0.174 0.000 1.031 582 S CB -0.531 62.725 63.200 0.093 0.000 0.928 582 S HN 0.292 nan 8.310 nan 0.000 0.433 583 V N 1.738 121.579 119.914 -0.121 0.000 2.871 583 V HA -0.068 4.064 4.120 0.020 0.000 0.256 583 V C 2.068 177.976 176.094 -0.310 0.000 1.082 583 V CA 1.219 63.401 62.300 -0.197 0.000 1.105 583 V CB -0.771 30.872 31.823 -0.300 0.000 0.713 583 V HN 0.462 nan 8.190 nan 0.000 0.473 584 E N 0.125 120.097 120.200 -0.379 0.000 2.047 584 E HA -0.171 4.191 4.350 0.020 0.000 0.191 584 E C 2.243 178.665 176.600 -0.296 0.000 0.987 584 E CA 1.285 57.331 56.400 -0.590 0.000 0.799 584 E CB -0.255 29.063 29.700 -0.637 0.000 0.752 584 E HN 0.466 nan 8.360 nan 0.000 0.449 585 M N 1.142 120.517 119.600 -0.375 0.000 2.202 585 M HA -0.172 4.319 4.480 0.020 0.000 0.262 585 M C 2.593 178.834 176.300 -0.099 0.000 1.063 585 M CA 1.575 56.612 55.300 -0.438 0.000 1.097 585 M CB -0.444 31.571 32.600 -0.975 0.000 1.382 585 M HN 0.152 nan 8.290 nan 0.000 0.413 586 S N 0.417 116.166 115.700 0.081 0.000 2.402 586 S HA -0.042 4.440 4.470 0.020 0.000 0.229 586 S C 1.954 176.730 174.600 0.294 0.000 1.021 586 S CA 0.962 59.306 58.200 0.240 0.000 0.974 586 S CB -0.392 62.978 63.200 0.283 0.000 0.800 586 S HN 0.454 nan 8.310 nan 0.000 0.484 587 A N 0.870 123.802 122.820 0.185 0.000 2.067 587 A HA 0.277 4.609 4.320 0.020 0.000 0.217 587 A C 2.235 180.086 177.584 0.445 0.000 1.156 587 A CA 0.982 53.239 52.037 0.367 0.000 0.683 587 A CB -0.631 18.411 19.000 0.069 0.000 0.808 587 A HN 0.449 nan 8.150 nan 0.000 0.455 588 V N -0.570 119.554 119.914 0.349 0.000 2.407 588 V HA -0.153 3.979 4.120 0.020 0.000 0.245 588 V C 2.440 178.690 176.094 0.261 0.000 1.041 588 V CA 1.780 64.261 62.300 0.301 0.000 1.040 588 V CB -0.335 31.637 31.823 0.248 0.000 0.671 588 V HN 0.354 nan 8.190 nan 0.000 0.455 589 V N -0.831 119.235 119.914 0.254 0.000 2.809 589 V HA -0.210 3.921 4.120 0.020 0.000 0.256 589 V C 2.158 178.446 176.094 0.324 0.000 1.080 589 V CA 1.563 64.023 62.300 0.266 0.000 1.102 589 V CB -0.863 31.110 31.823 0.251 0.000 0.705 589 V HN 0.679 nan 8.190 nan 0.000 0.475 590 Y N 1.334 121.779 120.300 0.242 0.000 2.352 590 Y HA -0.131 4.431 4.550 0.020 0.000 0.292 590 Y C 2.315 178.392 175.900 0.294 0.000 1.136 590 Y CA 1.105 59.353 58.100 0.248 0.000 1.227 590 Y CB -0.267 38.321 38.460 0.213 0.000 0.991 590 Y HN 0.166 nan 8.280 nan 0.000 0.545 591 K N -0.076 120.453 120.400 0.215 0.000 2.089 591 K HA -0.224 4.108 4.320 0.020 0.000 0.210 591 K C 1.154 177.794 176.600 0.066 0.000 1.048 591 K CA 1.903 58.258 56.287 0.115 0.000 0.926 591 K CB -0.202 32.388 32.500 0.149 0.000 0.714 591 K HN 0.425 nan 8.250 nan 0.000 0.448 592 D N -1.066 119.399 120.400 0.107 0.000 2.350 592 D HA -0.064 4.588 4.640 0.020 0.000 0.213 592 D C 0.194 176.517 176.300 0.039 0.000 1.031 592 D CA 0.033 54.078 54.000 0.075 0.000 0.861 592 D CB -0.155 40.706 40.800 0.100 0.000 0.926 592 D HN 0.211 nan 8.370 nan 0.000 0.520 593 W N 2.875 124.099 121.300 -0.127 0.000 2.489 593 W HA 0.145 4.817 4.660 0.020 0.000 0.327 593 W C -0.175 176.123 176.519 -0.369 0.000 1.436 593 W CA -0.283 56.973 57.345 -0.150 0.000 1.315 593 W CB 0.488 29.953 29.460 0.007 0.000 1.373 593 W HN -0.293 nan 8.180 nan 0.000 0.557 594 V N 9.574 128.827 119.914 -1.101 0.000 2.378 594 V HA 0.240 4.372 4.120 0.020 0.000 0.288 594 V C 0.645 175.600 176.094 -1.898 0.000 1.016 594 V CA -0.826 60.342 62.300 -1.887 0.000 0.840 594 V CB 0.717 31.614 31.823 -1.543 0.000 0.994 594 V HN 0.714 nan 8.190 nan 0.000 0.431 595 F N 4.964 123.562 119.950 -2.255 0.000 2.085 595 F HA -0.220 4.318 4.527 0.019 0.000 0.299 595 F C 2.327 177.723 175.800 -0.674 0.000 1.096 595 F CA 3.158 60.374 58.000 -1.307 0.000 1.227 595 F CB -0.417 38.261 39.000 -0.536 0.000 0.983 595 F HN 0.741 nan 8.300 nan 0.000 0.482 596 T N -3.196 110.971 114.554 -0.645 0.000 3.055 596 T HA -0.070 4.292 4.350 0.020 0.000 0.265 596 T C 1.208 175.614 174.700 -0.491 0.000 1.111 596 T CA 1.036 62.852 62.100 -0.473 0.000 1.118 596 T CB -0.419 68.333 68.868 -0.193 0.000 0.909 596 T HN 0.199 nan 8.240 nan 0.000 0.501 597 D N 1.194 121.256 120.400 -0.563 0.000 2.340 597 D HA 0.055 4.707 4.640 0.020 0.000 0.220 597 D C 1.958 178.037 176.300 -0.369 0.000 1.039 597 D CA 0.172 53.918 54.000 -0.423 0.000 0.866 597 D CB 0.031 40.597 40.800 -0.390 0.000 0.913 597 D HN 0.424 nan 8.370 nan 0.000 0.523 598 Q N 0.346 119.897 119.800 -0.414 0.000 2.331 598 Q HA 0.116 4.467 4.340 0.020 0.000 0.203 598 Q C 0.815 176.636 176.000 -0.298 0.000 0.944 598 Q CA 0.162 55.827 55.803 -0.231 0.000 0.892 598 Q CB 0.064 28.703 28.738 -0.163 0.000 0.983 598 Q HN 0.152 nan 8.270 nan 0.000 0.482 599 A N 1.803 124.322 122.820 -0.502 0.000 2.524 599 A HA 0.043 4.375 4.320 0.020 0.000 0.250 599 A C 1.234 178.178 177.584 -1.067 0.000 1.078 599 A CA -0.151 51.351 52.037 -0.892 0.000 0.761 599 A CB 0.068 18.684 19.000 -0.638 0.000 1.012 599 A HN 0.279 nan 8.150 nan 0.000 0.500 600 L N 5.069 125.293 121.223 -1.664 0.000 1.990 600 L HA -0.094 4.257 4.340 0.020 0.000 0.213 600 L C -0.386 175.980 176.870 -0.840 0.000 1.072 600 L CA 3.043 57.172 54.840 -1.184 0.000 0.755 600 L CB -1.003 40.131 42.059 -1.542 0.000 0.889 600 L HN 0.601 nan 8.230 nan 0.000 0.432 601 P HA -0.115 nan 4.420 nan 0.000 0.221 601 P C 1.332 178.425 177.300 -0.345 0.000 1.150 601 P CA 1.831 64.640 63.100 -0.485 0.000 0.800 601 P CB -0.156 31.302 31.700 -0.404 0.000 0.787 602 A N 0.461 123.042 122.820 -0.398 0.000 1.898 602 A HA -0.209 4.123 4.320 0.020 0.000 0.216 602 A C 2.190 179.630 177.584 -0.239 0.000 1.181 602 A CA 2.129 53.994 52.037 -0.286 0.000 0.620 602 A CB -1.649 17.160 19.000 -0.319 0.000 0.819 602 A HN 0.170 nan 8.150 nan 0.000 0.442 603 D N -0.839 119.399 120.400 -0.271 0.000 2.078 603 D HA -0.143 4.509 4.640 0.020 0.000 0.193 603 D C 1.773 178.015 176.300 -0.097 0.000 0.990 603 D CA 1.115 55.017 54.000 -0.163 0.000 0.827 603 D CB -0.150 40.578 40.800 -0.120 0.000 0.975 603 D HN 0.142 nan 8.370 nan 0.000 0.451 604 L N 0.579 121.734 121.223 -0.114 0.000 2.043 604 L HA -0.155 4.197 4.340 0.020 0.000 0.212 604 L C 2.258 179.109 176.870 -0.032 0.000 1.075 604 L CA 1.442 56.251 54.840 -0.052 0.000 0.752 604 L CB -0.693 41.294 42.059 -0.119 0.000 0.891 604 L HN 0.318 nan 8.230 nan 0.000 0.432 605 I N -1.115 119.413 120.570 -0.071 0.000 2.202 605 I HA -0.324 3.858 4.170 0.020 0.000 0.242 605 I C 2.521 178.616 176.117 -0.037 0.000 1.091 605 I CA 1.182 62.453 61.300 -0.048 0.000 1.368 605 I CB -0.387 37.571 38.000 -0.070 0.000 1.058 605 I HN 0.253 nan 8.210 nan 0.000 0.410 606 K N 1.198 121.561 120.400 -0.061 0.000 2.127 606 K HA -0.205 4.127 4.320 0.020 0.000 0.208 606 K C 2.011 178.599 176.600 -0.020 0.000 1.047 606 K CA 1.650 57.903 56.287 -0.056 0.000 0.927 606 K CB -0.007 32.441 32.500 -0.088 0.000 0.716 606 K HN 0.263 nan 8.250 nan 0.000 0.450 607 R N -1.279 119.223 120.500 0.002 0.000 2.317 607 R HA 0.069 4.421 4.340 0.020 0.000 0.208 607 R C 0.798 177.137 176.300 0.064 0.000 0.914 607 R CA 0.511 56.633 56.100 0.037 0.000 1.060 607 R CB 0.547 30.882 30.300 0.059 0.000 1.015 607 R HN 0.429 nan 8.270 nan 0.000 0.498 608 G N 1.006 109.837 108.800 0.051 0.000 2.176 608 G HA2 -0.251 3.721 3.960 0.020 0.000 0.252 608 G HA3 -0.251 3.721 3.960 0.020 0.000 0.252 608 G C 0.702 175.676 174.900 0.124 0.000 1.024 608 G CA 0.181 45.319 45.100 0.064 0.000 0.755 608 G HN 0.105 nan 8.290 nan 0.000 0.507 609 M N -0.526 119.155 119.600 0.135 0.000 2.501 609 M HA 0.473 4.965 4.480 0.020 0.000 0.261 609 M C 1.268 177.652 176.300 0.140 0.000 1.129 609 M CA 1.048 56.467 55.300 0.198 0.000 1.126 609 M CB -0.260 32.491 32.600 0.251 0.000 1.359 609 M HN 0.993 nan 8.290 nan 0.000 0.471 610 A N 1.209 124.071 122.820 0.070 0.000 2.449 610 A HA 0.759 5.091 4.320 0.020 0.000 0.302 610 A C -0.493 177.104 177.584 0.021 0.000 1.048 610 A CA -0.843 51.215 52.037 0.036 0.000 0.708 610 A CB 1.486 20.479 19.000 -0.011 0.000 1.274 610 A HN 0.331 nan 8.150 nan 0.000 0.410 611 I N -1.052 119.531 120.570 0.021 0.000 2.525 611 I HA 0.577 4.758 4.170 0.020 0.000 0.301 611 I C 0.041 176.160 176.117 0.002 0.000 0.992 611 I CA -0.614 60.693 61.300 0.011 0.000 1.162 611 I CB 1.429 39.440 38.000 0.018 0.000 1.332 611 I HN 0.639 nan 8.210 nan 0.000 0.458 612 E N 2.964 123.161 120.200 -0.004 0.000 2.398 612 E HA 0.103 4.465 4.350 0.020 0.000 0.263 612 E C -0.956 175.644 176.600 0.000 0.000 1.046 612 E CA 0.371 56.768 56.400 -0.005 0.000 0.908 612 E CB 0.618 30.314 29.700 -0.007 0.000 0.963 612 E HN 0.554 nan 8.360 nan 0.000 0.431 613 D N 2.717 123.117 120.400 0.000 0.000 2.251 613 D HA 0.049 4.701 4.640 0.020 0.000 0.210 613 D C -2.197 174.101 176.300 -0.003 0.000 1.304 613 D CA -1.258 52.742 54.000 0.000 0.000 0.912 613 D CB 1.161 41.963 40.800 0.003 0.000 1.553 613 D HN 0.079 nan 8.370 nan 0.000 0.526 614 P HA -0.174 nan 4.420 nan 0.000 0.216 614 P C 1.248 178.537 177.300 -0.018 0.000 1.153 614 P CA 0.938 64.032 63.100 -0.010 0.000 0.858 614 P CB 0.321 32.016 31.700 -0.009 0.000 0.789 615 S N -0.264 115.426 115.700 -0.017 0.000 2.387 615 S HA -0.120 4.362 4.470 0.020 0.000 0.230 615 S C 1.389 175.971 174.600 -0.030 0.000 1.035 615 S CA 0.870 59.058 58.200 -0.021 0.000 1.014 615 S CB -1.349 61.843 63.200 -0.014 0.000 0.836 615 S HN 0.239 nan 8.310 nan 0.000 0.466 616 C N 4.268 123.553 119.300 -0.025 0.000 2.593 616 C HA 0.232 4.704 4.460 0.020 0.000 0.409 616 C C -0.522 174.429 174.990 -0.066 0.000 1.304 616 C CA -1.641 57.357 59.018 -0.033 0.000 2.007 616 C CB 0.329 28.063 27.740 -0.011 0.000 2.614 616 C HN 0.395 nan 8.230 nan 0.000 0.585 617 P HA -0.150 nan 4.420 nan 0.000 0.231 617 P C 0.201 177.210 177.300 -0.485 0.000 1.154 617 P CA 1.631 64.568 63.100 -0.272 0.000 0.762 617 P CB -0.135 31.382 31.700 -0.306 0.000 0.790 618 H N -2.392 116.670 119.070 -0.014 0.000 2.885 618 H HA 0.355 4.923 4.556 0.020 0.000 0.254 618 H C 1.344 176.664 175.328 -0.013 0.000 1.185 618 H CA 0.267 56.310 56.048 -0.009 0.000 1.029 618 H CB 0.538 30.291 29.762 -0.015 0.000 1.743 618 H HN 0.090 nan 8.280 nan 0.000 0.632 619 G N 1.354 110.181 108.800 0.044 0.000 2.179 619 G HA2 -0.282 3.690 3.960 0.020 0.000 0.260 619 G HA3 -0.282 3.690 3.960 0.020 0.000 0.260 619 G C 0.239 175.149 174.900 0.018 0.000 0.977 619 G CA 0.577 45.691 45.100 0.024 0.000 0.641 619 G HN 0.474 nan 8.290 nan 0.000 0.533 620 I N -3.476 117.111 120.570 0.028 0.000 2.894 620 I HA 0.830 5.012 4.170 0.020 0.000 0.302 620 I C -0.403 175.726 176.117 0.020 0.000 1.188 620 I CA -1.657 59.651 61.300 0.013 0.000 1.014 620 I CB 2.082 40.077 38.000 -0.008 0.000 1.242 620 I HN -0.022 nan 8.210 nan 0.000 0.430 621 R N 4.113 124.622 120.500 0.015 0.000 2.460 621 R HA 0.608 4.960 4.340 0.020 0.000 0.303 621 R C -1.691 174.627 176.300 0.030 0.000 0.968 621 R CA -0.793 55.320 56.100 0.021 0.000 0.889 621 R CB 1.746 32.057 30.300 0.018 0.000 1.123 621 R HN 0.857 nan 8.270 nan 0.000 0.455 622 L N 4.427 125.673 121.223 0.038 0.000 2.305 622 L HA 0.274 4.626 4.340 0.020 0.000 0.281 622 L C 0.348 177.271 176.870 0.088 0.000 1.085 622 L CA -0.693 54.182 54.840 0.058 0.000 0.813 622 L CB 1.639 43.728 42.059 0.050 0.000 1.157 622 L HN 0.433 nan 8.230 nan 0.000 0.436 623 V N 3.810 123.803 119.914 0.130 0.000 2.546 623 V HA 0.414 4.545 4.120 0.020 0.000 0.284 623 V C 0.420 176.615 176.094 0.169 0.000 1.050 623 V CA -0.736 61.669 62.300 0.174 0.000 0.981 623 V CB 0.869 32.842 31.823 0.251 0.000 0.990 623 V HN 0.731 nan 8.190 nan 0.000 0.474 624 I N 2.124 122.763 120.570 0.115 0.000 7.874 624 I HA -0.197 3.985 4.170 0.020 0.000 0.126 624 I C 1.193 177.367 176.117 0.095 0.000 1.833 624 I CA 1.187 62.502 61.300 0.026 0.000 2.070 624 I CB -0.701 37.199 38.000 -0.166 0.000 3.702 624 I HN 1.037 nan 8.210 nan 0.000 0.179 625 E N 3.306 123.544 120.200 0.064 0.000 2.250 625 E HA -0.116 4.246 4.350 0.020 0.000 0.192 625 E C 1.111 177.749 176.600 0.062 0.000 0.986 625 E CA 1.213 57.651 56.400 0.063 0.000 0.849 625 E CB 0.241 29.966 29.700 0.043 0.000 0.797 625 E HN 0.764 nan 8.360 nan 0.000 0.482 626 D N 0.023 120.451 120.400 0.047 0.000 2.371 626 D HA -0.157 4.495 4.640 0.020 0.000 0.221 626 D C 0.051 176.393 176.300 0.070 0.000 0.986 626 D CA 0.195 54.218 54.000 0.038 0.000 0.899 626 D CB -0.127 40.676 40.800 0.006 0.000 0.902 626 D HN 0.151 nan 8.370 nan 0.000 0.530 627 Y N 2.163 122.422 120.300 -0.069 0.000 2.781 627 Y HA 0.033 4.595 4.550 0.019 0.000 0.365 627 Y C -1.685 174.163 175.900 -0.087 0.000 1.291 627 Y CA -2.756 55.293 58.100 -0.086 0.000 1.772 627 Y CB -0.003 38.411 38.460 -0.077 0.000 1.361 627 Y HN 0.005 nan 8.280 nan 0.000 0.484 628 P HA -0.269 nan 4.420 nan 0.000 0.213 628 P C 1.473 178.677 177.300 -0.159 0.000 1.170 628 P CA 1.864 64.889 63.100 -0.125 0.000 0.902 628 P CB -0.253 31.192 31.700 -0.424 0.000 0.789 629 Y N 0.188 120.313 120.300 -0.291 0.000 2.102 629 Y HA -0.277 4.285 4.550 0.019 0.000 0.280 629 Y C 2.245 178.088 175.900 -0.095 0.000 1.178 629 Y CA 2.474 60.542 58.100 -0.055 0.000 1.146 629 Y CB -1.332 37.170 38.460 0.069 0.000 0.968 629 Y HN -0.100 nan 8.280 nan 0.000 0.504 630 T N -0.407 113.816 114.554 -0.551 0.000 2.809 630 T HA -0.103 4.259 4.350 0.020 0.000 0.260 630 T C 2.057 176.515 174.700 -0.404 0.000 1.039 630 T CA 1.454 63.143 62.100 -0.686 0.000 1.141 630 T CB -0.608 67.567 68.868 -1.154 0.000 0.869 630 T HN 0.205 nan 8.240 nan 0.000 0.437 631 V N 2.060 121.816 119.914 -0.263 0.000 2.287 631 V HA -0.202 3.929 4.120 0.020 0.000 0.248 631 V C 2.228 178.278 176.094 -0.073 0.000 1.053 631 V CA 2.026 64.258 62.300 -0.112 0.000 1.027 631 V CB -0.574 31.228 31.823 -0.034 0.000 0.646 631 V HN 0.442 nan 8.190 nan 0.000 0.447 632 D N 0.426 120.804 120.400 -0.036 0.000 2.103 632 D HA -0.052 4.600 4.640 0.020 0.000 0.199 632 D C 2.206 178.506 176.300 0.000 0.000 0.978 632 D CA 1.473 55.491 54.000 0.031 0.000 0.829 632 D CB -0.736 40.150 40.800 0.143 0.000 0.981 632 D HN 0.434 nan 8.370 nan 0.000 0.464 633 G N 0.466 109.225 108.800 -0.069 0.000 2.432 633 G HA2 -0.192 3.780 3.960 0.020 0.000 0.219 633 G HA3 -0.192 3.780 3.960 0.020 0.000 0.219 633 G C 1.465 176.331 174.900 -0.057 0.000 1.135 633 G CA 0.193 45.299 45.100 0.009 0.000 0.767 633 G HN 0.142 nan 8.290 nan 0.000 0.550 634 L N 0.780 121.862 121.223 -0.235 0.000 2.131 634 L HA 0.013 4.365 4.340 0.020 0.000 0.210 634 L C 2.664 179.336 176.870 -0.331 0.000 1.092 634 L CA 1.270 55.891 54.840 -0.365 0.000 0.759 634 L CB -0.506 41.274 42.059 -0.465 0.000 0.903 634 L HN 0.184 nan 8.230 nan 0.000 0.435 635 E N -0.437 119.668 120.200 -0.157 0.000 2.031 635 E HA -0.199 4.162 4.350 0.020 0.000 0.193 635 E C 2.363 178.999 176.600 0.060 0.000 0.994 635 E CA 1.424 57.819 56.400 -0.007 0.000 0.800 635 E CB -0.309 29.422 29.700 0.053 0.000 0.752 635 E HN 0.479 nan 8.360 nan 0.000 0.447 636 I N 0.579 121.222 120.570 0.122 0.000 2.493 636 I HA -0.209 3.973 4.170 0.020 0.000 0.254 636 I C 2.419 178.705 176.117 0.281 0.000 1.160 636 I CA 0.718 62.148 61.300 0.216 0.000 1.445 636 I CB -0.188 37.977 38.000 0.275 0.000 1.086 636 I HN 0.259 nan 8.210 nan 0.000 0.433 637 W N 2.300 123.617 121.300 0.028 0.000 2.378 637 W HA -0.226 4.445 4.660 0.019 0.000 0.313 637 W C 1.766 178.256 176.519 -0.047 0.000 1.197 637 W CA 1.813 59.082 57.345 -0.125 0.000 1.304 637 W CB -0.334 28.791 29.460 -0.559 0.000 1.148 637 W HN 0.121 nan 8.180 nan 0.000 0.494 638 D N 0.577 120.931 120.400 -0.076 0.000 2.182 638 D HA -0.142 4.510 4.640 0.020 0.000 0.201 638 D C 2.418 178.694 176.300 -0.040 0.000 0.986 638 D CA 2.047 55.992 54.000 -0.092 0.000 0.847 638 D CB -0.388 40.462 40.800 0.083 0.000 0.942 638 D HN 0.134 nan 8.370 nan 0.000 0.467 639 A N 0.179 123.037 122.820 0.064 0.000 1.898 639 A HA -0.138 4.194 4.320 0.020 0.000 0.216 639 A C 2.164 179.905 177.584 0.262 0.000 1.181 639 A CA 0.897 53.048 52.037 0.190 0.000 0.620 639 A CB -0.663 18.470 19.000 0.222 0.000 0.819 639 A HN 0.195 nan 8.150 nan 0.000 0.442 640 I N -0.676 119.995 120.570 0.168 0.000 2.226 640 I HA -0.252 3.930 4.170 0.020 0.000 0.245 640 I C 2.542 178.578 176.117 -0.136 0.000 1.100 640 I CA 1.721 63.063 61.300 0.070 0.000 1.374 640 I CB -0.153 37.847 38.000 0.000 0.000 1.057 640 I HN 0.313 nan 8.210 nan 0.000 0.413 641 K N 0.182 120.373 120.400 -0.348 0.000 2.097 641 K HA -0.134 4.197 4.320 0.020 0.000 0.205 641 K C 2.007 178.536 176.600 -0.119 0.000 1.050 641 K CA 1.596 57.669 56.287 -0.357 0.000 0.938 641 K CB 0.028 32.211 32.500 -0.528 0.000 0.718 641 K HN 0.260 nan 8.250 nan 0.000 0.442 642 T N 0.433 114.967 114.554 -0.033 0.000 2.857 642 T HA -0.152 4.209 4.350 0.020 0.000 0.266 642 T C 1.151 175.947 174.700 0.161 0.000 1.048 642 T CA 0.919 63.049 62.100 0.050 0.000 1.139 642 T CB -0.229 68.683 68.868 0.074 0.000 0.874 642 T HN 0.495 nan 8.240 nan 0.000 0.455 643 W N 1.566 122.851 121.300 -0.025 0.000 2.354 643 W HA -0.171 4.501 4.660 0.020 0.000 0.315 643 W C 1.805 178.339 176.519 0.025 0.000 1.206 643 W CA 0.588 57.891 57.345 -0.070 0.000 1.290 643 W CB -0.560 28.582 29.460 -0.530 0.000 1.152 643 W HN -0.003 nan 8.180 nan 0.000 0.489 644 V N 0.822 120.454 119.914 -0.470 0.000 2.343 644 V HA -0.336 3.796 4.120 0.020 0.000 0.247 644 V C 2.375 178.408 176.094 -0.102 0.000 1.051 644 V CA 2.586 64.610 62.300 -0.460 0.000 1.036 644 V CB -1.189 30.454 31.823 -0.299 0.000 0.654 644 V HN 0.331 nan 8.190 nan 0.000 0.451 645 H N 0.171 119.209 119.070 -0.055 0.000 2.321 645 H HA -0.163 4.405 4.556 0.019 0.000 0.300 645 H C 2.321 177.731 175.328 0.137 0.000 1.087 645 H CA 2.269 58.372 56.048 0.091 0.000 1.319 645 H CB 0.068 29.801 29.762 -0.048 0.000 1.379 645 H HN 0.498 nan 8.280 nan 0.000 0.501 646 E N -0.658 119.648 120.200 0.177 0.000 2.038 646 E HA -0.265 4.097 4.350 0.020 0.000 0.195 646 E C 1.966 178.606 176.600 0.066 0.000 1.000 646 E CA 1.395 57.876 56.400 0.135 0.000 0.803 646 E CB -0.327 29.485 29.700 0.187 0.000 0.750 646 E HN 0.541 nan 8.360 nan 0.000 0.448 647 Y N 1.247 121.431 120.300 -0.194 0.000 2.097 647 Y HA -0.282 4.280 4.550 0.020 0.000 0.282 647 Y C 2.312 178.233 175.900 0.035 0.000 1.152 647 Y CA 1.392 59.371 58.100 -0.202 0.000 1.136 647 Y CB -0.350 37.721 38.460 -0.649 0.000 0.975 647 Y HN -0.175 nan 8.280 nan 0.000 0.498 648 V N -0.350 119.694 119.914 0.217 0.000 2.255 648 V HA -0.348 3.784 4.120 0.020 0.000 0.247 648 V C 2.023 178.165 176.094 0.080 0.000 1.051 648 V CA 2.224 64.653 62.300 0.216 0.000 1.018 648 V CB -0.890 31.008 31.823 0.125 0.000 0.641 648 V HN 0.363 nan 8.190 nan 0.000 0.445 649 F N -0.955 118.944 119.950 -0.084 0.000 2.722 649 F HA -0.029 4.510 4.527 0.019 0.000 0.298 649 F C 1.731 177.434 175.800 -0.162 0.000 1.175 649 F CA 0.669 58.594 58.000 -0.125 0.000 1.462 649 F CB -0.225 38.630 39.000 -0.241 0.000 1.111 649 F HN 0.118 nan 8.300 nan 0.000 0.592 650 L N -2.044 119.098 121.223 -0.136 0.000 2.592 650 L HA 0.009 4.361 4.340 0.020 0.000 0.227 650 L C 0.669 177.085 176.870 -0.756 0.000 1.127 650 L CA 1.321 55.903 54.840 -0.430 0.000 0.884 650 L CB -0.462 41.265 42.059 -0.553 0.000 1.065 650 L HN 0.103 nan 8.230 nan 0.000 0.457 651 Y N -3.409 116.693 120.300 -0.330 0.000 2.652 651 Y HA 0.235 4.796 4.550 0.020 0.000 0.274 651 Y C -0.091 175.475 175.900 -0.557 0.000 1.148 651 Y CA -0.641 57.165 58.100 -0.490 0.000 1.219 651 Y CB 0.141 38.193 38.460 -0.681 0.000 1.337 651 Y HN -0.177 nan 8.280 nan 0.000 0.490 652 Y N 1.945 122.202 120.300 -0.071 0.000 2.425 652 Y HA 0.252 4.814 4.550 0.019 0.000 0.347 652 Y C 1.136 176.935 175.900 -0.168 0.000 0.976 652 Y CA -0.939 57.078 58.100 -0.137 0.000 1.190 652 Y CB 0.867 39.193 38.460 -0.223 0.000 1.136 652 Y HN -0.049 nan 8.280 nan 0.000 0.517 653 K N 1.438 121.852 120.400 0.023 0.000 2.148 653 K HA -0.014 4.317 4.320 0.020 0.000 0.204 653 K C 0.195 176.806 176.600 0.017 0.000 1.050 653 K CA 1.177 57.468 56.287 0.005 0.000 0.942 653 K CB 0.156 32.657 32.500 0.001 0.000 0.724 653 K HN 0.694 nan 8.250 nan 0.000 0.446 654 S N -1.173 114.539 115.700 0.018 0.000 2.643 654 S HA 0.206 4.688 4.470 0.020 0.000 0.270 654 S C -0.411 174.174 174.600 -0.025 0.000 1.166 654 S CA -0.987 57.216 58.200 0.005 0.000 0.815 654 S CB 1.248 64.457 63.200 0.016 0.000 1.139 654 S HN -0.130 nan 8.310 nan 0.000 0.472 655 D N 0.753 121.131 120.400 -0.036 0.000 2.224 655 D HA 0.012 4.663 4.640 0.020 0.000 0.205 655 D C 0.820 177.088 176.300 -0.054 0.000 0.965 655 D CA 1.183 55.140 54.000 -0.071 0.000 0.852 655 D CB -0.367 40.404 40.800 -0.049 0.000 0.947 655 D HN 0.599 nan 8.370 nan 0.000 0.494 656 D N -0.310 120.078 120.400 -0.019 0.000 2.178 656 D HA -0.087 4.565 4.640 0.020 0.000 0.201 656 D C 1.824 178.131 176.300 0.010 0.000 0.980 656 D CA 1.061 55.057 54.000 -0.006 0.000 0.842 656 D CB -0.124 40.680 40.800 0.005 0.000 0.948 656 D HN 0.113 nan 8.370 nan 0.000 0.472 657 T N 0.465 115.040 114.554 0.036 0.000 2.788 657 T HA -0.126 4.235 4.350 0.020 0.000 0.268 657 T C 1.955 176.727 174.700 0.119 0.000 1.044 657 T CA 0.534 62.696 62.100 0.105 0.000 1.139 657 T CB -0.238 68.739 68.868 0.183 0.000 0.867 657 T HN 0.151 nan 8.240 nan 0.000 0.454 658 L N 0.665 121.872 121.223 -0.026 0.000 2.044 658 L HA -0.013 4.339 4.340 0.020 0.000 0.205 658 L C 2.747 179.551 176.870 -0.111 0.000 1.075 658 L CA 1.317 56.017 54.840 -0.233 0.000 0.747 658 L CB -0.165 41.615 42.059 -0.464 0.000 0.903 658 L HN 0.062 nan 8.230 nan 0.000 0.435 659 R N -0.100 120.354 120.500 -0.076 0.000 2.127 659 R HA -0.181 4.171 4.340 0.020 0.000 0.238 659 R C 1.822 178.120 176.300 -0.004 0.000 1.134 659 R CA 1.679 57.755 56.100 -0.040 0.000 0.975 659 R CB -0.362 29.920 30.300 -0.029 0.000 0.865 659 R HN 0.548 nan 8.270 nan 0.000 0.447 660 E N 0.549 120.759 120.200 0.016 0.000 2.481 660 E HA -0.058 4.303 4.350 0.020 0.000 0.195 660 E C 0.003 176.640 176.600 0.060 0.000 1.047 660 E CA -0.077 56.344 56.400 0.035 0.000 0.867 660 E CB 0.112 29.836 29.700 0.040 0.000 0.858 660 E HN 0.142 nan 8.360 nan 0.000 0.513 661 D N 1.599 122.050 120.400 0.085 0.000 2.344 661 D HA -0.009 4.643 4.640 0.020 0.000 0.253 661 D C -1.372 174.994 176.300 0.110 0.000 1.255 661 D CA -2.160 51.925 54.000 0.142 0.000 0.894 661 D CB 1.178 42.122 40.800 0.240 0.000 1.067 661 D HN -0.050 nan 8.370 nan 0.000 0.492 662 P HA -0.150 nan 4.420 nan 0.000 0.215 662 P C 0.970 178.315 177.300 0.075 0.000 1.157 662 P CA 1.086 64.228 63.100 0.071 0.000 0.863 662 P CB 0.523 32.263 31.700 0.067 0.000 0.787 663 E N -0.626 119.650 120.200 0.126 0.000 2.106 663 E HA -0.135 4.226 4.350 0.020 0.000 0.192 663 E C 2.131 178.764 176.600 0.056 0.000 0.984 663 E CA 0.621 57.089 56.400 0.113 0.000 0.806 663 E CB -0.507 29.288 29.700 0.158 0.000 0.750 663 E HN 0.108 nan 8.360 nan 0.000 0.458 664 L N 0.921 122.195 121.223 0.084 0.000 2.131 664 L HA -0.147 4.205 4.340 0.020 0.000 0.206 664 L C 2.074 178.987 176.870 0.072 0.000 1.087 664 L CA 1.410 56.285 54.840 0.058 0.000 0.767 664 L CB -0.030 42.077 42.059 0.081 0.000 0.917 664 L HN -0.019 nan 8.230 nan 0.000 0.441 665 Q N -0.140 119.690 119.800 0.050 0.000 2.079 665 Q HA -0.073 4.278 4.340 0.020 0.000 0.200 665 Q C 2.363 178.358 176.000 -0.008 0.000 0.974 665 Q CA 1.612 57.440 55.803 0.041 0.000 0.840 665 Q CB -0.797 27.954 28.738 0.021 0.000 0.898 665 Q HN 0.622 nan 8.270 nan 0.000 0.430 666 A N 0.666 123.431 122.820 -0.092 0.000 1.908 666 A HA -0.225 4.107 4.320 0.020 0.000 0.218 666 A C 2.537 179.888 177.584 -0.388 0.000 1.181 666 A CA 1.671 53.526 52.037 -0.305 0.000 0.627 666 A CB -1.273 17.434 19.000 -0.488 0.000 0.818 666 A HN 0.532 nan 8.150 nan 0.000 0.445 667 C N -1.383 117.812 119.300 -0.175 0.000 2.413 667 C HA -0.153 4.319 4.460 0.020 0.000 0.277 667 C C 2.494 177.537 174.990 0.089 0.000 1.228 667 C CA 1.353 60.398 59.018 0.045 0.000 1.731 667 C CB -1.470 26.378 27.740 0.179 0.000 2.042 667 C HN 0.741 nan 8.230 nan 0.000 0.468 668 W N 1.207 122.468 121.300 -0.065 0.000 2.363 668 W HA -0.088 4.584 4.660 0.019 0.000 0.296 668 W C 2.576 178.994 176.519 -0.169 0.000 1.212 668 W CA 1.647 58.944 57.345 -0.079 0.000 1.260 668 W CB -0.387 29.041 29.460 -0.052 0.000 1.131 668 W HN 0.441 nan 8.180 nan 0.000 0.530 669 K N 0.837 121.171 120.400 -0.111 0.000 2.026 669 K HA -0.264 4.068 4.320 0.020 0.000 0.208 669 K C 1.956 178.363 176.600 -0.321 0.000 1.048 669 K CA 1.862 58.017 56.287 -0.219 0.000 0.929 669 K CB -0.526 31.894 32.500 -0.134 0.000 0.713 669 K HN 0.123 nan 8.250 nan 0.000 0.439 670 E N 0.686 120.735 120.200 -0.252 0.000 2.077 670 E HA -0.167 4.195 4.350 0.020 0.000 0.193 670 E C 1.966 178.352 176.600 -0.356 0.000 0.989 670 E CA 1.125 57.391 56.400 -0.223 0.000 0.800 670 E CB 0.024 29.710 29.700 -0.024 0.000 0.746 670 E HN 0.311 nan 8.360 nan 0.000 0.452 671 L N -0.845 120.118 121.223 -0.433 0.000 2.313 671 L HA 0.013 4.365 4.340 0.020 0.000 0.214 671 L C 2.139 178.561 176.870 -0.747 0.000 1.119 671 L CA 0.753 55.258 54.840 -0.557 0.000 0.809 671 L CB -1.342 40.342 42.059 -0.624 0.000 0.933 671 L HN 0.006 nan 8.230 nan 0.000 0.449 672 V N 1.453 120.766 119.914 -1.002 0.000 2.270 672 V HA -0.211 3.921 4.120 0.020 0.000 0.245 672 V C 2.721 178.410 176.094 -0.676 0.000 1.043 672 V CA 2.099 63.685 62.300 -1.191 0.000 1.014 672 V CB -0.487 30.542 31.823 -1.325 0.000 0.645 672 V HN 0.451 nan 8.190 nan 0.000 0.447 673 E N -0.574 119.320 120.200 -0.509 0.000 2.158 673 E HA -0.071 4.290 4.350 0.020 0.000 0.191 673 E C 1.919 178.333 176.600 -0.310 0.000 0.982 673 E CA 1.206 57.404 56.400 -0.336 0.000 0.823 673 E CB 0.179 29.720 29.700 -0.266 0.000 0.766 673 E HN 0.524 nan 8.360 nan 0.000 0.468 674 V N -0.719 118.944 119.914 -0.418 0.000 2.840 674 V HA 0.123 4.255 4.120 0.020 0.000 0.234 674 V C 2.193 177.904 176.094 -0.638 0.000 1.159 674 V CA 1.007 62.996 62.300 -0.519 0.000 1.194 674 V CB -0.539 30.870 31.823 -0.689 0.000 0.971 674 V HN 0.284 nan 8.190 nan 0.000 0.494 675 G N -0.899 107.445 108.800 -0.760 0.000 2.443 675 G HA2 -0.152 3.820 3.960 0.020 0.000 0.219 675 G HA3 -0.152 3.820 3.960 0.020 0.000 0.219 675 G C 0.959 175.572 174.900 -0.478 0.000 1.131 675 G CA 0.720 45.474 45.100 -0.576 0.000 0.775 675 G HN 0.577 nan 8.290 nan 0.000 0.547 676 H N -0.391 118.528 119.070 -0.253 0.000 2.674 676 H HA 0.235 4.803 4.556 0.019 0.000 0.235 676 H C 1.903 177.243 175.328 0.021 0.000 1.330 676 H CA 0.122 56.171 56.048 0.003 0.000 1.052 676 H CB 0.568 30.434 29.762 0.173 0.000 1.954 676 H HN 0.258 nan 8.280 nan 0.000 0.566 677 G N 0.322 109.102 108.800 -0.033 0.000 2.450 677 G HA2 -0.239 3.733 3.960 0.020 0.000 0.220 677 G HA3 -0.239 3.733 3.960 0.020 0.000 0.220 677 G C 1.233 176.164 174.900 0.052 0.000 1.130 677 G CA 0.489 45.554 45.100 -0.058 0.000 0.760 677 G HN 0.287 nan 8.290 nan 0.000 0.557 678 D N 0.227 120.722 120.400 0.159 0.000 2.219 678 D HA -0.006 4.646 4.640 0.020 0.000 0.205 678 D C 2.055 178.486 176.300 0.219 0.000 0.970 678 D CA 0.800 54.924 54.000 0.206 0.000 0.851 678 D CB -0.015 40.972 40.800 0.311 0.000 0.943 678 D HN 0.290 nan 8.370 nan 0.000 0.488 679 K N 0.601 121.182 120.400 0.302 0.000 2.410 679 K HA 0.048 4.379 4.320 0.020 0.000 0.200 679 K C 1.680 178.440 176.600 0.266 0.000 1.023 679 K CA -0.134 56.351 56.287 0.329 0.000 1.149 679 K CB 0.413 33.263 32.500 0.584 0.000 0.859 679 K HN 0.122 nan 8.250 nan 0.000 0.514 680 K N -0.422 120.026 120.400 0.080 0.000 2.209 680 K HA -0.139 4.193 4.320 0.020 0.000 0.204 680 K C 0.737 177.279 176.600 -0.097 0.000 1.048 680 K CA 1.609 57.838 56.287 -0.098 0.000 0.940 680 K CB -0.064 32.354 32.500 -0.137 0.000 0.729 680 K HN -0.009 nan 8.250 nan 0.000 0.451 681 N N 0.764 119.452 118.700 -0.020 0.000 2.235 681 N HA 0.040 4.792 4.740 0.020 0.000 0.209 681 N C -0.893 174.582 175.510 -0.059 0.000 1.122 681 N CA -0.204 52.827 53.050 -0.032 0.000 0.845 681 N CB 0.507 38.983 38.487 -0.019 0.000 1.004 681 N HN 0.168 nan 8.380 nan 0.000 0.499 682 E N 0.888 121.017 120.200 -0.118 0.000 2.373 682 E HA 0.047 4.409 4.350 0.020 0.000 0.267 682 E C -1.556 174.781 176.600 -0.438 0.000 1.032 682 E CA -1.503 54.619 56.400 -0.464 0.000 0.889 682 E CB 0.825 29.792 29.700 -1.221 0.000 0.984 682 E HN 0.190 nan 8.360 nan 0.000 0.425 683 P HA 0.002 nan 4.420 nan 0.000 0.249 683 P C 0.717 178.025 177.300 0.013 0.000 1.229 683 P CA 0.512 63.562 63.100 -0.084 0.000 0.788 683 P CB 0.057 31.762 31.700 0.009 0.000 1.072 684 W N -2.321 119.000 121.300 0.036 0.000 3.290 684 W HA 0.240 4.912 4.660 0.020 0.000 0.287 684 W C -0.365 176.218 176.519 0.107 0.000 1.288 684 W CA -0.950 56.394 57.345 -0.001 0.000 1.725 684 W CB -1.229 28.149 29.460 -0.136 0.000 1.103 684 W HN -0.208 nan 8.180 nan 0.000 0.670 685 W N 5.055 126.457 121.300 0.169 0.000 2.253 685 W HA 0.210 4.882 4.660 0.019 0.000 0.322 685 W C -1.457 175.261 176.519 0.331 0.000 1.342 685 W CA -1.788 55.732 57.345 0.292 0.000 1.218 685 W CB 0.252 29.728 29.460 0.027 0.000 1.205 685 W HN -0.360 nan 8.180 nan 0.000 0.551 686 P HA 0.001 nan 4.420 nan 0.000 0.267 686 P C -0.693 176.825 177.300 0.364 0.000 1.209 686 P CA 0.180 63.520 63.100 0.400 0.000 0.763 686 P CB 0.632 32.485 31.700 0.254 0.000 0.816 687 K N 2.974 123.495 120.400 0.201 0.000 2.297 687 K HA 0.242 4.573 4.320 0.020 0.000 0.286 687 K C 0.322 176.910 176.600 -0.021 0.000 1.053 687 K CA -0.745 55.625 56.287 0.139 0.000 0.940 687 K CB 0.533 33.091 32.500 0.096 0.000 1.019 687 K HN 0.343 nan 8.250 nan 0.000 0.475 688 M N 3.800 123.324 119.600 -0.127 0.000 3.237 688 M HA 0.008 4.499 4.480 0.020 0.000 0.266 688 M C 0.122 176.335 176.300 -0.147 0.000 1.456 688 M CA 0.474 55.615 55.300 -0.265 0.000 1.593 688 M CB -0.077 32.285 32.600 -0.398 0.000 1.129 688 M HN 0.393 nan 8.290 nan 0.000 0.547 689 Q N 0.196 119.932 119.800 -0.107 0.000 2.164 689 Q HA 0.376 4.727 4.340 0.020 0.000 0.226 689 Q C -0.717 175.231 176.000 -0.088 0.000 0.813 689 Q CA 0.374 56.131 55.803 -0.075 0.000 0.978 689 Q CB 1.080 29.801 28.738 -0.028 0.000 1.149 689 Q HN 0.528 nan 8.270 nan 0.000 0.489 690 T N -0.251 114.236 114.554 -0.112 0.000 2.916 690 T HA 0.536 4.898 4.350 0.020 0.000 0.305 690 T C -0.382 174.222 174.700 -0.160 0.000 1.119 690 T CA -0.818 61.224 62.100 -0.098 0.000 1.008 690 T CB 2.082 70.929 68.868 -0.036 0.000 1.129 690 T HN -0.037 nan 8.240 nan 0.000 0.480 691 R N 0.877 121.262 120.500 -0.191 0.000 2.726 691 R HA 0.353 4.705 4.340 0.020 0.000 0.272 691 R C 0.728 177.008 176.300 -0.033 0.000 1.097 691 R CA -0.215 55.727 56.100 -0.264 0.000 1.198 691 R CB 0.105 30.078 30.300 -0.545 0.000 1.114 691 R HN 0.847 nan 8.270 nan 0.000 0.550 692 E N -0.102 120.157 120.200 0.097 0.000 4.924 692 E HA -0.296 4.066 4.350 0.020 0.000 0.229 692 E C 0.914 177.564 176.600 0.084 0.000 0.912 692 E CA 2.363 58.872 56.400 0.181 0.000 1.857 692 E CB -0.977 28.849 29.700 0.211 0.000 1.787 692 E HN 0.768 nan 8.360 nan 0.000 0.427 693 E N -0.590 119.617 120.200 0.012 0.000 2.051 693 E HA -0.062 4.300 4.350 0.020 0.000 0.189 693 E C 2.052 178.606 176.600 -0.078 0.000 0.979 693 E CA 1.143 57.531 56.400 -0.020 0.000 0.803 693 E CB -0.133 29.529 29.700 -0.063 0.000 0.761 693 E HN 0.260 nan 8.360 nan 0.000 0.451 694 L N 0.680 121.819 121.223 -0.139 0.000 2.141 694 L HA -0.124 4.227 4.340 0.020 0.000 0.209 694 L C 2.058 178.903 176.870 -0.043 0.000 1.094 694 L CA 1.136 55.884 54.840 -0.154 0.000 0.763 694 L CB -0.103 41.825 42.059 -0.218 0.000 0.908 694 L HN -0.060 nan 8.230 nan 0.000 0.437 695 V N -0.539 119.386 119.914 0.018 0.000 2.295 695 V HA -0.253 3.879 4.120 0.020 0.000 0.246 695 V C 2.626 178.747 176.094 0.045 0.000 1.049 695 V CA 1.798 64.137 62.300 0.064 0.000 1.024 695 V CB -0.576 31.355 31.823 0.180 0.000 0.648 695 V HN 0.406 nan 8.190 nan 0.000 0.447 696 E N 0.382 120.626 120.200 0.073 0.000 2.051 696 E HA -0.160 4.202 4.350 0.020 0.000 0.192 696 E C 2.247 178.936 176.600 0.148 0.000 0.991 696 E CA 1.633 58.099 56.400 0.111 0.000 0.799 696 E CB -0.654 29.119 29.700 0.122 0.000 0.748 696 E HN 0.532 nan 8.360 nan 0.000 0.449 697 A N -0.259 122.659 122.820 0.163 0.000 1.877 697 A HA -0.223 4.109 4.320 0.020 0.000 0.216 697 A C 2.553 180.299 177.584 0.271 0.000 1.186 697 A CA 1.620 53.865 52.037 0.348 0.000 0.620 697 A CB -1.023 18.042 19.000 0.108 0.000 0.822 697 A HN 0.451 nan 8.150 nan 0.000 0.443 698 C N -1.143 118.225 119.300 0.114 0.000 2.440 698 C HA 0.107 4.579 4.460 0.020 0.000 0.278 698 C C 3.301 178.297 174.990 0.011 0.000 1.295 698 C CA 0.717 59.767 59.018 0.055 0.000 1.738 698 C CB -1.259 26.477 27.740 -0.007 0.000 1.987 698 C HN 0.694 nan 8.230 nan 0.000 0.492 699 A N 0.136 122.947 122.820 -0.014 0.000 1.929 699 A HA -0.049 4.283 4.320 0.020 0.000 0.216 699 A C 1.951 179.585 177.584 0.083 0.000 1.176 699 A CA 1.317 53.278 52.037 -0.127 0.000 0.628 699 A CB -0.473 18.308 19.000 -0.364 0.000 0.816 699 A HN 0.578 nan 8.150 nan 0.000 0.444 700 I N -0.202 120.502 120.570 0.223 0.000 2.202 700 I HA -0.228 3.953 4.170 0.020 0.000 0.242 700 I C 2.232 178.504 176.117 0.259 0.000 1.091 700 I CA 1.177 62.648 61.300 0.284 0.000 1.368 700 I CB -0.271 37.651 38.000 -0.129 0.000 1.058 700 I HN 0.294 nan 8.210 nan 0.000 0.410 701 I N 0.408 121.085 120.570 0.179 0.000 2.179 701 I HA -0.293 3.889 4.170 0.020 0.000 0.242 701 I C 2.342 178.490 176.117 0.053 0.000 1.088 701 I CA 1.195 62.539 61.300 0.073 0.000 1.357 701 I CB -0.426 37.545 38.000 -0.049 0.000 1.051 701 I HN 0.150 nan 8.210 nan 0.000 0.409 702 I N 0.286 120.839 120.570 -0.028 0.000 2.179 702 I HA -0.323 3.859 4.170 0.020 0.000 0.242 702 I C 2.349 178.476 176.117 0.016 0.000 1.088 702 I CA 1.545 62.715 61.300 -0.216 0.000 1.357 702 I CB -1.647 36.168 38.000 -0.308 0.000 1.051 702 I HN 0.569 nan 8.210 nan 0.000 0.409 703 W N 2.357 123.690 121.300 0.055 0.000 2.333 703 W HA -0.285 4.388 4.660 0.021 0.000 0.316 703 W C 2.349 178.972 176.519 0.174 0.000 1.215 703 W CA 2.459 59.917 57.345 0.187 0.000 1.278 703 W CB -0.453 29.258 29.460 0.419 0.000 1.154 703 W HN 0.134 nan 8.180 nan 0.000 0.486 704 T N 1.655 116.277 114.554 0.113 0.000 2.595 704 T HA -0.193 4.168 4.350 0.020 0.000 0.264 704 T C 2.021 176.726 174.700 0.009 0.000 1.058 704 T CA 2.522 64.654 62.100 0.055 0.000 1.166 704 T CB -1.078 67.917 68.868 0.213 0.000 0.863 704 T HN 0.229 nan 8.240 nan 0.000 0.415 705 A N 1.125 123.968 122.820 0.039 0.000 2.186 705 A HA -0.061 4.271 4.320 0.020 0.000 0.219 705 A C 2.308 179.909 177.584 0.028 0.000 1.159 705 A CA 2.050 54.104 52.037 0.028 0.000 0.680 705 A CB -0.537 18.513 19.000 0.084 0.000 0.787 705 A HN 0.635 nan 8.150 nan 0.000 0.467 706 S N -2.383 113.316 115.700 -0.001 0.000 3.526 706 S HA 0.473 4.955 4.470 0.020 0.000 0.222 706 S C 1.999 176.585 174.600 -0.023 0.000 1.001 706 S CA 0.684 58.912 58.200 0.046 0.000 0.831 706 S CB -0.568 62.689 63.200 0.094 0.000 0.941 706 S HN 0.802 nan 8.310 nan 0.000 0.585 707 A N 0.963 123.649 122.820 -0.224 0.000 2.067 707 A HA 0.373 4.705 4.320 0.020 0.000 0.217 707 A C 2.098 179.366 177.584 -0.526 0.000 1.156 707 A CA 0.971 52.770 52.037 -0.396 0.000 0.683 707 A CB -0.634 17.996 19.000 -0.617 0.000 0.808 707 A HN 0.458 nan 8.150 nan 0.000 0.455 708 L N -0.899 119.939 121.223 -0.641 0.000 2.049 708 L HA -0.050 4.302 4.340 0.020 0.000 0.203 708 L C 2.339 179.205 176.870 -0.007 0.000 1.074 708 L CA 2.353 57.005 54.840 -0.313 0.000 0.749 708 L CB -0.909 41.016 42.059 -0.223 0.000 0.907 708 L HN 0.622 nan 8.230 nan 0.000 0.439 709 H N -0.156 118.892 119.070 -0.037 0.000 2.352 709 H HA -0.134 4.433 4.556 0.019 0.000 0.299 709 H C 1.848 177.251 175.328 0.124 0.000 1.097 709 H CA 1.700 57.788 56.048 0.068 0.000 1.311 709 H CB 0.199 29.988 29.762 0.044 0.000 1.377 709 H HN 0.423 nan 8.280 nan 0.000 0.504 710 A N 1.284 124.257 122.820 0.255 0.000 1.908 710 A HA -0.129 4.203 4.320 0.020 0.000 0.218 710 A C 2.764 180.509 177.584 0.270 0.000 1.181 710 A CA 2.078 54.360 52.037 0.409 0.000 0.627 710 A CB -1.149 18.036 19.000 0.308 0.000 0.818 710 A HN 0.596 nan 8.150 nan 0.000 0.445 711 A N -1.051 121.869 122.820 0.166 0.000 1.902 711 A HA 0.014 4.346 4.320 0.020 0.000 0.217 711 A C 2.202 179.897 177.584 0.184 0.000 1.181 711 A CA 1.856 54.028 52.037 0.224 0.000 0.623 711 A CB -0.711 18.519 19.000 0.382 0.000 0.818 711 A HN 0.424 nan 8.150 nan 0.000 0.443 712 V N -0.177 119.801 119.914 0.106 0.000 2.878 712 V HA -0.088 4.043 4.120 0.020 0.000 0.250 712 V C 2.097 178.205 176.094 0.024 0.000 1.075 712 V CA 2.016 64.391 62.300 0.124 0.000 1.096 712 V CB -0.475 31.398 31.823 0.082 0.000 0.724 712 V HN 0.778 nan 8.190 nan 0.000 0.467 713 N N -0.876 117.673 118.700 -0.251 0.000 2.482 713 N HA 0.046 4.798 4.740 0.020 0.000 0.179 713 N C 1.327 176.534 175.510 -0.505 0.000 1.039 713 N CA 0.502 53.214 53.050 -0.563 0.000 0.884 713 N CB 0.032 37.895 38.487 -1.040 0.000 1.113 713 N HN 0.295 nan 8.380 nan 0.000 0.440 714 F N -0.123 119.807 119.950 -0.033 0.000 2.748 714 F HA 0.333 4.870 4.527 0.018 0.000 0.299 714 F C 2.083 177.968 175.800 0.142 0.000 1.154 714 F CA 0.510 58.523 58.000 0.021 0.000 1.446 714 F CB 0.060 39.072 39.000 0.019 0.000 1.112 714 F HN 0.129 nan 8.300 nan 0.000 0.584 715 G N -1.391 107.598 108.800 0.314 0.000 3.088 715 G HA2 -0.027 3.945 3.960 0.020 0.000 0.217 715 G HA3 -0.027 3.945 3.960 0.020 0.000 0.217 715 G C 1.374 176.460 174.900 0.310 0.000 1.159 715 G CA -0.088 45.296 45.100 0.474 0.000 0.760 715 G HN 0.231 nan 8.290 nan 0.000 0.550 716 Q N -0.490 119.389 119.800 0.131 0.000 2.029 716 Q HA -0.259 4.093 4.340 0.020 0.000 0.209 716 Q C 2.002 178.043 176.000 0.069 0.000 0.999 716 Q CA 1.922 57.755 55.803 0.049 0.000 0.857 716 Q CB -0.259 28.469 28.738 -0.018 0.000 0.926 716 Q HN 0.606 nan 8.270 nan 0.000 0.415 717 Y N 0.383 120.687 120.300 0.006 0.000 2.153 717 Y HA -0.095 4.470 4.550 0.023 0.000 0.289 717 Y C -0.935 174.925 175.900 -0.067 0.000 1.119 717 Y CA 1.285 59.370 58.100 -0.024 0.000 1.116 717 Y CB -0.933 37.522 38.460 -0.009 0.000 1.004 717 Y HN 0.051 nan 8.280 nan 0.000 0.501 718 P HA -0.285 nan 4.420 nan 0.000 0.222 718 P C 0.634 177.699 177.300 -0.391 0.000 1.157 718 P CA 2.471 65.419 63.100 -0.253 0.000 0.905 718 P CB -0.178 31.282 31.700 -0.399 0.000 0.792 719 Y N -2.234 117.973 120.300 -0.155 0.000 2.265 719 Y HA 0.268 4.830 4.550 0.020 0.000 0.290 719 Y C 2.686 178.435 175.900 -0.252 0.000 1.137 719 Y CA 1.232 59.230 58.100 -0.170 0.000 1.147 719 Y CB -1.274 37.133 38.460 -0.088 0.000 1.104 719 Y HN -0.166 nan 8.280 nan 0.000 0.514 720 G N -0.467 108.303 108.800 -0.049 0.000 2.776 720 G HA2 -0.021 3.950 3.960 0.020 0.000 0.209 720 G HA3 -0.021 3.950 3.960 0.020 0.000 0.209 720 G C 1.700 176.377 174.900 -0.372 0.000 1.145 720 G CA 0.735 45.724 45.100 -0.185 0.000 0.791 720 G HN 0.512 nan 8.290 nan 0.000 0.530 721 G N -0.305 108.138 108.800 -0.595 0.000 2.650 721 G HA2 0.088 4.060 3.960 0.020 0.000 0.214 721 G HA3 0.088 4.060 3.960 0.020 0.000 0.214 721 G C 0.598 175.140 174.900 -0.597 0.000 1.136 721 G CA -0.226 44.276 45.100 -0.996 0.000 0.789 721 G HN 0.387 nan 8.290 nan 0.000 0.536 722 L N 1.729 122.667 121.223 -0.475 0.000 2.287 722 L HA 0.360 4.712 4.340 0.020 0.000 0.280 722 L C 1.255 177.830 176.870 -0.492 0.000 1.055 722 L CA -0.585 53.974 54.840 -0.468 0.000 0.863 722 L CB 1.254 42.992 42.059 -0.535 0.000 1.245 722 L HN 0.052 nan 8.230 nan 0.000 0.432 723 I N 3.414 123.724 120.570 -0.433 0.000 2.530 723 I HA -0.272 3.910 4.170 0.020 0.000 0.257 723 I C 1.748 177.624 176.117 -0.402 0.000 1.179 723 I CA 1.316 62.397 61.300 -0.364 0.000 1.440 723 I CB 0.169 38.002 38.000 -0.278 0.000 1.087 723 I HN 0.598 nan 8.210 nan 0.000 0.440 724 L N 0.559 121.448 121.223 -0.557 0.000 2.012 724 L HA -0.267 4.085 4.340 0.020 0.000 0.210 724 L C 2.312 178.683 176.870 -0.831 0.000 1.073 724 L CA 2.023 56.458 54.840 -0.676 0.000 0.748 724 L CB -1.430 39.955 42.059 -1.123 0.000 0.891 724 L HN 0.474 nan 8.230 nan 0.000 0.431 725 N N -0.537 117.589 118.700 -0.956 0.000 2.250 725 N HA -0.092 4.660 4.740 0.020 0.000 0.181 725 N C 0.187 175.544 175.510 -0.256 0.000 1.017 725 N CA 0.508 53.189 53.050 -0.614 0.000 0.866 725 N CB 0.338 38.509 38.487 -0.527 0.000 0.985 725 N HN 0.112 nan 8.380 nan 0.000 0.429 726 R N 1.384 121.729 120.500 -0.259 0.000 2.443 726 R HA 0.413 4.765 4.340 0.020 0.000 0.287 726 R C -2.615 173.568 176.300 -0.195 0.000 1.425 726 R CA -1.734 54.264 56.100 -0.170 0.000 1.300 726 R CB 1.459 31.672 30.300 -0.145 0.000 1.129 726 R HN 0.241 nan 8.270 nan 0.000 0.577 727 P HA 0.124 nan 4.420 nan 0.000 0.272 727 P C 0.783 177.968 177.300 -0.192 0.000 1.230 727 P CA -0.021 62.949 63.100 -0.217 0.000 0.788 727 P CB 0.804 32.357 31.700 -0.244 0.000 0.949 728 T N -1.814 112.592 114.554 -0.247 0.000 3.003 728 T HA 0.387 4.749 4.350 0.020 0.000 0.261 728 T C 0.136 174.700 174.700 -0.228 0.000 1.003 728 T CA -0.027 61.899 62.100 -0.289 0.000 0.917 728 T CB -0.230 68.260 68.868 -0.630 0.000 1.084 728 T HN 0.242 nan 8.240 nan 0.000 0.522 729 L N 1.150 122.260 121.223 -0.187 0.000 2.482 729 L HA 0.657 5.008 4.340 0.020 0.000 0.263 729 L C -1.535 175.273 176.870 -0.104 0.000 0.957 729 L CA -0.522 54.239 54.840 -0.132 0.000 0.836 729 L CB 2.399 44.351 42.059 -0.177 0.000 1.324 729 L HN 0.036 nan 8.230 nan 0.000 0.406 730 S N 2.952 118.631 115.700 -0.036 0.000 2.472 730 S HA 0.537 5.019 4.470 0.020 0.000 0.303 730 S C 0.355 174.931 174.600 -0.039 0.000 1.099 730 S CA -0.741 57.456 58.200 -0.005 0.000 1.077 730 S CB 2.171 65.480 63.200 0.181 0.000 1.031 730 S HN 0.676 nan 8.310 nan 0.000 0.487 731 R N 0.665 121.128 120.500 -0.061 0.000 2.316 731 R HA 0.270 4.622 4.340 0.020 0.000 0.201 731 R C 0.177 176.404 176.300 -0.121 0.000 0.888 731 R CA 0.225 56.269 56.100 -0.093 0.000 1.041 731 R CB 0.513 30.763 30.300 -0.082 0.000 1.115 731 R HN 0.447 nan 8.270 nan 0.000 0.559 732 R N -0.034 120.434 120.500 -0.053 0.000 2.795 732 R HA 0.338 4.690 4.340 0.020 0.000 0.275 732 R C -1.061 175.306 176.300 0.113 0.000 0.981 732 R CA -0.752 55.322 56.100 -0.043 0.000 0.917 732 R CB 1.388 31.715 30.300 0.045 0.000 1.202 732 R HN -0.189 nan 8.270 nan 0.000 0.469 733 F N 0.723 120.781 119.950 0.180 0.000 2.362 733 F HA 0.326 4.865 4.527 0.020 0.000 0.311 733 F C 1.095 177.099 175.800 0.341 0.000 1.161 733 F CA -0.985 57.172 58.000 0.262 0.000 1.085 733 F CB 0.333 39.373 39.000 0.068 0.000 1.311 733 F HN 0.260 nan 8.300 nan 0.000 0.524 734 M N 3.007 122.936 119.600 0.548 0.000 2.338 734 M HA 0.120 4.612 4.480 0.020 0.000 0.360 734 M C -2.208 174.252 176.300 0.267 0.000 1.547 734 M CA -1.621 53.841 55.300 0.271 0.000 1.001 734 M CB -0.568 32.031 32.600 -0.002 0.000 2.008 734 M HN 0.148 nan 8.290 nan 0.000 0.464 735 P HA -0.138 nan 4.420 nan 0.000 0.260 735 P C -0.702 176.809 177.300 0.351 0.000 1.147 735 P CA 0.626 63.869 63.100 0.239 0.000 0.758 735 P CB 0.266 32.040 31.700 0.123 0.000 0.744 736 E N 3.349 123.739 120.200 0.317 0.000 2.319 736 E HA 0.059 4.420 4.350 0.020 0.000 0.268 736 E C 1.187 177.899 176.600 0.187 0.000 1.050 736 E CA -0.463 56.090 56.400 0.254 0.000 0.878 736 E CB 0.748 30.547 29.700 0.165 0.000 1.066 736 E HN 0.316 nan 8.360 nan 0.000 0.406 737 K N 1.221 121.626 120.400 0.008 0.000 2.182 737 K HA -0.311 4.021 4.320 0.020 0.000 0.198 737 K C 1.201 177.395 176.600 -0.677 0.000 0.729 737 K CA 2.371 58.487 56.287 -0.284 0.000 1.092 737 K CB -0.608 31.823 32.500 -0.115 0.000 0.917 737 K HN 0.670 nan 8.250 nan 0.000 0.665 738 G N -0.461 108.149 108.800 -0.317 0.000 3.651 738 G HA2 0.176 4.147 3.960 0.020 0.000 0.267 738 G HA3 0.176 4.147 3.960 0.020 0.000 0.267 738 G C -0.298 174.588 174.900 -0.023 0.000 1.009 738 G CA -0.144 44.813 45.100 -0.237 0.000 0.866 738 G HN 0.265 nan 8.290 nan 0.000 0.488 739 S N 0.418 116.139 115.700 0.035 0.000 2.580 739 S HA 0.388 4.870 4.470 0.020 0.000 0.266 739 S C 1.765 176.447 174.600 0.136 0.000 1.354 739 S CA 0.129 58.383 58.200 0.090 0.000 1.008 739 S CB 1.565 64.828 63.200 0.105 0.000 0.898 739 S HN 0.484 nan 8.310 nan 0.000 0.555 740 A N 0.796 123.680 122.820 0.105 0.000 2.178 740 A HA -0.104 4.227 4.320 0.020 0.000 0.218 740 A C 1.876 179.527 177.584 0.112 0.000 1.157 740 A CA 0.936 53.033 52.037 0.100 0.000 0.689 740 A CB -0.430 18.613 19.000 0.071 0.000 0.787 740 A HN 0.761 nan 8.150 nan 0.000 0.465 741 E N -1.394 118.888 120.200 0.137 0.000 2.122 741 E HA -0.125 4.237 4.350 0.020 0.000 0.190 741 E C 1.700 178.385 176.600 0.141 0.000 0.977 741 E CA 1.012 57.487 56.400 0.126 0.000 0.820 741 E CB -0.700 29.083 29.700 0.137 0.000 0.770 741 E HN 0.753 nan 8.360 nan 0.000 0.462 742 Y N 2.001 122.342 120.300 0.068 0.000 2.242 742 Y HA -0.153 4.409 4.550 0.020 0.000 0.291 742 Y C 2.280 178.212 175.900 0.053 0.000 1.137 742 Y CA 1.743 59.884 58.100 0.067 0.000 1.181 742 Y CB 0.191 38.693 38.460 0.070 0.000 0.989 742 Y HN -0.040 nan 8.280 nan 0.000 0.527 743 E N 0.276 120.632 120.200 0.259 0.000 2.208 743 E HA -0.153 4.208 4.350 0.020 0.000 0.193 743 E C 2.063 178.710 176.600 0.078 0.000 0.988 743 E CA 1.069 57.567 56.400 0.163 0.000 0.828 743 E CB -0.121 29.658 29.700 0.132 0.000 0.763 743 E HN 0.602 nan 8.360 nan 0.000 0.478 744 E N -0.194 120.043 120.200 0.063 0.000 2.047 744 E HA -0.151 4.210 4.350 0.020 0.000 0.191 744 E C 2.012 178.611 176.600 -0.000 0.000 0.987 744 E CA 0.678 57.098 56.400 0.033 0.000 0.799 744 E CB -0.068 29.655 29.700 0.038 0.000 0.752 744 E HN 0.249 nan 8.360 nan 0.000 0.449 745 L N 0.691 121.894 121.223 -0.033 0.000 1.978 745 L HA -0.297 4.055 4.340 0.020 0.000 0.218 745 L C 2.851 179.675 176.870 -0.076 0.000 1.075 745 L CA 1.592 56.381 54.840 -0.085 0.000 0.767 745 L CB -0.471 41.463 42.059 -0.208 0.000 0.890 745 L HN 0.189 nan 8.230 nan 0.000 0.434 746 R N 0.001 120.458 120.500 -0.071 0.000 2.117 746 R HA -0.200 4.152 4.340 0.020 0.000 0.243 746 R C 1.924 178.218 176.300 -0.010 0.000 1.143 746 R CA 1.528 57.614 56.100 -0.024 0.000 0.968 746 R CB -0.231 30.094 30.300 0.043 0.000 0.863 746 R HN 0.447 nan 8.270 nan 0.000 0.444 747 K N -0.898 119.500 120.400 -0.002 0.000 2.358 747 K HA 0.064 4.395 4.320 0.020 0.000 0.200 747 K C 0.185 176.775 176.600 -0.017 0.000 1.030 747 K CA -0.031 56.254 56.287 -0.002 0.000 1.097 747 K CB 0.475 32.984 32.500 0.014 0.000 0.862 747 K HN -0.055 nan 8.250 nan 0.000 0.534 748 N N 0.036 118.719 118.700 -0.028 0.000 3.211 748 N HA 0.090 4.842 4.740 0.020 0.000 0.183 748 N C -2.737 172.741 175.510 -0.053 0.000 1.447 748 N CA -1.010 52.015 53.050 -0.041 0.000 0.840 748 N CB 0.806 39.281 38.487 -0.020 0.000 1.611 748 N HN -0.237 nan 8.380 nan 0.000 0.610 749 P HA -0.168 nan 4.420 nan 0.000 0.214 749 P C 1.246 178.500 177.300 -0.077 0.000 1.163 749 P CA 1.495 64.546 63.100 -0.081 0.000 0.889 749 P CB 0.432 32.061 31.700 -0.117 0.000 0.790 750 Q N -0.316 119.345 119.800 -0.231 0.000 2.077 750 Q HA -0.246 4.106 4.340 0.020 0.000 0.206 750 Q C 2.255 178.261 176.000 0.011 0.000 0.989 750 Q CA 1.660 57.269 55.803 -0.324 0.000 0.853 750 Q CB -0.562 27.826 28.738 -0.582 0.000 0.907 750 Q HN 0.103 nan 8.270 nan 0.000 0.418 751 K N 0.917 121.322 120.400 0.008 0.000 2.147 751 K HA -0.107 4.225 4.320 0.020 0.000 0.205 751 K C 1.783 178.435 176.600 0.087 0.000 1.049 751 K CA 1.332 57.660 56.287 0.067 0.000 0.936 751 K CB -0.409 32.114 32.500 0.038 0.000 0.722 751 K HN 0.215 nan 8.250 nan 0.000 0.446 752 A N -0.351 122.513 122.820 0.073 0.000 1.873 752 A HA -0.155 4.177 4.320 0.020 0.000 0.215 752 A C 2.170 179.820 177.584 0.110 0.000 1.186 752 A CA 1.540 53.620 52.037 0.072 0.000 0.616 752 A CB -1.092 17.936 19.000 0.047 0.000 0.823 752 A HN 0.476 nan 8.150 nan 0.000 0.442 753 Y N 0.424 120.753 120.300 0.048 0.000 2.053 753 Y HA -0.245 4.316 4.550 0.019 0.000 0.277 753 Y C 2.090 178.049 175.900 0.099 0.000 1.159 753 Y CA 1.916 60.076 58.100 0.100 0.000 1.125 753 Y CB -0.283 38.351 38.460 0.289 0.000 0.969 753 Y HN 0.187 nan 8.280 nan 0.000 0.492 754 L N 1.040 122.429 121.223 0.275 0.000 2.079 754 L HA -0.230 4.121 4.340 0.020 0.000 0.210 754 L C 2.118 179.011 176.870 0.038 0.000 1.081 754 L CA 2.367 57.314 54.840 0.177 0.000 0.752 754 L CB -1.453 40.768 42.059 0.270 0.000 0.896 754 L HN 0.489 nan 8.230 nan 0.000 0.433 755 K N -2.313 118.101 120.400 0.024 0.000 2.404 755 K HA 0.073 4.404 4.320 0.020 0.000 0.194 755 K C 1.251 177.815 176.600 -0.061 0.000 1.023 755 K CA 0.419 56.699 56.287 -0.012 0.000 1.094 755 K CB -0.094 32.414 32.500 0.013 0.000 0.841 755 K HN 0.062 nan 8.250 nan 0.000 0.523 756 T N 1.533 116.011 114.554 -0.126 0.000 3.035 756 T HA 0.113 4.474 4.350 0.020 0.000 0.259 756 T C 1.249 175.806 174.700 -0.238 0.000 1.078 756 T CA 0.394 62.388 62.100 -0.177 0.000 1.132 756 T CB -0.234 68.480 68.868 -0.258 0.000 0.900 756 T HN 0.409 nan 8.240 nan 0.000 0.480 757 I N -0.506 119.884 120.570 -0.301 0.000 4.011 757 I HA 0.455 4.637 4.170 0.020 0.000 0.258 757 I C -0.186 175.816 176.117 -0.192 0.000 1.393 757 I CA -1.137 59.985 61.300 -0.297 0.000 1.045 757 I CB -0.036 37.697 38.000 -0.445 0.000 1.523 757 I HN -0.287 nan 8.210 nan 0.000 0.613 758 T N 3.368 117.809 114.554 -0.189 0.000 2.831 758 T HA 0.140 4.502 4.350 0.020 0.000 0.291 758 T C -2.177 172.453 174.700 -0.116 0.000 0.981 758 T CA -0.471 61.527 62.100 -0.170 0.000 1.174 758 T CB -0.792 67.948 68.868 -0.213 0.000 0.929 758 T HN 0.483 nan 8.240 nan 0.000 0.532 759 P HA 0.033 nan 4.420 nan 0.000 0.269 759 P C 0.836 178.030 177.300 -0.178 0.000 1.217 759 P CA -0.393 62.633 63.100 -0.123 0.000 0.783 759 P CB 0.986 32.617 31.700 -0.113 0.000 0.898 760 K N 1.109 121.336 120.400 -0.288 0.000 2.152 760 K HA -0.188 4.143 4.320 0.020 0.000 0.206 760 K C 1.782 178.153 176.600 -0.380 0.000 1.048 760 K CA 1.293 57.303 56.287 -0.462 0.000 0.933 760 K CB -0.467 31.576 32.500 -0.762 0.000 0.721 760 K HN 0.318 nan 8.250 nan 0.000 0.447 761 F N 1.891 121.411 119.950 -0.717 0.000 2.186 761 F HA -0.097 4.440 4.527 0.017 0.000 0.299 761 F C 1.895 177.427 175.800 -0.447 0.000 1.090 761 F CA 1.419 58.868 58.000 -0.918 0.000 1.307 761 F CB -0.137 38.229 39.000 -1.056 0.000 1.019 761 F HN 0.079 nan 8.300 nan 0.000 0.489 762 Q N -0.447 119.073 119.800 -0.468 0.000 2.187 762 Q HA -0.071 4.281 4.340 0.020 0.000 0.199 762 Q C 2.178 177.962 176.000 -0.361 0.000 0.957 762 Q CA 1.941 57.464 55.803 -0.467 0.000 0.857 762 Q CB -0.719 27.817 28.738 -0.336 0.000 0.929 762 Q HN 0.279 nan 8.270 nan 0.000 0.453 763 T N 0.803 115.205 114.554 -0.253 0.000 2.720 763 T HA -0.140 4.222 4.350 0.020 0.000 0.268 763 T C 1.632 176.215 174.700 -0.194 0.000 1.037 763 T CA 1.070 63.067 62.100 -0.171 0.000 1.144 763 T CB -0.226 68.661 68.868 0.032 0.000 0.864 763 T HN 0.167 nan 8.240 nan 0.000 0.444 764 L N -0.120 120.997 121.223 -0.177 0.000 2.109 764 L HA 0.047 4.399 4.340 0.020 0.000 0.207 764 L C 2.342 179.150 176.870 -0.104 0.000 1.086 764 L CA 0.942 55.729 54.840 -0.088 0.000 0.760 764 L CB -0.427 41.667 42.059 0.059 0.000 0.910 764 L HN 0.259 nan 8.230 nan 0.000 0.437 765 I N -0.255 120.135 120.570 -0.300 0.000 2.252 765 I HA -0.280 3.901 4.170 0.020 0.000 0.245 765 I C 2.197 178.240 176.117 -0.123 0.000 1.102 765 I CA 1.360 62.512 61.300 -0.246 0.000 1.385 765 I CB -0.232 37.494 38.000 -0.457 0.000 1.064 765 I HN 0.262 nan 8.210 nan 0.000 0.414 766 D N 0.789 121.078 120.400 -0.185 0.000 2.097 766 D HA -0.176 4.475 4.640 0.020 0.000 0.195 766 D C 1.991 178.255 176.300 -0.059 0.000 0.989 766 D CA 1.413 55.331 54.000 -0.137 0.000 0.827 766 D CB 0.097 40.758 40.800 -0.232 0.000 0.966 766 D HN 0.008 nan 8.370 nan 0.000 0.456 767 L N 0.346 121.497 121.223 -0.121 0.000 2.141 767 L HA -0.016 4.336 4.340 0.020 0.000 0.209 767 L C 2.506 179.541 176.870 0.275 0.000 1.094 767 L CA 1.060 55.867 54.840 -0.055 0.000 0.763 767 L CB -1.039 40.673 42.059 -0.577 0.000 0.908 767 L HN 0.007 nan 8.230 nan 0.000 0.437 768 S N -0.839 115.083 115.700 0.370 0.000 2.348 768 S HA -0.132 4.350 4.470 0.020 0.000 0.221 768 S C 2.123 176.867 174.600 0.241 0.000 1.033 768 S CA 1.301 59.793 58.200 0.486 0.000 1.010 768 S CB -0.387 63.127 63.200 0.523 0.000 0.891 768 S HN 0.217 nan 8.310 nan 0.000 0.442 769 V N 3.113 123.120 119.914 0.156 0.000 2.358 769 V HA -0.121 4.011 4.120 0.020 0.000 0.246 769 V C 2.144 178.301 176.094 0.105 0.000 1.047 769 V CA 1.676 64.039 62.300 0.105 0.000 1.035 769 V CB -0.803 31.064 31.823 0.073 0.000 0.658 769 V HN 0.636 nan 8.190 nan 0.000 0.452 770 I N -2.293 118.355 120.570 0.130 0.000 2.928 770 I HA -0.048 4.134 4.170 0.020 0.000 0.266 770 I C 2.164 178.400 176.117 0.198 0.000 1.234 770 I CA 1.375 62.757 61.300 0.137 0.000 1.483 770 I CB -0.459 37.616 38.000 0.125 0.000 1.097 770 I HN 0.288 nan 8.210 nan 0.000 0.455 771 E N 1.900 122.234 120.200 0.224 0.000 2.072 771 E HA -0.139 4.223 4.350 0.020 0.000 0.190 771 E C 2.286 178.863 176.600 -0.039 0.000 0.982 771 E CA 1.246 57.651 56.400 0.009 0.000 0.803 771 E CB 0.048 29.682 29.700 -0.111 0.000 0.755 771 E HN 0.609 nan 8.360 nan 0.000 0.453 772 I N 0.617 121.184 120.570 -0.005 0.000 2.113 772 I HA -0.284 3.898 4.170 0.020 0.000 0.238 772 I C 2.279 178.398 176.117 0.002 0.000 1.070 772 I CA 0.619 61.910 61.300 -0.015 0.000 1.332 772 I CB -0.227 37.775 38.000 0.003 0.000 1.044 772 I HN 0.178 nan 8.210 nan 0.000 0.402 773 L N 0.528 121.756 121.223 0.008 0.000 2.137 773 L HA -0.228 4.123 4.340 0.020 0.000 0.213 773 L C 2.259 179.030 176.870 -0.165 0.000 1.085 773 L CA 1.716 56.529 54.840 -0.045 0.000 0.760 773 L CB -0.863 41.174 42.059 -0.036 0.000 0.893 773 L HN 0.142 nan 8.230 nan 0.000 0.434 774 S N -1.391 114.261 115.700 -0.080 0.000 2.671 774 S HA 0.128 4.610 4.470 0.020 0.000 0.220 774 S C 0.778 175.463 174.600 0.141 0.000 0.951 774 S CA -0.116 58.069 58.200 -0.024 0.000 0.932 774 S CB -0.248 63.012 63.200 0.100 0.000 0.777 774 S HN 0.260 nan 8.310 nan 0.000 0.508 775 R N 2.088 122.638 120.500 0.084 0.000 2.265 775 R HA 0.223 4.575 4.340 0.020 0.000 0.319 775 R C -0.713 175.618 176.300 0.051 0.000 1.006 775 R CA -0.482 55.651 56.100 0.055 0.000 0.880 775 R CB 0.437 30.744 30.300 0.012 0.000 1.077 775 R HN 0.326 nan 8.270 nan 0.000 0.454 776 H N 2.082 121.252 119.070 0.166 0.000 2.944 776 H HA 0.093 4.661 4.556 0.019 0.000 0.278 776 H C 0.195 175.538 175.328 0.025 0.000 1.083 776 H CA -0.239 55.852 56.048 0.073 0.000 1.479 776 H CB 0.870 30.659 29.762 0.044 0.000 1.486 776 H HN 0.649 nan 8.280 nan 0.000 0.493 777 A N 3.153 126.015 122.820 0.071 0.000 2.531 777 A HA 0.022 4.354 4.320 0.020 0.000 0.236 777 A C 1.404 178.988 177.584 -0.001 0.000 1.062 777 A CA 0.043 52.065 52.037 -0.025 0.000 0.760 777 A CB 0.253 19.168 19.000 -0.141 0.000 0.995 777 A HN 0.827 nan 8.150 nan 0.000 0.501 778 S N 1.067 116.763 115.700 -0.007 0.000 2.440 778 S HA -0.156 4.326 4.470 0.020 0.000 0.240 778 S C 0.780 175.385 174.600 0.007 0.000 1.014 778 S CA 1.466 59.675 58.200 0.015 0.000 0.980 778 S CB -0.329 62.877 63.200 0.009 0.000 0.775 778 S HN 0.911 nan 8.310 nan 0.000 0.499 779 D N 0.731 121.116 120.400 -0.025 0.000 2.738 779 D HA 0.227 4.879 4.640 0.020 0.000 0.246 779 D C -0.174 176.075 176.300 -0.087 0.000 1.270 779 D CA -0.446 53.541 54.000 -0.021 0.000 0.833 779 D CB -0.276 40.540 40.800 0.027 0.000 1.040 779 D HN 0.178 nan 8.370 nan 0.000 0.487 780 E N 0.058 120.165 120.200 -0.155 0.000 2.360 780 E HA 0.202 4.564 4.350 0.020 0.000 0.269 780 E C -0.759 175.578 176.600 -0.437 0.000 1.022 780 E CA -0.442 55.734 56.400 -0.372 0.000 0.887 780 E CB 1.215 30.567 29.700 -0.581 0.000 0.990 780 E HN -0.043 nan 8.360 nan 0.000 0.426 781 V N 6.818 126.493 119.914 -0.399 0.000 2.304 781 V HA 0.177 4.309 4.120 0.020 0.000 0.269 781 V C -0.590 175.301 176.094 -0.338 0.000 1.036 781 V CA -0.467 61.679 62.300 -0.257 0.000 0.840 781 V CB -0.628 31.080 31.823 -0.192 0.000 1.036 781 V HN 0.607 nan 8.190 nan 0.000 0.466 782 Y N 2.878 123.123 120.300 -0.091 0.000 2.281 782 Y HA 0.190 4.751 4.550 0.018 0.000 0.337 782 Y C 1.123 176.984 175.900 -0.064 0.000 1.304 782 Y CA -0.412 57.631 58.100 -0.095 0.000 1.465 782 Y CB 0.500 38.871 38.460 -0.147 0.000 1.350 782 Y HN 0.449 nan 8.280 nan 0.000 0.575 783 L N 1.622 122.931 121.223 0.143 0.000 2.042 783 L HA -0.018 4.333 4.340 0.020 0.000 0.210 783 L C 1.662 178.529 176.870 -0.006 0.000 1.076 783 L CA 1.648 56.567 54.840 0.132 0.000 0.749 783 L CB -1.048 41.094 42.059 0.138 0.000 0.893 783 L HN 0.829 nan 8.230 nan 0.000 0.432 784 G N 0.808 109.563 108.800 -0.075 0.000 2.513 784 G HA2 -0.043 3.929 3.960 0.020 0.000 0.290 784 G HA3 -0.043 3.929 3.960 0.020 0.000 0.290 784 G C 0.825 175.583 174.900 -0.237 0.000 0.708 784 G CA 0.649 45.611 45.100 -0.229 0.000 2.012 784 G HN 0.621 nan 8.290 nan 0.000 0.493 785 E N 1.331 121.288 120.200 -0.405 0.000 3.343 785 E HA -0.319 4.043 4.350 0.020 0.000 0.281 785 E C 0.230 176.808 176.600 -0.037 0.000 0.914 785 E CA 1.363 57.487 56.400 -0.460 0.000 0.884 785 E CB -1.208 28.149 29.700 -0.572 0.000 1.445 785 E HN 0.668 nan 8.360 nan 0.000 0.468 786 R N 1.338 121.872 120.500 0.058 0.000 2.248 786 R HA 0.269 4.621 4.340 0.020 0.000 0.337 786 R C 0.151 176.525 176.300 0.123 0.000 1.085 786 R CA 0.156 56.314 56.100 0.097 0.000 0.934 786 R CB 0.553 30.883 30.300 0.051 0.000 1.034 786 R HN 0.171 nan 8.270 nan 0.000 0.465 787 D N 0.677 121.190 120.400 0.189 0.000 2.481 787 D HA 0.147 4.799 4.640 0.020 0.000 0.283 787 D C 0.986 177.276 176.300 -0.017 0.000 1.192 787 D CA -0.153 53.797 54.000 -0.084 0.000 1.100 787 D CB 0.753 41.328 40.800 -0.374 0.000 1.166 787 D HN 0.600 nan 8.370 nan 0.000 0.584 788 N N -2.222 116.472 118.700 -0.009 0.000 1.983 788 N HA 0.210 4.962 4.740 0.020 0.000 0.234 788 N C -2.194 173.375 175.510 0.099 0.000 1.339 788 N CA -0.364 52.718 53.050 0.054 0.000 0.826 788 N CB 0.507 39.016 38.487 0.038 0.000 1.156 788 N HN 0.204 nan 8.380 nan 0.000 0.468 789 P HA 0.414 nan 4.420 nan 0.000 0.313 789 P C -1.199 176.227 177.300 0.210 0.000 1.202 789 P CA -0.151 63.028 63.100 0.132 0.000 0.756 789 P CB 0.583 32.340 31.700 0.095 0.000 1.853 790 N N 0.713 119.463 118.700 0.083 0.000 2.800 790 N HA 0.159 4.910 4.740 0.020 0.000 0.240 790 N C 0.947 176.435 175.510 -0.037 0.000 1.096 790 N CA -0.643 52.424 53.050 0.029 0.000 0.877 790 N CB 0.139 38.544 38.487 -0.136 0.000 1.138 790 N HN 0.424 nan 8.380 nan 0.000 0.509 791 W N 1.043 122.304 121.300 -0.066 0.000 2.392 791 W HA 0.081 4.753 4.660 0.020 0.000 0.279 791 W C -0.205 176.298 176.519 -0.027 0.000 1.225 791 W CA 0.280 57.605 57.345 -0.034 0.000 1.233 791 W CB -0.615 28.826 29.460 -0.032 0.000 1.122 791 W HN 0.261 nan 8.180 nan 0.000 0.561 792 T N -0.242 113.996 114.554 -0.527 0.000 2.900 792 T HA 0.314 4.676 4.350 0.020 0.000 0.303 792 T C 0.705 175.168 174.700 -0.395 0.000 1.142 792 T CA -0.129 61.702 62.100 -0.449 0.000 1.007 792 T CB 1.805 70.290 68.868 -0.639 0.000 1.156 792 T HN -0.136 nan 8.240 nan 0.000 0.490 793 S N 1.445 116.987 115.700 -0.263 0.000 2.436 793 S HA 0.016 4.498 4.470 0.020 0.000 0.228 793 S C 0.795 175.282 174.600 -0.187 0.000 1.014 793 S CA 0.121 58.204 58.200 -0.195 0.000 0.950 793 S CB -0.095 63.010 63.200 -0.158 0.000 0.784 793 S HN 0.765 nan 8.310 nan 0.000 0.504 794 D N 2.470 122.747 120.400 -0.204 0.000 2.359 794 D HA 0.056 4.707 4.640 0.020 0.000 0.273 794 D C 0.703 176.907 176.300 -0.160 0.000 1.362 794 D CA 0.312 54.215 54.000 -0.162 0.000 1.010 794 D CB 0.576 41.309 40.800 -0.112 0.000 1.090 794 D HN 0.108 nan 8.370 nan 0.000 0.521 795 T N 4.161 118.643 114.554 -0.121 0.000 2.699 795 T HA -0.222 4.140 4.350 0.020 0.000 0.268 795 T C 1.911 176.584 174.700 -0.045 0.000 1.036 795 T CA 1.202 63.253 62.100 -0.082 0.000 1.147 795 T CB 0.082 68.910 68.868 -0.067 0.000 0.862 795 T HN 0.508 nan 8.240 nan 0.000 0.446 796 R N 1.167 121.631 120.500 -0.060 0.000 2.105 796 R HA -0.001 4.351 4.340 0.020 0.000 0.239 796 R C 2.773 179.094 176.300 0.036 0.000 1.135 796 R CA 1.342 57.420 56.100 -0.037 0.000 0.967 796 R CB -0.492 29.741 30.300 -0.112 0.000 0.861 796 R HN 0.380 nan 8.270 nan 0.000 0.442 797 A N 1.335 124.165 122.820 0.016 0.000 1.840 797 A HA -0.098 4.234 4.320 0.020 0.000 0.214 797 A C 2.035 179.802 177.584 0.305 0.000 1.198 797 A CA 0.924 53.073 52.037 0.187 0.000 0.608 797 A CB -0.399 18.667 19.000 0.110 0.000 0.839 797 A HN 0.067 nan 8.150 nan 0.000 0.443 798 L N -0.013 121.264 121.223 0.091 0.000 2.081 798 L HA -0.195 4.157 4.340 0.020 0.000 0.212 798 L C 2.360 179.396 176.870 0.278 0.000 1.080 798 L CA 2.284 57.229 54.840 0.176 0.000 0.754 798 L CB -1.475 40.583 42.059 -0.002 0.000 0.893 798 L HN 0.512 nan 8.230 nan 0.000 0.433 799 E N -0.619 119.691 120.200 0.185 0.000 2.051 799 E HA -0.143 4.219 4.350 0.020 0.000 0.192 799 E C 2.265 179.003 176.600 0.230 0.000 0.991 799 E CA 1.359 57.855 56.400 0.159 0.000 0.799 799 E CB -0.166 29.593 29.700 0.099 0.000 0.748 799 E HN 0.414 nan 8.360 nan 0.000 0.449 800 A N -0.173 122.845 122.820 0.331 0.000 1.972 800 A HA -0.152 4.180 4.320 0.020 0.000 0.219 800 A C 2.048 179.969 177.584 0.562 0.000 1.169 800 A CA 1.159 53.473 52.037 0.462 0.000 0.635 800 A CB -0.744 18.593 19.000 0.563 0.000 0.810 800 A HN 0.402 nan 8.150 nan 0.000 0.446 801 F N 0.880 121.038 119.950 0.346 0.000 2.075 801 F HA -0.107 4.431 4.527 0.019 0.000 0.297 801 F C 2.145 177.971 175.800 0.042 0.000 1.113 801 F CA 1.777 59.763 58.000 -0.022 0.000 1.218 801 F CB -0.244 38.892 39.000 0.227 0.000 0.984 801 F HN 0.024 nan 8.300 nan 0.000 0.472 802 K N 0.427 120.844 120.400 0.030 0.000 2.089 802 K HA -0.235 4.097 4.320 0.020 0.000 0.210 802 K C 2.274 178.824 176.600 -0.083 0.000 1.048 802 K CA 1.646 57.877 56.287 -0.092 0.000 0.926 802 K CB -0.662 31.848 32.500 0.017 0.000 0.714 802 K HN 0.316 nan 8.250 nan 0.000 0.448 803 R N -0.473 120.052 120.500 0.040 0.000 2.105 803 R HA -0.141 4.211 4.340 0.020 0.000 0.239 803 R C 2.259 178.599 176.300 0.067 0.000 1.135 803 R CA 1.311 57.450 56.100 0.065 0.000 0.967 803 R CB -0.329 30.057 30.300 0.144 0.000 0.861 803 R HN 0.152 nan 8.270 nan 0.000 0.442 804 F N 0.464 120.332 119.950 -0.137 0.000 2.051 804 F HA -0.056 4.483 4.527 0.020 0.000 0.296 804 F C 2.168 177.790 175.800 -0.296 0.000 1.122 804 F CA 1.802 59.673 58.000 -0.215 0.000 1.201 804 F CB -1.080 37.634 39.000 -0.477 0.000 0.978 804 F HN -0.001 nan 8.300 nan 0.000 0.472 805 G N 0.336 108.779 108.800 -0.595 0.000 2.469 805 G HA2 -0.404 3.568 3.960 0.020 0.000 0.219 805 G HA3 -0.404 3.568 3.960 0.020 0.000 0.219 805 G C 1.696 176.362 174.900 -0.390 0.000 1.150 805 G CA 1.035 45.756 45.100 -0.631 0.000 0.763 805 G HN 0.531 nan 8.290 nan 0.000 0.561 806 N N 0.375 118.925 118.700 -0.250 0.000 2.270 806 N HA -0.071 4.681 4.740 0.020 0.000 0.181 806 N C 2.136 177.560 175.510 -0.143 0.000 1.016 806 N CA 1.231 54.184 53.050 -0.163 0.000 0.870 806 N CB -0.162 38.267 38.487 -0.097 0.000 0.979 806 N HN 0.349 nan 8.380 nan 0.000 0.431 807 K N 0.271 120.592 120.400 -0.131 0.000 2.097 807 K HA -0.066 4.266 4.320 0.020 0.000 0.205 807 K C 2.054 178.576 176.600 -0.130 0.000 1.050 807 K CA 0.507 56.745 56.287 -0.081 0.000 0.938 807 K CB -0.033 32.466 32.500 -0.002 0.000 0.718 807 K HN 0.015 nan 8.250 nan 0.000 0.442 808 L N 1.092 122.163 121.223 -0.254 0.000 1.989 808 L HA -0.129 4.222 4.340 0.020 0.000 0.211 808 L C 2.346 179.098 176.870 -0.197 0.000 1.071 808 L CA 2.144 56.821 54.840 -0.272 0.000 0.749 808 L CB -1.218 40.555 42.059 -0.478 0.000 0.890 808 L HN 0.283 nan 8.230 nan 0.000 0.431 809 A N -1.385 121.317 122.820 -0.197 0.000 1.948 809 A HA -0.321 4.011 4.320 0.020 0.000 0.220 809 A C 2.302 179.822 177.584 -0.106 0.000 1.177 809 A CA 2.042 53.990 52.037 -0.148 0.000 0.636 809 A CB -0.643 18.275 19.000 -0.137 0.000 0.815 809 A HN 0.615 nan 8.150 nan 0.000 0.449 810 Q N -0.778 118.968 119.800 -0.091 0.000 2.079 810 Q HA -0.141 4.211 4.340 0.020 0.000 0.200 810 Q C 1.865 177.835 176.000 -0.049 0.000 0.974 810 Q CA 1.416 57.183 55.803 -0.059 0.000 0.840 810 Q CB -0.148 28.563 28.738 -0.046 0.000 0.898 810 Q HN 0.552 nan 8.270 nan 0.000 0.430 811 I N 1.311 121.848 120.570 -0.055 0.000 2.179 811 I HA -0.253 3.929 4.170 0.020 0.000 0.242 811 I C 2.323 178.413 176.117 -0.046 0.000 1.088 811 I CA 1.612 62.891 61.300 -0.035 0.000 1.357 811 I CB -1.358 36.621 38.000 -0.034 0.000 1.051 811 I HN 0.424 nan 8.210 nan 0.000 0.409 812 E N 1.112 121.267 120.200 -0.076 0.000 2.097 812 E HA -0.255 4.106 4.350 0.020 0.000 0.196 812 E C 1.911 178.475 176.600 -0.061 0.000 1.000 812 E CA 1.804 58.154 56.400 -0.083 0.000 0.804 812 E CB -0.070 29.560 29.700 -0.117 0.000 0.740 812 E HN 0.570 nan 8.360 nan 0.000 0.454 813 N N -0.161 118.506 118.700 -0.055 0.000 2.188 813 N HA -0.141 4.610 4.740 0.020 0.000 0.184 813 N C 1.838 177.334 175.510 -0.023 0.000 1.018 813 N CA 0.806 53.832 53.050 -0.040 0.000 0.858 813 N CB -0.017 38.446 38.487 -0.040 0.000 0.989 813 N HN 0.044 nan 8.380 nan 0.000 0.426 814 K N 0.717 121.108 120.400 -0.016 0.000 2.057 814 K HA -0.098 4.233 4.320 0.020 0.000 0.207 814 K C 1.621 178.226 176.600 0.009 0.000 1.049 814 K CA 0.928 57.215 56.287 -0.000 0.000 0.931 814 K CB 0.076 32.580 32.500 0.007 0.000 0.714 814 K HN 0.000 nan 8.250 nan 0.000 0.440 815 L N 0.743 121.969 121.223 0.005 0.000 2.056 815 L HA -0.100 4.252 4.340 0.020 0.000 0.207 815 L C 2.272 179.152 176.870 0.017 0.000 1.078 815 L CA 1.530 56.382 54.840 0.020 0.000 0.749 815 L CB -0.651 41.414 42.059 0.009 0.000 0.901 815 L HN 0.081 nan 8.230 nan 0.000 0.433 816 S N -1.063 114.634 115.700 -0.005 0.000 2.383 816 S HA -0.197 4.285 4.470 0.020 0.000 0.227 816 S C 1.886 176.492 174.600 0.010 0.000 1.026 816 S CA 0.961 59.160 58.200 -0.002 0.000 0.981 816 S CB -0.234 62.952 63.200 -0.023 0.000 0.818 816 S HN 0.473 nan 8.310 nan 0.000 0.472 817 E N 1.497 121.701 120.200 0.007 0.000 2.118 817 E HA -0.195 4.167 4.350 0.020 0.000 0.195 817 E C 2.138 178.752 176.600 0.023 0.000 0.992 817 E CA 0.836 57.243 56.400 0.011 0.000 0.804 817 E CB 0.002 29.705 29.700 0.006 0.000 0.741 817 E HN 0.370 nan 8.360 nan 0.000 0.458 818 R N 0.061 120.579 120.500 0.031 0.000 2.120 818 R HA -0.101 4.251 4.340 0.020 0.000 0.234 818 R C 1.865 178.199 176.300 0.057 0.000 1.123 818 R CA 1.455 57.582 56.100 0.045 0.000 0.975 818 R CB -0.515 29.819 30.300 0.058 0.000 0.866 818 R HN 0.350 nan 8.270 nan 0.000 0.446 819 N N 0.346 119.084 118.700 0.062 0.000 2.459 819 N HA -0.083 4.669 4.740 0.020 0.000 0.181 819 N C 0.840 176.383 175.510 0.056 0.000 1.046 819 N CA 0.591 53.686 53.050 0.075 0.000 0.904 819 N CB -0.026 38.508 38.487 0.078 0.000 0.964 819 N HN 0.279 nan 8.380 nan 0.000 0.444 820 N N 0.133 118.856 118.700 0.039 0.000 2.299 820 N HA -0.027 4.724 4.740 0.020 0.000 0.187 820 N C -0.605 174.922 175.510 0.028 0.000 1.099 820 N CA -0.030 53.038 53.050 0.031 0.000 0.867 820 N CB 0.405 38.905 38.487 0.021 0.000 0.974 820 N HN 0.088 nan 8.380 nan 0.000 0.477 821 D N 1.206 121.625 120.400 0.031 0.000 2.349 821 D HA -0.031 4.621 4.640 0.020 0.000 0.266 821 D C 0.480 176.796 176.300 0.028 0.000 1.293 821 D CA 0.077 54.093 54.000 0.026 0.000 0.926 821 D CB 0.694 41.510 40.800 0.027 0.000 1.090 821 D HN 0.202 nan 8.370 nan 0.000 0.502 822 E N 2.732 122.946 120.200 0.023 0.000 2.331 822 E HA -0.192 4.170 4.350 0.020 0.000 0.199 822 E C 1.065 177.678 176.600 0.021 0.000 1.008 822 E CA 1.144 57.557 56.400 0.023 0.000 0.843 822 E CB -0.217 29.494 29.700 0.018 0.000 0.761 822 E HN 0.495 nan 8.360 nan 0.000 0.507 823 K N 0.402 120.813 120.400 0.019 0.000 2.487 823 K HA 0.150 4.481 4.320 0.020 0.000 0.192 823 K C 0.165 176.777 176.600 0.019 0.000 1.027 823 K CA 0.274 56.571 56.287 0.016 0.000 1.054 823 K CB 0.248 32.756 32.500 0.013 0.000 0.824 823 K HN 0.134 nan 8.250 nan 0.000 0.510 824 L N 1.582 122.821 121.223 0.027 0.000 2.828 824 L HA 0.256 4.608 4.340 0.020 0.000 0.233 824 L C 0.929 177.821 176.870 0.036 0.000 1.250 824 L CA -0.449 54.410 54.840 0.031 0.000 1.125 824 L CB 0.340 42.423 42.059 0.041 0.000 1.432 824 L HN -0.016 nan 8.230 nan 0.000 0.444 825 R N 0.478 120.994 120.500 0.027 0.000 2.276 825 R HA 0.015 4.367 4.340 0.020 0.000 0.203 825 R C 1.165 177.487 176.300 0.038 0.000 1.017 825 R CA 0.357 56.477 56.100 0.034 0.000 1.010 825 R CB -0.116 30.201 30.300 0.027 0.000 0.900 825 R HN 0.470 nan 8.270 nan 0.000 0.469 826 N N 0.647 119.360 118.700 0.022 0.000 2.609 826 N HA -0.079 4.673 4.740 0.020 0.000 0.190 826 N C 1.243 176.781 175.510 0.047 0.000 1.157 826 N CA 0.469 53.528 53.050 0.016 0.000 0.918 826 N CB -0.071 38.401 38.487 -0.026 0.000 0.978 826 N HN 0.234 nan 8.380 nan 0.000 0.448 827 R N -0.978 119.569 120.500 0.078 0.000 2.127 827 R HA 0.170 4.521 4.340 0.020 0.000 0.217 827 R C 1.300 177.714 176.300 0.190 0.000 1.074 827 R CA 0.630 56.813 56.100 0.138 0.000 0.991 827 R CB 0.156 30.538 30.300 0.136 0.000 0.895 827 R HN 0.247 nan 8.270 nan 0.000 0.450 828 C N -1.248 118.134 119.300 0.138 0.000 2.341 828 C HA 0.398 4.870 4.460 0.020 0.000 0.372 828 C C 1.128 176.190 174.990 0.121 0.000 1.430 828 C CA 0.363 59.461 59.018 0.134 0.000 2.316 828 C CB 0.003 27.800 27.740 0.094 0.000 2.416 828 C HN 0.734 nan 8.230 nan 0.000 0.583 829 G N 1.743 110.598 108.800 0.091 0.000 2.877 829 G HA2 -0.170 3.801 3.960 0.020 0.000 0.279 829 G HA3 -0.170 3.801 3.960 0.020 0.000 0.279 829 G C -1.840 173.105 174.900 0.075 0.000 1.431 829 G CA -0.030 45.120 45.100 0.084 0.000 0.883 829 G HN 0.197 nan 8.290 nan 0.000 0.547 830 P HA 0.006 nan 4.420 nan 0.000 0.226 830 P C 0.941 178.274 177.300 0.055 0.000 1.146 830 P CA 1.687 64.821 63.100 0.056 0.000 0.773 830 P CB 0.137 31.868 31.700 0.051 0.000 0.772 831 V N 0.017 119.972 119.914 0.068 0.000 2.666 831 V HA 0.198 4.330 4.120 0.020 0.000 0.306 831 V C -0.370 175.740 176.094 0.027 0.000 1.156 831 V CA -0.557 61.772 62.300 0.048 0.000 1.274 831 V CB -1.162 30.699 31.823 0.064 0.000 1.536 831 V HN -0.077 nan 8.190 nan 0.000 0.640 832 Q N 2.240 122.063 119.800 0.038 0.000 2.312 832 Q HA -0.215 4.137 4.340 0.020 0.000 0.303 832 Q C 0.131 176.145 176.000 0.024 0.000 1.172 832 Q CA 1.551 57.378 55.803 0.039 0.000 1.017 832 Q CB -0.589 28.166 28.738 0.029 0.000 1.145 832 Q HN 0.787 nan 8.270 nan 0.000 0.296 833 M N 3.494 123.125 119.600 0.052 0.000 2.944 833 M HA 0.268 4.760 4.480 0.020 0.000 0.235 833 M C -2.357 174.057 176.300 0.190 0.000 1.188 833 M CA -2.172 53.138 55.300 0.017 0.000 0.688 833 M CB 1.151 33.690 32.600 -0.101 0.000 1.406 833 M HN 0.113 nan 8.290 nan 0.000 0.479 834 P HA -0.194 nan 4.420 nan 0.000 0.257 834 P C -1.049 176.475 177.300 0.374 0.000 1.162 834 P CA 0.461 63.709 63.100 0.248 0.000 0.762 834 P CB 0.012 31.805 31.700 0.155 0.000 0.753 835 Y N 3.814 124.251 120.300 0.227 0.000 2.754 835 Y HA 0.002 4.564 4.550 0.020 0.000 0.349 835 Y C 1.282 177.181 175.900 -0.002 0.000 1.179 835 Y CA 1.151 59.351 58.100 0.166 0.000 1.538 835 Y CB -0.012 38.543 38.460 0.158 0.000 1.200 835 Y HN 0.338 nan 8.280 nan 0.000 0.522 836 T N 6.417 120.572 114.554 -0.665 0.000 3.043 836 T HA 0.031 4.393 4.350 0.020 0.000 0.272 836 T C 1.433 175.689 174.700 -0.740 0.000 0.990 836 T CA -0.206 61.567 62.100 -0.545 0.000 0.897 836 T CB 0.006 68.748 68.868 -0.210 0.000 1.111 836 T HN 0.473 nan 8.240 nan 0.000 0.529 837 L N 1.086 121.616 121.223 -1.154 0.000 2.263 837 L HA 0.074 4.426 4.340 0.020 0.000 0.216 837 L C 1.150 177.798 176.870 -0.370 0.000 1.111 837 L CA 1.467 55.850 54.840 -0.761 0.000 0.773 837 L CB -0.335 41.276 42.059 -0.748 0.000 0.906 837 L HN 0.233 nan 8.230 nan 0.000 0.439 838 L N -1.144 119.863 121.223 -0.359 0.000 3.202 838 L HA 0.296 4.648 4.340 0.020 0.000 0.278 838 L C -0.367 176.429 176.870 -0.124 0.000 1.268 838 L CA -0.221 54.540 54.840 -0.132 0.000 1.034 838 L CB 0.178 42.244 42.059 0.011 0.000 1.407 838 L HN -0.098 nan 8.230 nan 0.000 0.581 839 L N 1.002 122.110 121.223 -0.192 0.000 2.290 839 L HA 0.344 4.696 4.340 0.020 0.000 0.284 839 L C -1.219 175.536 176.870 -0.191 0.000 1.078 839 L CA -1.234 53.502 54.840 -0.173 0.000 0.815 839 L CB 0.935 42.876 42.059 -0.197 0.000 1.162 839 L HN -0.026 nan 8.230 nan 0.000 0.435 840 P HA -0.068 nan 4.420 nan 0.000 0.216 840 P C -0.345 176.754 177.300 -0.335 0.000 1.150 840 P CA 1.033 64.019 63.100 -0.190 0.000 0.837 840 P CB 0.316 31.909 31.700 -0.178 0.000 0.786 841 S N -1.163 114.278 115.700 -0.433 0.000 2.617 841 S HA 0.534 5.016 4.470 0.020 0.000 0.283 841 S C -0.013 174.138 174.600 -0.749 0.000 1.189 841 S CA -0.472 57.308 58.200 -0.699 0.000 1.036 841 S CB 1.448 64.365 63.200 -0.472 0.000 1.014 841 S HN 0.003 nan 8.310 nan 0.000 0.522 842 S N 0.195 115.266 115.700 -1.049 0.000 2.607 842 S HA 0.454 4.936 4.470 0.020 0.000 0.273 842 S C 0.382 174.669 174.600 -0.522 0.000 1.148 842 S CA -0.801 56.981 58.200 -0.696 0.000 0.833 842 S CB 1.173 63.846 63.200 -0.877 0.000 1.130 842 S HN 0.813 nan 8.310 nan 0.000 0.470 843 K N 1.103 121.345 120.400 -0.263 0.000 2.121 843 K HA 0.410 4.742 4.320 0.020 0.000 0.203 843 K C 1.101 177.682 176.600 -0.031 0.000 1.041 843 K CA 0.525 56.733 56.287 -0.132 0.000 0.969 843 K CB -0.065 32.384 32.500 -0.086 0.000 0.799 843 K HN 0.638 nan 8.250 nan 0.000 0.456 844 E N -0.458 119.755 120.200 0.023 0.000 1.741 844 E HA 0.030 4.392 4.350 0.020 0.000 0.200 844 E C 0.594 177.269 176.600 0.125 0.000 0.960 844 E CA 0.380 56.835 56.400 0.093 0.000 1.186 844 E CB 0.253 29.981 29.700 0.047 0.000 3.975 844 E HN 0.346 nan 8.360 nan 0.000 0.827 845 G N 1.135 110.003 108.800 0.113 0.000 3.227 845 G HA2 0.334 4.306 3.960 0.020 0.000 0.171 845 G HA3 0.334 4.306 3.960 0.020 0.000 0.171 845 G C -0.276 174.699 174.900 0.126 0.000 1.463 845 G CA -0.371 44.782 45.100 0.088 0.000 1.016 845 G HN -0.007 nan 8.290 nan 0.000 0.594 846 L N 2.166 123.433 121.223 0.074 0.000 2.796 846 L HA 0.390 4.742 4.340 0.020 0.000 0.235 846 L C 0.253 177.202 176.870 0.132 0.000 1.344 846 L CA -0.223 54.666 54.840 0.082 0.000 1.245 846 L CB -0.615 41.435 42.059 -0.016 0.000 1.556 846 L HN 0.219 nan 8.230 nan 0.000 0.423 847 T N 0.582 115.255 114.554 0.198 0.000 2.856 847 T HA 0.141 4.503 4.350 0.020 0.000 0.292 847 T C 0.066 174.925 174.700 0.265 0.000 0.980 847 T CA -0.120 62.090 62.100 0.184 0.000 1.091 847 T CB 0.731 69.682 68.868 0.138 0.000 0.936 847 T HN 0.243 nan 8.240 nan 0.000 0.503 848 F N 5.612 125.587 119.950 0.042 0.000 2.871 848 F HA 0.343 4.881 4.527 0.019 0.000 0.317 848 F C 0.708 176.510 175.800 0.004 0.000 1.193 848 F CA -0.893 57.135 58.000 0.047 0.000 1.311 848 F CB -0.690 38.300 39.000 -0.018 0.000 1.380 848 F HN 0.596 nan 8.300 nan 0.000 0.557 849 R N -0.475 119.982 120.500 -0.071 0.000 2.921 849 R HA 0.634 4.986 4.340 0.020 0.000 0.268 849 R C -0.504 175.638 176.300 -0.262 0.000 1.008 849 R CA -0.813 55.144 56.100 -0.237 0.000 0.876 849 R CB 0.339 30.484 30.300 -0.258 0.000 1.395 849 R HN 0.567 nan 8.270 nan 0.000 0.443 850 G N 0.714 109.315 108.800 -0.332 0.000 3.439 850 G HA2 -0.071 3.901 3.960 0.020 0.000 0.684 850 G HA3 -0.071 3.901 3.960 0.020 0.000 0.684 850 G C -0.734 174.093 174.900 -0.121 0.000 1.005 850 G CA -0.330 44.521 45.100 -0.415 0.000 0.837 850 G HN 0.498 nan 8.290 nan 0.000 0.470 851 I N 5.006 125.581 120.570 0.008 0.000 2.291 851 I HA 0.216 4.397 4.170 0.020 0.000 0.290 851 I C -1.641 174.593 176.117 0.196 0.000 1.050 851 I CA -2.181 59.178 61.300 0.098 0.000 1.245 851 I CB 1.485 39.516 38.000 0.052 0.000 1.405 851 I HN 0.224 nan 8.210 nan 0.000 0.478 852 P HA 0.054 nan 4.420 nan 0.000 0.272 852 P C 0.249 177.574 177.300 0.042 0.000 1.248 852 P CA -0.150 62.939 63.100 -0.018 0.000 0.799 852 P CB 0.613 32.318 31.700 0.009 0.000 0.997 853 N N -1.191 117.497 118.700 -0.020 0.000 2.416 853 N HA -0.003 4.748 4.740 0.020 0.000 0.177 853 N C 0.460 176.056 175.510 0.143 0.000 1.036 853 N CA 0.734 53.839 53.050 0.091 0.000 0.901 853 N CB 0.032 38.410 38.487 -0.182 0.000 0.976 853 N HN 0.468 nan 8.380 nan 0.000 0.444 854 S N -0.754 114.947 115.700 0.001 0.000 2.661 854 S HA 0.528 5.010 4.470 0.020 0.000 0.285 854 S C -0.465 174.058 174.600 -0.128 0.000 1.138 854 S CA -0.849 57.331 58.200 -0.033 0.000 0.855 854 S CB 1.445 64.593 63.200 -0.088 0.000 1.136 854 S HN -0.004 nan 8.310 nan 0.000 0.484 855 I N 3.049 123.457 120.570 -0.270 0.000 2.329 855 I HA 0.177 4.359 4.170 0.020 0.000 0.295 855 I C 0.920 176.823 176.117 -0.356 0.000 1.109 855 I CA -0.198 60.705 61.300 -0.662 0.000 1.297 855 I CB 0.665 38.200 38.000 -0.775 0.000 1.433 855 I HN 0.875 nan 8.210 nan 0.000 0.509 856 S N 5.175 120.755 115.700 -0.200 0.000 2.554 856 S HA 0.288 4.769 4.470 0.020 0.000 0.227 856 S C 0.164 174.817 174.600 0.089 0.000 1.050 856 S CA -0.224 57.956 58.200 -0.033 0.000 0.927 856 S CB 0.472 63.652 63.200 -0.032 0.000 0.859 856 S HN 0.458 nan 8.310 nan 0.000 0.494 857 I N 0.000 120.677 120.570 0.178 0.000 2.984 857 I HA 0.000 4.182 4.170 0.020 0.000 0.288 857 I CA 0.000 61.444 61.300 0.241 0.000 1.566 857 I CB 0.000 38.102 38.000 0.170 0.000 1.214 857 I HN 0.000 nan 8.210 nan 0.000 0.494