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 1rov_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 XLNTHAVVEP FIIATNRHLS VVHPIYKLLH PHYRDTMNIN DATA SEQUENCE GLARLSXVND 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 3.970 3.960 0.017 0.000 0.244 9 G C 0.000 175.024 174.900 0.206 0.000 0.946 9 G CA 0.000 45.164 45.100 0.108 0.000 0.502 10 H N -0.661 118.460 119.070 0.086 0.000 2.879 10 H HA 0.429 4.995 4.556 0.017 0.000 0.237 10 H C -1.834 173.579 175.328 0.141 0.000 1.347 10 H CA -0.699 55.414 56.048 0.108 0.000 1.386 10 H CB 0.643 30.486 29.762 0.136 0.000 1.801 10 H HN 0.409 nan 8.280 nan 0.000 0.434 11 K N 2.470 122.627 120.400 -0.404 0.000 2.274 11 K HA 0.449 4.779 4.320 0.017 0.000 0.262 11 K C -0.553 175.922 176.600 -0.207 0.000 0.961 11 K CA -0.730 55.436 56.287 -0.202 0.000 0.833 11 K CB 0.963 33.361 32.500 -0.170 0.000 1.102 11 K HN 0.336 nan 8.250 nan 0.000 0.436 12 I N 4.098 124.723 120.570 0.092 0.000 2.416 12 I HA 0.093 4.273 4.170 0.017 0.000 0.288 12 I C 0.257 176.419 176.117 0.076 0.000 1.051 12 I CA -0.190 61.178 61.300 0.113 0.000 1.375 12 I CB 0.905 38.950 38.000 0.073 0.000 1.407 12 I HN 0.457 nan 8.210 nan 0.000 0.516 13 K N 5.162 125.578 120.400 0.027 0.000 2.316 13 K HA 0.414 4.744 4.320 0.017 0.000 0.289 13 K C 0.379 176.981 176.600 0.002 0.000 1.070 13 K CA -0.234 56.043 56.287 -0.016 0.000 0.928 13 K CB 1.197 33.685 32.500 -0.020 0.000 1.039 13 K HN 0.813 nan 8.250 nan 0.000 0.480 14 G N 1.541 110.312 108.800 -0.050 0.000 2.400 14 G HA2 0.388 4.358 3.960 0.017 0.000 0.333 14 G HA3 0.388 4.358 3.960 0.017 0.000 0.333 14 G C -0.794 174.055 174.900 -0.084 0.000 1.143 14 G CA -0.329 44.752 45.100 -0.033 0.000 0.914 14 G HN 0.377 nan 8.290 nan 0.000 0.480 15 T N 0.822 115.325 114.554 -0.085 0.000 2.840 15 T HA 0.466 4.826 4.350 0.017 0.000 0.287 15 T C -0.480 174.158 174.700 -0.105 0.000 0.991 15 T CA -0.290 61.761 62.100 -0.081 0.000 0.964 15 T CB 1.687 70.516 68.868 -0.066 0.000 0.954 15 T HN 0.318 nan 8.240 nan 0.000 0.438 16 V N 4.157 124.032 119.914 -0.066 0.000 2.417 16 V HA 0.519 4.649 4.120 0.017 0.000 0.291 16 V C -0.202 175.886 176.094 -0.009 0.000 1.024 16 V CA -0.676 61.579 62.300 -0.075 0.000 0.861 16 V CB 1.790 33.559 31.823 -0.090 0.000 0.985 16 V HN 0.690 nan 8.190 nan 0.000 0.436 17 V N 6.616 126.505 119.914 -0.041 0.000 2.459 17 V HA 0.622 4.752 4.120 0.017 0.000 0.295 17 V C -0.252 175.815 176.094 -0.045 0.000 1.029 17 V CA -0.430 61.855 62.300 -0.026 0.000 0.874 17 V CB 1.600 33.416 31.823 -0.011 0.000 0.985 17 V HN 0.736 nan 8.190 nan 0.000 0.438 18 L N 2.794 123.990 121.223 -0.045 0.000 2.502 18 L HA 0.781 5.131 4.340 0.017 0.000 0.253 18 L C -1.432 175.418 176.870 -0.033 0.000 1.070 18 L CA -0.926 53.880 54.840 -0.057 0.000 0.871 18 L CB 2.566 44.523 42.059 -0.170 0.000 1.487 18 L HN 0.604 nan 8.230 nan 0.000 0.408 19 M N 1.159 120.780 119.600 0.035 0.000 2.326 19 M HA 0.535 5.025 4.480 0.017 0.000 0.306 19 M C -0.484 175.862 176.300 0.076 0.000 1.054 19 M CA -0.496 54.829 55.300 0.042 0.000 0.922 19 M CB 2.830 35.475 32.600 0.076 0.000 1.632 19 M HN 0.580 nan 8.290 nan 0.000 0.436 20 R N 1.512 122.065 120.500 0.088 0.000 2.537 20 R HA 0.055 4.405 4.340 0.017 0.000 0.280 20 R C 1.213 177.683 176.300 0.284 0.000 1.058 20 R CA 0.093 56.323 56.100 0.216 0.000 1.057 20 R CB 0.767 31.181 30.300 0.190 0.000 0.973 20 R HN 0.646 nan 8.270 nan 0.000 0.438 21 K N 2.831 123.481 120.400 0.416 0.000 2.089 21 K HA -0.291 4.039 4.320 0.017 0.000 0.210 21 K C 0.862 177.654 176.600 0.321 0.000 1.048 21 K CA 1.833 58.420 56.287 0.501 0.000 0.926 21 K CB 0.025 32.762 32.500 0.396 0.000 0.714 21 K HN 0.564 nan 8.250 nan 0.000 0.448 22 N N 0.218 119.056 118.700 0.231 0.000 2.443 22 N HA -0.133 4.617 4.740 0.017 0.000 0.184 22 N C 1.414 177.012 175.510 0.146 0.000 1.037 22 N CA 0.910 54.055 53.050 0.159 0.000 0.896 22 N CB 0.182 38.751 38.487 0.136 0.000 0.959 22 N HN 0.081 nan 8.380 nan 0.000 0.442 23 V N 0.440 120.455 119.914 0.168 0.000 3.590 23 V HA 0.143 4.273 4.120 0.017 0.000 0.265 23 V C 1.572 177.768 176.094 0.170 0.000 1.239 23 V CA 0.531 62.915 62.300 0.139 0.000 1.117 23 V CB 0.246 32.134 31.823 0.107 0.000 0.818 23 V HN 0.186 nan 8.190 nan 0.000 0.451 24 L N -1.148 120.216 121.223 0.236 0.000 2.993 24 L HA 0.355 4.705 4.340 0.017 0.000 0.264 24 L C 0.236 177.344 176.870 0.396 0.000 1.154 24 L CA -0.017 54.997 54.840 0.291 0.000 0.972 24 L CB 0.709 42.955 42.059 0.313 0.000 1.373 24 L HN 0.201 nan 8.230 nan 0.000 0.564 25 D N 0.251 120.815 120.400 0.273 0.000 2.312 25 D HA 0.031 4.681 4.640 0.017 0.000 0.252 25 D C 1.069 177.329 176.300 -0.067 0.000 1.150 25 D CA 0.172 54.251 54.000 0.132 0.000 0.870 25 D CB 1.994 42.838 40.800 0.073 0.000 1.153 25 D HN -0.159 nan 8.370 nan 0.000 0.457 26 V N 4.765 124.444 119.914 -0.392 0.000 2.380 26 V HA -0.293 3.837 4.120 0.017 0.000 0.251 26 V C 1.404 177.134 176.094 -0.606 0.000 1.063 26 V CA 2.033 63.676 62.300 -1.096 0.000 1.055 26 V CB -0.454 30.442 31.823 -1.545 0.000 0.657 26 V HN 0.570 nan 8.190 nan 0.000 0.455 27 N N -0.019 118.487 118.700 -0.324 0.000 2.270 27 N HA -0.072 4.678 4.740 0.017 0.000 0.181 27 N C 1.976 177.419 175.510 -0.112 0.000 1.016 27 N CA 1.679 54.622 53.050 -0.179 0.000 0.870 27 N CB -0.336 38.103 38.487 -0.081 0.000 0.979 27 N HN 0.531 nan 8.380 nan 0.000 0.431 28 S N 0.033 115.687 115.700 -0.078 0.000 2.371 28 S HA 0.035 4.515 4.470 0.017 0.000 0.221 28 S C 2.156 176.740 174.600 -0.027 0.000 1.036 28 S CA 0.380 58.566 58.200 -0.023 0.000 0.965 28 S CB -0.161 63.055 63.200 0.027 0.000 0.845 28 S HN 0.044 nan 8.310 nan 0.000 0.475 29 V N 2.295 122.186 119.914 -0.038 0.000 2.594 29 V HA -0.176 3.954 4.120 0.017 0.000 0.253 29 V C 2.327 178.405 176.094 -0.027 0.000 1.069 29 V CA 1.650 63.954 62.300 0.006 0.000 1.082 29 V CB -1.554 30.334 31.823 0.108 0.000 0.680 29 V HN 0.487 nan 8.190 nan 0.000 0.469 30 T N 0.959 115.452 114.554 -0.102 0.000 2.502 30 T HA -0.406 3.954 4.350 0.017 0.000 0.238 30 T C 2.068 176.758 174.700 -0.016 0.000 1.324 30 T CA 3.108 65.164 62.100 -0.072 0.000 1.111 30 T CB -0.712 68.109 68.868 -0.078 0.000 0.835 30 T HN 0.822 nan 8.240 nan 0.000 0.449 31 S N 1.878 117.575 115.700 -0.005 0.000 2.460 31 S HA -0.195 4.285 4.470 0.017 0.000 0.241 31 S C 1.410 176.022 174.600 0.020 0.000 1.051 31 S CA 1.938 60.144 58.200 0.009 0.000 1.223 31 S CB -1.412 61.796 63.200 0.014 0.000 1.160 31 S HN 0.456 nan 8.310 nan 0.000 0.424 47 L N -1.150 120.080 121.223 0.012 0.000 3.015 47 L HA -0.235 4.114 4.340 0.017 0.000 0.389 47 L C -0.069 176.817 176.870 0.027 0.000 0.737 47 L CA 1.077 55.928 54.840 0.019 0.000 3.213 47 L CB -1.716 40.356 42.059 0.021 0.000 0.600 47 L HN 0.614 nan 8.230 nan 0.000 0.774 48 D N 0.443 120.860 120.400 0.028 0.000 3.478 48 D HA -0.126 4.524 4.640 0.017 0.000 0.219 48 D C 1.154 177.492 176.300 0.064 0.000 1.143 48 D CA 1.185 55.207 54.000 0.037 0.000 1.047 48 D CB 0.036 40.848 40.800 0.020 0.000 0.820 48 D HN 0.719 nan 8.370 nan 0.000 0.393 49 T N -1.744 112.863 114.554 0.088 0.000 3.081 49 T HA 0.029 4.389 4.350 0.017 0.000 0.255 49 T C 1.603 176.438 174.700 0.225 0.000 1.113 49 T CA -0.191 61.989 62.100 0.134 0.000 1.082 49 T CB 0.305 69.257 68.868 0.141 0.000 0.939 49 T HN 0.200 nan 8.240 nan 0.000 0.506 50 L N 1.671 123.028 121.223 0.224 0.000 2.558 50 L HA 0.263 4.613 4.340 0.017 0.000 0.225 50 L C 2.462 179.583 176.870 0.419 0.000 1.128 50 L CA 0.832 55.901 54.840 0.382 0.000 0.868 50 L CB -1.322 40.836 42.059 0.166 0.000 1.006 50 L HN 0.260 nan 8.230 nan 0.000 0.454 51 T N -0.252 114.443 114.554 0.235 0.000 2.821 51 T HA -0.123 4.237 4.350 0.017 0.000 0.267 51 T C 1.994 176.777 174.700 0.138 0.000 1.046 51 T CA 1.249 63.446 62.100 0.162 0.000 1.139 51 T CB -0.007 68.915 68.868 0.090 0.000 0.871 51 T HN 0.397 nan 8.240 nan 0.000 0.454 52 A N 0.666 123.554 122.820 0.113 0.000 2.019 52 A HA 0.022 4.352 4.320 0.017 0.000 0.219 52 A C 1.676 179.179 177.584 -0.135 0.000 1.164 52 A CA 1.056 53.083 52.037 -0.016 0.000 0.644 52 A CB -0.922 18.037 19.000 -0.068 0.000 0.805 52 A HN 0.509 nan 8.150 nan 0.000 0.449 53 F N -1.335 118.609 119.950 -0.009 0.000 2.771 53 F HA 0.059 4.596 4.527 0.016 0.000 0.299 53 F C 1.407 177.118 175.800 -0.149 0.000 1.177 53 F CA 0.475 58.373 58.000 -0.170 0.000 1.450 53 F CB 0.110 38.821 39.000 -0.483 0.000 1.114 53 F HN 0.136 nan 8.300 nan 0.000 0.587 54 L N -1.495 119.781 121.223 0.089 0.000 2.766 54 L HA 0.359 4.709 4.340 0.017 0.000 0.242 54 L C 1.793 178.694 176.870 0.052 0.000 1.136 54 L CA 0.253 55.150 54.840 0.095 0.000 0.933 54 L CB -0.423 41.723 42.059 0.145 0.000 1.241 54 L HN 0.051 nan 8.230 nan 0.000 0.522 55 G N -0.901 107.906 108.800 0.012 0.000 2.593 55 G HA2 0.051 4.021 3.960 0.017 0.000 0.212 55 G HA3 0.051 4.021 3.960 0.017 0.000 0.212 55 G C 0.942 175.774 174.900 -0.114 0.000 1.934 55 G CA -0.322 44.748 45.100 -0.049 0.000 0.861 55 G HN 0.096 nan 8.290 nan 0.000 0.629 56 R N 0.935 121.311 120.500 -0.206 0.000 2.702 56 R HA 0.322 4.672 4.340 0.017 0.000 0.314 56 R C 1.624 177.963 176.300 0.065 0.000 1.152 56 R CA -0.098 55.738 56.100 -0.440 0.000 1.097 56 R CB 0.586 30.506 30.300 -0.633 0.000 1.343 56 R HN 0.240 nan 8.270 nan 0.000 0.575 57 S N -0.121 115.717 115.700 0.230 0.000 2.406 57 S HA 0.056 4.535 4.470 0.017 0.000 0.224 57 S C 0.788 175.689 174.600 0.501 0.000 1.030 57 S CA 0.505 58.882 58.200 0.295 0.000 0.958 57 S CB 0.553 63.777 63.200 0.041 0.000 0.811 57 S HN -0.002 nan 8.310 nan 0.000 0.489 58 V N 2.211 122.391 119.914 0.443 0.000 2.623 58 V HA 0.530 4.660 4.120 0.017 0.000 0.304 58 V C -0.618 175.511 176.094 0.059 0.000 1.054 58 V CA -0.755 61.697 62.300 0.254 0.000 0.882 58 V CB 1.935 33.816 31.823 0.097 0.000 1.002 58 V HN 0.363 nan 8.190 nan 0.000 0.424 59 S N 5.594 121.234 115.700 -0.099 0.000 2.532 59 S HA 0.928 5.408 4.470 0.017 0.000 0.301 59 S C -1.173 173.357 174.600 -0.117 0.000 1.083 59 S CA -0.732 57.228 58.200 -0.401 0.000 1.025 59 S CB 1.965 64.678 63.200 -0.811 0.000 1.056 59 S HN 0.371 nan 8.310 nan 0.000 0.494 60 L N 1.713 122.897 121.223 -0.065 0.000 2.381 60 L HA 0.635 4.985 4.340 0.017 0.000 0.268 60 L C -0.319 176.660 176.870 0.182 0.000 0.997 60 L CA -0.245 54.664 54.840 0.116 0.000 0.818 60 L CB 1.993 44.140 42.059 0.147 0.000 1.310 60 L HN 0.915 nan 8.230 nan 0.000 0.416 61 Q N 2.392 122.286 119.800 0.157 0.000 2.275 61 Q HA 0.520 4.869 4.340 0.017 0.000 0.266 61 Q C -1.639 174.367 176.000 0.010 0.000 1.002 61 Q CA -0.796 55.087 55.803 0.133 0.000 0.761 61 Q CB 1.781 30.640 28.738 0.202 0.000 1.255 61 Q HN 0.458 nan 8.270 nan 0.000 0.446 62 L N 3.773 124.913 121.223 -0.137 0.000 2.436 62 L HA 0.400 4.750 4.340 0.017 0.000 0.265 62 L C -0.455 176.404 176.870 -0.019 0.000 1.168 62 L CA 0.029 54.702 54.840 -0.278 0.000 0.815 62 L CB 1.092 42.754 42.059 -0.662 0.000 1.109 62 L HN 0.626 nan 8.230 nan 0.000 0.462 63 I N 1.611 122.144 120.570 -0.061 0.000 2.498 63 I HA 0.218 4.398 4.170 0.017 0.000 0.290 63 I C 0.125 176.351 176.117 0.181 0.000 1.032 63 I CA -0.468 60.841 61.300 0.015 0.000 1.073 63 I CB 1.586 39.397 38.000 -0.315 0.000 1.251 63 I HN 0.468 nan 8.210 nan 0.000 0.426 64 S N 3.509 119.405 115.700 0.328 0.000 2.549 64 S HA 0.409 4.889 4.470 0.017 0.000 0.279 64 S C 1.091 175.830 174.600 0.233 0.000 1.321 64 S CA 0.076 58.490 58.200 0.355 0.000 1.054 64 S CB 0.966 64.329 63.200 0.271 0.000 0.899 64 S HN 0.745 nan 8.310 nan 0.000 0.497 65 A N 3.263 126.204 122.820 0.203 0.000 2.132 65 A HA 0.125 4.454 4.320 0.017 0.000 0.213 65 A C 1.788 179.443 177.584 0.118 0.000 1.154 65 A CA 1.078 53.206 52.037 0.152 0.000 0.753 65 A CB -0.306 18.771 19.000 0.130 0.000 0.826 65 A HN 0.906 nan 8.150 nan 0.000 0.469 66 T N -4.663 109.969 114.554 0.130 0.000 3.004 66 T HA 0.328 4.688 4.350 0.017 0.000 0.266 66 T C 0.060 174.803 174.700 0.071 0.000 0.986 66 T CA -0.170 61.985 62.100 0.092 0.000 0.902 66 T CB 0.272 69.202 68.868 0.104 0.000 1.118 66 T HN -0.002 nan 8.240 nan 0.000 0.522 67 K N 1.988 122.436 120.400 0.080 0.000 2.323 67 K HA 0.865 5.195 4.320 0.017 0.000 0.259 67 K C -0.716 175.913 176.600 0.049 0.000 0.947 67 K CA -0.648 55.665 56.287 0.044 0.000 0.819 67 K CB 1.689 34.197 32.500 0.013 0.000 1.109 67 K HN 0.346 nan 8.250 nan 0.000 0.429 68 A N 2.181 125.019 122.820 0.030 0.000 2.320 68 A HA 0.568 4.898 4.320 0.017 0.000 0.334 68 A C -0.243 177.353 177.584 0.021 0.000 1.147 68 A CA -0.635 51.420 52.037 0.029 0.000 0.820 68 A CB 0.468 19.475 19.000 0.010 0.000 1.218 68 A HN 0.788 nan 8.150 nan 0.000 0.482 69 D N 0.877 121.293 120.400 0.027 0.000 2.376 69 D HA 0.350 5.000 4.640 0.017 0.000 0.268 69 D C 1.409 177.712 176.300 0.005 0.000 1.252 69 D CA 0.280 54.292 54.000 0.021 0.000 1.041 69 D CB -0.047 40.776 40.800 0.039 0.000 1.109 69 D HN 0.501 nan 8.370 nan 0.000 0.552 70 A N 0.035 122.858 122.820 0.005 0.000 1.884 70 A HA -0.267 4.063 4.320 0.017 0.000 0.219 70 A C 1.351 178.930 177.584 -0.009 0.000 1.197 70 A CA 2.572 54.608 52.037 -0.001 0.000 0.637 70 A CB -1.385 17.615 19.000 0.001 0.000 0.827 70 A HN 0.836 nan 8.150 nan 0.000 0.450 71 N N -3.188 115.503 118.700 -0.015 0.000 2.610 71 N HA 0.457 5.207 4.740 0.017 0.000 0.309 71 N C 0.507 175.990 175.510 -0.045 0.000 1.536 71 N CA 0.581 53.615 53.050 -0.026 0.000 0.954 71 N CB 0.841 39.312 38.487 -0.026 0.000 1.310 71 N HN 0.662 nan 8.380 nan 0.000 0.502 72 G N 0.094 108.870 108.800 -0.040 0.000 2.232 72 G HA2 -0.275 3.695 3.960 0.017 0.000 0.226 72 G HA3 -0.275 3.695 3.960 0.017 0.000 0.226 72 G C -0.102 174.754 174.900 -0.074 0.000 0.996 72 G CA -0.425 44.644 45.100 -0.052 0.000 0.626 72 G HN 0.335 nan 8.290 nan 0.000 0.509 73 K N 1.428 121.769 120.400 -0.098 0.000 2.218 73 K HA 0.470 4.800 4.320 0.017 0.000 0.276 73 K C 1.108 177.710 176.600 0.003 0.000 1.022 73 K CA 0.103 56.282 56.287 -0.180 0.000 0.946 73 K CB 1.061 33.408 32.500 -0.255 0.000 1.000 73 K HN 0.332 nan 8.250 nan 0.000 0.468 74 G N 2.757 111.645 108.800 0.147 0.000 2.391 74 G HA2 -0.088 3.882 3.960 0.017 0.000 0.234 74 G HA3 -0.088 3.882 3.960 0.017 0.000 0.234 74 G C -0.223 174.832 174.900 0.258 0.000 1.284 74 G CA -0.191 45.072 45.100 0.271 0.000 0.873 74 G HN 0.491 nan 8.290 nan 0.000 0.549 75 K N 0.434 120.933 120.400 0.165 0.000 2.270 75 K HA 0.205 4.535 4.320 0.017 0.000 0.276 75 K C -0.412 176.282 176.600 0.157 0.000 1.023 75 K CA -0.526 55.833 56.287 0.120 0.000 0.955 75 K CB 0.773 33.287 32.500 0.025 0.000 0.975 75 K HN 0.103 nan 8.250 nan 0.000 0.471 76 L N 2.240 123.555 121.223 0.153 0.000 2.289 76 L HA 0.308 4.658 4.340 0.017 0.000 0.285 76 L C 1.090 178.062 176.870 0.171 0.000 1.049 76 L CA -0.004 54.947 54.840 0.184 0.000 0.804 76 L CB 0.881 43.058 42.059 0.197 0.000 1.195 76 L HN 0.741 nan 8.230 nan 0.000 0.428 77 G N 2.543 111.508 108.800 0.275 0.000 2.486 77 G HA2 0.244 4.214 3.960 0.017 0.000 0.272 77 G HA3 0.244 4.214 3.960 0.017 0.000 0.272 77 G C -0.186 174.843 174.900 0.215 0.000 1.426 77 G CA -0.656 44.624 45.100 0.299 0.000 1.058 77 G HN 0.516 nan 8.290 nan 0.000 0.531 78 K N 0.075 120.610 120.400 0.226 0.000 2.143 78 K HA 0.496 4.826 4.320 0.017 0.000 0.272 78 K C 0.018 176.735 176.600 0.194 0.000 1.001 78 K CA -0.388 56.010 56.287 0.184 0.000 0.915 78 K CB 1.712 34.315 32.500 0.171 0.000 1.047 78 K HN 0.473 nan 8.250 nan 0.000 0.458 79 A N 2.365 125.273 122.820 0.147 0.000 2.492 79 A HA 0.248 4.578 4.320 0.017 0.000 0.254 79 A C -0.223 177.401 177.584 0.066 0.000 1.091 79 A CA 0.187 52.273 52.037 0.082 0.000 0.768 79 A CB -0.077 18.953 19.000 0.050 0.000 1.028 79 A HN 0.613 nan 8.150 nan 0.000 0.498 80 T N 2.887 117.440 114.554 -0.001 0.000 2.848 80 T HA 0.557 4.917 4.350 0.017 0.000 0.285 80 T C -0.631 173.958 174.700 -0.184 0.000 0.995 80 T CA -0.098 62.005 62.100 0.006 0.000 0.970 80 T CB 0.582 69.453 68.868 0.005 0.000 0.976 80 T HN 0.351 nan 8.240 nan 0.000 0.441 81 F N 1.652 121.601 119.950 -0.002 0.000 2.371 81 F HA 0.436 4.973 4.527 0.016 0.000 0.329 81 F C 0.476 176.231 175.800 -0.074 0.000 1.107 81 F CA -1.432 56.565 58.000 -0.004 0.000 1.137 81 F CB 0.419 39.425 39.000 0.009 0.000 1.214 81 F HN 0.207 nan 8.300 nan 0.000 0.536 82 L N 2.489 123.757 121.223 0.075 0.000 2.628 82 L HA -0.038 4.312 4.340 0.017 0.000 0.274 82 L C 0.278 177.178 176.870 0.051 0.000 1.209 82 L CA 0.383 55.218 54.840 -0.009 0.000 0.930 82 L CB -0.795 41.193 42.059 -0.118 0.000 1.183 82 L HN 0.460 nan 8.230 nan 0.000 0.492 83 E N 3.208 123.420 120.200 0.020 0.000 2.751 83 E HA 0.558 4.918 4.350 0.017 0.000 0.219 83 E C -0.124 176.509 176.600 0.053 0.000 1.060 83 E CA 0.001 56.418 56.400 0.029 0.000 0.893 83 E CB 0.338 30.027 29.700 -0.018 0.000 1.300 83 E HN 0.690 nan 8.360 nan 0.000 0.433 84 G N 2.472 111.350 108.800 0.128 0.000 2.742 84 G HA2 -0.132 3.838 3.960 0.017 0.000 0.686 84 G HA3 -0.132 3.838 3.960 0.017 0.000 0.686 84 G C -0.540 174.401 174.900 0.070 0.000 1.220 84 G CA -0.752 44.400 45.100 0.087 0.000 0.783 84 G HN 0.291 nan 8.290 nan 0.000 0.646 85 I N 1.533 122.078 120.570 -0.042 0.000 2.474 85 I HA 0.409 4.589 4.170 0.017 0.000 0.287 85 I C 0.879 176.860 176.117 -0.227 0.000 1.048 85 I CA -0.374 60.763 61.300 -0.272 0.000 1.383 85 I CB 1.054 38.936 38.000 -0.195 0.000 1.412 85 I HN 0.369 nan 8.210 nan 0.000 0.531 86 I N 5.522 125.902 120.570 -0.316 0.000 2.354 86 I HA 0.139 4.319 4.170 0.017 0.000 0.286 86 I C 1.064 177.061 176.117 -0.200 0.000 1.007 86 I CA -0.199 60.981 61.300 -0.201 0.000 1.167 86 I CB 1.573 39.470 38.000 -0.172 0.000 1.320 86 I HN 0.718 nan 8.210 nan 0.000 0.458 87 T N 1.745 116.215 114.554 -0.139 0.000 2.867 87 T HA -0.073 4.287 4.350 0.017 0.000 0.268 87 T C 0.815 175.454 174.700 -0.100 0.000 1.057 87 T CA 0.698 62.727 62.100 -0.119 0.000 1.136 87 T CB 0.023 68.843 68.868 -0.080 0.000 0.874 87 T HN 0.507 nan 8.240 nan 0.000 0.466 88 S N -0.192 115.457 115.700 -0.085 0.000 2.535 88 S HA 0.632 5.111 4.470 0.017 0.000 0.272 88 S C -2.133 172.436 174.600 -0.053 0.000 1.149 88 S CA -0.840 57.323 58.200 -0.062 0.000 0.888 88 S CB 1.098 64.271 63.200 -0.046 0.000 1.110 88 S HN 0.100 nan 8.310 nan 0.000 0.463 89 L N 4.070 125.268 121.223 -0.042 0.000 2.469 89 L HA 0.598 4.948 4.340 0.017 0.000 0.256 89 L C -1.758 175.104 176.870 -0.013 0.000 1.006 89 L CA -1.718 53.106 54.840 -0.026 0.000 0.832 89 L CB 1.188 43.232 42.059 -0.026 0.000 1.421 89 L HN 0.422 nan 8.230 nan 0.000 0.410 90 P HA -0.025 nan 4.420 nan 0.000 0.220 90 P C 1.033 178.339 177.300 0.009 0.000 1.148 90 P CA 0.998 64.100 63.100 0.003 0.000 0.803 90 P CB 0.464 32.169 31.700 0.008 0.000 0.782 91 T N -1.483 113.080 114.554 0.015 0.000 3.054 91 T HA 0.208 4.568 4.350 0.017 0.000 0.255 91 T C 1.350 176.065 174.700 0.024 0.000 1.035 91 T CA -0.315 61.801 62.100 0.026 0.000 0.941 91 T CB -0.380 68.513 68.868 0.041 0.000 1.026 91 T HN -0.077 nan 8.240 nan 0.000 0.533 92 L N 1.171 122.398 121.223 0.007 0.000 1.933 92 L HA 0.095 4.445 4.340 0.017 0.000 0.220 92 L C 1.259 178.132 176.870 0.005 0.000 1.078 92 L CA 1.826 56.664 54.840 -0.003 0.000 0.773 92 L CB -0.758 41.284 42.059 -0.028 0.000 0.890 92 L HN 0.546 nan 8.230 nan 0.000 0.434 93 G N -1.790 107.012 108.800 0.003 0.000 2.907 93 G HA2 0.027 3.997 3.960 0.017 0.000 0.686 93 G HA3 0.027 3.997 3.960 0.017 0.000 0.686 93 G C -0.278 174.627 174.900 0.009 0.000 1.115 93 G CA -0.538 44.570 45.100 0.013 0.000 0.760 93 G HN 0.721 nan 8.290 nan 0.000 0.620 94 A N 0.863 123.691 122.820 0.014 0.000 2.566 94 A HA 0.611 4.941 4.320 0.017 0.000 0.245 94 A C 2.153 179.747 177.584 0.018 0.000 1.056 94 A CA 2.332 54.378 52.037 0.015 0.000 0.757 94 A CB -0.145 18.868 19.000 0.022 0.000 0.979 94 A HN 2.971 nan 8.150 nan 0.000 0.508 95 G N 1.519 110.326 108.800 0.013 0.000 2.189 95 G HA2 -0.250 3.720 3.960 0.017 0.000 0.267 95 G HA3 -0.250 3.720 3.960 0.017 0.000 0.267 95 G C 0.183 175.085 174.900 0.004 0.000 0.975 95 G CA 0.767 45.877 45.100 0.016 0.000 0.644 95 G HN 1.001 nan 8.290 nan 0.000 0.537 96 Q N 0.230 120.025 119.800 -0.008 0.000 2.230 96 Q HA 0.629 4.978 4.340 0.017 0.000 0.248 96 Q C -0.468 175.486 176.000 -0.077 0.000 0.915 96 Q CA -0.104 55.686 55.803 -0.023 0.000 0.900 96 Q CB 1.657 30.393 28.738 -0.004 0.000 1.229 96 Q HN 0.279 nan 8.270 nan 0.000 0.439 97 S N 0.622 116.250 115.700 -0.120 0.000 2.521 97 S HA 0.765 5.244 4.470 0.017 0.000 0.295 97 S C -1.049 173.374 174.600 -0.296 0.000 1.098 97 S CA -0.841 57.209 58.200 -0.251 0.000 0.999 97 S CB 1.825 64.849 63.200 -0.292 0.000 1.034 97 S HN 0.696 nan 8.310 nan 0.000 0.483 98 A N 2.015 124.556 122.820 -0.465 0.000 2.356 98 A HA 0.945 5.274 4.320 0.017 0.000 0.323 98 A C -1.419 175.756 177.584 -0.681 0.000 1.119 98 A CA -0.641 51.181 52.037 -0.357 0.000 0.790 98 A CB 0.690 19.569 19.000 -0.201 0.000 1.273 98 A HN 0.667 nan 8.150 nan 0.000 0.452 99 F N 0.568 120.427 119.950 -0.152 0.000 2.588 99 F HA 0.367 4.904 4.527 0.016 0.000 0.314 99 F C 0.108 175.828 175.800 -0.133 0.000 1.134 99 F CA -0.618 57.299 58.000 -0.138 0.000 0.961 99 F CB 2.326 41.232 39.000 -0.156 0.000 1.239 99 F HN 0.599 nan 8.300 nan 0.000 0.448 100 K N 3.469 123.896 120.400 0.046 0.000 2.237 100 K HA 0.775 5.105 4.320 0.017 0.000 0.270 100 K C -0.949 175.613 176.600 -0.063 0.000 1.015 100 K CA -0.585 55.686 56.287 -0.027 0.000 0.949 100 K CB 2.069 34.539 32.500 -0.049 0.000 0.976 100 K HN 0.724 nan 8.250 nan 0.000 0.472 101 I N 0.726 121.194 120.570 -0.171 0.000 2.731 101 I HA 0.173 4.353 4.170 0.017 0.000 0.289 101 I C -2.063 173.757 176.117 -0.495 0.000 1.399 101 I CA -0.489 60.609 61.300 -0.337 0.000 1.048 101 I CB 1.932 39.688 38.000 -0.407 0.000 1.345 101 I HN 0.801 nan 8.210 nan 0.000 0.425 102 N N 6.771 125.170 118.700 -0.502 0.000 2.399 102 N HA 0.544 5.294 4.740 0.017 0.000 0.280 102 N C -1.755 173.503 175.510 -0.420 0.000 1.008 102 N CA -0.520 52.304 53.050 -0.377 0.000 0.894 102 N CB 1.499 39.879 38.487 -0.178 0.000 1.273 102 N HN 0.234 nan 8.380 nan 0.000 0.486 103 F N 0.960 120.886 119.950 -0.041 0.000 2.415 103 F HA 0.215 4.752 4.527 0.016 0.000 0.348 103 F C 1.015 176.872 175.800 0.096 0.000 1.119 103 F CA -0.746 57.262 58.000 0.013 0.000 1.069 103 F CB 0.992 39.966 39.000 -0.044 0.000 1.124 103 F HN 0.283 nan 8.300 nan 0.000 0.472 104 E N 4.765 125.141 120.200 0.294 0.000 2.292 104 E HA -0.031 4.329 4.350 0.017 0.000 0.265 104 E C -1.091 175.752 176.600 0.404 0.000 1.093 104 E CA 0.288 56.839 56.400 0.252 0.000 0.922 104 E CB 0.531 30.336 29.700 0.175 0.000 1.001 104 E HN 0.648 nan 8.360 nan 0.000 0.444 105 W N 4.495 125.873 121.300 0.128 0.000 3.248 105 W HA 0.153 4.823 4.660 0.017 0.000 0.311 105 W C -1.703 174.904 176.519 0.147 0.000 1.258 105 W CA -0.556 56.865 57.345 0.127 0.000 1.191 105 W CB 1.615 31.154 29.460 0.131 0.000 1.389 105 W HN 0.565 nan 8.180 nan 0.000 0.561 106 D N 0.955 121.337 120.400 -0.030 0.000 2.677 106 D HA 0.170 4.820 4.640 0.017 0.000 0.298 106 D C -1.312 174.958 176.300 -0.050 0.000 1.250 106 D CA -0.489 53.536 54.000 0.042 0.000 0.888 106 D CB 0.721 41.536 40.800 0.025 0.000 1.397 106 D HN 0.086 nan 8.370 nan 0.000 0.461 107 D N -0.553 119.847 120.400 0.000 0.000 2.374 107 D HA 0.453 5.103 4.640 0.017 0.000 0.240 107 D C 0.948 177.224 176.300 -0.041 0.000 1.229 107 D CA 0.687 54.688 54.000 0.002 0.000 0.895 107 D CB 0.897 41.704 40.800 0.012 0.000 1.046 107 D HN 0.713 nan 8.370 nan 0.000 0.498 108 G N 1.381 110.140 108.800 -0.069 0.000 3.134 108 G HA2 -0.232 3.738 3.960 0.017 0.000 0.195 108 G HA3 -0.232 3.738 3.960 0.017 0.000 0.195 108 G C 1.283 176.077 174.900 -0.176 0.000 1.054 108 G CA -0.236 44.807 45.100 -0.094 0.000 0.828 108 G HN 0.395 nan 8.290 nan 0.000 0.462 109 S N 0.960 116.447 115.700 -0.356 0.000 2.522 109 S HA 0.421 4.900 4.470 0.017 0.000 0.227 109 S C 1.660 176.058 174.600 -0.337 0.000 0.986 109 S CA 1.702 59.511 58.200 -0.651 0.000 0.929 109 S CB -0.280 62.035 63.200 -1.476 0.000 0.769 109 S HN 2.142 nan 8.310 nan 0.000 0.529 110 G N 1.068 109.848 108.800 -0.033 0.000 2.593 110 G HA2 -0.245 3.725 3.960 0.017 0.000 0.237 110 G HA3 -0.245 3.725 3.960 0.017 0.000 0.237 110 G C -0.561 174.628 174.900 0.482 0.000 1.312 110 G CA -0.402 44.814 45.100 0.193 0.000 0.896 110 G HN 0.331 nan 8.290 nan 0.000 0.574 111 I N 2.587 123.377 120.570 0.366 0.000 2.354 111 I HA 0.424 4.604 4.170 0.017 0.000 0.292 111 I C -2.030 174.192 176.117 0.174 0.000 0.989 111 I CA -2.106 59.347 61.300 0.255 0.000 1.188 111 I CB 2.331 40.403 38.000 0.120 0.000 1.342 111 I HN 0.231 nan 8.210 nan 0.000 0.457 112 P HA 0.117 nan 4.420 nan 0.000 0.268 112 P C 0.474 177.772 177.300 -0.004 0.000 1.204 112 P CA 0.089 63.094 63.100 -0.159 0.000 0.768 112 P CB 0.777 32.158 31.700 -0.532 0.000 0.842 113 G N 0.994 109.853 108.800 0.099 0.000 3.215 113 G HA2 0.534 4.504 3.960 0.017 0.000 0.236 113 G HA3 0.534 4.504 3.960 0.017 0.000 0.236 113 G C -0.029 175.031 174.900 0.266 0.000 1.029 113 G CA 0.499 45.689 45.100 0.149 0.000 0.909 113 G HN 0.768 nan 8.290 nan 0.000 0.543 114 A N -0.339 122.608 122.820 0.212 0.000 2.564 114 A HA 0.835 5.165 4.320 0.017 0.000 0.291 114 A C -1.738 175.790 177.584 -0.092 0.000 1.102 114 A CA -0.764 51.290 52.037 0.030 0.000 0.660 114 A CB 0.907 19.655 19.000 -0.421 0.000 1.283 114 A HN 1.113 nan 8.150 nan 0.000 0.430 115 F N -1.989 117.675 119.950 -0.477 0.000 2.654 115 F HA 0.815 5.352 4.527 0.016 0.000 0.308 115 F C -1.904 173.608 175.800 -0.481 0.000 1.108 115 F CA -1.156 56.539 58.000 -0.508 0.000 0.957 115 F CB 0.877 39.555 39.000 -0.537 0.000 1.309 115 F HN 0.489 nan 8.300 nan 0.000 0.446 116 Y N 2.981 123.246 120.300 -0.058 0.000 2.361 116 Y HA 0.689 5.249 4.550 0.016 0.000 0.332 116 Y C -0.271 175.696 175.900 0.111 0.000 1.101 116 Y CA -1.199 56.846 58.100 -0.092 0.000 1.137 116 Y CB 1.773 40.169 38.460 -0.106 0.000 1.207 116 Y HN 0.777 nan 8.280 nan 0.000 0.463 117 I N 2.847 123.570 120.570 0.255 0.000 2.545 117 I HA 0.479 4.659 4.170 0.017 0.000 0.292 117 I C -1.388 174.759 176.117 0.050 0.000 1.040 117 I CA -0.760 60.668 61.300 0.213 0.000 1.068 117 I CB 1.336 39.532 38.000 0.327 0.000 1.251 117 I HN 0.552 nan 8.210 nan 0.000 0.424 118 K N 4.678 125.041 120.400 -0.061 0.000 2.397 118 K HA 0.373 4.703 4.320 0.017 0.000 0.253 118 K C -1.153 175.226 176.600 -0.368 0.000 0.932 118 K CA -0.812 55.304 56.287 -0.285 0.000 0.795 118 K CB 1.493 33.707 32.500 -0.477 0.000 1.159 118 K HN 0.419 nan 8.250 nan 0.000 0.424 119 N N 2.828 121.337 118.700 -0.319 0.000 2.444 119 N HA 0.236 4.986 4.740 0.017 0.000 0.262 119 N C -0.824 174.509 175.510 -0.294 0.000 0.974 119 N CA -0.478 52.506 53.050 -0.111 0.000 0.933 119 N CB 0.441 38.933 38.487 0.009 0.000 1.137 119 N HN 0.433 nan 8.380 nan 0.000 0.498 120 F N 2.108 122.137 119.950 0.132 0.000 2.664 120 F HA 0.305 4.842 4.527 0.016 0.000 0.303 120 F C 1.719 177.547 175.800 0.047 0.000 1.092 120 F CA -0.020 58.033 58.000 0.088 0.000 1.305 120 F CB 0.089 39.152 39.000 0.106 0.000 1.054 120 F HN 0.421 nan 8.300 nan 0.000 0.565 121 M N -0.835 118.865 119.600 0.166 0.000 2.447 121 M HA -0.072 4.418 4.480 0.017 0.000 0.264 121 M C 1.178 177.510 176.300 0.053 0.000 1.095 121 M CA 1.131 56.476 55.300 0.074 0.000 1.125 121 M CB 0.100 32.686 32.600 -0.024 0.000 1.389 121 M HN 0.223 nan 8.290 nan 0.000 0.459 122 Q N -2.216 117.615 119.800 0.052 0.000 7.327 122 Q HA -0.130 4.220 4.340 0.017 0.000 0.345 122 Q C 0.142 176.158 176.000 0.026 0.000 1.460 122 Q CA 1.476 57.297 55.803 0.031 0.000 0.500 122 Q CB -1.338 27.415 28.738 0.024 0.000 0.163 122 Q HN 0.399 nan 8.270 nan 0.000 0.836 123 T N 4.186 118.760 114.554 0.033 0.000 2.832 123 T HA 0.243 4.603 4.350 0.017 0.000 0.296 123 T C 0.225 174.962 174.700 0.062 0.000 0.968 123 T CA -0.255 61.874 62.100 0.048 0.000 1.107 123 T CB 0.902 69.820 68.868 0.084 0.000 0.916 123 T HN 0.191 nan 8.240 nan 0.000 0.517 124 E N 3.453 123.611 120.200 -0.069 0.000 2.390 124 E HA 0.292 4.651 4.350 0.017 0.000 0.261 124 E C -0.616 176.125 176.600 0.234 0.000 1.076 124 E CA -0.437 55.857 56.400 -0.177 0.000 0.905 124 E CB 0.497 29.689 29.700 -0.847 0.000 0.984 124 E HN 0.547 nan 8.360 nan 0.000 0.427 125 F N -0.809 119.294 119.950 0.254 0.000 2.629 125 F HA 0.629 5.165 4.527 0.016 0.000 0.316 125 F C -1.354 174.423 175.800 -0.039 0.000 1.081 125 F CA -1.989 56.138 58.000 0.212 0.000 0.954 125 F CB 0.993 40.139 39.000 0.244 0.000 1.337 125 F HN 0.299 nan 8.300 nan 0.000 0.474 126 F N 3.619 123.367 119.950 -0.338 0.000 2.371 126 F HA 0.580 5.118 4.527 0.019 0.000 0.363 126 F C -0.808 174.880 175.800 -0.186 0.000 1.122 126 F CA -1.115 56.416 58.000 -0.782 0.000 1.129 126 F CB 1.073 39.143 39.000 -1.550 0.000 1.173 126 F HN 0.611 nan 8.300 nan 0.000 0.489 127 L N 8.240 129.111 121.223 -0.587 0.000 2.325 127 L HA 0.287 4.637 4.340 0.017 0.000 0.284 127 L C -0.128 176.332 176.870 -0.683 0.000 1.089 127 L CA 0.225 54.837 54.840 -0.381 0.000 0.836 127 L CB 0.763 42.629 42.059 -0.321 0.000 1.184 127 L HN 0.660 nan 8.230 nan 0.000 0.444 128 V N 2.989 122.674 119.914 -0.382 0.000 2.341 128 V HA 0.186 4.316 4.120 0.017 0.000 0.240 128 V C 0.937 176.956 176.094 -0.125 0.000 1.035 128 V CA 1.270 63.432 62.300 -0.230 0.000 1.033 128 V CB -0.266 31.554 31.823 -0.005 0.000 0.678 128 V HN 0.930 nan 8.190 nan 0.000 0.464 129 S N -0.928 114.725 115.700 -0.078 0.000 2.615 129 S HA 0.699 5.179 4.470 0.017 0.000 0.269 129 S C -1.504 173.043 174.600 -0.087 0.000 1.161 129 S CA -0.653 57.542 58.200 -0.009 0.000 0.817 129 S CB 2.303 65.580 63.200 0.128 0.000 1.131 129 S HN 0.207 nan 8.310 nan 0.000 0.467 130 L N 1.019 122.181 121.223 -0.101 0.000 2.385 130 L HA 0.815 5.165 4.340 0.017 0.000 0.273 130 L C -0.978 175.761 176.870 -0.218 0.000 0.990 130 L CA 0.205 54.877 54.840 -0.281 0.000 0.821 130 L CB 2.123 43.729 42.059 -0.756 0.000 1.279 130 L HN 0.952 nan 8.230 nan 0.000 0.412 131 T N 5.908 120.307 114.554 -0.260 0.000 2.807 131 T HA 0.608 4.968 4.350 0.017 0.000 0.279 131 T C -0.610 174.038 174.700 -0.086 0.000 0.993 131 T CA -0.325 61.621 62.100 -0.256 0.000 0.970 131 T CB 1.095 69.780 68.868 -0.304 0.000 0.950 131 T HN 0.440 nan 8.240 nan 0.000 0.441 132 L N 3.760 124.980 121.223 -0.004 0.000 2.319 132 L HA 0.478 4.828 4.340 0.017 0.000 0.281 132 L C 0.097 176.972 176.870 0.009 0.000 1.005 132 L CA -0.830 54.009 54.840 -0.000 0.000 0.828 132 L CB 1.281 43.329 42.059 -0.018 0.000 1.227 132 L HN 0.574 nan 8.230 nan 0.000 0.415 133 E N 2.161 122.375 120.200 0.022 0.000 2.191 133 E HA 0.418 4.777 4.350 0.017 0.000 0.274 133 E C -1.212 175.432 176.600 0.073 0.000 0.948 133 E CA -0.670 55.757 56.400 0.045 0.000 0.802 133 E CB 2.855 32.579 29.700 0.040 0.000 1.137 133 E HN 0.440 nan 8.360 nan 0.000 0.397 134 D N 0.735 121.195 120.400 0.100 0.000 2.595 134 D HA 0.425 5.075 4.640 0.017 0.000 0.268 134 D C 0.104 176.534 176.300 0.216 0.000 1.181 134 D CA -0.600 53.476 54.000 0.127 0.000 1.085 134 D CB 1.376 42.241 40.800 0.107 0.000 1.186 134 D HN 0.414 nan 8.370 nan 0.000 0.621 135 I N -0.402 120.278 120.570 0.183 0.000 5.537 135 I HA 0.348 4.528 4.170 0.017 0.000 0.170 135 I C -1.845 174.311 176.117 0.065 0.000 1.303 135 I CA -1.196 60.142 61.300 0.064 0.000 1.660 135 I CB 0.045 37.865 38.000 -0.299 0.000 1.514 135 I HN 0.359 nan 8.210 nan 0.000 0.594 136 P HA -0.320 nan 4.420 nan 0.000 0.299 136 P C -0.716 176.604 177.300 0.033 0.000 1.967 136 P CA 1.329 64.461 63.100 0.053 0.000 1.763 136 P CB -0.225 31.538 31.700 0.104 0.000 0.242 137 N N -2.538 116.167 118.700 0.009 0.000 2.362 137 N HA -0.044 4.706 4.740 0.017 0.000 0.204 137 N C 0.319 175.791 175.510 -0.063 0.000 1.166 137 N CA 0.004 53.040 53.050 -0.022 0.000 0.831 137 N CB -0.411 38.052 38.487 -0.040 0.000 1.008 137 N HN 0.278 nan 8.380 nan 0.000 0.472 138 H N -0.028 119.055 119.070 0.021 0.000 2.767 138 H HA 0.211 4.777 4.556 0.017 0.000 0.316 138 H C 0.763 176.104 175.328 0.021 0.000 1.059 138 H CA 0.019 56.081 56.048 0.023 0.000 1.461 138 H CB 0.549 30.331 29.762 0.033 0.000 1.475 138 H HN 0.251 nan 8.280 nan 0.000 0.531 139 G N 2.771 111.707 108.800 0.228 0.000 2.653 139 G HA2 0.044 4.014 3.960 0.017 0.000 0.265 139 G HA3 0.044 4.014 3.960 0.017 0.000 0.265 139 G C -0.223 174.812 174.900 0.225 0.000 1.237 139 G CA -0.581 44.635 45.100 0.193 0.000 0.946 139 G HN 0.628 nan 8.290 nan 0.000 0.522 140 S N -0.954 114.818 115.700 0.120 0.000 2.552 140 S HA 0.129 4.609 4.470 0.017 0.000 0.289 140 S C 0.152 174.779 174.600 0.045 0.000 1.304 140 S CA 0.229 58.474 58.200 0.075 0.000 1.063 140 S CB 0.299 63.549 63.200 0.082 0.000 0.848 140 S HN 0.346 nan 8.310 nan 0.000 0.499 141 I N 2.514 123.076 120.570 -0.014 0.000 2.378 141 I HA 0.312 4.492 4.170 0.017 0.000 0.291 141 I C 0.010 176.096 176.117 -0.051 0.000 0.992 141 I CA -0.382 60.856 61.300 -0.104 0.000 1.154 141 I CB 1.334 39.200 38.000 -0.224 0.000 1.315 141 I HN 0.605 nan 8.210 nan 0.000 0.448 142 H N 5.301 124.274 119.070 -0.161 0.000 2.472 142 H HA 0.633 5.199 4.556 0.016 0.000 0.338 142 H C -1.439 173.760 175.328 -0.215 0.000 1.133 142 H CA -0.252 55.775 56.048 -0.035 0.000 1.216 142 H CB 1.104 30.856 29.762 -0.016 0.000 1.497 142 H HN 0.310 nan 8.280 nan 0.000 0.500 143 F N 3.100 123.116 119.950 0.111 0.000 2.518 143 F HA 0.355 4.892 4.527 0.016 0.000 0.323 143 F C -0.834 175.097 175.800 0.219 0.000 1.129 143 F CA -0.910 57.202 58.000 0.187 0.000 0.920 143 F CB 1.321 40.468 39.000 0.245 0.000 1.160 143 F HN 0.188 nan 8.300 nan 0.000 0.440 144 V N 2.929 123.066 119.914 0.371 0.000 2.347 144 V HA 0.195 4.325 4.120 0.017 0.000 0.280 144 V C -0.020 176.197 176.094 0.205 0.000 1.021 144 V CA -0.223 62.244 62.300 0.277 0.000 0.847 144 V CB 1.016 32.996 31.823 0.263 0.000 0.990 144 V HN 1.118 nan 8.190 nan 0.000 0.444 145 C N 2.268 121.590 119.300 0.037 0.000 2.469 145 C HA 0.147 4.617 4.460 0.017 0.000 0.309 145 C C 1.208 176.167 174.990 -0.053 0.000 1.385 145 C CA -0.478 58.467 59.018 -0.122 0.000 1.890 145 C CB -0.592 26.697 27.740 -0.752 0.000 2.245 145 C HN 0.945 nan 8.230 nan 0.000 0.530 146 N N 1.754 120.319 118.700 -0.225 0.000 2.686 146 N HA -0.161 4.589 4.740 0.017 0.000 0.261 146 N C -0.445 174.894 175.510 -0.285 0.000 1.001 146 N CA 1.265 54.134 53.050 -0.302 0.000 0.764 146 N CB -0.828 37.791 38.487 0.221 0.000 0.898 146 N HN 0.632 nan 8.380 nan 0.000 0.544 147 S N -0.708 114.632 115.700 -0.600 0.000 2.540 147 S HA 0.539 5.018 4.470 0.017 0.000 0.275 147 S C -0.990 173.472 174.600 -0.230 0.000 1.123 147 S CA -0.809 57.328 58.200 -0.105 0.000 0.907 147 S CB 0.728 64.093 63.200 0.274 0.000 1.081 147 S HN 0.304 nan 8.310 nan 0.000 0.476 148 W N 3.993 125.377 121.300 0.139 0.000 2.266 148 W HA 0.445 5.114 4.660 0.015 0.000 0.317 148 W C -0.377 176.166 176.519 0.040 0.000 1.310 148 W CA -0.380 57.045 57.345 0.133 0.000 1.207 148 W CB 0.383 30.022 29.460 0.299 0.000 1.199 148 W HN 0.391 nan 8.180 nan 0.000 0.544 149 I N 5.137 125.658 120.570 -0.082 0.000 2.306 149 I HA 0.161 4.341 4.170 0.017 0.000 0.288 149 I C -0.217 175.834 176.117 -0.110 0.000 1.036 149 I CA -0.830 60.358 61.300 -0.187 0.000 1.221 149 I CB -0.528 37.070 38.000 -0.670 0.000 1.385 149 I HN 0.260 nan 8.210 nan 0.000 0.472 150 Y N 3.605 123.992 120.300 0.144 0.000 2.289 150 Y HA 0.178 4.738 4.550 0.016 0.000 0.332 150 Y C 1.330 177.306 175.900 0.126 0.000 1.324 150 Y CA -0.351 57.863 58.100 0.190 0.000 1.478 150 Y CB 0.360 38.999 38.460 0.299 0.000 1.378 150 Y HN 0.516 nan 8.280 nan 0.000 0.558 151 N N 0.734 119.532 118.700 0.163 0.000 2.356 151 N HA -0.096 4.654 4.740 0.017 0.000 0.252 151 N C 0.646 176.167 175.510 0.019 0.000 1.241 151 N CA 0.574 53.642 53.050 0.030 0.000 0.861 151 N CB 0.955 39.427 38.487 -0.024 0.000 1.075 151 N HN 0.855 nan 8.380 nan 0.000 0.461 152 A N 4.618 127.411 122.820 -0.045 0.000 2.131 152 A HA -0.151 4.179 4.320 0.017 0.000 0.220 152 A C 2.002 179.568 177.584 -0.031 0.000 1.158 152 A CA 1.265 53.293 52.037 -0.015 0.000 0.665 152 A CB -0.149 18.715 19.000 -0.226 0.000 0.795 152 A HN 0.842 nan 8.150 nan 0.000 0.460 153 K N -0.482 119.858 120.400 -0.099 0.000 2.288 153 K HA 0.081 4.411 4.320 0.017 0.000 0.201 153 K C 1.322 177.741 176.600 -0.302 0.000 1.048 153 K CA 0.791 56.995 56.287 -0.140 0.000 0.956 153 K CB -0.228 32.202 32.500 -0.116 0.000 0.746 153 K HN 0.497 nan 8.250 nan 0.000 0.461 154 L N -0.132 120.758 121.223 -0.555 0.000 2.465 154 L HA -0.060 4.290 4.340 0.017 0.000 0.224 154 L C 1.332 177.569 176.870 -1.056 0.000 1.145 154 L CA 0.528 54.752 54.840 -1.025 0.000 0.834 154 L CB -0.176 40.928 42.059 -1.591 0.000 0.944 154 L HN 0.069 nan 8.230 nan 0.000 0.451 155 F N -0.364 119.523 119.950 -0.105 0.000 2.204 155 F HA 0.075 4.611 4.527 0.016 0.000 0.276 155 F C 1.961 177.756 175.800 -0.008 0.000 1.085 155 F CA 0.506 58.489 58.000 -0.028 0.000 1.160 155 F CB -0.231 38.757 39.000 -0.021 0.000 1.091 155 F HN -0.215 nan 8.300 nan 0.000 0.522 156 K N -1.490 118.989 120.400 0.132 0.000 3.045 156 K HA -0.143 4.186 4.320 0.017 0.000 0.443 156 K C -0.191 176.434 176.600 0.042 0.000 0.350 156 K CA 0.864 57.192 56.287 0.069 0.000 1.960 156 K CB -1.354 31.191 32.500 0.074 0.000 0.534 156 K HN 0.343 nan 8.250 nan 0.000 0.394 157 S N 1.121 116.856 115.700 0.057 0.000 2.521 157 S HA 0.603 5.083 4.470 0.017 0.000 0.295 157 S C -0.701 173.873 174.600 -0.043 0.000 1.098 157 S CA -0.936 57.246 58.200 -0.030 0.000 0.999 157 S CB 2.021 65.219 63.200 -0.002 0.000 1.034 157 S HN 0.171 nan 8.310 nan 0.000 0.483 158 D N 2.078 122.366 120.400 -0.186 0.000 2.378 158 D HA 0.131 4.781 4.640 0.017 0.000 0.238 158 D C 0.281 176.511 176.300 -0.116 0.000 1.180 158 D CA -0.003 53.892 54.000 -0.174 0.000 0.895 158 D CB 0.422 41.024 40.800 -0.330 0.000 1.192 158 D HN 0.398 nan 8.370 nan 0.000 0.438 159 R N 1.202 121.595 120.500 -0.179 0.000 2.421 159 R HA 0.231 4.581 4.340 0.017 0.000 0.305 159 R C -0.054 176.033 176.300 -0.355 0.000 1.039 159 R CA -0.099 55.805 56.100 -0.326 0.000 1.003 159 R CB -0.156 29.963 30.300 -0.302 0.000 0.959 159 R HN 0.475 nan 8.270 nan 0.000 0.427 160 I N 3.807 123.989 120.570 -0.647 0.000 2.441 160 I HA 0.410 4.590 4.170 0.017 0.000 0.295 160 I C -1.117 174.139 176.117 -1.434 0.000 0.994 160 I CA -0.687 60.084 61.300 -0.881 0.000 1.144 160 I CB 0.821 38.400 38.000 -0.702 0.000 1.314 160 I HN 0.325 nan 8.210 nan 0.000 0.445 161 F N 6.353 125.713 119.950 -0.984 0.000 2.556 161 F HA 0.518 5.055 4.527 0.016 0.000 0.314 161 F C -0.696 174.688 175.800 -0.694 0.000 1.106 161 F CA -0.482 57.041 58.000 -0.796 0.000 0.911 161 F CB 1.521 39.926 39.000 -0.992 0.000 1.190 161 F HN 0.155 nan 8.300 nan 0.000 0.448 162 F N 1.286 121.295 119.950 0.098 0.000 2.440 162 F HA 0.740 5.277 4.527 0.016 0.000 0.328 162 F C 0.658 176.596 175.800 0.231 0.000 1.070 162 F CA -0.977 57.119 58.000 0.160 0.000 1.011 162 F CB 1.045 40.071 39.000 0.043 0.000 1.226 162 F HN 0.584 nan 8.300 nan 0.000 0.491 163 A N 1.319 124.229 122.820 0.149 0.000 2.366 163 A HA 0.109 4.439 4.320 0.017 0.000 0.250 163 A C 1.441 178.943 177.584 -0.137 0.000 1.099 163 A CA -0.070 51.690 52.037 -0.463 0.000 0.794 163 A CB -0.207 18.360 19.000 -0.721 0.000 1.056 163 A HN 0.984 nan 8.150 nan 0.000 0.499 164 N N -0.850 117.725 118.700 -0.208 0.000 2.202 164 N HA -0.222 4.528 4.740 0.017 0.000 0.197 164 N C 0.001 175.401 175.510 -0.183 0.000 0.995 164 N CA 1.441 54.409 53.050 -0.136 0.000 0.894 164 N CB -0.118 38.279 38.487 -0.149 0.000 1.010 164 N HN 0.659 nan 8.380 nan 0.000 0.453 165 Q N 0.605 120.251 119.800 -0.256 0.000 2.286 165 Q HA 0.087 4.437 4.340 0.017 0.000 0.267 165 Q C -0.346 175.253 176.000 -0.669 0.000 1.028 165 Q CA 0.343 55.870 55.803 -0.461 0.000 0.901 165 Q CB 1.421 29.865 28.738 -0.489 0.000 1.183 165 Q HN -0.034 nan 8.270 nan 0.000 0.392 166 T N 2.991 117.216 114.554 -0.549 0.000 2.869 166 T HA 0.392 4.752 4.350 0.017 0.000 0.295 166 T C -1.344 172.999 174.700 -0.595 0.000 0.987 166 T CA -0.088 61.732 62.100 -0.465 0.000 1.109 166 T CB 0.213 68.881 68.868 -0.333 0.000 0.932 166 T HN 0.373 nan 8.240 nan 0.000 0.518 167 Y N 3.688 123.866 120.300 -0.205 0.000 2.396 167 Y HA 0.437 4.996 4.550 0.017 0.000 0.332 167 Y C 0.069 175.832 175.900 -0.228 0.000 1.034 167 Y CA -1.122 56.869 58.100 -0.182 0.000 1.057 167 Y CB 1.201 39.583 38.460 -0.131 0.000 1.220 167 Y HN 0.528 nan 8.280 nan 0.000 0.440 168 L N 4.904 126.092 121.223 -0.060 0.000 2.473 168 L HA 0.205 4.555 4.340 0.017 0.000 0.268 168 L C -1.474 175.425 176.870 0.048 0.000 1.215 168 L CA -1.599 53.197 54.840 -0.074 0.000 0.823 168 L CB 0.475 42.468 42.059 -0.109 0.000 1.099 168 L HN 0.454 nan 8.230 nan 0.000 0.483 169 P HA -0.081 nan 4.420 nan 0.000 0.251 169 P C 1.195 178.512 177.300 0.029 0.000 1.251 169 P CA 0.352 63.498 63.100 0.076 0.000 0.763 169 P CB 0.126 31.891 31.700 0.108 0.000 1.067 170 S N 1.212 116.920 115.700 0.014 0.000 2.535 170 S HA -0.205 4.275 4.470 0.017 0.000 0.259 170 S C 0.550 175.113 174.600 -0.062 0.000 0.977 170 S CA 0.537 58.725 58.200 -0.019 0.000 0.962 170 S CB -1.320 61.866 63.200 -0.024 0.000 0.742 170 S HN 0.405 nan 8.310 nan 0.000 0.530 171 E N -0.136 120.028 120.200 -0.061 0.000 2.106 171 E HA -0.232 4.128 4.350 0.017 0.000 0.175 171 E C 0.637 177.093 176.600 -0.241 0.000 1.448 171 E CA 0.573 56.910 56.400 -0.104 0.000 0.672 171 E CB -2.418 27.242 29.700 -0.066 0.000 1.057 171 E HN 0.382 nan 8.360 nan 0.000 0.321 172 T N 0.790 115.110 114.554 -0.390 0.000 2.544 172 T HA -0.131 4.229 4.350 0.017 0.000 0.264 172 T C -1.399 173.063 174.700 -0.397 0.000 1.096 172 T CA 1.586 63.421 62.100 -0.442 0.000 1.181 172 T CB -0.672 67.977 68.868 -0.365 0.000 0.864 172 T HN 0.315 nan 8.240 nan 0.000 0.415 173 P HA 0.113 nan 4.420 nan 0.000 0.260 173 P C 0.153 177.376 177.300 -0.128 0.000 1.172 173 P CA 0.340 63.291 63.100 -0.249 0.000 0.760 173 P CB 0.330 31.914 31.700 -0.193 0.000 0.773 174 A N 6.914 129.686 122.820 -0.080 0.000 1.892 174 A HA -0.152 4.178 4.320 0.017 0.000 0.218 174 A C -0.418 177.145 177.584 -0.035 0.000 1.188 174 A CA 1.836 53.840 52.037 -0.054 0.000 0.631 174 A CB -2.356 16.621 19.000 -0.038 0.000 0.822 174 A HN 0.469 nan 8.150 nan 0.000 0.447 175 P HA -0.019 nan 4.420 nan 0.000 0.239 175 P C 0.640 177.988 177.300 0.080 0.000 1.184 175 P CA 0.607 63.724 63.100 0.028 0.000 0.760 175 P CB 0.144 31.892 31.700 0.079 0.000 0.884 176 L N -2.432 118.850 121.223 0.099 0.000 2.731 176 L HA 0.115 4.465 4.340 0.017 0.000 0.240 176 L C 1.960 178.907 176.870 0.128 0.000 1.120 176 L CA 0.394 55.386 54.840 0.254 0.000 0.913 176 L CB -0.869 41.324 42.059 0.223 0.000 1.213 176 L HN -0.200 nan 8.230 nan 0.000 0.515 177 V N -0.084 119.827 119.914 -0.006 0.000 2.255 177 V HA -0.313 3.817 4.120 0.017 0.000 0.247 177 V C 2.454 178.537 176.094 -0.019 0.000 1.051 177 V CA 1.776 64.056 62.300 -0.034 0.000 1.018 177 V CB -0.274 31.515 31.823 -0.056 0.000 0.641 177 V HN 0.415 nan 8.190 nan 0.000 0.445 178 K N -1.381 118.968 120.400 -0.085 0.000 2.148 178 K HA -0.160 4.170 4.320 0.017 0.000 0.204 178 K C 2.095 178.698 176.600 0.004 0.000 1.050 178 K CA 1.475 57.705 56.287 -0.095 0.000 0.942 178 K CB -0.249 32.133 32.500 -0.197 0.000 0.724 178 K HN 0.484 nan 8.250 nan 0.000 0.446 179 Y N 0.900 121.258 120.300 0.097 0.000 2.293 179 Y HA -0.110 4.450 4.550 0.017 0.000 0.291 179 Y C 2.424 178.465 175.900 0.235 0.000 1.137 179 Y CA 0.860 59.051 58.100 0.153 0.000 1.202 179 Y CB -0.367 38.194 38.460 0.168 0.000 0.990 179 Y HN 0.025 nan 8.280 nan 0.000 0.537 180 R N 0.605 121.297 120.500 0.320 0.000 2.066 180 R HA -0.174 4.176 4.340 0.017 0.000 0.232 180 R C 1.918 178.267 176.300 0.082 0.000 1.131 180 R CA 1.926 58.079 56.100 0.088 0.000 0.955 180 R CB -0.113 30.134 30.300 -0.089 0.000 0.851 180 R HN 0.346 nan 8.270 nan 0.000 0.432 181 E N 0.100 120.346 120.200 0.077 0.000 2.047 181 E HA -0.231 4.129 4.350 0.017 0.000 0.191 181 E C 1.897 178.567 176.600 0.116 0.000 0.987 181 E CA 1.494 57.941 56.400 0.078 0.000 0.799 181 E CB -0.069 29.661 29.700 0.050 0.000 0.752 181 E HN 0.432 nan 8.360 nan 0.000 0.449 182 E N 0.868 121.135 120.200 0.112 0.000 2.118 182 E HA -0.292 4.068 4.350 0.017 0.000 0.195 182 E C 1.959 178.653 176.600 0.157 0.000 0.992 182 E CA 1.332 57.798 56.400 0.109 0.000 0.804 182 E CB 0.083 29.842 29.700 0.099 0.000 0.741 182 E HN 0.068 nan 8.360 nan 0.000 0.458 183 E N 0.257 120.553 120.200 0.161 0.000 2.072 183 E HA -0.163 4.197 4.350 0.017 0.000 0.191 183 E C 1.919 178.584 176.600 0.108 0.000 0.985 183 E CA 0.813 57.289 56.400 0.125 0.000 0.801 183 E CB -0.229 29.566 29.700 0.158 0.000 0.750 183 E HN 0.247 nan 8.360 nan 0.000 0.452 184 L N 0.320 121.608 121.223 0.108 0.000 2.056 184 L HA -0.091 4.259 4.340 0.017 0.000 0.207 184 L C 2.351 179.293 176.870 0.121 0.000 1.078 184 L CA 2.168 57.062 54.840 0.088 0.000 0.749 184 L CB -1.473 40.639 42.059 0.089 0.000 0.901 184 L HN 0.426 nan 8.230 nan 0.000 0.433 185 H N -0.459 118.647 119.070 0.061 0.000 2.352 185 H HA -0.162 4.404 4.556 0.017 0.000 0.299 185 H C 2.016 177.377 175.328 0.056 0.000 1.097 185 H CA 2.027 58.111 56.048 0.061 0.000 1.311 185 H CB 0.301 30.099 29.762 0.060 0.000 1.377 185 H HN 0.278 nan 8.280 nan 0.000 0.504 186 N N 0.117 118.968 118.700 0.252 0.000 2.142 186 N HA -0.111 4.638 4.740 0.017 0.000 0.186 186 N C 1.767 177.344 175.510 0.110 0.000 1.023 186 N CA 0.704 53.865 53.050 0.186 0.000 0.852 186 N CB -0.253 38.327 38.487 0.154 0.000 0.998 186 N HN 0.276 nan 8.380 nan 0.000 0.424 187 L N 1.401 122.686 121.223 0.102 0.000 2.083 187 L HA -0.044 4.306 4.340 0.017 0.000 0.209 187 L C 2.135 179.065 176.870 0.101 0.000 1.083 187 L CA 1.319 56.237 54.840 0.130 0.000 0.752 187 L CB -0.869 41.254 42.059 0.108 0.000 0.899 187 L HN 0.166 nan 8.230 nan 0.000 0.433 188 R N -0.846 119.661 120.500 0.011 0.000 2.090 188 R HA -0.020 4.330 4.340 0.017 0.000 0.228 188 R C 1.539 177.804 176.300 -0.059 0.000 1.110 188 R CA 0.844 56.916 56.100 -0.047 0.000 0.973 188 R CB -0.322 29.921 30.300 -0.095 0.000 0.869 188 R HN 0.484 nan 8.270 nan 0.000 0.440 189 G N 2.184 110.939 108.800 -0.076 0.000 2.186 189 G HA2 -0.427 3.543 3.960 0.017 0.000 0.266 189 G HA3 -0.427 3.543 3.960 0.017 0.000 0.266 189 G C 0.044 174.889 174.900 -0.092 0.000 0.982 189 G CA 0.894 45.956 45.100 -0.064 0.000 0.670 189 G HN 0.618 nan 8.290 nan 0.000 0.533 190 D N -2.254 118.069 120.400 -0.128 0.000 4.121 190 D HA 0.216 4.866 4.640 0.017 0.000 0.291 190 D C 0.982 177.246 176.300 -0.059 0.000 2.247 190 D CA 2.816 56.768 54.000 -0.080 0.000 1.125 190 D CB -1.062 39.696 40.800 -0.069 0.000 1.032 190 D HN 1.469 nan 8.370 nan 0.000 1.224 191 G N -0.777 107.993 108.800 -0.049 0.000 5.084 191 G HA2 0.543 4.513 3.960 0.017 0.000 0.241 191 G HA3 0.543 4.513 3.960 0.017 0.000 0.241 191 G C -0.289 174.582 174.900 -0.047 0.000 0.918 191 G CA 0.605 45.679 45.100 -0.044 0.000 0.754 191 G HN 0.938 nan 8.290 nan 0.000 0.478 192 T N -2.690 111.828 114.554 -0.059 0.000 2.883 192 T HA 0.878 5.237 4.350 0.017 0.000 0.296 192 T C 0.120 174.766 174.700 -0.090 0.000 1.117 192 T CA -0.316 61.748 62.100 -0.061 0.000 1.006 192 T CB 2.481 71.323 68.868 -0.044 0.000 1.191 192 T HN 1.808 nan 8.240 nan 0.000 0.508 193 G N 0.355 109.097 108.800 -0.096 0.000 2.697 193 G HA2 0.080 4.050 3.960 0.017 0.000 0.686 193 G HA3 0.080 4.050 3.960 0.017 0.000 0.686 193 G C -0.791 174.006 174.900 -0.172 0.000 1.179 193 G CA -0.534 44.493 45.100 -0.123 0.000 0.765 193 G HN 1.072 nan 8.290 nan 0.000 0.649 194 E N 0.758 120.850 120.200 -0.180 0.000 2.316 194 E HA 0.378 4.738 4.350 0.017 0.000 0.275 194 E C 0.599 176.979 176.600 -0.366 0.000 1.029 194 E CA -0.749 55.513 56.400 -0.229 0.000 0.871 194 E CB 0.433 30.029 29.700 -0.174 0.000 1.022 194 E HN 0.394 nan 8.360 nan 0.000 0.418 195 R N 3.734 123.920 120.500 -0.523 0.000 2.389 195 R HA 0.228 4.578 4.340 0.017 0.000 0.295 195 R C -0.172 175.646 176.300 -0.805 0.000 1.075 195 R CA -0.194 55.349 56.100 -0.928 0.000 1.005 195 R CB 0.727 30.067 30.300 -1.601 0.000 0.987 195 R HN 0.446 nan 8.270 nan 0.000 0.452 196 K N 1.806 121.690 120.400 -0.859 0.000 2.166 196 K HA 0.100 4.430 4.320 0.017 0.000 0.245 196 K C 1.033 177.245 176.600 -0.646 0.000 0.967 196 K CA -0.606 55.210 56.287 -0.784 0.000 0.863 196 K CB 1.529 33.255 32.500 -1.291 0.000 1.107 196 K HN 0.579 nan 8.250 nan 0.000 0.436 197 E N 1.941 121.871 120.200 -0.451 0.000 2.097 197 E HA -0.191 4.168 4.350 0.017 0.000 0.196 197 E C 0.918 177.311 176.600 -0.345 0.000 1.000 197 E CA 1.807 58.067 56.400 -0.234 0.000 0.804 197 E CB 0.012 29.670 29.700 -0.070 0.000 0.740 197 E HN 0.700 nan 8.360 nan 0.000 0.454 198 W N 1.109 122.154 121.300 -0.426 0.000 2.800 198 W HA 0.215 4.885 4.660 0.016 0.000 0.249 198 W C 0.148 176.522 176.519 -0.242 0.000 1.294 198 W CA -0.245 56.624 57.345 -0.793 0.000 1.402 198 W CB -0.671 28.293 29.460 -0.827 0.000 1.126 198 W HN -0.026 nan 8.180 nan 0.000 0.652 199 E N 1.240 121.289 120.200 -0.253 0.000 2.349 199 E HA 0.284 4.644 4.350 0.017 0.000 0.262 199 E C -0.300 176.343 176.600 0.071 0.000 1.088 199 E CA -0.413 55.957 56.400 -0.050 0.000 0.899 199 E CB 0.799 30.290 29.700 -0.348 0.000 1.044 199 E HN -0.127 nan 8.360 nan 0.000 0.420 200 R N 2.008 122.565 120.500 0.095 0.000 2.651 200 R HA 0.369 4.719 4.340 0.017 0.000 0.282 200 R C -0.974 175.361 176.300 0.057 0.000 1.565 200 R CA -0.137 55.996 56.100 0.057 0.000 1.661 200 R CB 0.145 30.525 30.300 0.134 0.000 1.189 200 R HN 0.345 nan 8.270 nan 0.000 0.621 201 I N 1.479 122.036 120.570 -0.023 0.000 2.468 201 I HA 0.284 4.463 4.170 0.017 0.000 0.285 201 I C -0.971 175.098 176.117 -0.080 0.000 1.039 201 I CA -0.710 60.596 61.300 0.009 0.000 1.074 201 I CB 1.416 39.394 38.000 -0.036 0.000 1.228 201 I HN 0.248 nan 8.210 nan 0.000 0.436 202 Y N 4.794 125.069 120.300 -0.042 0.000 2.328 202 Y HA 0.620 5.179 4.550 0.016 0.000 0.337 202 Y C 0.068 175.830 175.900 -0.230 0.000 1.008 202 Y CA -0.132 57.890 58.100 -0.131 0.000 1.129 202 Y CB 1.153 39.523 38.460 -0.151 0.000 1.185 202 Y HN 0.458 nan 8.280 nan 0.000 0.476 203 D N 0.733 121.015 120.400 -0.197 0.000 2.725 203 D HA 0.274 4.924 4.640 0.017 0.000 0.292 203 D C -1.774 174.265 176.300 -0.434 0.000 1.288 203 D CA -0.839 52.961 54.000 -0.334 0.000 0.784 203 D CB 1.132 41.862 40.800 -0.116 0.000 1.308 203 D HN 0.276 nan 8.370 nan 0.000 0.429 204 Y N 0.291 120.564 120.300 -0.045 0.000 2.457 204 Y HA 0.624 5.184 4.550 0.017 0.000 0.333 204 Y C 0.424 176.285 175.900 -0.064 0.000 1.119 204 Y CA -0.488 57.573 58.100 -0.065 0.000 1.143 204 Y CB 1.585 40.001 38.460 -0.073 0.000 1.230 204 Y HN 0.087 nan 8.280 nan 0.000 0.469 205 D N -0.430 120.028 120.400 0.097 0.000 2.639 205 D HA 0.485 5.135 4.640 0.017 0.000 0.271 205 D C -1.380 174.926 176.300 0.010 0.000 1.254 205 D CA -0.351 53.665 54.000 0.026 0.000 0.810 205 D CB 2.775 43.555 40.800 -0.033 0.000 1.351 205 D HN 0.266 nan 8.370 nan 0.000 0.427 206 V N 1.061 120.990 119.914 0.024 0.000 2.973 206 V HA 0.243 4.373 4.120 0.017 0.000 0.314 206 V C -0.028 176.095 176.094 0.047 0.000 1.066 206 V CA -0.493 61.860 62.300 0.087 0.000 1.021 206 V CB 0.894 32.778 31.823 0.102 0.000 1.076 206 V HN 0.478 nan 8.190 nan 0.000 0.462 207 Y N 2.608 122.920 120.300 0.020 0.000 2.603 207 Y HA 0.107 4.667 4.550 0.016 0.000 0.341 207 Y C 1.417 177.297 175.900 -0.034 0.000 1.272 207 Y CA -0.060 58.032 58.100 -0.015 0.000 1.891 207 Y CB -0.746 37.686 38.460 -0.047 0.000 1.910 207 Y HN 0.730 nan 8.280 nan 0.000 0.432 208 N N -0.982 117.750 118.700 0.053 0.000 2.320 208 N HA 0.006 4.755 4.740 0.017 0.000 0.237 208 N C -0.206 175.310 175.510 0.010 0.000 1.129 208 N CA -0.030 53.040 53.050 0.033 0.000 0.854 208 N CB 0.322 38.823 38.487 0.023 0.000 1.083 208 N HN 0.327 nan 8.380 nan 0.000 0.504 209 D N -0.638 119.765 120.400 0.005 0.000 2.540 209 D HA 0.019 4.669 4.640 0.017 0.000 0.229 209 D C 1.020 177.322 176.300 0.003 0.000 1.250 209 D CA -0.305 53.689 54.000 -0.009 0.000 0.817 209 D CB 0.026 40.802 40.800 -0.041 0.000 1.060 209 D HN 0.103 nan 8.370 nan 0.000 0.508 210 L N 1.037 122.272 121.223 0.020 0.000 2.307 210 L HA 0.347 4.697 4.340 0.017 0.000 0.211 210 L C 1.529 178.403 176.870 0.006 0.000 1.099 210 L CA 0.535 55.385 54.840 0.017 0.000 0.816 210 L CB -0.738 41.331 42.059 0.017 0.000 0.952 210 L HN 0.112 nan 8.230 nan 0.000 0.455 211 G N -1.350 107.455 108.800 0.008 0.000 2.562 211 G HA2 0.277 4.247 3.960 0.017 0.000 0.275 211 G HA3 0.277 4.247 3.960 0.017 0.000 0.275 211 G C -0.855 174.066 174.900 0.036 0.000 1.196 211 G CA -0.130 44.983 45.100 0.022 0.000 0.908 211 G HN 0.084 nan 8.290 nan 0.000 0.524 212 D N -0.041 120.401 120.400 0.069 0.000 2.613 212 D HA 0.277 4.927 4.640 0.017 0.000 0.312 212 D C -1.485 174.822 176.300 0.011 0.000 1.202 212 D CA -1.576 52.444 54.000 0.034 0.000 0.825 212 D CB 1.480 42.301 40.800 0.035 0.000 1.113 212 D HN 0.078 nan 8.370 nan 0.000 0.502 213 P HA -0.032 nan 4.420 nan 0.000 0.225 213 P C 0.797 178.081 177.300 -0.027 0.000 1.156 213 P CA 0.534 63.639 63.100 0.007 0.000 0.787 213 P CB 0.771 32.483 31.700 0.020 0.000 0.802 214 D N 0.756 121.134 120.400 -0.037 0.000 2.149 214 D HA -0.147 4.503 4.640 0.017 0.000 0.198 214 D C 1.740 177.988 176.300 -0.087 0.000 0.990 214 D CA 1.299 55.270 54.000 -0.049 0.000 0.839 214 D CB -0.534 40.241 40.800 -0.040 0.000 0.948 214 D HN 0.190 nan 8.370 nan 0.000 0.460 215 K N -0.490 119.820 120.400 -0.149 0.000 2.555 215 K HA 0.219 4.549 4.320 0.017 0.000 0.193 215 K C 0.275 176.691 176.600 -0.307 0.000 1.032 215 K CA 0.325 56.453 56.287 -0.266 0.000 1.004 215 K CB 0.308 32.521 32.500 -0.478 0.000 0.804 215 K HN 0.217 nan 8.250 nan 0.000 0.496 216 G N 0.027 108.728 108.800 -0.165 0.000 2.348 216 G HA2 -0.115 3.855 3.960 0.017 0.000 0.606 216 G HA3 -0.115 3.855 3.960 0.017 0.000 0.606 216 G C -0.647 174.279 174.900 0.044 0.000 1.466 216 G CA -0.866 44.198 45.100 -0.060 0.000 0.950 216 G HN 0.053 nan 8.290 nan 0.000 0.657 217 E N -0.179 120.061 120.200 0.066 0.000 2.502 217 E HA 0.052 4.412 4.350 0.017 0.000 0.194 217 E C 2.066 178.724 176.600 0.098 0.000 1.062 217 E CA 0.356 56.800 56.400 0.073 0.000 0.867 217 E CB 0.140 29.868 29.700 0.046 0.000 0.888 217 E HN 0.380 nan 8.360 nan 0.000 0.510 218 N N -0.163 118.630 118.700 0.155 0.000 2.381 218 N HA -0.116 4.634 4.740 0.017 0.000 0.182 218 N C 0.720 176.247 175.510 0.029 0.000 1.025 218 N CA 1.025 54.138 53.050 0.105 0.000 0.888 218 N CB 0.113 38.691 38.487 0.151 0.000 0.965 218 N HN 0.437 nan 8.380 nan 0.000 0.438 219 H N -1.453 117.605 119.070 -0.021 0.000 2.586 219 H HA 0.331 4.897 4.556 0.016 0.000 0.273 219 H C 0.289 175.602 175.328 -0.026 0.000 0.997 219 H CA -0.197 55.835 56.048 -0.027 0.000 1.177 219 H CB 0.619 30.367 29.762 -0.022 0.000 1.471 219 H HN 0.110 nan 8.280 nan 0.000 0.538 220 A N 1.863 124.742 122.820 0.099 0.000 2.445 220 A HA 0.368 4.698 4.320 0.017 0.000 0.242 220 A C 0.341 177.936 177.584 0.018 0.000 1.075 220 A CA 0.176 52.245 52.037 0.053 0.000 0.777 220 A CB 0.324 19.354 19.000 0.050 0.000 1.013 220 A HN 0.358 nan 8.150 nan 0.000 0.493 221 R N 0.926 121.430 120.500 0.007 0.000 2.771 221 R HA 0.574 4.924 4.340 0.017 0.000 0.274 221 R C -2.719 173.576 176.300 -0.008 0.000 0.987 221 R CA -1.467 54.617 56.100 -0.027 0.000 0.908 221 R CB 1.929 32.189 30.300 -0.067 0.000 1.213 221 R HN 0.667 nan 8.270 nan 0.000 0.468 222 P HA 0.066 nan 4.420 nan 0.000 0.277 222 P C -0.668 176.639 177.300 0.013 0.000 1.240 222 P CA -0.462 62.664 63.100 0.043 0.000 0.798 222 P CB 1.066 32.851 31.700 0.141 0.000 0.979 223 V N 3.382 123.349 119.914 0.089 0.000 2.614 223 V HA 0.188 4.318 4.120 0.017 0.000 0.291 223 V C -0.770 175.386 176.094 0.104 0.000 1.049 223 V CA -0.207 62.141 62.300 0.079 0.000 1.038 223 V CB 0.014 31.885 31.823 0.081 0.000 0.980 223 V HN 0.228 nan 8.190 nan 0.000 0.481 224 L N 7.153 128.404 121.223 0.046 0.000 2.319 224 L HA 0.977 5.327 4.340 0.017 0.000 0.281 224 L C 0.424 177.378 176.870 0.140 0.000 1.005 224 L CA 0.644 55.477 54.840 -0.013 0.000 0.828 224 L CB 0.370 42.139 42.059 -0.483 0.000 1.227 224 L HN 1.294 nan 8.230 nan 0.000 0.415 225 G N 1.675 110.596 108.800 0.201 0.000 2.587 225 G HA2 0.455 4.424 3.960 0.017 0.000 0.686 225 G HA3 0.455 4.424 3.960 0.017 0.000 0.686 225 G C 0.330 175.326 174.900 0.159 0.000 1.236 225 G CA -0.305 44.925 45.100 0.217 0.000 0.820 225 G HN 1.308 nan 8.290 nan 0.000 0.645 226 G N -0.853 108.030 108.800 0.137 0.000 2.162 226 G HA2 0.091 4.061 3.960 0.017 0.000 0.260 226 G HA3 0.091 4.061 3.960 0.017 0.000 0.260 226 G C 0.259 175.210 174.900 0.085 0.000 0.976 226 G CA 1.338 46.493 45.100 0.092 0.000 0.655 226 G HN 2.669 nan 8.290 nan 0.000 0.533 227 N N -1.882 116.882 118.700 0.106 0.000 2.610 227 N HA 0.545 5.295 4.740 0.017 0.000 0.264 227 N C -0.091 175.470 175.510 0.086 0.000 1.348 227 N CA -0.454 52.643 53.050 0.078 0.000 0.819 227 N CB 0.725 39.249 38.487 0.062 0.000 1.521 227 N HN -0.166 nan 8.380 nan 0.000 0.497 228 D N -0.690 119.736 120.400 0.044 0.000 2.348 228 D HA 0.020 4.670 4.640 0.017 0.000 0.211 228 D C 0.502 176.805 176.300 0.005 0.000 0.998 228 D CA 0.885 54.912 54.000 0.044 0.000 0.873 228 D CB 0.268 41.086 40.800 0.031 0.000 0.925 228 D HN 0.621 nan 8.370 nan 0.000 0.524 229 T N 0.172 114.673 114.554 -0.088 0.000 2.770 229 T HA -0.030 4.330 4.350 0.017 0.000 0.258 229 T C 0.596 175.142 174.700 -0.255 0.000 1.039 229 T CA 0.647 62.583 62.100 -0.274 0.000 1.143 229 T CB 0.087 68.619 68.868 -0.560 0.000 0.866 229 T HN -0.004 nan 8.240 nan 0.000 0.428 230 F N 2.685 122.692 119.950 0.096 0.000 2.438 230 F HA 0.380 4.918 4.527 0.017 0.000 0.315 230 F C -2.477 173.411 175.800 0.148 0.000 1.258 230 F CA -3.846 54.210 58.000 0.092 0.000 1.180 230 F CB 0.267 39.273 39.000 0.010 0.000 1.412 230 F HN -0.048 nan 8.300 nan 0.000 0.544 231 P HA 0.146 nan 4.420 nan 0.000 0.272 231 P C -0.999 176.626 177.300 0.542 0.000 1.223 231 P CA 0.158 63.523 63.100 0.441 0.000 0.784 231 P CB 1.583 33.573 31.700 0.484 0.000 0.923 232 Y N 0.450 120.788 120.300 0.062 0.000 2.662 232 Y HA 0.314 4.873 4.550 0.016 0.000 0.334 232 Y C -2.600 173.032 175.900 -0.448 0.000 1.185 232 Y CA -2.028 55.769 58.100 -0.506 0.000 1.074 232 Y CB 1.346 39.633 38.460 -0.288 0.000 1.330 232 Y HN 0.252 nan 8.280 nan 0.000 0.458 233 P HA 0.282 nan 4.420 nan 0.000 0.272 233 P C -0.637 176.603 177.300 -0.100 0.000 1.240 233 P CA -0.316 62.481 63.100 -0.506 0.000 0.791 233 P CB 0.612 31.894 31.700 -0.698 0.000 0.978 234 R N 1.344 121.794 120.500 -0.084 0.000 2.583 234 R HA 0.457 4.807 4.340 0.017 0.000 0.268 234 R C 0.729 177.062 176.300 0.054 0.000 1.101 234 R CA -0.289 55.849 56.100 0.064 0.000 1.180 234 R CB 0.301 30.657 30.300 0.095 0.000 1.128 234 R HN 0.630 nan 8.270 nan 0.000 0.568 235 R N -1.376 119.090 120.500 -0.057 0.000 2.950 235 R HA 0.563 4.913 4.340 0.017 0.000 0.253 235 R C -0.116 176.096 176.300 -0.146 0.000 1.168 235 R CA -0.811 55.180 56.100 -0.181 0.000 1.014 235 R CB -0.429 29.540 30.300 -0.551 0.000 1.228 235 R HN 0.597 nan 8.270 nan 0.000 0.487 236 G N 0.606 109.309 108.800 -0.162 0.000 2.343 236 G HA2 0.186 4.156 3.960 0.017 0.000 0.254 236 G HA3 0.186 4.156 3.960 0.017 0.000 0.254 236 G C -0.590 174.245 174.900 -0.109 0.000 1.277 236 G CA -0.470 44.540 45.100 -0.149 0.000 0.909 236 G HN 0.542 nan 8.290 nan 0.000 0.502 237 R N 1.417 121.867 120.500 -0.084 0.000 2.491 237 R HA 0.310 4.660 4.340 0.017 0.000 0.283 237 R C -0.397 175.915 176.300 0.020 0.000 1.072 237 R CA 0.059 56.129 56.100 -0.050 0.000 1.048 237 R CB 0.513 30.778 30.300 -0.058 0.000 0.983 237 R HN 0.402 nan 8.270 nan 0.000 0.450 238 T N 2.110 116.655 114.554 -0.015 0.000 2.824 238 T HA 0.444 4.804 4.350 0.017 0.000 0.282 238 T C -0.168 174.463 174.700 -0.115 0.000 0.993 238 T CA -0.526 61.574 62.100 -0.001 0.000 0.967 238 T CB 1.407 70.285 68.868 0.017 0.000 0.960 238 T HN 0.726 nan 8.240 nan 0.000 0.441 239 G N 4.002 112.683 108.800 -0.198 0.000 4.699 239 G HA2 0.310 4.280 3.960 0.017 0.000 0.308 239 G HA3 0.310 4.280 3.960 0.017 0.000 0.308 239 G C 0.318 175.146 174.900 -0.119 0.000 1.399 239 G CA -0.455 44.556 45.100 -0.148 0.000 1.221 239 G HN 0.574 nan 8.290 nan 0.000 0.596 240 R N 0.380 120.823 120.500 -0.095 0.000 2.652 240 R HA 0.312 4.662 4.340 0.017 0.000 0.271 240 R C 0.689 176.952 176.300 -0.062 0.000 1.129 240 R CA -0.444 55.609 56.100 -0.078 0.000 1.200 240 R CB 0.787 31.049 30.300 -0.063 0.000 1.146 240 R HN 0.438 nan 8.270 nan 0.000 0.581 241 K N 1.748 122.117 120.400 -0.052 0.000 2.154 241 K HA 0.270 4.600 4.320 0.017 0.000 0.264 241 K C -2.369 174.211 176.600 -0.034 0.000 1.008 241 K CA -1.667 54.595 56.287 -0.042 0.000 0.937 241 K CB 0.882 33.360 32.500 -0.037 0.000 1.002 241 K HN 0.242 nan 8.250 nan 0.000 0.469 242 P HA -0.016 nan 4.420 nan 0.000 0.276 242 P C -0.310 176.979 177.300 -0.018 0.000 1.230 242 P CA -0.143 62.945 63.100 -0.021 0.000 0.776 242 P CB 0.770 32.460 31.700 -0.017 0.000 0.888 243 T N 3.558 118.102 114.554 -0.016 0.000 2.902 243 T HA -0.096 4.264 4.350 0.017 0.000 0.317 243 T C 1.859 176.551 174.700 -0.013 0.000 1.064 243 T CA 0.158 62.250 62.100 -0.014 0.000 1.130 243 T CB 0.151 69.014 68.868 -0.009 0.000 1.073 243 T HN 0.336 nan 8.240 nan 0.000 0.524 244 R N 2.995 123.486 120.500 -0.014 0.000 2.062 244 R HA 0.030 4.380 4.340 0.017 0.000 0.229 244 R C 2.356 178.650 176.300 -0.009 0.000 1.128 244 R CA 1.373 57.465 56.100 -0.013 0.000 0.960 244 R CB -0.290 30.001 30.300 -0.015 0.000 0.855 244 R HN 0.619 nan 8.270 nan 0.000 0.432 245 K N 0.299 120.694 120.400 -0.009 0.000 2.288 245 K HA -0.072 4.258 4.320 0.017 0.000 0.201 245 K C -0.173 176.428 176.600 0.002 0.000 1.048 245 K CA 0.680 56.965 56.287 -0.004 0.000 0.956 245 K CB 0.090 32.587 32.500 -0.005 0.000 0.746 245 K HN 0.040 nan 8.250 nan 0.000 0.461 246 D N -0.680 119.721 120.400 0.002 0.000 2.763 246 D HA 0.090 4.740 4.640 0.017 0.000 0.235 246 D C -2.322 173.980 176.300 0.004 0.000 1.334 246 D CA -1.923 52.081 54.000 0.007 0.000 0.950 246 D CB 1.888 42.696 40.800 0.013 0.000 1.433 246 D HN -0.210 nan 8.370 nan 0.000 0.580 247 P HA 0.062 nan 4.420 nan 0.000 0.245 247 P C -0.175 177.127 177.300 0.003 0.000 1.212 247 P CA 0.291 63.391 63.100 0.000 0.000 0.774 247 P CB 0.331 32.031 31.700 -0.000 0.000 0.999 248 N N -1.187 117.519 118.700 0.009 0.000 2.236 248 N HA 0.054 4.804 4.740 0.017 0.000 0.196 248 N C 0.301 175.819 175.510 0.013 0.000 1.114 248 N CA 0.153 53.211 53.050 0.013 0.000 0.859 248 N CB 0.107 38.607 38.487 0.022 0.000 0.982 248 N HN -0.037 nan 8.380 nan 0.000 0.493 249 S N 0.135 115.841 115.700 0.009 0.000 2.651 249 S HA 0.266 4.746 4.470 0.017 0.000 0.291 249 S C -0.303 174.294 174.600 -0.005 0.000 1.141 249 S CA -0.798 57.405 58.200 0.006 0.000 1.027 249 S CB 2.017 65.223 63.200 0.009 0.000 1.043 249 S HN 0.229 nan 8.310 nan 0.000 0.530 250 E N 1.289 121.482 120.200 -0.011 0.000 2.166 250 E HA 0.384 4.744 4.350 0.017 0.000 0.275 250 E C -0.677 175.910 176.600 -0.021 0.000 0.941 250 E CA -0.719 55.669 56.400 -0.021 0.000 0.784 250 E CB 0.795 30.476 29.700 -0.031 0.000 1.115 250 E HN 0.599 nan 8.360 nan 0.000 0.399 251 S N 3.818 119.504 115.700 -0.024 0.000 2.554 251 S HA 0.013 4.493 4.470 0.017 0.000 0.290 251 S C 0.340 174.925 174.600 -0.024 0.000 1.309 251 S CA -0.269 57.917 58.200 -0.024 0.000 1.047 251 S CB 0.374 63.557 63.200 -0.028 0.000 0.828 251 S HN 0.496 nan 8.310 nan 0.000 0.509 252 R N 0.859 121.347 120.500 -0.020 0.000 2.560 252 R HA 0.568 4.917 4.340 0.017 0.000 0.270 252 R C 0.070 176.357 176.300 -0.021 0.000 1.074 252 R CA -0.275 55.814 56.100 -0.019 0.000 1.140 252 R CB 0.975 31.267 30.300 -0.013 0.000 1.073 252 R HN 0.627 nan 8.270 nan 0.000 0.527 253 S N -0.445 115.243 115.700 -0.020 0.000 2.556 253 S HA 0.204 4.684 4.470 0.017 0.000 0.271 253 S C 0.110 174.700 174.600 -0.016 0.000 1.135 253 S CA -0.735 57.453 58.200 -0.019 0.000 0.858 253 S CB 1.395 64.581 63.200 -0.022 0.000 1.114 253 S HN 0.545 nan 8.310 nan 0.000 0.468 254 N N 1.585 120.276 118.700 -0.015 0.000 2.494 254 N HA 0.121 4.871 4.740 0.017 0.000 0.182 254 N C -0.773 174.730 175.510 -0.012 0.000 1.076 254 N CA 0.722 53.763 53.050 -0.015 0.000 0.908 254 N CB 0.149 38.627 38.487 -0.015 0.000 0.967 254 N HN 0.551 nan 8.380 nan 0.000 0.449 255 D N 0.553 120.948 120.400 -0.010 0.000 2.462 255 D HA 0.168 4.818 4.640 0.017 0.000 0.245 255 D C -0.469 175.829 176.300 -0.004 0.000 1.122 255 D CA -0.308 53.690 54.000 -0.004 0.000 0.864 255 D CB 2.420 43.219 40.800 -0.001 0.000 1.098 255 D HN -0.175 nan 8.370 nan 0.000 0.541 256 V N 1.428 121.340 119.914 -0.004 0.000 2.394 256 V HA 0.348 4.478 4.120 0.017 0.000 0.282 256 V C -0.111 175.985 176.094 0.003 0.000 1.031 256 V CA -0.999 61.299 62.300 -0.004 0.000 0.881 256 V CB 0.782 32.591 31.823 -0.022 0.000 0.982 256 V HN 0.405 nan 8.190 nan 0.000 0.451 257 Y N 6.798 127.030 120.300 -0.113 0.000 2.411 257 Y HA 0.622 5.182 4.550 0.017 0.000 0.333 257 Y C -0.248 175.565 175.900 -0.145 0.000 1.186 257 Y CA -0.331 57.681 58.100 -0.146 0.000 1.381 257 Y CB 0.902 39.250 38.460 -0.186 0.000 1.273 257 Y HN 0.831 nan 8.280 nan 0.000 0.546 258 L N 4.306 124.945 121.223 -0.973 0.000 2.424 258 L HA 0.713 5.063 4.340 0.017 0.000 0.258 258 L C -3.012 173.055 176.870 -1.339 0.000 0.995 258 L CA -2.865 51.302 54.840 -1.123 0.000 0.821 258 L CB 1.677 43.454 42.059 -0.470 0.000 1.383 258 L HN 0.355 nan 8.230 nan 0.000 0.410 259 P HA 0.103 nan 4.420 nan 0.000 0.265 259 P C -0.765 176.338 177.300 -0.328 0.000 1.193 259 P CA -0.130 62.555 63.100 -0.691 0.000 0.765 259 P CB 0.513 31.535 31.700 -1.130 0.000 0.823 260 R N 3.251 123.672 120.500 -0.131 0.000 2.774 260 R HA 0.126 4.475 4.340 0.017 0.000 0.269 260 R C 0.477 176.819 176.300 0.071 0.000 1.068 260 R CA 0.940 57.018 56.100 -0.036 0.000 1.180 260 R CB -0.589 29.754 30.300 0.072 0.000 1.077 260 R HN 0.547 nan 8.270 nan 0.000 0.513 261 D N -0.207 120.258 120.400 0.109 0.000 2.206 261 D HA -0.161 4.489 4.640 0.017 0.000 0.204 261 D C 0.637 176.988 176.300 0.085 0.000 1.368 261 D CA 1.740 55.869 54.000 0.215 0.000 1.622 261 D CB -0.943 40.046 40.800 0.315 0.000 1.406 261 D HN 0.703 nan 8.370 nan 0.000 0.592 262 E N 0.295 120.569 120.200 0.123 0.000 2.418 262 E HA 0.167 4.527 4.350 0.017 0.000 0.197 262 E C 0.750 177.480 176.600 0.216 0.000 1.026 262 E CA 0.945 57.481 56.400 0.227 0.000 0.862 262 E CB 0.000 29.781 29.700 0.134 0.000 0.799 262 E HN 0.498 nan 8.360 nan 0.000 0.518 263 A N 1.175 124.022 122.820 0.045 0.000 2.260 263 A HA 0.429 4.759 4.320 0.017 0.000 0.312 263 A C -0.609 176.968 177.584 -0.012 0.000 1.321 263 A CA -0.462 51.623 52.037 0.080 0.000 0.928 263 A CB -0.223 18.776 19.000 -0.002 0.000 1.158 263 A HN -0.100 nan 8.150 nan 0.000 0.542 264 F N 1.771 121.728 119.950 0.011 0.000 2.399 264 F HA 0.519 5.055 4.527 0.015 0.000 0.342 264 F C 1.237 176.856 175.800 -0.302 0.000 1.106 264 F CA 0.453 58.377 58.000 -0.126 0.000 1.196 264 F CB 1.518 40.406 39.000 -0.188 0.000 1.163 264 F HN 0.636 nan 8.300 nan 0.000 0.547 265 G N 1.163 109.794 108.800 -0.281 0.000 2.552 265 G HA2 0.554 4.524 3.960 0.017 0.000 0.318 265 G HA3 0.554 4.524 3.960 0.017 0.000 0.318 265 G C -1.308 173.094 174.900 -0.829 0.000 1.240 265 G CA -0.449 44.492 45.100 -0.266 0.000 1.002 265 G HN 0.646 nan 8.290 nan 0.000 0.493 266 H N -0.433 118.449 119.070 -0.313 0.000 2.996 266 H HA 0.211 4.778 4.556 0.019 0.000 0.368 266 H C 0.189 175.528 175.328 0.017 0.000 1.185 266 H CA -0.729 55.147 56.048 -0.287 0.000 1.160 266 H CB 2.088 31.456 29.762 -0.657 0.000 1.820 266 H HN 0.164 nan 8.280 nan 0.000 0.547 267 L N 0.441 121.744 121.223 0.134 0.000 2.270 267 L HA 0.093 4.443 4.340 0.017 0.000 0.210 267 L C 0.602 177.569 176.870 0.162 0.000 1.104 267 L CA 1.360 56.283 54.840 0.140 0.000 0.804 267 L CB -0.497 41.612 42.059 0.084 0.000 0.937 267 L HN 0.347 nan 8.230 nan 0.000 0.450 268 K N -0.010 120.485 120.400 0.158 0.000 2.182 268 K HA 0.236 4.566 4.320 0.017 0.000 0.262 268 K C 0.140 176.863 176.600 0.205 0.000 0.957 268 K CA -0.276 56.093 56.287 0.137 0.000 0.842 268 K CB 2.220 34.765 32.500 0.076 0.000 1.099 268 K HN -0.208 nan 8.250 nan 0.000 0.438 269 S N 1.635 117.439 115.700 0.173 0.000 2.516 269 S HA 0.057 4.537 4.470 0.017 0.000 0.282 269 S C 0.818 175.496 174.600 0.130 0.000 1.286 269 S CA 1.167 59.464 58.200 0.161 0.000 1.066 269 S CB 0.018 63.251 63.200 0.055 0.000 0.884 269 S HN 0.853 nan 8.310 nan 0.000 0.491 270 S N 3.321 119.112 115.700 0.152 0.000 1.302 270 S HA -0.117 4.363 4.470 0.017 0.000 0.251 270 S C 0.410 175.017 174.600 0.011 0.000 0.713 270 S CA 0.629 58.864 58.200 0.059 0.000 1.038 270 S CB -1.905 61.314 63.200 0.033 0.000 1.095 270 S HN 0.685 nan 8.310 nan 0.000 0.490 271 D N 0.374 120.750 120.400 -0.040 0.000 2.339 271 D HA 0.360 5.010 4.640 0.017 0.000 0.217 271 D C 0.056 175.987 176.300 -0.615 0.000 1.050 271 D CA 0.169 53.997 54.000 -0.288 0.000 0.856 271 D CB -0.169 40.437 40.800 -0.324 0.000 0.922 271 D HN 0.506 nan 8.370 nan 0.000 0.518 272 F N 1.260 121.026 119.950 -0.307 0.000 2.626 272 F HA 0.172 4.708 4.527 0.015 0.000 0.353 272 F C 1.594 177.390 175.800 -0.007 0.000 1.230 272 F CA -0.167 57.744 58.000 -0.149 0.000 1.298 272 F CB -0.117 38.853 39.000 -0.049 0.000 1.670 272 F HN -0.148 nan 8.300 nan 0.000 0.633 273 L N 0.158 121.410 121.223 0.050 0.000 2.141 273 L HA -0.182 4.168 4.340 0.017 0.000 0.209 273 L C 2.643 179.603 176.870 0.150 0.000 1.094 273 L CA 1.576 56.469 54.840 0.088 0.000 0.763 273 L CB -0.745 41.336 42.059 0.037 0.000 0.908 273 L HN 0.513 nan 8.230 nan 0.000 0.437 274 T N -3.752 110.920 114.554 0.196 0.000 2.962 274 T HA -0.237 4.122 4.350 0.017 0.000 0.270 274 T C 1.752 176.569 174.700 0.195 0.000 1.088 274 T CA 0.850 63.060 62.100 0.183 0.000 1.127 274 T CB -0.453 68.529 68.868 0.189 0.000 0.883 274 T HN 0.226 nan 8.240 nan 0.000 0.493 275 Y N 2.329 122.709 120.300 0.133 0.000 2.133 275 Y HA 0.142 4.699 4.550 0.012 0.000 0.287 275 Y C 2.818 178.751 175.900 0.055 0.000 1.134 275 Y CA 1.271 59.425 58.100 0.090 0.000 1.133 275 Y CB -0.962 37.551 38.460 0.089 0.000 0.987 275 Y HN 0.298 nan 8.280 nan 0.000 0.502 276 G N 0.219 109.144 108.800 0.209 0.000 2.476 276 G HA2 -0.270 3.700 3.960 0.017 0.000 0.218 276 G HA3 -0.270 3.700 3.960 0.017 0.000 0.218 276 G C 1.603 176.529 174.900 0.044 0.000 1.164 276 G CA 1.188 46.342 45.100 0.091 0.000 0.768 276 G HN 0.284 nan 8.290 nan 0.000 0.560 277 L N 0.939 122.193 121.223 0.051 0.000 1.989 277 L HA -0.062 4.288 4.340 0.017 0.000 0.211 277 L C 2.693 179.566 176.870 0.005 0.000 1.071 277 L CA 2.228 57.090 54.840 0.036 0.000 0.749 277 L CB -1.250 40.835 42.059 0.044 0.000 0.890 277 L HN 0.350 nan 8.230 nan 0.000 0.431 278 K N -0.421 119.960 120.400 -0.032 0.000 2.103 278 K HA -0.153 4.177 4.320 0.017 0.000 0.207 278 K C 1.930 178.473 176.600 -0.094 0.000 1.048 278 K CA 1.719 57.958 56.287 -0.081 0.000 0.930 278 K CB 0.100 32.508 32.500 -0.153 0.000 0.716 278 K HN 0.185 nan 8.250 nan 0.000 0.444 279 S N 0.032 115.672 115.700 -0.101 0.000 2.489 279 S HA -0.028 4.452 4.470 0.017 0.000 0.228 279 S C 1.696 176.303 174.600 0.011 0.000 0.995 279 S CA 0.555 58.719 58.200 -0.061 0.000 0.934 279 S CB 0.251 63.424 63.200 -0.046 0.000 0.771 279 S HN 0.104 nan 8.310 nan 0.000 0.522 280 V N 1.871 121.803 119.914 0.031 0.000 2.427 280 V HA -0.132 3.998 4.120 0.017 0.000 0.248 280 V C 2.654 178.770 176.094 0.036 0.000 1.051 280 V CA 2.038 64.379 62.300 0.068 0.000 1.048 280 V CB -0.485 31.391 31.823 0.088 0.000 0.666 280 V HN 0.680 nan 8.190 nan 0.000 0.456 281 S N -0.910 114.799 115.700 0.015 0.000 2.412 281 S HA -0.113 4.367 4.470 0.017 0.000 0.223 281 S C 1.842 176.445 174.600 0.004 0.000 1.048 281 S CA 0.655 58.860 58.200 0.009 0.000 0.954 281 S CB -0.278 62.925 63.200 0.004 0.000 0.840 281 S HN 0.603 nan 8.310 nan 0.000 0.503 282 Q N 0.500 120.291 119.800 -0.014 0.000 2.488 282 Q HA 0.179 4.529 4.340 0.017 0.000 0.211 282 Q C 1.066 177.061 176.000 -0.008 0.000 0.967 282 Q CA 0.735 56.526 55.803 -0.020 0.000 0.926 282 Q CB 0.040 28.748 28.738 -0.051 0.000 0.992 282 Q HN 0.640 nan 8.270 nan 0.000 0.506 283 N N -1.929 116.774 118.700 0.005 0.000 2.406 283 N HA -0.001 4.749 4.740 0.017 0.000 0.271 283 N C 1.353 176.884 175.510 0.036 0.000 0.917 283 N CA 0.362 53.423 53.050 0.019 0.000 0.905 283 N CB 0.516 39.013 38.487 0.016 0.000 1.767 283 N HN -0.076 nan 8.380 nan 0.000 0.863 284 V N 2.589 122.532 119.914 0.048 0.000 2.548 284 V HA -0.094 4.036 4.120 0.017 0.000 0.249 284 V C 2.395 178.501 176.094 0.021 0.000 1.055 284 V CA 1.027 63.358 62.300 0.052 0.000 1.065 284 V CB -0.344 31.540 31.823 0.101 0.000 0.681 284 V HN 0.159 nan 8.190 nan 0.000 0.462 285 L N 1.009 122.246 121.223 0.024 0.000 1.948 285 L HA -0.030 4.320 4.340 0.017 0.000 0.212 285 L C -0.133 176.791 176.870 0.090 0.000 1.074 285 L CA 2.336 57.201 54.840 0.042 0.000 0.753 285 L CB -1.606 40.479 42.059 0.043 0.000 0.888 285 L HN 0.211 nan 8.230 nan 0.000 0.432 286 P HA -0.188 nan 4.420 nan 0.000 0.217 286 P C 1.039 178.367 177.300 0.046 0.000 1.151 286 P CA 1.717 64.843 63.100 0.044 0.000 0.849 286 P CB -0.132 31.585 31.700 0.029 0.000 0.787 287 L N -2.239 119.014 121.223 0.049 0.000 2.912 287 L HA 0.208 4.557 4.340 0.017 0.000 0.240 287 L C 1.598 178.505 176.870 0.061 0.000 1.262 287 L CA 0.031 54.903 54.840 0.054 0.000 1.058 287 L CB -0.288 41.800 42.059 0.048 0.000 1.383 287 L HN -0.027 nan 8.230 nan 0.000 0.512 288 L N -1.478 119.785 121.223 0.067 0.000 2.653 288 L HA 0.112 4.462 4.340 0.017 0.000 0.230 288 L C 2.196 179.110 176.870 0.073 0.000 1.055 288 L CA 0.389 55.266 54.840 0.061 0.000 0.880 288 L CB 0.486 42.514 42.059 -0.051 0.000 1.195 288 L HN 0.279 nan 8.230 nan 0.000 0.492 289 Q N -0.149 119.688 119.800 0.062 0.000 2.096 289 Q HA -0.190 4.160 4.340 0.017 0.000 0.204 289 Q C 2.013 178.042 176.000 0.048 0.000 0.982 289 Q CA 2.033 57.780 55.803 -0.093 0.000 0.850 289 Q CB 0.024 28.668 28.738 -0.157 0.000 0.901 289 Q HN 0.296 nan 8.270 nan 0.000 0.422 290 S N -0.433 115.306 115.700 0.066 0.000 2.528 290 S HA -0.106 4.374 4.470 0.017 0.000 0.244 290 S C 1.235 175.905 174.600 0.117 0.000 0.982 290 S CA 0.827 59.072 58.200 0.074 0.000 0.953 290 S CB 0.012 63.257 63.200 0.076 0.000 0.754 290 S HN 0.455 nan 8.310 nan 0.000 0.529 291 A N -1.085 121.859 122.820 0.207 0.000 2.508 291 A HA 0.537 4.867 4.320 0.017 0.000 0.250 291 A C 0.864 178.611 177.584 0.271 0.000 1.208 291 A CA -0.222 51.967 52.037 0.252 0.000 0.960 291 A CB 0.196 19.438 19.000 0.403 0.000 1.099 291 A HN 0.328 nan 8.150 nan 0.000 0.542 292 F N 0.053 119.976 119.950 -0.044 0.000 2.464 292 F HA 0.194 4.729 4.527 0.014 0.000 0.223 292 F C 1.555 177.264 175.800 -0.152 0.000 1.089 292 F CA 0.163 58.103 58.000 -0.099 0.000 0.972 292 F CB -0.905 38.024 39.000 -0.118 0.000 1.155 292 F HN 0.035 nan 8.300 nan 0.000 0.665 293 D N 0.802 121.230 120.400 0.045 0.000 3.349 293 D HA -0.235 4.415 4.640 0.017 0.000 0.196 293 D C 1.687 177.948 176.300 -0.064 0.000 1.174 293 D CA 1.255 55.224 54.000 -0.052 0.000 0.955 293 D CB -0.308 40.439 40.800 -0.088 0.000 0.858 293 D HN 0.183 nan 8.370 nan 0.000 0.496 294 L N -0.991 120.189 121.223 -0.073 0.000 2.452 294 L HA 0.129 4.479 4.340 0.017 0.000 0.194 294 L C 0.901 177.620 176.870 -0.252 0.000 1.251 294 L CA 0.271 55.009 54.840 -0.171 0.000 2.559 294 L CB 0.414 42.331 42.059 -0.237 0.000 2.362 294 L HN -0.100 nan 8.230 nan 0.000 1.086 295 N N -1.639 116.809 118.700 -0.420 0.000 3.503 295 N HA -0.043 4.707 4.740 0.017 0.000 0.145 295 N C -0.064 175.184 175.510 -0.436 0.000 1.029 295 N CA 0.014 52.826 53.050 -0.396 0.000 2.824 295 N CB -0.457 37.856 38.487 -0.291 0.000 1.282 295 N HN 0.303 nan 8.380 nan 0.000 0.780 296 F N 0.266 120.184 119.950 -0.052 0.000 2.789 296 F HA 0.213 4.753 4.527 0.021 0.000 0.300 296 F C 1.327 177.076 175.800 -0.085 0.000 1.132 296 F CA 0.707 58.679 58.000 -0.047 0.000 1.404 296 F CB 0.791 39.786 39.000 -0.007 0.000 1.114 296 F HN -0.002 nan 8.300 nan 0.000 0.584 297 T N 0.520 115.036 114.554 -0.062 0.000 2.933 297 T HA 0.337 4.697 4.350 0.017 0.000 0.305 297 T C -2.741 171.753 174.700 -0.343 0.000 1.092 297 T CA -2.177 59.830 62.100 -0.156 0.000 1.008 297 T CB 1.398 70.198 68.868 -0.113 0.000 1.102 297 T HN -0.340 nan 8.240 nan 0.000 0.469 298 P HA 0.164 nan 4.420 nan 0.000 0.265 298 P C 0.395 177.417 177.300 -0.464 0.000 1.187 298 P CA -0.031 62.907 63.100 -0.269 0.000 0.766 298 P CB 0.588 32.195 31.700 -0.155 0.000 0.820 299 R N 0.510 120.781 120.500 -0.382 0.000 2.276 299 R HA -0.011 4.339 4.340 0.017 0.000 0.203 299 R C 0.358 176.525 176.300 -0.221 0.000 1.017 299 R CA 0.822 56.706 56.100 -0.360 0.000 1.010 299 R CB 0.286 30.475 30.300 -0.185 0.000 0.900 299 R HN 0.553 nan 8.270 nan 0.000 0.469 300 E N -1.250 118.812 120.200 -0.230 0.000 2.366 300 E HA 0.226 4.585 4.350 0.017 0.000 0.278 300 E C -1.422 175.073 176.600 -0.174 0.000 0.923 300 E CA -0.640 55.649 56.400 -0.186 0.000 0.761 300 E CB 0.917 30.579 29.700 -0.064 0.000 1.231 300 E HN -0.172 nan 8.360 nan 0.000 0.443 301 F N 2.008 121.965 119.950 0.013 0.000 2.471 301 F HA 0.180 4.715 4.527 0.014 0.000 0.353 301 F C 1.255 177.073 175.800 0.031 0.000 1.113 301 F CA 0.215 58.226 58.000 0.019 0.000 1.262 301 F CB 0.650 39.670 39.000 0.033 0.000 1.146 301 F HN 0.480 nan 8.300 nan 0.000 0.578 302 D N -0.531 120.006 120.400 0.227 0.000 2.479 302 D HA 0.065 4.715 4.640 0.017 0.000 0.216 302 D C 0.191 176.561 176.300 0.117 0.000 1.110 302 D CA 0.505 54.587 54.000 0.136 0.000 0.841 302 D CB 0.555 41.400 40.800 0.074 0.000 1.040 302 D HN 0.431 nan 8.370 nan 0.000 0.505 303 S N -1.072 114.710 115.700 0.136 0.000 2.651 303 S HA 0.355 4.835 4.470 0.017 0.000 0.279 303 S C 0.276 174.983 174.600 0.179 0.000 1.148 303 S CA -0.627 57.624 58.200 0.086 0.000 0.837 303 S CB 0.915 64.140 63.200 0.041 0.000 1.138 303 S HN -0.246 nan 8.310 nan 0.000 0.478 304 F N 1.571 121.491 119.950 -0.050 0.000 2.293 304 F HA 0.050 4.587 4.527 0.017 0.000 0.300 304 F C 1.666 177.354 175.800 -0.187 0.000 1.086 304 F CA 0.673 58.583 58.000 -0.151 0.000 1.375 304 F CB -1.519 37.432 39.000 -0.082 0.000 1.045 304 F HN 0.667 nan 8.300 nan 0.000 0.516 305 D N -0.112 120.376 120.400 0.147 0.000 2.149 305 D HA -0.182 4.468 4.640 0.017 0.000 0.198 305 D C 2.064 178.406 176.300 0.070 0.000 0.990 305 D CA 1.478 55.559 54.000 0.135 0.000 0.839 305 D CB -0.226 40.641 40.800 0.110 0.000 0.948 305 D HN 0.336 nan 8.370 nan 0.000 0.460 306 E N 0.173 120.398 120.200 0.042 0.000 2.072 306 E HA -0.130 4.229 4.350 0.017 0.000 0.191 306 E C 2.266 178.815 176.600 -0.085 0.000 0.985 306 E CA 0.640 57.073 56.400 0.054 0.000 0.801 306 E CB 0.076 29.886 29.700 0.182 0.000 0.750 306 E HN 0.126 nan 8.360 nan 0.000 0.452 307 V N 1.442 121.118 119.914 -0.397 0.000 2.287 307 V HA -0.277 3.852 4.120 0.017 0.000 0.248 307 V C 2.127 177.935 176.094 -0.477 0.000 1.053 307 V CA 1.964 63.817 62.300 -0.745 0.000 1.027 307 V CB -0.723 30.545 31.823 -0.925 0.000 0.646 307 V HN 0.340 nan 8.190 nan 0.000 0.447 308 H N 0.495 119.460 119.070 -0.175 0.000 2.456 308 H HA -0.048 4.517 4.556 0.015 0.000 0.296 308 H C 2.350 177.591 175.328 -0.146 0.000 1.079 308 H CA 1.328 57.350 56.048 -0.042 0.000 1.322 308 H CB -0.686 29.143 29.762 0.112 0.000 1.388 308 H HN 0.497 nan 8.280 nan 0.000 0.538 309 G N 0.242 109.029 108.800 -0.022 0.000 2.776 309 G HA2 -0.107 3.863 3.960 0.017 0.000 0.209 309 G HA3 -0.107 3.863 3.960 0.017 0.000 0.209 309 G C 1.553 176.393 174.900 -0.100 0.000 1.145 309 G CA -0.068 45.025 45.100 -0.012 0.000 0.791 309 G HN 0.200 nan 8.290 nan 0.000 0.530 310 L N -0.342 120.669 121.223 -0.352 0.000 2.291 310 L HA 0.168 4.518 4.340 0.017 0.000 0.214 310 L C 1.870 178.619 176.870 -0.202 0.000 1.120 310 L CA 0.898 55.555 54.840 -0.306 0.000 0.799 310 L CB -0.659 41.039 42.059 -0.601 0.000 0.925 310 L HN 0.487 nan 8.230 nan 0.000 0.446 311 Y N -3.410 117.014 120.300 0.206 0.000 2.458 311 Y HA 0.210 4.768 4.550 0.014 0.000 0.254 311 Y C 2.178 178.163 175.900 0.141 0.000 1.120 311 Y CA -0.022 58.196 58.100 0.197 0.000 1.282 311 Y CB 0.140 38.691 38.460 0.153 0.000 1.109 311 Y HN -0.032 nan 8.280 nan 0.000 0.526 312 S N -0.224 115.581 115.700 0.175 0.000 2.910 312 S HA 0.174 4.654 4.470 0.017 0.000 0.167 312 S C 2.043 176.699 174.600 0.094 0.000 0.681 312 S CA 0.428 58.706 58.200 0.130 0.000 0.828 312 S CB -0.622 62.644 63.200 0.109 0.000 0.739 312 S HN 0.397 nan 8.310 nan 0.000 0.611 313 G N 0.198 109.040 108.800 0.071 0.000 2.880 313 G HA2 0.456 4.426 3.960 0.017 0.000 0.209 313 G HA3 0.456 4.426 3.960 0.017 0.000 0.209 313 G C 0.740 175.674 174.900 0.056 0.000 1.157 313 G CA 0.480 45.614 45.100 0.057 0.000 0.779 313 G HN 1.005 nan 8.290 nan 0.000 0.539 314 G N 0.351 109.190 108.800 0.065 0.000 2.698 314 G HA2 -0.198 3.772 3.960 0.017 0.000 0.233 314 G HA3 -0.198 3.772 3.960 0.017 0.000 0.233 314 G C 0.183 175.126 174.900 0.072 0.000 1.352 314 G CA -0.156 44.990 45.100 0.077 0.000 0.879 314 G HN 1.061 nan 8.290 nan 0.000 0.567 315 I N -1.677 118.945 120.570 0.087 0.000 2.365 315 I HA 0.657 4.837 4.170 0.017 0.000 0.291 315 I C 0.175 176.320 176.117 0.046 0.000 1.004 315 I CA -1.002 60.346 61.300 0.080 0.000 1.311 315 I CB 1.257 39.327 38.000 0.117 0.000 1.401 315 I HN 0.415 nan 8.210 nan 0.000 0.491 316 K N 6.127 126.550 120.400 0.040 0.000 2.368 316 K HA 0.427 4.757 4.320 0.017 0.000 0.282 316 K C -0.492 176.126 176.600 0.030 0.000 1.035 316 K CA -0.196 56.103 56.287 0.020 0.000 0.973 316 K CB 0.684 33.192 32.500 0.014 0.000 0.957 316 K HN 0.430 nan 8.250 nan 0.000 0.474 317 L N 3.799 125.026 121.223 0.007 0.000 2.235 317 L HA 0.608 4.958 4.340 0.017 0.000 0.260 317 L C -2.349 174.477 176.870 -0.075 0.000 1.025 317 L CA -2.343 52.509 54.840 0.021 0.000 0.836 317 L CB 1.675 43.755 42.059 0.034 0.000 1.395 317 L HN 0.522 nan 8.230 nan 0.000 0.443 318 P HA 0.214 nan 4.420 nan 0.000 0.286 318 P C 0.204 177.429 177.300 -0.126 0.000 1.261 318 P CA -0.215 62.717 63.100 -0.281 0.000 0.821 318 P CB 1.026 32.478 31.700 -0.413 0.000 1.013 319 T N 0.333 114.810 114.554 -0.128 0.000 2.759 319 T HA -0.156 4.204 4.350 0.017 0.000 0.269 319 T C 1.330 176.010 174.700 -0.032 0.000 1.042 319 T CA 1.516 63.577 62.100 -0.065 0.000 1.140 319 T CB -0.767 68.065 68.868 -0.059 0.000 0.864 319 T HN 0.489 nan 8.240 nan 0.000 0.455 320 D N 0.501 120.884 120.400 -0.029 0.000 2.200 320 D HA -0.117 4.533 4.640 0.017 0.000 0.192 320 D C 1.536 177.849 176.300 0.020 0.000 1.008 320 D CA 1.020 55.023 54.000 0.006 0.000 0.872 320 D CB -0.064 40.755 40.800 0.031 0.000 0.923 320 D HN 0.240 nan 8.370 nan 0.000 0.447 321 I N -0.033 120.551 120.570 0.023 0.000 4.288 321 I HA 0.024 4.204 4.170 0.017 0.000 0.331 321 I C 1.289 177.421 176.117 0.026 0.000 1.322 321 I CA 0.021 61.343 61.300 0.038 0.000 1.149 321 I CB 0.166 38.208 38.000 0.069 0.000 1.112 321 I HN -0.098 nan 8.210 nan 0.000 0.403 322 I N 0.618 121.194 120.570 0.010 0.000 3.251 322 I HA -0.030 4.150 4.170 0.017 0.000 0.277 322 I C 2.361 178.489 176.117 0.018 0.000 1.268 322 I CA 0.969 62.273 61.300 0.006 0.000 1.449 322 I CB -0.771 37.224 38.000 -0.010 0.000 1.083 322 I HN 0.224 nan 8.210 nan 0.000 0.464 323 S N -0.243 115.467 115.700 0.017 0.000 2.470 323 S HA -0.019 4.461 4.470 0.017 0.000 0.222 323 S C 1.945 176.563 174.600 0.029 0.000 1.024 323 S CA 0.324 58.536 58.200 0.020 0.000 0.931 323 S CB 0.179 63.387 63.200 0.013 0.000 0.791 323 S HN 0.072 nan 8.310 nan 0.000 0.513 324 K N 2.087 122.506 120.400 0.033 0.000 2.228 324 K HA 0.206 4.536 4.320 0.017 0.000 0.202 324 K C 1.347 177.978 176.600 0.051 0.000 1.051 324 K CA 0.654 56.964 56.287 0.039 0.000 0.960 324 K CB -0.253 32.269 32.500 0.038 0.000 0.743 324 K HN 0.789 nan 8.250 nan 0.000 0.458 325 I N -2.142 118.462 120.570 0.057 0.000 3.266 325 I HA 0.300 4.480 4.170 0.017 0.000 0.346 325 I C 0.202 176.392 176.117 0.121 0.000 1.458 325 I CA -0.025 61.330 61.300 0.091 0.000 0.997 325 I CB 0.812 38.859 38.000 0.079 0.000 1.733 325 I HN -0.209 nan 8.210 nan 0.000 0.507 326 S N 1.869 117.623 115.700 0.090 0.000 2.761 326 S HA 0.308 4.788 4.470 0.017 0.000 0.273 326 S C -1.650 172.984 174.600 0.057 0.000 1.073 326 S CA 0.247 58.498 58.200 0.084 0.000 1.048 326 S CB 0.271 63.508 63.200 0.062 0.000 0.955 326 S HN 0.518 nan 8.310 nan 0.000 0.500 327 P HA 0.350 nan 4.420 nan 0.000 0.249 327 P C -0.858 176.466 177.300 0.040 0.000 1.583 327 P CA -0.002 63.120 63.100 0.037 0.000 0.988 327 P CB -0.336 31.383 31.700 0.031 0.000 1.530 328 L N -1.862 119.392 121.223 0.051 0.000 2.330 328 L HA 0.726 5.076 4.340 0.017 0.000 0.271 328 L C -2.683 174.220 176.870 0.056 0.000 1.013 328 L CA -3.218 51.657 54.840 0.059 0.000 0.816 328 L CB -0.821 41.280 42.059 0.070 0.000 1.287 328 L HN -0.330 nan 8.230 nan 0.000 0.435 329 P HA 0.099 nan 4.420 nan 0.000 0.264 329 P C 0.765 178.108 177.300 0.072 0.000 1.179 329 P CA 0.038 63.174 63.100 0.060 0.000 0.763 329 P CB 0.529 32.261 31.700 0.053 0.000 0.806 330 V N 0.405 120.341 119.914 0.038 0.000 0.595 330 V HA -0.319 3.811 4.120 0.017 0.000 0.063 330 V C 1.713 177.784 176.094 -0.039 0.000 2.679 330 V CA 2.168 64.487 62.300 0.032 0.000 3.697 330 V CB -2.101 29.782 31.823 0.101 0.000 1.169 330 V HN 0.483 nan 8.190 nan 0.000 1.121 331 L N 0.310 121.496 121.223 -0.062 0.000 2.554 331 L HA 0.085 4.435 4.340 0.017 0.000 0.226 331 L C 1.085 177.819 176.870 -0.226 0.000 1.137 331 L CA 1.179 55.897 54.840 -0.203 0.000 0.863 331 L CB -0.293 41.668 42.059 -0.162 0.000 0.985 331 L HN 0.463 nan 8.230 nan 0.000 0.451 332 K N 0.904 121.243 120.400 -0.101 0.000 2.267 332 K HA 0.325 4.655 4.320 0.017 0.000 0.282 332 K C 0.027 176.581 176.600 -0.076 0.000 1.078 332 K CA -0.187 56.059 56.287 -0.068 0.000 0.903 332 K CB 0.812 33.299 32.500 -0.021 0.000 1.111 332 K HN -0.043 nan 8.250 nan 0.000 0.475 333 E N 1.817 121.962 120.200 -0.092 0.000 3.496 333 E HA -0.125 4.235 4.350 0.017 0.000 0.355 333 E C -0.222 176.293 176.600 -0.141 0.000 0.811 333 E CA 0.429 56.779 56.400 -0.083 0.000 1.269 333 E CB -0.979 28.690 29.700 -0.052 0.000 1.591 333 E HN 0.818 nan 8.360 nan 0.000 0.380 334 I N -3.422 117.004 120.570 -0.240 0.000 4.787 334 I HA 0.357 4.537 4.170 0.017 0.000 0.309 334 I C -0.710 175.141 176.117 -0.442 0.000 1.169 334 I CA -0.150 60.918 61.300 -0.387 0.000 1.360 334 I CB 0.658 38.331 38.000 -0.544 0.000 1.591 334 I HN -0.061 nan 8.210 nan 0.000 0.480 335 F N 3.046 122.915 119.950 -0.135 0.000 2.492 335 F HA 0.680 5.204 4.527 -0.004 0.000 0.327 335 F C -0.086 175.636 175.800 -0.131 0.000 1.079 335 F CA -0.994 56.871 58.000 -0.223 0.000 0.967 335 F CB 1.167 40.001 39.000 -0.276 0.000 1.169 335 F HN -0.156 nan 8.300 nan 0.000 0.472 336 R N 0.969 121.514 120.500 0.076 0.000 2.255 336 R HA 0.555 4.905 4.340 0.017 0.000 0.326 336 R C -0.599 175.725 176.300 0.040 0.000 0.986 336 R CA -0.604 55.524 56.100 0.046 0.000 0.847 336 R CB 1.204 31.532 30.300 0.047 0.000 1.111 336 R HN 0.561 nan 8.270 nan 0.000 0.452 337 T N 1.371 115.948 114.554 0.037 0.000 2.899 337 T HA 0.172 4.532 4.350 0.017 0.000 0.284 337 T C -0.570 174.143 174.700 0.022 0.000 1.004 337 T CA -0.176 61.939 62.100 0.025 0.000 1.043 337 T CB 0.964 69.848 68.868 0.026 0.000 1.013 337 T HN 0.487 nan 8.240 nan 0.000 0.518 338 D N -0.254 120.156 120.400 0.017 0.000 2.478 338 D HA 0.503 5.153 4.640 0.017 0.000 0.240 338 D C 0.787 177.094 176.300 0.011 0.000 1.364 338 D CA 0.798 54.809 54.000 0.017 0.000 0.987 338 D CB 0.348 41.162 40.800 0.023 0.000 1.328 338 D HN 0.694 nan 8.370 nan 0.000 0.584 339 G N 3.275 112.081 108.800 0.010 0.000 2.815 339 G HA2 -0.388 3.582 3.960 0.017 0.000 0.326 339 G HA3 -0.388 3.582 3.960 0.017 0.000 0.326 339 G C 0.626 175.528 174.900 0.003 0.000 1.191 339 G CA 1.161 46.264 45.100 0.006 0.000 0.965 339 G HN 0.581 nan 8.290 nan 0.000 0.564 340 E N -1.621 118.578 120.200 -0.002 0.000 4.050 340 E HA 0.437 4.797 4.350 0.017 0.000 0.283 340 E C 2.226 178.820 176.600 -0.010 0.000 0.811 340 E CA 0.643 57.039 56.400 -0.007 0.000 1.609 340 E CB -0.495 29.197 29.700 -0.014 0.000 2.009 340 E HN 0.324 nan 8.360 nan 0.000 0.442 341 Q N -0.071 119.715 119.800 -0.022 0.000 2.263 341 Q HA -0.290 4.060 4.340 0.017 0.000 0.221 341 Q C 0.270 176.257 176.000 -0.021 0.000 1.071 341 Q CA 1.926 57.712 55.803 -0.029 0.000 0.966 341 Q CB -2.024 26.686 28.738 -0.047 0.000 1.094 341 Q HN 0.452 nan 8.270 nan 0.000 0.454 342 A N 0.780 123.592 122.820 -0.012 0.000 2.540 342 A HA 0.211 4.541 4.320 0.017 0.000 0.239 342 A C 0.230 177.791 177.584 -0.038 0.000 1.061 342 A CA 0.093 52.123 52.037 -0.012 0.000 0.758 342 A CB -0.049 18.954 19.000 0.006 0.000 0.991 342 A HN 0.378 nan 8.150 nan 0.000 0.502 343 L N 3.735 124.911 121.223 -0.078 0.000 2.494 343 L HA 0.206 4.556 4.340 0.017 0.000 0.251 343 L C 0.190 176.932 176.870 -0.213 0.000 1.119 343 L CA -0.389 54.325 54.840 -0.210 0.000 1.026 343 L CB -0.112 41.735 42.059 -0.353 0.000 1.370 343 L HN 0.670 nan 8.230 nan 0.000 0.426 344 K N 2.306 122.648 120.400 -0.098 0.000 2.380 344 K HA 0.190 4.520 4.320 0.017 0.000 0.267 344 K C -0.829 175.720 176.600 -0.085 0.000 0.990 344 K CA 0.345 56.628 56.287 -0.007 0.000 0.946 344 K CB 0.768 33.305 32.500 0.062 0.000 0.937 344 K HN 0.196 nan 8.250 nan 0.000 0.491 345 F N 1.822 121.904 119.950 0.220 0.000 2.538 345 F HA 0.315 4.863 4.527 0.036 0.000 0.325 345 F C -1.846 174.179 175.800 0.376 0.000 1.066 345 F CA -2.444 55.761 58.000 0.342 0.000 0.946 345 F CB 1.605 40.883 39.000 0.463 0.000 1.199 345 F HN 0.353 nan 8.300 nan 0.000 0.473 346 P HA 0.160 nan 4.420 nan 0.000 0.275 346 P C -2.711 174.788 177.300 0.331 0.000 1.228 346 P CA -1.754 61.527 63.100 0.302 0.000 0.786 346 P CB 0.127 31.895 31.700 0.113 0.000 0.927 347 P HA 0.189 nan 4.420 nan 0.000 0.271 347 P C -2.480 174.739 177.300 -0.134 0.000 1.233 347 P CA -1.605 61.420 63.100 -0.124 0.000 0.764 347 P CB -0.686 30.986 31.700 -0.046 0.000 0.825 348 P HA 0.117 nan 4.420 nan 0.000 0.269 348 P C 1.135 178.280 177.300 -0.259 0.000 1.209 348 P CA -0.099 62.854 63.100 -0.244 0.000 0.776 348 P CB 0.782 32.160 31.700 -0.536 0.000 0.876 349 K N 1.080 121.323 120.400 -0.261 0.000 2.160 349 K HA -0.131 4.199 4.320 0.017 0.000 0.206 349 K C 1.671 178.090 176.600 -0.302 0.000 1.047 349 K CA 1.075 57.176 56.287 -0.310 0.000 0.930 349 K CB -0.549 31.662 32.500 -0.483 0.000 0.720 349 K HN 0.172 nan 8.250 nan 0.000 0.450 350 V N 1.895 121.613 119.914 -0.327 0.000 2.720 350 V HA -0.179 3.951 4.120 0.017 0.000 0.256 350 V C 1.651 177.690 176.094 -0.091 0.000 1.082 350 V CA 1.842 64.028 62.300 -0.191 0.000 1.101 350 V CB -0.257 31.494 31.823 -0.120 0.000 0.693 350 V HN 0.379 nan 8.190 nan 0.000 0.479 351 I N -3.508 116.975 120.570 -0.146 0.000 4.018 351 I HA 0.186 4.366 4.170 0.017 0.000 0.337 351 I C 1.894 177.947 176.117 -0.105 0.000 1.327 351 I CA 0.573 61.812 61.300 -0.101 0.000 1.100 351 I CB -0.182 37.739 38.000 -0.132 0.000 1.025 351 I HN 0.110 nan 8.210 nan 0.000 0.396 352 Q N 1.029 120.761 119.800 -0.114 0.000 2.234 352 Q HA -0.086 4.264 4.340 0.017 0.000 0.206 352 Q C 1.958 177.926 176.000 -0.053 0.000 0.980 352 Q CA 1.663 57.417 55.803 -0.083 0.000 0.869 352 Q CB 0.149 28.838 28.738 -0.082 0.000 0.912 352 Q HN 0.594 nan 8.270 nan 0.000 0.436 353 V N -1.438 118.451 119.914 -0.042 0.000 2.911 353 V HA 0.065 4.195 4.120 0.017 0.000 0.237 353 V C 0.520 176.605 176.094 -0.016 0.000 1.156 353 V CA 0.479 62.766 62.300 -0.023 0.000 1.180 353 V CB 1.387 33.202 31.823 -0.014 0.000 0.932 353 V HN 0.025 nan 8.190 nan 0.000 0.483 354 S N -0.421 115.275 115.700 -0.007 0.000 2.561 354 S HA 0.364 4.844 4.470 0.017 0.000 0.303 354 S C 0.454 175.068 174.600 0.022 0.000 1.110 354 S CA -0.658 57.545 58.200 0.005 0.000 1.034 354 S CB 1.592 64.802 63.200 0.016 0.000 1.010 354 S HN 0.315 nan 8.310 nan 0.000 0.482 355 K N 2.155 122.556 120.400 0.003 0.000 2.365 355 K HA -0.004 4.326 4.320 0.017 0.000 0.199 355 K C 1.624 178.360 176.600 0.227 0.000 1.045 355 K CA 1.177 57.478 56.287 0.023 0.000 0.962 355 K CB 0.039 32.450 32.500 -0.149 0.000 0.759 355 K HN 0.689 nan 8.250 nan 0.000 0.469 356 S N -0.427 115.336 115.700 0.106 0.000 2.512 356 S HA 0.203 4.682 4.470 0.017 0.000 0.216 356 S C 2.072 176.550 174.600 -0.204 0.000 1.006 356 S CA 0.146 58.320 58.200 -0.043 0.000 0.915 356 S CB 0.494 63.660 63.200 -0.057 0.000 0.824 356 S HN 0.179 nan 8.310 nan 0.000 0.497 357 A N 2.956 125.759 122.820 -0.028 0.000 2.032 357 A HA -0.081 4.249 4.320 0.017 0.000 0.221 357 A C 1.993 179.583 177.584 0.011 0.000 1.165 357 A CA 1.427 53.455 52.037 -0.014 0.000 0.645 357 A CB -1.591 17.435 19.000 0.045 0.000 0.807 357 A HN 0.967 nan 8.150 nan 0.000 0.453 358 W N -0.836 120.472 121.300 0.013 0.000 2.341 358 W HA -0.183 4.487 4.660 0.018 0.000 0.283 358 W C 1.334 177.856 176.519 0.006 0.000 1.215 358 W CA 1.287 58.638 57.345 0.010 0.000 1.211 358 W CB -0.921 28.525 29.460 -0.023 0.000 1.131 358 W HN 0.300 nan 8.180 nan 0.000 0.552 359 M N 0.941 120.110 119.600 -0.718 0.000 2.618 359 M HA 0.053 4.543 4.480 0.017 0.000 0.240 359 M C 0.690 176.833 176.300 -0.262 0.000 1.123 359 M CA 0.701 55.557 55.300 -0.739 0.000 1.060 359 M CB -0.247 31.788 32.600 -0.941 0.000 1.535 359 M HN -0.256 nan 8.290 nan 0.000 0.507 360 T N 0.537 115.027 114.554 -0.107 0.000 2.904 360 T HA 0.037 4.397 4.350 0.017 0.000 0.290 360 T C 0.653 175.412 174.700 0.098 0.000 1.018 360 T CA -0.393 61.704 62.100 -0.005 0.000 1.075 360 T CB 1.073 69.942 68.868 0.002 0.000 0.986 360 T HN 0.129 nan 8.240 nan 0.000 0.523 361 D N 2.023 122.512 120.400 0.149 0.000 2.178 361 D HA -0.047 4.603 4.640 0.017 0.000 0.202 361 D C 1.880 178.334 176.300 0.257 0.000 0.974 361 D CA 0.985 55.142 54.000 0.263 0.000 0.841 361 D CB 0.176 41.148 40.800 0.287 0.000 0.953 361 D HN 0.530 nan 8.370 nan 0.000 0.478 362 E N 0.595 120.891 120.200 0.161 0.000 2.038 362 E HA -0.182 4.178 4.350 0.017 0.000 0.195 362 E C 1.912 178.579 176.600 0.113 0.000 1.000 362 E CA 0.969 57.439 56.400 0.117 0.000 0.803 362 E CB -0.326 29.421 29.700 0.079 0.000 0.750 362 E HN 0.147 nan 8.360 nan 0.000 0.448 363 E N -0.081 120.195 120.200 0.127 0.000 2.150 363 E HA -0.129 4.231 4.350 0.017 0.000 0.193 363 E C 1.703 178.392 176.600 0.149 0.000 0.985 363 E CA 0.555 57.033 56.400 0.130 0.000 0.814 363 E CB -0.369 29.422 29.700 0.153 0.000 0.752 363 E HN 0.311 nan 8.360 nan 0.000 0.466 364 F N 0.435 120.410 119.950 0.040 0.000 2.102 364 F HA -0.082 4.455 4.527 0.016 0.000 0.298 364 F C 1.985 177.779 175.800 -0.009 0.000 1.105 364 F CA 1.852 59.862 58.000 0.017 0.000 1.239 364 F CB -0.646 38.366 39.000 0.020 0.000 0.991 364 F HN 0.068 nan 8.300 nan 0.000 0.474 365 A N 0.658 123.443 122.820 -0.058 0.000 1.897 365 A HA -0.125 4.204 4.320 0.017 0.000 0.215 365 A C 2.409 179.874 177.584 -0.198 0.000 1.181 365 A CA 1.366 53.285 52.037 -0.197 0.000 0.620 365 A CB -0.878 18.119 19.000 -0.006 0.000 0.821 365 A HN 0.451 nan 8.150 nan 0.000 0.443 366 R N 0.036 120.476 120.500 -0.100 0.000 2.103 366 R HA -0.181 4.169 4.340 0.017 0.000 0.242 366 R C 1.787 178.003 176.300 -0.141 0.000 1.142 366 R CA 1.838 57.882 56.100 -0.094 0.000 0.960 366 R CB -0.271 30.025 30.300 -0.008 0.000 0.858 366 R HN 0.679 nan 8.270 nan 0.000 0.439 367 E N -0.272 119.822 120.200 -0.178 0.000 2.409 367 E HA -0.169 4.190 4.350 0.017 0.000 0.198 367 E C 1.686 178.118 176.600 -0.280 0.000 1.024 367 E CA 0.948 57.187 56.400 -0.268 0.000 0.861 367 E CB 0.013 29.510 29.700 -0.337 0.000 0.788 367 E HN 0.472 nan 8.360 nan 0.000 0.521 368 M N -0.217 119.208 119.600 -0.291 0.000 2.558 368 M HA 0.011 4.501 4.480 0.017 0.000 0.255 368 M C 1.664 177.808 176.300 -0.260 0.000 1.113 368 M CA 0.824 55.958 55.300 -0.278 0.000 1.097 368 M CB 0.310 32.722 32.600 -0.313 0.000 1.426 368 M HN 0.092 nan 8.290 nan 0.000 0.488 369 L N -1.281 119.794 121.223 -0.248 0.000 2.537 369 L HA 0.317 4.667 4.340 0.017 0.000 0.224 369 L C 1.608 178.486 176.870 0.013 0.000 1.065 369 L CA 0.112 54.838 54.840 -0.190 0.000 0.860 369 L CB 0.103 41.994 42.059 -0.279 0.000 1.086 369 L HN 0.169 nan 8.230 nan 0.000 0.482 370 A N -0.213 122.555 122.820 -0.088 0.000 2.630 370 A HA 0.571 4.901 4.320 0.017 0.000 0.287 370 A C 0.647 178.351 177.584 0.200 0.000 1.040 370 A CA 0.194 52.155 52.037 -0.128 0.000 0.971 370 A CB -0.076 18.859 19.000 -0.108 0.000 1.241 370 A HN 0.218 nan 8.150 nan 0.000 0.558 371 G N -1.215 107.549 108.800 -0.060 0.000 2.606 371 G HA2 0.397 4.367 3.960 0.017 0.000 0.262 371 G HA3 0.397 4.367 3.960 0.017 0.000 0.262 371 G C 1.007 175.806 174.900 -0.169 0.000 1.394 371 G CA 0.461 45.298 45.100 -0.439 0.000 1.044 371 G HN 0.493 nan 8.290 nan 0.000 0.553 372 V N -0.340 119.398 119.914 -0.294 0.000 2.626 372 V HA 0.022 4.152 4.120 0.017 0.000 0.252 372 V C 0.748 176.597 176.094 -0.409 0.000 1.067 372 V CA 1.985 64.168 62.300 -0.195 0.000 1.081 372 V CB -0.374 31.297 31.823 -0.253 0.000 0.686 372 V HN 0.561 nan 8.190 nan 0.000 0.468 373 N N 0.145 118.620 118.700 -0.375 0.000 2.752 373 N HA 0.342 5.092 4.740 0.017 0.000 0.260 373 N C -2.197 173.202 175.510 -0.185 0.000 1.562 373 N CA -1.355 51.521 53.050 -0.290 0.000 0.788 373 N CB 1.509 39.834 38.487 -0.269 0.000 1.192 373 N HN 0.246 nan 8.380 nan 0.000 0.503 374 P HA 0.204 nan 4.420 nan 0.000 0.258 374 P C 0.033 177.282 177.300 -0.085 0.000 1.416 374 P CA 0.147 63.147 63.100 -0.167 0.000 0.927 374 P CB 0.566 32.160 31.700 -0.176 0.000 1.444 375 N N -0.424 118.208 118.700 -0.113 0.000 2.405 375 N HA 0.025 4.775 4.740 0.017 0.000 0.175 375 N C 1.280 176.844 175.510 0.090 0.000 1.051 375 N CA 0.326 53.384 53.050 0.014 0.000 0.899 375 N CB -0.361 38.136 38.487 0.018 0.000 1.000 375 N HN 0.034 nan 8.380 nan 0.000 0.451 376 L N 0.580 121.823 121.223 0.033 0.000 2.354 376 L HA 0.352 4.702 4.340 0.017 0.000 0.212 376 L C 0.550 177.413 176.870 -0.013 0.000 1.091 376 L CA 0.095 54.932 54.840 -0.006 0.000 0.828 376 L CB -0.617 41.406 42.059 -0.060 0.000 0.973 376 L HN 0.072 nan 8.230 nan 0.000 0.461 377 I N 0.755 121.312 120.570 -0.022 0.000 2.815 377 I HA -0.067 4.113 4.170 0.017 0.000 0.291 377 I C 0.286 176.439 176.117 0.060 0.000 1.209 377 I CA 0.617 61.905 61.300 -0.020 0.000 1.431 377 I CB 0.112 38.012 38.000 -0.166 0.000 1.351 377 I HN 0.177 nan 8.210 nan 0.000 0.585 378 R N 5.419 125.990 120.500 0.117 0.000 2.837 378 R HA 0.425 4.775 4.340 0.017 0.000 0.271 378 R C -1.479 174.953 176.300 0.220 0.000 0.993 378 R CA -0.907 55.277 56.100 0.140 0.000 0.931 378 R CB 1.579 31.923 30.300 0.073 0.000 1.206 378 R HN 0.617 nan 8.270 nan 0.000 0.474 379 C N 2.797 122.182 119.300 0.142 0.000 2.415 379 C HA 0.278 4.748 4.460 0.017 0.000 0.369 379 C C 0.213 175.149 174.990 -0.091 0.000 1.279 379 C CA -0.558 58.412 59.018 -0.080 0.000 1.886 379 C CB -0.426 27.271 27.740 -0.070 0.000 2.468 379 C HN 0.536 nan 8.230 nan 0.000 0.553 380 L N 7.492 128.625 121.223 -0.150 0.000 2.500 380 L HA 0.228 4.578 4.340 0.017 0.000 0.272 380 L C 1.151 177.990 176.870 -0.052 0.000 1.149 380 L CA 0.916 55.727 54.840 -0.049 0.000 0.897 380 L CB 0.221 42.269 42.059 -0.020 0.000 1.178 380 L HN 0.696 nan 8.230 nan 0.000 0.473 381 K N 2.094 122.488 120.400 -0.010 0.000 2.313 381 K HA 0.182 4.512 4.320 0.017 0.000 0.197 381 K C -0.190 176.421 176.600 0.020 0.000 1.061 381 K CA 0.448 56.730 56.287 -0.009 0.000 0.980 381 K CB 0.364 32.861 32.500 -0.005 0.000 0.888 381 K HN 0.809 nan 8.250 nan 0.000 0.502 382 D N -1.414 119.015 120.400 0.048 0.000 2.661 382 D HA 0.398 5.048 4.640 0.017 0.000 0.228 382 D C -1.225 175.161 176.300 0.144 0.000 1.183 382 D CA -0.696 53.353 54.000 0.082 0.000 0.844 382 D CB 1.113 41.937 40.800 0.040 0.000 1.555 382 D HN -0.157 nan 8.370 nan 0.000 0.453 383 F N 0.752 120.680 119.950 -0.036 0.000 2.565 383 F HA 0.617 5.154 4.527 0.016 0.000 0.313 383 F C -2.399 173.375 175.800 -0.043 0.000 1.091 383 F CA -1.785 56.196 58.000 -0.032 0.000 0.915 383 F CB 1.638 40.627 39.000 -0.019 0.000 1.208 383 F HN 0.276 nan 8.300 nan 0.000 0.453 384 P HA 0.344 nan 4.420 nan 0.000 0.274 384 P C -2.857 174.191 177.300 -0.420 0.000 1.246 384 P CA -1.429 61.042 63.100 -1.048 0.000 0.795 384 P CB -0.110 31.120 31.700 -0.783 0.000 1.006 385 P HA 0.056 nan 4.420 nan 0.000 0.265 385 P C -0.019 177.219 177.300 -0.104 0.000 1.187 385 P CA 0.560 63.599 63.100 -0.101 0.000 0.766 385 P CB 0.417 32.091 31.700 -0.045 0.000 0.820 386 R N 0.963 121.430 120.500 -0.055 0.000 2.828 386 R HA 0.696 5.046 4.340 0.017 0.000 0.264 386 R C -0.021 176.303 176.300 0.040 0.000 1.022 386 R CA -0.825 55.257 56.100 -0.029 0.000 1.021 386 R CB 1.395 31.669 30.300 -0.043 0.000 1.163 386 R HN 0.390 nan 8.270 nan 0.000 0.494 387 S N -0.210 115.543 115.700 0.089 0.000 2.578 387 S HA 0.264 4.744 4.470 0.017 0.000 0.301 387 S C 0.202 174.860 174.600 0.098 0.000 1.091 387 S CA -0.762 57.516 58.200 0.130 0.000 1.032 387 S CB 1.307 64.647 63.200 0.233 0.000 1.064 387 S HN 0.525 nan 8.310 nan 0.000 0.508 388 K N 2.459 122.904 120.400 0.074 0.000 2.410 388 K HA 0.288 4.618 4.320 0.017 0.000 0.200 388 K C 0.073 176.711 176.600 0.062 0.000 1.023 388 K CA -0.087 56.236 56.287 0.061 0.000 1.149 388 K CB -0.164 32.364 32.500 0.047 0.000 0.859 388 K HN 0.583 nan 8.250 nan 0.000 0.514 389 L N 0.243 121.511 121.223 0.074 0.000 2.476 389 L HA -0.019 4.331 4.340 0.017 0.000 0.255 389 L C 1.496 178.432 176.870 0.110 0.000 1.218 389 L CA 0.077 54.959 54.840 0.068 0.000 0.819 389 L CB 0.458 42.541 42.059 0.041 0.000 1.119 389 L HN 0.042 nan 8.230 nan 0.000 0.485 390 D N -0.629 119.832 120.400 0.102 0.000 2.128 390 D HA -0.141 4.509 4.640 0.017 0.000 0.213 390 D C 1.629 177.986 176.300 0.094 0.000 0.983 390 D CA 1.598 55.651 54.000 0.088 0.000 0.889 390 D CB 0.290 41.125 40.800 0.059 0.000 1.018 390 D HN 0.549 nan 8.370 nan 0.000 0.448 391 S N -1.162 114.591 115.700 0.089 0.000 2.559 391 S HA 0.127 4.607 4.470 0.017 0.000 0.226 391 S C 0.362 174.983 174.600 0.035 0.000 1.030 391 S CA -0.642 57.592 58.200 0.057 0.000 0.956 391 S CB 0.019 63.239 63.200 0.033 0.000 0.900 391 S HN 0.154 nan 8.310 nan 0.000 0.510 392 Q N 1.034 120.855 119.800 0.036 0.000 2.317 392 Q HA 0.429 4.779 4.340 0.017 0.000 0.229 392 Q C 0.700 176.617 176.000 -0.139 0.000 0.984 392 Q CA -0.457 55.294 55.803 -0.086 0.000 0.911 392 Q CB 0.716 29.367 28.738 -0.145 0.000 1.217 392 Q HN 0.140 nan 8.270 nan 0.000 0.501 393 V N 0.317 120.089 119.914 -0.237 0.000 3.542 393 V HA -0.050 4.080 4.120 0.017 0.000 0.296 393 V C 1.078 177.139 176.094 -0.054 0.000 1.364 393 V CA 0.076 62.315 62.300 -0.101 0.000 1.118 393 V CB -1.434 30.367 31.823 -0.037 0.000 0.972 393 V HN 0.685 nan 8.190 nan 0.000 0.430 394 Y N 0.528 120.893 120.300 0.108 0.000 2.569 394 Y HA 0.166 4.726 4.550 0.017 0.000 0.293 394 Y C 2.061 178.026 175.900 0.108 0.000 1.144 394 Y CA 0.813 58.974 58.100 0.101 0.000 1.321 394 Y CB -0.347 38.256 38.460 0.238 0.000 0.982 394 Y HN 0.246 nan 8.280 nan 0.000 0.558 395 G N -1.220 107.857 108.800 0.461 0.000 2.958 395 G HA2 0.069 4.039 3.960 0.017 0.000 0.225 395 G HA3 0.069 4.039 3.960 0.017 0.000 0.225 395 G C 0.383 175.422 174.900 0.232 0.000 1.036 395 G CA 0.081 45.442 45.100 0.434 0.000 0.880 395 G HN 0.214 nan 8.290 nan 0.000 0.557 396 D N -0.457 120.048 120.400 0.175 0.000 2.566 396 D HA 0.172 4.822 4.640 0.017 0.000 0.253 396 D C 1.442 177.836 176.300 0.158 0.000 0.992 396 D CA 0.443 54.524 54.000 0.136 0.000 0.940 396 D CB 0.114 40.976 40.800 0.103 0.000 1.095 396 D HN 0.192 nan 8.370 nan 0.000 0.480 397 H N -0.361 118.734 119.070 0.041 0.000 3.497 397 H HA 0.335 4.901 4.556 0.017 0.000 0.208 397 H C 0.587 175.935 175.328 0.034 0.000 1.373 397 H CA 1.288 57.350 56.048 0.023 0.000 1.502 397 H CB -0.149 29.615 29.762 0.003 0.000 1.556 397 H HN 0.102 nan 8.280 nan 0.000 0.911 398 T N -2.116 112.471 114.554 0.054 0.000 2.647 398 T HA 0.364 4.724 4.350 0.017 0.000 0.295 398 T C -0.392 174.288 174.700 -0.034 0.000 1.126 398 T CA -0.319 61.760 62.100 -0.035 0.000 1.040 398 T CB 0.523 69.270 68.868 -0.201 0.000 1.472 398 T HN 0.482 nan 8.240 nan 0.000 0.500 399 S N -0.277 115.359 115.700 -0.106 0.000 2.573 399 S HA 0.170 4.650 4.470 0.017 0.000 0.277 399 S C 0.729 175.258 174.600 -0.119 0.000 1.346 399 S CA -0.039 58.081 58.200 -0.133 0.000 1.034 399 S CB 0.224 63.331 63.200 -0.156 0.000 0.879 399 S HN 0.691 nan 8.310 nan 0.000 0.528 400 Q N 2.229 121.982 119.800 -0.077 0.000 2.246 400 Q HA 0.276 4.625 4.340 0.017 0.000 0.202 400 Q C -0.406 175.616 176.000 0.036 0.000 0.883 400 Q CA -0.117 55.670 55.803 -0.026 0.000 0.952 400 Q CB 0.012 28.750 28.738 -0.001 0.000 1.078 400 Q HN 0.671 nan 8.270 nan 0.000 0.493 401 I N 1.246 121.816 120.570 0.000 0.000 2.634 401 I HA 0.009 4.189 4.170 0.017 0.000 0.284 401 I C 0.412 176.643 176.117 0.190 0.000 1.124 401 I CA 0.573 61.958 61.300 0.141 0.000 1.417 401 I CB 1.014 39.063 38.000 0.082 0.000 1.396 401 I HN -0.089 nan 8.210 nan 0.000 0.571 402 T N 4.626 119.458 114.554 0.463 0.000 2.930 402 T HA 0.274 4.634 4.350 0.017 0.000 0.290 402 T C 0.881 175.801 174.700 0.367 0.000 1.052 402 T CA -0.939 61.327 62.100 0.278 0.000 1.017 402 T CB 1.826 70.663 68.868 -0.052 0.000 1.137 402 T HN 0.505 nan 8.240 nan 0.000 0.511 403 K N 0.728 121.300 120.400 0.286 0.000 2.209 403 K HA -0.031 4.299 4.320 0.017 0.000 0.204 403 K C 1.616 178.220 176.600 0.007 0.000 1.048 403 K CA 0.901 57.243 56.287 0.092 0.000 0.940 403 K CB 0.215 32.723 32.500 0.014 0.000 0.729 403 K HN 0.373 nan 8.250 nan 0.000 0.451 404 E N 0.985 121.165 120.200 -0.033 0.000 2.358 404 E HA -0.081 4.279 4.350 0.017 0.000 0.195 404 E C 1.538 178.105 176.600 -0.055 0.000 1.010 404 E CA 0.654 57.008 56.400 -0.076 0.000 0.856 404 E CB 0.019 29.652 29.700 -0.111 0.000 0.795 404 E HN 0.518 nan 8.360 nan 0.000 0.504 405 H N -0.551 118.525 119.070 0.010 0.000 2.421 405 H HA 0.023 4.589 4.556 0.017 0.000 0.298 405 H C 0.516 175.832 175.328 -0.020 0.000 1.087 405 H CA 0.366 56.417 56.048 0.004 0.000 1.330 405 H CB 0.299 30.088 29.762 0.044 0.000 1.388 405 H HN -0.029 nan 8.280 nan 0.000 0.526 406 L N 1.202 122.475 121.223 0.084 0.000 2.307 406 L HA 0.237 4.587 4.340 0.017 0.000 0.282 406 L C -0.539 176.258 176.870 -0.122 0.000 1.051 406 L CA -0.651 54.169 54.840 -0.033 0.000 0.804 406 L CB 1.440 43.458 42.059 -0.069 0.000 1.197 406 L HN 0.297 nan 8.230 nan 0.000 0.431 407 E N 1.934 122.021 120.200 -0.187 0.000 7.400 407 E HA -0.090 4.270 4.350 0.017 0.000 0.205 407 E C -2.241 174.274 176.600 -0.141 0.000 0.921 407 E CA 0.049 56.307 56.400 -0.236 0.000 1.648 407 E CB -0.700 28.815 29.700 -0.308 0.000 0.902 407 E HN 0.558 nan 8.360 nan 0.000 0.268 408 P HA 0.354 nan 4.420 nan 0.000 0.291 408 P C 0.217 177.481 177.300 -0.061 0.000 1.341 408 P CA 0.314 63.363 63.100 -0.085 0.000 0.999 408 P CB 0.514 32.161 31.700 -0.089 0.000 1.501 409 N N -2.951 115.720 118.700 -0.049 0.000 2.466 409 N HA -0.040 4.710 4.740 0.017 0.000 0.331 409 N C -0.347 175.165 175.510 0.003 0.000 1.149 409 N CA 0.011 53.048 53.050 -0.021 0.000 2.034 409 N CB -0.643 37.833 38.487 -0.019 0.000 2.182 409 N HN -0.155 nan 8.380 nan 0.000 1.142 410 L N 1.629 122.855 121.223 0.006 0.000 2.770 410 L HA 0.427 4.777 4.340 0.017 0.000 0.229 410 L C 0.950 177.826 176.870 0.010 0.000 1.173 410 L CA -0.067 54.809 54.840 0.059 0.000 0.871 410 L CB 0.426 42.630 42.059 0.242 0.000 1.682 410 L HN 0.081 nan 8.230 nan 0.000 0.523 411 E N 0.323 120.573 120.200 0.084 0.000 2.357 411 E HA 0.129 4.489 4.350 0.017 0.000 0.194 411 E C 0.700 177.310 176.600 0.016 0.000 1.177 411 E CA 0.650 57.091 56.400 0.068 0.000 0.998 411 E CB -0.905 28.872 29.700 0.128 0.000 1.106 411 E HN 0.673 nan 8.360 nan 0.000 0.470 412 G N 0.604 109.380 108.800 -0.040 0.000 2.356 412 G HA2 -0.288 3.682 3.960 0.017 0.000 0.296 412 G HA3 -0.288 3.682 3.960 0.017 0.000 0.296 412 G C -0.186 174.693 174.900 -0.034 0.000 1.022 412 G CA 0.297 45.371 45.100 -0.044 0.000 0.961 412 G HN 0.173 nan 8.290 nan 0.000 0.510 413 L N 0.620 121.818 121.223 -0.041 0.000 2.399 413 L HA 0.661 5.011 4.340 0.017 0.000 0.265 413 L C 1.563 178.383 176.870 -0.083 0.000 1.089 413 L CA 0.071 54.892 54.840 -0.031 0.000 0.802 413 L CB 1.039 43.102 42.059 0.007 0.000 1.180 413 L HN 0.415 nan 8.230 nan 0.000 0.454 414 T N -1.751 112.758 114.554 -0.075 0.000 2.726 414 T HA 0.246 4.606 4.350 0.017 0.000 0.294 414 T C 1.337 175.950 174.700 -0.146 0.000 1.013 414 T CA -0.638 61.400 62.100 -0.102 0.000 0.996 414 T CB 0.506 69.328 68.868 -0.076 0.000 1.016 414 T HN 0.216 nan 8.240 nan 0.000 0.529 415 V N 1.411 121.201 119.914 -0.207 0.000 2.343 415 V HA -0.142 3.988 4.120 0.017 0.000 0.247 415 V C 2.403 178.364 176.094 -0.221 0.000 1.051 415 V CA 2.292 64.404 62.300 -0.313 0.000 1.036 415 V CB -1.109 30.367 31.823 -0.579 0.000 0.654 415 V HN 0.896 nan 8.190 nan 0.000 0.451 416 D N -0.137 120.172 120.400 -0.150 0.000 2.123 416 D HA -0.200 4.450 4.640 0.017 0.000 0.196 416 D C 2.172 178.435 176.300 -0.062 0.000 0.992 416 D CA 1.505 55.454 54.000 -0.085 0.000 0.833 416 D CB -0.182 40.590 40.800 -0.048 0.000 0.954 416 D HN 0.529 nan 8.370 nan 0.000 0.455 417 E N 0.108 120.276 120.200 -0.054 0.000 2.106 417 E HA -0.099 4.261 4.350 0.017 0.000 0.192 417 E C 2.119 178.714 176.600 -0.008 0.000 0.984 417 E CA 0.856 57.241 56.400 -0.026 0.000 0.806 417 E CB -0.069 29.622 29.700 -0.016 0.000 0.750 417 E HN 0.278 nan 8.360 nan 0.000 0.458 418 A N 1.188 124.000 122.820 -0.013 0.000 1.898 418 A HA -0.155 4.174 4.320 0.017 0.000 0.216 418 A C 2.102 179.683 177.584 -0.004 0.000 1.181 418 A CA 0.897 52.967 52.037 0.054 0.000 0.620 418 A CB -0.295 18.745 19.000 0.067 0.000 0.819 418 A HN 0.108 nan 8.150 nan 0.000 0.442 419 I N -0.331 120.203 120.570 -0.060 0.000 2.163 419 I HA -0.204 3.976 4.170 0.017 0.000 0.240 419 I C 2.665 178.747 176.117 -0.058 0.000 1.081 419 I CA 1.359 62.612 61.300 -0.079 0.000 1.353 419 I CB -1.355 36.600 38.000 -0.074 0.000 1.054 419 I HN 0.435 nan 8.210 nan 0.000 0.407 420 Q N 0.884 120.662 119.800 -0.038 0.000 2.096 420 Q HA -0.195 4.155 4.340 0.017 0.000 0.204 420 Q C 1.174 177.161 176.000 -0.022 0.000 0.982 420 Q CA 1.265 57.053 55.803 -0.025 0.000 0.850 420 Q CB -0.152 28.576 28.738 -0.017 0.000 0.901 420 Q HN 0.525 nan 8.270 nan 0.000 0.422 421 N N 0.955 119.646 118.700 -0.015 0.000 2.362 421 N HA 0.012 4.762 4.740 0.017 0.000 0.204 421 N C -0.524 174.973 175.510 -0.021 0.000 1.166 421 N CA 0.133 53.179 53.050 -0.007 0.000 0.831 421 N CB 0.186 38.681 38.487 0.013 0.000 1.008 421 N HN 0.155 nan 8.380 nan 0.000 0.472 422 K N 0.120 120.486 120.400 -0.058 0.000 3.278 422 K HA -0.229 4.101 4.320 0.017 0.000 0.270 422 K C 0.429 176.944 176.600 -0.141 0.000 0.955 422 K CA 0.385 56.603 56.287 -0.116 0.000 0.723 422 K CB -0.833 31.635 32.500 -0.053 0.000 1.382 422 K HN 0.317 nan 8.250 nan 0.000 0.461 423 R N -0.164 120.254 120.500 -0.137 0.000 2.437 423 R HA 0.268 4.618 4.340 0.017 0.000 0.257 423 R C 0.186 176.446 176.300 -0.067 0.000 0.927 423 R CA -0.117 55.946 56.100 -0.063 0.000 1.078 423 R CB 0.565 30.843 30.300 -0.038 0.000 1.161 423 R HN 0.117 nan 8.270 nan 0.000 0.529 424 L N 0.901 121.942 121.223 -0.303 0.000 2.334 424 L HA 0.524 4.874 4.340 0.017 0.000 0.276 424 L C -0.877 175.597 176.870 -0.660 0.000 1.014 424 L CA -0.662 54.066 54.840 -0.186 0.000 0.815 424 L CB 1.291 43.323 42.059 -0.046 0.000 1.268 424 L HN -0.129 nan 8.230 nan 0.000 0.428 425 F N 2.702 122.701 119.950 0.080 0.000 2.613 425 F HA 0.671 5.208 4.527 0.017 0.000 0.314 425 F C -0.629 175.207 175.800 0.060 0.000 1.075 425 F CA -0.789 57.235 58.000 0.041 0.000 0.945 425 F CB 2.160 41.157 39.000 -0.006 0.000 1.310 425 F HN 0.153 nan 8.300 nan 0.000 0.467 426 L N 2.602 123.960 121.223 0.225 0.000 2.445 426 L HA 0.626 4.976 4.340 0.017 0.000 0.262 426 L C -2.132 174.804 176.870 0.111 0.000 0.974 426 L CA -0.474 54.457 54.840 0.152 0.000 0.822 426 L CB 2.118 44.243 42.059 0.110 0.000 1.339 426 L HN 0.612 nan 8.230 nan 0.000 0.409 427 L N 4.332 125.618 121.223 0.106 0.000 2.316 427 L HA 0.487 4.837 4.340 0.017 0.000 0.280 427 L C -1.443 175.511 176.870 0.140 0.000 1.006 427 L CA -0.265 54.633 54.840 0.097 0.000 0.836 427 L CB 1.327 43.443 42.059 0.095 0.000 1.221 427 L HN 0.692 nan 8.230 nan 0.000 0.418 428 D N 3.811 124.239 120.400 0.047 0.000 2.441 428 D HA 0.240 4.890 4.640 0.017 0.000 0.231 428 D C -0.165 176.088 176.300 -0.079 0.000 1.073 428 D CA -0.164 53.864 54.000 0.046 0.000 0.850 428 D CB 0.686 41.492 40.800 0.011 0.000 1.062 428 D HN 0.523 nan 8.370 nan 0.000 0.524 429 H N 2.671 121.785 119.070 0.073 0.000 2.528 429 H HA 0.035 4.600 4.556 0.017 0.000 0.256 429 H C 0.404 175.829 175.328 0.162 0.000 1.204 429 H CA -0.173 55.933 56.048 0.096 0.000 0.955 429 H CB 0.645 30.482 29.762 0.125 0.000 1.817 429 H HN 0.522 nan 8.280 nan 0.000 0.579 430 H N 0.993 120.125 119.070 0.103 0.000 2.320 430 H HA -0.042 4.523 4.556 0.016 0.000 0.309 430 H C 1.200 176.532 175.328 0.007 0.000 1.057 430 H CA 1.277 57.361 56.048 0.060 0.000 1.374 430 H CB 0.503 30.277 29.762 0.019 0.000 1.421 430 H HN 0.187 nan 8.280 nan 0.000 0.532 431 D N 0.666 120.927 120.400 -0.232 0.000 2.117 431 D HA -0.094 4.556 4.640 0.017 0.000 0.198 431 D C -0.632 175.578 176.300 -0.151 0.000 0.982 431 D CA 1.223 55.062 54.000 -0.269 0.000 0.828 431 D CB -1.430 39.302 40.800 -0.112 0.000 0.967 431 D HN 0.451 nan 8.370 nan 0.000 0.464 432 P HA -0.029 nan 4.420 nan 0.000 0.216 432 P C 1.802 179.000 177.300 -0.172 0.000 1.153 432 P CA 0.625 63.685 63.100 -0.067 0.000 0.844 432 P CB 0.171 31.892 31.700 0.035 0.000 0.787 433 I N -2.103 118.403 120.570 -0.106 0.000 3.059 433 I HA -0.098 4.082 4.170 0.017 0.000 0.270 433 I C 2.101 178.186 176.117 -0.053 0.000 1.238 433 I CA 0.474 61.697 61.300 -0.130 0.000 1.478 433 I CB -0.118 37.958 38.000 0.127 0.000 1.097 433 I HN -0.188 nan 8.210 nan 0.000 0.455 434 M N 2.370 121.894 119.600 -0.127 0.000 2.115 434 M HA -0.116 4.373 4.480 0.017 0.000 0.258 434 M C -0.929 175.321 176.300 -0.084 0.000 1.071 434 M CA 2.358 57.559 55.300 -0.164 0.000 1.100 434 M CB -1.748 30.569 32.600 -0.471 0.000 1.292 434 M HN -0.061 nan 8.290 nan 0.000 0.415 435 P HA -0.140 nan 4.420 nan 0.000 0.224 435 P C 0.238 177.391 177.300 -0.247 0.000 1.142 435 P CA 1.365 64.394 63.100 -0.119 0.000 0.778 435 P CB -0.225 31.409 31.700 -0.110 0.000 0.764 436 Y N -3.080 117.119 120.300 -0.168 0.000 2.531 436 Y HA 0.157 4.717 4.550 0.017 0.000 0.249 436 Y C 1.644 177.445 175.900 -0.165 0.000 1.168 436 Y CA -0.310 57.641 58.100 -0.249 0.000 1.226 436 Y CB -0.098 38.144 38.460 -0.363 0.000 1.177 436 Y HN -0.163 nan 8.280 nan 0.000 0.527 437 L N 1.108 122.346 121.223 0.025 0.000 2.072 437 L HA -0.120 4.230 4.340 0.017 0.000 0.205 437 L C 2.724 179.627 176.870 0.055 0.000 1.079 437 L CA 1.560 56.435 54.840 0.058 0.000 0.752 437 L CB -0.787 41.307 42.059 0.057 0.000 0.906 437 L HN 0.258 nan 8.230 nan 0.000 0.436 438 R N -0.133 120.401 120.500 0.056 0.000 2.094 438 R HA -0.227 4.123 4.340 0.017 0.000 0.239 438 R C 2.176 178.520 176.300 0.074 0.000 1.137 438 R CA 2.000 58.170 56.100 0.116 0.000 0.943 438 R CB -0.816 29.685 30.300 0.334 0.000 0.850 438 R HN 0.283 nan 8.270 nan 0.000 0.433 439 R N 0.192 120.693 120.500 0.000 0.000 2.075 439 R HA 0.030 4.380 4.340 0.017 0.000 0.232 439 R C 2.527 178.910 176.300 0.138 0.000 1.126 439 R CA 1.754 57.862 56.100 0.013 0.000 0.963 439 R CB -0.343 29.819 30.300 -0.230 0.000 0.858 439 R HN 0.306 nan 8.270 nan 0.000 0.435 440 I N 0.819 121.471 120.570 0.136 0.000 2.315 440 I HA -0.231 3.949 4.170 0.017 0.000 0.248 440 I C 1.236 177.435 176.117 0.136 0.000 1.117 440 I CA 1.285 62.720 61.300 0.224 0.000 1.404 440 I CB -0.204 37.932 38.000 0.227 0.000 1.071 440 I HN 0.236 nan 8.210 nan 0.000 0.419 441 N N 0.541 119.299 118.700 0.096 0.000 2.571 441 N HA -0.019 4.731 4.740 0.017 0.000 0.189 441 N C 1.447 176.982 175.510 0.041 0.000 1.154 441 N CA 0.503 53.583 53.050 0.049 0.000 0.907 441 N CB 0.088 38.632 38.487 0.096 0.000 0.977 441 N HN 0.300 nan 8.380 nan 0.000 0.449 442 A N 0.398 123.262 122.820 0.073 0.000 2.238 442 A HA 0.050 4.380 4.320 0.017 0.000 0.210 442 A C 1.393 179.011 177.584 0.057 0.000 1.179 442 A CA 0.134 52.211 52.037 0.067 0.000 0.827 442 A CB -0.152 18.900 19.000 0.086 0.000 0.856 442 A HN 0.264 nan 8.150 nan 0.000 0.488 443 T N -2.926 111.666 114.554 0.064 0.000 2.891 443 T HA 0.309 4.668 4.350 0.017 0.000 0.294 443 T C 1.370 176.073 174.700 0.005 0.000 1.065 443 T CA 0.304 62.432 62.100 0.046 0.000 0.936 443 T CB 0.370 69.282 68.868 0.072 0.000 1.415 443 T HN 0.214 nan 8.240 nan 0.000 0.572 444 S N -0.391 115.306 115.700 -0.005 0.000 2.447 444 S HA 0.018 4.498 4.470 0.017 0.000 0.233 444 S C 1.028 175.598 174.600 -0.050 0.000 1.006 444 S CA 0.318 58.500 58.200 -0.030 0.000 0.957 444 S CB -0.832 62.355 63.200 -0.021 0.000 0.773 444 S HN 0.778 nan 8.310 nan 0.000 0.507 445 T N 3.595 118.136 114.554 -0.022 0.000 2.919 445 T HA 0.286 4.646 4.350 0.017 0.000 0.302 445 T C -0.092 174.549 174.700 -0.098 0.000 1.031 445 T CA 0.043 62.129 62.100 -0.023 0.000 1.127 445 T CB 0.363 69.260 68.868 0.048 0.000 0.952 445 T HN 0.063 nan 8.240 nan 0.000 0.540 446 K N 1.975 122.275 120.400 -0.168 0.000 2.545 446 K HA 0.716 5.046 4.320 0.017 0.000 0.252 446 K C -0.828 175.673 176.600 -0.165 0.000 0.948 446 K CA -0.575 55.479 56.287 -0.389 0.000 0.827 446 K CB 2.172 34.066 32.500 -1.010 0.000 1.128 446 K HN 0.668 nan 8.250 nan 0.000 0.429 447 A N 2.950 125.739 122.820 -0.050 0.000 2.454 447 A HA 0.825 5.155 4.320 0.017 0.000 0.302 447 A C -1.585 175.942 177.584 -0.096 0.000 1.079 447 A CA -0.645 51.414 52.037 0.036 0.000 0.731 447 A CB 1.030 20.122 19.000 0.153 0.000 1.299 447 A HN 0.522 nan 8.150 nan 0.000 0.413 448 Y N -0.101 120.279 120.300 0.132 0.000 2.528 448 Y HA 0.634 5.193 4.550 0.016 0.000 0.335 448 Y C 0.699 176.688 175.900 0.149 0.000 1.093 448 Y CA -0.299 57.850 58.100 0.082 0.000 1.134 448 Y CB 2.027 40.465 38.460 -0.037 0.000 1.253 448 Y HN 0.843 nan 8.280 nan 0.000 0.478 449 A N 1.357 124.383 122.820 0.344 0.000 2.274 449 A HA 0.649 4.979 4.320 0.017 0.000 0.309 449 A C -0.209 177.578 177.584 0.338 0.000 1.226 449 A CA -0.307 51.928 52.037 0.331 0.000 0.853 449 A CB -0.140 19.056 19.000 0.326 0.000 1.146 449 A HN 0.716 nan 8.150 nan 0.000 0.518 450 T N 0.654 115.391 114.554 0.305 0.000 2.907 450 T HA 0.804 5.164 4.350 0.017 0.000 0.292 450 T C -0.442 174.391 174.700 0.222 0.000 1.043 450 T CA -0.890 61.342 62.100 0.220 0.000 1.003 450 T CB 1.423 70.397 68.868 0.177 0.000 1.084 450 T HN 0.722 nan 8.240 nan 0.000 0.483 451 R N 0.407 120.998 120.500 0.152 0.000 2.795 451 R HA 0.780 5.130 4.340 0.017 0.000 0.275 451 R C -0.978 175.413 176.300 0.151 0.000 0.981 451 R CA -0.996 55.191 56.100 0.146 0.000 0.917 451 R CB 2.282 32.636 30.300 0.090 0.000 1.202 451 R HN 0.773 nan 8.270 nan 0.000 0.469 452 T N 2.052 116.709 114.554 0.172 0.000 2.921 452 T HA 0.563 4.923 4.350 0.017 0.000 0.297 452 T C -0.855 173.966 174.700 0.202 0.000 1.013 452 T CA -0.593 61.631 62.100 0.206 0.000 0.990 452 T CB 0.737 69.757 68.868 0.254 0.000 1.023 452 T HN 0.404 nan 8.240 nan 0.000 0.447 453 I N 5.209 125.916 120.570 0.228 0.000 2.404 453 I HA 0.533 4.713 4.170 0.017 0.000 0.293 453 I C -0.885 175.391 176.117 0.265 0.000 0.992 453 I CA -0.960 60.478 61.300 0.230 0.000 1.149 453 I CB 1.783 39.917 38.000 0.224 0.000 1.315 453 I HN 0.479 nan 8.210 nan 0.000 0.446 454 L N 5.843 127.235 121.223 0.283 0.000 2.354 454 L HA 0.575 4.925 4.340 0.017 0.000 0.264 454 L C -0.950 176.168 176.870 0.415 0.000 1.008 454 L CA -0.556 54.473 54.840 0.315 0.000 0.819 454 L CB 2.139 44.339 42.059 0.235 0.000 1.339 454 L HN 0.356 nan 8.230 nan 0.000 0.420 455 F N 1.700 121.765 119.950 0.192 0.000 2.551 455 F HA 0.667 5.204 4.527 0.016 0.000 0.316 455 F C -1.156 174.745 175.800 0.170 0.000 1.089 455 F CA -1.032 57.075 58.000 0.179 0.000 0.915 455 F CB 1.689 40.747 39.000 0.097 0.000 1.186 455 F HN 0.290 nan 8.300 nan 0.000 0.456 456 L N 6.664 127.643 121.223 -0.407 0.000 2.260 456 L HA 0.398 4.748 4.340 0.017 0.000 0.289 456 L C -0.271 176.171 176.870 -0.713 0.000 1.057 456 L CA -0.025 54.594 54.840 -0.368 0.000 0.811 456 L CB 0.225 42.210 42.059 -0.123 0.000 1.184 456 L HN 0.636 nan 8.230 nan 0.000 0.429 457 K N 3.071 123.246 120.400 -0.374 0.000 2.156 457 K HA 0.033 4.363 4.320 0.017 0.000 0.242 457 K C 1.041 177.528 176.600 -0.189 0.000 1.033 457 K CA -0.066 56.068 56.287 -0.255 0.000 0.878 457 K CB 0.328 32.804 32.500 -0.040 0.000 1.057 457 K HN 0.694 nan 8.250 nan 0.000 0.505 458 N N 1.370 120.019 118.700 -0.084 0.000 2.453 458 N HA -0.151 4.599 4.740 0.017 0.000 0.183 458 N C 0.587 176.075 175.510 -0.037 0.000 1.041 458 N CA 0.943 53.964 53.050 -0.049 0.000 0.900 458 N CB 0.133 38.618 38.487 -0.003 0.000 0.961 458 N HN 0.531 nan 8.380 nan 0.000 0.443 459 D N -0.755 119.626 120.400 -0.032 0.000 2.340 459 D HA 0.034 4.683 4.640 0.017 0.000 0.220 459 D C 1.201 177.483 176.300 -0.030 0.000 1.039 459 D CA 0.850 54.838 54.000 -0.020 0.000 0.866 459 D CB -0.322 40.475 40.800 -0.005 0.000 0.913 459 D HN 0.270 nan 8.370 nan 0.000 0.523 460 G N 0.350 109.118 108.800 -0.054 0.000 2.159 460 G HA2 -0.264 3.705 3.960 0.017 0.000 0.256 460 G HA3 -0.264 3.705 3.960 0.017 0.000 0.256 460 G C 0.446 175.304 174.900 -0.071 0.000 0.977 460 G CA 0.765 45.828 45.100 -0.062 0.000 0.652 460 G HN 0.832 nan 8.290 nan 0.000 0.531 461 T N -1.762 112.755 114.554 -0.062 0.000 2.943 461 T HA 0.769 5.129 4.350 0.017 0.000 0.284 461 T C -0.101 174.557 174.700 -0.071 0.000 1.015 461 T CA -0.904 61.162 62.100 -0.057 0.000 1.042 461 T CB 2.546 71.403 68.868 -0.018 0.000 1.055 461 T HN 0.643 nan 8.240 nan 0.000 0.500 462 L N 1.540 122.720 121.223 -0.072 0.000 2.343 462 L HA 0.691 5.041 4.340 0.017 0.000 0.275 462 L C 0.182 177.078 176.870 0.043 0.000 1.056 462 L CA -0.538 54.267 54.840 -0.057 0.000 0.804 462 L CB 1.403 43.374 42.059 -0.146 0.000 1.203 462 L HN 0.950 nan 8.230 nan 0.000 0.440 463 R N 5.278 125.853 120.500 0.126 0.000 2.628 463 R HA 0.624 4.974 4.340 0.017 0.000 0.288 463 R C -2.833 173.633 176.300 0.277 0.000 0.980 463 R CA -1.628 54.594 56.100 0.203 0.000 0.891 463 R CB 2.245 32.670 30.300 0.208 0.000 1.188 463 R HN 0.368 nan 8.270 nan 0.000 0.450 464 P HA 0.109 nan 4.420 nan 0.000 0.282 464 P C -0.473 177.061 177.300 0.389 0.000 1.262 464 P CA -0.380 62.997 63.100 0.461 0.000 0.773 464 P CB 1.330 33.461 31.700 0.719 0.000 0.879 465 L N 2.793 124.206 121.223 0.316 0.000 2.470 465 L HA 0.450 4.800 4.340 0.017 0.000 0.219 465 L C 0.984 177.958 176.870 0.174 0.000 1.071 465 L CA 0.590 55.538 54.840 0.179 0.000 0.850 465 L CB -0.586 41.547 42.059 0.124 0.000 1.040 465 L HN 0.484 nan 8.230 nan 0.000 0.475 466 A N -0.667 122.331 122.820 0.296 0.000 2.577 466 A HA 0.651 4.981 4.320 0.017 0.000 0.297 466 A C -1.671 176.106 177.584 0.321 0.000 1.060 466 A CA -0.323 51.876 52.037 0.270 0.000 0.697 466 A CB 1.132 20.198 19.000 0.109 0.000 1.281 466 A HN -0.135 nan 8.150 nan 0.000 0.402 467 I N 1.333 122.110 120.570 0.346 0.000 2.465 467 I HA 0.497 4.677 4.170 0.017 0.000 0.291 467 I C 0.100 176.331 176.117 0.190 0.000 1.014 467 I CA -0.738 60.700 61.300 0.230 0.000 1.093 467 I CB 1.784 39.834 38.000 0.084 0.000 1.267 467 I HN 0.783 nan 8.210 nan 0.000 0.431 468 E N 6.939 127.204 120.200 0.108 0.000 2.176 468 E HA 0.603 4.963 4.350 0.017 0.000 0.267 468 E C -1.722 174.901 176.600 0.039 0.000 0.893 468 E CA -0.557 55.870 56.400 0.044 0.000 0.761 468 E CB 1.284 30.974 29.700 -0.018 0.000 1.133 468 E HN 0.534 nan 8.360 nan 0.000 0.409 469 L N 3.448 124.670 121.223 -0.003 0.000 2.319 469 L HA 0.439 4.789 4.340 0.017 0.000 0.281 469 L C -0.497 176.352 176.870 -0.035 0.000 1.005 469 L CA -0.656 54.100 54.840 -0.140 0.000 0.828 469 L CB 1.795 43.508 42.059 -0.576 0.000 1.227 469 L HN 0.442 nan 8.230 nan 0.000 0.415 470 S N 3.382 119.172 115.700 0.148 0.000 2.536 470 S HA 0.863 5.343 4.470 0.017 0.000 0.298 470 S C -0.594 174.154 174.600 0.246 0.000 1.083 470 S CA -0.537 57.758 58.200 0.158 0.000 0.995 470 S CB 2.200 65.511 63.200 0.185 0.000 1.058 470 S HN 0.267 nan 8.310 nan 0.000 0.488 471 L N 2.541 123.861 121.223 0.161 0.000 2.303 471 L HA 0.720 5.070 4.340 0.017 0.000 0.256 471 L C -2.473 174.492 176.870 0.159 0.000 1.034 471 L CA -2.097 52.805 54.840 0.105 0.000 0.832 471 L CB 0.748 42.791 42.059 -0.027 0.000 1.403 471 L HN 0.356 nan 8.230 nan 0.000 0.419 472 P HA 0.175 nan 4.420 nan 0.000 0.281 472 P C -0.666 176.599 177.300 -0.059 0.000 1.264 472 P CA -0.089 63.044 63.100 0.054 0.000 0.824 472 P CB 0.401 32.064 31.700 -0.063 0.000 1.092 473 H N -0.784 118.380 119.070 0.157 0.000 2.394 473 H HA -0.115 4.451 4.556 0.017 0.000 0.322 473 H C -1.652 173.700 175.328 0.040 0.000 1.012 473 H CA -0.256 55.837 56.048 0.076 0.000 1.084 473 H CB -1.916 27.881 29.762 0.059 0.000 1.597 473 H HN 0.255 nan 8.280 nan 0.000 0.375 474 P HA -0.249 nan 4.420 nan 0.000 0.216 474 P C 0.345 177.615 177.300 -0.050 0.000 1.151 474 P CA 1.772 64.819 63.100 -0.088 0.000 0.953 474 P CB 0.216 31.808 31.700 -0.180 0.000 0.789 475 Q N -1.315 118.482 119.800 -0.006 0.000 2.282 475 Q HA 0.552 4.902 4.340 0.017 0.000 0.260 475 Q C 0.905 176.961 176.000 0.093 0.000 0.964 475 Q CA 0.366 56.189 55.803 0.034 0.000 0.880 475 Q CB 1.422 30.152 28.738 -0.013 0.000 1.286 475 Q HN 0.429 nan 8.270 nan 0.000 0.445 476 G N 1.757 110.609 108.800 0.087 0.000 2.972 476 G HA2 -0.257 3.713 3.960 0.017 0.000 0.265 476 G HA3 -0.257 3.713 3.960 0.017 0.000 0.265 476 G C -0.242 174.638 174.900 -0.032 0.000 1.506 476 G CA 0.062 45.162 45.100 0.001 0.000 1.016 476 G HN 0.694 nan 8.290 nan 0.000 0.563 477 D N -0.136 120.307 120.400 0.072 0.000 3.878 477 D HA -0.042 4.608 4.640 0.017 0.000 0.150 477 D C 0.140 176.454 176.300 0.023 0.000 0.614 477 D CA 0.980 55.031 54.000 0.084 0.000 0.764 477 D CB -1.096 39.700 40.800 -0.007 0.000 1.403 477 D HN 0.665 nan 8.370 nan 0.000 0.304 478 Q N 0.344 120.139 119.800 -0.008 0.000 2.377 478 Q HA 0.426 4.776 4.340 0.017 0.000 0.271 478 Q C -0.048 175.917 176.000 -0.057 0.000 1.077 478 Q CA -0.416 55.368 55.803 -0.031 0.000 0.820 478 Q CB 2.194 30.916 28.738 -0.027 0.000 1.347 478 Q HN 0.178 nan 8.270 nan 0.000 0.444 479 S N 0.608 116.260 115.700 -0.080 0.000 4.576 479 S HA -0.212 4.268 4.470 0.017 0.000 0.416 479 S C 0.698 175.199 174.600 -0.164 0.000 0.584 479 S CA 0.793 58.915 58.200 -0.131 0.000 1.251 479 S CB -0.580 62.565 63.200 -0.093 0.000 2.150 479 S HN 0.903 nan 8.310 nan 0.000 0.329 480 G N 3.163 111.738 108.800 -0.376 0.000 2.850 480 G HA2 0.514 4.484 3.960 0.017 0.000 0.211 480 G HA3 0.514 4.484 3.960 0.017 0.000 0.211 480 G C 0.445 175.275 174.900 -0.116 0.000 1.124 480 G CA 0.264 45.170 45.100 -0.322 0.000 0.769 480 G HN 1.392 nan 8.290 nan 0.000 0.535 481 A N 0.484 123.228 122.820 -0.126 0.000 2.366 481 A HA 0.604 4.934 4.320 0.017 0.000 0.272 481 A C -1.343 176.385 177.584 0.241 0.000 1.135 481 A CA -0.367 51.813 52.037 0.240 0.000 0.804 481 A CB 0.376 19.528 19.000 0.253 0.000 1.064 481 A HN 0.322 nan 8.150 nan 0.000 0.499 482 F N 2.997 123.001 119.950 0.091 0.000 2.513 482 F HA 0.586 5.123 4.527 0.017 0.000 0.358 482 F C -0.346 175.489 175.800 0.058 0.000 1.118 482 F CA -0.777 57.247 58.000 0.040 0.000 1.037 482 F CB 1.181 40.187 39.000 0.011 0.000 1.276 482 F HN 0.386 nan 8.300 nan 0.000 0.446 483 S N 4.658 120.177 115.700 -0.302 0.000 2.568 483 S HA 0.708 5.188 4.470 0.017 0.000 0.293 483 S C -1.063 173.320 174.600 -0.363 0.000 1.089 483 S CA -0.736 57.303 58.200 -0.269 0.000 0.945 483 S CB 2.321 65.456 63.200 -0.109 0.000 1.077 483 S HN 0.644 nan 8.310 nan 0.000 0.485 484 Q N 0.753 120.375 119.800 -0.296 0.000 2.397 484 Q HA 0.692 5.042 4.340 0.017 0.000 0.275 484 Q C -1.338 174.462 176.000 -0.334 0.000 1.090 484 Q CA -0.830 54.771 55.803 -0.338 0.000 0.809 484 Q CB 2.583 31.081 28.738 -0.400 0.000 1.362 484 Q HN 0.516 nan 8.270 nan 0.000 0.431 485 V N 1.199 120.833 119.914 -0.466 0.000 2.513 485 V HA 0.711 4.841 4.120 0.017 0.000 0.299 485 V C -1.701 174.010 176.094 -0.639 0.000 1.035 485 V CA -0.345 61.684 62.300 -0.451 0.000 0.889 485 V CB 0.779 32.317 31.823 -0.475 0.000 0.988 485 V HN 0.637 nan 8.190 nan 0.000 0.440 486 F N 5.927 125.858 119.950 -0.031 0.000 2.508 486 F HA 0.810 5.348 4.527 0.017 0.000 0.325 486 F C -0.315 175.617 175.800 0.220 0.000 1.090 486 F CA -0.834 57.248 58.000 0.136 0.000 0.945 486 F CB 1.937 41.068 39.000 0.218 0.000 1.156 486 F HN 0.354 nan 8.300 nan 0.000 0.463 487 L N 3.532 124.890 121.223 0.225 0.000 2.370 487 L HA 0.647 4.997 4.340 0.017 0.000 0.266 487 L C -2.404 174.013 176.870 -0.755 0.000 1.002 487 L CA -2.807 51.941 54.840 -0.154 0.000 0.818 487 L CB 1.801 43.815 42.059 -0.076 0.000 1.325 487 L HN 0.276 nan 8.230 nan 0.000 0.418 488 P HA 0.354 nan 4.420 nan 0.000 0.266 488 P C -1.432 175.395 177.300 -0.789 0.000 1.195 488 P CA -0.105 62.039 63.100 -1.593 0.000 0.768 488 P CB 0.660 31.801 31.700 -0.931 0.000 0.838 489 A N 1.948 124.344 122.820 -0.706 0.000 2.459 489 A HA 0.326 4.656 4.320 0.017 0.000 0.296 489 A C 0.232 177.721 177.584 -0.158 0.000 1.039 489 A CA -0.380 51.495 52.037 -0.269 0.000 0.698 489 A CB 1.044 19.980 19.000 -0.107 0.000 1.261 489 A HN 0.468 nan 8.150 nan 0.000 0.405 490 D N 0.713 121.051 120.400 -0.103 0.000 2.366 490 D HA 0.073 4.723 4.640 0.017 0.000 0.205 490 D C -0.225 176.054 176.300 -0.035 0.000 1.022 490 D CA 0.941 54.907 54.000 -0.058 0.000 0.868 490 D CB 0.664 41.430 40.800 -0.056 0.000 0.953 490 D HN 0.763 nan 8.370 nan 0.000 0.514 491 E N -0.281 119.901 120.200 -0.031 0.000 2.340 491 E HA 0.503 4.863 4.350 0.017 0.000 0.273 491 E C 0.338 176.932 176.600 -0.011 0.000 0.891 491 E CA -0.871 55.516 56.400 -0.022 0.000 0.757 491 E CB 2.747 32.435 29.700 -0.020 0.000 1.231 491 E HN 0.052 nan 8.360 nan 0.000 0.439 492 G N 0.311 109.102 108.800 -0.016 0.000 2.693 492 G HA2 -0.291 3.679 3.960 0.017 0.000 0.226 492 G HA3 -0.291 3.679 3.960 0.017 0.000 0.226 492 G C 0.808 175.698 174.900 -0.017 0.000 1.354 492 G CA -0.259 44.833 45.100 -0.014 0.000 0.873 492 G HN 0.521 nan 8.290 nan 0.000 0.562 493 V N -1.050 118.847 119.914 -0.027 0.000 2.453 493 V HA -0.146 3.984 4.120 0.017 0.000 0.252 493 V C 2.558 178.654 176.094 0.003 0.000 1.068 493 V CA 3.074 65.329 62.300 -0.074 0.000 1.070 493 V CB -1.010 30.702 31.823 -0.185 0.000 0.664 493 V HN 0.717 nan 8.190 nan 0.000 0.461 494 E N 1.887 122.127 120.200 0.066 0.000 2.110 494 E HA -0.153 4.207 4.350 0.017 0.000 0.193 494 E C 2.443 179.118 176.600 0.125 0.000 0.988 494 E CA 1.628 58.101 56.400 0.121 0.000 0.804 494 E CB -0.533 29.223 29.700 0.094 0.000 0.745 494 E HN 0.840 nan 8.360 nan 0.000 0.458 495 S N -0.331 115.413 115.700 0.074 0.000 2.423 495 S HA -0.069 4.411 4.470 0.017 0.000 0.231 495 S C 1.957 176.628 174.600 0.117 0.000 1.014 495 S CA 1.075 59.336 58.200 0.102 0.000 0.965 495 S CB -0.156 63.066 63.200 0.037 0.000 0.785 495 S HN 0.096 nan 8.310 nan 0.000 0.495 496 S N 1.922 117.655 115.700 0.056 0.000 2.395 496 S HA 0.211 4.691 4.470 0.017 0.000 0.225 496 S C 1.792 176.436 174.600 0.073 0.000 1.027 496 S CA 0.727 58.948 58.200 0.034 0.000 0.965 496 S CB -0.417 62.772 63.200 -0.018 0.000 0.812 496 S HN 0.420 nan 8.310 nan 0.000 0.482 497 I N 1.004 121.637 120.570 0.105 0.000 2.194 497 I HA -0.240 3.940 4.170 0.017 0.000 0.246 497 I C 2.290 178.478 176.117 0.120 0.000 1.093 497 I CA 1.474 62.859 61.300 0.140 0.000 1.355 497 I CB -0.535 37.627 38.000 0.270 0.000 1.046 497 I HN 0.583 nan 8.210 nan 0.000 0.413 498 W N 1.341 122.634 121.300 -0.013 0.000 2.358 498 W HA -0.267 4.404 4.660 0.017 0.000 0.303 498 W C 2.378 178.831 176.519 -0.111 0.000 1.208 498 W CA 0.860 58.173 57.345 -0.052 0.000 1.274 498 W CB -0.171 29.272 29.460 -0.029 0.000 1.138 498 W HN 0.095 nan 8.180 nan 0.000 0.515 499 L N 0.922 122.096 121.223 -0.081 0.000 2.191 499 L HA -0.196 4.154 4.340 0.017 0.000 0.212 499 L C 2.229 179.032 176.870 -0.112 0.000 1.103 499 L CA 1.437 56.171 54.840 -0.177 0.000 0.769 499 L CB -0.983 41.030 42.059 -0.076 0.000 0.908 499 L HN -0.092 nan 8.230 nan 0.000 0.438 500 L N -0.786 120.375 121.223 -0.104 0.000 2.131 500 L HA 0.028 4.377 4.340 0.017 0.000 0.206 500 L C 2.642 179.260 176.870 -0.421 0.000 1.087 500 L CA 1.717 56.411 54.840 -0.244 0.000 0.767 500 L CB -1.597 40.367 42.059 -0.159 0.000 0.917 500 L HN 0.286 nan 8.230 nan 0.000 0.441 501 A N -0.468 122.112 122.820 -0.400 0.000 1.883 501 A HA -0.246 4.084 4.320 0.017 0.000 0.217 501 A C 2.333 179.634 177.584 -0.471 0.000 1.186 501 A CA 1.794 53.563 52.037 -0.447 0.000 0.624 501 A CB -0.420 18.242 19.000 -0.562 0.000 0.822 501 A HN 0.379 nan 8.150 nan 0.000 0.444 502 K N -0.359 119.585 120.400 -0.759 0.000 2.063 502 K HA -0.107 4.223 4.320 0.017 0.000 0.208 502 K C 2.322 178.726 176.600 -0.328 0.000 1.048 502 K CA 1.164 56.963 56.287 -0.815 0.000 0.928 502 K CB -0.394 31.343 32.500 -1.273 0.000 0.713 502 K HN 0.451 nan 8.250 nan 0.000 0.442 503 A N 0.961 123.621 122.820 -0.266 0.000 1.908 503 A HA -0.196 4.134 4.320 0.017 0.000 0.218 503 A C 1.891 179.364 177.584 -0.185 0.000 1.181 503 A CA 1.440 53.352 52.037 -0.208 0.000 0.627 503 A CB -0.808 17.988 19.000 -0.339 0.000 0.818 503 A HN 0.274 nan 8.150 nan 0.000 0.445 504 Y N -0.261 119.984 120.300 -0.091 0.000 2.224 504 Y HA -0.141 4.419 4.550 0.017 0.000 0.289 504 Y C 2.576 178.479 175.900 0.005 0.000 1.146 504 Y CA 1.031 59.130 58.100 -0.001 0.000 1.182 504 Y CB -0.845 37.613 38.460 -0.003 0.000 0.983 504 Y HN 0.104 nan 8.280 nan 0.000 0.524 505 V N -1.234 118.736 119.914 0.092 0.000 2.307 505 V HA -0.230 3.900 4.120 0.017 0.000 0.245 505 V C 2.248 178.351 176.094 0.015 0.000 1.045 505 V CA 1.530 63.872 62.300 0.071 0.000 1.024 505 V CB -0.846 31.071 31.823 0.157 0.000 0.651 505 V HN 0.214 nan 8.190 nan 0.000 0.449 506 V N -0.616 119.334 119.914 0.060 0.000 2.407 506 V HA -0.197 3.933 4.120 0.017 0.000 0.248 506 V C 2.408 178.495 176.094 -0.011 0.000 1.055 506 V CA 1.648 63.965 62.300 0.029 0.000 1.049 506 V CB -0.298 31.562 31.823 0.061 0.000 0.662 506 V HN 0.403 nan 8.190 nan 0.000 0.455 507 V N 0.248 120.166 119.914 0.007 0.000 2.515 507 V HA -0.248 3.882 4.120 0.017 0.000 0.250 507 V C 2.164 178.281 176.094 0.038 0.000 1.058 507 V CA 2.187 64.501 62.300 0.025 0.000 1.064 507 V CB -0.698 31.150 31.823 0.042 0.000 0.675 507 V HN 0.633 nan 8.190 nan 0.000 0.461 508 N N -0.325 118.394 118.700 0.032 0.000 2.106 508 N HA -0.205 4.545 4.740 0.017 0.000 0.188 508 N C 1.620 177.081 175.510 -0.081 0.000 1.029 508 N CA 1.625 54.700 53.050 0.042 0.000 0.848 508 N CB -0.051 38.383 38.487 -0.087 0.000 1.007 508 N HN 0.517 nan 8.380 nan 0.000 0.423 509 D N -0.006 120.237 120.400 -0.263 0.000 2.144 509 D HA -0.032 4.618 4.640 0.017 0.000 0.200 509 D C 1.886 178.233 176.300 0.078 0.000 0.978 509 D CA 0.882 54.802 54.000 -0.133 0.000 0.833 509 D CB 0.155 40.856 40.800 -0.165 0.000 0.961 509 D HN 0.000 nan 8.370 nan 0.000 0.470 510 S N -0.940 114.787 115.700 0.045 0.000 2.359 510 S HA -0.206 4.274 4.470 0.017 0.000 0.224 510 S C 2.164 176.790 174.600 0.043 0.000 1.035 510 S CA 0.993 59.267 58.200 0.123 0.000 1.018 510 S CB -0.562 62.754 63.200 0.193 0.000 0.876 510 S HN 0.540 nan 8.310 nan 0.000 0.448 511 C N 0.410 119.659 119.300 -0.085 0.000 2.446 511 C HA -0.047 4.423 4.460 0.017 0.000 0.277 511 C C 2.341 176.940 174.990 -0.652 0.000 1.275 511 C CA 0.616 59.344 59.018 -0.483 0.000 1.727 511 C CB -1.369 25.874 27.740 -0.828 0.000 2.010 511 C HN 0.693 nan 8.230 nan 0.000 0.486 512 Y N 0.331 120.391 120.300 -0.400 0.000 2.242 512 Y HA -0.140 4.420 4.550 0.016 0.000 0.291 512 Y C 2.596 178.495 175.900 -0.002 0.000 1.137 512 Y CA 2.296 60.336 58.100 -0.099 0.000 1.181 512 Y CB -0.952 37.687 38.460 0.299 0.000 0.989 512 Y HN 0.602 nan 8.280 nan 0.000 0.527 513 H N -0.773 118.357 119.070 0.100 0.000 2.321 513 H HA -0.209 4.356 4.556 0.016 0.000 0.300 513 H C 2.097 177.363 175.328 -0.104 0.000 1.087 513 H CA 1.695 57.770 56.048 0.046 0.000 1.319 513 H CB 0.029 29.797 29.762 0.010 0.000 1.379 513 H HN 0.397 nan 8.280 nan 0.000 0.501 514 Q N 0.399 119.904 119.800 -0.491 0.000 2.046 514 Q HA -0.077 4.273 4.340 0.017 0.000 0.200 514 Q C 2.368 178.087 176.000 -0.469 0.000 0.975 514 Q CA 1.253 56.618 55.803 -0.730 0.000 0.836 514 Q CB -0.040 27.991 28.738 -1.178 0.000 0.896 514 Q HN 0.409 nan 8.270 nan 0.000 0.428 515 L N -0.825 120.136 121.223 -0.436 0.000 2.162 515 L HA 0.005 4.355 4.340 0.017 0.000 0.205 515 L C 2.057 178.813 176.870 -0.190 0.000 1.086 515 L CA 0.917 55.597 54.840 -0.266 0.000 0.778 515 L CB -0.663 41.288 42.059 -0.180 0.000 0.928 515 L HN 0.187 nan 8.230 nan 0.000 0.446 516 V N -1.810 117.941 119.914 -0.273 0.000 2.599 516 V HA 0.005 4.135 4.120 0.017 0.000 0.237 516 V C 2.352 178.378 176.094 -0.113 0.000 1.081 516 V CA 0.999 63.133 62.300 -0.276 0.000 1.107 516 V CB 0.006 31.377 31.823 -0.753 0.000 0.808 516 V HN 0.245 nan 8.190 nan 0.000 0.486 517 S N -1.175 114.510 115.700 -0.026 0.000 2.402 517 S HA -0.101 4.379 4.470 0.017 0.000 0.229 517 S C 0.987 175.693 174.600 0.177 0.000 1.021 517 S CA 0.899 59.203 58.200 0.173 0.000 0.974 517 S CB -0.306 63.102 63.200 0.346 0.000 0.800 517 S HN 0.694 nan 8.310 nan 0.000 0.484 521 N N -0.992 117.713 118.700 0.007 0.000 2.459 521 N HA -0.035 4.715 4.740 0.017 0.000 0.181 521 N C 0.510 176.106 175.510 0.143 0.000 1.046 521 N CA 1.470 54.600 53.050 0.134 0.000 0.904 521 N CB 0.312 38.929 38.487 0.217 0.000 0.964 521 N HN 0.453 nan 8.380 nan 0.000 0.444 522 T N -1.062 113.527 114.554 0.058 0.000 3.478 522 T HA 0.090 4.450 4.350 0.017 0.000 0.223 522 T C 1.320 175.978 174.700 -0.071 0.000 0.958 522 T CA -0.105 61.999 62.100 0.006 0.000 1.324 522 T CB -0.285 68.575 68.868 -0.013 0.000 1.262 522 T HN 0.115 nan 8.240 nan 0.000 0.379 523 H N 1.536 120.510 119.070 -0.159 0.000 2.265 523 H HA -0.120 4.446 4.556 0.016 0.000 0.293 523 H C 2.455 177.733 175.328 -0.083 0.000 1.089 523 H CA 1.880 57.841 56.048 -0.145 0.000 1.244 523 H CB -0.451 29.193 29.762 -0.196 0.000 1.355 523 H HN 0.377 nan 8.280 nan 0.000 0.485 524 A N 0.546 123.376 122.820 0.015 0.000 1.897 524 A HA -0.053 4.277 4.320 0.017 0.000 0.215 524 A C 2.824 180.332 177.584 -0.126 0.000 1.181 524 A CA 1.303 53.286 52.037 -0.090 0.000 0.620 524 A CB -0.700 18.090 19.000 -0.350 0.000 0.821 524 A HN 0.215 nan 8.150 nan 0.000 0.443 525 V N -0.408 119.456 119.914 -0.084 0.000 2.548 525 V HA -0.160 3.970 4.120 0.017 0.000 0.249 525 V C 2.500 178.835 176.094 0.401 0.000 1.055 525 V CA 1.704 64.056 62.300 0.086 0.000 1.065 525 V CB -0.144 31.692 31.823 0.022 0.000 0.681 525 V HN 0.368 nan 8.190 nan 0.000 0.462 526 V N -0.263 119.829 119.914 0.296 0.000 2.453 526 V HA -0.227 3.903 4.120 0.017 0.000 0.247 526 V C 2.366 178.640 176.094 0.300 0.000 1.048 526 V CA 2.001 64.531 62.300 0.382 0.000 1.049 526 V CB -0.433 31.495 31.823 0.174 0.000 0.672 526 V HN 0.655 nan 8.190 nan 0.000 0.457 527 E N 0.538 120.805 120.200 0.112 0.000 2.114 527 E HA -0.237 4.123 4.350 0.017 0.000 0.199 527 E C -0.382 176.214 176.600 -0.007 0.000 1.008 527 E CA 1.994 58.407 56.400 0.022 0.000 0.810 527 E CB -0.720 28.984 29.700 0.006 0.000 0.739 527 E HN 0.509 nan 8.360 nan 0.000 0.456 528 P HA -0.125 nan 4.420 nan 0.000 0.220 528 P C 0.698 177.936 177.300 -0.104 0.000 1.148 528 P CA 1.090 64.137 63.100 -0.087 0.000 0.803 528 P CB -0.185 31.329 31.700 -0.310 0.000 0.782 529 F N -0.575 119.388 119.950 0.021 0.000 2.216 529 F HA -0.115 4.422 4.527 0.016 0.000 0.300 529 F C 2.290 177.960 175.800 -0.216 0.000 1.085 529 F CA 1.121 59.147 58.000 0.042 0.000 1.326 529 F CB -1.124 37.998 39.000 0.202 0.000 1.027 529 F HN -0.167 nan 8.300 nan 0.000 0.497 530 I N -0.670 119.700 120.570 -0.333 0.000 2.353 530 I HA -0.227 3.953 4.170 0.017 0.000 0.248 530 I C 2.113 178.079 176.117 -0.253 0.000 1.119 530 I CA 1.014 61.915 61.300 -0.665 0.000 1.417 530 I CB -0.370 37.291 38.000 -0.565 0.000 1.078 530 I HN 0.047 nan 8.210 nan 0.000 0.421 531 I N 0.893 121.371 120.570 -0.153 0.000 2.163 531 I HA -0.257 3.923 4.170 0.017 0.000 0.240 531 I C 2.821 178.827 176.117 -0.186 0.000 1.081 531 I CA 1.488 62.683 61.300 -0.175 0.000 1.353 531 I CB -0.552 37.217 38.000 -0.385 0.000 1.054 531 I HN 0.136 nan 8.210 nan 0.000 0.407 532 A N 0.216 123.013 122.820 -0.039 0.000 1.892 532 A HA -0.260 4.070 4.320 0.017 0.000 0.218 532 A C 2.405 180.015 177.584 0.044 0.000 1.188 532 A CA 2.762 54.834 52.037 0.058 0.000 0.631 532 A CB -1.314 17.743 19.000 0.096 0.000 0.822 532 A HN 0.431 nan 8.150 nan 0.000 0.447 533 T N 0.340 114.945 114.554 0.086 0.000 2.674 533 T HA -0.153 4.207 4.350 0.017 0.000 0.265 533 T C 1.786 176.533 174.700 0.078 0.000 1.039 533 T CA 1.862 64.061 62.100 0.164 0.000 1.150 533 T CB -0.552 68.501 68.868 0.308 0.000 0.864 533 T HN 0.667 nan 8.240 nan 0.000 0.427 534 N N 0.499 119.117 118.700 -0.137 0.000 2.223 534 N HA -0.022 4.728 4.740 0.017 0.000 0.185 534 N C 2.000 177.331 175.510 -0.299 0.000 1.016 534 N CA 0.801 53.652 53.050 -0.332 0.000 0.863 534 N CB -0.097 37.671 38.487 -1.199 0.000 0.983 534 N HN 0.310 nan 8.380 nan 0.000 0.429 535 R N -0.835 119.469 120.500 -0.326 0.000 2.115 535 R HA 0.007 4.357 4.340 0.017 0.000 0.226 535 R C 0.854 176.892 176.300 -0.438 0.000 1.100 535 R CA 0.998 56.861 56.100 -0.395 0.000 0.980 535 R CB 0.020 29.968 30.300 -0.587 0.000 0.875 535 R HN 0.428 nan 8.270 nan 0.000 0.445 536 H N -1.906 117.171 119.070 0.012 0.000 3.255 536 H HA 0.228 4.794 4.556 0.017 0.000 0.256 536 H C -0.514 174.809 175.328 -0.008 0.000 1.049 536 H CA -0.113 55.943 56.048 0.014 0.000 1.202 536 H CB 0.771 30.548 29.762 0.026 0.000 1.497 536 H HN -0.085 nan 8.280 nan 0.000 0.503 537 L N 1.355 122.647 121.223 0.116 0.000 2.313 537 L HA 0.289 4.639 4.340 0.017 0.000 0.283 537 L C 0.680 177.579 176.870 0.049 0.000 1.013 537 L CA -0.478 54.397 54.840 0.060 0.000 0.816 537 L CB 1.745 43.905 42.059 0.168 0.000 1.236 537 L HN -0.048 nan 8.230 nan 0.000 0.419 538 S N 1.555 117.240 115.700 -0.026 0.000 2.579 538 S HA 0.151 4.631 4.470 0.017 0.000 0.275 538 S C 1.636 175.975 174.600 -0.435 0.000 1.345 538 S CA -0.187 57.901 58.200 -0.186 0.000 1.031 538 S CB 0.834 63.926 63.200 -0.179 0.000 0.892 538 S HN 0.516 nan 8.310 nan 0.000 0.529 539 V N 3.533 123.015 119.914 -0.721 0.000 2.660 539 V HA -0.074 4.056 4.120 0.017 0.000 0.257 539 V C 1.790 177.610 176.094 -0.457 0.000 1.088 539 V CA 1.836 63.486 62.300 -1.082 0.000 1.106 539 V CB -1.059 30.416 31.823 -0.580 0.000 0.686 539 V HN 0.648 nan 8.190 nan 0.000 0.481 540 V N -0.132 119.612 119.914 -0.283 0.000 3.406 540 V HA 0.111 4.241 4.120 0.017 0.000 0.263 540 V C 1.256 177.298 176.094 -0.087 0.000 1.172 540 V CA 0.634 62.841 62.300 -0.155 0.000 1.140 540 V CB -1.016 30.668 31.823 -0.231 0.000 0.784 540 V HN 0.778 nan 8.190 nan 0.000 0.467 541 H N 1.839 120.855 119.070 -0.089 0.000 2.764 541 H HA 0.145 4.710 4.556 0.016 0.000 0.341 541 H C -1.222 174.108 175.328 0.003 0.000 1.072 541 H CA -1.407 54.626 56.048 -0.025 0.000 1.444 541 H CB 1.434 31.226 29.762 0.050 0.000 1.458 541 H HN -0.005 nan 8.280 nan 0.000 0.572 542 P HA -0.227 nan 4.420 nan 0.000 0.216 542 P C 1.249 178.613 177.300 0.107 0.000 1.150 542 P CA 1.114 63.940 63.100 -0.458 0.000 0.843 542 P CB 0.320 31.276 31.700 -1.240 0.000 0.787 543 I N -1.730 119.010 120.570 0.284 0.000 2.439 543 I HA -0.184 3.996 4.170 0.017 0.000 0.251 543 I C 2.544 178.861 176.117 0.333 0.000 1.139 543 I CA 0.711 62.265 61.300 0.424 0.000 1.438 543 I CB -1.871 36.433 38.000 0.507 0.000 1.085 543 I HN -0.075 nan 8.210 nan 0.000 0.427 544 Y N 2.542 123.017 120.300 0.291 0.000 2.145 544 Y HA -0.251 4.309 4.550 0.016 0.000 0.286 544 Y C 2.476 178.453 175.900 0.128 0.000 1.145 544 Y CA 1.907 60.118 58.100 0.186 0.000 1.148 544 Y CB -0.176 38.378 38.460 0.157 0.000 0.981 544 Y HN 0.080 nan 8.280 nan 0.000 0.507 545 K N -0.435 120.205 120.400 0.400 0.000 2.148 545 K HA -0.156 4.174 4.320 0.017 0.000 0.204 545 K C 1.940 178.531 176.600 -0.014 0.000 1.050 545 K CA 1.346 57.808 56.287 0.291 0.000 0.942 545 K CB -0.395 32.386 32.500 0.468 0.000 0.724 545 K HN 0.308 nan 8.250 nan 0.000 0.446 546 L N 0.917 122.087 121.223 -0.088 0.000 2.027 546 L HA -0.138 4.212 4.340 0.017 0.000 0.206 546 L C 1.800 178.543 176.870 -0.211 0.000 1.074 546 L CA 1.592 56.232 54.840 -0.334 0.000 0.745 546 L CB -0.236 41.575 42.059 -0.413 0.000 0.898 546 L HN 0.048 nan 8.230 nan 0.000 0.433 547 L N -0.960 120.141 121.223 -0.203 0.000 2.270 547 L HA -0.107 4.243 4.340 0.017 0.000 0.210 547 L C 2.495 178.930 176.870 -0.726 0.000 1.104 547 L CA 1.442 56.073 54.840 -0.348 0.000 0.804 547 L CB -1.589 40.293 42.059 -0.295 0.000 0.937 547 L HN 0.511 nan 8.230 nan 0.000 0.450 548 H N 1.507 120.164 119.070 -0.689 0.000 2.319 548 H HA -0.132 4.435 4.556 0.017 0.000 0.297 548 H C -0.674 174.353 175.328 -0.502 0.000 1.097 548 H CA 2.042 57.706 56.048 -0.639 0.000 1.285 548 H CB -0.347 29.100 29.762 -0.526 0.000 1.368 548 H HN 0.202 nan 8.280 nan 0.000 0.495 549 P HA -0.153 nan 4.420 nan 0.000 0.220 549 P C 0.768 177.638 177.300 -0.716 0.000 1.148 549 P CA 1.364 64.025 63.100 -0.733 0.000 0.803 549 P CB -0.261 30.977 31.700 -0.769 0.000 0.782 550 H N -2.145 116.705 119.070 -0.367 0.000 2.556 550 H HA 0.021 4.586 4.556 0.016 0.000 0.268 550 H C 0.716 176.017 175.328 -0.044 0.000 0.996 550 H CA 0.692 56.596 56.048 -0.239 0.000 1.157 550 H CB -0.244 29.401 29.762 -0.195 0.000 1.355 550 H HN 0.260 nan 8.280 nan 0.000 0.597 551 Y N 0.310 120.551 120.300 -0.098 0.000 2.467 551 Y HA 0.163 4.722 4.550 0.016 0.000 0.250 551 Y C 1.317 177.156 175.900 -0.101 0.000 1.155 551 Y CA -0.916 57.160 58.100 -0.039 0.000 1.249 551 Y CB -0.023 38.460 38.460 0.038 0.000 1.146 551 Y HN -0.032 nan 8.280 nan 0.000 0.524 552 R N 1.913 122.339 120.500 -0.123 0.000 2.473 552 R HA -0.079 4.270 4.340 0.017 0.000 0.315 552 R C 0.032 176.136 176.300 -0.326 0.000 0.972 552 R CA 0.892 56.753 56.100 -0.397 0.000 1.047 552 R CB -0.194 29.704 30.300 -0.670 0.000 0.932 552 R HN 0.294 nan 8.270 nan 0.000 0.411 553 D N 1.764 122.049 120.400 -0.193 0.000 2.978 553 D HA -0.179 4.470 4.640 0.017 0.000 0.205 553 D C 0.534 176.873 176.300 0.065 0.000 1.093 553 D CA 2.049 56.072 54.000 0.038 0.000 1.006 553 D CB -0.687 40.076 40.800 -0.063 0.000 1.116 553 D HN 0.761 nan 8.370 nan 0.000 0.419 554 T N -0.812 113.766 114.554 0.040 0.000 2.708 554 T HA -0.107 4.253 4.350 0.017 0.000 0.266 554 T C 2.055 176.787 174.700 0.053 0.000 1.037 554 T CA 1.536 63.648 62.100 0.020 0.000 1.146 554 T CB -0.163 68.703 68.868 -0.004 0.000 0.865 554 T HN 0.316 nan 8.240 nan 0.000 0.435 555 M N 1.146 120.781 119.600 0.060 0.000 2.296 555 M HA -0.072 4.418 4.480 0.017 0.000 0.265 555 M C 2.382 178.693 176.300 0.019 0.000 1.064 555 M CA 1.030 56.344 55.300 0.023 0.000 1.109 555 M CB -0.517 32.083 32.600 -0.001 0.000 1.396 555 M HN 0.344 nan 8.290 nan 0.000 0.430 556 N N 0.984 119.721 118.700 0.061 0.000 2.080 556 N HA -0.175 4.574 4.740 0.017 0.000 0.189 556 N C 1.775 177.331 175.510 0.076 0.000 1.036 556 N CA 1.183 54.276 53.050 0.071 0.000 0.846 556 N CB 0.044 38.617 38.487 0.143 0.000 1.015 556 N HN 0.220 nan 8.380 nan 0.000 0.423 557 I N 1.743 122.371 120.570 0.097 0.000 2.394 557 I HA -0.177 4.003 4.170 0.017 0.000 0.251 557 I C 1.393 177.560 176.117 0.084 0.000 1.136 557 I CA 1.385 62.750 61.300 0.109 0.000 1.425 557 I CB -0.344 37.751 38.000 0.158 0.000 1.079 557 I HN 0.137 nan 8.210 nan 0.000 0.425 558 N N 1.058 119.814 118.700 0.092 0.000 2.216 558 N HA -0.032 4.718 4.740 0.017 0.000 0.183 558 N C 1.930 177.454 175.510 0.024 0.000 1.017 558 N CA 1.329 54.421 53.050 0.069 0.000 0.861 558 N CB -1.006 37.536 38.487 0.093 0.000 0.986 558 N HN 0.530 nan 8.380 nan 0.000 0.428 559 G N 1.221 110.022 108.800 0.003 0.000 2.418 559 G HA2 -0.200 3.769 3.960 0.017 0.000 0.217 559 G HA3 -0.200 3.769 3.960 0.017 0.000 0.217 559 G C 1.547 176.442 174.900 -0.008 0.000 1.158 559 G CA 0.579 45.664 45.100 -0.025 0.000 0.771 559 G HN 0.289 nan 8.290 nan 0.000 0.545 560 L N 1.084 122.314 121.223 0.012 0.000 2.141 560 L HA 0.262 4.612 4.340 0.017 0.000 0.209 560 L C 2.962 179.834 176.870 0.003 0.000 1.094 560 L CA 1.975 56.823 54.840 0.013 0.000 0.763 560 L CB -0.420 41.658 42.059 0.033 0.000 0.908 560 L HN 0.205 nan 8.230 nan 0.000 0.437 561 A N -0.357 122.461 122.820 -0.004 0.000 1.969 561 A HA -0.153 4.177 4.320 0.017 0.000 0.218 561 A C 2.364 179.951 177.584 0.006 0.000 1.169 561 A CA 1.341 53.365 52.037 -0.021 0.000 0.635 561 A CB -0.494 18.460 19.000 -0.077 0.000 0.810 561 A HN 0.491 nan 8.150 nan 0.000 0.445 562 R N -1.106 119.408 120.500 0.023 0.000 2.096 562 R HA -0.116 4.233 4.340 0.017 0.000 0.235 562 R C 2.058 178.364 176.300 0.010 0.000 1.127 562 R CA 1.485 57.604 56.100 0.032 0.000 0.968 562 R CB -0.563 29.738 30.300 0.001 0.000 0.861 562 R HN 0.511 nan 8.270 nan 0.000 0.440 563 L N 0.071 121.293 121.223 -0.001 0.000 2.109 563 L HA 0.020 4.370 4.340 0.017 0.000 0.207 563 L C 0.390 177.258 176.870 -0.003 0.000 1.086 563 L CA 1.457 56.294 54.840 -0.005 0.000 0.760 563 L CB 0.240 42.293 42.059 -0.010 0.000 0.910 563 L HN -0.073 nan 8.230 nan 0.000 0.437 567 N N 0.125 118.818 118.700 -0.012 0.000 2.476 567 N HA 0.155 4.905 4.740 0.017 0.000 0.275 567 N C 0.985 176.480 175.510 -0.025 0.000 1.190 567 N CA 0.447 53.491 53.050 -0.011 0.000 0.977 567 N CB 1.408 39.896 38.487 0.002 0.000 1.200 567 N HN 0.314 nan 8.380 nan 0.000 0.515 568 D N 0.956 121.341 120.400 -0.025 0.000 2.204 568 D HA -0.212 4.438 4.640 0.017 0.000 0.189 568 D C 1.537 177.804 176.300 -0.055 0.000 1.006 568 D CA 2.376 56.347 54.000 -0.048 0.000 0.855 568 D CB -0.707 40.084 40.800 -0.015 0.000 0.946 568 D HN 0.731 nan 8.370 nan 0.000 0.448 569 G N -0.795 107.997 108.800 -0.012 0.000 3.026 569 G HA2 0.310 4.280 3.960 0.017 0.000 0.208 569 G HA3 0.310 4.280 3.960 0.017 0.000 0.208 569 G C 0.758 175.648 174.900 -0.016 0.000 1.169 569 G CA 0.129 45.214 45.100 -0.026 0.000 0.788 569 G HN 0.547 nan 8.290 nan 0.000 0.533 570 G N -0.495 108.298 108.800 -0.013 0.000 2.570 570 G HA2 0.251 4.221 3.960 0.017 0.000 0.276 570 G HA3 0.251 4.221 3.960 0.017 0.000 0.276 570 G C 1.336 176.244 174.900 0.014 0.000 1.346 570 G CA 0.347 45.448 45.100 0.002 0.000 1.034 570 G HN 0.468 nan 8.290 nan 0.000 0.512 571 V N -0.658 119.271 119.914 0.025 0.000 2.548 571 V HA -0.064 4.066 4.120 0.017 0.000 0.249 571 V C 2.522 178.668 176.094 0.088 0.000 1.055 571 V CA 1.561 63.883 62.300 0.037 0.000 1.065 571 V CB -0.524 31.320 31.823 0.035 0.000 0.681 571 V HN 0.476 nan 8.190 nan 0.000 0.462 572 I N 0.935 121.574 120.570 0.117 0.000 2.202 572 I HA -0.122 4.058 4.170 0.017 0.000 0.242 572 I C 2.627 178.854 176.117 0.184 0.000 1.091 572 I CA 1.769 63.203 61.300 0.224 0.000 1.368 572 I CB -0.782 37.255 38.000 0.062 0.000 1.058 572 I HN 0.383 nan 8.210 nan 0.000 0.410 573 E N 0.086 120.327 120.200 0.069 0.000 2.085 573 E HA -0.267 4.093 4.350 0.017 0.000 0.194 573 E C 2.041 178.657 176.600 0.027 0.000 0.994 573 E CA 1.156 57.575 56.400 0.032 0.000 0.801 573 E CB -0.196 29.486 29.700 -0.030 0.000 0.743 573 E HN 0.600 nan 8.360 nan 0.000 0.453 574 Q N -0.548 119.261 119.800 0.014 0.000 2.488 574 Q HA -0.047 4.303 4.340 0.017 0.000 0.211 574 Q C 1.224 177.195 176.000 -0.048 0.000 0.967 574 Q CA 0.906 56.706 55.803 -0.005 0.000 0.926 574 Q CB 0.379 29.120 28.738 0.007 0.000 0.992 574 Q HN 0.166 nan 8.270 nan 0.000 0.506 575 T N -0.949 113.560 114.554 -0.076 0.000 3.028 575 T HA 0.158 4.518 4.350 0.017 0.000 0.250 575 T C -0.057 174.352 174.700 -0.484 0.000 0.979 575 T CA -0.011 61.899 62.100 -0.316 0.000 1.004 575 T CB 0.294 68.863 68.868 -0.499 0.000 1.120 575 T HN -0.036 nan 8.240 nan 0.000 0.482 576 F N 0.854 120.765 119.950 -0.066 0.000 2.403 576 F HA 0.469 5.006 4.527 0.016 0.000 0.326 576 F C 1.151 176.911 175.800 -0.066 0.000 1.081 576 F CA -1.215 56.724 58.000 -0.103 0.000 1.041 576 F CB 0.718 39.615 39.000 -0.172 0.000 1.234 576 F HN -0.161 nan 8.300 nan 0.000 0.503 577 L N 1.511 122.785 121.223 0.086 0.000 2.013 577 L HA -0.209 4.141 4.340 0.017 0.000 0.212 577 L C 1.603 178.654 176.870 0.301 0.000 1.073 577 L CA 1.911 56.827 54.840 0.128 0.000 0.753 577 L CB -0.496 41.634 42.059 0.119 0.000 0.890 577 L HN 0.603 nan 8.230 nan 0.000 0.432 578 W N 0.637 122.025 121.300 0.147 0.000 2.961 578 W HA 0.287 4.957 4.660 0.018 0.000 0.240 578 W C 1.755 178.352 176.519 0.130 0.000 1.305 578 W CA 0.463 57.885 57.345 0.129 0.000 1.465 578 W CB -2.061 27.443 29.460 0.072 0.000 1.135 578 W HN 0.409 nan 8.180 nan 0.000 0.688 579 G N 2.244 111.213 108.800 0.282 0.000 2.684 579 G HA2 -0.458 3.512 3.960 0.017 0.000 0.332 579 G HA3 -0.458 3.512 3.960 0.017 0.000 0.332 579 G C 1.385 176.296 174.900 0.018 0.000 1.306 579 G CA 1.938 47.118 45.100 0.133 0.000 1.002 579 G HN 0.402 nan 8.290 nan 0.000 0.545 580 R N -0.183 120.213 120.500 -0.172 0.000 2.293 580 R HA 0.025 4.375 4.340 0.017 0.000 0.219 580 R C 1.774 177.772 176.300 -0.503 0.000 1.091 580 R CA 2.336 58.185 56.100 -0.417 0.000 1.004 580 R CB -0.322 29.622 30.300 -0.593 0.000 0.865 580 R HN 0.629 nan 8.270 nan 0.000 0.469 581 Y N 0.201 120.491 120.300 -0.017 0.000 2.507 581 Y HA 0.356 4.916 4.550 0.017 0.000 0.254 581 Y C 1.963 177.753 175.900 -0.183 0.000 1.171 581 Y CA -0.326 57.674 58.100 -0.165 0.000 1.238 581 Y CB 0.634 38.927 38.460 -0.277 0.000 1.148 581 Y HN 0.023 nan 8.280 nan 0.000 0.525 582 S N 0.161 115.924 115.700 0.104 0.000 2.359 582 S HA -0.192 4.288 4.470 0.017 0.000 0.222 582 S C 2.110 176.758 174.600 0.080 0.000 1.038 582 S CA 2.090 60.422 58.200 0.219 0.000 1.051 582 S CB -0.539 62.743 63.200 0.136 0.000 0.944 582 S HN 0.300 nan 8.310 nan 0.000 0.433 583 V N 1.644 121.499 119.914 -0.099 0.000 2.407 583 V HA -0.103 4.027 4.120 0.017 0.000 0.245 583 V C 2.152 178.022 176.094 -0.373 0.000 1.041 583 V CA 1.515 63.682 62.300 -0.222 0.000 1.040 583 V CB -0.909 30.744 31.823 -0.284 0.000 0.671 583 V HN 0.445 nan 8.190 nan 0.000 0.455 584 E N 0.448 120.365 120.200 -0.471 0.000 2.118 584 E HA -0.222 4.138 4.350 0.017 0.000 0.195 584 E C 2.181 178.524 176.600 -0.430 0.000 0.992 584 E CA 1.570 57.509 56.400 -0.769 0.000 0.804 584 E CB -0.355 28.746 29.700 -0.998 0.000 0.741 584 E HN 0.527 nan 8.360 nan 0.000 0.458 585 M N 0.849 120.230 119.600 -0.366 0.000 2.213 585 M HA -0.154 4.335 4.480 0.017 0.000 0.263 585 M C 2.519 178.746 176.300 -0.122 0.000 1.062 585 M CA 1.541 56.626 55.300 -0.359 0.000 1.105 585 M CB -0.337 31.812 32.600 -0.752 0.000 1.385 585 M HN 0.136 nan 8.290 nan 0.000 0.417 586 S N 0.496 116.200 115.700 0.006 0.000 2.428 586 S HA -0.007 4.473 4.470 0.017 0.000 0.230 586 S C 2.038 176.780 174.600 0.236 0.000 1.014 586 S CA 0.812 59.093 58.200 0.135 0.000 0.957 586 S CB -0.412 62.876 63.200 0.147 0.000 0.784 586 S HN 0.430 nan 8.310 nan 0.000 0.499 587 A N 1.519 124.436 122.820 0.162 0.000 1.930 587 A HA 0.112 4.441 4.320 0.017 0.000 0.217 587 A C 2.372 180.195 177.584 0.398 0.000 1.175 587 A CA 1.512 53.760 52.037 0.352 0.000 0.627 587 A CB -1.043 18.022 19.000 0.108 0.000 0.815 587 A HN 0.464 nan 8.150 nan 0.000 0.443 588 V N -0.295 119.804 119.914 0.308 0.000 2.295 588 V HA -0.231 3.899 4.120 0.017 0.000 0.246 588 V C 2.552 178.784 176.094 0.230 0.000 1.049 588 V CA 1.958 64.421 62.300 0.270 0.000 1.024 588 V CB -0.880 31.077 31.823 0.222 0.000 0.648 588 V HN 0.362 nan 8.190 nan 0.000 0.447 589 V N -0.667 119.368 119.914 0.202 0.000 2.392 589 V HA -0.319 3.811 4.120 0.017 0.000 0.249 589 V C 2.267 178.530 176.094 0.281 0.000 1.059 589 V CA 2.451 64.880 62.300 0.215 0.000 1.051 589 V CB -0.896 31.035 31.823 0.179 0.000 0.658 589 V HN 0.700 nan 8.190 nan 0.000 0.455 590 Y N 1.390 121.806 120.300 0.192 0.000 2.465 590 Y HA -0.216 4.344 4.550 0.017 0.000 0.289 590 Y C 2.268 178.330 175.900 0.270 0.000 1.150 590 Y CA 1.392 59.618 58.100 0.210 0.000 1.293 590 Y CB -0.352 38.189 38.460 0.135 0.000 0.977 590 Y HN 0.245 nan 8.280 nan 0.000 0.556 591 K N -0.311 120.227 120.400 0.230 0.000 2.281 591 K HA -0.164 4.166 4.320 0.017 0.000 0.203 591 K C 0.764 177.421 176.600 0.094 0.000 1.046 591 K CA 1.437 57.801 56.287 0.130 0.000 0.938 591 K CB -0.050 32.538 32.500 0.146 0.000 0.737 591 K HN 0.357 nan 8.250 nan 0.000 0.458 592 D N -0.928 119.543 120.400 0.119 0.000 2.369 592 D HA -0.022 4.628 4.640 0.017 0.000 0.211 592 D C -0.318 176.013 176.300 0.050 0.000 1.077 592 D CA -0.087 53.963 54.000 0.084 0.000 0.842 592 D CB -0.027 40.831 40.800 0.096 0.000 0.947 592 D HN 0.177 nan 8.370 nan 0.000 0.509 593 W N 2.315 123.527 121.300 -0.146 0.000 2.303 593 W HA 0.245 4.915 4.660 0.017 0.000 0.318 593 W C -0.376 175.901 176.519 -0.404 0.000 1.362 593 W CA -0.450 56.777 57.345 -0.196 0.000 1.234 593 W CB 0.679 30.078 29.460 -0.103 0.000 1.248 593 W HN -0.294 nan 8.180 nan 0.000 0.546 594 V N 9.735 128.904 119.914 -1.242 0.000 2.407 594 V HA 0.232 4.362 4.120 0.017 0.000 0.291 594 V C 0.523 175.374 176.094 -2.071 0.000 1.018 594 V CA -0.789 60.315 62.300 -1.993 0.000 0.842 594 V CB 0.719 31.406 31.823 -1.894 0.000 0.996 594 V HN 0.736 nan 8.190 nan 0.000 0.426 595 F N 4.899 123.322 119.950 -2.545 0.000 2.085 595 F HA -0.218 4.319 4.527 0.016 0.000 0.299 595 F C 2.242 177.627 175.800 -0.692 0.000 1.096 595 F CA 3.154 60.316 58.000 -1.397 0.000 1.227 595 F CB -0.319 38.277 39.000 -0.673 0.000 0.983 595 F HN 0.720 nan 8.300 nan 0.000 0.482 596 T N -3.219 110.880 114.554 -0.758 0.000 3.055 596 T HA -0.052 4.308 4.350 0.017 0.000 0.265 596 T C 1.264 175.652 174.700 -0.520 0.000 1.111 596 T CA 0.952 62.737 62.100 -0.525 0.000 1.118 596 T CB -0.385 68.359 68.868 -0.205 0.000 0.909 596 T HN 0.179 nan 8.240 nan 0.000 0.501 597 D N 1.099 121.131 120.400 -0.613 0.000 2.349 597 D HA 0.046 4.696 4.640 0.017 0.000 0.224 597 D C 1.980 178.044 176.300 -0.394 0.000 1.029 597 D CA 0.255 53.973 54.000 -0.470 0.000 0.879 597 D CB 0.015 40.547 40.800 -0.447 0.000 0.906 597 D HN 0.313 nan 8.370 nan 0.000 0.528 598 Q N 0.415 119.954 119.800 -0.435 0.000 2.269 598 Q HA 0.143 4.493 4.340 0.017 0.000 0.201 598 Q C 0.795 176.646 176.000 -0.248 0.000 0.946 598 Q CA 0.122 55.798 55.803 -0.212 0.000 0.877 598 Q CB -0.243 28.435 28.738 -0.100 0.000 0.963 598 Q HN 0.173 nan 8.270 nan 0.000 0.472 599 A N 1.382 123.924 122.820 -0.463 0.000 2.540 599 A HA 0.008 4.338 4.320 0.017 0.000 0.239 599 A C 1.253 178.181 177.584 -1.093 0.000 1.061 599 A CA -0.117 51.398 52.037 -0.870 0.000 0.758 599 A CB 0.098 18.689 19.000 -0.682 0.000 0.991 599 A HN 0.285 nan 8.150 nan 0.000 0.502 600 L N 4.169 124.350 121.223 -1.738 0.000 2.042 600 L HA -0.039 4.311 4.340 0.017 0.000 0.210 600 L C -0.656 175.702 176.870 -0.854 0.000 1.076 600 L CA 2.572 56.710 54.840 -1.171 0.000 0.749 600 L CB -1.094 40.120 42.059 -1.407 0.000 0.893 600 L HN 0.563 nan 8.230 nan 0.000 0.432 601 P HA -0.124 nan 4.420 nan 0.000 0.216 601 P C 1.509 178.569 177.300 -0.401 0.000 1.153 601 P CA 2.002 64.745 63.100 -0.595 0.000 0.848 601 P CB -0.231 31.139 31.700 -0.551 0.000 0.787 602 A N 0.297 122.857 122.820 -0.434 0.000 1.933 602 A HA -0.233 4.097 4.320 0.017 0.000 0.218 602 A C 2.216 179.646 177.584 -0.257 0.000 1.175 602 A CA 2.204 54.058 52.037 -0.305 0.000 0.628 602 A CB -1.668 17.138 19.000 -0.323 0.000 0.814 602 A HN 0.186 nan 8.150 nan 0.000 0.444 603 D N -0.635 119.594 120.400 -0.285 0.000 2.117 603 D HA -0.132 4.518 4.640 0.017 0.000 0.197 603 D C 1.668 177.913 176.300 -0.093 0.000 0.987 603 D CA 0.968 54.870 54.000 -0.164 0.000 0.829 603 D CB -0.121 40.611 40.800 -0.113 0.000 0.961 603 D HN 0.188 nan 8.370 nan 0.000 0.460 604 L N 0.423 121.571 121.223 -0.125 0.000 2.109 604 L HA 0.028 4.378 4.340 0.017 0.000 0.207 604 L C 2.391 179.241 176.870 -0.032 0.000 1.086 604 L CA 1.078 55.887 54.840 -0.052 0.000 0.760 604 L CB -0.945 41.045 42.059 -0.114 0.000 0.910 604 L HN 0.239 nan 8.230 nan 0.000 0.437 605 I N -0.669 119.853 120.570 -0.080 0.000 2.286 605 I HA -0.276 3.904 4.170 0.017 0.000 0.245 605 I C 2.518 178.607 176.117 -0.045 0.000 1.104 605 I CA 0.970 62.235 61.300 -0.057 0.000 1.397 605 I CB -0.335 37.617 38.000 -0.080 0.000 1.072 605 I HN 0.231 nan 8.210 nan 0.000 0.417 606 K N 1.542 121.901 120.400 -0.067 0.000 2.147 606 K HA -0.146 4.184 4.320 0.017 0.000 0.205 606 K C 2.018 178.607 176.600 -0.018 0.000 1.049 606 K CA 1.398 57.652 56.287 -0.055 0.000 0.936 606 K CB 0.041 32.488 32.500 -0.089 0.000 0.722 606 K HN 0.226 nan 8.250 nan 0.000 0.446 607 R N -0.926 119.577 120.500 0.005 0.000 2.313 607 R HA 0.067 4.417 4.340 0.017 0.000 0.199 607 R C 0.975 177.313 176.300 0.063 0.000 0.958 607 R CA 0.567 56.692 56.100 0.042 0.000 1.047 607 R CB 0.331 30.676 30.300 0.075 0.000 0.955 607 R HN 0.482 nan 8.270 nan 0.000 0.481 608 G N 0.353 109.181 108.800 0.047 0.000 2.148 608 G HA2 -0.250 3.720 3.960 0.017 0.000 0.254 608 G HA3 -0.250 3.720 3.960 0.017 0.000 0.254 608 G C 0.763 175.728 174.900 0.109 0.000 0.981 608 G CA 0.223 45.356 45.100 0.055 0.000 0.670 608 G HN 0.115 nan 8.290 nan 0.000 0.528 609 M N -0.174 119.505 119.600 0.132 0.000 2.509 609 M HA 0.555 5.045 4.480 0.017 0.000 0.250 609 M C 1.150 177.535 176.300 0.142 0.000 1.132 609 M CA 0.865 56.283 55.300 0.198 0.000 1.080 609 M CB -0.284 32.483 32.600 0.278 0.000 1.408 609 M HN 0.993 nan 8.290 nan 0.000 0.484 610 A N 1.103 123.964 122.820 0.068 0.000 2.556 610 A HA 0.833 5.163 4.320 0.017 0.000 0.294 610 A C -0.991 176.598 177.584 0.009 0.000 1.091 610 A CA -0.795 51.258 52.037 0.027 0.000 0.704 610 A CB 1.730 20.716 19.000 -0.022 0.000 1.300 610 A HN 0.307 nan 8.150 nan 0.000 0.406 611 I N -2.000 118.571 120.570 0.002 0.000 2.647 611 I HA 0.577 4.757 4.170 0.017 0.000 0.295 611 I C -0.250 175.859 176.117 -0.014 0.000 1.078 611 I CA -0.516 60.780 61.300 -0.006 0.000 1.048 611 I CB 1.983 39.983 38.000 0.001 0.000 1.239 611 I HN 0.620 nan 8.210 nan 0.000 0.421 612 E N 3.498 123.687 120.200 -0.019 0.000 2.465 612 E HA 0.042 4.402 4.350 0.017 0.000 0.260 612 E C -1.039 175.554 176.600 -0.012 0.000 0.980 612 E CA 0.819 57.207 56.400 -0.019 0.000 0.927 612 E CB 0.524 30.212 29.700 -0.020 0.000 0.934 612 E HN 0.563 nan 8.360 nan 0.000 0.459 613 D N 3.935 124.329 120.400 -0.011 0.000 2.452 613 D HA 0.164 4.814 4.640 0.017 0.000 0.226 613 D C -2.338 173.954 176.300 -0.012 0.000 1.366 613 D CA -1.770 52.224 54.000 -0.010 0.000 0.986 613 D CB 1.482 42.276 40.800 -0.009 0.000 1.420 613 D HN 0.007 nan 8.370 nan 0.000 0.583 614 P HA -0.018 nan 4.420 nan 0.000 0.226 614 P C 1.201 178.490 177.300 -0.019 0.000 1.153 614 P CA 0.514 63.606 63.100 -0.013 0.000 0.777 614 P CB 0.415 32.108 31.700 -0.011 0.000 0.794 615 S N -1.343 114.345 115.700 -0.020 0.000 2.400 615 S HA -0.111 4.368 4.470 0.017 0.000 0.232 615 S C 1.099 175.676 174.600 -0.038 0.000 1.025 615 S CA 0.736 58.921 58.200 -0.025 0.000 0.993 615 S CB -0.866 62.321 63.200 -0.021 0.000 0.808 615 S HN 0.233 nan 8.310 nan 0.000 0.478 616 C N 1.745 121.019 119.300 -0.042 0.000 2.364 616 C HA 0.346 4.816 4.460 0.017 0.000 0.356 616 C C -0.698 174.225 174.990 -0.112 0.000 1.201 616 C CA -1.641 57.337 59.018 -0.067 0.000 2.227 616 C CB 0.659 28.371 27.740 -0.047 0.000 2.387 616 C HN 0.280 nan 8.230 nan 0.000 0.546 617 P HA -0.188 nan 4.420 nan 0.000 0.222 617 P C 0.220 177.252 177.300 -0.446 0.000 1.155 617 P CA 1.898 64.770 63.100 -0.378 0.000 0.890 617 P CB -0.098 31.268 31.700 -0.557 0.000 0.790 618 H N -3.608 115.451 119.070 -0.018 0.000 2.549 618 H HA 0.487 5.053 4.556 0.017 0.000 0.253 618 H C 1.168 176.485 175.328 -0.019 0.000 1.170 618 H CA 0.103 56.145 56.048 -0.010 0.000 0.943 618 H CB -0.018 29.739 29.762 -0.008 0.000 1.849 618 H HN 0.098 nan 8.280 nan 0.000 0.603 619 G N 1.700 110.523 108.800 0.038 0.000 2.166 619 G HA2 -0.291 3.679 3.960 0.017 0.000 0.260 619 G HA3 -0.291 3.679 3.960 0.017 0.000 0.260 619 G C 0.235 175.140 174.900 0.008 0.000 0.986 619 G CA 0.737 45.847 45.100 0.016 0.000 0.683 619 G HN 0.549 nan 8.290 nan 0.000 0.527 620 I N -3.032 117.549 120.570 0.019 0.000 2.619 620 I HA 0.762 4.942 4.170 0.017 0.000 0.292 620 I C -0.448 175.672 176.117 0.005 0.000 1.100 620 I CA -1.549 59.752 61.300 0.002 0.000 1.043 620 I CB 2.079 40.067 38.000 -0.021 0.000 1.239 620 I HN 0.074 nan 8.210 nan 0.000 0.420 621 R N 5.891 126.391 120.500 -0.000 0.000 2.295 621 R HA 0.664 5.014 4.340 0.017 0.000 0.324 621 R C -1.524 174.786 176.300 0.016 0.000 0.968 621 R CA -0.597 55.507 56.100 0.005 0.000 0.837 621 R CB 1.497 31.799 30.300 0.004 0.000 1.133 621 R HN 0.791 nan 8.270 nan 0.000 0.450 622 L N 5.160 126.398 121.223 0.025 0.000 2.349 622 L HA 0.283 4.633 4.340 0.017 0.000 0.275 622 L C 0.500 177.414 176.870 0.073 0.000 1.115 622 L CA -0.719 54.151 54.840 0.049 0.000 0.820 622 L CB 1.473 43.561 42.059 0.048 0.000 1.135 622 L HN 0.503 nan 8.230 nan 0.000 0.445 623 V N 4.284 124.266 119.914 0.113 0.000 2.785 623 V HA 0.404 4.534 4.120 0.017 0.000 0.300 623 V C 0.433 176.609 176.094 0.136 0.000 1.062 623 V CA -0.693 61.694 62.300 0.144 0.000 1.029 623 V CB 1.053 32.987 31.823 0.184 0.000 1.024 623 V HN 0.696 nan 8.190 nan 0.000 0.477 624 I N 2.413 123.038 120.570 0.092 0.000 8.030 624 I HA -0.219 3.961 4.170 0.017 0.000 0.126 624 I C 1.100 177.251 176.117 0.056 0.000 1.796 624 I CA 0.845 62.143 61.300 -0.004 0.000 2.138 624 I CB -1.016 36.875 38.000 -0.182 0.000 3.659 624 I HN 0.857 nan 8.210 nan 0.000 0.199 625 E N 3.568 123.787 120.200 0.032 0.000 2.107 625 E HA -0.160 4.200 4.350 0.017 0.000 0.191 625 E C 0.534 177.159 176.600 0.040 0.000 0.982 625 E CA 1.651 58.071 56.400 0.034 0.000 0.809 625 E CB -0.021 29.689 29.700 0.016 0.000 0.756 625 E HN 0.853 nan 8.360 nan 0.000 0.459 626 D N 0.433 120.849 120.400 0.027 0.000 2.741 626 D HA -0.037 4.613 4.640 0.017 0.000 0.233 626 D C -0.761 175.573 176.300 0.057 0.000 1.160 626 D CA -0.240 53.776 54.000 0.026 0.000 1.003 626 D CB -0.173 40.628 40.800 0.001 0.000 1.064 626 D HN 0.016 nan 8.370 nan 0.000 0.503 627 Y N 1.578 121.824 120.300 -0.091 0.000 2.587 627 Y HA 0.337 4.897 4.550 0.016 0.000 0.328 627 Y C -2.093 173.734 175.900 -0.122 0.000 0.980 627 Y CA -3.600 54.433 58.100 -0.111 0.000 1.272 627 Y CB 1.334 39.738 38.460 -0.093 0.000 1.094 627 Y HN 0.017 nan 8.280 nan 0.000 0.503 628 P HA -0.274 nan 4.420 nan 0.000 0.216 628 P C 1.395 178.533 177.300 -0.269 0.000 1.157 628 P CA 1.866 64.829 63.100 -0.230 0.000 0.880 628 P CB -0.099 31.298 31.700 -0.504 0.000 0.791 629 Y N 0.091 120.151 120.300 -0.400 0.000 2.114 629 Y HA -0.232 4.328 4.550 0.016 0.000 0.282 629 Y C 2.319 178.123 175.900 -0.159 0.000 1.165 629 Y CA 2.209 60.239 58.100 -0.117 0.000 1.148 629 Y CB -1.312 37.151 38.460 0.006 0.000 0.972 629 Y HN -0.108 nan 8.280 nan 0.000 0.504 630 T N -0.373 113.707 114.554 -0.790 0.000 2.812 630 T HA -0.099 4.261 4.350 0.017 0.000 0.264 630 T C 2.008 176.419 174.700 -0.482 0.000 1.042 630 T CA 1.585 63.158 62.100 -0.880 0.000 1.140 630 T CB -0.517 67.593 68.868 -1.262 0.000 0.870 630 T HN 0.216 nan 8.240 nan 0.000 0.445 631 V N 1.662 121.394 119.914 -0.303 0.000 2.427 631 V HA -0.102 4.028 4.120 0.017 0.000 0.248 631 V C 2.147 178.197 176.094 -0.073 0.000 1.051 631 V CA 1.617 63.844 62.300 -0.123 0.000 1.048 631 V CB -0.475 31.325 31.823 -0.037 0.000 0.666 631 V HN 0.390 nan 8.190 nan 0.000 0.456 632 D N 0.855 121.225 120.400 -0.049 0.000 2.162 632 D HA -0.015 4.635 4.640 0.017 0.000 0.203 632 D C 2.258 178.562 176.300 0.008 0.000 0.967 632 D CA 1.385 55.408 54.000 0.038 0.000 0.840 632 D CB -0.591 40.309 40.800 0.168 0.000 0.972 632 D HN 0.417 nan 8.370 nan 0.000 0.482 633 G N 0.688 109.441 108.800 -0.079 0.000 2.448 633 G HA2 -0.181 3.789 3.960 0.017 0.000 0.219 633 G HA3 -0.181 3.789 3.960 0.017 0.000 0.219 633 G C 1.430 176.289 174.900 -0.069 0.000 1.127 633 G CA 0.223 45.333 45.100 0.016 0.000 0.766 633 G HN 0.154 nan 8.290 nan 0.000 0.552 634 L N 0.741 121.810 121.223 -0.258 0.000 2.141 634 L HA 0.048 4.397 4.340 0.017 0.000 0.209 634 L C 2.691 179.330 176.870 -0.385 0.000 1.094 634 L CA 1.126 55.714 54.840 -0.421 0.000 0.763 634 L CB -0.807 40.848 42.059 -0.673 0.000 0.908 634 L HN 0.242 nan 8.230 nan 0.000 0.437 635 E N -0.410 119.671 120.200 -0.197 0.000 2.047 635 E HA -0.169 4.191 4.350 0.017 0.000 0.191 635 E C 2.264 178.890 176.600 0.043 0.000 0.987 635 E CA 0.910 57.294 56.400 -0.027 0.000 0.799 635 E CB 0.025 29.760 29.700 0.057 0.000 0.752 635 E HN 0.333 nan 8.360 nan 0.000 0.449 636 I N 0.684 121.321 120.570 0.112 0.000 2.252 636 I HA -0.230 3.950 4.170 0.017 0.000 0.245 636 I C 2.410 178.676 176.117 0.248 0.000 1.102 636 I CA 0.833 62.255 61.300 0.203 0.000 1.385 636 I CB -1.132 37.038 38.000 0.284 0.000 1.064 636 I HN 0.331 nan 8.210 nan 0.000 0.414 637 W N 2.816 124.154 121.300 0.063 0.000 2.317 637 W HA -0.299 4.371 4.660 0.016 0.000 0.318 637 W C 1.994 178.473 176.519 -0.067 0.000 1.227 637 W CA 2.005 59.275 57.345 -0.124 0.000 1.269 637 W CB -0.484 28.638 29.460 -0.564 0.000 1.155 637 W HN 0.185 nan 8.180 nan 0.000 0.484 638 D N 0.429 120.756 120.400 -0.121 0.000 2.116 638 D HA -0.172 4.478 4.640 0.017 0.000 0.193 638 D C 2.429 178.687 176.300 -0.069 0.000 0.998 638 D CA 2.497 56.434 54.000 -0.106 0.000 0.836 638 D CB -0.858 39.972 40.800 0.052 0.000 0.951 638 D HN 0.179 nan 8.370 nan 0.000 0.449 639 A N 0.268 123.117 122.820 0.048 0.000 1.883 639 A HA -0.169 4.160 4.320 0.017 0.000 0.217 639 A C 2.386 180.129 177.584 0.266 0.000 1.186 639 A CA 1.222 53.377 52.037 0.197 0.000 0.624 639 A CB -0.785 18.348 19.000 0.222 0.000 0.822 639 A HN 0.228 nan 8.150 nan 0.000 0.444 640 I N -0.653 120.007 120.570 0.150 0.000 2.142 640 I HA -0.258 3.922 4.170 0.017 0.000 0.240 640 I C 2.507 178.499 176.117 -0.209 0.000 1.078 640 I CA 1.903 63.198 61.300 -0.007 0.000 1.343 640 I CB -0.224 37.733 38.000 -0.072 0.000 1.046 640 I HN 0.309 nan 8.210 nan 0.000 0.405 641 K N 0.307 120.449 120.400 -0.430 0.000 2.103 641 K HA -0.190 4.140 4.320 0.017 0.000 0.207 641 K C 2.054 178.563 176.600 -0.152 0.000 1.048 641 K CA 1.886 57.939 56.287 -0.391 0.000 0.930 641 K CB -0.084 32.083 32.500 -0.555 0.000 0.716 641 K HN 0.289 nan 8.250 nan 0.000 0.444 642 T N 0.494 115.001 114.554 -0.077 0.000 2.708 642 T HA -0.201 4.159 4.350 0.017 0.000 0.266 642 T C 1.209 175.977 174.700 0.114 0.000 1.037 642 T CA 1.424 63.537 62.100 0.022 0.000 1.146 642 T CB -0.385 68.523 68.868 0.067 0.000 0.865 642 T HN 0.548 nan 8.240 nan 0.000 0.435 643 W N 1.798 123.022 121.300 -0.126 0.000 2.355 643 W HA -0.181 4.489 4.660 0.017 0.000 0.309 643 W C 1.753 178.229 176.519 -0.071 0.000 1.206 643 W CA 0.577 57.814 57.345 -0.180 0.000 1.284 643 W CB -0.526 28.477 29.460 -0.763 0.000 1.145 643 W HN 0.023 nan 8.180 nan 0.000 0.502 644 V N 1.089 120.758 119.914 -0.408 0.000 2.332 644 V HA -0.360 3.770 4.120 0.017 0.000 0.248 644 V C 2.327 178.341 176.094 -0.134 0.000 1.055 644 V CA 2.566 64.591 62.300 -0.459 0.000 1.038 644 V CB -1.545 30.088 31.823 -0.317 0.000 0.651 644 V HN 0.339 nan 8.190 nan 0.000 0.450 645 H N 0.535 119.530 119.070 -0.124 0.000 2.267 645 H HA -0.180 4.386 4.556 0.016 0.000 0.297 645 H C 2.380 177.698 175.328 -0.017 0.000 1.080 645 H CA 2.330 58.331 56.048 -0.079 0.000 1.278 645 H CB -0.008 29.637 29.762 -0.195 0.000 1.365 645 H HN 0.504 nan 8.280 nan 0.000 0.489 646 E N -0.717 119.576 120.200 0.155 0.000 2.097 646 E HA -0.289 4.071 4.350 0.017 0.000 0.196 646 E C 2.001 178.674 176.600 0.120 0.000 1.000 646 E CA 1.437 57.930 56.400 0.156 0.000 0.804 646 E CB -0.349 29.486 29.700 0.224 0.000 0.740 646 E HN 0.578 nan 8.360 nan 0.000 0.454 647 Y N 1.258 121.500 120.300 -0.096 0.000 2.089 647 Y HA -0.238 4.322 4.550 0.017 0.000 0.282 647 Y C 2.374 178.322 175.900 0.081 0.000 1.139 647 Y CA 1.306 59.341 58.100 -0.108 0.000 1.123 647 Y CB -0.230 37.906 38.460 -0.540 0.000 0.980 647 Y HN -0.201 nan 8.280 nan 0.000 0.493 648 V N -0.350 119.704 119.914 0.232 0.000 2.490 648 V HA -0.299 3.831 4.120 0.017 0.000 0.250 648 V C 1.800 178.024 176.094 0.216 0.000 1.061 648 V CA 1.841 64.311 62.300 0.285 0.000 1.064 648 V CB -0.780 31.186 31.823 0.239 0.000 0.670 648 V HN 0.346 nan 8.190 nan 0.000 0.461 649 F N -1.313 118.566 119.950 -0.118 0.000 2.780 649 F HA 0.108 4.645 4.527 0.016 0.000 0.299 649 F C 1.740 177.446 175.800 -0.157 0.000 1.146 649 F CA 0.268 58.191 58.000 -0.128 0.000 1.428 649 F CB -0.230 38.652 39.000 -0.197 0.000 1.115 649 F HN 0.101 nan 8.300 nan 0.000 0.583 650 L N -1.610 119.542 121.223 -0.118 0.000 2.156 650 L HA -0.141 4.209 4.340 0.017 0.000 0.208 650 L C 1.688 178.187 176.870 -0.619 0.000 1.095 650 L CA 1.755 56.348 54.840 -0.411 0.000 0.770 650 L CB -1.047 40.560 42.059 -0.754 0.000 0.914 650 L HN 0.118 nan 8.230 nan 0.000 0.439 651 Y N -3.073 117.058 120.300 -0.283 0.000 2.503 651 Y HA 0.100 4.660 4.550 0.017 0.000 0.277 651 Y C 0.209 175.812 175.900 -0.496 0.000 1.102 651 Y CA -0.388 57.452 58.100 -0.434 0.000 1.261 651 Y CB -0.029 38.068 38.460 -0.606 0.000 1.096 651 Y HN -0.069 nan 8.280 nan 0.000 0.546 652 Y N 0.959 121.198 120.300 -0.101 0.000 2.417 652 Y HA 0.277 4.837 4.550 0.016 0.000 0.336 652 Y C 1.004 176.768 175.900 -0.227 0.000 0.961 652 Y CA -1.219 56.784 58.100 -0.161 0.000 1.215 652 Y CB 0.944 39.276 38.460 -0.213 0.000 1.120 652 Y HN -0.088 nan 8.280 nan 0.000 0.499 653 K N 1.337 121.714 120.400 -0.038 0.000 2.365 653 K HA 0.006 4.336 4.320 0.017 0.000 0.199 653 K C 0.224 176.790 176.600 -0.057 0.000 1.045 653 K CA 0.901 57.156 56.287 -0.053 0.000 0.962 653 K CB 0.151 32.631 32.500 -0.034 0.000 0.759 653 K HN 0.646 nan 8.250 nan 0.000 0.469 654 S N -1.341 114.325 115.700 -0.056 0.000 2.615 654 S HA 0.161 4.641 4.470 0.017 0.000 0.268 654 S C -0.482 174.073 174.600 -0.075 0.000 1.146 654 S CA -0.959 57.204 58.200 -0.062 0.000 0.818 654 S CB 1.136 64.323 63.200 -0.020 0.000 1.111 654 S HN -0.130 nan 8.310 nan 0.000 0.465 655 D N 0.717 121.071 120.400 -0.077 0.000 2.264 655 D HA -0.008 4.642 4.640 0.017 0.000 0.208 655 D C 0.894 177.164 176.300 -0.050 0.000 0.966 655 D CA 0.970 54.918 54.000 -0.086 0.000 0.864 655 D CB -0.195 40.570 40.800 -0.059 0.000 0.933 655 D HN 0.541 nan 8.370 nan 0.000 0.499 656 D N -0.110 120.278 120.400 -0.020 0.000 2.178 656 D HA -0.077 4.573 4.640 0.017 0.000 0.202 656 D C 1.809 178.122 176.300 0.022 0.000 0.974 656 D CA 0.859 54.858 54.000 -0.001 0.000 0.841 656 D CB -0.166 40.637 40.800 0.006 0.000 0.953 656 D HN 0.113 nan 8.370 nan 0.000 0.478 657 T N 1.002 115.585 114.554 0.047 0.000 2.833 657 T HA -0.128 4.232 4.350 0.017 0.000 0.269 657 T C 1.843 176.662 174.700 0.198 0.000 1.054 657 T CA 0.496 62.669 62.100 0.121 0.000 1.135 657 T CB -0.068 68.882 68.868 0.136 0.000 0.869 657 T HN 0.072 nan 8.240 nan 0.000 0.466 658 L N 0.879 122.145 121.223 0.071 0.000 2.162 658 L HA 0.170 4.520 4.340 0.017 0.000 0.205 658 L C 2.330 179.175 176.870 -0.042 0.000 1.086 658 L CA 1.410 56.187 54.840 -0.105 0.000 0.778 658 L CB -0.271 41.528 42.059 -0.433 0.000 0.928 658 L HN -0.014 nan 8.230 nan 0.000 0.446 659 R N -0.081 120.403 120.500 -0.026 0.000 2.115 659 R HA -0.108 4.242 4.340 0.017 0.000 0.230 659 R C 1.775 178.086 176.300 0.020 0.000 1.111 659 R CA 1.560 57.655 56.100 -0.008 0.000 0.976 659 R CB -0.356 29.940 30.300 -0.006 0.000 0.870 659 R HN 0.539 nan 8.270 nan 0.000 0.445 660 E N 0.689 120.913 120.200 0.041 0.000 2.435 660 E HA -0.058 4.302 4.350 0.017 0.000 0.195 660 E C 0.049 176.693 176.600 0.073 0.000 1.029 660 E CA -0.063 56.367 56.400 0.050 0.000 0.865 660 E CB 0.105 29.836 29.700 0.051 0.000 0.833 660 E HN 0.140 nan 8.360 nan 0.000 0.510 661 D N 1.555 122.023 120.400 0.113 0.000 2.346 661 D HA -0.012 4.638 4.640 0.017 0.000 0.260 661 D C -1.525 174.826 176.300 0.085 0.000 1.252 661 D CA -1.990 52.102 54.000 0.154 0.000 0.895 661 D CB 1.211 42.186 40.800 0.292 0.000 1.097 661 D HN -0.036 nan 8.370 nan 0.000 0.489 662 P HA -0.008 nan 4.420 nan 0.000 0.231 662 P C 0.872 178.166 177.300 -0.010 0.000 1.168 662 P CA 0.615 63.724 63.100 0.015 0.000 0.779 662 P CB 0.698 32.403 31.700 0.009 0.000 0.844 663 E N -0.324 119.876 120.200 0.001 0.000 2.086 663 E HA -0.026 4.334 4.350 0.017 0.000 0.190 663 E C 1.993 178.564 176.600 -0.048 0.000 0.975 663 E CA 0.254 56.630 56.400 -0.040 0.000 0.813 663 E CB -0.422 29.229 29.700 -0.082 0.000 0.768 663 E HN 0.076 nan 8.360 nan 0.000 0.457 664 L N 1.335 122.536 121.223 -0.037 0.000 2.046 664 L HA -0.208 4.142 4.340 0.017 0.000 0.208 664 L C 2.083 179.003 176.870 0.083 0.000 1.077 664 L CA 1.636 56.492 54.840 0.026 0.000 0.747 664 L CB -0.382 41.732 42.059 0.092 0.000 0.896 664 L HN 0.205 nan 8.230 nan 0.000 0.432 665 Q N -0.317 119.514 119.800 0.052 0.000 2.083 665 Q HA -0.076 4.274 4.340 0.017 0.000 0.198 665 Q C 2.254 178.270 176.000 0.026 0.000 0.969 665 Q CA 1.547 57.388 55.803 0.063 0.000 0.838 665 Q CB -0.415 28.343 28.738 0.033 0.000 0.900 665 Q HN 0.576 nan 8.270 nan 0.000 0.436 666 A N 0.592 123.368 122.820 -0.073 0.000 1.972 666 A HA -0.192 4.138 4.320 0.017 0.000 0.219 666 A C 2.490 179.968 177.584 -0.177 0.000 1.169 666 A CA 1.490 53.385 52.037 -0.237 0.000 0.635 666 A CB -1.127 17.593 19.000 -0.468 0.000 0.810 666 A HN 0.509 nan 8.150 nan 0.000 0.446 667 C N -1.473 117.845 119.300 0.031 0.000 2.432 667 C HA -0.121 4.349 4.460 0.017 0.000 0.277 667 C C 2.445 177.562 174.990 0.213 0.000 1.249 667 C CA 1.194 60.362 59.018 0.250 0.000 1.725 667 C CB -1.359 26.539 27.740 0.264 0.000 2.028 667 C HN 0.753 nan 8.230 nan 0.000 0.477 668 W N 1.171 122.470 121.300 -0.001 0.000 2.381 668 W HA -0.107 4.563 4.660 0.016 0.000 0.301 668 W C 2.587 179.021 176.519 -0.141 0.000 1.205 668 W CA 1.726 59.045 57.345 -0.045 0.000 1.285 668 W CB -0.476 28.973 29.460 -0.018 0.000 1.133 668 W HN 0.400 nan 8.180 nan 0.000 0.521 669 K N 0.655 120.991 120.400 -0.108 0.000 2.009 669 K HA -0.290 4.040 4.320 0.017 0.000 0.210 669 K C 2.025 178.452 176.600 -0.289 0.000 1.049 669 K CA 2.098 58.255 56.287 -0.217 0.000 0.929 669 K CB -0.551 31.874 32.500 -0.125 0.000 0.714 669 K HN 0.089 nan 8.250 nan 0.000 0.440 670 E N 0.419 120.513 120.200 -0.176 0.000 2.110 670 E HA -0.194 4.166 4.350 0.017 0.000 0.193 670 E C 2.038 178.432 176.600 -0.343 0.000 0.988 670 E CA 0.662 56.965 56.400 -0.161 0.000 0.804 670 E CB 0.015 29.784 29.700 0.114 0.000 0.745 670 E HN 0.235 nan 8.360 nan 0.000 0.458 671 L N 0.768 121.739 121.223 -0.420 0.000 2.017 671 L HA -0.135 4.215 4.340 0.017 0.000 0.208 671 L C 2.266 178.630 176.870 -0.843 0.000 1.073 671 L CA 1.461 55.911 54.840 -0.651 0.000 0.745 671 L CB -0.773 40.801 42.059 -0.809 0.000 0.894 671 L HN 0.117 nan 8.230 nan 0.000 0.432 672 V N 0.186 119.446 119.914 -1.091 0.000 2.453 672 V HA -0.203 3.927 4.120 0.017 0.000 0.247 672 V C 2.460 178.153 176.094 -0.668 0.000 1.048 672 V CA 1.602 63.168 62.300 -1.224 0.000 1.049 672 V CB -0.382 30.559 31.823 -1.470 0.000 0.672 672 V HN 0.461 nan 8.190 nan 0.000 0.457 673 E N -0.706 119.191 120.200 -0.505 0.000 2.230 673 E HA -0.036 4.324 4.350 0.017 0.000 0.192 673 E C 1.845 178.270 176.600 -0.292 0.000 0.987 673 E CA 0.983 57.184 56.400 -0.331 0.000 0.841 673 E CB 0.425 29.968 29.700 -0.262 0.000 0.783 673 E HN 0.501 nan 8.360 nan 0.000 0.481 674 V N -0.778 118.897 119.914 -0.399 0.000 3.054 674 V HA 0.106 4.236 4.120 0.017 0.000 0.227 674 V C 2.115 177.823 176.094 -0.642 0.000 1.252 674 V CA 0.942 62.938 62.300 -0.507 0.000 1.279 674 V CB -0.386 31.038 31.823 -0.664 0.000 1.118 674 V HN 0.270 nan 8.190 nan 0.000 0.504 675 G N -0.508 107.811 108.800 -0.802 0.000 2.421 675 G HA2 -0.207 3.763 3.960 0.017 0.000 0.216 675 G HA3 -0.207 3.763 3.960 0.017 0.000 0.216 675 G C 1.099 175.767 174.900 -0.387 0.000 1.171 675 G CA 0.906 45.640 45.100 -0.610 0.000 0.775 675 G HN 0.544 nan 8.290 nan 0.000 0.543 676 H N 0.420 119.330 119.070 -0.266 0.000 2.472 676 H HA 0.252 4.817 4.556 0.016 0.000 0.287 676 H C 2.188 177.544 175.328 0.047 0.000 1.112 676 H CA 0.062 56.117 56.048 0.011 0.000 1.021 676 H CB 0.231 30.122 29.762 0.216 0.000 1.635 676 H HN 0.291 nan 8.280 nan 0.000 0.559 677 G N 0.443 109.231 108.800 -0.021 0.000 2.507 677 G HA2 -0.258 3.712 3.960 0.017 0.000 0.221 677 G HA3 -0.258 3.712 3.960 0.017 0.000 0.221 677 G C 1.187 176.132 174.900 0.075 0.000 1.119 677 G CA 0.575 45.649 45.100 -0.044 0.000 0.751 677 G HN 0.349 nan 8.290 nan 0.000 0.574 678 D N -0.024 120.488 120.400 0.187 0.000 2.392 678 D HA 0.007 4.657 4.640 0.017 0.000 0.228 678 D C 1.707 178.147 176.300 0.234 0.000 1.003 678 D CA 0.773 54.906 54.000 0.221 0.000 0.917 678 D CB 0.132 41.116 40.800 0.308 0.000 0.890 678 D HN 0.332 nan 8.370 nan 0.000 0.532 679 K N 0.022 120.594 120.400 0.286 0.000 2.438 679 K HA 0.067 4.397 4.320 0.017 0.000 0.205 679 K C 1.647 178.395 176.600 0.247 0.000 1.033 679 K CA -0.160 56.304 56.287 0.295 0.000 1.089 679 K CB 0.713 33.516 32.500 0.504 0.000 0.857 679 K HN 0.009 nan 8.250 nan 0.000 0.522 680 K N -0.068 120.389 120.400 0.094 0.000 2.218 680 K HA -0.175 4.155 4.320 0.017 0.000 0.205 680 K C 0.618 177.182 176.600 -0.061 0.000 1.046 680 K CA 1.936 58.185 56.287 -0.065 0.000 0.933 680 K CB -0.215 32.213 32.500 -0.120 0.000 0.728 680 K HN 0.076 nan 8.250 nan 0.000 0.454 681 N N 0.630 119.316 118.700 -0.024 0.000 2.270 681 N HA 0.029 4.779 4.740 0.017 0.000 0.198 681 N C -0.725 174.733 175.510 -0.087 0.000 1.117 681 N CA -0.305 52.720 53.050 -0.043 0.000 0.845 681 N CB 0.373 38.844 38.487 -0.027 0.000 0.980 681 N HN 0.153 nan 8.380 nan 0.000 0.486 682 E N 1.201 121.292 120.200 -0.182 0.000 2.390 682 E HA 0.040 4.400 4.350 0.017 0.000 0.261 682 E C -1.419 174.885 176.600 -0.494 0.000 1.076 682 E CA -1.717 54.371 56.400 -0.519 0.000 0.905 682 E CB 0.464 29.380 29.700 -1.306 0.000 0.984 682 E HN 0.144 nan 8.360 nan 0.000 0.427 683 P HA 0.021 nan 4.420 nan 0.000 0.249 683 P C 0.690 177.976 177.300 -0.024 0.000 1.229 683 P CA 0.532 63.548 63.100 -0.139 0.000 0.788 683 P CB 0.057 31.744 31.700 -0.022 0.000 1.072 684 W N -2.467 118.849 121.300 0.026 0.000 3.278 684 W HA 0.252 4.922 4.660 0.017 0.000 0.308 684 W C -0.461 176.110 176.519 0.087 0.000 1.253 684 W CA -0.989 56.350 57.345 -0.010 0.000 1.759 684 W CB -1.053 28.323 29.460 -0.140 0.000 1.093 684 W HN -0.218 nan 8.180 nan 0.000 0.648 685 W N 4.179 125.632 121.300 0.255 0.000 2.253 685 W HA 0.252 4.921 4.660 0.016 0.000 0.322 685 W C -1.807 174.948 176.519 0.393 0.000 1.342 685 W CA -1.607 55.976 57.345 0.398 0.000 1.218 685 W CB 0.076 29.608 29.460 0.121 0.000 1.205 685 W HN -0.403 nan 8.180 nan 0.000 0.551 686 P HA 0.018 nan 4.420 nan 0.000 0.269 686 P C -0.527 177.047 177.300 0.457 0.000 1.209 686 P CA -0.047 63.341 63.100 0.480 0.000 0.776 686 P CB 0.594 32.521 31.700 0.378 0.000 0.876 687 K N 2.438 122.988 120.400 0.250 0.000 2.156 687 K HA 0.349 4.679 4.320 0.017 0.000 0.271 687 K C 0.205 176.822 176.600 0.029 0.000 0.995 687 K CA -0.574 55.830 56.287 0.194 0.000 0.890 687 K CB 0.933 33.517 32.500 0.140 0.000 1.073 687 K HN 0.402 nan 8.250 nan 0.000 0.454 688 M N 4.105 123.678 119.600 -0.045 0.000 3.586 688 M HA 0.041 4.531 4.480 0.017 0.000 0.225 688 M C 0.432 176.679 176.300 -0.089 0.000 1.428 688 M CA 0.491 55.681 55.300 -0.182 0.000 1.613 688 M CB 0.015 32.444 32.600 -0.284 0.000 1.063 688 M HN 0.375 nan 8.290 nan 0.000 0.593 689 Q N -0.650 119.119 119.800 -0.051 0.000 2.281 689 Q HA 0.228 4.578 4.340 0.017 0.000 0.215 689 Q C 0.101 176.068 176.000 -0.055 0.000 0.867 689 Q CA 0.404 56.184 55.803 -0.037 0.000 0.940 689 Q CB 1.434 30.173 28.738 0.002 0.000 1.111 689 Q HN 0.368 nan 8.270 nan 0.000 0.513 690 T N -0.586 113.924 114.554 -0.075 0.000 2.909 690 T HA 0.355 4.715 4.350 0.017 0.000 0.299 690 T C 0.721 175.346 174.700 -0.125 0.000 1.073 690 T CA -0.564 61.494 62.100 -0.070 0.000 0.999 690 T CB 2.016 70.878 68.868 -0.009 0.000 1.098 690 T HN -0.061 nan 8.240 nan 0.000 0.477 691 R N 0.787 121.193 120.500 -0.157 0.000 2.120 691 R HA -0.079 4.271 4.340 0.017 0.000 0.234 691 R C 1.727 178.024 176.300 -0.005 0.000 1.123 691 R CA 1.282 57.243 56.100 -0.232 0.000 0.975 691 R CB 0.027 30.011 30.300 -0.526 0.000 0.866 691 R HN 0.524 nan 8.270 nan 0.000 0.446 692 E N 0.762 121.024 120.200 0.103 0.000 2.077 692 E HA -0.181 4.179 4.350 0.017 0.000 0.193 692 E C 1.637 178.285 176.600 0.080 0.000 0.989 692 E CA 1.327 57.820 56.400 0.155 0.000 0.800 692 E CB 0.037 29.824 29.700 0.145 0.000 0.746 692 E HN 0.310 nan 8.360 nan 0.000 0.452 693 E N -0.428 119.789 120.200 0.028 0.000 2.118 693 E HA -0.197 4.163 4.350 0.017 0.000 0.195 693 E C 1.882 178.452 176.600 -0.051 0.000 0.992 693 E CA 0.862 57.268 56.400 0.010 0.000 0.804 693 E CB -0.087 29.605 29.700 -0.012 0.000 0.741 693 E HN 0.128 nan 8.360 nan 0.000 0.458 694 L N 0.145 121.302 121.223 -0.110 0.000 2.072 694 L HA -0.095 4.255 4.340 0.017 0.000 0.205 694 L C 2.106 178.947 176.870 -0.048 0.000 1.079 694 L CA 1.248 55.995 54.840 -0.156 0.000 0.752 694 L CB -0.262 41.656 42.059 -0.235 0.000 0.906 694 L HN -0.063 nan 8.230 nan 0.000 0.436 695 V N -0.100 119.819 119.914 0.008 0.000 2.343 695 V HA -0.271 3.859 4.120 0.017 0.000 0.247 695 V C 2.648 178.760 176.094 0.030 0.000 1.051 695 V CA 1.881 64.202 62.300 0.035 0.000 1.036 695 V CB -0.581 31.306 31.823 0.106 0.000 0.654 695 V HN 0.527 nan 8.190 nan 0.000 0.451 696 E N 0.535 120.774 120.200 0.065 0.000 2.051 696 E HA -0.168 4.192 4.350 0.017 0.000 0.192 696 E C 2.161 178.845 176.600 0.141 0.000 0.991 696 E CA 1.592 58.054 56.400 0.103 0.000 0.799 696 E CB -0.462 29.309 29.700 0.120 0.000 0.748 696 E HN 0.520 nan 8.360 nan 0.000 0.449 697 A N -0.283 122.641 122.820 0.175 0.000 1.902 697 A HA -0.184 4.146 4.320 0.017 0.000 0.217 697 A C 2.518 180.278 177.584 0.295 0.000 1.181 697 A CA 1.472 53.732 52.037 0.372 0.000 0.623 697 A CB -0.931 18.166 19.000 0.162 0.000 0.818 697 A HN 0.503 nan 8.150 nan 0.000 0.443 698 C N -1.152 118.221 119.300 0.122 0.000 2.440 698 C HA 0.135 4.605 4.460 0.017 0.000 0.278 698 C C 3.303 178.304 174.990 0.019 0.000 1.295 698 C CA 0.595 59.658 59.018 0.075 0.000 1.738 698 C CB -1.228 26.517 27.740 0.009 0.000 1.987 698 C HN 0.702 nan 8.230 nan 0.000 0.492 699 A N 0.636 123.436 122.820 -0.034 0.000 1.933 699 A HA -0.121 4.209 4.320 0.017 0.000 0.218 699 A C 1.921 179.524 177.584 0.033 0.000 1.175 699 A CA 1.612 53.550 52.037 -0.164 0.000 0.628 699 A CB -0.537 18.210 19.000 -0.422 0.000 0.814 699 A HN 0.591 nan 8.150 nan 0.000 0.444 700 I N -0.336 120.342 120.570 0.181 0.000 2.179 700 I HA -0.256 3.924 4.170 0.017 0.000 0.242 700 I C 2.278 178.553 176.117 0.263 0.000 1.088 700 I CA 1.400 62.847 61.300 0.246 0.000 1.357 700 I CB -0.378 37.497 38.000 -0.209 0.000 1.051 700 I HN 0.278 nan 8.210 nan 0.000 0.409 701 I N 0.600 121.292 120.570 0.203 0.000 2.163 701 I HA -0.312 3.868 4.170 0.017 0.000 0.243 701 I C 2.454 178.633 176.117 0.102 0.000 1.085 701 I CA 1.704 63.066 61.300 0.103 0.000 1.347 701 I CB -0.354 37.670 38.000 0.040 0.000 1.044 701 I HN 0.161 nan 8.210 nan 0.000 0.408 702 I N -0.327 120.265 120.570 0.036 0.000 2.315 702 I HA -0.311 3.869 4.170 0.017 0.000 0.248 702 I C 2.459 178.589 176.117 0.021 0.000 1.117 702 I CA 1.340 62.557 61.300 -0.138 0.000 1.404 702 I CB -0.506 37.313 38.000 -0.302 0.000 1.071 702 I HN 0.553 nan 8.210 nan 0.000 0.419 703 W N 2.131 123.443 121.300 0.020 0.000 2.338 703 W HA -0.232 4.439 4.660 0.018 0.000 0.304 703 W C 2.226 178.846 176.519 0.169 0.000 1.212 703 W CA 1.981 59.419 57.345 0.153 0.000 1.264 703 W CB -0.332 29.358 29.460 0.383 0.000 1.142 703 W HN 0.083 nan 8.180 nan 0.000 0.512 704 T N 1.193 115.853 114.554 0.178 0.000 2.777 704 T HA -0.095 4.265 4.350 0.017 0.000 0.266 704 T C 1.978 176.689 174.700 0.018 0.000 1.040 704 T CA 1.967 64.119 62.100 0.086 0.000 1.141 704 T CB -0.558 68.444 68.868 0.224 0.000 0.868 704 T HN 0.228 nan 8.240 nan 0.000 0.444 705 A N 1.168 124.015 122.820 0.045 0.000 2.072 705 A HA 0.102 4.432 4.320 0.017 0.000 0.216 705 A C 2.348 179.963 177.584 0.052 0.000 1.156 705 A CA 1.452 53.511 52.037 0.037 0.000 0.701 705 A CB -0.310 18.759 19.000 0.115 0.000 0.816 705 A HN 0.562 nan 8.150 nan 0.000 0.458 706 S N -0.874 114.840 115.700 0.023 0.000 2.860 706 S HA 0.458 4.938 4.470 0.017 0.000 0.181 706 S C 2.114 176.715 174.600 0.001 0.000 0.763 706 S CA 0.761 58.995 58.200 0.057 0.000 0.829 706 S CB -0.782 62.454 63.200 0.060 0.000 0.793 706 S HN 0.703 nan 8.310 nan 0.000 0.614 707 A N 1.152 123.866 122.820 -0.177 0.000 1.929 707 A HA 0.231 4.561 4.320 0.017 0.000 0.216 707 A C 2.259 179.546 177.584 -0.495 0.000 1.176 707 A CA 1.359 53.202 52.037 -0.324 0.000 0.628 707 A CB -1.003 17.784 19.000 -0.355 0.000 0.816 707 A HN 0.544 nan 8.150 nan 0.000 0.444 708 L N -0.385 120.343 121.223 -0.825 0.000 1.994 708 L HA -0.186 4.164 4.340 0.017 0.000 0.208 708 L C 2.401 179.224 176.870 -0.078 0.000 1.071 708 L CA 2.759 57.319 54.840 -0.467 0.000 0.745 708 L CB -0.961 40.857 42.059 -0.402 0.000 0.892 708 L HN 0.651 nan 8.230 nan 0.000 0.431 709 H N -0.347 118.655 119.070 -0.112 0.000 2.319 709 H HA -0.199 4.366 4.556 0.016 0.000 0.299 709 H C 1.922 177.287 175.328 0.063 0.000 1.092 709 H CA 1.698 57.744 56.048 -0.003 0.000 1.302 709 H CB 0.131 29.872 29.762 -0.036 0.000 1.373 709 H HN 0.479 nan 8.280 nan 0.000 0.497 710 A N 1.457 124.280 122.820 0.004 0.000 1.903 710 A HA -0.226 4.104 4.320 0.017 0.000 0.219 710 A C 2.739 180.388 177.584 0.107 0.000 1.191 710 A CA 2.389 54.526 52.037 0.168 0.000 0.638 710 A CB -1.304 17.837 19.000 0.234 0.000 0.823 710 A HN 0.650 nan 8.150 nan 0.000 0.451 711 A N -1.317 121.539 122.820 0.059 0.000 1.933 711 A HA 0.038 4.368 4.320 0.017 0.000 0.218 711 A C 2.109 179.729 177.584 0.060 0.000 1.175 711 A CA 1.872 53.972 52.037 0.105 0.000 0.628 711 A CB -0.588 18.554 19.000 0.237 0.000 0.814 711 A HN 0.499 nan 8.150 nan 0.000 0.444 712 V N -0.281 119.649 119.914 0.027 0.000 3.590 712 V HA -0.023 4.107 4.120 0.017 0.000 0.265 712 V C 1.919 178.051 176.094 0.064 0.000 1.239 712 V CA 1.627 63.983 62.300 0.094 0.000 1.117 712 V CB -0.295 31.632 31.823 0.173 0.000 0.818 712 V HN 0.748 nan 8.190 nan 0.000 0.451 713 N N -0.174 118.404 118.700 -0.204 0.000 2.508 713 N HA 0.050 4.800 4.740 0.017 0.000 0.186 713 N C 1.271 176.509 175.510 -0.452 0.000 1.034 713 N CA 0.708 53.461 53.050 -0.495 0.000 0.885 713 N CB -0.039 37.841 38.487 -1.012 0.000 1.135 713 N HN 0.282 nan 8.380 nan 0.000 0.435 714 F N 0.005 119.901 119.950 -0.091 0.000 2.802 714 F HA 0.312 4.847 4.527 0.014 0.000 0.300 714 F C 2.003 177.912 175.800 0.182 0.000 1.168 714 F CA 0.501 58.501 58.000 0.000 0.000 1.433 714 F CB -0.110 38.861 39.000 -0.048 0.000 1.115 714 F HN 0.152 nan 8.300 nan 0.000 0.582 715 G N -1.176 107.825 108.800 0.334 0.000 3.088 715 G HA2 -0.003 3.967 3.960 0.017 0.000 0.217 715 G HA3 -0.003 3.967 3.960 0.017 0.000 0.217 715 G C 1.354 176.449 174.900 0.325 0.000 1.159 715 G CA -0.103 45.301 45.100 0.506 0.000 0.760 715 G HN 0.265 nan 8.290 nan 0.000 0.550 716 Q N -0.586 119.329 119.800 0.191 0.000 2.050 716 Q HA -0.164 4.186 4.340 0.017 0.000 0.202 716 Q C 1.963 178.040 176.000 0.128 0.000 0.980 716 Q CA 1.389 57.278 55.803 0.142 0.000 0.840 716 Q CB -0.194 28.589 28.738 0.075 0.000 0.898 716 Q HN 0.630 nan 8.270 nan 0.000 0.424 717 Y N 0.906 121.236 120.300 0.051 0.000 2.206 717 Y HA -0.065 4.498 4.550 0.020 0.000 0.292 717 Y C -0.923 174.939 175.900 -0.063 0.000 1.123 717 Y CA 0.981 59.088 58.100 0.012 0.000 1.142 717 Y CB -0.652 37.833 38.460 0.040 0.000 1.006 717 Y HN 0.060 nan 8.280 nan 0.000 0.518 718 P HA -0.187 nan 4.420 nan 0.000 0.217 718 P C 0.609 177.644 177.300 -0.443 0.000 1.148 718 P CA 1.963 64.893 63.100 -0.284 0.000 0.828 718 P CB -0.119 31.277 31.700 -0.506 0.000 0.783 719 Y N -2.118 118.060 120.300 -0.204 0.000 2.441 719 Y HA 0.300 4.860 4.550 0.017 0.000 0.288 719 Y C 2.449 178.211 175.900 -0.229 0.000 1.118 719 Y CA 1.084 59.071 58.100 -0.188 0.000 1.215 719 Y CB -0.814 37.593 38.460 -0.089 0.000 1.118 719 Y HN -0.127 nan 8.280 nan 0.000 0.547 720 G N -1.141 107.622 108.800 -0.060 0.000 3.277 720 G HA2 0.173 4.143 3.960 0.017 0.000 0.243 720 G HA3 0.173 4.143 3.960 0.017 0.000 0.243 720 G C 1.649 176.363 174.900 -0.310 0.000 1.107 720 G CA 0.454 45.464 45.100 -0.151 0.000 0.771 720 G HN 0.437 nan 8.290 nan 0.000 0.544 721 G N 0.149 108.623 108.800 -0.544 0.000 2.484 721 G HA2 0.049 4.019 3.960 0.017 0.000 0.218 721 G HA3 0.049 4.019 3.960 0.017 0.000 0.218 721 G C 0.619 175.166 174.900 -0.588 0.000 1.130 721 G CA -0.004 44.499 45.100 -0.994 0.000 0.784 721 G HN 0.374 nan 8.290 nan 0.000 0.543 722 L N 1.406 122.348 121.223 -0.467 0.000 2.257 722 L HA 0.371 4.721 4.340 0.017 0.000 0.290 722 L C 1.222 177.848 176.870 -0.407 0.000 1.044 722 L CA -0.666 53.948 54.840 -0.377 0.000 0.810 722 L CB 1.531 43.319 42.059 -0.453 0.000 1.193 722 L HN 0.036 nan 8.230 nan 0.000 0.425 723 I N 3.913 124.266 120.570 -0.363 0.000 2.567 723 I HA -0.240 3.940 4.170 0.017 0.000 0.257 723 I C 1.686 177.565 176.117 -0.397 0.000 1.184 723 I CA 1.191 62.295 61.300 -0.327 0.000 1.451 723 I CB 0.157 38.008 38.000 -0.249 0.000 1.089 723 I HN 0.608 nan 8.210 nan 0.000 0.441 724 L N 0.181 121.035 121.223 -0.615 0.000 2.109 724 L HA -0.171 4.179 4.340 0.017 0.000 0.207 724 L C 2.206 178.527 176.870 -0.914 0.000 1.086 724 L CA 1.629 55.995 54.840 -0.790 0.000 0.760 724 L CB -1.573 39.666 42.059 -1.367 0.000 0.910 724 L HN 0.421 nan 8.230 nan 0.000 0.437 725 N N -0.151 117.949 118.700 -1.000 0.000 2.171 725 N HA -0.088 4.662 4.740 0.017 0.000 0.184 725 N C 0.330 175.706 175.510 -0.223 0.000 1.021 725 N CA 0.598 53.300 53.050 -0.581 0.000 0.854 725 N CB 0.324 38.538 38.487 -0.454 0.000 0.994 725 N HN 0.181 nan 8.380 nan 0.000 0.426 726 R N 1.265 121.629 120.500 -0.226 0.000 2.629 726 R HA 0.347 4.696 4.340 0.017 0.000 0.277 726 R C -2.585 173.637 176.300 -0.130 0.000 1.637 726 R CA -1.410 54.618 56.100 -0.120 0.000 1.663 726 R CB 1.624 31.876 30.300 -0.080 0.000 1.228 726 R HN 0.294 nan 8.270 nan 0.000 0.632 727 P HA 0.014 nan 4.420 nan 0.000 0.269 727 P C 0.782 178.012 177.300 -0.117 0.000 1.215 727 P CA 0.201 63.208 63.100 -0.154 0.000 0.780 727 P CB 0.934 32.526 31.700 -0.180 0.000 0.898 728 T N -1.092 113.362 114.554 -0.167 0.000 3.014 728 T HA 0.273 4.633 4.350 0.017 0.000 0.250 728 T C 0.725 175.352 174.700 -0.122 0.000 1.060 728 T CA 0.081 62.065 62.100 -0.193 0.000 1.040 728 T CB -0.186 68.350 68.868 -0.552 0.000 0.971 728 T HN 0.481 nan 8.240 nan 0.000 0.497 729 L N -0.690 120.471 121.223 -0.103 0.000 2.622 729 L HA 0.796 5.145 4.340 0.017 0.000 0.258 729 L C -1.672 175.181 176.870 -0.028 0.000 0.996 729 L CA -0.965 53.853 54.840 -0.037 0.000 0.858 729 L CB 1.583 43.618 42.059 -0.041 0.000 1.449 729 L HN 0.127 nan 8.230 nan 0.000 0.411 730 S N 0.746 116.471 115.700 0.042 0.000 2.537 730 S HA 0.714 5.194 4.470 0.017 0.000 0.301 730 S C -0.024 174.604 174.600 0.046 0.000 1.092 730 S CA -0.829 57.413 58.200 0.071 0.000 1.048 730 S CB 2.514 65.883 63.200 0.282 0.000 1.053 730 S HN 0.853 nan 8.310 nan 0.000 0.501 731 R N 0.355 120.865 120.500 0.018 0.000 2.549 731 R HA 0.367 4.717 4.340 0.017 0.000 0.344 731 R C -0.099 176.154 176.300 -0.080 0.000 0.979 731 R CA -0.257 55.819 56.100 -0.042 0.000 1.140 731 R CB 0.581 30.860 30.300 -0.035 0.000 1.377 731 R HN 0.473 nan 8.270 nan 0.000 0.541 732 R N 0.320 120.809 120.500 -0.019 0.000 2.604 732 R HA 0.290 4.640 4.340 0.017 0.000 0.270 732 R C -1.286 175.100 176.300 0.144 0.000 1.052 732 R CA -0.706 55.390 56.100 -0.006 0.000 0.902 732 R CB 1.503 31.855 30.300 0.087 0.000 1.233 732 R HN -0.165 nan 8.270 nan 0.000 0.455 733 F N 1.339 121.365 119.950 0.127 0.000 2.403 733 F HA 0.308 4.845 4.527 0.017 0.000 0.320 733 F C 1.221 177.191 175.800 0.284 0.000 1.176 733 F CA -0.810 57.264 58.000 0.124 0.000 1.206 733 F CB 0.368 39.398 39.000 0.050 0.000 1.235 733 F HN 0.354 nan 8.300 nan 0.000 0.565 734 M N 3.511 123.423 119.600 0.521 0.000 2.260 734 M HA 0.158 4.647 4.480 0.017 0.000 0.348 734 M C -2.328 174.177 176.300 0.342 0.000 1.342 734 M CA -1.141 54.400 55.300 0.402 0.000 1.040 734 M CB -0.190 32.534 32.600 0.206 0.000 1.810 734 M HN 0.159 nan 8.290 nan 0.000 0.453 735 P HA 0.061 nan 4.420 nan 0.000 0.268 735 P C -1.255 176.248 177.300 0.338 0.000 1.204 735 P CA 0.125 63.420 63.100 0.326 0.000 0.768 735 P CB 0.403 32.312 31.700 0.348 0.000 0.842 736 E N 2.438 122.774 120.200 0.227 0.000 2.191 736 E HA 0.105 4.465 4.350 0.017 0.000 0.274 736 E C 0.556 177.086 176.600 -0.118 0.000 0.948 736 E CA -0.681 55.776 56.400 0.094 0.000 0.802 736 E CB 0.915 30.672 29.700 0.094 0.000 1.137 736 E HN 0.387 nan 8.360 nan 0.000 0.397 737 K N 0.967 121.188 120.400 -0.299 0.000 8.712 737 K HA -0.356 3.974 4.320 0.017 0.000 0.470 737 K C 1.206 177.542 176.600 -0.440 0.000 0.547 737 K CA 1.977 58.045 56.287 -0.365 0.000 1.579 737 K CB -1.152 31.272 32.500 -0.128 0.000 0.837 737 K HN 0.686 nan 8.250 nan 0.000 1.053 738 G N 0.888 109.580 108.800 -0.181 0.000 2.759 738 G HA2 0.110 4.080 3.960 0.017 0.000 0.197 738 G HA3 0.110 4.080 3.960 0.017 0.000 0.197 738 G C 0.276 175.194 174.900 0.030 0.000 1.067 738 G CA 0.538 45.595 45.100 -0.072 0.000 0.742 738 G HN 0.709 nan 8.290 nan 0.000 0.651 739 S N 0.580 116.309 115.700 0.049 0.000 2.588 739 S HA 0.096 4.576 4.470 0.017 0.000 0.273 739 S C 1.755 176.436 174.600 0.135 0.000 1.367 739 S CA 0.593 58.851 58.200 0.096 0.000 1.024 739 S CB 0.486 63.756 63.200 0.117 0.000 0.793 739 S HN 1.057 nan 8.310 nan 0.000 0.484 740 A N 1.100 123.988 122.820 0.114 0.000 2.014 740 A HA -0.039 4.291 4.320 0.017 0.000 0.218 740 A C 2.259 179.917 177.584 0.124 0.000 1.163 740 A CA 1.115 53.216 52.037 0.107 0.000 0.652 740 A CB -0.674 18.373 19.000 0.078 0.000 0.808 740 A HN 0.927 nan 8.150 nan 0.000 0.449 741 E N -1.348 118.939 120.200 0.146 0.000 2.371 741 E HA -0.154 4.206 4.350 0.017 0.000 0.194 741 E C 1.600 178.308 176.600 0.180 0.000 1.012 741 E CA 0.875 57.361 56.400 0.143 0.000 0.860 741 E CB -0.634 29.148 29.700 0.137 0.000 0.811 741 E HN 0.766 nan 8.360 nan 0.000 0.502 742 Y N 1.604 121.953 120.300 0.082 0.000 2.337 742 Y HA -0.060 4.500 4.550 0.017 0.000 0.293 742 Y C 2.291 178.229 175.900 0.064 0.000 1.123 742 Y CA 1.453 59.602 58.100 0.082 0.000 1.201 742 Y CB 0.381 38.892 38.460 0.085 0.000 1.011 742 Y HN -0.023 nan 8.280 nan 0.000 0.545 743 E N 0.694 121.009 120.200 0.193 0.000 2.051 743 E HA -0.180 4.180 4.350 0.017 0.000 0.189 743 E C 2.122 178.738 176.600 0.027 0.000 0.979 743 E CA 1.397 57.857 56.400 0.100 0.000 0.803 743 E CB -0.311 29.460 29.700 0.118 0.000 0.761 743 E HN 0.543 nan 8.360 nan 0.000 0.451 744 E N 0.261 120.487 120.200 0.043 0.000 2.097 744 E HA -0.233 4.126 4.350 0.017 0.000 0.196 744 E C 2.170 178.760 176.600 -0.017 0.000 1.000 744 E CA 1.131 57.542 56.400 0.019 0.000 0.804 744 E CB -0.240 29.483 29.700 0.038 0.000 0.740 744 E HN 0.319 nan 8.360 nan 0.000 0.454 745 L N 0.563 121.761 121.223 -0.043 0.000 1.989 745 L HA -0.245 4.105 4.340 0.017 0.000 0.211 745 L C 2.944 179.729 176.870 -0.143 0.000 1.071 745 L CA 1.568 56.349 54.840 -0.099 0.000 0.749 745 L CB -0.337 41.604 42.059 -0.195 0.000 0.890 745 L HN 0.196 nan 8.230 nan 0.000 0.431 746 R N -0.334 120.048 120.500 -0.197 0.000 2.096 746 R HA -0.218 4.132 4.340 0.017 0.000 0.240 746 R C 2.260 178.510 176.300 -0.085 0.000 1.139 746 R CA 1.647 57.652 56.100 -0.159 0.000 0.952 746 R CB 0.049 30.269 30.300 -0.134 0.000 0.854 746 R HN 0.213 nan 8.270 nan 0.000 0.436 747 K N -0.229 120.137 120.400 -0.057 0.000 2.062 747 K HA -0.034 4.296 4.320 0.017 0.000 0.205 747 K C 0.801 177.372 176.600 -0.047 0.000 1.051 747 K CA 0.982 57.246 56.287 -0.039 0.000 0.941 747 K CB -0.142 32.347 32.500 -0.019 0.000 0.719 747 K HN 0.095 nan 8.250 nan 0.000 0.440 748 N N -0.251 118.418 118.700 -0.051 0.000 2.697 748 N HA 0.129 4.879 4.740 0.017 0.000 0.253 748 N C -2.398 173.073 175.510 -0.065 0.000 1.604 748 N CA -1.369 51.645 53.050 -0.060 0.000 0.772 748 N CB 0.863 39.330 38.487 -0.034 0.000 1.267 748 N HN -0.179 nan 8.380 nan 0.000 0.510 749 P HA -0.186 nan 4.420 nan 0.000 0.218 749 P C 0.975 178.227 177.300 -0.080 0.000 1.148 749 P CA 1.187 64.244 63.100 -0.072 0.000 0.822 749 P CB 0.643 32.283 31.700 -0.100 0.000 0.784 750 Q N 0.084 119.736 119.800 -0.246 0.000 2.084 750 Q HA -0.190 4.160 4.340 0.017 0.000 0.202 750 Q C 2.359 178.346 176.000 -0.021 0.000 0.978 750 Q CA 1.592 57.127 55.803 -0.446 0.000 0.844 750 Q CB -0.366 27.895 28.738 -0.795 0.000 0.898 750 Q HN 0.126 nan 8.270 nan 0.000 0.426 751 K N 0.909 121.305 120.400 -0.008 0.000 2.097 751 K HA -0.070 4.260 4.320 0.017 0.000 0.205 751 K C 1.800 178.458 176.600 0.098 0.000 1.050 751 K CA 1.289 57.618 56.287 0.070 0.000 0.938 751 K CB -0.351 32.172 32.500 0.039 0.000 0.718 751 K HN 0.173 nan 8.250 nan 0.000 0.442 752 A N -0.527 122.341 122.820 0.079 0.000 1.972 752 A HA -0.149 4.181 4.320 0.017 0.000 0.219 752 A C 2.137 179.799 177.584 0.129 0.000 1.169 752 A CA 1.403 53.493 52.037 0.088 0.000 0.635 752 A CB -0.870 18.170 19.000 0.067 0.000 0.810 752 A HN 0.522 nan 8.150 nan 0.000 0.446 753 Y N -0.074 120.267 120.300 0.068 0.000 2.200 753 Y HA -0.134 4.425 4.550 0.016 0.000 0.290 753 Y C 1.905 177.876 175.900 0.119 0.000 1.137 753 Y CA 1.418 59.588 58.100 0.117 0.000 1.163 753 Y CB -0.046 38.592 38.460 0.296 0.000 0.988 753 Y HN 0.200 nan 8.280 nan 0.000 0.518 754 L N 0.657 122.059 121.223 0.298 0.000 2.201 754 L HA -0.167 4.182 4.340 0.017 0.000 0.212 754 L C 2.048 178.969 176.870 0.084 0.000 1.105 754 L CA 1.567 56.533 54.840 0.209 0.000 0.775 754 L CB -1.040 41.198 42.059 0.298 0.000 0.913 754 L HN 0.233 nan 8.230 nan 0.000 0.440 755 K N -1.171 119.264 120.400 0.058 0.000 2.228 755 K HA -0.016 4.313 4.320 0.017 0.000 0.202 755 K C 1.836 178.430 176.600 -0.010 0.000 1.051 755 K CA 1.103 57.409 56.287 0.032 0.000 0.960 755 K CB 0.031 32.557 32.500 0.043 0.000 0.743 755 K HN 0.313 nan 8.250 nan 0.000 0.458 756 T N 1.785 116.298 114.554 -0.068 0.000 2.937 756 T HA 0.024 4.383 4.350 0.017 0.000 0.260 756 T C 1.392 175.999 174.700 -0.156 0.000 1.051 756 T CA 0.480 62.512 62.100 -0.113 0.000 1.141 756 T CB -0.115 68.608 68.868 -0.242 0.000 0.879 756 T HN 0.274 nan 8.240 nan 0.000 0.459 757 I N -0.173 120.266 120.570 -0.219 0.000 3.640 757 I HA 0.403 4.583 4.170 0.017 0.000 0.288 757 I C -0.079 175.984 176.117 -0.089 0.000 1.248 757 I CA -1.038 60.141 61.300 -0.202 0.000 0.911 757 I CB 0.157 37.956 38.000 -0.334 0.000 1.533 757 I HN -0.225 nan 8.210 nan 0.000 0.686 758 T N 3.333 117.834 114.554 -0.089 0.000 2.849 758 T HA 0.116 4.476 4.350 0.017 0.000 0.289 758 T C -2.190 172.517 174.700 0.011 0.000 1.010 758 T CA -0.250 61.813 62.100 -0.061 0.000 1.161 758 T CB -0.545 68.259 68.868 -0.107 0.000 0.989 758 T HN 0.480 nan 8.240 nan 0.000 0.523 759 P HA 0.144 nan 4.420 nan 0.000 0.273 759 P C 0.955 178.253 177.300 -0.004 0.000 1.250 759 P CA -0.671 62.446 63.100 0.027 0.000 0.793 759 P CB 0.680 32.405 31.700 0.041 0.000 1.011 760 K N 0.447 120.740 120.400 -0.179 0.000 2.097 760 K HA -0.179 4.151 4.320 0.017 0.000 0.206 760 K C 1.819 178.405 176.600 -0.023 0.000 1.049 760 K CA 1.381 57.416 56.287 -0.420 0.000 0.933 760 K CB -0.587 31.361 32.500 -0.920 0.000 0.717 760 K HN 0.277 nan 8.250 nan 0.000 0.442 761 F N 2.284 122.237 119.950 0.006 0.000 2.069 761 F HA -0.206 4.330 4.527 0.016 0.000 0.298 761 F C 2.114 177.802 175.800 -0.185 0.000 1.113 761 F CA 1.972 59.865 58.000 -0.178 0.000 1.214 761 F CB -0.386 38.472 39.000 -0.236 0.000 0.978 761 F HN 0.118 nan 8.300 nan 0.000 0.474 762 Q N -0.526 119.168 119.800 -0.177 0.000 2.224 762 Q HA -0.126 4.224 4.340 0.017 0.000 0.203 762 Q C 2.116 177.967 176.000 -0.248 0.000 0.970 762 Q CA 2.062 57.716 55.803 -0.248 0.000 0.865 762 Q CB -0.670 28.023 28.738 -0.075 0.000 0.922 762 Q HN 0.354 nan 8.270 nan 0.000 0.445 763 T N 0.815 115.280 114.554 -0.150 0.000 2.746 763 T HA -0.107 4.253 4.350 0.017 0.000 0.267 763 T C 1.650 176.248 174.700 -0.170 0.000 1.039 763 T CA 0.978 63.015 62.100 -0.105 0.000 1.142 763 T CB -0.201 68.723 68.868 0.094 0.000 0.866 763 T HN 0.197 nan 8.240 nan 0.000 0.444 764 L N 0.293 121.389 121.223 -0.211 0.000 2.083 764 L HA -0.073 4.277 4.340 0.017 0.000 0.209 764 L C 2.326 179.099 176.870 -0.162 0.000 1.083 764 L CA 0.697 55.426 54.840 -0.185 0.000 0.752 764 L CB -0.566 41.378 42.059 -0.192 0.000 0.899 764 L HN 0.228 nan 8.230 nan 0.000 0.433 765 I N -0.040 120.340 120.570 -0.317 0.000 2.286 765 I HA -0.236 3.944 4.170 0.017 0.000 0.245 765 I C 2.257 178.318 176.117 -0.092 0.000 1.104 765 I CA 1.328 62.494 61.300 -0.223 0.000 1.397 765 I CB -1.087 36.713 38.000 -0.334 0.000 1.072 765 I HN 0.263 nan 8.210 nan 0.000 0.417 766 D N 0.734 121.051 120.400 -0.139 0.000 2.104 766 D HA -0.194 4.456 4.640 0.017 0.000 0.194 766 D C 2.128 178.429 176.300 0.002 0.000 0.994 766 D CA 1.289 55.231 54.000 -0.097 0.000 0.830 766 D CB 0.037 40.720 40.800 -0.196 0.000 0.959 766 D HN 0.052 nan 8.370 nan 0.000 0.452 767 L N 0.314 121.519 121.223 -0.030 0.000 2.046 767 L HA -0.091 4.259 4.340 0.017 0.000 0.208 767 L C 2.610 179.668 176.870 0.313 0.000 1.077 767 L CA 1.333 56.202 54.840 0.050 0.000 0.747 767 L CB -0.914 40.940 42.059 -0.342 0.000 0.896 767 L HN -0.005 nan 8.230 nan 0.000 0.432 768 S N -1.243 114.671 115.700 0.356 0.000 2.368 768 S HA -0.143 4.337 4.470 0.017 0.000 0.225 768 S C 2.050 176.808 174.600 0.263 0.000 1.030 768 S CA 1.328 59.809 58.200 0.467 0.000 0.999 768 S CB -0.261 63.197 63.200 0.431 0.000 0.844 768 S HN 0.233 nan 8.310 nan 0.000 0.459 769 V N 2.823 122.840 119.914 0.172 0.000 2.379 769 V HA -0.097 4.033 4.120 0.017 0.000 0.245 769 V C 2.161 178.331 176.094 0.127 0.000 1.044 769 V CA 1.605 63.979 62.300 0.123 0.000 1.036 769 V CB -0.732 31.147 31.823 0.093 0.000 0.664 769 V HN 0.648 nan 8.190 nan 0.000 0.453 770 I N -1.528 119.139 120.570 0.162 0.000 2.546 770 I HA -0.121 4.058 4.170 0.017 0.000 0.255 770 I C 2.255 178.504 176.117 0.220 0.000 1.163 770 I CA 1.712 63.114 61.300 0.171 0.000 1.457 770 I CB -0.480 37.619 38.000 0.165 0.000 1.092 770 I HN 0.341 nan 8.210 nan 0.000 0.434 771 E N 1.947 122.295 120.200 0.247 0.000 2.051 771 E HA -0.206 4.154 4.350 0.017 0.000 0.192 771 E C 2.268 178.861 176.600 -0.012 0.000 0.991 771 E CA 1.830 58.242 56.400 0.019 0.000 0.799 771 E CB -0.096 29.565 29.700 -0.064 0.000 0.748 771 E HN 0.650 nan 8.360 nan 0.000 0.449 772 I N 0.664 121.250 120.570 0.028 0.000 2.179 772 I HA -0.283 3.897 4.170 0.017 0.000 0.242 772 I C 2.306 178.447 176.117 0.040 0.000 1.088 772 I CA 0.515 61.827 61.300 0.020 0.000 1.357 772 I CB -0.224 37.795 38.000 0.031 0.000 1.051 772 I HN 0.200 nan 8.210 nan 0.000 0.409 773 L N 0.406 121.652 121.223 0.037 0.000 2.043 773 L HA -0.232 4.118 4.340 0.017 0.000 0.212 773 L C 2.431 179.257 176.870 -0.073 0.000 1.075 773 L CA 1.791 56.623 54.840 -0.014 0.000 0.752 773 L CB -1.161 40.872 42.059 -0.043 0.000 0.891 773 L HN 0.175 nan 8.230 nan 0.000 0.432 774 S N -1.111 114.605 115.700 0.027 0.000 2.607 774 S HA 0.063 4.543 4.470 0.017 0.000 0.224 774 S C 0.823 175.609 174.600 0.310 0.000 0.969 774 S CA 0.133 58.428 58.200 0.158 0.000 0.927 774 S CB -0.249 63.082 63.200 0.219 0.000 0.772 774 S HN 0.305 nan 8.310 nan 0.000 0.533 775 R N 1.574 122.206 120.500 0.221 0.000 2.474 775 R HA 0.367 4.717 4.340 0.017 0.000 0.295 775 R C -0.508 175.965 176.300 0.288 0.000 0.980 775 R CA -0.445 55.800 56.100 0.241 0.000 0.934 775 R CB 0.771 31.147 30.300 0.127 0.000 1.101 775 R HN 0.433 nan 8.270 nan 0.000 0.469 776 H N 0.777 119.934 119.070 0.144 0.000 2.489 776 H HA 0.246 4.811 4.556 0.015 0.000 0.322 776 H C 0.091 175.447 175.328 0.046 0.000 1.091 776 H CA -0.677 55.429 56.048 0.096 0.000 1.291 776 H CB 1.732 31.515 29.762 0.035 0.000 1.436 776 H HN 0.657 nan 8.280 nan 0.000 0.480 777 A N 1.914 124.819 122.820 0.143 0.000 2.492 777 A HA -0.026 4.304 4.320 0.017 0.000 0.236 777 A C 1.540 179.153 177.584 0.048 0.000 1.078 777 A CA 0.284 52.340 52.037 0.031 0.000 0.773 777 A CB 0.125 19.096 19.000 -0.049 0.000 1.023 777 A HN 0.887 nan 8.150 nan 0.000 0.504 778 S N -0.202 115.511 115.700 0.021 0.000 2.481 778 S HA -0.095 4.385 4.470 0.017 0.000 0.231 778 S C 0.555 175.179 174.600 0.039 0.000 0.996 778 S CA 1.146 59.366 58.200 0.033 0.000 0.942 778 S CB -0.290 62.923 63.200 0.021 0.000 0.768 778 S HN 0.792 nan 8.310 nan 0.000 0.520 779 D N 0.103 120.520 120.400 0.028 0.000 2.424 779 D HA 0.249 4.899 4.640 0.017 0.000 0.220 779 D C 0.152 176.437 176.300 -0.026 0.000 1.150 779 D CA -0.481 53.537 54.000 0.029 0.000 0.831 779 D CB -0.383 40.456 40.800 0.066 0.000 0.981 779 D HN 0.322 nan 8.370 nan 0.000 0.500 780 E N 0.438 120.594 120.200 -0.075 0.000 2.442 780 E HA 0.128 4.488 4.350 0.017 0.000 0.262 780 E C -0.784 175.590 176.600 -0.377 0.000 1.004 780 E CA -0.145 56.094 56.400 -0.268 0.000 0.928 780 E CB 0.887 30.326 29.700 -0.435 0.000 0.937 780 E HN -0.029 nan 8.360 nan 0.000 0.446 781 V N 6.192 125.867 119.914 -0.398 0.000 2.347 781 V HA 0.249 4.379 4.120 0.017 0.000 0.280 781 V C -0.566 175.312 176.094 -0.360 0.000 1.021 781 V CA -0.595 61.542 62.300 -0.273 0.000 0.847 781 V CB 0.083 31.795 31.823 -0.185 0.000 0.990 781 V HN 0.591 nan 8.190 nan 0.000 0.444 782 Y N 2.845 123.120 120.300 -0.043 0.000 2.392 782 Y HA 0.311 4.870 4.550 0.015 0.000 0.323 782 Y C 1.004 176.895 175.900 -0.016 0.000 1.291 782 Y CA -0.447 57.629 58.100 -0.040 0.000 1.345 782 Y CB 0.896 39.303 38.460 -0.089 0.000 1.320 782 Y HN 0.483 nan 8.280 nan 0.000 0.518 783 L N 1.669 122.997 121.223 0.175 0.000 2.093 783 L HA 0.016 4.366 4.340 0.017 0.000 0.208 783 L C 2.194 179.036 176.870 -0.047 0.000 1.085 783 L CA 1.885 56.811 54.840 0.143 0.000 0.755 783 L CB -1.167 40.971 42.059 0.131 0.000 0.904 783 L HN 0.957 nan 8.230 nan 0.000 0.435 784 G N -0.318 108.424 108.800 -0.096 0.000 4.246 784 G HA2 -0.339 3.631 3.960 0.017 0.000 0.212 784 G HA3 -0.339 3.631 3.960 0.017 0.000 0.212 784 G C 0.744 175.430 174.900 -0.356 0.000 1.110 784 G CA 1.182 46.142 45.100 -0.233 0.000 0.633 784 G HN 0.659 nan 8.290 nan 0.000 0.748 785 E N -2.270 117.653 120.200 -0.461 0.000 3.561 785 E HA -0.172 4.188 4.350 0.017 0.000 0.337 785 E C 0.215 176.667 176.600 -0.247 0.000 0.820 785 E CA 0.684 56.675 56.400 -0.682 0.000 1.232 785 E CB -1.850 27.549 29.700 -0.503 0.000 1.604 785 E HN 0.689 nan 8.360 nan 0.000 0.391 786 R N 0.631 121.158 120.500 0.044 0.000 2.460 786 R HA 0.584 4.934 4.340 0.017 0.000 0.303 786 R C -0.818 175.597 176.300 0.192 0.000 0.968 786 R CA -0.507 55.675 56.100 0.136 0.000 0.889 786 R CB 0.947 31.298 30.300 0.084 0.000 1.123 786 R HN 0.124 nan 8.270 nan 0.000 0.455 787 D N 1.256 121.735 120.400 0.132 0.000 2.645 787 D HA 0.140 4.790 4.640 0.017 0.000 0.228 787 D C 0.247 176.535 176.300 -0.021 0.000 1.148 787 D CA -0.592 53.351 54.000 -0.095 0.000 0.860 787 D CB 1.710 42.254 40.800 -0.426 0.000 1.548 787 D HN 0.407 nan 8.370 nan 0.000 0.460 788 N N 1.001 119.672 118.700 -0.048 0.000 2.139 788 N HA -0.175 4.575 4.740 0.017 0.000 0.193 788 N C -0.912 174.659 175.510 0.103 0.000 0.975 788 N CA 2.509 55.585 53.050 0.043 0.000 0.893 788 N CB -0.724 37.810 38.487 0.077 0.000 1.073 788 N HN 0.547 nan 8.380 nan 0.000 0.661 789 P HA 0.317 nan 4.420 nan 0.000 0.422 789 P C -0.966 176.448 177.300 0.190 0.000 0.810 789 P CA -0.008 63.189 63.100 0.161 0.000 1.956 789 P CB 0.818 32.611 31.700 0.155 0.000 1.159 790 N N 0.552 119.334 118.700 0.136 0.000 2.752 790 N HA 0.157 4.907 4.740 0.017 0.000 0.260 790 N C 0.571 176.082 175.510 0.001 0.000 1.562 790 N CA -0.438 52.615 53.050 0.004 0.000 0.788 790 N CB 0.176 38.546 38.487 -0.195 0.000 1.192 790 N HN 0.431 nan 8.380 nan 0.000 0.503 791 W N 0.213 121.503 121.300 -0.016 0.000 2.519 791 W HA 0.158 4.828 4.660 0.017 0.000 0.266 791 W C -0.269 176.265 176.519 0.025 0.000 1.253 791 W CA 0.223 57.582 57.345 0.023 0.000 1.274 791 W CB -0.197 29.269 29.460 0.010 0.000 1.114 791 W HN 0.167 nan 8.180 nan 0.000 0.596 792 T N 0.436 114.653 114.554 -0.562 0.000 2.923 792 T HA 0.262 4.622 4.350 0.017 0.000 0.311 792 T C 0.550 174.993 174.700 -0.427 0.000 1.183 792 T CA 0.098 61.903 62.100 -0.492 0.000 1.020 792 T CB 1.604 70.105 68.868 -0.612 0.000 1.165 792 T HN -0.016 nan 8.240 nan 0.000 0.482 793 S N 1.935 117.469 115.700 -0.276 0.000 2.605 793 S HA 0.171 4.651 4.470 0.017 0.000 0.217 793 S C 0.235 174.723 174.600 -0.186 0.000 0.958 793 S CA -0.225 57.852 58.200 -0.205 0.000 0.919 793 S CB -0.105 63.005 63.200 -0.149 0.000 0.780 793 S HN 0.674 nan 8.310 nan 0.000 0.507 794 D N 1.630 121.898 120.400 -0.219 0.000 2.380 794 D HA 0.279 4.929 4.640 0.017 0.000 0.230 794 D C 0.778 176.994 176.300 -0.139 0.000 1.154 794 D CA 0.013 53.922 54.000 -0.151 0.000 0.859 794 D CB 1.288 42.033 40.800 -0.092 0.000 1.045 794 D HN 0.028 nan 8.370 nan 0.000 0.495 795 T N 3.552 118.047 114.554 -0.098 0.000 2.915 795 T HA -0.102 4.258 4.350 0.017 0.000 0.269 795 T C 1.789 176.480 174.700 -0.014 0.000 1.071 795 T CA 1.006 63.070 62.100 -0.059 0.000 1.132 795 T CB 0.142 68.981 68.868 -0.048 0.000 0.878 795 T HN 0.418 nan 8.240 nan 0.000 0.479 796 R N 1.268 121.750 120.500 -0.029 0.000 2.075 796 R HA 0.128 4.478 4.340 0.017 0.000 0.232 796 R C 2.756 179.108 176.300 0.086 0.000 1.126 796 R CA 1.255 57.356 56.100 0.001 0.000 0.963 796 R CB -0.436 29.821 30.300 -0.071 0.000 0.858 796 R HN 0.300 nan 8.270 nan 0.000 0.435 797 A N 1.098 123.970 122.820 0.087 0.000 1.898 797 A HA -0.104 4.226 4.320 0.017 0.000 0.216 797 A C 1.946 179.802 177.584 0.455 0.000 1.181 797 A CA 1.026 53.262 52.037 0.331 0.000 0.620 797 A CB -0.344 18.857 19.000 0.336 0.000 0.819 797 A HN 0.075 nan 8.150 nan 0.000 0.442 798 L N 0.327 121.664 121.223 0.189 0.000 2.012 798 L HA -0.164 4.186 4.340 0.017 0.000 0.210 798 L C 2.512 179.570 176.870 0.312 0.000 1.073 798 L CA 1.828 56.810 54.840 0.236 0.000 0.748 798 L CB -1.307 40.781 42.059 0.048 0.000 0.891 798 L HN 0.436 nan 8.230 nan 0.000 0.431 799 E N -0.581 119.747 120.200 0.214 0.000 2.072 799 E HA -0.151 4.209 4.350 0.017 0.000 0.191 799 E C 2.223 178.968 176.600 0.241 0.000 0.985 799 E CA 1.332 57.842 56.400 0.182 0.000 0.801 799 E CB -0.177 29.595 29.700 0.119 0.000 0.750 799 E HN 0.451 nan 8.360 nan 0.000 0.452 800 A N 1.035 124.063 122.820 0.345 0.000 1.930 800 A HA -0.162 4.167 4.320 0.017 0.000 0.217 800 A C 2.018 179.872 177.584 0.451 0.000 1.175 800 A CA 0.975 53.273 52.037 0.435 0.000 0.627 800 A CB -0.736 18.618 19.000 0.590 0.000 0.815 800 A HN 0.231 nan 8.150 nan 0.000 0.443 801 F N 0.929 121.057 119.950 0.297 0.000 2.126 801 F HA -0.173 4.363 4.527 0.016 0.000 0.299 801 F C 2.134 177.924 175.800 -0.017 0.000 1.096 801 F CA 2.172 60.105 58.000 -0.111 0.000 1.255 801 F CB -0.207 38.855 39.000 0.102 0.000 0.997 801 F HN 0.165 nan 8.300 nan 0.000 0.479 802 K N 0.875 121.302 120.400 0.044 0.000 2.009 802 K HA -0.173 4.157 4.320 0.017 0.000 0.210 802 K C 2.263 178.810 176.600 -0.089 0.000 1.049 802 K CA 1.674 57.921 56.287 -0.067 0.000 0.929 802 K CB -0.554 31.973 32.500 0.044 0.000 0.714 802 K HN 0.198 nan 8.250 nan 0.000 0.440 803 R N -0.921 119.591 120.500 0.021 0.000 2.117 803 R HA -0.176 4.174 4.340 0.017 0.000 0.243 803 R C 2.294 178.609 176.300 0.026 0.000 1.143 803 R CA 1.649 57.773 56.100 0.040 0.000 0.968 803 R CB -0.557 29.813 30.300 0.116 0.000 0.863 803 R HN 0.267 nan 8.270 nan 0.000 0.444 804 F N 0.764 120.589 119.950 -0.208 0.000 2.102 804 F HA -0.048 4.489 4.527 0.017 0.000 0.298 804 F C 2.226 177.811 175.800 -0.359 0.000 1.105 804 F CA 1.634 59.452 58.000 -0.303 0.000 1.239 804 F CB -0.903 37.748 39.000 -0.581 0.000 0.991 804 F HN -0.025 nan 8.300 nan 0.000 0.474 805 G N -0.076 108.347 108.800 -0.628 0.000 2.442 805 G HA2 -0.367 3.603 3.960 0.017 0.000 0.219 805 G HA3 -0.367 3.603 3.960 0.017 0.000 0.219 805 G C 1.635 176.313 174.900 -0.370 0.000 1.141 805 G CA 0.910 45.650 45.100 -0.600 0.000 0.763 805 G HN 0.528 nan 8.290 nan 0.000 0.554 806 N N 0.067 118.623 118.700 -0.241 0.000 2.188 806 N HA -0.103 4.647 4.740 0.017 0.000 0.184 806 N C 2.154 177.577 175.510 -0.144 0.000 1.018 806 N CA 1.093 54.049 53.050 -0.157 0.000 0.858 806 N CB -0.185 38.245 38.487 -0.095 0.000 0.989 806 N HN 0.317 nan 8.380 nan 0.000 0.426 807 K N 0.947 121.264 120.400 -0.140 0.000 2.009 807 K HA -0.140 4.190 4.320 0.017 0.000 0.210 807 K C 2.181 178.685 176.600 -0.161 0.000 1.049 807 K CA 1.086 57.311 56.287 -0.104 0.000 0.929 807 K CB -0.142 32.334 32.500 -0.039 0.000 0.714 807 K HN 0.149 nan 8.250 nan 0.000 0.440 808 L N 0.529 121.572 121.223 -0.300 0.000 1.990 808 L HA -0.269 4.081 4.340 0.017 0.000 0.213 808 L C 2.640 179.384 176.870 -0.209 0.000 1.072 808 L CA 1.590 56.251 54.840 -0.299 0.000 0.755 808 L CB -0.650 41.124 42.059 -0.476 0.000 0.889 808 L HN 0.354 nan 8.230 nan 0.000 0.432 809 A N -0.530 122.164 122.820 -0.210 0.000 1.917 809 A HA -0.303 4.027 4.320 0.017 0.000 0.219 809 A C 2.189 179.705 177.584 -0.112 0.000 1.182 809 A CA 2.044 53.988 52.037 -0.155 0.000 0.633 809 A CB -0.607 18.307 19.000 -0.144 0.000 0.819 809 A HN 0.566 nan 8.150 nan 0.000 0.448 810 Q N -0.810 118.932 119.800 -0.097 0.000 2.124 810 Q HA -0.085 4.265 4.340 0.017 0.000 0.202 810 Q C 1.950 177.919 176.000 -0.053 0.000 0.977 810 Q CA 1.494 57.258 55.803 -0.065 0.000 0.850 810 Q CB -0.314 28.395 28.738 -0.049 0.000 0.901 810 Q HN 0.744 nan 8.270 nan 0.000 0.429 811 I N 0.615 121.149 120.570 -0.060 0.000 2.439 811 I HA -0.227 3.953 4.170 0.017 0.000 0.251 811 I C 2.403 178.491 176.117 -0.048 0.000 1.139 811 I CA 0.946 62.223 61.300 -0.038 0.000 1.438 811 I CB -0.068 37.910 38.000 -0.036 0.000 1.085 811 I HN 0.247 nan 8.210 nan 0.000 0.427 812 E N 1.186 121.339 120.200 -0.077 0.000 2.106 812 E HA -0.218 4.142 4.350 0.017 0.000 0.192 812 E C 1.844 178.406 176.600 -0.062 0.000 0.984 812 E CA 1.425 57.775 56.400 -0.083 0.000 0.806 812 E CB -0.011 29.620 29.700 -0.115 0.000 0.750 812 E HN 0.532 nan 8.360 nan 0.000 0.458 813 N N 0.112 118.778 118.700 -0.057 0.000 2.106 813 N HA -0.185 4.565 4.740 0.017 0.000 0.188 813 N C 1.870 177.364 175.510 -0.027 0.000 1.029 813 N CA 1.068 54.093 53.050 -0.043 0.000 0.848 813 N CB -0.082 38.380 38.487 -0.041 0.000 1.007 813 N HN 0.040 nan 8.380 nan 0.000 0.423 814 K N 0.822 121.209 120.400 -0.021 0.000 2.044 814 K HA -0.158 4.172 4.320 0.017 0.000 0.210 814 K C 1.739 178.341 176.600 0.004 0.000 1.049 814 K CA 1.154 57.437 56.287 -0.006 0.000 0.927 814 K CB -0.006 32.495 32.500 0.001 0.000 0.713 814 K HN 0.004 nan 8.250 nan 0.000 0.443 815 L N 0.795 122.019 121.223 0.002 0.000 2.109 815 L HA -0.057 4.293 4.340 0.017 0.000 0.207 815 L C 2.257 179.136 176.870 0.014 0.000 1.086 815 L CA 1.498 56.348 54.840 0.017 0.000 0.760 815 L CB -0.767 41.298 42.059 0.009 0.000 0.910 815 L HN 0.132 nan 8.230 nan 0.000 0.437 816 S N -0.966 114.729 115.700 -0.007 0.000 2.383 816 S HA -0.176 4.303 4.470 0.017 0.000 0.227 816 S C 1.886 176.488 174.600 0.004 0.000 1.026 816 S CA 0.914 59.110 58.200 -0.007 0.000 0.981 816 S CB -0.108 63.077 63.200 -0.026 0.000 0.818 816 S HN 0.452 nan 8.310 nan 0.000 0.472 817 E N 1.040 121.241 120.200 0.002 0.000 2.077 817 E HA -0.109 4.251 4.350 0.017 0.000 0.193 817 E C 2.327 178.937 176.600 0.016 0.000 0.989 817 E CA 0.713 57.116 56.400 0.006 0.000 0.800 817 E CB 0.010 29.710 29.700 0.001 0.000 0.746 817 E HN 0.386 nan 8.360 nan 0.000 0.452 818 R N 0.263 120.778 120.500 0.025 0.000 2.091 818 R HA -0.117 4.233 4.340 0.017 0.000 0.238 818 R C 1.958 178.286 176.300 0.047 0.000 1.136 818 R CA 1.604 57.726 56.100 0.037 0.000 0.959 818 R CB -0.378 29.951 30.300 0.049 0.000 0.856 818 R HN 0.256 nan 8.270 nan 0.000 0.437 819 N N 0.227 118.959 118.700 0.053 0.000 2.453 819 N HA -0.098 4.651 4.740 0.017 0.000 0.183 819 N C 0.713 176.251 175.510 0.047 0.000 1.041 819 N CA 0.669 53.757 53.050 0.064 0.000 0.900 819 N CB -0.047 38.481 38.487 0.069 0.000 0.961 819 N HN 0.328 nan 8.380 nan 0.000 0.443 820 N N 0.195 118.914 118.700 0.032 0.000 2.270 820 N HA -0.026 4.724 4.740 0.017 0.000 0.198 820 N C -0.693 174.830 175.510 0.021 0.000 1.117 820 N CA -0.103 52.961 53.050 0.024 0.000 0.845 820 N CB 0.418 38.914 38.487 0.014 0.000 0.980 820 N HN 0.095 nan 8.380 nan 0.000 0.486 821 D N 1.783 122.198 120.400 0.025 0.000 2.422 821 D HA -0.041 4.609 4.640 0.017 0.000 0.227 821 D C 1.213 177.526 176.300 0.023 0.000 1.190 821 D CA -0.143 53.869 54.000 0.020 0.000 0.905 821 D CB 0.557 41.370 40.800 0.020 0.000 1.034 821 D HN 0.246 nan 8.370 nan 0.000 0.507 822 E N 3.742 123.954 120.200 0.019 0.000 2.333 822 E HA -0.243 4.117 4.350 0.017 0.000 0.200 822 E C 0.508 177.118 176.600 0.017 0.000 1.010 822 E CA 1.060 57.471 56.400 0.019 0.000 0.841 822 E CB -0.075 29.633 29.700 0.015 0.000 0.757 822 E HN 0.480 nan 8.360 nan 0.000 0.508 823 K N 0.316 120.724 120.400 0.014 0.000 2.365 823 K HA 0.164 4.494 4.320 0.017 0.000 0.197 823 K C 0.719 177.326 176.600 0.012 0.000 1.042 823 K CA 0.225 56.519 56.287 0.011 0.000 0.987 823 K CB 0.160 32.665 32.500 0.008 0.000 0.779 823 K HN 0.139 nan 8.250 nan 0.000 0.484 824 L N 2.065 123.299 121.223 0.019 0.000 2.397 824 L HA 0.250 4.600 4.340 0.017 0.000 0.263 824 L C 1.324 178.211 176.870 0.028 0.000 1.136 824 L CA -0.566 54.287 54.840 0.021 0.000 1.019 824 L CB 0.466 42.542 42.059 0.028 0.000 1.352 824 L HN -0.044 nan 8.230 nan 0.000 0.420 825 R N 1.709 122.222 120.500 0.021 0.000 2.120 825 R HA -0.107 4.243 4.340 0.017 0.000 0.234 825 R C 1.416 177.736 176.300 0.033 0.000 1.123 825 R CA 1.231 57.347 56.100 0.026 0.000 0.975 825 R CB -0.059 30.251 30.300 0.017 0.000 0.866 825 R HN 0.535 nan 8.270 nan 0.000 0.446 826 N N 0.675 119.387 118.700 0.020 0.000 2.453 826 N HA -0.098 4.652 4.740 0.017 0.000 0.183 826 N C 1.494 177.031 175.510 0.046 0.000 1.041 826 N CA 0.671 53.730 53.050 0.016 0.000 0.900 826 N CB -0.167 38.308 38.487 -0.020 0.000 0.961 826 N HN 0.289 nan 8.380 nan 0.000 0.443 827 R N -0.741 119.799 120.500 0.067 0.000 2.189 827 R HA 0.111 4.461 4.340 0.017 0.000 0.218 827 R C 1.449 177.855 176.300 0.177 0.000 1.074 827 R CA 0.611 56.785 56.100 0.123 0.000 0.991 827 R CB 0.054 30.423 30.300 0.115 0.000 0.883 827 R HN 0.247 nan 8.270 nan 0.000 0.457 828 C N -1.306 118.073 119.300 0.132 0.000 2.370 828 C HA 0.390 4.860 4.460 0.017 0.000 0.348 828 C C 1.193 176.254 174.990 0.118 0.000 1.477 828 C CA 0.497 59.590 59.018 0.125 0.000 2.302 828 C CB -0.057 27.734 27.740 0.084 0.000 2.220 828 C HN 0.733 nan 8.230 nan 0.000 0.625 829 G N 1.559 110.413 108.800 0.090 0.000 2.804 829 G HA2 -0.180 3.790 3.960 0.017 0.000 0.230 829 G HA3 -0.180 3.790 3.960 0.017 0.000 0.230 829 G C -1.925 173.016 174.900 0.070 0.000 1.386 829 G CA 0.031 45.179 45.100 0.081 0.000 0.875 829 G HN 0.210 nan 8.290 nan 0.000 0.557 830 P HA -0.015 nan 4.420 nan 0.000 0.222 830 P C 1.835 179.168 177.300 0.055 0.000 1.147 830 P CA 1.282 64.413 63.100 0.052 0.000 0.790 830 P CB -0.008 31.721 31.700 0.048 0.000 0.780 831 V N -0.486 119.473 119.914 0.076 0.000 3.217 831 V HA -0.051 4.079 4.120 0.017 0.000 0.264 831 V C 0.762 176.879 176.094 0.037 0.000 1.135 831 V CA 0.891 63.232 62.300 0.068 0.000 1.142 831 V CB -1.296 30.588 31.823 0.101 0.000 0.754 831 V HN 0.195 nan 8.190 nan 0.000 0.484 832 Q N 0.311 120.140 119.800 0.049 0.000 2.454 832 Q HA -0.232 4.118 4.340 0.017 0.000 0.341 832 Q C -0.074 175.945 176.000 0.031 0.000 1.437 832 Q CA 1.109 56.936 55.803 0.040 0.000 0.935 832 Q CB -1.074 27.678 28.738 0.023 0.000 1.164 832 Q HN 0.689 nan 8.270 nan 0.000 0.373 833 M N 1.115 120.752 119.600 0.061 0.000 1.960 833 M HA 0.310 4.800 4.480 0.017 0.000 0.271 833 M C -2.592 173.813 176.300 0.174 0.000 0.862 833 M CA -1.754 53.571 55.300 0.041 0.000 0.854 833 M CB 1.429 33.992 32.600 -0.062 0.000 1.575 833 M HN -0.200 nan 8.290 nan 0.000 0.375 834 P HA -0.128 nan 4.420 nan 0.000 0.260 834 P C -1.462 176.046 177.300 0.347 0.000 1.172 834 P CA 0.448 63.681 63.100 0.222 0.000 0.760 834 P CB -0.015 31.771 31.700 0.142 0.000 0.773 835 Y N 3.405 123.824 120.300 0.199 0.000 2.637 835 Y HA 0.081 4.641 4.550 0.017 0.000 0.350 835 Y C 1.080 176.976 175.900 -0.005 0.000 1.069 835 Y CA 1.076 59.272 58.100 0.159 0.000 1.397 835 Y CB 0.070 38.626 38.460 0.160 0.000 1.163 835 Y HN 0.284 nan 8.280 nan 0.000 0.527 836 T N 6.808 121.056 114.554 -0.510 0.000 3.145 836 T HA 0.070 4.430 4.350 0.017 0.000 0.281 836 T C 1.168 175.450 174.700 -0.697 0.000 1.003 836 T CA -0.161 61.662 62.100 -0.462 0.000 0.901 836 T CB -0.037 68.695 68.868 -0.227 0.000 1.112 836 T HN 0.471 nan 8.240 nan 0.000 0.535 837 L N 1.071 121.632 121.223 -1.103 0.000 2.362 837 L HA 0.207 4.557 4.340 0.017 0.000 0.219 837 L C 1.264 177.898 176.870 -0.393 0.000 1.134 837 L CA 1.208 55.569 54.840 -0.799 0.000 0.807 837 L CB -0.331 41.202 42.059 -0.876 0.000 0.927 837 L HN 0.258 nan 8.230 nan 0.000 0.447 838 L N -0.820 120.195 121.223 -0.347 0.000 2.769 838 L HA 0.203 4.553 4.340 0.017 0.000 0.240 838 L C -0.013 176.793 176.870 -0.106 0.000 1.163 838 L CA -0.284 54.485 54.840 -0.117 0.000 0.962 838 L CB -0.409 41.672 42.059 0.037 0.000 1.258 838 L HN -0.023 nan 8.230 nan 0.000 0.513 839 L N 1.769 122.887 121.223 -0.174 0.000 2.410 839 L HA 0.171 4.521 4.340 0.017 0.000 0.273 839 L C -0.957 175.811 176.870 -0.169 0.000 1.144 839 L CA -1.054 53.691 54.840 -0.158 0.000 0.863 839 L CB 0.174 42.123 42.059 -0.184 0.000 1.140 839 L HN -0.034 nan 8.230 nan 0.000 0.463 840 P HA -0.064 nan 4.420 nan 0.000 0.218 840 P C 0.371 177.514 177.300 -0.262 0.000 1.149 840 P CA 0.771 63.777 63.100 -0.157 0.000 0.817 840 P CB 0.340 31.944 31.700 -0.160 0.000 0.785 841 S N -0.888 114.596 115.700 -0.360 0.000 2.616 841 S HA 0.517 4.997 4.470 0.017 0.000 0.277 841 S C -0.048 174.160 174.600 -0.653 0.000 1.234 841 S CA -0.181 57.692 58.200 -0.546 0.000 1.028 841 S CB 0.380 63.362 63.200 -0.363 0.000 0.988 841 S HN 0.029 nan 8.310 nan 0.000 0.522 842 S N 0.879 116.030 115.700 -0.914 0.000 2.543 842 S HA 0.293 4.773 4.470 0.017 0.000 0.274 842 S C 0.271 174.530 174.600 -0.569 0.000 1.149 842 S CA -0.784 57.004 58.200 -0.687 0.000 0.866 842 S CB 0.880 63.603 63.200 -0.795 0.000 1.111 842 S HN 0.777 nan 8.310 nan 0.000 0.457 843 K N 2.236 122.430 120.400 -0.344 0.000 2.366 843 K HA 0.179 4.509 4.320 0.017 0.000 0.198 843 K C 0.167 176.667 176.600 -0.166 0.000 1.044 843 K CA 0.909 57.064 56.287 -0.220 0.000 0.973 843 K CB -0.072 32.344 32.500 -0.140 0.000 0.767 843 K HN 0.751 nan 8.250 nan 0.000 0.475 844 E N -0.771 119.301 120.200 -0.213 0.000 6.645 844 E HA -0.040 4.320 4.350 0.017 0.000 0.511 844 E C -0.206 176.394 176.600 0.000 0.000 0.612 844 E CA 0.119 56.491 56.400 -0.048 0.000 2.555 844 E CB -0.838 28.858 29.700 -0.007 0.000 0.845 844 E HN 0.507 nan 8.360 nan 0.000 0.262 845 G N 1.815 110.664 108.800 0.082 0.000 2.527 845 G HA2 -0.180 3.790 3.960 0.017 0.000 0.227 845 G HA3 -0.180 3.790 3.960 0.017 0.000 0.227 845 G C -0.875 174.114 174.900 0.148 0.000 1.291 845 G CA -0.321 44.828 45.100 0.081 0.000 0.904 845 G HN 0.962 nan 8.290 nan 0.000 0.577 846 L N 1.788 123.068 121.223 0.094 0.000 2.356 846 L HA 0.670 5.020 4.340 0.017 0.000 0.282 846 L C 0.897 177.843 176.870 0.126 0.000 1.132 846 L CA 0.585 55.497 54.840 0.120 0.000 0.923 846 L CB 0.195 42.269 42.059 0.026 0.000 1.278 846 L HN 0.825 nan 8.230 nan 0.000 0.436 847 T N 3.048 117.710 114.554 0.180 0.000 2.930 847 T HA 0.393 4.753 4.350 0.017 0.000 0.290 847 T C -0.565 174.261 174.700 0.209 0.000 1.052 847 T CA -0.356 61.810 62.100 0.111 0.000 1.017 847 T CB 1.071 69.945 68.868 0.010 0.000 1.137 847 T HN 0.247 nan 8.240 nan 0.000 0.511 848 F N 4.791 124.715 119.950 -0.043 0.000 2.701 848 F HA 0.561 5.098 4.527 0.016 0.000 0.315 848 F C 0.114 175.882 175.800 -0.052 0.000 1.277 848 F CA -0.641 57.346 58.000 -0.021 0.000 1.180 848 F CB -0.303 38.670 39.000 -0.046 0.000 1.273 848 F HN 0.562 nan 8.300 nan 0.000 0.532 849 R N 0.267 120.688 120.500 -0.131 0.000 2.789 849 R HA 0.701 5.051 4.340 0.017 0.000 0.279 849 R C -0.612 175.553 176.300 -0.225 0.000 1.010 849 R CA -0.935 55.015 56.100 -0.250 0.000 0.855 849 R CB 0.578 30.727 30.300 -0.250 0.000 1.312 849 R HN 0.799 nan 8.270 nan 0.000 0.479 850 G N 0.593 109.240 108.800 -0.254 0.000 3.322 850 G HA2 0.059 4.029 3.960 0.017 0.000 0.686 850 G HA3 0.059 4.029 3.960 0.017 0.000 0.686 850 G C -1.287 173.636 174.900 0.038 0.000 1.015 850 G CA -0.508 44.471 45.100 -0.201 0.000 0.826 850 G HN 0.370 nan 8.290 nan 0.000 0.538 851 I N 4.958 125.605 120.570 0.129 0.000 2.337 851 I HA 0.373 4.553 4.170 0.017 0.000 0.285 851 I C -1.794 174.487 176.117 0.273 0.000 1.041 851 I CA -3.131 58.273 61.300 0.173 0.000 1.199 851 I CB 1.312 39.366 38.000 0.090 0.000 1.370 851 I HN 0.172 nan 8.210 nan 0.000 0.470 852 P HA 0.171 nan 4.420 nan 0.000 0.272 852 P C 0.653 177.996 177.300 0.072 0.000 1.223 852 P CA -0.121 62.965 63.100 -0.023 0.000 0.784 852 P CB 0.712 32.448 31.700 0.060 0.000 0.923 853 N N -0.397 118.311 118.700 0.014 0.000 2.289 853 N HA -0.077 4.673 4.740 0.017 0.000 0.184 853 N C 0.740 176.379 175.510 0.214 0.000 1.016 853 N CA 1.124 54.269 53.050 0.157 0.000 0.872 853 N CB -0.167 38.249 38.487 -0.118 0.000 0.973 853 N HN 0.528 nan 8.380 nan 0.000 0.433 854 S N -1.151 114.577 115.700 0.046 0.000 2.732 854 S HA 0.573 5.053 4.470 0.017 0.000 0.293 854 S C -0.471 174.096 174.600 -0.055 0.000 1.159 854 S CA -0.882 57.322 58.200 0.007 0.000 0.847 854 S CB 1.340 64.491 63.200 -0.082 0.000 1.169 854 S HN -0.030 nan 8.310 nan 0.000 0.501 855 I N 2.826 123.263 120.570 -0.221 0.000 2.281 855 I HA 0.250 4.430 4.170 0.017 0.000 0.293 855 I C 0.883 176.823 176.117 -0.296 0.000 1.085 855 I CA -0.110 60.816 61.300 -0.624 0.000 1.257 855 I CB 1.126 38.587 38.000 -0.898 0.000 1.430 855 I HN 0.832 nan 8.210 nan 0.000 0.489 856 S N 6.083 121.719 115.700 -0.106 0.000 2.603 856 S HA 0.501 4.980 4.470 0.017 0.000 0.232 856 S C 0.172 174.812 174.600 0.067 0.000 1.016 856 S CA -0.283 57.903 58.200 -0.023 0.000 0.976 856 S CB 0.375 63.555 63.200 -0.033 0.000 0.921 856 S HN 0.543 nan 8.310 nan 0.000 0.516 857 I N 0.000 120.643 120.570 0.122 0.000 2.984 857 I HA 0.000 4.180 4.170 0.017 0.000 0.288 857 I CA 0.000 61.406 61.300 0.177 0.000 1.566 857 I CB 0.000 38.077 38.000 0.128 0.000 1.214 857 I HN 0.000 nan 8.210 nan 0.000 0.494