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 1hp1_1_A DATA FIRST_RESID 26 DATA SEQUENCE YEQDKTYKIT VLHTNDHHGH FWRNEYGEYG LAAQKTLVDG IRKEVAAEGG DATA SEQUENCE SVLLLSGGDI NTGVPESDLQ DAEPDFRGMN LVGYDAMAIG NHEFDNPLTV DATA SEQUENCE LRQQEKWAKF PLLSANIYQK STGERLFKPW ALFKRQDLKI AVIGLTTDDT DATA SEQUENCE AKIGNPEYFT DIEFRKPADE AKLVIQELQQ TEKPDIIIAA THMGHYDNGE DATA SEQUENCE HGSNAPGDVE MARALPAGSL AMIVGGHSQD PVcMAAENKK QVDYVPGTPc DATA SEQUENCE KPDQQNGIWI VQAHEWGKYV GRADFEFRNG EMKMVNYQLI PVNLKKKXXX DATA SEQUENCE XXXXXXRVLY TPEIAENQQM ISLLSPFQNK GKAQLEVKIG ETNGRLEGDR DATA SEQUENCE DKVRFVQTNM GRLILAAQMD RTGADFAVMS GGGIRDSIEA GDISYKNVLK DATA SEQUENCE VQPFGNVVVY ADMTGKEVID YLTAVAQMKP DSGAYPQFAN VSFVAKDGKL DATA SEQUENCE NDLKIKGEPV DPAKTYRMAT LNFNATGGDG YPRLDNKPGY VNTGFIDAEV DATA SEQUENCE LKAYIQKSSP LDVSVYEPKG EVSWQ 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 26 Y HA 0.000 nan 4.550 nan 0.000 0.201 26 Y C 0.000 176.028 175.900 0.213 0.000 1.272 26 Y CA 0.000 58.191 58.100 0.152 0.000 1.940 26 Y CB 0.000 38.565 38.460 0.176 0.000 1.050 27 E N 1.851 122.409 120.200 0.597 0.000 2.259 27 E HA 0.204 4.556 4.350 0.005 0.000 0.281 27 E C -0.637 176.248 176.600 0.476 0.000 1.037 27 E CA -0.625 56.003 56.400 0.380 0.000 0.854 27 E CB 0.939 30.795 29.700 0.259 0.000 1.051 27 E HN 0.629 nan 8.360 nan 0.000 0.409 28 Q N 3.229 123.216 119.800 0.311 0.000 2.361 28 Q HA -0.074 4.269 4.340 0.005 0.000 0.276 28 Q C -0.472 175.644 176.000 0.193 0.000 1.022 28 Q CA 1.044 57.023 55.803 0.294 0.000 0.898 28 Q CB 0.446 29.280 28.738 0.160 0.000 1.246 28 Q HN 0.613 nan 8.270 nan 0.000 0.410 29 D N 0.553 121.046 120.400 0.155 0.000 3.070 29 D HA -0.232 4.411 4.640 0.005 0.000 0.220 29 D C -0.642 175.679 176.300 0.036 0.000 1.176 29 D CA 1.266 55.305 54.000 0.066 0.000 0.924 29 D CB -0.843 39.984 40.800 0.046 0.000 1.124 29 D HN 0.583 nan 8.370 nan 0.000 0.411 30 K N 0.607 121.045 120.400 0.064 0.000 2.205 30 K HA 0.340 4.663 4.320 0.005 0.000 0.279 30 K C -0.562 175.975 176.600 -0.104 0.000 1.027 30 K CA -0.075 56.166 56.287 -0.077 0.000 0.932 30 K CB 0.914 33.310 32.500 -0.173 0.000 1.032 30 K HN -0.205 nan 8.250 nan 0.000 0.466 31 T N 4.261 118.720 114.554 -0.159 0.000 2.743 31 T HA 0.268 4.621 4.350 0.005 0.000 0.292 31 T C -1.189 173.456 174.700 -0.090 0.000 0.972 31 T CA -0.301 61.773 62.100 -0.043 0.000 0.967 31 T CB 0.031 68.887 68.868 -0.020 0.000 0.926 31 T HN 0.325 nan 8.240 nan 0.000 0.459 32 Y N 2.156 122.530 120.300 0.123 0.000 2.330 32 Y HA 0.420 4.973 4.550 0.005 0.000 0.336 32 Y C 0.849 176.816 175.900 0.113 0.000 1.036 32 Y CA -0.938 57.233 58.100 0.119 0.000 1.125 32 Y CB 1.073 39.615 38.460 0.138 0.000 1.194 32 Y HN 0.329 nan 8.280 nan 0.000 0.469 33 K N 4.677 125.202 120.400 0.208 0.000 2.240 33 K HA 0.600 4.923 4.320 0.005 0.000 0.271 33 K C -1.192 175.499 176.600 0.152 0.000 1.018 33 K CA -0.321 56.059 56.287 0.155 0.000 0.874 33 K CB 1.101 33.652 32.500 0.086 0.000 1.098 33 K HN 0.567 nan 8.250 nan 0.000 0.458 34 I N 1.881 122.553 120.570 0.170 0.000 2.466 34 I HA 0.194 4.367 4.170 0.005 0.000 0.289 34 I C -0.396 175.820 176.117 0.166 0.000 1.026 34 I CA -0.592 60.787 61.300 0.133 0.000 1.078 34 I CB 2.337 40.393 38.000 0.093 0.000 1.249 34 I HN 0.414 nan 8.210 nan 0.000 0.429 35 T N 5.536 120.148 114.554 0.096 0.000 2.770 35 T HA 0.470 4.823 4.350 0.005 0.000 0.283 35 T C -0.324 174.421 174.700 0.074 0.000 0.988 35 T CA -0.425 61.728 62.100 0.088 0.000 0.957 35 T CB 1.490 70.371 68.868 0.022 0.000 0.930 35 T HN 0.167 nan 8.240 nan 0.000 0.443 36 V N 5.819 125.818 119.914 0.142 0.000 2.370 36 V HA 0.449 4.572 4.120 0.005 0.000 0.283 36 V C -0.070 176.098 176.094 0.123 0.000 1.023 36 V CA -0.754 61.611 62.300 0.109 0.000 0.857 36 V CB 1.037 32.961 31.823 0.167 0.000 0.985 36 V HN 0.719 nan 8.190 nan 0.000 0.443 37 L N 5.835 127.086 121.223 0.045 0.000 2.334 37 L HA 0.771 5.114 4.340 0.005 0.000 0.275 37 L C -0.290 176.640 176.870 0.100 0.000 1.036 37 L CA -0.553 54.298 54.840 0.019 0.000 0.807 37 L CB 1.576 43.573 42.059 -0.103 0.000 1.231 37 L HN 0.958 nan 8.230 nan 0.000 0.438 38 H N -0.661 118.408 119.070 -0.001 0.000 3.037 38 H HA 0.784 5.343 4.556 0.005 0.000 0.355 38 H C -1.106 174.284 175.328 0.103 0.000 1.263 38 H CA -0.805 55.277 56.048 0.057 0.000 1.129 38 H CB 1.837 31.654 29.762 0.091 0.000 1.861 38 H HN 0.557 nan 8.280 nan 0.000 0.546 39 T N 0.257 114.920 114.554 0.182 0.000 2.787 39 T HA 0.600 4.953 4.350 0.005 0.000 0.297 39 T C -1.216 173.617 174.700 0.221 0.000 1.221 39 T CA -0.902 61.292 62.100 0.158 0.000 1.006 39 T CB 2.106 71.094 68.868 0.199 0.000 1.328 39 T HN 1.184 nan 8.240 nan 0.000 0.509 40 N N -0.878 117.935 118.700 0.188 0.000 2.859 40 N HA 0.257 5.000 4.740 0.005 0.000 0.250 40 N C -1.751 173.860 175.510 0.168 0.000 1.341 40 N CA -0.675 52.487 53.050 0.186 0.000 0.881 40 N CB 0.927 39.540 38.487 0.211 0.000 1.516 40 N HN 0.851 nan 8.380 nan 0.000 0.503 41 D N -0.404 120.084 120.400 0.148 0.000 2.689 41 D HA -0.213 4.429 4.640 0.005 0.000 0.237 41 D C 0.735 177.109 176.300 0.123 0.000 1.148 41 D CA 1.214 55.253 54.000 0.065 0.000 0.656 41 D CB -1.362 39.592 40.800 0.258 0.000 1.050 41 D HN 0.713 nan 8.370 nan 0.000 0.426 42 H N 0.691 119.743 119.070 -0.031 0.000 2.352 42 H HA -0.141 4.418 4.556 0.005 0.000 0.299 42 H C 0.797 176.246 175.328 0.202 0.000 1.097 42 H CA 2.257 58.335 56.048 0.051 0.000 1.311 42 H CB 0.144 29.864 29.762 -0.069 0.000 1.377 42 H HN 0.450 nan 8.280 nan 0.000 0.504 43 H N -0.847 118.296 119.070 0.122 0.000 2.604 43 H HA -0.159 4.400 4.556 0.005 0.000 0.321 43 H C 1.499 176.752 175.328 -0.125 0.000 1.132 43 H CA 1.219 57.297 56.048 0.050 0.000 1.129 43 H CB -1.701 28.148 29.762 0.145 0.000 1.526 43 H HN 0.827 nan 8.280 nan 0.000 0.415 44 G N -0.071 108.699 108.800 -0.051 0.000 2.168 44 G HA2 -0.360 3.603 3.960 0.005 0.000 0.263 44 G HA3 -0.360 3.603 3.960 0.005 0.000 0.263 44 G C 0.275 174.959 174.900 -0.361 0.000 0.977 44 G CA 0.657 45.703 45.100 -0.091 0.000 0.659 44 G HN 0.717 nan 8.290 nan 0.000 0.533 45 H N 0.316 118.959 119.070 -0.712 0.000 3.001 45 H HA 0.363 4.922 4.556 0.005 0.000 0.248 45 H C 1.721 176.946 175.328 -0.171 0.000 1.663 45 H CA 0.214 55.931 56.048 -0.552 0.000 1.258 45 H CB -0.870 28.477 29.762 -0.692 0.000 1.547 45 H HN 0.591 nan 8.280 nan 0.000 0.557 46 F N -2.220 117.821 119.950 0.153 0.000 2.293 46 F HA -0.038 4.492 4.527 0.004 0.000 0.300 46 F C 0.866 176.862 175.800 0.326 0.000 1.086 46 F CA -0.106 58.080 58.000 0.309 0.000 1.375 46 F CB -0.027 39.095 39.000 0.203 0.000 1.045 46 F HN 0.228 nan 8.300 nan 0.000 0.516 47 W N 4.796 125.735 121.300 -0.602 0.000 2.448 47 W HA 0.343 5.006 4.660 0.005 0.000 0.339 47 W C 0.194 176.642 176.519 -0.117 0.000 1.124 47 W CA -1.455 55.679 57.345 -0.352 0.000 1.262 47 W CB 1.131 30.205 29.460 -0.644 0.000 1.251 47 W HN -0.061 nan 8.180 nan 0.000 0.597 48 R N 2.798 123.013 120.500 -0.475 0.000 2.784 48 R HA 0.035 4.377 4.340 0.005 0.000 0.266 48 R C 0.297 176.458 176.300 -0.233 0.000 1.044 48 R CA -0.220 55.666 56.100 -0.357 0.000 1.151 48 R CB 0.127 30.141 30.300 -0.476 0.000 1.037 48 R HN 0.457 nan 8.270 nan 0.000 0.478 49 N N 0.234 118.666 118.700 -0.447 0.000 2.418 49 N HA -0.094 4.649 4.740 0.005 0.000 0.283 49 N C 0.499 175.845 175.510 -0.273 0.000 1.267 49 N CA -0.075 52.788 53.050 -0.312 0.000 0.975 49 N CB 0.246 38.483 38.487 -0.416 0.000 1.167 49 N HN 0.833 nan 8.380 nan 0.000 0.581 50 E N -1.499 118.492 120.200 -0.347 0.000 2.333 50 E HA -0.216 4.137 4.350 0.005 0.000 0.198 50 E C 0.054 176.366 176.600 -0.479 0.000 1.007 50 E CA 1.241 57.376 56.400 -0.441 0.000 0.845 50 E CB -0.550 28.794 29.700 -0.593 0.000 0.766 50 E HN 0.645 nan 8.360 nan 0.000 0.507 51 Y N 0.121 120.359 120.300 -0.104 0.000 2.524 51 Y HA 0.394 4.947 4.550 0.005 0.000 0.266 51 Y C 1.447 177.265 175.900 -0.137 0.000 1.180 51 Y CA -0.338 57.702 58.100 -0.100 0.000 1.244 51 Y CB 0.843 39.253 38.460 -0.083 0.000 1.125 51 Y HN 0.183 nan 8.280 nan 0.000 0.524 52 G N 0.442 109.185 108.800 -0.096 0.000 2.147 52 G HA2 -0.276 3.686 3.960 0.005 0.000 0.244 52 G HA3 -0.276 3.686 3.960 0.005 0.000 0.244 52 G C -0.026 174.760 174.900 -0.190 0.000 1.005 52 G CA 0.015 45.031 45.100 -0.141 0.000 0.713 52 G HN 0.425 nan 8.290 nan 0.000 0.515 53 E N -0.443 119.575 120.200 -0.304 0.000 2.283 53 E HA 0.542 4.895 4.350 0.005 0.000 0.271 53 E C 1.052 177.287 176.600 -0.607 0.000 1.031 53 E CA -0.503 55.675 56.400 -0.371 0.000 0.868 53 E CB 0.809 30.294 29.700 -0.357 0.000 1.094 53 E HN 0.991 nan 8.360 nan 0.000 0.401 54 Y N 0.211 120.495 120.300 -0.027 0.000 2.764 54 Y HA -0.335 4.218 4.550 0.004 0.000 0.437 54 Y C 0.413 176.286 175.900 -0.046 0.000 1.145 54 Y CA 0.389 58.475 58.100 -0.024 0.000 2.338 54 Y CB -1.909 36.553 38.460 0.003 0.000 1.174 54 Y HN 1.037 nan 8.280 nan 0.000 0.660 55 G N -1.411 107.627 108.800 0.396 0.000 2.663 55 G HA2 0.036 3.999 3.960 0.005 0.000 0.686 55 G HA3 0.036 3.999 3.960 0.005 0.000 0.686 55 G C -0.263 174.731 174.900 0.156 0.000 1.246 55 G CA -0.397 44.815 45.100 0.186 0.000 0.795 55 G HN 1.282 nan 8.290 nan 0.000 0.627 56 L N 0.891 122.221 121.223 0.179 0.000 2.418 56 L HA 0.151 4.494 4.340 0.005 0.000 0.218 56 L C 3.088 180.003 176.870 0.075 0.000 1.125 56 L CA 1.485 56.416 54.840 0.151 0.000 0.835 56 L CB -0.525 41.642 42.059 0.180 0.000 0.953 56 L HN 0.874 nan 8.230 nan 0.000 0.454 57 A N 0.385 123.215 122.820 0.016 0.000 1.898 57 A HA -0.104 4.219 4.320 0.005 0.000 0.216 57 A C 2.526 180.093 177.584 -0.028 0.000 1.181 57 A CA 1.614 53.636 52.037 -0.025 0.000 0.620 57 A CB -0.467 18.467 19.000 -0.111 0.000 0.819 57 A HN 0.357 nan 8.150 nan 0.000 0.442 58 A N -0.996 121.801 122.820 -0.038 0.000 1.929 58 A HA -0.143 4.180 4.320 0.005 0.000 0.216 58 A C 2.160 179.745 177.584 0.001 0.000 1.176 58 A CA 1.586 53.607 52.037 -0.026 0.000 0.628 58 A CB -0.536 18.445 19.000 -0.033 0.000 0.816 58 A HN 0.629 nan 8.150 nan 0.000 0.444 59 Q N -0.249 119.568 119.800 0.029 0.000 2.096 59 Q HA -0.280 4.063 4.340 0.005 0.000 0.204 59 Q C 2.069 178.073 176.000 0.007 0.000 0.982 59 Q CA 2.147 57.970 55.803 0.033 0.000 0.850 59 Q CB -0.111 28.673 28.738 0.077 0.000 0.901 59 Q HN 0.518 nan 8.270 nan 0.000 0.422 60 K N -0.218 120.191 120.400 0.014 0.000 2.026 60 K HA -0.110 4.213 4.320 0.005 0.000 0.208 60 K C 1.849 178.443 176.600 -0.011 0.000 1.048 60 K CA 2.279 58.568 56.287 0.003 0.000 0.929 60 K CB -0.682 31.830 32.500 0.020 0.000 0.713 60 K HN 0.160 nan 8.250 nan 0.000 0.439 61 T N 1.439 115.987 114.554 -0.010 0.000 2.746 61 T HA -0.134 4.219 4.350 0.005 0.000 0.267 61 T C 1.599 176.287 174.700 -0.020 0.000 1.039 61 T CA 1.410 63.501 62.100 -0.015 0.000 1.142 61 T CB -0.341 68.517 68.868 -0.017 0.000 0.866 61 T HN 0.212 nan 8.240 nan 0.000 0.444 62 L N 1.295 122.505 121.223 -0.021 0.000 1.994 62 L HA -0.014 4.329 4.340 0.005 0.000 0.208 62 L C 2.452 179.297 176.870 -0.042 0.000 1.071 62 L CA 1.568 56.392 54.840 -0.028 0.000 0.745 62 L CB -0.824 41.221 42.059 -0.023 0.000 0.892 62 L HN 0.070 nan 8.230 nan 0.000 0.431 63 V N 0.026 119.908 119.914 -0.054 0.000 2.343 63 V HA -0.283 3.840 4.120 0.005 0.000 0.247 63 V C 2.312 178.369 176.094 -0.063 0.000 1.051 63 V CA 1.900 64.152 62.300 -0.080 0.000 1.036 63 V CB -0.856 30.894 31.823 -0.122 0.000 0.654 63 V HN 0.455 nan 8.190 nan 0.000 0.451 64 D N 0.729 121.102 120.400 -0.044 0.000 2.123 64 D HA -0.137 4.506 4.640 0.005 0.000 0.196 64 D C 2.208 178.491 176.300 -0.028 0.000 0.992 64 D CA 1.725 55.707 54.000 -0.031 0.000 0.833 64 D CB -0.645 40.144 40.800 -0.018 0.000 0.954 64 D HN 0.470 nan 8.370 nan 0.000 0.455 65 G N 0.435 109.218 108.800 -0.028 0.000 2.408 65 G HA2 -0.189 3.774 3.960 0.005 0.000 0.217 65 G HA3 -0.189 3.774 3.960 0.005 0.000 0.217 65 G C 1.807 176.689 174.900 -0.030 0.000 1.150 65 G CA 0.305 45.390 45.100 -0.025 0.000 0.776 65 G HN 0.274 nan 8.290 nan 0.000 0.542 66 I N 0.069 120.615 120.570 -0.039 0.000 2.252 66 I HA -0.114 4.059 4.170 0.005 0.000 0.245 66 I C 3.005 179.099 176.117 -0.038 0.000 1.102 66 I CA 0.756 62.031 61.300 -0.043 0.000 1.385 66 I CB -0.169 37.797 38.000 -0.058 0.000 1.064 66 I HN 0.065 nan 8.210 nan 0.000 0.414 67 R N 0.749 121.225 120.500 -0.041 0.000 2.091 67 R HA -0.227 4.116 4.340 0.005 0.000 0.238 67 R C 2.321 178.609 176.300 -0.020 0.000 1.136 67 R CA 1.502 57.582 56.100 -0.032 0.000 0.959 67 R CB -0.350 29.930 30.300 -0.034 0.000 0.856 67 R HN 0.313 nan 8.270 nan 0.000 0.437 68 K N 1.132 121.521 120.400 -0.018 0.000 2.026 68 K HA -0.212 4.111 4.320 0.005 0.000 0.208 68 K C 2.079 178.672 176.600 -0.012 0.000 1.048 68 K CA 1.611 57.890 56.287 -0.012 0.000 0.929 68 K CB 0.001 32.494 32.500 -0.011 0.000 0.713 68 K HN 0.147 nan 8.250 nan 0.000 0.439 69 E N 0.122 120.312 120.200 -0.016 0.000 2.058 69 E HA -0.178 4.175 4.350 0.005 0.000 0.194 69 E C 1.852 178.444 176.600 -0.012 0.000 0.997 69 E CA 1.547 57.937 56.400 -0.016 0.000 0.801 69 E CB 0.095 29.781 29.700 -0.022 0.000 0.746 69 E HN 0.165 nan 8.360 nan 0.000 0.450 70 V N 1.199 121.106 119.914 -0.013 0.000 2.427 70 V HA -0.226 3.897 4.120 0.005 0.000 0.248 70 V C 2.457 178.552 176.094 0.002 0.000 1.051 70 V CA 1.651 63.948 62.300 -0.005 0.000 1.048 70 V CB -0.669 31.150 31.823 -0.007 0.000 0.666 70 V HN 0.422 nan 8.190 nan 0.000 0.456 71 A N 0.110 122.930 122.820 -0.000 0.000 1.933 71 A HA -0.092 4.231 4.320 0.005 0.000 0.218 71 A C 2.393 179.980 177.584 0.005 0.000 1.175 71 A CA 1.918 53.958 52.037 0.005 0.000 0.628 71 A CB -0.677 18.325 19.000 0.004 0.000 0.814 71 A HN 0.565 nan 8.150 nan 0.000 0.444 72 A N -0.118 122.702 122.820 0.001 0.000 2.015 72 A HA -0.102 4.221 4.320 0.005 0.000 0.219 72 A C 1.724 179.309 177.584 0.000 0.000 1.163 72 A CA 1.447 53.484 52.037 -0.000 0.000 0.646 72 A CB -0.384 18.614 19.000 -0.003 0.000 0.806 72 A HN 0.656 nan 8.150 nan 0.000 0.448 73 E N -1.445 118.755 120.200 0.001 0.000 2.479 73 E HA 0.291 4.644 4.350 0.005 0.000 0.193 73 E C 1.036 177.640 176.600 0.006 0.000 1.049 73 E CA 0.231 56.632 56.400 0.001 0.000 0.870 73 E CB -0.007 29.693 29.700 0.000 0.000 0.944 73 E HN 0.682 nan 8.360 nan 0.000 0.492 74 G N 1.267 110.073 108.800 0.010 0.000 2.136 74 G HA2 -0.253 3.710 3.960 0.005 0.000 0.242 74 G HA3 -0.253 3.710 3.960 0.005 0.000 0.242 74 G C 0.454 175.371 174.900 0.029 0.000 0.989 74 G CA -0.100 45.008 45.100 0.015 0.000 0.682 74 G HN 0.490 nan 8.290 nan 0.000 0.522 75 G N -0.926 107.893 108.800 0.033 0.000 2.532 75 G HA2 0.724 4.687 3.960 0.005 0.000 0.291 75 G HA3 0.724 4.687 3.960 0.005 0.000 0.291 75 G C -0.060 174.870 174.900 0.050 0.000 1.349 75 G CA 0.432 45.563 45.100 0.052 0.000 1.038 75 G HN 0.894 nan 8.290 nan 0.000 0.518 76 S N -2.042 113.690 115.700 0.053 0.000 2.599 76 S HA 0.675 5.147 4.470 0.005 0.000 0.294 76 S C -0.864 173.740 174.600 0.008 0.000 1.094 76 S CA -0.471 57.748 58.200 0.032 0.000 0.931 76 S CB 2.092 65.314 63.200 0.037 0.000 1.093 76 S HN 0.472 nan 8.310 nan 0.000 0.488 77 V N 2.292 122.194 119.914 -0.020 0.000 2.735 77 V HA 0.628 4.751 4.120 0.005 0.000 0.310 77 V C -1.188 174.847 176.094 -0.099 0.000 1.061 77 V CA -0.659 61.612 62.300 -0.048 0.000 0.913 77 V CB 1.737 33.526 31.823 -0.058 0.000 1.005 77 V HN 0.696 nan 8.190 nan 0.000 0.428 78 L N 4.948 126.097 121.223 -0.124 0.000 2.385 78 L HA 0.729 5.072 4.340 0.005 0.000 0.273 78 L C -1.198 175.557 176.870 -0.191 0.000 0.990 78 L CA -0.420 54.287 54.840 -0.222 0.000 0.821 78 L CB 1.733 43.641 42.059 -0.252 0.000 1.279 78 L HN 0.631 nan 8.230 nan 0.000 0.412 79 L N 5.987 127.060 121.223 -0.250 0.000 2.325 79 L HA 0.698 5.041 4.340 0.005 0.000 0.281 79 L C -1.638 175.115 176.870 -0.196 0.000 1.004 79 L CA -0.096 54.578 54.840 -0.277 0.000 0.823 79 L CB 1.178 42.948 42.059 -0.482 0.000 1.236 79 L HN 0.556 nan 8.230 nan 0.000 0.415 80 L N 3.417 124.621 121.223 -0.032 0.000 2.341 80 L HA 0.679 5.022 4.340 0.005 0.000 0.267 80 L C -0.203 176.818 176.870 0.253 0.000 1.009 80 L CA -0.695 54.209 54.840 0.106 0.000 0.819 80 L CB 2.156 44.266 42.059 0.085 0.000 1.323 80 L HN 0.652 nan 8.230 nan 0.000 0.425 81 S N -0.158 115.688 115.700 0.244 0.000 2.482 81 S HA 0.528 5.001 4.470 0.005 0.000 0.303 81 S C 0.670 175.378 174.600 0.179 0.000 1.091 81 S CA -0.252 58.066 58.200 0.197 0.000 1.057 81 S CB 1.696 64.879 63.200 -0.030 0.000 1.031 81 S HN 0.797 nan 8.310 nan 0.000 0.485 82 G N 2.043 110.965 108.800 0.203 0.000 3.026 82 G HA2 0.479 4.442 3.960 0.005 0.000 0.208 82 G HA3 0.479 4.442 3.960 0.005 0.000 0.208 82 G C 0.918 176.012 174.900 0.323 0.000 1.169 82 G CA 0.207 45.449 45.100 0.237 0.000 0.788 82 G HN 1.568 nan 8.290 nan 0.000 0.533 83 G N -0.033 108.883 108.800 0.194 0.000 2.728 83 G HA2 0.088 4.051 3.960 0.005 0.000 0.294 83 G HA3 0.088 4.051 3.960 0.005 0.000 0.294 83 G C -0.257 174.655 174.900 0.020 0.000 1.342 83 G CA -0.113 45.048 45.100 0.102 0.000 0.866 83 G HN 0.716 nan 8.290 nan 0.000 0.534 84 D N -1.294 119.025 120.400 -0.134 0.000 2.778 84 D HA -0.127 4.515 4.640 0.005 0.000 0.246 84 D C 1.461 177.608 176.300 -0.254 0.000 1.107 84 D CA 0.978 54.864 54.000 -0.190 0.000 0.732 84 D CB -0.782 39.908 40.800 -0.183 0.000 1.055 84 D HN 0.594 nan 8.370 nan 0.000 0.429 85 I N -0.647 119.874 120.570 -0.081 0.000 2.584 85 I HA -0.038 4.135 4.170 0.005 0.000 0.255 85 I C 1.381 177.533 176.117 0.057 0.000 1.145 85 I CA 0.713 61.967 61.300 -0.078 0.000 1.462 85 I CB -0.450 37.315 38.000 -0.392 0.000 1.102 85 I HN 0.200 nan 8.210 nan 0.000 0.433 86 N N 1.960 120.749 118.700 0.150 0.000 2.525 86 N HA 0.103 4.846 4.740 0.005 0.000 0.271 86 N C -0.335 175.361 175.510 0.312 0.000 1.194 86 N CA 0.621 53.822 53.050 0.252 0.000 0.964 86 N CB 0.737 39.404 38.487 0.299 0.000 1.126 86 N HN 0.127 nan 8.380 nan 0.000 0.452 87 T N -0.052 114.669 114.554 0.280 0.000 0.609 87 T HA -0.000 4.352 4.350 0.005 0.000 0.766 87 T C 0.742 175.533 174.700 0.151 0.000 0.991 87 T CA 0.698 62.951 62.100 0.255 0.000 4.041 87 T CB -1.189 67.886 68.868 0.344 0.000 2.283 87 T HN 0.984 nan 8.240 nan 0.000 0.395 88 G N 0.719 109.558 108.800 0.063 0.000 3.578 88 G HA2 0.314 4.277 3.960 0.005 0.000 0.220 88 G HA3 0.314 4.277 3.960 0.005 0.000 0.220 88 G C -0.348 174.423 174.900 -0.215 0.000 0.933 88 G CA 0.147 45.210 45.100 -0.061 0.000 0.847 88 G HN 1.362 nan 8.290 nan 0.000 0.612 89 V N 1.198 120.987 119.914 -0.207 0.000 2.612 89 V HA 0.382 4.505 4.120 0.005 0.000 0.301 89 V C -1.542 174.478 176.094 -0.122 0.000 1.059 89 V CA -1.097 61.024 62.300 -0.299 0.000 0.886 89 V CB 2.473 33.975 31.823 -0.535 0.000 1.007 89 V HN -0.013 nan 8.190 nan 0.000 0.426 90 P HA -0.183 nan 4.420 nan 0.000 0.215 90 P C 1.231 178.519 177.300 -0.020 0.000 1.163 90 P CA 1.432 64.470 63.100 -0.104 0.000 0.894 90 P CB 0.410 31.828 31.700 -0.470 0.000 0.791 91 E N -0.979 119.194 120.200 -0.046 0.000 2.204 91 E HA -0.138 4.215 4.350 0.005 0.000 0.195 91 E C 2.146 178.888 176.600 0.237 0.000 0.990 91 E CA 1.349 57.800 56.400 0.086 0.000 0.821 91 E CB -0.897 28.857 29.700 0.090 0.000 0.750 91 E HN 0.189 nan 8.360 nan 0.000 0.477 92 S N 0.106 115.968 115.700 0.269 0.000 2.356 92 S HA -0.120 4.353 4.470 0.005 0.000 0.219 92 S C 1.347 176.042 174.600 0.159 0.000 1.036 92 S CA 0.952 59.309 58.200 0.262 0.000 0.965 92 S CB -0.198 63.165 63.200 0.272 0.000 0.864 92 S HN 0.111 nan 8.310 nan 0.000 0.471 93 D N 1.837 122.326 120.400 0.148 0.000 2.133 93 D HA -0.096 4.547 4.640 0.005 0.000 0.195 93 D C 1.851 178.250 176.300 0.165 0.000 0.997 93 D CA 1.061 55.161 54.000 0.168 0.000 0.840 93 D CB -0.575 40.336 40.800 0.185 0.000 0.947 93 D HN 0.399 nan 8.370 nan 0.000 0.452 94 L N -0.134 121.186 121.223 0.160 0.000 2.362 94 L HA -0.110 4.233 4.340 0.005 0.000 0.219 94 L C 1.448 178.396 176.870 0.131 0.000 1.134 94 L CA 0.963 55.892 54.840 0.149 0.000 0.807 94 L CB -0.178 41.968 42.059 0.146 0.000 0.927 94 L HN -0.025 nan 8.230 nan 0.000 0.447 95 Q N -1.084 118.795 119.800 0.131 0.000 2.135 95 Q HA 0.071 4.414 4.340 0.005 0.000 0.231 95 Q C -0.626 175.470 176.000 0.160 0.000 0.817 95 Q CA -0.278 55.603 55.803 0.131 0.000 1.073 95 Q CB 0.825 29.631 28.738 0.113 0.000 1.176 95 Q HN 0.168 nan 8.270 nan 0.000 0.478 96 D N 0.624 121.136 120.400 0.186 0.000 2.751 96 D HA -0.262 4.381 4.640 0.005 0.000 0.233 96 D C 0.390 176.880 176.300 0.317 0.000 1.149 96 D CA 1.131 55.278 54.000 0.246 0.000 0.682 96 D CB -1.152 39.816 40.800 0.279 0.000 1.068 96 D HN 0.583 nan 8.370 nan 0.000 0.429 97 A N -0.767 122.176 122.820 0.206 0.000 2.847 97 A HA -0.389 3.934 4.320 0.005 0.000 0.263 97 A C 1.550 179.182 177.584 0.080 0.000 1.391 97 A CA 2.370 54.520 52.037 0.188 0.000 0.866 97 A CB -2.016 17.197 19.000 0.354 0.000 1.057 97 A HN 0.598 nan 8.150 nan 0.000 0.673 98 E N 0.191 120.244 120.200 -0.245 0.000 2.058 98 E HA -0.188 4.164 4.350 0.005 0.000 0.194 98 E C -0.215 175.786 176.600 -0.997 0.000 0.997 98 E CA 1.433 57.266 56.400 -0.945 0.000 0.801 98 E CB -0.433 28.509 29.700 -1.263 0.000 0.746 98 E HN 0.642 nan 8.360 nan 0.000 0.450 99 P HA -0.154 nan 4.420 nan 0.000 0.216 99 P C 0.306 177.185 177.300 -0.702 0.000 1.150 99 P CA 1.777 63.999 63.100 -1.463 0.000 0.837 99 P CB -0.088 30.446 31.700 -1.944 0.000 0.786 100 D N -0.592 119.560 120.400 -0.414 0.000 2.097 100 D HA -0.129 4.514 4.640 0.005 0.000 0.197 100 D C 1.797 177.903 176.300 -0.324 0.000 0.984 100 D CA 1.077 54.947 54.000 -0.217 0.000 0.826 100 D CB -0.860 39.885 40.800 -0.093 0.000 0.973 100 D HN 0.120 nan 8.370 nan 0.000 0.460 101 F N 0.898 120.764 119.950 -0.139 0.000 2.146 101 F HA 0.025 4.554 4.527 0.004 0.000 0.298 101 F C 2.383 178.167 175.800 -0.027 0.000 1.096 101 F CA 0.916 58.910 58.000 -0.011 0.000 1.275 101 F CB -0.130 38.914 39.000 0.073 0.000 1.008 101 F HN -0.189 nan 8.300 nan 0.000 0.480 102 R N -0.196 120.273 120.500 -0.051 0.000 2.092 102 R HA -0.083 4.260 4.340 0.005 0.000 0.231 102 R C 2.557 178.853 176.300 -0.006 0.000 1.119 102 R CA 1.151 57.212 56.100 -0.065 0.000 0.970 102 R CB -1.156 29.000 30.300 -0.241 0.000 0.864 102 R HN 0.391 nan 8.270 nan 0.000 0.440 103 G N 0.908 109.667 108.800 -0.069 0.000 2.418 103 G HA2 -0.254 3.709 3.960 0.005 0.000 0.217 103 G HA3 -0.254 3.709 3.960 0.005 0.000 0.217 103 G C 1.443 176.377 174.900 0.057 0.000 1.158 103 G CA 0.505 45.609 45.100 0.006 0.000 0.771 103 G HN 0.157 nan 8.290 nan 0.000 0.545 104 M N 0.670 120.284 119.600 0.022 0.000 2.213 104 M HA -0.061 4.422 4.480 0.005 0.000 0.263 104 M C 2.341 178.818 176.300 0.296 0.000 1.062 104 M CA 0.920 56.271 55.300 0.085 0.000 1.105 104 M CB -0.294 32.172 32.600 -0.224 0.000 1.385 104 M HN 0.121 nan 8.290 nan 0.000 0.417 105 N N 0.706 119.618 118.700 0.353 0.000 2.104 105 N HA -0.149 4.593 4.740 0.005 0.000 0.190 105 N C 1.578 177.212 175.510 0.206 0.000 1.024 105 N CA 1.207 54.464 53.050 0.345 0.000 0.853 105 N CB -0.441 38.202 38.487 0.260 0.000 1.008 105 N HN 0.238 nan 8.380 nan 0.000 0.424 106 L N 0.687 121.998 121.223 0.147 0.000 2.156 106 L HA 0.026 4.369 4.340 0.005 0.000 0.208 106 L C 1.857 178.774 176.870 0.078 0.000 1.095 106 L CA 0.986 55.886 54.840 0.101 0.000 0.770 106 L CB -0.304 41.805 42.059 0.083 0.000 0.914 106 L HN -0.116 nan 8.230 nan 0.000 0.439 107 V N 0.419 120.388 119.914 0.091 0.000 2.626 107 V HA 0.087 4.210 4.120 0.005 0.000 0.252 107 V C 1.577 177.646 176.094 -0.042 0.000 1.067 107 V CA 1.101 63.417 62.300 0.027 0.000 1.081 107 V CB -1.295 30.565 31.823 0.061 0.000 0.686 107 V HN 0.719 nan 8.190 nan 0.000 0.468 108 G N -1.083 107.735 108.800 0.029 0.000 2.356 108 G HA2 -0.248 3.715 3.960 0.005 0.000 0.233 108 G HA3 -0.248 3.715 3.960 0.005 0.000 0.233 108 G C -0.294 174.538 174.900 -0.113 0.000 1.105 108 G CA -0.449 44.652 45.100 0.001 0.000 0.861 108 G HN 0.370 nan 8.290 nan 0.000 0.493 109 Y N 0.473 120.626 120.300 -0.244 0.000 2.597 109 Y HA 0.209 4.762 4.550 0.005 0.000 0.336 109 Y C 1.652 177.400 175.900 -0.253 0.000 1.216 109 Y CA 0.637 58.475 58.100 -0.438 0.000 1.463 109 Y CB 0.645 38.475 38.460 -1.051 0.000 1.303 109 Y HN 0.237 nan 8.280 nan 0.000 0.576 110 D N 1.158 121.511 120.400 -0.078 0.000 2.301 110 D HA 0.276 4.919 4.640 0.005 0.000 0.206 110 D C 0.105 176.593 176.300 0.315 0.000 0.979 110 D CA 0.837 54.867 54.000 0.049 0.000 0.874 110 D CB 0.488 41.061 40.800 -0.379 0.000 0.968 110 D HN 0.499 nan 8.370 nan 0.000 0.510 111 A N 0.131 123.087 122.820 0.227 0.000 2.583 111 A HA 0.601 4.924 4.320 0.005 0.000 0.292 111 A C -1.632 176.129 177.584 0.296 0.000 1.045 111 A CA -0.654 51.627 52.037 0.408 0.000 0.672 111 A CB 1.685 20.957 19.000 0.453 0.000 1.283 111 A HN 0.029 nan 8.150 nan 0.000 0.419 112 M N 1.288 121.108 119.600 0.367 0.000 2.484 112 M HA 0.727 5.210 4.480 0.005 0.000 0.289 112 M C -0.740 175.694 176.300 0.223 0.000 1.206 112 M CA -0.578 54.880 55.300 0.264 0.000 0.892 112 M CB 1.966 34.758 32.600 0.319 0.000 1.712 112 M HN 1.628 nan 8.290 nan 0.000 0.462 113 A N 4.224 127.154 122.820 0.184 0.000 2.354 113 A HA 0.603 4.925 4.320 0.005 0.000 0.269 113 A C -0.411 177.241 177.584 0.114 0.000 1.109 113 A CA -0.593 51.540 52.037 0.160 0.000 0.800 113 A CB 0.179 19.293 19.000 0.191 0.000 1.045 113 A HN 0.876 nan 8.150 nan 0.000 0.489 114 I N 2.256 122.856 120.570 0.051 0.000 2.471 114 I HA 0.273 4.446 4.170 0.005 0.000 0.286 114 I C 1.210 177.342 176.117 0.025 0.000 1.079 114 I CA 0.303 61.594 61.300 -0.016 0.000 1.398 114 I CB 0.859 38.756 38.000 -0.173 0.000 1.403 114 I HN 0.725 nan 8.210 nan 0.000 0.530 115 G N 4.129 112.860 108.800 -0.115 0.000 2.488 115 G HA2 0.107 4.070 3.960 0.005 0.000 0.318 115 G HA3 0.107 4.070 3.960 0.005 0.000 0.318 115 G C 0.882 175.721 174.900 -0.102 0.000 1.188 115 G CA -0.622 44.166 45.100 -0.521 0.000 0.944 115 G HN 0.730 nan 8.290 nan 0.000 0.495 116 N N -0.528 118.103 118.700 -0.115 0.000 2.223 116 N HA -0.178 4.565 4.740 0.005 0.000 0.185 116 N C 1.172 176.776 175.510 0.157 0.000 1.016 116 N CA 1.276 54.376 53.050 0.082 0.000 0.863 116 N CB -0.433 38.022 38.487 -0.054 0.000 0.983 116 N HN 0.621 nan 8.380 nan 0.000 0.429 117 H N 0.056 119.240 119.070 0.190 0.000 2.559 117 H HA 0.086 4.645 4.556 0.005 0.000 0.273 117 H C 0.761 176.217 175.328 0.214 0.000 1.000 117 H CA 0.546 56.746 56.048 0.254 0.000 1.195 117 H CB 0.349 30.286 29.762 0.292 0.000 1.368 117 H HN 0.315 nan 8.280 nan 0.000 0.592 118 E N -0.053 120.268 120.200 0.201 0.000 2.478 118 E HA -0.055 4.298 4.350 0.005 0.000 0.198 118 E C 0.513 176.983 176.600 -0.216 0.000 1.046 118 E CA 0.359 56.757 56.400 -0.004 0.000 0.870 118 E CB -0.127 29.488 29.700 -0.141 0.000 0.818 118 E HN 0.335 nan 8.360 nan 0.000 0.527 119 F N -0.267 119.798 119.950 0.191 0.000 2.641 119 F HA 0.152 4.682 4.527 0.005 0.000 0.302 119 F C 1.060 176.969 175.800 0.182 0.000 1.098 119 F CA -0.181 57.924 58.000 0.176 0.000 1.318 119 F CB 0.560 39.757 39.000 0.328 0.000 1.035 119 F HN -0.105 nan 8.300 nan 0.000 0.551 120 D N -0.338 120.261 120.400 0.333 0.000 2.269 120 D HA -0.040 4.603 4.640 0.005 0.000 0.208 120 D C 0.532 177.015 176.300 0.306 0.000 0.963 120 D CA 0.873 55.112 54.000 0.399 0.000 0.864 120 D CB 0.045 41.150 40.800 0.507 0.000 0.936 120 D HN 0.183 nan 8.370 nan 0.000 0.505 121 N N 0.437 119.192 118.700 0.092 0.000 2.459 121 N HA 0.330 5.073 4.740 0.005 0.000 0.288 121 N C -2.581 172.557 175.510 -0.619 0.000 1.186 121 N CA -1.434 51.532 53.050 -0.139 0.000 0.917 121 N CB 1.139 39.576 38.487 -0.083 0.000 1.219 121 N HN -0.189 nan 8.380 nan 0.000 0.525 122 P HA 0.016 nan 4.420 nan 0.000 0.269 122 P C 1.159 178.149 177.300 -0.516 0.000 1.217 122 P CA -0.372 62.025 63.100 -1.173 0.000 0.783 122 P CB 0.676 31.952 31.700 -0.706 0.000 0.898 123 L N 2.487 123.516 121.223 -0.323 0.000 2.187 123 L HA -0.176 4.167 4.340 0.005 0.000 0.213 123 L C 2.083 178.836 176.870 -0.195 0.000 1.100 123 L CA 2.555 57.290 54.840 -0.175 0.000 0.765 123 L CB -1.625 40.407 42.059 -0.046 0.000 0.904 123 L HN 0.500 nan 8.230 nan 0.000 0.437 124 T N -4.752 109.679 114.554 -0.205 0.000 2.759 124 T HA -0.174 4.179 4.350 0.005 0.000 0.269 124 T C 1.821 176.374 174.700 -0.245 0.000 1.042 124 T CA 1.592 63.575 62.100 -0.195 0.000 1.140 124 T CB -1.035 67.736 68.868 -0.161 0.000 0.864 124 T HN 0.154 nan 8.240 nan 0.000 0.455 125 V N 1.242 121.001 119.914 -0.258 0.000 2.453 125 V HA 0.022 4.145 4.120 0.005 0.000 0.247 125 V C 2.538 178.436 176.094 -0.327 0.000 1.048 125 V CA 1.301 63.438 62.300 -0.273 0.000 1.049 125 V CB -0.709 30.999 31.823 -0.192 0.000 0.672 125 V HN 0.394 nan 8.190 nan 0.000 0.457 126 L N 0.083 121.129 121.223 -0.296 0.000 2.093 126 L HA -0.052 4.291 4.340 0.005 0.000 0.208 126 L C 2.513 179.200 176.870 -0.304 0.000 1.085 126 L CA 1.820 56.475 54.840 -0.308 0.000 0.755 126 L CB -0.702 41.170 42.059 -0.313 0.000 0.904 126 L HN 0.112 nan 8.230 nan 0.000 0.435 127 R N -0.428 119.915 120.500 -0.262 0.000 2.115 127 R HA -0.145 4.198 4.340 0.005 0.000 0.230 127 R C 2.168 178.237 176.300 -0.384 0.000 1.111 127 R CA 1.416 57.365 56.100 -0.252 0.000 0.976 127 R CB -0.701 29.478 30.300 -0.202 0.000 0.870 127 R HN 0.628 nan 8.270 nan 0.000 0.445 128 Q N 0.771 120.265 119.800 -0.510 0.000 2.119 128 Q HA -0.150 4.193 4.340 0.005 0.000 0.201 128 Q C 1.824 177.156 176.000 -1.114 0.000 0.972 128 Q CA 1.368 56.683 55.803 -0.813 0.000 0.847 128 Q CB 0.141 28.345 28.738 -0.891 0.000 0.903 128 Q HN 0.395 nan 8.270 nan 0.000 0.433 129 Q N 0.080 119.342 119.800 -0.897 0.000 2.119 129 Q HA -0.206 4.137 4.340 0.005 0.000 0.201 129 Q C 1.839 177.403 176.000 -0.727 0.000 0.972 129 Q CA 1.457 56.731 55.803 -0.881 0.000 0.847 129 Q CB -0.002 28.112 28.738 -1.040 0.000 0.903 129 Q HN 0.446 nan 8.270 nan 0.000 0.433 130 E N 1.109 120.991 120.200 -0.530 0.000 2.110 130 E HA -0.188 4.165 4.350 0.005 0.000 0.193 130 E C 1.602 178.019 176.600 -0.306 0.000 0.988 130 E CA 0.958 57.143 56.400 -0.357 0.000 0.804 130 E CB 0.220 29.790 29.700 -0.216 0.000 0.745 130 E HN 0.190 nan 8.360 nan 0.000 0.458 131 K N -0.329 119.862 120.400 -0.347 0.000 2.097 131 K HA -0.137 4.186 4.320 0.005 0.000 0.205 131 K C 1.924 178.448 176.600 -0.127 0.000 1.050 131 K CA 1.202 57.337 56.287 -0.253 0.000 0.938 131 K CB -0.123 32.185 32.500 -0.320 0.000 0.718 131 K HN 0.287 nan 8.250 nan 0.000 0.442 132 W N 1.139 122.311 121.300 -0.214 0.000 2.381 132 W HA 0.089 4.752 4.660 0.005 0.000 0.301 132 W C 0.986 177.404 176.519 -0.169 0.000 1.205 132 W CA -0.054 57.196 57.345 -0.158 0.000 1.285 132 W CB -0.783 28.583 29.460 -0.157 0.000 1.133 132 W HN -0.084 nan 8.180 nan 0.000 0.521 133 A N 1.353 124.120 122.820 -0.088 0.000 2.492 133 A HA 0.099 4.421 4.320 0.005 0.000 0.254 133 A C 1.096 178.477 177.584 -0.338 0.000 1.091 133 A CA 0.018 51.825 52.037 -0.384 0.000 0.768 133 A CB 0.132 18.606 19.000 -0.876 0.000 1.028 133 A HN 0.281 nan 8.150 nan 0.000 0.498 134 K N 1.428 121.739 120.400 -0.147 0.000 2.487 134 K HA 0.128 4.450 4.320 0.005 0.000 0.192 134 K C -0.592 176.090 176.600 0.136 0.000 1.027 134 K CA 0.338 56.652 56.287 0.045 0.000 1.054 134 K CB -0.134 32.469 32.500 0.172 0.000 0.824 134 K HN 0.759 nan 8.250 nan 0.000 0.510 135 F N 0.104 120.154 119.950 0.167 0.000 2.538 135 F HA 0.546 5.076 4.527 0.004 0.000 0.325 135 F C -2.699 173.201 175.800 0.167 0.000 1.066 135 F CA -3.963 54.153 58.000 0.194 0.000 0.946 135 F CB 0.175 39.317 39.000 0.236 0.000 1.199 135 F HN -0.246 nan 8.300 nan 0.000 0.473 136 P HA 0.198 nan 4.420 nan 0.000 0.271 136 P C -0.996 176.444 177.300 0.234 0.000 1.216 136 P CA -0.110 63.099 63.100 0.181 0.000 0.776 136 P CB 1.358 33.164 31.700 0.176 0.000 0.881 137 L N 3.880 125.169 121.223 0.110 0.000 2.262 137 L HA 0.420 4.762 4.340 0.005 0.000 0.288 137 L C 0.346 177.254 176.870 0.063 0.000 1.035 137 L CA -0.598 54.296 54.840 0.090 0.000 0.820 137 L CB 0.486 42.526 42.059 -0.032 0.000 1.204 137 L HN 0.230 nan 8.230 nan 0.000 0.424 138 L N 2.743 124.022 121.223 0.093 0.000 2.331 138 L HA 0.660 5.003 4.340 0.005 0.000 0.275 138 L C 0.084 176.995 176.870 0.067 0.000 1.022 138 L CA -0.371 54.531 54.840 0.104 0.000 0.812 138 L CB 1.955 44.114 42.059 0.166 0.000 1.257 138 L HN 0.564 nan 8.230 nan 0.000 0.435 139 S N 0.362 116.121 115.700 0.098 0.000 2.590 139 S HA 0.488 4.961 4.470 0.005 0.000 0.286 139 S C 0.084 174.745 174.600 0.102 0.000 1.147 139 S CA 0.031 58.295 58.200 0.107 0.000 0.963 139 S CB 1.553 64.802 63.200 0.080 0.000 1.124 139 S HN 0.719 nan 8.310 nan 0.000 0.458 140 A N 3.552 126.434 122.820 0.104 0.000 2.132 140 A HA 0.136 4.459 4.320 0.005 0.000 0.213 140 A C 1.440 179.059 177.584 0.059 0.000 1.154 140 A CA 0.873 52.950 52.037 0.067 0.000 0.753 140 A CB -0.273 18.816 19.000 0.149 0.000 0.826 140 A HN 0.883 nan 8.150 nan 0.000 0.469 141 N N -0.139 118.631 118.700 0.118 0.000 2.214 141 N HA 0.154 4.897 4.740 0.005 0.000 0.214 141 N C -0.256 175.350 175.510 0.160 0.000 1.132 141 N CA -0.118 53.062 53.050 0.215 0.000 0.856 141 N CB 0.101 38.715 38.487 0.212 0.000 1.020 141 N HN 0.383 nan 8.380 nan 0.000 0.509 142 I N 1.550 122.100 120.570 -0.034 0.000 2.315 142 I HA 0.247 4.420 4.170 0.005 0.000 0.291 142 I C -0.769 175.211 176.117 -0.229 0.000 1.006 142 I CA -0.638 60.533 61.300 -0.214 0.000 1.265 142 I CB 0.398 38.323 38.000 -0.124 0.000 1.387 142 I HN -0.104 nan 8.210 nan 0.000 0.475 143 Y N 3.876 124.058 120.300 -0.196 0.000 2.524 143 Y HA 0.324 4.877 4.550 0.005 0.000 0.344 143 Y C 0.178 176.008 175.900 -0.116 0.000 1.012 143 Y CA -0.718 57.309 58.100 -0.121 0.000 1.068 143 Y CB 1.684 40.093 38.460 -0.084 0.000 1.249 143 Y HN 0.451 nan 8.280 nan 0.000 0.468 144 Q N 2.886 122.720 119.800 0.057 0.000 2.295 144 Q HA 0.173 4.516 4.340 0.005 0.000 0.259 144 Q C 0.330 176.369 176.000 0.065 0.000 0.976 144 Q CA -0.211 55.606 55.803 0.024 0.000 0.923 144 Q CB 0.893 29.618 28.738 -0.022 0.000 1.185 144 Q HN 0.754 nan 8.270 nan 0.000 0.410 145 K N 1.295 121.723 120.400 0.047 0.000 2.026 145 K HA -0.156 4.167 4.320 0.005 0.000 0.208 145 K C 1.930 178.544 176.600 0.023 0.000 1.048 145 K CA 1.808 58.116 56.287 0.035 0.000 0.929 145 K CB 0.028 32.548 32.500 0.033 0.000 0.713 145 K HN 0.732 nan 8.250 nan 0.000 0.439 146 S N 0.067 115.779 115.700 0.021 0.000 2.474 146 S HA -0.092 4.381 4.470 0.005 0.000 0.235 146 S C 1.816 176.422 174.600 0.010 0.000 0.997 146 S CA 1.428 59.635 58.200 0.012 0.000 0.949 146 S CB -0.291 62.915 63.200 0.009 0.000 0.766 146 S HN 0.423 nan 8.310 nan 0.000 0.517 147 T N -4.291 110.274 114.554 0.017 0.000 2.975 147 T HA 0.519 4.872 4.350 0.005 0.000 0.261 147 T C 1.487 176.211 174.700 0.040 0.000 0.984 147 T CA 0.546 62.656 62.100 0.017 0.000 0.911 147 T CB -0.057 68.813 68.868 0.004 0.000 1.127 147 T HN 1.141 nan 8.240 nan 0.000 0.514 148 G N 1.540 110.382 108.800 0.071 0.000 2.179 148 G HA2 -0.231 3.732 3.960 0.005 0.000 0.257 148 G HA3 -0.231 3.732 3.960 0.005 0.000 0.257 148 G C -0.333 174.732 174.900 0.274 0.000 1.010 148 G CA 0.298 45.468 45.100 0.117 0.000 0.736 148 G HN 0.688 nan 8.290 nan 0.000 0.513 149 E N -0.234 120.082 120.200 0.193 0.000 2.191 149 E HA 0.478 4.831 4.350 0.005 0.000 0.274 149 E C 0.657 177.177 176.600 -0.133 0.000 0.948 149 E CA -0.994 55.448 56.400 0.070 0.000 0.802 149 E CB 1.178 30.863 29.700 -0.025 0.000 1.137 149 E HN 0.329 nan 8.360 nan 0.000 0.397 150 R N 1.602 121.856 120.500 -0.411 0.000 2.623 150 R HA -0.021 4.322 4.340 0.005 0.000 0.271 150 R C 0.890 176.943 176.300 -0.412 0.000 1.043 150 R CA -0.232 55.464 56.100 -0.674 0.000 1.083 150 R CB 0.409 30.360 30.300 -0.582 0.000 0.974 150 R HN 0.425 nan 8.270 nan 0.000 0.436 151 L N 2.719 123.690 121.223 -0.420 0.000 2.131 151 L HA 0.139 4.482 4.340 0.005 0.000 0.206 151 L C -0.155 176.203 176.870 -0.852 0.000 1.087 151 L CA 1.644 56.136 54.840 -0.580 0.000 0.767 151 L CB 0.114 41.808 42.059 -0.609 0.000 0.917 151 L HN 0.423 nan 8.230 nan 0.000 0.441 152 F N -1.342 118.513 119.950 -0.158 0.000 2.631 152 F HA 0.454 4.983 4.527 0.005 0.000 0.350 152 F C 0.484 176.179 175.800 -0.176 0.000 1.080 152 F CA -1.286 56.637 58.000 -0.128 0.000 1.026 152 F CB 0.327 39.289 39.000 -0.063 0.000 1.347 152 F HN -0.501 nan 8.300 nan 0.000 0.501 153 K N 2.441 122.862 120.400 0.035 0.000 2.270 153 K HA 0.192 4.515 4.320 0.005 0.000 0.276 153 K C -1.850 174.685 176.600 -0.108 0.000 1.023 153 K CA -1.790 54.416 56.287 -0.135 0.000 0.955 153 K CB 0.800 33.210 32.500 -0.151 0.000 0.975 153 K HN 0.193 nan 8.250 nan 0.000 0.471 154 P HA -0.049 nan 4.420 nan 0.000 0.227 154 P C -0.403 176.987 177.300 0.149 0.000 1.161 154 P CA 0.920 63.975 63.100 -0.074 0.000 0.788 154 P CB 0.203 31.821 31.700 -0.137 0.000 0.822 155 W N -1.284 120.046 121.300 0.050 0.000 3.005 155 W HA 0.725 5.387 4.660 0.004 0.000 0.343 155 W C -2.248 174.285 176.519 0.022 0.000 1.243 155 W CA -1.549 55.828 57.345 0.054 0.000 1.186 155 W CB 0.355 29.839 29.460 0.040 0.000 1.453 155 W HN -0.061 nan 8.180 nan 0.000 0.575 156 A N 1.780 124.844 122.820 0.407 0.000 2.414 156 A HA 0.853 5.176 4.320 0.005 0.000 0.306 156 A C -1.757 175.805 177.584 -0.037 0.000 1.054 156 A CA -1.013 51.093 52.037 0.115 0.000 0.724 156 A CB 1.256 20.255 19.000 -0.003 0.000 1.267 156 A HN 0.773 nan 8.150 nan 0.000 0.418 157 L N 1.216 122.291 121.223 -0.247 0.000 2.325 157 L HA 0.678 5.021 4.340 0.005 0.000 0.278 157 L C -1.311 175.181 176.870 -0.630 0.000 1.023 157 L CA -0.355 54.330 54.840 -0.259 0.000 0.811 157 L CB 1.434 43.448 42.059 -0.074 0.000 1.249 157 L HN 0.678 nan 8.230 nan 0.000 0.431 158 F N 0.955 120.920 119.950 0.026 0.000 2.556 158 F HA 0.446 4.976 4.527 0.004 0.000 0.314 158 F C -0.102 175.687 175.800 -0.018 0.000 1.106 158 F CA -0.859 57.150 58.000 0.015 0.000 0.911 158 F CB 1.868 40.875 39.000 0.011 0.000 1.190 158 F HN 0.228 nan 8.300 nan 0.000 0.448 159 K N 3.629 124.119 120.400 0.152 0.000 2.234 159 K HA 0.589 4.912 4.320 0.005 0.000 0.277 159 K C -0.550 176.101 176.600 0.086 0.000 1.038 159 K CA -0.862 55.471 56.287 0.076 0.000 0.888 159 K CB 1.096 33.627 32.500 0.051 0.000 1.091 159 K HN 0.362 nan 8.250 nan 0.000 0.467 160 R N 3.528 124.050 120.500 0.037 0.000 2.502 160 R HA 0.212 4.555 4.340 0.005 0.000 0.298 160 R C -0.115 176.208 176.300 0.040 0.000 1.018 160 R CA -0.402 55.721 56.100 0.037 0.000 0.899 160 R CB 1.235 31.541 30.300 0.010 0.000 1.181 160 R HN 0.872 nan 8.270 nan 0.000 0.444 161 Q N 0.646 120.499 119.800 0.088 0.000 1.555 161 Q HA -0.258 4.085 4.340 0.005 0.000 0.344 161 Q C -0.056 176.011 176.000 0.111 0.000 0.887 161 Q CA 2.082 57.974 55.803 0.148 0.000 0.829 161 Q CB -0.798 28.123 28.738 0.305 0.000 3.625 161 Q HN 0.776 nan 8.270 nan 0.000 0.622 162 D N 0.746 121.230 120.400 0.140 0.000 2.501 162 D HA 0.293 4.936 4.640 0.005 0.000 0.226 162 D C 0.113 176.396 176.300 -0.029 0.000 1.198 162 D CA 0.065 54.111 54.000 0.076 0.000 0.830 162 D CB -0.121 40.761 40.800 0.136 0.000 1.014 162 D HN 0.211 nan 8.370 nan 0.000 0.496 163 L N 0.219 121.348 121.223 -0.156 0.000 2.379 163 L HA 0.388 4.731 4.340 0.005 0.000 0.269 163 L C 0.445 177.214 176.870 -0.169 0.000 1.084 163 L CA -0.824 53.839 54.840 -0.295 0.000 0.802 163 L CB 1.562 43.269 42.059 -0.586 0.000 1.175 163 L HN -0.146 nan 8.230 nan 0.000 0.448 164 K N 3.166 123.465 120.400 -0.168 0.000 2.339 164 K HA 0.564 4.887 4.320 0.005 0.000 0.264 164 K C -1.297 175.228 176.600 -0.124 0.000 0.986 164 K CA -0.420 55.807 56.287 -0.101 0.000 0.866 164 K CB 0.997 33.449 32.500 -0.081 0.000 1.103 164 K HN 0.501 nan 8.250 nan 0.000 0.441 165 I N 3.601 124.142 120.570 -0.048 0.000 2.406 165 I HA 0.358 4.531 4.170 0.005 0.000 0.290 165 I C -0.255 175.904 176.117 0.070 0.000 0.999 165 I CA -0.898 60.385 61.300 -0.029 0.000 1.124 165 I CB 1.913 39.911 38.000 -0.003 0.000 1.289 165 I HN 0.651 nan 8.210 nan 0.000 0.441 166 A N 6.441 129.257 122.820 -0.007 0.000 2.305 166 A HA 0.765 5.088 4.320 0.005 0.000 0.322 166 A C -0.639 177.005 177.584 0.100 0.000 1.187 166 A CA -0.471 51.564 52.037 -0.002 0.000 0.825 166 A CB 1.231 20.106 19.000 -0.208 0.000 1.164 166 A HN 0.464 nan 8.150 nan 0.000 0.498 167 V N 4.591 124.647 119.914 0.237 0.000 2.378 167 V HA 0.348 4.471 4.120 0.005 0.000 0.288 167 V C 0.068 176.326 176.094 0.274 0.000 1.016 167 V CA -0.298 62.151 62.300 0.249 0.000 0.840 167 V CB 0.969 33.007 31.823 0.358 0.000 0.994 167 V HN 0.817 nan 8.190 nan 0.000 0.431 168 I N 2.064 122.763 120.570 0.214 0.000 2.677 168 I HA 0.964 5.137 4.170 0.005 0.000 0.305 168 I C 0.460 176.706 176.117 0.215 0.000 0.988 168 I CA -0.274 61.182 61.300 0.261 0.000 1.260 168 I CB 1.697 39.826 38.000 0.214 0.000 1.410 168 I HN 0.606 nan 8.210 nan 0.000 0.523 169 G N 5.273 114.198 108.800 0.209 0.000 2.482 169 G HA2 0.719 4.682 3.960 0.005 0.000 0.317 169 G HA3 0.719 4.682 3.960 0.005 0.000 0.317 169 G C -1.220 173.777 174.900 0.161 0.000 1.241 169 G CA -0.784 44.421 45.100 0.175 0.000 0.967 169 G HN 0.631 nan 8.290 nan 0.000 0.482 170 L N 0.611 121.928 121.223 0.157 0.000 2.445 170 L HA 0.604 4.947 4.340 0.005 0.000 0.262 170 L C -0.429 176.548 176.870 0.179 0.000 0.974 170 L CA -0.786 54.148 54.840 0.157 0.000 0.822 170 L CB 2.997 45.139 42.059 0.137 0.000 1.339 170 L HN 0.470 nan 8.230 nan 0.000 0.409 171 T N -0.241 114.432 114.554 0.198 0.000 2.861 171 T HA 0.239 4.592 4.350 0.005 0.000 0.287 171 T C -0.200 174.610 174.700 0.184 0.000 1.003 171 T CA -0.425 61.815 62.100 0.233 0.000 0.977 171 T CB 1.901 70.963 68.868 0.323 0.000 0.996 171 T HN 0.597 nan 8.240 nan 0.000 0.448 172 T N 2.061 116.662 114.554 0.078 0.000 2.933 172 T HA -0.010 4.343 4.350 0.005 0.000 0.306 172 T C 0.992 175.659 174.700 -0.055 0.000 1.045 172 T CA -0.195 61.889 62.100 -0.027 0.000 1.143 172 T CB 0.049 68.797 68.868 -0.201 0.000 1.003 172 T HN 0.671 nan 8.240 nan 0.000 0.540 173 D N 2.784 123.174 120.400 -0.018 0.000 2.324 173 D HA 0.028 4.671 4.640 0.005 0.000 0.235 173 D C 0.740 176.943 176.300 -0.162 0.000 1.095 173 D CA -0.001 53.983 54.000 -0.027 0.000 0.871 173 D CB 0.091 40.928 40.800 0.061 0.000 0.906 173 D HN 0.498 nan 8.370 nan 0.000 0.522 174 D N 0.168 120.457 120.400 -0.185 0.000 2.349 174 D HA -0.030 4.613 4.640 0.005 0.000 0.215 174 D C 1.518 177.622 176.300 -0.327 0.000 1.016 174 D CA 0.416 54.313 54.000 -0.172 0.000 0.870 174 D CB 0.179 40.949 40.800 -0.050 0.000 0.917 174 D HN 0.114 nan 8.370 nan 0.000 0.524 175 T N 0.457 114.660 114.554 -0.584 0.000 2.653 175 T HA -0.214 4.139 4.350 0.005 0.000 0.268 175 T C 1.751 175.973 174.700 -0.796 0.000 1.035 175 T CA 1.780 63.423 62.100 -0.763 0.000 1.154 175 T CB -0.083 67.957 68.868 -1.381 0.000 0.862 175 T HN 0.225 nan 8.240 nan 0.000 0.441 176 A N 0.115 122.238 122.820 -1.161 0.000 2.275 176 A HA 0.154 4.477 4.320 0.005 0.000 0.212 176 A C 1.996 179.303 177.584 -0.461 0.000 1.201 176 A CA 0.248 51.562 52.037 -1.205 0.000 0.843 176 A CB 0.039 18.197 19.000 -1.404 0.000 0.873 176 A HN 0.169 nan 8.150 nan 0.000 0.492 177 K N 0.154 120.374 120.400 -0.301 0.000 2.308 177 K HA 0.208 4.531 4.320 0.005 0.000 0.197 177 K C 0.904 177.493 176.600 -0.019 0.000 1.049 177 K CA 0.283 56.496 56.287 -0.124 0.000 0.991 177 K CB -0.294 32.148 32.500 -0.095 0.000 0.836 177 K HN 0.741 nan 8.250 nan 0.000 0.500 178 I N -1.464 119.115 120.570 0.015 0.000 2.612 178 I HA 0.449 4.622 4.170 0.005 0.000 0.295 178 I C 0.893 177.126 176.117 0.193 0.000 1.011 178 I CA -0.117 61.279 61.300 0.160 0.000 1.326 178 I CB 0.791 38.907 38.000 0.193 0.000 1.427 178 I HN 0.265 nan 8.210 nan 0.000 0.537 179 G N 4.710 113.642 108.800 0.220 0.000 2.574 179 G HA2 -0.348 3.615 3.960 0.005 0.000 0.286 179 G HA3 -0.348 3.615 3.960 0.005 0.000 0.286 179 G C -0.218 174.694 174.900 0.019 0.000 1.212 179 G CA 0.515 45.675 45.100 0.099 0.000 0.979 179 G HN 1.058 nan 8.290 nan 0.000 0.557 180 N N 2.292 121.032 118.700 0.067 0.000 2.621 180 N HA 0.578 5.321 4.740 0.005 0.000 0.237 180 N C -2.554 173.013 175.510 0.096 0.000 0.997 180 N CA -1.506 51.569 53.050 0.042 0.000 0.918 180 N CB 0.976 39.467 38.487 0.007 0.000 1.122 180 N HN 0.315 nan 8.380 nan 0.000 0.510 181 P HA 0.180 nan 4.420 nan 0.000 0.268 181 P C -0.857 176.523 177.300 0.134 0.000 1.205 181 P CA 0.281 63.552 63.100 0.284 0.000 0.771 181 P CB 0.752 32.641 31.700 0.314 0.000 0.858 182 E N 1.042 121.247 120.200 0.009 0.000 2.413 182 E HA 0.334 4.687 4.350 0.005 0.000 0.277 182 E C -1.092 175.201 176.600 -0.512 0.000 0.958 182 E CA -0.765 55.423 56.400 -0.353 0.000 0.779 182 E CB 1.057 30.337 29.700 -0.699 0.000 1.278 182 E HN 0.259 nan 8.360 nan 0.000 0.456 183 Y N -0.844 119.328 120.300 -0.214 0.000 4.032 183 Y HA -0.195 4.358 4.550 0.005 0.000 0.230 183 Y C -0.269 175.378 175.900 -0.423 0.000 1.202 183 Y CA 0.122 58.044 58.100 -0.296 0.000 1.878 183 Y CB -2.479 35.814 38.460 -0.278 0.000 1.586 183 Y HN 0.531 nan 8.280 nan 0.000 0.673 184 F N -1.148 118.969 119.950 0.278 0.000 2.805 184 F HA 0.288 4.818 4.527 0.005 0.000 0.317 184 F C 0.957 176.851 175.800 0.157 0.000 1.146 184 F CA -0.913 57.223 58.000 0.227 0.000 1.265 184 F CB 0.375 39.487 39.000 0.186 0.000 0.992 184 F HN -0.195 nan 8.300 nan 0.000 0.511 185 T N 1.143 115.844 114.554 0.246 0.000 2.831 185 T HA -0.027 4.326 4.350 0.005 0.000 0.291 185 T C 0.608 175.395 174.700 0.145 0.000 0.981 185 T CA 0.543 62.743 62.100 0.167 0.000 1.174 185 T CB 0.099 69.040 68.868 0.122 0.000 0.929 185 T HN 0.357 nan 8.240 nan 0.000 0.532 186 D N 1.226 121.695 120.400 0.115 0.000 2.911 186 D HA -0.172 4.471 4.640 0.005 0.000 0.227 186 D C -0.493 175.856 176.300 0.082 0.000 1.164 186 D CA 0.802 54.850 54.000 0.080 0.000 0.782 186 D CB -1.268 39.563 40.800 0.052 0.000 1.094 186 D HN 0.635 nan 8.370 nan 0.000 0.425 187 I N 0.550 121.194 120.570 0.125 0.000 2.545 187 I HA 0.395 4.568 4.170 0.005 0.000 0.292 187 I C 0.209 176.355 176.117 0.048 0.000 1.040 187 I CA -0.797 60.552 61.300 0.082 0.000 1.068 187 I CB 1.980 40.081 38.000 0.168 0.000 1.251 187 I HN 0.030 nan 8.210 nan 0.000 0.424 188 E N 4.778 124.939 120.200 -0.065 0.000 2.367 188 E HA 0.544 4.897 4.350 0.005 0.000 0.273 188 E C -1.831 174.648 176.600 -0.202 0.000 0.903 188 E CA -0.757 55.629 56.400 -0.024 0.000 0.764 188 E CB 2.273 31.987 29.700 0.022 0.000 1.252 188 E HN 0.247 nan 8.360 nan 0.000 0.446 189 F N 1.358 121.278 119.950 -0.050 0.000 2.375 189 F HA 0.436 4.965 4.527 0.005 0.000 0.361 189 F C 0.636 176.439 175.800 0.006 0.000 1.117 189 F CA -0.712 57.276 58.000 -0.020 0.000 1.037 189 F CB 1.407 40.339 39.000 -0.113 0.000 1.192 189 F HN 0.218 nan 8.300 nan 0.000 0.452 190 R N 1.676 122.267 120.500 0.151 0.000 2.583 190 R HA 0.339 4.682 4.340 0.005 0.000 0.268 190 R C -0.078 176.283 176.300 0.101 0.000 1.101 190 R CA -1.066 55.085 56.100 0.086 0.000 1.180 190 R CB 0.791 31.102 30.300 0.018 0.000 1.128 190 R HN 0.489 nan 8.270 nan 0.000 0.568 191 K N 2.924 123.356 120.400 0.054 0.000 2.430 191 K HA -0.013 4.309 4.320 0.005 0.000 0.280 191 K C -1.491 175.150 176.600 0.070 0.000 1.063 191 K CA -0.803 55.512 56.287 0.047 0.000 1.071 191 K CB 0.502 33.013 32.500 0.018 0.000 0.899 191 K HN 0.388 nan 8.250 nan 0.000 0.473 192 P HA -0.204 nan 4.420 nan 0.000 0.217 192 P C 0.925 178.271 177.300 0.075 0.000 1.150 192 P CA 1.178 64.334 63.100 0.093 0.000 0.832 192 P CB 0.232 31.990 31.700 0.097 0.000 0.787 193 A N 0.635 123.484 122.820 0.050 0.000 1.898 193 A HA -0.181 4.141 4.320 0.005 0.000 0.216 193 A C 2.026 179.637 177.584 0.045 0.000 1.181 193 A CA 1.980 54.042 52.037 0.042 0.000 0.620 193 A CB -1.303 17.711 19.000 0.023 0.000 0.819 193 A HN 0.064 nan 8.150 nan 0.000 0.442 194 D N -0.634 119.790 120.400 0.041 0.000 2.117 194 D HA -0.128 4.515 4.640 0.005 0.000 0.197 194 D C 1.886 178.223 176.300 0.060 0.000 0.987 194 D CA 1.608 55.632 54.000 0.039 0.000 0.829 194 D CB -0.303 40.512 40.800 0.025 0.000 0.961 194 D HN 0.561 nan 8.370 nan 0.000 0.460 195 E N 0.678 120.928 120.200 0.083 0.000 2.110 195 E HA -0.077 4.276 4.350 0.005 0.000 0.193 195 E C 1.904 178.577 176.600 0.121 0.000 0.988 195 E CA 1.170 57.643 56.400 0.122 0.000 0.804 195 E CB -0.232 29.567 29.700 0.165 0.000 0.745 195 E HN 0.176 nan 8.360 nan 0.000 0.458 196 A N 0.857 123.738 122.820 0.102 0.000 1.908 196 A HA -0.253 4.070 4.320 0.005 0.000 0.218 196 A C 2.013 179.643 177.584 0.077 0.000 1.181 196 A CA 1.905 53.998 52.037 0.094 0.000 0.627 196 A CB -0.456 18.589 19.000 0.075 0.000 0.818 196 A HN 0.199 nan 8.150 nan 0.000 0.445 197 K N -0.389 120.049 120.400 0.062 0.000 2.063 197 K HA -0.092 4.231 4.320 0.005 0.000 0.208 197 K C 1.868 178.503 176.600 0.058 0.000 1.048 197 K CA 1.526 57.842 56.287 0.048 0.000 0.928 197 K CB -0.430 32.093 32.500 0.038 0.000 0.713 197 K HN 0.488 nan 8.250 nan 0.000 0.442 198 L N 0.462 121.731 121.223 0.077 0.000 2.056 198 L HA -0.175 4.168 4.340 0.005 0.000 0.207 198 L C 2.382 179.324 176.870 0.121 0.000 1.078 198 L CA 0.866 55.761 54.840 0.093 0.000 0.749 198 L CB -0.472 41.653 42.059 0.109 0.000 0.901 198 L HN -0.006 nan 8.230 nan 0.000 0.433 199 V N 0.122 120.127 119.914 0.151 0.000 2.358 199 V HA -0.257 3.866 4.120 0.005 0.000 0.246 199 V C 2.321 178.461 176.094 0.076 0.000 1.047 199 V CA 1.632 64.057 62.300 0.207 0.000 1.035 199 V CB -0.219 31.768 31.823 0.274 0.000 0.658 199 V HN 0.305 nan 8.190 nan 0.000 0.452 200 I N -0.183 120.410 120.570 0.039 0.000 2.226 200 I HA -0.320 3.853 4.170 0.005 0.000 0.245 200 I C 2.632 178.726 176.117 -0.038 0.000 1.100 200 I CA 1.911 63.196 61.300 -0.025 0.000 1.374 200 I CB -0.345 37.653 38.000 -0.004 0.000 1.057 200 I HN 0.394 nan 8.210 nan 0.000 0.413 201 Q N 1.080 120.883 119.800 0.004 0.000 2.079 201 Q HA -0.241 4.102 4.340 0.005 0.000 0.200 201 Q C 2.023 178.025 176.000 0.003 0.000 0.974 201 Q CA 1.586 57.392 55.803 0.005 0.000 0.840 201 Q CB 0.056 28.808 28.738 0.024 0.000 0.898 201 Q HN 0.491 nan 8.270 nan 0.000 0.430 202 E N 0.241 120.464 120.200 0.038 0.000 2.085 202 E HA -0.203 4.150 4.350 0.005 0.000 0.194 202 E C 2.074 178.644 176.600 -0.049 0.000 0.994 202 E CA 1.355 57.802 56.400 0.077 0.000 0.801 202 E CB -0.061 29.793 29.700 0.256 0.000 0.743 202 E HN 0.372 nan 8.360 nan 0.000 0.453 203 L N 0.735 121.814 121.223 -0.240 0.000 2.027 203 L HA -0.222 4.121 4.340 0.005 0.000 0.206 203 L C 2.594 179.332 176.870 -0.220 0.000 1.074 203 L CA 0.902 55.483 54.840 -0.432 0.000 0.745 203 L CB -0.255 41.447 42.059 -0.595 0.000 0.898 203 L HN 0.135 nan 8.230 nan 0.000 0.433 204 Q N -0.138 119.580 119.800 -0.137 0.000 2.170 204 Q HA -0.217 4.126 4.340 0.005 0.000 0.203 204 Q C 2.017 177.986 176.000 -0.051 0.000 0.976 204 Q CA 1.374 57.129 55.803 -0.080 0.000 0.858 204 Q CB -0.199 28.510 28.738 -0.048 0.000 0.907 204 Q HN 0.631 nan 8.270 nan 0.000 0.433 205 Q N -0.501 119.276 119.800 -0.037 0.000 2.451 205 Q HA -0.017 4.326 4.340 0.005 0.000 0.206 205 Q C 1.397 177.394 176.000 -0.005 0.000 0.947 205 Q CA 1.346 57.142 55.803 -0.012 0.000 0.937 205 Q CB 0.495 29.238 28.738 0.007 0.000 1.025 205 Q HN 0.502 nan 8.270 nan 0.000 0.511 206 T N -3.836 110.706 114.554 -0.019 0.000 3.057 206 T HA 0.137 4.489 4.350 0.005 0.000 0.254 206 T C 1.483 176.173 174.700 -0.018 0.000 0.965 206 T CA -0.212 61.890 62.100 0.004 0.000 0.978 206 T CB 0.250 69.152 68.868 0.057 0.000 1.169 206 T HN -0.066 nan 8.240 nan 0.000 0.489 207 E N 0.789 120.945 120.200 -0.073 0.000 2.399 207 E HA 0.232 4.585 4.350 0.005 0.000 0.205 207 E C 0.136 176.683 176.600 -0.088 0.000 0.906 207 E CA 0.076 56.424 56.400 -0.086 0.000 0.998 207 E CB 0.254 29.858 29.700 -0.159 0.000 1.002 207 E HN 0.337 nan 8.360 nan 0.000 0.501 208 K N 1.801 122.144 120.400 -0.096 0.000 3.419 208 K HA -0.113 4.210 4.320 0.005 0.000 0.272 208 K C -2.635 173.922 176.600 -0.071 0.000 0.973 208 K CA 0.189 56.436 56.287 -0.068 0.000 0.749 208 K CB -1.182 31.296 32.500 -0.038 0.000 1.403 208 K HN 0.143 nan 8.250 nan 0.000 0.456 209 P HA 0.022 nan 4.420 nan 0.000 0.269 209 P C 0.049 177.303 177.300 -0.076 0.000 1.209 209 P CA 0.025 63.056 63.100 -0.115 0.000 0.776 209 P CB 0.745 32.346 31.700 -0.166 0.000 0.876 210 D N 1.235 121.570 120.400 -0.108 0.000 2.149 210 D HA 0.025 4.668 4.640 0.005 0.000 0.201 210 D C 0.823 177.040 176.300 -0.139 0.000 0.972 210 D CA 1.452 55.383 54.000 -0.116 0.000 0.835 210 D CB 0.291 40.862 40.800 -0.381 0.000 0.966 210 D HN 0.397 nan 8.370 nan 0.000 0.476 211 I N 0.567 121.018 120.570 -0.198 0.000 2.686 211 I HA 0.321 4.494 4.170 0.005 0.000 0.295 211 I C -0.769 175.278 176.117 -0.116 0.000 1.114 211 I CA -0.631 60.576 61.300 -0.156 0.000 1.038 211 I CB 3.014 40.860 38.000 -0.256 0.000 1.238 211 I HN -0.311 nan 8.210 nan 0.000 0.420 212 I N 6.289 126.808 120.570 -0.084 0.000 2.466 212 I HA 0.513 4.686 4.170 0.005 0.000 0.289 212 I C -0.833 175.256 176.117 -0.046 0.000 1.026 212 I CA -0.466 60.795 61.300 -0.065 0.000 1.078 212 I CB 2.135 40.097 38.000 -0.063 0.000 1.249 212 I HN 0.343 nan 8.210 nan 0.000 0.429 213 I N 4.650 125.208 120.570 -0.020 0.000 2.569 213 I HA 0.641 4.814 4.170 0.005 0.000 0.296 213 I C -0.124 176.020 176.117 0.045 0.000 1.028 213 I CA -0.614 60.682 61.300 -0.006 0.000 1.082 213 I CB 2.244 40.228 38.000 -0.027 0.000 1.264 213 I HN 0.608 nan 8.210 nan 0.000 0.429 214 A N 4.509 127.361 122.820 0.053 0.000 2.287 214 A HA 0.844 5.167 4.320 0.005 0.000 0.317 214 A C -0.389 177.247 177.584 0.086 0.000 1.220 214 A CA -0.541 51.545 52.037 0.083 0.000 0.835 214 A CB 1.019 20.065 19.000 0.077 0.000 1.180 214 A HN 0.753 nan 8.150 nan 0.000 0.500 215 A N 2.781 125.671 122.820 0.116 0.000 2.260 215 A HA 0.715 5.038 4.320 0.005 0.000 0.308 215 A C 0.448 178.115 177.584 0.138 0.000 1.254 215 A CA 0.228 52.340 52.037 0.125 0.000 0.874 215 A CB -0.032 19.060 19.000 0.153 0.000 1.153 215 A HN 1.541 nan 8.150 nan 0.000 0.527 216 T N -0.538 114.093 114.554 0.128 0.000 2.906 216 T HA 0.573 4.926 4.350 0.005 0.000 0.295 216 T C -0.775 174.020 174.700 0.158 0.000 1.075 216 T CA -0.489 61.694 62.100 0.138 0.000 1.005 216 T CB 1.452 70.378 68.868 0.097 0.000 1.136 216 T HN 0.631 nan 8.240 nan 0.000 0.498 217 H N 1.136 120.262 119.070 0.093 0.000 2.348 217 H HA 0.595 5.154 4.556 0.005 0.000 0.232 217 H C 0.158 175.508 175.328 0.037 0.000 1.419 217 H CA -0.550 55.553 56.048 0.092 0.000 1.416 217 H CB 0.024 29.836 29.762 0.083 0.000 1.510 217 H HN 0.672 nan 8.280 nan 0.000 0.507 218 M N 0.866 120.421 119.600 -0.075 0.000 2.180 218 M HA 0.320 4.803 4.480 0.005 0.000 0.289 218 M C 0.409 176.762 176.300 0.087 0.000 1.089 218 M CA 0.626 55.932 55.300 0.010 0.000 1.120 218 M CB 1.505 34.134 32.600 0.048 0.000 1.864 218 M HN 0.583 nan 8.290 nan 0.000 0.636 219 G N 1.072 109.853 108.800 -0.031 0.000 2.784 219 G HA2 -0.143 3.820 3.960 0.005 0.000 0.686 219 G HA3 -0.143 3.820 3.960 0.005 0.000 0.686 219 G C -1.371 173.285 174.900 -0.406 0.000 1.156 219 G CA -0.865 44.095 45.100 -0.234 0.000 0.757 219 G HN 0.466 nan 8.290 nan 0.000 0.642 220 H N 1.576 120.321 119.070 -0.542 0.000 2.519 220 H HA 0.639 5.198 4.556 0.005 0.000 0.316 220 H C -1.005 173.977 175.328 -0.577 0.000 1.065 220 H CA -0.306 55.500 56.048 -0.404 0.000 1.264 220 H CB 0.844 30.472 29.762 -0.223 0.000 1.413 220 H HN 0.442 nan 8.280 nan 0.000 0.465 221 Y N 2.539 122.614 120.300 -0.374 0.000 2.376 221 Y HA 0.120 4.673 4.550 0.005 0.000 0.340 221 Y C 0.221 175.957 175.900 -0.274 0.000 0.965 221 Y CA -1.140 56.857 58.100 -0.171 0.000 1.078 221 Y CB 1.060 39.485 38.460 -0.059 0.000 1.193 221 Y HN 0.571 nan 8.280 nan 0.000 0.452 222 D N 2.599 123.043 120.400 0.073 0.000 2.531 222 D HA -0.074 4.569 4.640 0.005 0.000 0.239 222 D C 0.818 177.128 176.300 0.015 0.000 1.144 222 D CA 1.160 55.203 54.000 0.072 0.000 0.869 222 D CB 0.147 40.999 40.800 0.086 0.000 1.160 222 D HN 0.681 nan 8.370 nan 0.000 0.484 223 N N 1.855 120.553 118.700 -0.004 0.000 2.693 223 N HA -0.249 4.494 4.740 0.005 0.000 0.249 223 N C 0.779 176.278 175.510 -0.017 0.000 1.119 223 N CA 1.802 54.844 53.050 -0.012 0.000 0.717 223 N CB -0.995 37.488 38.487 -0.007 0.000 1.071 223 N HN 0.755 nan 8.380 nan 0.000 0.555 224 G N -0.890 107.901 108.800 -0.014 0.000 2.179 224 G HA2 -0.330 3.633 3.960 0.005 0.000 0.257 224 G HA3 -0.330 3.633 3.960 0.005 0.000 0.257 224 G C -0.230 174.674 174.900 0.007 0.000 1.010 224 G CA 0.463 45.594 45.100 0.052 0.000 0.736 224 G HN 0.670 nan 8.290 nan 0.000 0.513 225 E N 0.345 120.523 120.200 -0.037 0.000 1.979 225 E HA 0.308 4.661 4.350 0.005 0.000 0.285 225 E C 1.238 177.673 176.600 -0.275 0.000 1.188 225 E CA 0.004 56.297 56.400 -0.178 0.000 1.214 225 E CB -0.170 29.473 29.700 -0.096 0.000 1.210 225 E HN 0.861 nan 8.360 nan 0.000 0.477 226 H N 0.695 119.559 119.070 -0.343 0.000 2.555 226 H HA 0.197 4.756 4.556 0.005 0.000 0.269 226 H C 1.305 176.314 175.328 -0.531 0.000 0.988 226 H CA 0.160 55.684 56.048 -0.872 0.000 1.178 226 H CB 0.074 29.405 29.762 -0.718 0.000 1.373 226 H HN 0.453 nan 8.280 nan 0.000 0.588 227 G N 0.869 109.380 108.800 -0.482 0.000 2.634 227 G HA2 -0.466 3.497 3.960 0.005 0.000 0.309 227 G HA3 -0.466 3.497 3.960 0.005 0.000 0.309 227 G C 1.607 176.467 174.900 -0.067 0.000 1.265 227 G CA 1.831 46.789 45.100 -0.235 0.000 0.998 227 G HN 0.918 nan 8.290 nan 0.000 0.551 228 S N 0.875 116.557 115.700 -0.030 0.000 2.515 228 S HA 0.063 4.536 4.470 0.005 0.000 0.231 228 S C 0.945 175.561 174.600 0.027 0.000 0.987 228 S CA 1.031 59.242 58.200 0.018 0.000 0.936 228 S CB -0.224 62.990 63.200 0.024 0.000 0.766 228 S HN 0.676 nan 8.310 nan 0.000 0.528 229 N N 2.164 120.858 118.700 -0.009 0.000 2.424 229 N HA 0.469 5.212 4.740 0.005 0.000 0.257 229 N C 0.018 175.509 175.510 -0.033 0.000 1.250 229 N CA 0.205 53.247 53.050 -0.013 0.000 0.946 229 N CB 0.658 39.107 38.487 -0.062 0.000 1.175 229 N HN 0.375 nan 8.380 nan 0.000 0.477 230 A N 1.573 124.375 122.820 -0.031 0.000 2.483 230 A HA 0.259 4.582 4.320 0.005 0.000 0.238 230 A C -2.021 175.400 177.584 -0.271 0.000 1.070 230 A CA -0.754 51.210 52.037 -0.122 0.000 0.770 230 A CB -0.566 18.403 19.000 -0.052 0.000 1.008 230 A HN 0.412 nan 8.150 nan 0.000 0.497 231 P HA 0.187 nan 4.420 nan 0.000 0.265 231 P C 0.584 177.822 177.300 -0.102 0.000 1.187 231 P CA 0.909 63.631 63.100 -0.631 0.000 0.766 231 P CB 0.763 32.201 31.700 -0.437 0.000 0.820 232 G N 1.456 110.317 108.800 0.101 0.000 3.135 232 G HA2 0.123 4.086 3.960 0.005 0.000 0.159 232 G HA3 0.123 4.086 3.960 0.005 0.000 0.159 232 G C 0.415 175.362 174.900 0.078 0.000 1.244 232 G CA -0.277 44.923 45.100 0.168 0.000 0.965 232 G HN 0.283 nan 8.290 nan 0.000 0.599 233 D N -0.595 119.828 120.400 0.039 0.000 2.123 233 D HA -0.126 4.517 4.640 0.005 0.000 0.196 233 D C 2.727 179.032 176.300 0.009 0.000 0.992 233 D CA 0.992 55.005 54.000 0.022 0.000 0.833 233 D CB -0.292 40.523 40.800 0.025 0.000 0.954 233 D HN 0.043 nan 8.370 nan 0.000 0.455 234 V N 1.039 120.933 119.914 -0.033 0.000 2.295 234 V HA -0.222 3.901 4.120 0.005 0.000 0.246 234 V C 2.493 178.591 176.094 0.006 0.000 1.049 234 V CA 1.806 64.083 62.300 -0.040 0.000 1.024 234 V CB -0.469 31.284 31.823 -0.117 0.000 0.648 234 V HN 0.198 nan 8.190 nan 0.000 0.447 235 E N -0.365 119.861 120.200 0.044 0.000 2.110 235 E HA -0.278 4.075 4.350 0.005 0.000 0.193 235 E C 2.228 178.843 176.600 0.026 0.000 0.988 235 E CA 1.732 58.162 56.400 0.050 0.000 0.804 235 E CB -0.141 29.609 29.700 0.085 0.000 0.745 235 E HN 0.592 nan 8.360 nan 0.000 0.458 236 M N 0.144 119.758 119.600 0.024 0.000 2.086 236 M HA -0.146 4.337 4.480 0.005 0.000 0.261 236 M C 2.229 178.538 176.300 0.016 0.000 1.067 236 M CA 1.850 57.163 55.300 0.022 0.000 1.116 236 M CB -0.094 32.524 32.600 0.030 0.000 1.348 236 M HN 0.182 nan 8.290 nan 0.000 0.407 237 A N 0.767 123.594 122.820 0.011 0.000 1.908 237 A HA -0.202 4.121 4.320 0.005 0.000 0.218 237 A C 2.087 179.665 177.584 -0.010 0.000 1.181 237 A CA 1.939 53.975 52.037 -0.001 0.000 0.627 237 A CB -0.736 18.258 19.000 -0.010 0.000 0.818 237 A HN 0.629 nan 8.150 nan 0.000 0.445 238 R N -0.746 119.750 120.500 -0.007 0.000 2.148 238 R HA 0.006 4.349 4.340 0.005 0.000 0.227 238 R C 2.242 178.540 176.300 -0.004 0.000 1.103 238 R CA 0.998 57.092 56.100 -0.010 0.000 0.983 238 R CB -0.312 29.985 30.300 -0.005 0.000 0.874 238 R HN 0.518 nan 8.270 nan 0.000 0.451 239 A N 0.808 123.630 122.820 0.004 0.000 2.021 239 A HA 0.108 4.431 4.320 0.005 0.000 0.216 239 A C 1.052 178.640 177.584 0.006 0.000 1.163 239 A CA 0.277 52.318 52.037 0.007 0.000 0.676 239 A CB 0.003 19.010 19.000 0.012 0.000 0.818 239 A HN 0.061 nan 8.150 nan 0.000 0.453 240 L N -0.036 121.190 121.223 0.006 0.000 2.475 240 L HA 0.272 4.615 4.340 0.005 0.000 0.253 240 L C -2.299 174.571 176.870 -0.001 0.000 1.198 240 L CA -2.133 52.711 54.840 0.006 0.000 0.814 240 L CB 0.158 42.223 42.059 0.009 0.000 1.134 240 L HN 0.001 nan 8.230 nan 0.000 0.478 241 P HA 0.071 nan 4.420 nan 0.000 0.271 241 P C -0.871 176.423 177.300 -0.010 0.000 1.216 241 P CA -0.318 62.780 63.100 -0.004 0.000 0.776 241 P CB 0.657 32.357 31.700 -0.000 0.000 0.881 242 A N 3.233 126.044 122.820 -0.016 0.000 2.584 242 A HA 0.353 4.676 4.320 0.005 0.000 0.239 242 A C 1.597 179.167 177.584 -0.022 0.000 1.043 242 A CA 0.776 52.797 52.037 -0.027 0.000 0.756 242 A CB -1.478 17.504 19.000 -0.031 0.000 0.963 242 A HN 0.905 nan 8.150 nan 0.000 0.511 243 G N 1.760 110.541 108.800 -0.032 0.000 2.180 243 G HA2 -0.311 3.652 3.960 0.005 0.000 0.263 243 G HA3 -0.311 3.652 3.960 0.005 0.000 0.263 243 G C 1.187 176.089 174.900 0.004 0.000 0.989 243 G CA 1.424 46.514 45.100 -0.015 0.000 0.692 243 G HN 2.119 nan 8.290 nan 0.000 0.526 244 S N -1.283 114.417 115.700 -0.000 0.000 2.447 244 S HA 0.305 4.778 4.470 0.005 0.000 0.233 244 S C 0.965 175.569 174.600 0.005 0.000 1.006 244 S CA 0.993 59.196 58.200 0.004 0.000 0.957 244 S CB 0.182 63.384 63.200 0.002 0.000 0.773 244 S HN 0.624 nan 8.310 nan 0.000 0.507 245 L N 0.147 121.376 121.223 0.010 0.000 2.362 245 L HA 0.656 4.999 4.340 0.005 0.000 0.271 245 L C 1.187 178.076 176.870 0.032 0.000 1.002 245 L CA -0.441 54.407 54.840 0.013 0.000 0.818 245 L CB 1.698 43.771 42.059 0.022 0.000 1.298 245 L HN 0.087 nan 8.230 nan 0.000 0.420 246 A N 3.982 126.808 122.820 0.010 0.000 1.898 246 A HA 0.062 4.385 4.320 0.005 0.000 0.216 246 A C 0.651 178.342 177.584 0.179 0.000 1.181 246 A CA 1.459 53.516 52.037 0.032 0.000 0.620 246 A CB -0.056 18.810 19.000 -0.223 0.000 0.819 246 A HN 0.763 nan 8.150 nan 0.000 0.442 247 M N -3.209 116.455 119.600 0.107 0.000 2.643 247 M HA 0.628 5.111 4.480 0.005 0.000 0.276 247 M C -2.074 174.275 176.300 0.081 0.000 1.200 247 M CA -0.585 54.822 55.300 0.178 0.000 0.863 247 M CB 1.433 34.183 32.600 0.250 0.000 1.711 247 M HN -0.104 nan 8.290 nan 0.000 0.492 248 I N 2.235 122.848 120.570 0.073 0.000 2.355 248 I HA 0.456 4.629 4.170 0.005 0.000 0.288 248 I C -0.890 175.224 176.117 -0.005 0.000 0.999 248 I CA -1.080 60.244 61.300 0.040 0.000 1.163 248 I CB 2.094 40.122 38.000 0.046 0.000 1.316 248 I HN 0.477 nan 8.210 nan 0.000 0.454 249 V N 6.660 126.562 119.914 -0.019 0.000 2.320 249 V HA 0.439 4.562 4.120 0.005 0.000 0.265 249 V C 0.806 176.907 176.094 0.012 0.000 1.048 249 V CA -0.135 62.112 62.300 -0.088 0.000 0.865 249 V CB 0.723 32.516 31.823 -0.051 0.000 1.043 249 V HN 0.903 nan 8.190 nan 0.000 0.474 250 G N 3.050 111.856 108.800 0.009 0.000 2.671 250 G HA2 0.884 4.847 3.960 0.005 0.000 0.275 250 G HA3 0.884 4.847 3.960 0.005 0.000 0.275 250 G C 0.015 174.954 174.900 0.065 0.000 1.368 250 G CA -0.066 45.059 45.100 0.041 0.000 1.044 250 G HN 1.061 nan 8.290 nan 0.000 0.543 251 G N -3.476 105.321 108.800 -0.005 0.000 2.435 251 G HA2 0.492 4.454 3.960 0.005 0.000 0.296 251 G HA3 0.492 4.454 3.960 0.005 0.000 0.296 251 G C 0.002 174.792 174.900 -0.184 0.000 1.240 251 G CA 1.066 46.148 45.100 -0.030 0.000 0.872 251 G HN 1.596 nan 8.290 nan 0.000 0.480 252 H N -1.170 117.639 119.070 -0.435 0.000 4.836 252 H HA -0.332 4.226 4.556 0.005 0.000 0.067 252 H C 2.353 177.643 175.328 -0.063 0.000 0.594 252 H CA 3.974 59.808 56.048 -0.357 0.000 0.978 252 H CB -1.440 27.976 29.762 -0.577 0.000 0.436 252 H HN 1.223 nan 8.280 nan 0.000 0.790 253 S N 1.253 116.827 115.700 -0.209 0.000 2.447 253 S HA -0.044 4.429 4.470 0.005 0.000 0.233 253 S C 0.817 175.347 174.600 -0.117 0.000 1.006 253 S CA 1.131 59.190 58.200 -0.235 0.000 0.957 253 S CB -0.067 62.944 63.200 -0.314 0.000 0.773 253 S HN 0.719 nan 8.310 nan 0.000 0.507 254 Q N 1.152 120.926 119.800 -0.044 0.000 2.451 254 Q HA -0.113 4.230 4.340 0.005 0.000 0.334 254 Q C -1.460 174.543 176.000 0.006 0.000 1.462 254 Q CA 0.622 56.455 55.803 0.049 0.000 0.876 254 Q CB -1.478 27.297 28.738 0.061 0.000 1.125 254 Q HN 0.604 nan 8.270 nan 0.000 0.358 255 D N 0.329 120.671 120.400 -0.096 0.000 2.661 255 D HA 0.391 5.034 4.640 0.005 0.000 0.228 255 D C -2.664 173.468 176.300 -0.281 0.000 1.183 255 D CA -1.578 52.241 54.000 -0.302 0.000 0.844 255 D CB 2.074 42.731 40.800 -0.238 0.000 1.555 255 D HN -0.111 nan 8.370 nan 0.000 0.453 256 P HA 0.158 nan 4.420 nan 0.000 0.292 256 P C -0.171 176.872 177.300 -0.428 0.000 1.326 256 P CA -0.438 62.417 63.100 -0.409 0.000 0.787 256 P CB 0.829 32.197 31.700 -0.554 0.000 0.903 257 V N 5.212 124.903 119.914 -0.370 0.000 2.326 257 V HA 0.089 4.212 4.120 0.005 0.000 0.249 257 V C 0.189 176.037 176.094 -0.409 0.000 1.114 257 V CA 0.303 62.338 62.300 -0.441 0.000 1.028 257 V CB -0.494 31.038 31.823 -0.486 0.000 1.170 257 V HN 0.642 nan 8.190 nan 0.000 0.494 258 c N 6.871 125.229 118.600 -0.403 0.000 2.381 258 c HA 0.575 5.148 4.570 0.005 0.000 0.328 258 c C 0.122 174.097 174.090 -0.193 0.000 1.190 258 c CA -1.186 54.944 56.329 -0.332 0.000 1.369 258 c CB 1.043 43.215 42.510 -0.563 0.000 2.029 258 c HN 0.649 nan 8.230 nan 0.000 0.448 259 M N 2.365 121.891 119.600 -0.122 0.000 2.211 259 M HA 0.316 4.798 4.480 0.005 0.000 0.356 259 M C 0.966 177.254 176.300 -0.019 0.000 1.216 259 M CA -0.351 54.911 55.300 -0.063 0.000 1.134 259 M CB 0.454 33.033 32.600 -0.035 0.000 1.564 259 M HN 0.813 nan 8.290 nan 0.000 0.463 260 A N 2.157 124.973 122.820 -0.007 0.000 2.014 260 A HA 0.637 4.960 4.320 0.005 0.000 0.210 260 A C 0.846 178.435 177.584 0.009 0.000 1.188 260 A CA 1.012 53.054 52.037 0.008 0.000 0.731 260 A CB 0.230 19.236 19.000 0.010 0.000 0.858 260 A HN 0.862 nan 8.150 nan 0.000 0.464 261 A N -1.019 121.805 122.820 0.007 0.000 2.581 261 A HA 0.563 4.886 4.320 0.005 0.000 0.290 261 A C -0.748 176.842 177.584 0.009 0.000 1.119 261 A CA -0.462 51.580 52.037 0.008 0.000 0.670 261 A CB 0.212 19.216 19.000 0.007 0.000 1.280 261 A HN 0.177 nan 8.150 nan 0.000 0.425 262 E N 1.036 121.240 120.200 0.007 0.000 2.465 262 E HA 0.054 4.407 4.350 0.005 0.000 0.260 262 E C -0.166 176.441 176.600 0.012 0.000 0.980 262 E CA 0.547 56.950 56.400 0.005 0.000 0.927 262 E CB 0.000 29.699 29.700 -0.002 0.000 0.934 262 E HN 0.544 nan 8.360 nan 0.000 0.459 263 N N 2.740 121.454 118.700 0.023 0.000 2.708 263 N HA -0.230 4.513 4.740 0.005 0.000 0.251 263 N C -0.871 174.670 175.510 0.051 0.000 1.123 263 N CA 1.238 54.312 53.050 0.040 0.000 0.739 263 N CB -0.726 37.772 38.487 0.018 0.000 1.113 263 N HN 0.505 nan 8.380 nan 0.000 0.561 264 K N 1.025 121.451 120.400 0.043 0.000 2.613 264 K HA 0.228 4.551 4.320 0.005 0.000 0.248 264 K C -0.516 176.095 176.600 0.019 0.000 0.959 264 K CA -0.500 55.808 56.287 0.036 0.000 0.855 264 K CB 1.288 33.799 32.500 0.019 0.000 1.143 264 K HN -0.066 nan 8.250 nan 0.000 0.437 265 K N 2.405 122.816 120.400 0.018 0.000 2.258 265 K HA 0.069 4.392 4.320 0.005 0.000 0.264 265 K C 0.086 176.667 176.600 -0.032 0.000 1.007 265 K CA -0.115 56.144 56.287 -0.048 0.000 0.941 265 K CB 0.733 33.182 32.500 -0.086 0.000 0.966 265 K HN 0.531 nan 8.250 nan 0.000 0.480 266 Q N 0.934 120.711 119.800 -0.039 0.000 2.395 266 Q HA 0.057 4.400 4.340 0.005 0.000 0.271 266 Q C -0.467 175.533 176.000 0.001 0.000 1.026 266 Q CA -0.021 55.786 55.803 0.006 0.000 0.900 266 Q CB 0.845 29.624 28.738 0.069 0.000 1.266 266 Q HN 0.236 nan 8.270 nan 0.000 0.430 267 V N 2.884 122.805 119.914 0.012 0.000 2.483 267 V HA 0.067 4.190 4.120 0.005 0.000 0.295 267 V C -0.302 175.804 176.094 0.020 0.000 1.035 267 V CA -0.389 61.914 62.300 0.005 0.000 0.896 267 V CB 1.667 33.490 31.823 0.001 0.000 0.986 267 V HN 0.871 nan 8.190 nan 0.000 0.447 268 D N 2.187 122.599 120.400 0.019 0.000 2.699 268 D HA -0.233 4.410 4.640 0.005 0.000 0.239 268 D C -0.301 176.017 176.300 0.029 0.000 1.136 268 D CA 0.699 54.714 54.000 0.024 0.000 0.668 268 D CB -0.950 39.856 40.800 0.010 0.000 1.060 268 D HN 0.639 nan 8.370 nan 0.000 0.429 269 Y N 0.183 120.446 120.300 -0.060 0.000 2.712 269 Y HA 0.184 4.737 4.550 0.004 0.000 0.333 269 Y C 0.018 175.886 175.900 -0.053 0.000 1.225 269 Y CA 0.002 58.061 58.100 -0.069 0.000 1.499 269 Y CB 0.633 39.026 38.460 -0.112 0.000 1.288 269 Y HN -0.048 nan 8.280 nan 0.000 0.575 270 V N 9.505 128.883 119.914 -0.894 0.000 2.383 270 V HA 0.280 4.402 4.120 0.005 0.000 0.275 270 V C -2.068 173.402 176.094 -1.040 0.000 1.036 270 V CA -2.158 59.696 62.300 -0.743 0.000 0.889 270 V CB 1.072 32.656 31.823 -0.398 0.000 0.985 270 V HN 0.750 nan 8.190 nan 0.000 0.459 271 P HA 0.179 nan 4.420 nan 0.000 0.265 271 P C 0.991 178.031 177.300 -0.432 0.000 1.187 271 P CA 1.367 64.150 63.100 -0.529 0.000 0.766 271 P CB 0.561 31.772 31.700 -0.816 0.000 0.820 272 G N 1.087 109.820 108.800 -0.113 0.000 2.176 272 G HA2 -0.211 3.752 3.960 0.005 0.000 0.253 272 G HA3 -0.211 3.752 3.960 0.005 0.000 0.253 272 G C 0.334 175.209 174.900 -0.040 0.000 0.979 272 G CA 0.396 45.478 45.100 -0.031 0.000 0.641 272 G HN 0.832 nan 8.290 nan 0.000 0.530 273 T N -1.230 113.259 114.554 -0.108 0.000 2.944 273 T HA 0.696 5.049 4.350 0.005 0.000 0.284 273 T C -2.399 172.356 174.700 0.093 0.000 1.010 273 T CA -1.585 60.484 62.100 -0.051 0.000 1.025 273 T CB 2.259 71.038 68.868 -0.148 0.000 1.079 273 T HN 0.032 nan 8.240 nan 0.000 0.516 274 P HA 0.292 nan 4.420 nan 0.000 0.266 274 P C -0.896 176.510 177.300 0.176 0.000 1.195 274 P CA -0.450 62.708 63.100 0.097 0.000 0.768 274 P CB 0.243 31.976 31.700 0.055 0.000 0.838 275 c N 4.508 123.171 118.600 0.106 0.000 2.383 275 c HA 0.403 4.976 4.570 0.005 0.000 0.330 275 c C -0.290 173.841 174.090 0.069 0.000 1.168 275 c CA -0.732 55.615 56.329 0.030 0.000 1.374 275 c CB -0.404 42.053 42.510 -0.089 0.000 2.014 275 c HN 0.569 nan 8.230 nan 0.000 0.439 276 K N 8.083 128.483 120.400 -0.001 0.000 2.264 276 K HA 0.478 4.801 4.320 0.005 0.000 0.277 276 K C -2.197 174.348 176.600 -0.091 0.000 1.067 276 K CA -1.261 55.022 56.287 -0.007 0.000 0.900 276 K CB 1.201 33.713 32.500 0.020 0.000 1.124 276 K HN 0.549 nan 8.250 nan 0.000 0.469 277 P HA 0.025 nan 4.420 nan 0.000 0.273 277 P C -0.697 176.608 177.300 0.008 0.000 1.250 277 P CA -0.302 62.624 63.100 -0.290 0.000 0.793 277 P CB 0.649 31.928 31.700 -0.700 0.000 1.011 278 D N -0.160 120.224 120.400 -0.027 0.000 2.313 278 D HA 0.160 4.802 4.640 0.005 0.000 0.247 278 D C -0.566 175.772 176.300 0.063 0.000 1.094 278 D CA 0.174 54.196 54.000 0.036 0.000 0.925 278 D CB 0.516 41.358 40.800 0.070 0.000 1.188 278 D HN 0.226 nan 8.370 nan 0.000 0.430 279 Q N 1.864 121.601 119.800 -0.105 0.000 2.274 279 Q HA 0.280 4.623 4.340 0.005 0.000 0.268 279 Q C -1.531 174.319 176.000 -0.249 0.000 1.015 279 Q CA -0.797 54.767 55.803 -0.399 0.000 0.775 279 Q CB 1.215 29.385 28.738 -0.948 0.000 1.256 279 Q HN 0.321 nan 8.270 nan 0.000 0.442 280 Q N 2.750 122.428 119.800 -0.204 0.000 2.292 280 Q HA 0.228 4.571 4.340 0.005 0.000 0.270 280 Q C -0.773 175.149 176.000 -0.130 0.000 1.024 280 Q CA -0.503 55.225 55.803 -0.125 0.000 0.768 280 Q CB 1.703 30.405 28.738 -0.060 0.000 1.250 280 Q HN 0.870 nan 8.270 nan 0.000 0.447 281 N N 1.505 120.136 118.700 -0.116 0.000 2.727 281 N HA -0.252 4.491 4.740 0.005 0.000 0.249 281 N C 0.595 176.033 175.510 -0.120 0.000 1.048 281 N CA 1.871 54.864 53.050 -0.095 0.000 0.714 281 N CB -0.971 37.480 38.487 -0.059 0.000 0.959 281 N HN 1.078 nan 8.380 nan 0.000 0.544 282 G N -1.459 107.228 108.800 -0.189 0.000 2.168 282 G HA2 -0.297 3.666 3.960 0.005 0.000 0.263 282 G HA3 -0.297 3.666 3.960 0.005 0.000 0.263 282 G C 0.158 174.903 174.900 -0.259 0.000 0.977 282 G CA 0.547 45.512 45.100 -0.224 0.000 0.659 282 G HN 0.579 nan 8.290 nan 0.000 0.533 283 I N -0.218 120.202 120.570 -0.250 0.000 2.389 283 I HA 0.427 4.600 4.170 0.005 0.000 0.288 283 I C 0.222 176.226 176.117 -0.188 0.000 0.999 283 I CA -1.152 60.057 61.300 -0.153 0.000 1.129 283 I CB 0.933 38.904 38.000 -0.049 0.000 1.288 283 I HN 0.114 nan 8.210 nan 0.000 0.444 284 W N 6.936 128.252 121.300 0.027 0.000 2.218 284 W HA 0.457 5.120 4.660 0.006 0.000 0.326 284 W C -0.181 176.311 176.519 -0.045 0.000 1.276 284 W CA -0.140 57.196 57.345 -0.015 0.000 1.210 284 W CB 0.526 29.997 29.460 0.018 0.000 1.143 284 W HN 0.197 nan 8.180 nan 0.000 0.563 285 I N 4.687 125.356 120.570 0.165 0.000 2.447 285 I HA 0.393 4.566 4.170 0.005 0.000 0.287 285 I C -0.241 175.842 176.117 -0.057 0.000 1.023 285 I CA -1.190 60.148 61.300 0.063 0.000 1.083 285 I CB 0.977 39.042 38.000 0.108 0.000 1.245 285 I HN 0.160 nan 8.210 nan 0.000 0.434 286 V N 2.782 122.618 119.914 -0.131 0.000 3.074 286 V HA 0.748 4.871 4.120 0.005 0.000 0.314 286 V C -0.940 175.092 176.094 -0.104 0.000 1.117 286 V CA -0.514 61.650 62.300 -0.226 0.000 1.014 286 V CB 2.021 33.619 31.823 -0.375 0.000 1.057 286 V HN 0.894 nan 8.190 nan 0.000 0.438 287 Q N 0.926 120.747 119.800 0.035 0.000 2.403 287 Q HA 0.682 5.024 4.340 0.005 0.000 0.267 287 Q C -0.970 175.127 176.000 0.161 0.000 0.991 287 Q CA -0.109 55.767 55.803 0.122 0.000 0.906 287 Q CB 2.190 30.920 28.738 -0.013 0.000 1.422 287 Q HN 1.367 nan 8.270 nan 0.000 0.400 288 A N 3.129 126.066 122.820 0.196 0.000 2.842 288 A HA 0.289 4.612 4.320 0.005 0.000 0.298 288 A C 0.286 178.008 177.584 0.230 0.000 1.293 288 A CA 0.801 52.891 52.037 0.089 0.000 0.959 288 A CB -0.652 18.332 19.000 -0.027 0.000 1.119 288 A HN 1.128 nan 8.150 nan 0.000 0.564 289 H N 0.199 119.285 119.070 0.027 0.000 1.475 289 H HA -0.286 4.273 4.556 0.005 0.000 0.090 289 H C 0.276 175.592 175.328 -0.020 0.000 0.616 289 H CA 1.966 58.025 56.048 0.019 0.000 1.899 289 H CB -0.897 28.952 29.762 0.145 0.000 2.253 289 H HN 0.706 nan 8.280 nan 0.000 0.961 290 E N -1.207 118.966 120.200 -0.045 0.000 2.417 290 E HA 0.134 4.487 4.350 0.005 0.000 0.280 290 E C -0.949 175.526 176.600 -0.210 0.000 1.112 290 E CA -0.202 56.094 56.400 -0.174 0.000 0.863 290 E CB 0.607 29.981 29.700 -0.545 0.000 1.346 290 E HN 0.503 nan 8.360 nan 0.000 0.443 291 W N 0.179 121.277 121.300 -0.337 0.000 4.551 291 W HA -0.176 4.486 4.660 0.004 0.000 0.343 291 W C 1.076 177.252 176.519 -0.572 0.000 1.269 291 W CA 1.962 58.894 57.345 -0.687 0.000 0.799 291 W CB -2.351 26.304 29.460 -1.341 0.000 2.352 291 W HN 1.623 nan 8.180 nan 0.000 1.462 292 G N -0.966 107.843 108.800 0.014 0.000 2.179 292 G HA2 -0.428 3.535 3.960 0.005 0.000 0.257 292 G HA3 -0.428 3.535 3.960 0.005 0.000 0.257 292 G C 1.335 176.233 174.900 -0.004 0.000 1.010 292 G CA 0.813 45.961 45.100 0.080 0.000 0.736 292 G HN 0.440 nan 8.290 nan 0.000 0.513 293 K N -1.593 118.734 120.400 -0.121 0.000 2.148 293 K HA 0.110 4.433 4.320 0.005 0.000 0.204 293 K C 0.396 176.766 176.600 -0.384 0.000 1.050 293 K CA 1.079 57.220 56.287 -0.243 0.000 0.942 293 K CB 0.076 32.321 32.500 -0.424 0.000 0.724 293 K HN 0.586 nan 8.250 nan 0.000 0.446 294 Y N -1.527 118.786 120.300 0.021 0.000 2.588 294 Y HA 0.355 4.908 4.550 0.004 0.000 0.343 294 Y C -0.684 175.181 175.900 -0.058 0.000 1.065 294 Y CA -1.306 56.790 58.100 -0.007 0.000 1.038 294 Y CB 1.720 40.169 38.460 -0.017 0.000 1.297 294 Y HN -0.450 nan 8.280 nan 0.000 0.467 295 V N 2.021 121.985 119.914 0.083 0.000 2.378 295 V HA 0.599 4.722 4.120 0.005 0.000 0.288 295 V C 0.304 176.287 176.094 -0.186 0.000 1.016 295 V CA -0.788 61.471 62.300 -0.069 0.000 0.840 295 V CB 1.225 33.008 31.823 -0.067 0.000 0.994 295 V HN 0.941 nan 8.190 nan 0.000 0.431 296 G N 3.898 112.423 108.800 -0.459 0.000 2.467 296 G HA2 0.514 4.477 3.960 0.005 0.000 0.257 296 G HA3 0.514 4.477 3.960 0.005 0.000 0.257 296 G C -0.293 174.432 174.900 -0.290 0.000 1.227 296 G CA -0.388 44.396 45.100 -0.526 0.000 0.835 296 G HN 0.686 nan 8.290 nan 0.000 0.556 297 R N 1.128 121.401 120.500 -0.379 0.000 2.500 297 R HA 0.546 4.889 4.340 0.005 0.000 0.299 297 R C -0.801 175.323 176.300 -0.294 0.000 1.038 297 R CA -0.595 55.362 56.100 -0.237 0.000 0.903 297 R CB 1.168 31.328 30.300 -0.232 0.000 1.177 297 R HN 0.615 nan 8.270 nan 0.000 0.455 298 A N 4.304 127.125 122.820 0.002 0.000 2.273 298 A HA 0.370 4.693 4.320 0.005 0.000 0.315 298 A C -1.069 176.465 177.584 -0.082 0.000 1.256 298 A CA -0.767 51.278 52.037 0.013 0.000 0.851 298 A CB 0.797 19.939 19.000 0.236 0.000 1.172 298 A HN 0.710 nan 8.150 nan 0.000 0.508 299 D N 2.157 122.412 120.400 -0.240 0.000 2.232 299 D HA 0.547 5.190 4.640 0.005 0.000 0.242 299 D C -0.857 175.266 176.300 -0.295 0.000 1.093 299 D CA 0.610 54.523 54.000 -0.145 0.000 0.845 299 D CB 1.086 41.812 40.800 -0.123 0.000 1.124 299 D HN 0.340 nan 8.370 nan 0.000 0.467 300 F N 0.487 120.430 119.950 -0.011 0.000 2.556 300 F HA 0.345 4.874 4.527 0.004 0.000 0.327 300 F C 0.711 176.544 175.800 0.056 0.000 1.059 300 F CA -0.833 57.177 58.000 0.017 0.000 0.953 300 F CB 1.891 40.918 39.000 0.046 0.000 1.227 300 F HN 0.031 nan 8.300 nan 0.000 0.478 301 E N 1.536 121.912 120.200 0.293 0.000 2.218 301 E HA 0.288 4.641 4.350 0.005 0.000 0.263 301 E C -1.765 174.993 176.600 0.265 0.000 0.879 301 E CA -0.673 55.860 56.400 0.222 0.000 0.762 301 E CB 2.329 32.098 29.700 0.115 0.000 1.166 301 E HN 0.419 nan 8.360 nan 0.000 0.415 302 F N 3.603 123.630 119.950 0.129 0.000 2.436 302 F HA 0.526 5.055 4.527 0.004 0.000 0.340 302 F C -0.643 175.199 175.800 0.070 0.000 1.113 302 F CA -0.587 57.449 58.000 0.060 0.000 1.022 302 F CB 0.938 39.923 39.000 -0.025 0.000 1.128 302 F HN 0.305 nan 8.300 nan 0.000 0.466 303 R N 5.147 125.233 120.500 -0.689 0.000 2.508 303 R HA 0.253 4.596 4.340 0.005 0.000 0.283 303 R C -0.856 175.012 176.300 -0.719 0.000 1.120 303 R CA -0.528 55.281 56.100 -0.485 0.000 0.958 303 R CB 0.708 30.900 30.300 -0.180 0.000 1.215 303 R HN 0.829 nan 8.270 nan 0.000 0.427 304 N N 2.893 121.179 118.700 -0.691 0.000 2.714 304 N HA -0.225 4.518 4.740 0.005 0.000 0.252 304 N C 0.635 175.886 175.510 -0.433 0.000 1.014 304 N CA 1.899 54.705 53.050 -0.406 0.000 0.735 304 N CB -1.033 37.416 38.487 -0.063 0.000 0.924 304 N HN 1.105 nan 8.380 nan 0.000 0.540 305 G N -1.689 106.543 108.800 -0.947 0.000 2.225 305 G HA2 -0.316 3.647 3.960 0.005 0.000 0.254 305 G HA3 -0.316 3.647 3.960 0.005 0.000 0.254 305 G C -0.289 174.381 174.900 -0.384 0.000 0.988 305 G CA 0.369 45.254 45.100 -0.358 0.000 0.625 305 G HN 0.401 nan 8.290 nan 0.000 0.527 306 E N 0.760 120.618 120.200 -0.570 0.000 2.167 306 E HA 0.527 4.880 4.350 0.005 0.000 0.284 306 E C 0.169 176.653 176.600 -0.192 0.000 1.016 306 E CA -0.412 55.832 56.400 -0.261 0.000 0.817 306 E CB 1.057 30.656 29.700 -0.168 0.000 1.080 306 E HN 0.175 nan 8.360 nan 0.000 0.397 307 M N 2.735 122.376 119.600 0.069 0.000 2.061 307 M HA 0.220 4.703 4.480 0.005 0.000 0.346 307 M C -0.290 176.206 176.300 0.327 0.000 1.112 307 M CA -0.471 54.974 55.300 0.241 0.000 1.021 307 M CB 0.403 33.125 32.600 0.204 0.000 1.530 307 M HN 0.257 nan 8.290 nan 0.000 0.437 308 K N 4.143 124.750 120.400 0.345 0.000 2.323 308 K HA 0.471 4.794 4.320 0.005 0.000 0.259 308 K C -0.867 175.874 176.600 0.234 0.000 0.947 308 K CA -0.463 56.001 56.287 0.297 0.000 0.819 308 K CB 1.824 34.413 32.500 0.147 0.000 1.109 308 K HN 0.737 nan 8.250 nan 0.000 0.429 309 M N 5.811 125.430 119.600 0.031 0.000 2.146 309 M HA 0.086 4.568 4.480 0.005 0.000 0.352 309 M C -0.399 175.683 176.300 -0.363 0.000 1.343 309 M CA -0.166 54.745 55.300 -0.649 0.000 1.115 309 M CB 1.097 32.974 32.600 -1.205 0.000 1.657 309 M HN 0.609 nan 8.290 nan 0.000 0.471 310 V N 4.158 123.869 119.914 -0.338 0.000 3.125 310 V HA 0.208 4.331 4.120 0.005 0.000 0.249 310 V C 0.233 176.207 176.094 -0.200 0.000 1.113 310 V CA 0.577 62.766 62.300 -0.185 0.000 1.106 310 V CB -0.211 31.549 31.823 -0.104 0.000 0.768 310 V HN 0.935 nan 8.190 nan 0.000 0.468 311 N N -1.209 117.325 118.700 -0.276 0.000 2.745 311 N HA 0.436 5.178 4.740 0.005 0.000 0.256 311 N C -1.957 173.413 175.510 -0.232 0.000 1.268 311 N CA -0.493 52.430 53.050 -0.212 0.000 0.887 311 N CB 2.282 40.675 38.487 -0.158 0.000 1.575 311 N HN 0.075 nan 8.380 nan 0.000 0.496 312 Y N 1.510 121.638 120.300 -0.286 0.000 2.479 312 Y HA 0.451 5.004 4.550 0.005 0.000 0.338 312 Y C -1.565 174.233 175.900 -0.170 0.000 1.055 312 Y CA -0.293 57.646 58.100 -0.268 0.000 1.023 312 Y CB 1.284 39.533 38.460 -0.352 0.000 1.287 312 Y HN 0.625 nan 8.280 nan 0.000 0.447 313 Q N 5.184 124.340 119.800 -1.074 0.000 2.575 313 Q HA 0.576 4.919 4.340 0.005 0.000 0.290 313 Q C -2.327 173.247 176.000 -0.711 0.000 0.963 313 Q CA -1.194 54.240 55.803 -0.614 0.000 0.783 313 Q CB 2.643 31.205 28.738 -0.294 0.000 1.467 313 Q HN 0.741 nan 8.270 nan 0.000 0.402 314 L N 2.207 123.229 121.223 -0.335 0.000 2.287 314 L HA 0.538 4.881 4.340 0.005 0.000 0.287 314 L C -0.698 176.159 176.870 -0.021 0.000 1.022 314 L CA -0.816 53.874 54.840 -0.251 0.000 0.814 314 L CB 1.332 43.127 42.059 -0.440 0.000 1.217 314 L HN 0.573 nan 8.230 nan 0.000 0.420 315 I N 5.623 126.208 120.570 0.024 0.000 2.307 315 I HA 0.280 4.453 4.170 0.005 0.000 0.289 315 I C -2.136 174.092 176.117 0.185 0.000 1.021 315 I CA -1.969 59.374 61.300 0.073 0.000 1.224 315 I CB 1.376 39.367 38.000 -0.014 0.000 1.376 315 I HN 0.272 nan 8.210 nan 0.000 0.470 316 P HA 0.031 nan 4.420 nan 0.000 0.269 316 P C -0.522 176.782 177.300 0.006 0.000 1.209 316 P CA -0.137 62.990 63.100 0.046 0.000 0.776 316 P CB 0.694 32.412 31.700 0.029 0.000 0.876 317 V N 4.254 124.146 119.914 -0.036 0.000 2.240 317 V HA 0.169 4.292 4.120 0.005 0.000 0.265 317 V C 0.237 176.341 176.094 0.016 0.000 1.073 317 V CA -0.408 61.899 62.300 0.012 0.000 0.857 317 V CB -0.765 31.087 31.823 0.048 0.000 1.114 317 V HN 0.666 nan 8.190 nan 0.000 0.469 318 N N 2.150 120.856 118.700 0.011 0.000 2.735 318 N HA -0.171 4.572 4.740 0.005 0.000 0.248 318 N C -0.180 175.342 175.510 0.020 0.000 1.083 318 N CA 0.640 53.693 53.050 0.004 0.000 0.703 318 N CB -0.862 37.606 38.487 -0.032 0.000 1.005 318 N HN 0.584 nan 8.380 nan 0.000 0.550 319 L N 0.002 121.264 121.223 0.064 0.000 2.417 319 L HA 0.217 4.560 4.340 0.005 0.000 0.268 319 L C 0.912 177.904 176.870 0.203 0.000 1.158 319 L CA 0.312 55.229 54.840 0.128 0.000 0.819 319 L CB 0.598 42.711 42.059 0.090 0.000 1.112 319 L HN -0.037 nan 8.230 nan 0.000 0.458 320 K N 2.308 122.777 120.400 0.115 0.000 2.371 320 K HA 0.381 4.704 4.320 0.005 0.000 0.251 320 K C -0.980 175.503 176.600 -0.196 0.000 0.934 320 K CA -0.938 55.282 56.287 -0.111 0.000 0.798 320 K CB 2.608 35.039 32.500 -0.115 0.000 1.204 320 K HN 0.333 nan 8.250 nan 0.000 0.427 321 K N 2.905 122.963 120.400 -0.571 0.000 2.227 321 K HA 0.103 4.426 4.320 0.005 0.000 0.280 321 K C -0.228 176.211 176.600 -0.268 0.000 1.041 321 K CA -0.280 55.741 56.287 -0.444 0.000 0.905 321 K CB 0.754 32.848 32.500 -0.676 0.000 1.068 321 K HN 0.462 nan 8.250 nan 0.000 0.470 333 V N -1.468 118.319 119.914 -0.212 0.000 2.735 333 V HA 0.646 4.769 4.120 0.005 0.000 0.310 333 V C 0.252 176.195 176.094 -0.251 0.000 1.061 333 V CA -1.266 60.919 62.300 -0.191 0.000 0.913 333 V CB 2.480 34.195 31.823 -0.180 0.000 1.005 333 V HN 0.032 nan 8.190 nan 0.000 0.428 334 L N 3.416 124.543 121.223 -0.160 0.000 2.455 334 L HA 0.223 4.566 4.340 0.005 0.000 0.272 334 L C 0.873 177.676 176.870 -0.111 0.000 1.174 334 L CA 0.071 54.842 54.840 -0.115 0.000 0.869 334 L CB 0.158 42.192 42.059 -0.042 0.000 1.130 334 L HN 0.764 nan 8.230 nan 0.000 0.474 335 Y N 0.790 121.070 120.300 -0.034 0.000 2.314 335 Y HA -0.095 4.458 4.550 0.004 0.000 0.293 335 Y C 1.579 177.466 175.900 -0.022 0.000 1.129 335 Y CA 0.836 58.918 58.100 -0.030 0.000 1.201 335 Y CB 0.010 38.454 38.460 -0.026 0.000 0.999 335 Y HN 0.715 nan 8.280 nan 0.000 0.541 336 T N -4.114 110.524 114.554 0.141 0.000 2.804 336 T HA 0.503 4.856 4.350 0.005 0.000 0.290 336 T C -2.917 171.805 174.700 0.036 0.000 1.099 336 T CA -2.428 59.717 62.100 0.075 0.000 1.011 336 T CB 1.510 70.421 68.868 0.073 0.000 1.291 336 T HN -0.416 nan 8.240 nan 0.000 0.523 337 P HA 0.205 nan 4.420 nan 0.000 0.265 337 P C -0.242 177.059 177.300 0.001 0.000 1.193 337 P CA -0.133 62.970 63.100 0.004 0.000 0.765 337 P CB 0.215 31.915 31.700 -0.000 0.000 0.823 338 E N 2.664 122.859 120.200 -0.008 0.000 2.452 338 E HA 0.054 4.407 4.350 0.005 0.000 0.261 338 E C -0.650 175.941 176.600 -0.016 0.000 0.987 338 E CA -0.024 56.367 56.400 -0.015 0.000 0.926 338 E CB 0.189 29.876 29.700 -0.023 0.000 0.934 338 E HN 0.327 nan 8.360 nan 0.000 0.452 339 I N 3.872 124.430 120.570 -0.019 0.000 2.362 339 I HA 0.302 4.475 4.170 0.005 0.000 0.289 339 I C 0.243 176.341 176.117 -0.031 0.000 0.994 339 I CA -0.677 60.611 61.300 -0.021 0.000 1.158 339 I CB 1.583 39.573 38.000 -0.016 0.000 1.315 339 I HN 0.563 nan 8.210 nan 0.000 0.451 340 A N 5.940 128.743 122.820 -0.029 0.000 2.425 340 A HA 0.229 4.552 4.320 0.005 0.000 0.242 340 A C 0.137 177.695 177.584 -0.043 0.000 1.077 340 A CA -0.228 51.787 52.037 -0.036 0.000 0.781 340 A CB 0.158 19.142 19.000 -0.027 0.000 1.020 340 A HN 0.730 nan 8.150 nan 0.000 0.494 341 E N 1.723 121.887 120.200 -0.060 0.000 2.223 341 E HA 0.019 4.371 4.350 0.005 0.000 0.282 341 E C -0.162 176.411 176.600 -0.045 0.000 1.046 341 E CA -0.424 55.932 56.400 -0.074 0.000 0.857 341 E CB 0.625 30.247 29.700 -0.130 0.000 1.055 341 E HN 0.674 nan 8.360 nan 0.000 0.409 342 N N 3.014 121.697 118.700 -0.029 0.000 2.411 342 N HA -0.127 4.615 4.740 0.005 0.000 0.261 342 N C 0.786 176.297 175.510 0.002 0.000 1.248 342 N CA 0.243 53.289 53.050 -0.007 0.000 0.885 342 N CB 1.083 39.573 38.487 0.004 0.000 1.062 342 N HN 0.457 nan 8.380 nan 0.000 0.471 343 Q N 3.216 123.022 119.800 0.009 0.000 2.079 343 Q HA -0.192 4.151 4.340 0.005 0.000 0.200 343 Q C 1.866 177.891 176.000 0.041 0.000 0.974 343 Q CA 1.789 57.606 55.803 0.023 0.000 0.840 343 Q CB -0.166 28.585 28.738 0.021 0.000 0.898 343 Q HN 0.783 nan 8.270 nan 0.000 0.430 344 Q N -0.954 118.869 119.800 0.039 0.000 2.096 344 Q HA -0.211 4.132 4.340 0.005 0.000 0.204 344 Q C 1.919 177.962 176.000 0.071 0.000 0.982 344 Q CA 1.926 57.759 55.803 0.051 0.000 0.850 344 Q CB -0.138 28.626 28.738 0.044 0.000 0.901 344 Q HN 0.463 nan 8.270 nan 0.000 0.422 345 M N -0.122 119.517 119.600 0.066 0.000 2.132 345 M HA -0.134 4.348 4.480 0.005 0.000 0.263 345 M C 1.572 177.953 176.300 0.135 0.000 1.065 345 M CA 1.282 56.637 55.300 0.092 0.000 1.122 345 M CB -0.132 32.510 32.600 0.069 0.000 1.365 345 M HN 0.246 nan 8.290 nan 0.000 0.411 346 I N -0.506 120.125 120.570 0.102 0.000 2.286 346 I HA -0.239 3.934 4.170 0.005 0.000 0.248 346 I C 2.185 178.437 176.117 0.225 0.000 1.115 346 I CA 1.287 62.684 61.300 0.161 0.000 1.392 346 I CB -1.653 36.396 38.000 0.081 0.000 1.065 346 I HN 0.282 nan 8.210 nan 0.000 0.418 347 S N 0.763 116.550 115.700 0.145 0.000 2.402 347 S HA -0.112 4.361 4.470 0.005 0.000 0.229 347 S C 1.923 176.604 174.600 0.134 0.000 1.021 347 S CA 0.766 59.040 58.200 0.123 0.000 0.974 347 S CB -0.267 62.981 63.200 0.079 0.000 0.800 347 S HN 0.349 nan 8.310 nan 0.000 0.484 348 L N 1.372 122.688 121.223 0.154 0.000 2.072 348 L HA 0.148 4.491 4.340 0.005 0.000 0.205 348 L C 1.773 178.813 176.870 0.282 0.000 1.079 348 L CA 1.623 56.569 54.840 0.176 0.000 0.752 348 L CB -0.323 41.823 42.059 0.144 0.000 0.906 348 L HN 0.251 nan 8.230 nan 0.000 0.436 349 L N -1.736 119.686 121.223 0.332 0.000 2.307 349 L HA 0.000 4.343 4.340 0.005 0.000 0.211 349 L C 2.409 179.540 176.870 0.435 0.000 1.099 349 L CA 0.506 55.615 54.840 0.448 0.000 0.816 349 L CB -0.546 41.881 42.059 0.613 0.000 0.952 349 L HN 0.138 nan 8.230 nan 0.000 0.455 350 S N 0.706 116.629 115.700 0.373 0.000 2.374 350 S HA -0.128 4.345 4.470 0.005 0.000 0.227 350 S C -0.473 174.113 174.600 -0.025 0.000 1.037 350 S CA 1.753 60.040 58.200 0.144 0.000 1.024 350 S CB -0.999 62.310 63.200 0.182 0.000 0.861 350 S HN 0.299 nan 8.310 nan 0.000 0.456 351 P HA -0.026 nan 4.420 nan 0.000 0.218 351 P C 0.867 178.004 177.300 -0.273 0.000 1.149 351 P CA 0.939 63.909 63.100 -0.217 0.000 0.817 351 P CB -0.083 31.407 31.700 -0.350 0.000 0.785 352 F N -0.524 119.338 119.950 -0.146 0.000 2.163 352 F HA -0.116 4.414 4.527 0.004 0.000 0.297 352 F C 2.675 178.399 175.800 -0.127 0.000 1.094 352 F CA 1.191 59.071 58.000 -0.201 0.000 1.290 352 F CB -1.129 37.626 39.000 -0.408 0.000 1.017 352 F HN -0.115 nan 8.300 nan 0.000 0.483 353 Q N 0.923 120.763 119.800 0.067 0.000 2.050 353 Q HA -0.177 4.166 4.340 0.005 0.000 0.202 353 Q C 1.849 177.727 176.000 -0.204 0.000 0.980 353 Q CA 1.946 57.665 55.803 -0.141 0.000 0.840 353 Q CB -0.420 27.797 28.738 -0.868 0.000 0.898 353 Q HN 0.202 nan 8.270 nan 0.000 0.424 354 N N 0.226 118.807 118.700 -0.199 0.000 2.120 354 N HA -0.153 4.590 4.740 0.005 0.000 0.188 354 N C 1.432 176.876 175.510 -0.111 0.000 1.024 354 N CA 1.415 54.372 53.050 -0.155 0.000 0.852 354 N CB -0.293 38.116 38.487 -0.130 0.000 1.003 354 N HN 0.351 nan 8.380 nan 0.000 0.424 355 K N 0.547 120.887 120.400 -0.100 0.000 2.097 355 K HA -0.042 4.281 4.320 0.005 0.000 0.205 355 K C 2.000 178.578 176.600 -0.037 0.000 1.050 355 K CA 1.300 57.542 56.287 -0.075 0.000 0.938 355 K CB -0.294 32.146 32.500 -0.100 0.000 0.718 355 K HN 0.143 nan 8.250 nan 0.000 0.442 356 G N 1.396 110.187 108.800 -0.015 0.000 2.402 356 G HA2 -0.208 3.755 3.960 0.005 0.000 0.216 356 G HA3 -0.208 3.755 3.960 0.005 0.000 0.216 356 G C 1.420 176.289 174.900 -0.053 0.000 1.162 356 G CA 0.426 45.527 45.100 0.002 0.000 0.777 356 G HN 0.141 nan 8.290 nan 0.000 0.539 357 K N 0.950 121.294 120.400 -0.092 0.000 2.057 357 K HA 0.038 4.361 4.320 0.005 0.000 0.207 357 K C 2.883 179.435 176.600 -0.080 0.000 1.049 357 K CA 1.199 57.417 56.287 -0.114 0.000 0.931 357 K CB -0.750 31.666 32.500 -0.140 0.000 0.714 357 K HN 0.258 nan 8.250 nan 0.000 0.440 358 A N 1.086 123.867 122.820 -0.065 0.000 1.972 358 A HA -0.209 4.114 4.320 0.005 0.000 0.219 358 A C 2.154 179.724 177.584 -0.024 0.000 1.169 358 A CA 1.728 53.739 52.037 -0.045 0.000 0.635 358 A CB -0.389 18.585 19.000 -0.045 0.000 0.810 358 A HN 0.325 nan 8.150 nan 0.000 0.446 359 Q N 0.045 119.837 119.800 -0.014 0.000 2.364 359 Q HA 0.016 4.359 4.340 0.005 0.000 0.207 359 Q C 1.572 177.596 176.000 0.040 0.000 0.970 359 Q CA 1.078 56.892 55.803 0.019 0.000 0.888 359 Q CB -0.647 28.114 28.738 0.038 0.000 0.951 359 Q HN 0.682 nan 8.270 nan 0.000 0.469 360 L N 0.265 121.489 121.223 0.002 0.000 2.265 360 L HA -0.115 4.228 4.340 0.005 0.000 0.215 360 L C 1.770 178.665 176.870 0.042 0.000 1.117 360 L CA 0.880 55.726 54.840 0.011 0.000 0.782 360 L CB -0.353 41.648 42.059 -0.097 0.000 0.914 360 L HN 0.233 nan 8.230 nan 0.000 0.441 361 E N -0.182 120.028 120.200 0.016 0.000 2.371 361 E HA 0.040 4.393 4.350 0.005 0.000 0.194 361 E C 0.659 177.274 176.600 0.025 0.000 1.012 361 E CA 0.155 56.564 56.400 0.015 0.000 0.860 361 E CB 0.164 29.863 29.700 -0.002 0.000 0.811 361 E HN 0.200 nan 8.360 nan 0.000 0.502 362 V N 2.556 122.491 119.914 0.034 0.000 2.715 362 V HA -0.031 4.092 4.120 0.005 0.000 0.299 362 V C 0.748 176.861 176.094 0.032 0.000 1.054 362 V CA -0.238 62.080 62.300 0.030 0.000 1.077 362 V CB 0.807 32.649 31.823 0.032 0.000 0.972 362 V HN 0.046 nan 8.190 nan 0.000 0.484 363 K N 4.444 124.855 120.400 0.018 0.000 2.447 363 K HA 0.090 4.412 4.320 0.005 0.000 0.281 363 K C 0.868 177.471 176.600 0.005 0.000 1.031 363 K CA 0.042 56.335 56.287 0.011 0.000 1.019 363 K CB 0.263 32.766 32.500 0.005 0.000 0.918 363 K HN 0.741 nan 8.250 nan 0.000 0.476 364 I N 0.604 121.171 120.570 -0.004 0.000 4.070 364 I HA 0.378 4.551 4.170 0.005 0.000 0.328 364 I C 0.638 176.734 176.117 -0.035 0.000 1.298 364 I CA -0.285 60.999 61.300 -0.027 0.000 1.173 364 I CB 0.731 38.694 38.000 -0.062 0.000 1.051 364 I HN 0.668 nan 8.210 nan 0.000 0.409 365 G N 1.604 110.389 108.800 -0.025 0.000 2.341 365 G HA2 0.499 4.462 3.960 0.005 0.000 0.299 365 G HA3 0.499 4.462 3.960 0.005 0.000 0.299 365 G C -1.973 172.920 174.900 -0.013 0.000 1.274 365 G CA -0.235 44.849 45.100 -0.026 0.000 0.853 365 G HN 0.469 nan 8.290 nan 0.000 0.493 366 E N -1.865 118.329 120.200 -0.009 0.000 2.407 366 E HA 0.642 4.995 4.350 0.005 0.000 0.279 366 E C -1.565 175.042 176.600 0.012 0.000 1.012 366 E CA -0.870 55.532 56.400 0.002 0.000 0.800 366 E CB 2.143 31.845 29.700 0.003 0.000 1.276 366 E HN 0.643 nan 8.360 nan 0.000 0.452 367 T N 0.239 114.804 114.554 0.019 0.000 2.900 367 T HA 0.284 4.637 4.350 0.005 0.000 0.295 367 T C -0.316 174.404 174.700 0.034 0.000 1.044 367 T CA -0.526 61.596 62.100 0.035 0.000 0.995 367 T CB 1.081 69.970 68.868 0.036 0.000 1.072 367 T HN 0.607 nan 8.240 nan 0.000 0.473 368 N N 1.914 120.641 118.700 0.044 0.000 2.314 368 N HA 0.308 5.051 4.740 0.005 0.000 0.200 368 N C 0.374 175.907 175.510 0.038 0.000 1.135 368 N CA -0.220 52.852 53.050 0.036 0.000 0.835 368 N CB 0.486 38.993 38.487 0.034 0.000 0.989 368 N HN 0.781 nan 8.380 nan 0.000 0.478 369 G N -0.524 108.304 108.800 0.045 0.000 2.673 369 G HA2 0.357 4.319 3.960 0.005 0.000 0.292 369 G HA3 0.357 4.319 3.960 0.005 0.000 0.292 369 G C -1.639 173.287 174.900 0.043 0.000 1.450 369 G CA -1.117 44.010 45.100 0.044 0.000 0.837 369 G HN 0.239 nan 8.290 nan 0.000 0.505 370 R N 0.405 120.927 120.500 0.037 0.000 2.522 370 R HA 0.265 4.607 4.340 0.005 0.000 0.284 370 R C -0.378 175.947 176.300 0.041 0.000 1.032 370 R CA -0.112 56.007 56.100 0.032 0.000 1.049 370 R CB 0.148 30.464 30.300 0.027 0.000 0.956 370 R HN 0.360 nan 8.270 nan 0.000 0.422 371 L N 4.239 125.482 121.223 0.033 0.000 2.255 371 L HA 0.189 4.532 4.340 0.005 0.000 0.289 371 L C -0.034 176.855 176.870 0.032 0.000 1.046 371 L CA -0.463 54.397 54.840 0.033 0.000 0.816 371 L CB 1.339 43.405 42.059 0.011 0.000 1.197 371 L HN 0.614 nan 8.230 nan 0.000 0.427 372 E N 2.366 122.594 120.200 0.045 0.000 2.104 372 E HA 0.233 4.586 4.350 0.005 0.000 0.278 372 E C 0.730 177.360 176.600 0.050 0.000 1.127 372 E CA 0.088 56.516 56.400 0.047 0.000 0.897 372 E CB 0.979 30.714 29.700 0.057 0.000 1.043 372 E HN 0.609 nan 8.360 nan 0.000 0.410 373 G N 3.807 112.630 108.800 0.039 0.000 3.695 373 G HA2 0.039 4.001 3.960 0.005 0.000 0.277 373 G HA3 0.039 4.001 3.960 0.005 0.000 0.277 373 G C -0.420 174.505 174.900 0.041 0.000 1.001 373 G CA -0.489 44.635 45.100 0.039 0.000 0.837 373 G HN 0.432 nan 8.290 nan 0.000 0.492 374 D N 0.525 120.950 120.400 0.041 0.000 2.424 374 D HA 0.100 4.743 4.640 0.005 0.000 0.244 374 D C 1.541 177.880 176.300 0.065 0.000 1.134 374 D CA -0.249 53.775 54.000 0.041 0.000 0.881 374 D CB 1.403 42.220 40.800 0.029 0.000 1.191 374 D HN 0.103 nan 8.370 nan 0.000 0.445 375 R N 1.883 122.423 120.500 0.067 0.000 2.113 375 R HA -0.220 4.123 4.340 0.005 0.000 0.244 375 R C 0.950 177.341 176.300 0.153 0.000 1.142 375 R CA 1.917 58.075 56.100 0.097 0.000 0.953 375 R CB -0.021 30.329 30.300 0.083 0.000 0.860 375 R HN 0.521 nan 8.270 nan 0.000 0.438 376 D N -0.540 119.933 120.400 0.121 0.000 2.352 376 D HA -0.086 4.557 4.640 0.005 0.000 0.232 376 D C 0.749 177.103 176.300 0.090 0.000 1.055 376 D CA 0.629 54.709 54.000 0.135 0.000 0.891 376 D CB 0.268 41.047 40.800 -0.034 0.000 0.897 376 D HN 0.172 nan 8.370 nan 0.000 0.529 377 K N 0.020 120.494 120.400 0.124 0.000 2.312 377 K HA 0.079 4.402 4.320 0.005 0.000 0.206 377 K C 2.226 178.931 176.600 0.174 0.000 1.121 377 K CA 1.063 57.417 56.287 0.111 0.000 0.923 377 K CB -0.656 31.884 32.500 0.065 0.000 1.162 377 K HN 0.188 nan 8.250 nan 0.000 0.478 378 V N 0.120 120.131 119.914 0.162 0.000 2.913 378 V HA -0.013 4.110 4.120 0.005 0.000 0.260 378 V C 1.522 177.749 176.094 0.221 0.000 1.098 378 V CA 1.209 63.621 62.300 0.186 0.000 1.121 378 V CB -0.673 31.236 31.823 0.145 0.000 0.714 378 V HN 0.132 nan 8.190 nan 0.000 0.487 379 R N -1.705 118.882 120.500 0.144 0.000 2.359 379 R HA 0.386 4.729 4.340 0.005 0.000 0.231 379 R C 0.997 176.907 176.300 -0.649 0.000 0.913 379 R CA 0.341 56.411 56.100 -0.048 0.000 1.075 379 R CB 0.114 30.371 30.300 -0.072 0.000 1.087 379 R HN 0.581 nan 8.270 nan 0.000 0.515 380 F N -0.772 118.852 119.950 -0.543 0.000 2.658 380 F HA 0.127 4.657 4.527 0.005 0.000 0.293 380 F C 0.658 175.982 175.800 -0.794 0.000 0.986 380 F CA -0.363 57.199 58.000 -0.732 0.000 1.182 380 F CB 0.827 39.638 39.000 -0.314 0.000 0.965 380 F HN -0.281 nan 8.300 nan 0.000 0.659 381 V N -2.504 117.343 119.914 -0.111 0.000 3.181 381 V HA 0.529 4.652 4.120 0.005 0.000 0.308 381 V C -0.883 175.454 176.094 0.404 0.000 1.214 381 V CA -1.266 61.149 62.300 0.193 0.000 1.053 381 V CB 1.373 33.300 31.823 0.175 0.000 1.069 381 V HN -0.161 nan 8.190 nan 0.000 0.441 382 Q N 2.084 122.147 119.800 0.438 0.000 2.337 382 Q HA 0.476 4.819 4.340 0.005 0.000 0.270 382 Q C 0.308 176.452 176.000 0.239 0.000 1.002 382 Q CA 0.548 56.561 55.803 0.350 0.000 0.888 382 Q CB 1.097 30.025 28.738 0.316 0.000 1.222 382 Q HN 1.164 nan 8.270 nan 0.000 0.400 383 T N -1.792 112.884 114.554 0.202 0.000 2.907 383 T HA 0.300 4.653 4.350 0.005 0.000 0.290 383 T C 0.971 175.758 174.700 0.145 0.000 1.066 383 T CA -0.726 61.467 62.100 0.155 0.000 1.012 383 T CB 0.828 69.774 68.868 0.130 0.000 1.184 383 T HN 0.486 nan 8.240 nan 0.000 0.522 384 N N 0.824 119.604 118.700 0.134 0.000 2.309 384 N HA -0.121 4.622 4.740 0.005 0.000 0.182 384 N C 1.529 177.095 175.510 0.094 0.000 1.018 384 N CA 1.227 54.370 53.050 0.156 0.000 0.876 384 N CB -0.761 37.829 38.487 0.171 0.000 0.972 384 N HN 0.598 nan 8.380 nan 0.000 0.434 385 M N 0.731 120.369 119.600 0.063 0.000 2.200 385 M HA 0.203 4.686 4.480 0.005 0.000 0.265 385 M C 1.923 178.236 176.300 0.021 0.000 1.066 385 M CA 1.437 56.747 55.300 0.016 0.000 1.127 385 M CB -0.807 31.808 32.600 0.024 0.000 1.379 385 M HN 0.197 nan 8.290 nan 0.000 0.420 386 G N 0.154 108.995 108.800 0.068 0.000 2.418 386 G HA2 -0.200 3.763 3.960 0.005 0.000 0.217 386 G HA3 -0.200 3.763 3.960 0.005 0.000 0.217 386 G C 1.653 176.599 174.900 0.075 0.000 1.158 386 G CA 0.578 45.724 45.100 0.078 0.000 0.771 386 G HN 0.346 nan 8.290 nan 0.000 0.545 387 R N -0.268 120.299 120.500 0.112 0.000 2.092 387 R HA 0.040 4.383 4.340 0.005 0.000 0.231 387 R C 2.462 178.811 176.300 0.080 0.000 1.119 387 R CA 0.767 56.961 56.100 0.156 0.000 0.970 387 R CB -1.061 29.396 30.300 0.262 0.000 0.864 387 R HN 0.456 nan 8.270 nan 0.000 0.440 388 L N 0.881 122.042 121.223 -0.104 0.000 2.027 388 L HA -0.039 4.304 4.340 0.005 0.000 0.206 388 L C 2.132 178.863 176.870 -0.232 0.000 1.074 388 L CA 1.492 56.091 54.840 -0.402 0.000 0.745 388 L CB -0.430 41.318 42.059 -0.519 0.000 0.898 388 L HN 0.019 nan 8.230 nan 0.000 0.433 389 I N -0.782 119.713 120.570 -0.125 0.000 2.163 389 I HA -0.340 3.833 4.170 0.005 0.000 0.243 389 I C 2.369 178.425 176.117 -0.102 0.000 1.085 389 I CA 1.551 62.795 61.300 -0.093 0.000 1.347 389 I CB -0.342 37.640 38.000 -0.031 0.000 1.044 389 I HN 0.274 nan 8.210 nan 0.000 0.408 390 L N 0.287 121.481 121.223 -0.048 0.000 2.141 390 L HA -0.158 4.185 4.340 0.005 0.000 0.209 390 L C 2.823 179.644 176.870 -0.081 0.000 1.094 390 L CA 1.066 55.892 54.840 -0.022 0.000 0.763 390 L CB -0.747 41.346 42.059 0.058 0.000 0.908 390 L HN 0.237 nan 8.230 nan 0.000 0.437 391 A N 0.286 123.029 122.820 -0.128 0.000 1.902 391 A HA -0.151 4.171 4.320 0.005 0.000 0.217 391 A C 2.561 179.788 177.584 -0.594 0.000 1.181 391 A CA 1.688 53.597 52.037 -0.214 0.000 0.623 391 A CB -0.602 18.361 19.000 -0.062 0.000 0.818 391 A HN 0.386 nan 8.150 nan 0.000 0.443 392 A N -0.665 121.674 122.820 -0.803 0.000 1.902 392 A HA -0.202 4.120 4.320 0.005 0.000 0.217 392 A C 2.127 179.518 177.584 -0.321 0.000 1.181 392 A CA 1.628 53.160 52.037 -0.842 0.000 0.623 392 A CB -0.547 18.190 19.000 -0.438 0.000 0.818 392 A HN 0.657 nan 8.150 nan 0.000 0.443 393 Q N -0.983 118.705 119.800 -0.186 0.000 2.119 393 Q HA -0.080 4.263 4.340 0.005 0.000 0.201 393 Q C 2.200 178.168 176.000 -0.054 0.000 0.972 393 Q CA 1.540 57.304 55.803 -0.065 0.000 0.847 393 Q CB -0.266 28.465 28.738 -0.011 0.000 0.903 393 Q HN 0.701 nan 8.270 nan 0.000 0.433 394 M N 0.342 119.896 119.600 -0.077 0.000 2.175 394 M HA -0.174 4.309 4.480 0.005 0.000 0.264 394 M C 1.688 177.959 176.300 -0.048 0.000 1.063 394 M CA 1.467 56.739 55.300 -0.047 0.000 1.119 394 M CB -0.275 32.316 32.600 -0.014 0.000 1.377 394 M HN 0.166 nan 8.290 nan 0.000 0.415 395 D N 0.289 120.646 120.400 -0.073 0.000 2.117 395 D HA -0.202 4.441 4.640 0.005 0.000 0.197 395 D C 1.996 178.288 176.300 -0.013 0.000 0.987 395 D CA 1.273 55.267 54.000 -0.010 0.000 0.829 395 D CB 0.083 40.919 40.800 0.060 0.000 0.961 395 D HN 0.018 nan 8.370 nan 0.000 0.460 396 R N -0.420 120.058 120.500 -0.037 0.000 2.115 396 R HA -0.021 4.322 4.340 0.005 0.000 0.226 396 R C 1.997 178.305 176.300 0.013 0.000 1.100 396 R CA 2.096 58.169 56.100 -0.045 0.000 0.980 396 R CB -0.825 29.423 30.300 -0.087 0.000 0.875 396 R HN 0.352 nan 8.270 nan 0.000 0.445 397 T N -4.411 110.146 114.554 0.005 0.000 3.044 397 T HA 0.250 4.603 4.350 0.005 0.000 0.250 397 T C 1.238 175.801 174.700 -0.229 0.000 1.081 397 T CA 0.282 62.349 62.100 -0.054 0.000 1.040 397 T CB 0.329 69.183 68.868 -0.023 0.000 0.962 397 T HN 0.338 nan 8.240 nan 0.000 0.506 398 G N 1.499 110.223 108.800 -0.127 0.000 2.147 398 G HA2 -0.014 3.949 3.960 0.005 0.000 0.244 398 G HA3 -0.014 3.949 3.960 0.005 0.000 0.244 398 G C 0.273 175.092 174.900 -0.134 0.000 1.005 398 G CA -0.048 44.979 45.100 -0.121 0.000 0.713 398 G HN 1.154 nan 8.290 nan 0.000 0.515 399 A N -0.487 122.260 122.820 -0.122 0.000 2.332 399 A HA 0.603 4.926 4.320 0.005 0.000 0.258 399 A C 1.175 178.777 177.584 0.030 0.000 1.087 399 A CA 0.576 52.564 52.037 -0.081 0.000 0.802 399 A CB 0.441 19.384 19.000 -0.095 0.000 1.042 399 A HN 0.189 nan 8.150 nan 0.000 0.489 400 D N -0.575 119.903 120.400 0.130 0.000 2.271 400 D HA 0.176 4.818 4.640 0.005 0.000 0.206 400 D C 0.035 176.565 176.300 0.383 0.000 0.967 400 D CA 1.396 55.557 54.000 0.268 0.000 0.867 400 D CB 0.098 41.144 40.800 0.410 0.000 0.960 400 D HN 0.537 nan 8.370 nan 0.000 0.509 401 F N -0.536 119.478 119.950 0.107 0.000 2.745 401 F HA 0.731 5.261 4.527 0.005 0.000 0.316 401 F C -1.703 174.178 175.800 0.134 0.000 1.155 401 F CA -1.693 56.377 58.000 0.117 0.000 0.937 401 F CB 1.228 40.298 39.000 0.116 0.000 1.361 401 F HN -0.151 nan 8.300 nan 0.000 0.472 402 A N 0.553 123.465 122.820 0.153 0.000 2.610 402 A HA 0.887 5.210 4.320 0.005 0.000 0.291 402 A C -1.531 176.187 177.584 0.224 0.000 1.086 402 A CA -0.240 51.813 52.037 0.025 0.000 0.677 402 A CB 1.386 20.410 19.000 0.039 0.000 1.278 402 A HN 2.385 nan 8.150 nan 0.000 0.414 403 V N -1.443 118.578 119.914 0.178 0.000 3.120 403 V HA 0.952 5.074 4.120 0.005 0.000 0.303 403 V C -0.789 175.390 176.094 0.142 0.000 1.238 403 V CA -0.362 62.057 62.300 0.198 0.000 1.008 403 V CB 1.634 33.661 31.823 0.341 0.000 1.064 403 V HN 2.105 nan 8.190 nan 0.000 0.434 404 M N 1.214 120.858 119.600 0.074 0.000 2.682 404 M HA 0.723 5.206 4.480 0.005 0.000 0.272 404 M C -0.989 175.315 176.300 0.006 0.000 1.232 404 M CA -0.459 54.868 55.300 0.046 0.000 0.849 404 M CB 1.964 34.592 32.600 0.048 0.000 1.695 404 M HN 0.531 nan 8.290 nan 0.000 0.481 405 S N 0.928 116.601 115.700 -0.045 0.000 2.548 405 S HA 0.361 4.833 4.470 0.005 0.000 0.277 405 S C 1.208 175.836 174.600 0.047 0.000 1.315 405 S CA 0.063 58.263 58.200 0.001 0.000 1.050 405 S CB 1.252 64.444 63.200 -0.014 0.000 0.918 405 S HN 0.914 nan 8.310 nan 0.000 0.497 406 G N 2.429 111.285 108.800 0.093 0.000 2.448 406 G HA2 -0.100 3.863 3.960 0.005 0.000 0.219 406 G HA3 -0.100 3.863 3.960 0.005 0.000 0.219 406 G C 1.334 176.295 174.900 0.102 0.000 1.127 406 G CA 0.565 45.744 45.100 0.132 0.000 0.766 406 G HN 0.796 nan 8.290 nan 0.000 0.552 407 G N 0.428 109.281 108.800 0.088 0.000 2.559 407 G HA2 0.152 4.115 3.960 0.005 0.000 0.216 407 G HA3 0.152 4.115 3.960 0.005 0.000 0.216 407 G C 1.491 176.432 174.900 0.067 0.000 1.126 407 G CA 1.019 46.163 45.100 0.072 0.000 0.778 407 G HN 0.536 nan 8.290 nan 0.000 0.543 408 G N 0.042 108.868 108.800 0.043 0.000 2.712 408 G HA2 0.206 4.169 3.960 0.005 0.000 0.212 408 G HA3 0.206 4.169 3.960 0.005 0.000 0.212 408 G C 0.553 175.480 174.900 0.044 0.000 1.142 408 G CA -0.304 44.827 45.100 0.051 0.000 0.789 408 G HN 0.402 nan 8.290 nan 0.000 0.535 409 I N 1.315 121.908 120.570 0.039 0.000 2.304 409 I HA 0.313 4.486 4.170 0.005 0.000 0.291 409 I C 0.592 176.709 176.117 0.001 0.000 1.018 409 I CA -0.698 60.612 61.300 0.016 0.000 1.260 409 I CB 1.613 39.637 38.000 0.040 0.000 1.390 409 I HN -0.053 nan 8.210 nan 0.000 0.475 410 R N 3.305 123.772 120.500 -0.054 0.000 2.397 410 R HA 0.367 4.710 4.340 0.005 0.000 0.241 410 R C -0.653 175.613 176.300 -0.056 0.000 0.914 410 R CA -0.157 55.897 56.100 -0.077 0.000 1.071 410 R CB -0.080 30.092 30.300 -0.214 0.000 1.116 410 R HN 0.618 nan 8.270 nan 0.000 0.524 411 D N -1.423 118.955 120.400 -0.036 0.000 2.694 411 D HA 0.252 4.894 4.640 0.005 0.000 0.260 411 D C -1.071 175.224 176.300 -0.007 0.000 1.250 411 D CA -0.212 53.775 54.000 -0.022 0.000 0.763 411 D CB 1.520 42.299 40.800 -0.035 0.000 1.311 411 D HN -0.223 nan 8.370 nan 0.000 0.420 412 S N -0.072 115.628 115.700 -0.001 0.000 2.745 412 S HA 0.731 5.203 4.470 0.005 0.000 0.292 412 S C -0.437 174.165 174.600 0.002 0.000 1.133 412 S CA -0.577 57.627 58.200 0.006 0.000 0.998 412 S CB 0.733 63.940 63.200 0.012 0.000 1.087 412 S HN 0.322 nan 8.310 nan 0.000 0.551 413 I N 1.706 122.279 120.570 0.006 0.000 2.478 413 I HA 0.270 4.443 4.170 0.005 0.000 0.287 413 I C -0.358 175.765 176.117 0.010 0.000 1.042 413 I CA -0.608 60.695 61.300 0.005 0.000 1.067 413 I CB 1.684 39.685 38.000 0.001 0.000 1.233 413 I HN 0.449 nan 8.210 nan 0.000 0.431 414 E N 3.853 124.058 120.200 0.009 0.000 2.408 414 E HA 0.290 4.643 4.350 0.005 0.000 0.259 414 E C 0.103 176.711 176.600 0.014 0.000 1.110 414 E CA -0.279 56.127 56.400 0.011 0.000 0.929 414 E CB 0.934 30.640 29.700 0.008 0.000 0.971 414 E HN 0.634 nan 8.360 nan 0.000 0.438 415 A N 0.898 123.728 122.820 0.016 0.000 2.540 415 A HA 0.454 4.777 4.320 0.005 0.000 0.239 415 A C 0.820 178.412 177.584 0.014 0.000 1.061 415 A CA 1.014 53.062 52.037 0.018 0.000 0.758 415 A CB -0.231 18.781 19.000 0.020 0.000 0.991 415 A HN 0.677 nan 8.150 nan 0.000 0.502 416 G N 1.833 110.641 108.800 0.014 0.000 2.250 416 G HA2 0.191 4.154 3.960 0.005 0.000 0.252 416 G HA3 0.191 4.154 3.960 0.005 0.000 0.252 416 G C -1.282 173.623 174.900 0.008 0.000 1.325 416 G CA -0.300 44.806 45.100 0.010 0.000 1.091 416 G HN 0.745 nan 8.290 nan 0.000 0.476 417 D N 0.406 120.810 120.400 0.006 0.000 2.372 417 D HA 0.584 5.227 4.640 0.005 0.000 0.243 417 D C 0.333 176.635 176.300 0.005 0.000 1.121 417 D CA 0.487 54.490 54.000 0.004 0.000 0.898 417 D CB 1.228 42.031 40.800 0.004 0.000 1.202 417 D HN 0.491 nan 8.370 nan 0.000 0.428 418 I N 0.863 121.434 120.570 0.003 0.000 2.465 418 I HA 0.200 4.373 4.170 0.005 0.000 0.291 418 I C 0.284 176.406 176.117 0.010 0.000 1.014 418 I CA -0.613 60.689 61.300 0.004 0.000 1.093 418 I CB 1.780 39.776 38.000 -0.006 0.000 1.267 418 I HN 0.279 nan 8.210 nan 0.000 0.431 419 S N 4.341 120.057 115.700 0.026 0.000 2.704 419 S HA 0.369 4.842 4.470 0.005 0.000 0.305 419 S C 0.569 175.232 174.600 0.106 0.000 1.107 419 S CA -0.523 57.709 58.200 0.054 0.000 0.993 419 S CB 1.492 64.722 63.200 0.050 0.000 1.110 419 S HN 0.579 nan 8.310 nan 0.000 0.534 420 Y N 1.330 121.622 120.300 -0.012 0.000 2.242 420 Y HA -0.000 4.553 4.550 0.005 0.000 0.291 420 Y C 2.420 178.307 175.900 -0.023 0.000 1.137 420 Y CA 1.595 59.687 58.100 -0.013 0.000 1.181 420 Y CB -0.538 37.915 38.460 -0.011 0.000 0.989 420 Y HN 0.912 nan 8.280 nan 0.000 0.527 421 K N 0.270 120.758 120.400 0.146 0.000 2.074 421 K HA -0.255 4.068 4.320 0.005 0.000 0.209 421 K C 1.747 178.374 176.600 0.044 0.000 1.048 421 K CA 2.093 58.404 56.287 0.040 0.000 0.926 421 K CB -0.326 32.178 32.500 0.006 0.000 0.713 421 K HN 0.483 nan 8.250 nan 0.000 0.444 422 N N -0.231 118.500 118.700 0.053 0.000 2.069 422 N HA -0.163 4.580 4.740 0.005 0.000 0.191 422 N C 1.749 177.280 175.510 0.036 0.000 1.031 422 N CA 1.365 54.433 53.050 0.029 0.000 0.852 422 N CB -0.019 38.481 38.487 0.023 0.000 1.018 422 N HN -0.040 nan 8.380 nan 0.000 0.423 423 V N 1.510 121.471 119.914 0.078 0.000 2.343 423 V HA -0.195 3.928 4.120 0.005 0.000 0.247 423 V C 2.073 178.215 176.094 0.080 0.000 1.051 423 V CA 1.436 63.784 62.300 0.079 0.000 1.036 423 V CB -0.510 31.370 31.823 0.095 0.000 0.654 423 V HN 0.314 nan 8.190 nan 0.000 0.451 424 L N -0.335 120.952 121.223 0.106 0.000 2.275 424 L HA -0.161 4.182 4.340 0.005 0.000 0.215 424 L C 2.462 179.301 176.870 -0.052 0.000 1.119 424 L CA 1.466 56.318 54.840 0.020 0.000 0.790 424 L CB -0.477 41.559 42.059 -0.038 0.000 0.919 424 L HN 0.300 nan 8.230 nan 0.000 0.443 425 K N -0.207 120.166 120.400 -0.046 0.000 2.186 425 K HA -0.067 4.255 4.320 0.005 0.000 0.202 425 K C 1.961 178.499 176.600 -0.103 0.000 1.052 425 K CA 0.648 56.887 56.287 -0.081 0.000 0.965 425 K CB 0.258 32.726 32.500 -0.053 0.000 0.746 425 K HN 0.070 nan 8.250 nan 0.000 0.457 426 V N 1.108 120.983 119.914 -0.065 0.000 2.427 426 V HA -0.134 3.989 4.120 0.005 0.000 0.248 426 V C 0.787 176.820 176.094 -0.102 0.000 1.051 426 V CA 1.317 63.578 62.300 -0.065 0.000 1.048 426 V CB -0.084 31.722 31.823 -0.030 0.000 0.666 426 V HN 0.334 nan 8.190 nan 0.000 0.456 427 Q N 0.194 119.938 119.800 -0.094 0.000 2.674 427 Q HA 0.274 4.617 4.340 0.005 0.000 0.249 427 Q C -2.136 173.778 176.000 -0.144 0.000 1.011 427 Q CA -1.275 54.467 55.803 -0.102 0.000 0.734 427 Q CB 1.733 30.465 28.738 -0.010 0.000 1.201 427 Q HN 0.379 nan 8.270 nan 0.000 0.498 428 P HA 0.113 nan 4.420 nan 0.000 0.264 428 P C 0.515 177.686 177.300 -0.215 0.000 1.259 428 P CA 0.148 63.051 63.100 -0.328 0.000 0.841 428 P CB 0.283 31.700 31.700 -0.471 0.000 1.232 429 F N 0.789 120.734 119.950 -0.008 0.000 2.789 429 F HA 0.372 4.902 4.527 0.005 0.000 0.300 429 F C 1.849 177.674 175.800 0.042 0.000 1.132 429 F CA 0.330 58.328 58.000 -0.002 0.000 1.404 429 F CB -1.149 37.814 39.000 -0.061 0.000 1.114 429 F HN 0.042 nan 8.300 nan 0.000 0.584 430 G N 1.163 110.086 108.800 0.205 0.000 2.198 430 G HA2 -0.336 3.627 3.960 0.005 0.000 0.260 430 G HA3 -0.336 3.627 3.960 0.005 0.000 0.260 430 G C 0.154 175.180 174.900 0.210 0.000 1.025 430 G CA 0.086 45.297 45.100 0.184 0.000 0.769 430 G HN 0.458 nan 8.290 nan 0.000 0.507 431 N N -1.236 117.585 118.700 0.203 0.000 2.415 431 N HA 0.416 5.159 4.740 0.005 0.000 0.248 431 N C 0.218 175.838 175.510 0.184 0.000 1.271 431 N CA -0.140 53.029 53.050 0.197 0.000 0.913 431 N CB 1.061 39.660 38.487 0.187 0.000 1.129 431 N HN 0.082 nan 8.380 nan 0.000 0.444 432 V N 1.676 121.699 119.914 0.182 0.000 2.483 432 V HA 0.225 4.348 4.120 0.005 0.000 0.295 432 V C 0.131 176.322 176.094 0.162 0.000 1.035 432 V CA -0.834 61.566 62.300 0.166 0.000 0.896 432 V CB 1.769 33.674 31.823 0.138 0.000 0.986 432 V HN 0.325 nan 8.190 nan 0.000 0.447 433 V N 5.749 125.772 119.914 0.182 0.000 2.555 433 V HA 0.425 4.548 4.120 0.005 0.000 0.286 433 V C 0.212 176.391 176.094 0.143 0.000 1.044 433 V CA 0.122 62.528 62.300 0.178 0.000 1.026 433 V CB 1.254 33.208 31.823 0.217 0.000 0.981 433 V HN 0.785 nan 8.190 nan 0.000 0.480 434 V N 3.517 123.492 119.914 0.102 0.000 3.141 434 V HA 0.907 5.030 4.120 0.005 0.000 0.312 434 V C -1.168 174.954 176.094 0.046 0.000 1.157 434 V CA -0.907 61.367 62.300 -0.044 0.000 1.041 434 V CB 2.159 33.912 31.823 -0.117 0.000 1.071 434 V HN 0.889 nan 8.190 nan 0.000 0.441 435 Y N -0.495 119.705 120.300 -0.166 0.000 2.597 435 Y HA 0.993 5.545 4.550 0.005 0.000 0.340 435 Y C -0.648 175.200 175.900 -0.086 0.000 1.097 435 Y CA -0.995 57.047 58.100 -0.098 0.000 1.037 435 Y CB 1.370 39.792 38.460 -0.064 0.000 1.305 435 Y HN 1.264 nan 8.280 nan 0.000 0.463 436 A N 1.698 124.663 122.820 0.241 0.000 2.422 436 A HA 0.587 4.910 4.320 0.005 0.000 0.302 436 A C -1.787 175.923 177.584 0.210 0.000 1.041 436 A CA -0.775 51.383 52.037 0.201 0.000 0.708 436 A CB 1.085 20.174 19.000 0.148 0.000 1.257 436 A HN 0.718 nan 8.150 nan 0.000 0.414 437 D N 3.111 123.640 120.400 0.215 0.000 2.274 437 D HA 0.560 5.202 4.640 0.005 0.000 0.239 437 D C 0.040 176.433 176.300 0.155 0.000 1.104 437 D CA 0.363 54.471 54.000 0.179 0.000 0.840 437 D CB 1.224 42.121 40.800 0.161 0.000 1.100 437 D HN 0.665 nan 8.370 nan 0.000 0.477 438 M N -0.581 119.132 119.600 0.189 0.000 2.631 438 M HA 0.488 4.971 4.480 0.005 0.000 0.288 438 M C -0.013 176.423 176.300 0.227 0.000 1.260 438 M CA -0.964 54.447 55.300 0.185 0.000 0.842 438 M CB 1.794 34.500 32.600 0.177 0.000 1.743 438 M HN 0.119 nan 8.290 nan 0.000 0.461 439 T N -1.299 113.363 114.554 0.180 0.000 2.828 439 T HA 0.399 4.752 4.350 0.005 0.000 0.290 439 T C 1.217 176.073 174.700 0.261 0.000 1.019 439 T CA -0.040 62.174 62.100 0.190 0.000 1.031 439 T CB 0.978 69.918 68.868 0.120 0.000 1.001 439 T HN 0.876 nan 8.240 nan 0.000 0.531 440 G N 0.718 109.704 108.800 0.310 0.000 2.442 440 G HA2 -0.258 3.705 3.960 0.005 0.000 0.219 440 G HA3 -0.258 3.705 3.960 0.005 0.000 0.219 440 G C 1.456 176.404 174.900 0.080 0.000 1.141 440 G CA 1.098 46.348 45.100 0.249 0.000 0.763 440 G HN 0.798 nan 8.290 nan 0.000 0.554 441 K N 0.998 121.449 120.400 0.085 0.000 2.097 441 K HA -0.033 4.290 4.320 0.005 0.000 0.206 441 K C 2.257 178.894 176.600 0.061 0.000 1.049 441 K CA 1.645 57.962 56.287 0.050 0.000 0.933 441 K CB -0.377 32.151 32.500 0.046 0.000 0.717 441 K HN 0.437 nan 8.250 nan 0.000 0.442 442 E N -0.412 119.844 120.200 0.094 0.000 2.150 442 E HA -0.109 4.244 4.350 0.005 0.000 0.193 442 E C 1.864 178.557 176.600 0.154 0.000 0.985 442 E CA 1.109 57.581 56.400 0.120 0.000 0.814 442 E CB 0.065 29.841 29.700 0.127 0.000 0.752 442 E HN 0.065 nan 8.360 nan 0.000 0.466 443 V N 1.317 121.305 119.914 0.123 0.000 2.358 443 V HA -0.251 3.872 4.120 0.005 0.000 0.246 443 V C 2.179 178.300 176.094 0.045 0.000 1.047 443 V CA 1.455 63.816 62.300 0.102 0.000 1.035 443 V CB -0.324 31.407 31.823 -0.153 0.000 0.658 443 V HN 0.268 nan 8.190 nan 0.000 0.452 444 I N 0.160 120.715 120.570 -0.025 0.000 2.179 444 I HA -0.245 3.928 4.170 0.005 0.000 0.242 444 I C 2.271 178.378 176.117 -0.018 0.000 1.088 444 I CA 1.710 62.975 61.300 -0.058 0.000 1.357 444 I CB -0.498 37.464 38.000 -0.064 0.000 1.051 444 I HN 0.320 nan 8.210 nan 0.000 0.409 445 D N -0.162 120.257 120.400 0.032 0.000 2.144 445 D HA -0.214 4.429 4.640 0.005 0.000 0.200 445 D C 1.914 178.249 176.300 0.059 0.000 0.978 445 D CA 1.296 55.315 54.000 0.032 0.000 0.833 445 D CB -0.349 40.483 40.800 0.052 0.000 0.961 445 D HN 0.357 nan 8.370 nan 0.000 0.470 446 Y N 1.320 121.637 120.300 0.028 0.000 2.133 446 Y HA -0.112 4.441 4.550 0.005 0.000 0.287 446 Y C 2.242 178.180 175.900 0.062 0.000 1.134 446 Y CA 1.313 59.451 58.100 0.063 0.000 1.133 446 Y CB -0.370 38.175 38.460 0.140 0.000 0.987 446 Y HN -0.122 nan 8.280 nan 0.000 0.502 447 L N -0.890 120.450 121.223 0.194 0.000 2.083 447 L HA -0.245 4.098 4.340 0.005 0.000 0.209 447 L C 2.306 179.116 176.870 -0.099 0.000 1.083 447 L CA 1.813 56.720 54.840 0.112 0.000 0.752 447 L CB -0.877 41.226 42.059 0.073 0.000 0.899 447 L HN 0.237 nan 8.230 nan 0.000 0.433 448 T N -0.167 114.298 114.554 -0.149 0.000 2.746 448 T HA -0.175 4.178 4.350 0.005 0.000 0.267 448 T C 1.989 176.597 174.700 -0.153 0.000 1.039 448 T CA 1.349 63.333 62.100 -0.194 0.000 1.142 448 T CB -0.187 68.589 68.868 -0.154 0.000 0.866 448 T HN 0.461 nan 8.240 nan 0.000 0.444 449 A N 0.818 123.536 122.820 -0.170 0.000 1.898 449 A HA -0.013 4.310 4.320 0.005 0.000 0.216 449 A C 2.566 179.992 177.584 -0.264 0.000 1.181 449 A CA 1.178 53.095 52.037 -0.201 0.000 0.620 449 A CB -0.930 17.932 19.000 -0.229 0.000 0.819 449 A HN 0.350 nan 8.150 nan 0.000 0.442 450 V N -0.107 119.585 119.914 -0.371 0.000 2.427 450 V HA -0.196 3.926 4.120 0.005 0.000 0.248 450 V C 2.887 178.932 176.094 -0.081 0.000 1.051 450 V CA 1.673 63.707 62.300 -0.444 0.000 1.048 450 V CB -0.994 30.529 31.823 -0.500 0.000 0.666 450 V HN 0.591 nan 8.190 nan 0.000 0.456 451 A N -0.900 121.995 122.820 0.126 0.000 2.216 451 A HA -0.147 4.176 4.320 0.005 0.000 0.214 451 A C 2.011 179.814 177.584 0.365 0.000 1.160 451 A CA 0.894 53.185 52.037 0.423 0.000 0.725 451 A CB -0.260 18.815 19.000 0.124 0.000 0.784 451 A HN 0.525 nan 8.150 nan 0.000 0.472 452 Q N -0.609 119.251 119.800 0.101 0.000 2.432 452 Q HA 0.118 4.460 4.340 0.005 0.000 0.205 452 Q C 0.195 176.206 176.000 0.019 0.000 0.945 452 Q CA 0.330 56.171 55.803 0.063 0.000 0.924 452 Q CB -0.249 28.483 28.738 -0.011 0.000 1.016 452 Q HN 0.519 nan 8.270 nan 0.000 0.503 453 M N 1.790 121.382 119.600 -0.014 0.000 2.227 453 M HA 0.113 4.595 4.480 0.005 0.000 0.349 453 M C 0.145 176.428 176.300 -0.028 0.000 1.443 453 M CA 0.277 55.558 55.300 -0.030 0.000 1.110 453 M CB -0.065 32.507 32.600 -0.048 0.000 1.773 453 M HN -0.144 nan 8.290 nan 0.000 0.463 454 K N 3.793 124.166 120.400 -0.044 0.000 2.168 454 K HA 0.400 4.722 4.320 0.005 0.000 0.258 454 K C -2.293 174.231 176.600 -0.128 0.000 1.010 454 K CA -1.454 54.770 56.287 -0.106 0.000 0.929 454 K CB -0.070 32.368 32.500 -0.103 0.000 0.998 454 K HN 0.315 nan 8.250 nan 0.000 0.479 455 P HA -0.061 nan 4.420 nan 0.000 0.271 455 P C -0.629 176.243 177.300 -0.713 0.000 1.244 455 P CA 0.389 63.076 63.100 -0.687 0.000 0.793 455 P CB 0.297 31.570 31.700 -0.711 0.000 0.984 456 D N -1.033 118.604 120.400 -1.273 0.000 2.835 456 D HA -0.130 4.513 4.640 0.005 0.000 0.230 456 D C -1.006 175.074 176.300 -0.367 0.000 1.130 456 D CA 1.389 54.816 54.000 -0.955 0.000 0.738 456 D CB -1.588 38.896 40.800 -0.526 0.000 1.090 456 D HN 0.408 nan 8.370 nan 0.000 0.433 457 S N -3.316 112.221 115.700 -0.271 0.000 2.550 457 S HA 0.676 5.149 4.470 0.005 0.000 0.270 457 S C 1.371 175.965 174.600 -0.010 0.000 1.145 457 S CA -0.271 57.878 58.200 -0.086 0.000 0.852 457 S CB 1.571 64.746 63.200 -0.042 0.000 1.119 457 S HN 0.193 nan 8.310 nan 0.000 0.465 458 G N 0.719 109.541 108.800 0.035 0.000 2.470 458 G HA2 0.123 4.086 3.960 0.005 0.000 0.220 458 G HA3 0.123 4.086 3.960 0.005 0.000 0.220 458 G C 1.234 176.206 174.900 0.120 0.000 1.121 458 G CA 0.714 45.858 45.100 0.074 0.000 0.766 458 G HN 1.333 nan 8.290 nan 0.000 0.553 459 A N -0.549 122.355 122.820 0.140 0.000 2.206 459 A HA 0.257 4.580 4.320 0.005 0.000 0.211 459 A C 0.915 178.631 177.584 0.221 0.000 1.158 459 A CA -0.402 51.775 52.037 0.233 0.000 0.761 459 A CB -0.417 18.720 19.000 0.229 0.000 0.801 459 A HN 0.395 nan 8.150 nan 0.000 0.473 460 Y N 2.652 122.960 120.300 0.013 0.000 2.721 460 Y HA 0.207 4.759 4.550 0.005 0.000 0.329 460 Y C -2.303 173.608 175.900 0.018 0.000 1.211 460 Y CA -2.171 55.895 58.100 -0.057 0.000 1.512 460 Y CB 0.437 38.796 38.460 -0.168 0.000 1.249 460 Y HN 0.151 nan 8.280 nan 0.000 0.549 461 P HA 0.083 nan 4.420 nan 0.000 0.284 461 P C -1.345 175.498 177.300 -0.761 0.000 1.253 461 P CA -0.346 62.388 63.100 -0.611 0.000 0.800 461 P CB 1.400 32.652 31.700 -0.746 0.000 0.961 462 Q N 2.385 121.944 119.800 -0.402 0.000 2.290 462 Q HA 0.461 4.804 4.340 0.005 0.000 0.259 462 Q C -0.653 175.219 176.000 -0.213 0.000 0.941 462 Q CA -0.306 55.402 55.803 -0.158 0.000 0.912 462 Q CB 1.084 29.834 28.738 0.020 0.000 1.244 462 Q HN 0.422 nan 8.270 nan 0.000 0.441 463 F N 0.375 120.416 119.950 0.152 0.000 2.556 463 F HA 0.777 5.307 4.527 0.005 0.000 0.327 463 F C 0.104 175.991 175.800 0.144 0.000 1.059 463 F CA -1.050 57.053 58.000 0.172 0.000 0.953 463 F CB 1.796 40.886 39.000 0.151 0.000 1.227 463 F HN 0.465 nan 8.300 nan 0.000 0.478 464 A N 1.474 124.528 122.820 0.389 0.000 2.422 464 A HA 0.641 4.964 4.320 0.005 0.000 0.302 464 A C -0.279 177.463 177.584 0.263 0.000 1.041 464 A CA -0.758 51.434 52.037 0.259 0.000 0.708 464 A CB 0.832 19.948 19.000 0.193 0.000 1.257 464 A HN 0.827 nan 8.150 nan 0.000 0.414 465 N N -0.854 117.949 118.700 0.173 0.000 2.800 465 N HA -0.142 4.600 4.740 0.005 0.000 0.250 465 N C -0.503 175.047 175.510 0.066 0.000 1.078 465 N CA 1.440 54.569 53.050 0.131 0.000 0.804 465 N CB -1.376 37.224 38.487 0.188 0.000 1.135 465 N HN 0.632 nan 8.380 nan 0.000 0.565 466 V N 0.340 120.265 119.914 0.020 0.000 2.495 466 V HA 0.752 4.875 4.120 0.005 0.000 0.298 466 V C 0.232 176.157 176.094 -0.283 0.000 1.031 466 V CA -0.462 61.753 62.300 -0.141 0.000 0.871 466 V CB 2.110 33.821 31.823 -0.186 0.000 0.988 466 V HN 0.342 nan 8.190 nan 0.000 0.432 467 S N 4.390 119.923 115.700 -0.277 0.000 2.549 467 S HA 0.997 5.470 4.470 0.005 0.000 0.280 467 S C -0.987 173.455 174.600 -0.264 0.000 1.109 467 S CA -0.660 57.326 58.200 -0.357 0.000 0.905 467 S CB 2.456 65.534 63.200 -0.202 0.000 1.081 467 S HN 1.308 nan 8.310 nan 0.000 0.477 468 F N -1.734 118.040 119.950 -0.293 0.000 2.944 468 F HA 0.698 5.228 4.527 0.005 0.000 0.324 468 F C -2.459 173.162 175.800 -0.298 0.000 1.151 468 F CA -1.366 56.458 58.000 -0.294 0.000 0.883 468 F CB 0.422 39.205 39.000 -0.361 0.000 1.341 468 F HN 0.468 nan 8.300 nan 0.000 0.456 469 V N 1.869 121.891 119.914 0.180 0.000 2.443 469 V HA 0.799 4.922 4.120 0.005 0.000 0.293 469 V C -0.076 176.043 176.094 0.041 0.000 1.021 469 V CA -0.493 61.851 62.300 0.074 0.000 0.848 469 V CB 1.077 32.904 31.823 0.008 0.000 0.998 469 V HN 1.207 nan 8.190 nan 0.000 0.424 470 A N 4.661 127.470 122.820 -0.019 0.000 2.328 470 A HA 0.834 5.157 4.320 0.005 0.000 0.284 470 A C -0.247 177.328 177.584 -0.016 0.000 1.160 470 A CA -0.325 51.614 52.037 -0.164 0.000 0.818 470 A CB 0.737 19.537 19.000 -0.333 0.000 1.087 470 A HN 0.715 nan 8.150 nan 0.000 0.504 471 K N 2.086 122.471 120.400 -0.025 0.000 2.553 471 K HA 0.384 4.707 4.320 0.005 0.000 0.250 471 K C -1.049 175.555 176.600 0.007 0.000 0.953 471 K CA -0.259 56.038 56.287 0.017 0.000 0.800 471 K CB 0.901 33.405 32.500 0.007 0.000 1.243 471 K HN 0.637 nan 8.250 nan 0.000 0.435 472 D N 3.721 124.140 120.400 0.032 0.000 2.708 472 D HA -0.205 4.438 4.640 0.005 0.000 0.236 472 D C 0.586 176.889 176.300 0.005 0.000 1.146 472 D CA 1.923 55.936 54.000 0.020 0.000 0.662 472 D CB -1.098 39.708 40.800 0.009 0.000 1.059 472 D HN 1.090 nan 8.370 nan 0.000 0.428 473 G N -0.269 108.539 108.800 0.012 0.000 2.184 473 G HA2 -0.379 3.584 3.960 0.005 0.000 0.264 473 G HA3 -0.379 3.584 3.960 0.005 0.000 0.264 473 G C 0.311 175.174 174.900 -0.062 0.000 0.975 473 G CA 1.087 46.180 45.100 -0.011 0.000 0.642 473 G HN 0.684 nan 8.290 nan 0.000 0.536 474 K N -0.270 120.082 120.400 -0.081 0.000 2.281 474 K HA 0.785 5.108 4.320 0.005 0.000 0.242 474 K C -0.203 176.275 176.600 -0.204 0.000 0.971 474 K CA -1.126 55.087 56.287 -0.123 0.000 0.834 474 K CB 0.893 33.343 32.500 -0.085 0.000 1.181 474 K HN 0.074 nan 8.250 nan 0.000 0.435 475 L N 3.531 124.596 121.223 -0.264 0.000 2.276 475 L HA 0.374 4.717 4.340 0.005 0.000 0.286 475 L C -0.597 176.148 176.870 -0.209 0.000 1.024 475 L CA -0.694 53.917 54.840 -0.383 0.000 0.826 475 L CB 1.396 43.101 42.059 -0.589 0.000 1.211 475 L HN 0.714 nan 8.230 nan 0.000 0.422 476 N N 1.673 120.293 118.700 -0.134 0.000 2.509 476 N HA 0.145 4.888 4.740 0.005 0.000 0.287 476 N C -0.168 175.315 175.510 -0.044 0.000 1.121 476 N CA -0.654 52.353 53.050 -0.073 0.000 0.977 476 N CB 0.834 39.292 38.487 -0.047 0.000 1.167 476 N HN 0.521 nan 8.380 nan 0.000 0.476 477 D N 0.835 121.208 120.400 -0.044 0.000 2.708 477 D HA -0.185 4.458 4.640 0.005 0.000 0.236 477 D C -0.932 175.345 176.300 -0.038 0.000 1.146 477 D CA 0.253 54.230 54.000 -0.038 0.000 0.662 477 D CB -0.703 40.079 40.800 -0.030 0.000 1.059 477 D HN 0.308 nan 8.370 nan 0.000 0.428 478 L N 0.471 121.660 121.223 -0.057 0.000 2.462 478 L HA 0.294 4.637 4.340 0.005 0.000 0.272 478 L C 0.141 176.951 176.870 -0.100 0.000 1.166 478 L CA 0.743 55.541 54.840 -0.069 0.000 0.880 478 L CB 0.381 42.360 42.059 -0.133 0.000 1.142 478 L HN 0.099 nan 8.230 nan 0.000 0.473 479 K N 5.899 126.231 120.400 -0.113 0.000 2.469 479 K HA 0.594 4.917 4.320 0.005 0.000 0.254 479 K C -1.491 175.004 176.600 -0.175 0.000 0.939 479 K CA -0.888 55.323 56.287 -0.126 0.000 0.812 479 K CB 2.231 34.682 32.500 -0.082 0.000 1.301 479 K HN 0.370 nan 8.250 nan 0.000 0.433 480 I N 2.617 123.084 120.570 -0.172 0.000 2.418 480 I HA 0.198 4.371 4.170 0.005 0.000 0.287 480 I C 0.068 176.173 176.117 -0.019 0.000 1.008 480 I CA -0.560 60.640 61.300 -0.168 0.000 1.104 480 I CB 1.250 39.071 38.000 -0.298 0.000 1.264 480 I HN 0.715 nan 8.210 nan 0.000 0.438 481 K N 4.366 124.775 120.400 0.014 0.000 3.077 481 K HA -0.239 4.084 4.320 0.005 0.000 0.264 481 K C 0.983 177.594 176.600 0.019 0.000 1.008 481 K CA 0.683 56.994 56.287 0.040 0.000 0.740 481 K CB -1.327 31.219 32.500 0.077 0.000 1.273 481 K HN 1.208 nan 8.250 nan 0.000 0.477 482 G N -0.378 108.417 108.800 -0.008 0.000 2.168 482 G HA2 -0.295 3.668 3.960 0.005 0.000 0.263 482 G HA3 -0.295 3.668 3.960 0.005 0.000 0.263 482 G C -0.276 174.619 174.900 -0.008 0.000 0.977 482 G CA 0.727 45.819 45.100 -0.012 0.000 0.659 482 G HN 0.368 nan 8.290 nan 0.000 0.533 483 E N 0.612 120.810 120.200 -0.003 0.000 2.222 483 E HA 0.436 4.789 4.350 0.005 0.000 0.267 483 E C -2.429 174.166 176.600 -0.009 0.000 0.884 483 E CA -2.007 54.398 56.400 0.009 0.000 0.764 483 E CB 2.385 32.110 29.700 0.042 0.000 1.169 483 E HN 0.165 nan 8.360 nan 0.000 0.413 484 P HA 0.007 nan 4.420 nan 0.000 0.269 484 P C 0.117 177.407 177.300 -0.017 0.000 1.209 484 P CA -0.211 62.872 63.100 -0.028 0.000 0.776 484 P CB 0.613 32.302 31.700 -0.018 0.000 0.876 485 V N 3.070 122.937 119.914 -0.078 0.000 2.572 485 V HA 0.017 4.140 4.120 0.005 0.000 0.291 485 V C 0.879 176.991 176.094 0.031 0.000 1.039 485 V CA 0.542 62.780 62.300 -0.102 0.000 1.055 485 V CB 0.144 31.811 31.823 -0.261 0.000 0.969 485 V HN 0.572 nan 8.190 nan 0.000 0.482 486 D N 6.645 127.157 120.400 0.188 0.000 2.373 486 D HA 0.328 4.971 4.640 0.005 0.000 0.227 486 D C -1.763 174.643 176.300 0.177 0.000 1.091 486 D CA -2.206 51.885 54.000 0.152 0.000 0.840 486 D CB 2.226 43.111 40.800 0.142 0.000 1.060 486 D HN 0.194 nan 8.370 nan 0.000 0.502 487 P HA -0.080 nan 4.420 nan 0.000 0.220 487 P C 0.670 178.029 177.300 0.097 0.000 1.144 487 P CA 0.874 64.030 63.100 0.093 0.000 0.800 487 P CB 0.332 32.060 31.700 0.048 0.000 0.772 488 A N -1.785 121.081 122.820 0.076 0.000 2.218 488 A HA 0.041 4.364 4.320 0.005 0.000 0.209 488 A C 1.043 178.644 177.584 0.028 0.000 1.168 488 A CA 0.540 52.605 52.037 0.046 0.000 0.804 488 A CB -0.455 18.561 19.000 0.027 0.000 0.834 488 A HN 0.147 nan 8.150 nan 0.000 0.482 489 K N -0.391 120.031 120.400 0.038 0.000 2.132 489 K HA 0.500 4.822 4.320 0.005 0.000 0.241 489 K C -0.717 175.799 176.600 -0.139 0.000 1.000 489 K CA -0.304 55.919 56.287 -0.107 0.000 0.911 489 K CB 1.001 33.354 32.500 -0.245 0.000 1.093 489 K HN 0.060 nan 8.250 nan 0.000 0.460 490 T N 1.312 115.695 114.554 -0.286 0.000 2.824 490 T HA 0.435 4.788 4.350 0.005 0.000 0.280 490 T C -1.204 173.267 174.700 -0.381 0.000 0.995 490 T CA -0.505 61.499 62.100 -0.161 0.000 1.009 490 T CB 0.286 69.111 68.868 -0.072 0.000 0.955 490 T HN 0.267 nan 8.240 nan 0.000 0.452 491 Y N 0.923 121.297 120.300 0.125 0.000 2.462 491 Y HA 0.584 5.137 4.550 0.005 0.000 0.346 491 Y C 0.299 176.316 175.900 0.195 0.000 0.976 491 Y CA -1.255 56.962 58.100 0.195 0.000 1.044 491 Y CB 1.761 40.404 38.460 0.306 0.000 1.230 491 Y HN 0.438 nan 8.280 nan 0.000 0.455 492 R N 3.655 124.326 120.500 0.285 0.000 2.338 492 R HA 0.617 4.960 4.340 0.005 0.000 0.317 492 R C -1.249 175.029 176.300 -0.037 0.000 0.968 492 R CA -0.529 55.636 56.100 0.108 0.000 0.849 492 R CB 0.911 31.189 30.300 -0.036 0.000 1.128 492 R HN 0.898 nan 8.270 nan 0.000 0.448 493 M N 4.029 123.500 119.600 -0.216 0.000 2.294 493 M HA 0.526 5.009 4.480 0.005 0.000 0.335 493 M C -1.297 174.849 176.300 -0.257 0.000 1.079 493 M CA -0.517 54.385 55.300 -0.662 0.000 0.982 493 M CB 1.898 33.882 32.600 -1.026 0.000 1.651 493 M HN 0.801 nan 8.290 nan 0.000 0.437 494 A N 3.273 125.969 122.820 -0.207 0.000 2.312 494 A HA 0.865 5.188 4.320 0.005 0.000 0.328 494 A C -0.364 177.217 177.584 -0.005 0.000 1.158 494 A CA -0.363 51.659 52.037 -0.024 0.000 0.821 494 A CB 1.700 20.702 19.000 0.003 0.000 1.170 494 A HN 0.895 nan 8.150 nan 0.000 0.490 495 T N -0.021 114.573 114.554 0.067 0.000 2.661 495 T HA 0.474 4.827 4.350 0.005 0.000 0.305 495 T C -1.685 173.090 174.700 0.125 0.000 1.535 495 T CA -0.463 61.697 62.100 0.099 0.000 1.000 495 T CB 0.304 69.252 68.868 0.132 0.000 1.811 495 T HN 0.465 nan 8.240 nan 0.000 0.471 496 L N 3.293 124.602 121.223 0.143 0.000 2.334 496 L HA 0.477 4.820 4.340 0.005 0.000 0.270 496 L C 1.795 178.782 176.870 0.195 0.000 1.018 496 L CA -0.477 54.465 54.840 0.169 0.000 0.811 496 L CB 1.227 43.398 42.059 0.187 0.000 1.271 496 L HN 0.945 nan 8.230 nan 0.000 0.443 497 N N 1.162 119.985 118.700 0.205 0.000 2.149 497 N HA -0.280 4.463 4.740 0.005 0.000 0.188 497 N C 1.601 177.214 175.510 0.171 0.000 1.019 497 N CA 1.400 54.577 53.050 0.211 0.000 0.857 497 N CB -0.775 37.830 38.487 0.197 0.000 0.997 497 N HN 0.598 nan 8.380 nan 0.000 0.426 498 F N 1.866 121.846 119.950 0.050 0.000 2.091 498 F HA -0.198 4.332 4.527 0.005 0.000 0.299 498 F C 1.657 177.435 175.800 -0.036 0.000 1.103 498 F CA 1.952 59.951 58.000 -0.001 0.000 1.228 498 F CB -0.599 38.387 39.000 -0.023 0.000 0.984 498 F HN 0.035 nan 8.300 nan 0.000 0.477 499 N N 0.176 118.842 118.700 -0.058 0.000 2.207 499 N HA -0.015 4.727 4.740 0.005 0.000 0.182 499 N C 1.943 177.422 175.510 -0.051 0.000 1.020 499 N CA 1.113 54.024 53.050 -0.232 0.000 0.858 499 N CB -0.507 37.867 38.487 -0.190 0.000 0.991 499 N HN 0.372 nan 8.380 nan 0.000 0.427 500 A N 0.381 123.234 122.820 0.056 0.000 2.019 500 A HA -0.131 4.192 4.320 0.005 0.000 0.219 500 A C 1.984 179.533 177.584 -0.059 0.000 1.164 500 A CA 1.862 53.943 52.037 0.073 0.000 0.644 500 A CB -1.016 18.109 19.000 0.207 0.000 0.805 500 A HN 0.462 nan 8.150 nan 0.000 0.449 501 T N -4.708 109.790 114.554 -0.092 0.000 3.188 501 T HA 0.441 4.793 4.350 0.005 0.000 0.250 501 T C 1.164 175.779 174.700 -0.142 0.000 1.077 501 T CA 0.957 62.981 62.100 -0.126 0.000 0.967 501 T CB 0.157 68.969 68.868 -0.095 0.000 1.006 501 T HN 1.614 nan 8.240 nan 0.000 0.552 502 G N 0.392 109.105 108.800 -0.144 0.000 2.179 502 G HA2 -0.044 3.919 3.960 0.005 0.000 0.220 502 G HA3 -0.044 3.919 3.960 0.005 0.000 0.220 502 G C 0.460 175.203 174.900 -0.261 0.000 0.990 502 G CA -0.374 44.649 45.100 -0.128 0.000 0.646 502 G HN 0.976 nan 8.290 nan 0.000 0.517 503 G N -0.051 108.387 108.800 -0.604 0.000 2.414 503 G HA2 0.428 4.391 3.960 0.005 0.000 0.236 503 G HA3 0.428 4.391 3.960 0.005 0.000 0.236 503 G C 0.607 175.167 174.900 -0.566 0.000 1.293 503 G CA 0.961 45.362 45.100 -1.166 0.000 0.869 503 G HN 0.770 nan 8.290 nan 0.000 0.556 504 D N 0.174 120.449 120.400 -0.209 0.000 2.911 504 D HA -0.203 4.439 4.640 0.005 0.000 0.227 504 D C 1.630 178.043 176.300 0.188 0.000 1.164 504 D CA 2.507 56.560 54.000 0.088 0.000 0.782 504 D CB -1.245 39.655 40.800 0.166 0.000 1.094 504 D HN 1.742 nan 8.370 nan 0.000 0.425 505 G N -1.368 107.480 108.800 0.080 0.000 2.153 505 G HA2 -0.391 3.572 3.960 0.005 0.000 0.252 505 G HA3 -0.391 3.572 3.960 0.005 0.000 0.252 505 G C 0.222 175.198 174.900 0.127 0.000 0.994 505 G CA 0.429 45.577 45.100 0.080 0.000 0.698 505 G HN 0.422 nan 8.290 nan 0.000 0.521 506 Y N 0.560 120.806 120.300 -0.091 0.000 2.379 506 Y HA 0.419 4.972 4.550 0.005 0.000 0.337 506 Y C -1.472 174.399 175.900 -0.048 0.000 1.238 506 Y CA -1.987 56.065 58.100 -0.080 0.000 1.405 506 Y CB 0.210 38.653 38.460 -0.028 0.000 1.310 506 Y HN 0.011 nan 8.280 nan 0.000 0.569 507 P HA 0.116 nan 4.420 nan 0.000 0.268 507 P C -0.562 176.855 177.300 0.195 0.000 1.204 507 P CA -0.062 63.099 63.100 0.102 0.000 0.768 507 P CB 0.453 32.211 31.700 0.096 0.000 0.842 508 R N 2.536 123.086 120.500 0.084 0.000 2.537 508 R HA 0.169 4.512 4.340 0.005 0.000 0.280 508 R C 0.823 177.127 176.300 0.006 0.000 1.058 508 R CA 0.119 56.231 56.100 0.019 0.000 1.057 508 R CB 0.181 30.457 30.300 -0.040 0.000 0.973 508 R HN 0.563 nan 8.270 nan 0.000 0.438 509 L N 1.724 122.889 121.223 -0.097 0.000 2.840 509 L HA 0.019 4.362 4.340 0.005 0.000 0.249 509 L C 1.500 178.049 176.870 -0.533 0.000 1.119 509 L CA 0.005 54.748 54.840 -0.162 0.000 0.930 509 L CB 0.149 42.178 42.059 -0.051 0.000 1.295 509 L HN 0.705 nan 8.230 nan 0.000 0.534 510 D N 0.523 120.447 120.400 -0.793 0.000 2.264 510 D HA -0.176 4.467 4.640 0.005 0.000 0.208 510 D C 0.880 176.862 176.300 -0.530 0.000 0.966 510 D CA 0.990 54.236 54.000 -1.256 0.000 0.864 510 D CB -0.314 40.036 40.800 -0.750 0.000 0.933 510 D HN 0.425 nan 8.370 nan 0.000 0.499 511 N N 0.201 118.730 118.700 -0.286 0.000 2.273 511 N HA 0.025 4.768 4.740 0.005 0.000 0.231 511 N C -0.283 175.179 175.510 -0.079 0.000 1.134 511 N CA -0.276 52.695 53.050 -0.131 0.000 0.856 511 N CB 0.341 38.773 38.487 -0.092 0.000 1.068 511 N HN -0.082 nan 8.380 nan 0.000 0.510 512 K N 1.281 121.634 120.400 -0.080 0.000 2.208 512 K HA 0.514 4.837 4.320 0.005 0.000 0.247 512 K C -2.599 174.018 176.600 0.029 0.000 0.953 512 K CA -1.830 54.448 56.287 -0.015 0.000 0.837 512 K CB 1.557 34.057 32.500 0.001 0.000 1.131 512 K HN 0.057 nan 8.250 nan 0.000 0.431 513 P HA 0.109 nan 4.420 nan 0.000 0.272 513 P C 0.513 177.857 177.300 0.074 0.000 1.223 513 P CA 0.234 63.358 63.100 0.039 0.000 0.784 513 P CB 0.572 32.282 31.700 0.016 0.000 0.923 514 G N 0.378 109.226 108.800 0.079 0.000 2.175 514 G HA2 -0.264 3.699 3.960 0.005 0.000 0.244 514 G HA3 -0.264 3.699 3.960 0.005 0.000 0.244 514 G C -0.256 174.707 174.900 0.106 0.000 0.982 514 G CA -0.105 45.053 45.100 0.097 0.000 0.641 514 G HN 0.615 nan 8.290 nan 0.000 0.527 515 Y N 1.011 121.283 120.300 -0.046 0.000 2.319 515 Y HA 0.546 5.099 4.550 0.005 0.000 0.328 515 Y C -0.012 175.766 175.900 -0.205 0.000 1.133 515 Y CA -0.522 57.514 58.100 -0.107 0.000 1.265 515 Y CB 1.428 39.848 38.460 -0.068 0.000 1.218 515 Y HN 0.215 nan 8.280 nan 0.000 0.508 516 V N 7.045 126.327 119.914 -1.054 0.000 2.569 516 V HA 0.198 4.321 4.120 0.005 0.000 0.301 516 V C -0.735 174.725 176.094 -1.057 0.000 1.044 516 V CA -1.293 60.415 62.300 -0.986 0.000 0.874 516 V CB 1.646 32.774 31.823 -1.159 0.000 1.002 516 V HN 0.821 nan 8.190 nan 0.000 0.424 517 N N 2.813 121.114 118.700 -0.665 0.000 2.414 517 N HA 0.108 4.850 4.740 0.005 0.000 0.256 517 N C 1.164 176.552 175.510 -0.203 0.000 1.029 517 N CA 0.412 53.240 53.050 -0.370 0.000 0.948 517 N CB 2.097 40.501 38.487 -0.137 0.000 1.102 517 N HN 0.840 nan 8.380 nan 0.000 0.496 518 T N 0.661 115.149 114.554 -0.111 0.000 3.067 518 T HA 0.144 4.497 4.350 0.005 0.000 0.261 518 T C 1.309 175.910 174.700 -0.165 0.000 1.110 518 T CA 0.846 62.919 62.100 -0.044 0.000 1.113 518 T CB -0.223 68.767 68.868 0.205 0.000 0.917 518 T HN 0.659 nan 8.240 nan 0.000 0.499 519 G N 0.791 109.517 108.800 -0.123 0.000 2.179 519 G HA2 -0.204 3.759 3.960 0.005 0.000 0.260 519 G HA3 -0.204 3.759 3.960 0.005 0.000 0.260 519 G C -0.157 174.582 174.900 -0.268 0.000 0.977 519 G CA 0.006 44.955 45.100 -0.251 0.000 0.641 519 G HN 0.546 nan 8.290 nan 0.000 0.533 520 F N 1.543 121.563 119.950 0.118 0.000 2.410 520 F HA 0.567 5.097 4.527 0.005 0.000 0.348 520 F C 0.972 176.828 175.800 0.094 0.000 1.106 520 F CA -1.647 56.423 58.000 0.116 0.000 1.163 520 F CB 0.746 39.844 39.000 0.164 0.000 1.129 520 F HN -0.106 nan 8.300 nan 0.000 0.516 521 I N 4.048 124.786 120.570 0.279 0.000 2.529 521 I HA 0.002 4.175 4.170 0.005 0.000 0.284 521 I C 1.270 177.500 176.117 0.188 0.000 1.082 521 I CA -0.390 61.029 61.300 0.198 0.000 1.406 521 I CB 0.664 38.754 38.000 0.149 0.000 1.405 521 I HN 0.617 nan 8.210 nan 0.000 0.548 522 D N 5.698 126.194 120.400 0.159 0.000 2.133 522 D HA -0.264 4.379 4.640 0.005 0.000 0.192 522 D C 1.735 178.098 176.300 0.105 0.000 1.001 522 D CA 1.993 56.067 54.000 0.124 0.000 0.844 522 D CB -0.331 40.534 40.800 0.109 0.000 0.944 522 D HN 0.578 nan 8.370 nan 0.000 0.447 523 A N 0.379 123.273 122.820 0.125 0.000 1.933 523 A HA -0.224 4.099 4.320 0.005 0.000 0.218 523 A C 2.232 179.912 177.584 0.161 0.000 1.175 523 A CA 1.825 53.956 52.037 0.157 0.000 0.628 523 A CB -0.703 18.426 19.000 0.215 0.000 0.814 523 A HN 0.310 nan 8.150 nan 0.000 0.444 524 E N 0.282 120.596 120.200 0.191 0.000 2.072 524 E HA -0.122 4.231 4.350 0.005 0.000 0.191 524 E C 2.034 178.644 176.600 0.017 0.000 0.985 524 E CA 1.571 58.050 56.400 0.132 0.000 0.801 524 E CB -0.206 29.618 29.700 0.207 0.000 0.750 524 E HN 0.321 nan 8.360 nan 0.000 0.452 525 V N 1.641 121.583 119.914 0.046 0.000 2.343 525 V HA -0.255 3.868 4.120 0.005 0.000 0.247 525 V C 2.639 178.734 176.094 0.002 0.000 1.051 525 V CA 1.618 63.918 62.300 0.000 0.000 1.036 525 V CB -0.593 31.244 31.823 0.023 0.000 0.654 525 V HN 0.258 nan 8.190 nan 0.000 0.451 526 L N 0.460 121.684 121.223 0.002 0.000 2.027 526 L HA -0.125 4.218 4.340 0.005 0.000 0.206 526 L C 2.424 179.278 176.870 -0.027 0.000 1.074 526 L CA 2.060 56.901 54.840 0.001 0.000 0.745 526 L CB -0.934 41.121 42.059 -0.006 0.000 0.898 526 L HN 0.214 nan 8.230 nan 0.000 0.433 527 K N 0.106 120.421 120.400 -0.141 0.000 2.026 527 K HA -0.144 4.179 4.320 0.005 0.000 0.208 527 K C 1.905 178.383 176.600 -0.203 0.000 1.048 527 K CA 1.638 57.745 56.287 -0.300 0.000 0.929 527 K CB -0.391 31.602 32.500 -0.846 0.000 0.713 527 K HN 0.424 nan 8.250 nan 0.000 0.439 528 A N 0.225 122.958 122.820 -0.146 0.000 1.933 528 A HA -0.185 4.138 4.320 0.005 0.000 0.218 528 A C 2.166 179.737 177.584 -0.021 0.000 1.175 528 A CA 1.388 53.377 52.037 -0.079 0.000 0.628 528 A CB -0.816 18.153 19.000 -0.052 0.000 0.814 528 A HN 0.543 nan 8.150 nan 0.000 0.444 529 Y N 0.328 120.571 120.300 -0.096 0.000 2.163 529 Y HA -0.123 4.429 4.550 0.005 0.000 0.288 529 Y C 2.010 177.875 175.900 -0.058 0.000 1.136 529 Y CA 1.617 59.678 58.100 -0.065 0.000 1.147 529 Y CB -0.217 38.208 38.460 -0.059 0.000 0.987 529 Y HN 0.257 nan 8.280 nan 0.000 0.509 530 I N 0.125 120.681 120.570 -0.023 0.000 2.208 530 I HA -0.368 3.805 4.170 0.005 0.000 0.245 530 I C 2.554 178.591 176.117 -0.132 0.000 1.097 530 I CA 1.907 63.151 61.300 -0.093 0.000 1.363 530 I CB -0.465 37.506 38.000 -0.050 0.000 1.051 530 I HN 0.325 nan 8.210 nan 0.000 0.413 531 Q N 1.613 121.343 119.800 -0.117 0.000 2.084 531 Q HA -0.243 4.100 4.340 0.005 0.000 0.202 531 Q C 2.104 178.040 176.000 -0.107 0.000 0.978 531 Q CA 1.891 57.635 55.803 -0.099 0.000 0.844 531 Q CB 0.032 28.716 28.738 -0.089 0.000 0.898 531 Q HN 0.557 nan 8.270 nan 0.000 0.426 532 K N -1.478 118.838 120.400 -0.140 0.000 2.365 532 K HA 0.115 4.437 4.320 0.005 0.000 0.197 532 K C 1.505 177.997 176.600 -0.179 0.000 1.042 532 K CA 1.185 57.391 56.287 -0.135 0.000 0.987 532 K CB 0.301 32.730 32.500 -0.118 0.000 0.779 532 K HN -0.074 nan 8.250 nan 0.000 0.484 533 S N 0.665 116.202 115.700 -0.272 0.000 2.524 533 S HA 0.029 4.502 4.470 0.005 0.000 0.216 533 S C 0.591 175.116 174.600 -0.126 0.000 0.987 533 S CA -0.302 57.739 58.200 -0.265 0.000 0.909 533 S CB 0.340 63.241 63.200 -0.498 0.000 0.781 533 S HN 0.390 nan 8.310 nan 0.000 0.521 534 S N 2.757 118.397 115.700 -0.101 0.000 2.572 534 S HA 0.268 4.741 4.470 0.005 0.000 0.279 534 S C -2.625 171.954 174.600 -0.034 0.000 1.341 534 S CA -1.209 56.962 58.200 -0.050 0.000 1.043 534 S CB 0.081 63.254 63.200 -0.045 0.000 0.887 534 S HN 0.028 nan 8.310 nan 0.000 0.516 535 P HA 0.262 nan 4.420 nan 0.000 0.271 535 P C -1.046 176.264 177.300 0.016 0.000 1.220 535 P CA -0.198 62.902 63.100 -0.001 0.000 0.768 535 P CB 0.310 32.011 31.700 0.003 0.000 0.848 536 L N 2.855 124.101 121.223 0.038 0.000 2.305 536 L HA 0.250 4.593 4.340 0.005 0.000 0.281 536 L C 0.655 177.589 176.870 0.107 0.000 1.085 536 L CA -0.345 54.555 54.840 0.100 0.000 0.813 536 L CB 0.480 42.616 42.059 0.129 0.000 1.157 536 L HN 0.350 nan 8.230 nan 0.000 0.436 537 D N 2.603 123.069 120.400 0.111 0.000 2.428 537 D HA 0.135 4.778 4.640 0.005 0.000 0.221 537 D C 0.890 177.262 176.300 0.120 0.000 1.123 537 D CA -0.564 53.480 54.000 0.073 0.000 0.869 537 D CB 1.713 42.524 40.800 0.019 0.000 1.032 537 D HN 0.316 nan 8.370 nan 0.000 0.506 538 V N 2.207 122.217 119.914 0.161 0.000 3.078 538 V HA -0.140 3.983 4.120 0.005 0.000 0.265 538 V C 1.930 178.120 176.094 0.159 0.000 1.122 538 V CA 1.564 64.019 62.300 0.259 0.000 1.141 538 V CB -1.147 30.796 31.823 0.200 0.000 0.735 538 V HN 0.520 nan 8.190 nan 0.000 0.498 539 S N 0.196 115.930 115.700 0.058 0.000 2.442 539 S HA -0.116 4.357 4.470 0.005 0.000 0.236 539 S C 1.767 176.335 174.600 -0.053 0.000 1.007 539 S CA 1.436 59.646 58.200 0.017 0.000 0.965 539 S CB -0.665 62.538 63.200 0.005 0.000 0.773 539 S HN 0.470 nan 8.310 nan 0.000 0.504 540 V N 0.264 120.072 119.914 -0.177 0.000 2.759 540 V HA -0.065 4.058 4.120 0.005 0.000 0.256 540 V C 1.309 177.102 176.094 -0.501 0.000 1.080 540 V CA 1.296 63.367 62.300 -0.383 0.000 1.101 540 V CB -0.991 30.490 31.823 -0.570 0.000 0.698 540 V HN 0.633 nan 8.190 nan 0.000 0.477 541 Y N -0.594 119.744 120.300 0.063 0.000 2.507 541 Y HA 0.351 4.904 4.550 0.005 0.000 0.254 541 Y C 0.908 176.848 175.900 0.067 0.000 1.171 541 Y CA -0.959 57.184 58.100 0.071 0.000 1.238 541 Y CB -0.109 38.398 38.460 0.079 0.000 1.148 541 Y HN 0.294 nan 8.280 nan 0.000 0.525 542 E N 2.322 122.594 120.200 0.120 0.000 2.223 542 E HA 0.165 4.518 4.350 0.005 0.000 0.282 542 E C -2.369 174.284 176.600 0.088 0.000 1.046 542 E CA -1.989 54.474 56.400 0.105 0.000 0.857 542 E CB 0.504 30.247 29.700 0.070 0.000 1.055 542 E HN 0.041 nan 8.360 nan 0.000 0.409 543 P HA -0.007 nan 4.420 nan 0.000 0.268 543 P C -0.350 176.990 177.300 0.065 0.000 1.205 543 P CA 0.037 63.193 63.100 0.094 0.000 0.771 543 P CB 0.577 32.352 31.700 0.125 0.000 0.858 544 K N 2.023 122.449 120.400 0.043 0.000 3.084 544 K HA 0.289 4.612 4.320 0.005 0.000 0.210 544 K C 0.825 177.433 176.600 0.013 0.000 1.137 544 K CA -0.035 56.268 56.287 0.026 0.000 1.010 544 K CB 0.157 32.666 32.500 0.014 0.000 0.806 544 K HN 0.793 nan 8.250 nan 0.000 0.460 545 G N 1.532 110.346 108.800 0.023 0.000 2.153 545 G HA2 -0.334 3.629 3.960 0.005 0.000 0.252 545 G HA3 -0.334 3.629 3.960 0.005 0.000 0.252 545 G C 0.793 175.653 174.900 -0.067 0.000 0.994 545 G CA 0.765 45.866 45.100 0.002 0.000 0.698 545 G HN 0.375 nan 8.290 nan 0.000 0.521 546 E N -0.725 119.424 120.200 -0.085 0.000 2.097 546 E HA 0.055 4.408 4.350 0.005 0.000 0.196 546 E C 1.773 178.153 176.600 -0.367 0.000 1.000 546 E CA 1.640 57.937 56.400 -0.172 0.000 0.804 546 E CB -0.053 29.566 29.700 -0.135 0.000 0.740 546 E HN 1.303 nan 8.360 nan 0.000 0.454 547 V N -1.944 117.707 119.914 -0.440 0.000 2.715 547 V HA 0.788 4.911 4.120 0.005 0.000 0.310 547 V C -0.360 175.431 176.094 -0.505 0.000 1.054 547 V CA -0.637 61.116 62.300 -0.911 0.000 0.928 547 V CB 2.141 33.155 31.823 -1.348 0.000 1.007 547 V HN 0.088 nan 8.190 nan 0.000 0.437 548 S N 2.452 117.811 115.700 -0.568 0.000 2.570 548 S HA 0.730 5.203 4.470 0.005 0.000 0.270 548 S C -1.565 172.968 174.600 -0.111 0.000 1.149 548 S CA -0.736 57.403 58.200 -0.103 0.000 0.837 548 S CB 1.847 65.054 63.200 0.013 0.000 1.124 548 S HN 0.942 nan 8.310 nan 0.000 0.465 549 W N 1.914 123.329 121.300 0.192 0.000 2.656 549 W HA 0.582 5.245 4.660 0.005 0.000 0.327 549 W C -0.189 176.403 176.519 0.122 0.000 1.041 549 W CA -0.482 56.975 57.345 0.187 0.000 1.229 549 W CB 2.040 31.623 29.460 0.206 0.000 1.397 549 W HN 1.066 nan 8.180 nan 0.000 0.479 550 Q N 0.000 119.972 119.800 0.287 0.000 2.315 550 Q HA 0.000 4.343 4.340 0.005 0.000 0.214 550 Q CA 0.000 55.914 55.803 0.186 0.000 1.022 550 Q CB 0.000 28.818 28.738 0.133 0.000 1.108 550 Q HN 0.000 nan 8.270 nan 0.000 0.481