==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-JAN-10 3LK5 . COMPND 2 MOLECULE: GERANYLGERANYL PYROPHOSPHATE SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR V.N.MALASHKEVICH,R.TORO,Y.PATSKOVSKY,J.M.SAUDER,S.K.BURLEY,S . 333 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 270 81.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 6 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 66.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 3 0 0 0 0 0 2 1 0 2 1 2 0 0 0 1 0 1 0 1 0 1 0 0 1 0 1 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 9 A S 0 0 99 0, 0.0 2,-1.0 0, 0.0 79,-0.0 0.000 360.0 360.0 360.0 31.8 14.5 106.4 16.6 2 10 A S + 0 0 132 2,-0.0 2,-0.3 3,-0.0 0, 0.0 -0.657 360.0 127.6 -98.8 77.2 16.4 104.3 19.1 3 11 A F S S- 0 0 56 -2,-1.0 2,-0.6 13,-0.0 0, 0.0 -0.771 73.0 -78.3-117.9 167.5 15.2 100.8 18.1 4 12 A D > - 0 0 97 -2,-0.3 3,-0.6 1,-0.1 5,-0.2 -0.601 37.9-163.4 -73.6 115.5 17.3 97.7 17.2 5 13 A A T 3 S+ 0 0 34 -2,-0.6 -1,-0.1 1,-0.2 3,-0.0 0.359 85.5 45.0 -81.0 1.4 18.5 98.2 13.6 6 14 A H T 3 S+ 0 0 93 68,-0.0 2,-0.3 66,-0.0 -1,-0.2 0.390 103.4 70.8-123.9 -4.8 19.5 94.5 13.1 7 15 A D S < S- 0 0 44 -3,-0.6 2,-0.7 313,-0.1 314,-0.0 -0.887 73.7-127.6-121.5 151.3 16.4 92.8 14.5 8 16 A L - 0 0 2 -2,-0.3 2,-0.7 -3,-0.0 -3,-0.1 -0.847 22.0-176.0 -98.9 111.9 12.8 92.5 13.3 9 17 A D > - 0 0 57 -2,-0.7 4,-1.6 1,-0.2 3,-0.1 -0.884 2.7-173.2-111.1 100.4 10.3 93.5 16.0 10 18 A L T 4 S+ 0 0 14 -2,-0.7 -1,-0.2 1,-0.2 50,-0.0 0.877 79.9 48.2 -63.4 -42.4 6.8 92.9 14.5 11 19 A D T 4 S+ 0 0 127 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.842 117.8 36.4 -73.4 -33.9 4.8 94.5 17.3 12 20 A K T >> S+ 0 0 128 1,-0.2 3,-1.3 -3,-0.1 4,-1.1 0.628 93.3 85.6 -93.0 -18.1 6.7 97.8 17.6 13 21 A F H >X S+ 0 0 3 -4,-1.6 4,-2.1 1,-0.3 3,-0.6 0.886 81.3 61.4 -55.3 -40.6 7.5 98.5 14.0 14 22 A P H 3> S+ 0 0 36 0, 0.0 4,-2.5 0, 0.0 -1,-0.3 0.811 99.8 57.8 -57.0 -28.4 4.1 100.2 13.2 15 23 A E H <> S+ 0 0 125 -3,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.905 106.4 47.8 -64.2 -41.5 5.1 102.8 15.8 16 24 A V H X S+ 0 0 4 -4,-2.6 3,-1.0 1,-0.2 4,-0.5 0.903 109.6 53.9 -60.6 -43.4 3.2 115.1 6.7 26 34 A D H >< S+ 0 0 72 -4,-2.8 3,-1.3 1,-0.2 4,-0.4 0.894 104.0 57.0 -54.1 -42.5 4.4 117.8 9.0 27 35 A A H 3< S+ 0 0 70 -4,-1.7 4,-0.3 1,-0.3 -1,-0.2 0.684 102.2 54.7 -68.5 -19.8 6.9 118.9 6.3 28 36 A Q H S+ 0 0 137 -4,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.910 113.3 47.9 -59.8 -47.1 3.7 125.1 4.7 31 39 A T H > S+ 0 0 88 -4,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.905 113.8 47.2 -60.8 -43.3 3.5 124.3 0.9 32 40 A I H >X S+ 0 0 10 -4,-2.2 4,-1.9 1,-0.2 3,-0.9 0.914 111.3 51.5 -65.6 -42.4 -0.1 123.2 1.3 33 41 A A H 3< S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.858 100.8 61.5 -62.5 -38.2 -0.9 126.4 3.3 34 42 A D H 3< S+ 0 0 143 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.738 106.7 49.0 -58.3 -23.6 0.7 128.6 0.6 35 43 A I H << S- 0 0 120 -3,-0.9 2,-0.2 -4,-0.6 -2,-0.2 0.904 125.3 -73.8 -84.9 -47.9 -2.1 127.2 -1.7 36 44 A G >X - 0 0 19 -4,-1.9 4,-1.8 1,-0.1 3,-0.9 -0.751 31.7 -92.3 160.8 160.8 -5.0 127.8 0.6 37 45 A A H 3> S+ 0 0 71 1,-0.3 4,-2.8 -2,-0.2 5,-0.2 0.864 116.9 56.5 -58.8 -39.7 -7.0 126.9 3.7 38 46 A P H 3> S+ 0 0 97 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.819 107.2 51.1 -65.5 -25.2 -9.4 124.4 2.0 39 47 A V H <> S+ 0 0 41 -3,-0.9 4,-2.6 2,-0.2 5,-0.2 0.891 108.2 51.2 -74.8 -42.4 -6.4 122.5 0.8 40 48 A T H X S+ 0 0 57 -4,-1.8 4,-2.3 -8,-0.3 -1,-0.2 0.933 110.1 51.3 -52.3 -46.9 -5.0 122.4 4.3 41 49 A D H X S+ 0 0 97 -4,-2.8 4,-1.3 2,-0.2 -2,-0.2 0.904 110.9 46.8 -60.6 -44.2 -8.5 121.1 5.4 42 50 A A H X S+ 0 0 31 -4,-2.0 4,-1.6 1,-0.2 3,-0.3 0.936 113.2 47.7 -62.1 -43.9 -8.4 118.3 2.7 43 51 A V H X S+ 0 0 21 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.849 104.6 61.6 -70.3 -31.9 -4.9 117.2 3.6 44 52 A A H X S+ 0 0 46 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.887 105.5 48.2 -56.4 -40.7 -5.8 117.2 7.4 45 53 A H H X S+ 0 0 140 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.886 112.0 47.6 -67.6 -39.7 -8.4 114.5 6.5 46 54 A L H X S+ 0 0 6 -4,-1.6 4,-2.6 2,-0.2 5,-0.2 0.918 110.3 53.8 -66.0 -42.7 -5.8 112.6 4.5 47 55 A R H X S+ 0 0 63 -4,-3.2 4,-2.8 1,-0.2 5,-0.3 0.922 109.0 47.7 -56.4 -50.0 -3.3 113.0 7.5 48 56 A S H X S+ 0 0 58 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.901 112.4 50.0 -57.0 -43.2 -5.8 111.5 9.9 49 57 A F H < S+ 0 0 95 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.916 115.3 41.7 -64.2 -42.1 -6.6 108.6 7.6 50 58 A V H < S+ 0 0 5 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.889 122.6 38.3 -73.2 -44.0 -2.9 107.8 7.1 51 59 A L H < S+ 0 0 9 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.830 108.4 60.2 -77.5 -30.3 -1.8 108.2 10.7 52 60 A N S < S+ 0 0 112 -4,-2.3 2,-0.3 -5,-0.3 -1,-0.2 0.282 109.6 4.5 -99.9 11.8 -4.8 106.8 12.6 53 61 A G + 0 0 43 -3,-0.4 2,-0.1 -4,-0.3 3,-0.0 -0.957 66.2 108.6-174.1 174.3 -5.0 103.2 11.5 54 62 A G - 0 0 54 -2,-0.3 36,-0.0 1,-0.1 -4,-0.0 -0.096 55.9-120.7 120.5 138.0 -3.4 100.5 9.4 55 63 A K - 0 0 183 -2,-0.1 -1,-0.1 1,-0.0 5,-0.0 0.629 37.5-138.5 -79.2 -14.2 -1.5 97.4 10.3 56 64 A R > + 0 0 11 1,-0.1 4,-2.0 3,-0.1 5,-0.1 0.823 50.1 149.5 60.9 31.3 1.6 98.6 8.4 57 65 A I H > + 0 0 26 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.861 65.3 54.1 -64.4 -34.9 2.2 95.1 7.0 58 66 A R H > S+ 0 0 29 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.970 111.0 42.1 -71.3 -49.6 3.7 96.4 3.8 59 67 A P H > S+ 0 0 0 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.887 112.9 57.6 -60.1 -35.1 6.4 98.6 5.4 60 68 A L H X S+ 0 0 8 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.932 108.3 44.8 -60.4 -42.9 7.0 95.7 7.8 61 69 A Y H X S+ 0 0 0 -4,-2.4 4,-2.3 123,-0.2 -1,-0.2 0.880 111.2 52.9 -68.3 -38.4 7.7 93.4 4.9 62 70 A A H X S+ 0 0 3 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.931 111.3 47.4 -59.3 -45.7 10.0 95.9 3.2 63 71 A W H X S+ 0 0 1 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.919 110.9 50.9 -60.6 -43.1 11.9 96.2 6.4 64 72 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.867 108.6 52.4 -62.8 -40.0 12.1 92.5 6.8 65 73 A G H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.902 109.5 49.2 -61.6 -41.4 13.4 92.2 3.2 66 74 A F H X S+ 0 0 8 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.941 113.9 45.4 -60.6 -47.6 16.1 94.8 4.0 67 75 A L H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.891 109.5 55.2 -67.0 -40.0 17.1 92.9 7.2 68 76 A A H < S+ 0 0 4 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.873 118.3 34.8 -57.5 -38.2 17.1 89.5 5.4 69 77 A A H < S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.666 109.6 61.6 -87.4 -25.2 19.6 90.8 2.8 70 78 A Q H >< S+ 0 0 13 -4,-1.8 3,-1.3 -5,-0.2 -2,-0.2 0.761 85.0 178.2 -82.0 -20.4 21.6 93.1 5.0 71 79 A G T 3< - 0 0 22 -4,-1.3 -1,-0.2 1,-0.2 4,-0.1 -0.086 58.3 -29.1 57.2-152.8 22.6 90.0 7.0 72 80 A H T 3 S+ 0 0 167 2,-0.1 -1,-0.2 0, 0.0 2,-0.1 0.335 123.5 78.8 -77.3 8.0 25.0 90.3 10.0 73 81 A K S < S- 0 0 113 -3,-1.3 2,-0.6 -67,-0.0 -3,-0.0 -0.332 84.5 -91.0-109.6-172.2 26.6 93.3 8.3 74 82 A N - 0 0 131 -2,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.910 20.9-152.1-109.7 114.3 26.2 97.0 7.6 75 83 A S - 0 0 23 -2,-0.6 4,-0.1 -4,-0.1 121,-0.1 -0.573 22.1-133.2 -64.3 147.4 24.4 98.5 4.6 76 84 A S S S+ 0 0 122 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.433 73.2 106.8 -86.9 -0.7 25.9 102.0 4.0 77 85 A E S S- 0 0 26 118,-0.1 2,-0.2 1,-0.1 55,-0.1 -0.521 82.7-100.5 -75.1 147.2 22.4 103.6 3.6 78 86 A K >> - 0 0 127 53,-0.3 4,-1.9 -2,-0.2 3,-0.5 -0.445 25.0-131.2 -63.9 138.7 21.1 105.9 6.4 79 87 A L H 3> S+ 0 0 43 1,-0.3 4,-2.6 2,-0.2 5,-0.2 0.884 107.1 55.5 -59.1 -43.1 18.7 104.1 8.7 80 88 A E H 3> S+ 0 0 85 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.844 106.6 51.8 -58.2 -37.6 16.2 106.9 8.4 81 89 A S H <> S+ 0 0 0 -3,-0.5 4,-2.3 2,-0.2 51,-0.2 0.887 109.6 48.4 -69.1 -41.6 16.2 106.7 4.6 82 90 A V H X S+ 0 0 3 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.926 112.3 49.1 -61.5 -44.1 15.5 103.0 4.7 83 91 A L H X S+ 0 0 2 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.865 110.3 50.6 -66.4 -35.5 12.7 103.5 7.1 84 92 A D H X S+ 0 0 26 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.902 108.9 51.9 -68.4 -39.6 11.2 106.3 5.0 85 93 A A H X S+ 0 0 0 -4,-2.3 4,-0.5 2,-0.2 -2,-0.2 0.933 113.1 45.3 -58.6 -47.5 11.4 104.1 1.9 86 94 A A H >< S+ 0 0 2 -4,-2.6 3,-1.1 1,-0.2 4,-0.2 0.924 113.3 49.4 -58.4 -44.7 9.5 101.4 3.8 87 95 A A H >< S+ 0 0 0 -4,-2.6 3,-2.2 1,-0.2 4,-0.5 0.769 92.5 75.5 -69.2 -27.2 7.0 103.8 5.2 88 96 A S H >X S+ 0 0 0 -4,-2.0 3,-1.3 1,-0.3 4,-1.1 0.786 81.5 73.0 -58.1 -28.1 6.2 105.4 1.8 89 97 A L H S+ 0 0 12 -3,-2.2 4,-2.2 1,-0.2 -1,-0.3 0.812 97.2 53.8 -62.9 -30.9 1.5 103.5 3.4 91 99 A F H <> S+ 0 0 0 -3,-1.3 4,-2.2 -4,-0.5 -1,-0.2 0.872 106.9 50.3 -71.2 -35.4 0.8 106.3 1.0 92 100 A I H X S+ 0 0 7 -4,-1.1 4,-2.6 1,-0.2 -2,-0.2 0.950 113.4 47.1 -61.1 -47.0 0.3 103.9 -1.9 93 101 A Q H X S+ 0 0 34 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.853 107.5 55.4 -65.1 -37.0 -2.1 102.0 0.4 94 102 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.936 110.5 46.0 -59.1 -46.4 -3.9 105.1 1.4 95 103 A C H X S+ 0 0 10 -4,-2.2 4,-3.0 1,-0.2 5,-0.3 0.934 111.8 52.1 -60.4 -47.3 -4.6 105.9 -2.2 96 104 A A H X S+ 0 0 14 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.920 113.6 42.8 -54.6 -47.5 -5.7 102.3 -2.9 97 105 A L H X S+ 0 0 77 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.899 115.6 48.2 -69.2 -41.7 -8.2 102.4 0.1 98 106 A I H X S+ 0 0 19 -4,-2.5 4,-1.3 -5,-0.2 -2,-0.2 0.951 117.8 40.8 -64.7 -50.0 -9.5 105.9 -0.7 99 107 A H H X S+ 0 0 46 -4,-3.0 4,-2.2 -5,-0.2 -2,-0.2 0.890 114.0 52.5 -64.8 -40.5 -10.0 105.1 -4.4 100 108 A D H X S+ 0 0 28 -4,-2.7 4,-2.8 -5,-0.3 -1,-0.2 0.842 104.5 58.3 -63.3 -34.3 -11.4 101.5 -3.7 101 109 A D H < S+ 0 0 96 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.872 109.2 43.5 -60.0 -40.2 -13.9 103.1 -1.3 102 110 A I H >< S+ 0 0 39 -4,-1.3 3,-1.1 -3,-0.2 -2,-0.2 0.885 114.5 50.6 -71.0 -41.0 -15.2 105.3 -4.2 103 111 A I H 3< S+ 0 0 85 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.878 109.3 50.3 -62.7 -43.6 -15.2 102.2 -6.5 104 112 A D T 3< 0 0 62 -4,-2.8 -1,-0.2 -5,-0.1 -2,-0.2 0.068 360.0 360.0 -86.9 22.9 -17.1 100.0 -4.0 105 113 A S < 0 0 122 -3,-1.1 -2,-0.2 -5,-0.1 -3,-0.2 0.226 360.0 360.0-154.4 360.0 -19.8 102.7 -3.6 106 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 107 143 A F > 0 0 189 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 152.8 -18.3 116.3 -3.6 108 144 A G H > + 0 0 47 2,-0.2 4,-2.0 3,-0.2 5,-0.1 0.704 360.0 57.8 -71.8 -27.3 -16.7 114.0 -1.1 109 145 A V H > S+ 0 0 50 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.922 107.5 46.4 -66.2 -43.7 -16.2 111.8 -4.2 110 146 A S H > S+ 0 0 64 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.920 114.4 45.5 -63.4 -47.2 -14.2 114.7 -5.7 111 147 A V H X S+ 0 0 72 -4,-1.9 4,-2.7 1,-0.2 -1,-0.2 0.895 112.9 53.4 -63.1 -38.4 -12.2 115.4 -2.6 112 148 A S H X S+ 0 0 30 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.884 107.1 49.5 -64.7 -43.6 -11.6 111.6 -2.2 113 149 A I H X S+ 0 0 75 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.959 116.8 41.6 -60.5 -46.6 -10.3 111.2 -5.8 114 150 A L H X S+ 0 0 119 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.856 112.2 54.1 -74.0 -33.7 -7.8 114.1 -5.4 115 151 A A H X S+ 0 0 19 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.922 109.7 49.0 -63.9 -42.2 -6.8 113.1 -1.8 116 152 A G H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.904 110.0 51.2 -61.3 -41.3 -6.0 109.7 -3.1 117 153 A D H X S+ 0 0 69 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.907 108.1 52.0 -65.7 -39.7 -4.0 111.3 -5.9 118 154 A X H X S+ 0 0 56 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.913 108.4 51.8 -58.6 -43.7 -2.1 113.4 -3.4 119 155 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.898 109.4 50.6 -60.4 -40.9 -1.2 110.2 -1.4 120 156 A L H X S+ 0 0 51 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.921 111.2 45.8 -68.5 -41.9 0.1 108.6 -4.6 121 157 A V H X S+ 0 0 76 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.892 113.1 51.6 -66.0 -34.2 2.4 111.5 -5.5 122 158 A W H X S+ 0 0 13 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.807 102.4 58.9 -74.3 -30.0 3.6 111.7 -1.9 123 159 A A H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.943 110.5 44.2 -55.4 -47.9 4.4 108.0 -1.9 124 160 A E H X S+ 0 0 41 -4,-1.6 4,-2.9 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H > S+ 0 0 92 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.856 96.7 55.1 -50.4 -41.2 -29.5 74.1 -8.3 263 299 A E H > S+ 0 0 167 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.939 111.3 44.4 -57.2 -50.9 -31.9 75.9 -5.9 264 300 A A H > S+ 0 0 10 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.920 113.0 49.9 -60.2 -46.7 -28.9 76.7 -3.6 265 301 A A H X S+ 0 0 1 -4,-3.0 4,-2.6 -8,-0.4 -2,-0.2 0.931 112.6 49.0 -59.6 -41.9 -26.7 77.8 -6.6 266 302 A T H X S+ 0 0 89 -4,-2.8 4,-2.9 -5,-0.2 5,-0.2 0.925 109.5 50.8 -61.5 -48.4 -29.6 80.0 -7.8 267 303 A A H X S+ 0 0 33 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.885 112.1 47.4 -57.6 -43.2 -30.0 81.5 -4.3 268 304 A I H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.953 114.3 46.7 -62.4 -51.1 -26.2 82.3 -4.1 269 305 A R H < S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.901 115.6 45.3 -55.4 -43.7 -26.2 83.9 -7.6 270 306 A A H < S+ 0 0 58 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.800 118.4 43.5 -71.9 -29.4 -29.4 85.9 -6.9 271 307 A G H >X S+ 0 0 4 -4,-1.6 4,-2.4 -5,-0.2 3,-2.0 0.814 81.3 101.6 -92.0 -35.4 -28.1 87.1 -3.5 272 308 A V T 3< S- 0 0 6 -4,-2.4 -30,-0.2 1,-0.3 -31,-0.1 -0.336 101.2 -0.6 -65.4 127.7 -24.5 88.1 -3.8 273 309 A G T 34 S+ 0 0 39 -32,-2.8 -1,-0.3 2,-0.1 -31,-0.2 0.520 129.7 68.2 75.5 7.2 -23.9 91.9 -4.0 274 310 A K T <4 S+ 0 0 150 -3,-2.0 -2,-0.2 -33,-0.2 2,-0.1 0.608 77.7 80.4-127.1 -31.9 -27.6 92.4 -3.9 275 311 A V < + 0 0 25 -4,-2.4 -2,-0.1 -34,-0.2 -4,-0.0 -0.448 42.8 173.9 -81.9 161.6 -28.8 91.3 -0.4 276 312 A T + 0 0 115 -2,-0.1 -1,-0.1 -3,-0.0 -34,-0.1 0.617 44.7 92.7-134.9 -44.5 -28.5 93.6 2.7 277 313 A S S > S- 0 0 33 1,-0.1 4,-2.6 4,-0.0 5,-0.2 -0.313 74.0-125.3 -68.9 144.9 -30.2 92.1 5.8 278 314 A P H > S+ 0 0 98 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.899 112.9 53.6 -51.5 -43.2 -28.1 90.0 8.3 279 315 A E H > S+ 0 0 127 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.925 110.7 44.0 -58.8 -51.6 -30.7 87.2 7.8 280 316 A D H > S+ 0 0 83 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.869 114.0 51.4 -59.6 -42.7 -30.4 87.2 4.0 281 317 A I H X S+ 0 0 11 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.922 109.9 49.5 -60.7 -44.5 -26.6 87.4 4.2 282 318 A A H X S+ 0 0 47 -4,-2.5 4,-2.9 -5,-0.2 -2,-0.2 0.872 107.4 53.9 -63.8 -40.7 -26.5 84.4 6.6 283 319 A V H X S+ 0 0 83 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.923 111.5 44.8 -63.3 -43.6 -28.8 82.3 4.4 284 320 A I H X S+ 0 0 10 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.910 112.5 53.7 -63.6 -42.6 -26.4 82.8 1.4 285 321 A T H X S+ 0 0 9 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.914 107.9 48.4 -60.0 -45.0 -23.5 82.1 3.7 286 322 A E H X S+ 0 0 97 -4,-2.9 4,-2.4 2,-0.2 -1,-0.2 0.867 109.0 54.0 -64.7 -36.3 -24.9 78.8 4.9 287 323 A H H X S+ 0 0 62 -4,-1.9 4,-0.7 2,-0.2 -2,-0.2 0.937 109.8 48.7 -61.4 -44.5 -25.6 77.8 1.3 288 324 A I H ><>S+ 0 0 2 -4,-2.5 3,-1.2 1,-0.2 5,-0.7 0.944 111.0 49.2 -58.6 -50.1 -21.9 78.5 0.6 289 325 A R H ><5S+ 0 0 94 -4,-2.7 3,-1.7 1,-0.2 -1,-0.2 0.893 104.3 59.3 -55.4 -42.8 -20.7 76.5 3.6 290 326 A A H 3<5S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.700 94.3 67.3 -64.5 -17.9 -22.9 73.5 2.6 291 327 A T T <<5S- 0 0 4 -3,-1.2 -1,-0.3 -4,-0.7 -2,-0.2 0.710 105.4-123.7 -72.7 -20.2 -21.0 73.3 -0.7 292 328 A G T <>5S+ 0 0 17 -3,-1.7 4,-1.5 -4,-0.4 3,-0.2 0.426 76.8 123.3 87.0 -2.1 -17.7 72.2 0.9 293 329 A A H >< + 0 0 0 -5,-0.7 4,-2.4 1,-0.2 5,-0.2 0.850 63.5 62.6 -64.6 -34.5 -15.9 75.2 -0.7 294 330 A E H > S+ 0 0 29 -6,-0.3 4,-2.7 1,-0.2 -1,-0.2 0.941 104.8 46.7 -58.0 -47.5 -14.7 76.5 2.7 295 331 A E H > S+ 0 0 98 2,-0.2 4,-2.3 -6,-0.2 -1,-0.2 0.870 109.1 54.7 -61.1 -37.1 -12.7 73.4 3.4 296 332 A E H X S+ 0 0 49 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.920 110.5 46.1 -63.4 -40.9 -11.2 73.5 -0.2 297 333 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.938 110.4 53.1 -64.8 -42.9 -10.0 77.1 0.5 298 334 A E H X S+ 0 0 63 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.894 107.6 52.2 -58.9 -41.2 -8.6 76.1 3.9 299 335 A Q H X S+ 0 0 126 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.898 108.8 49.8 -60.6 -42.9 -6.7 73.2 2.2 300 336 A R H X S+ 0 0 62 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.916 109.9 51.3 -61.6 -41.6 -5.2 75.7 -0.3 301 337 A I H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.936 111.2 48.3 -61.2 -45.8 -4.2 78.1 2.6 302 338 A S H X S+ 0 0 77 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.928 113.0 46.9 -59.2 -48.3 -2.5 75.2 4.4 303 339 A Q H X S+ 0 0 132 -4,-2.4 4,-2.4 1,-0.2 -1,-0.2 0.908 115.1 45.7 -60.2 -49.2 -0.6 74.1 1.2 304 340 A L H X S+ 0 0 31 -4,-2.7 4,-2.6 2,-0.2 -1,-0.2 0.832 110.6 53.0 -66.1 -36.0 0.5 77.6 0.4 305 341 A T H X S+ 0 0 14 -4,-2.5 4,-2.5 -5,-0.2 5,-0.2 0.955 111.2 47.2 -65.4 -45.8 1.6 78.4 4.0 306 342 A E H X S+ 0 0 151 -4,-2.4 4,-1.9 -5,-0.2 -2,-0.2 0.925 115.9 43.1 -60.2 -46.3 3.8 75.2 4.0 307 343 A S H X S+ 0 0 44 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.902 112.4 53.3 -71.5 -37.7 5.4 75.9 0.6 308 344 A G H X S+ 0 0 0 -4,-2.6 4,-0.6 1,-0.2 3,-0.3 0.944 110.8 46.7 -60.9 -46.6 5.9 79.7 1.3 309 345 A L H >< S+ 0 0 16 -4,-2.5 3,-1.3 1,-0.2 4,-0.4 0.902 106.4 58.8 -61.3 -39.5 7.7 78.9 4.6 310 346 A A H >< S+ 0 0 47 -4,-1.9 3,-1.7 1,-0.3 4,-0.2 0.843 94.2 66.4 -60.3 -36.2 9.9 76.2 2.9 311 347 A H H >< S+ 0 0 40 -4,-1.6 3,-1.4 -3,-0.3 -1,-0.3 0.805 91.0 63.5 -54.4 -31.4 11.2 78.9 0.5 312 348 A L G X< S+ 0 0 0 -3,-1.3 3,-0.6 -4,-0.6 -1,-0.3 0.692 95.3 59.0 -67.1 -19.9 12.9 80.6 3.5 313 349 A D G < S+ 0 0 99 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.466 87.2 80.2 -85.1 -2.3 15.2 77.6 4.0 314 350 A D G < S+ 0 0 118 -3,-1.4 2,-0.3 -4,-0.2 -1,-0.2 0.527 100.1 23.8 -85.9 -8.1 16.5 77.9 0.5 315 351 A V S < S- 0 0 32 -3,-0.6 2,-0.5 -4,-0.1 -113,-0.0 -0.941 94.5 -86.8-147.9 164.2 19.0 80.6 1.2 316 352 A D + 0 0 130 -2,-0.3 -3,-0.1 -3,-0.0 -245,-0.0 -0.680 48.4 168.2 -81.2 125.9 20.9 81.9 4.3 317 353 A I - 0 0 0 -2,-0.5 -249,-0.1 -5,-0.1 -248,-0.1 -0.988 47.4 -91.1-132.6 139.5 18.9 84.5 6.3 318 354 A P > - 0 0 16 0, 0.0 4,-2.4 0, 0.0 3,-0.4 -0.241 41.7-118.3 -52.2 143.3 19.8 85.7 9.8 319 355 A D H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.851 111.1 48.9 -50.7 -47.2 18.1 83.4 12.4 320 356 A E H > S+ 0 0 66 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.837 111.2 49.4 -67.3 -36.9 16.0 86.1 14.0 321 357 A V H > S+ 0 0 1 -3,-0.4 4,-2.6 2,-0.2 5,-0.2 0.929 111.4 49.2 -67.8 -44.2 14.8 87.5 10.6 322 358 A R H X S+ 0 0 43 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.924 110.2 52.5 -57.3 -47.5 13.8 84.0 9.4 323 359 A A H X S+ 0 0 47 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.901 111.7 44.9 -56.0 -46.0 11.9 83.4 12.7 324 360 A Q H X S+ 0 0 42 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.857 109.6 54.0 -72.3 -34.2 10.0 86.6 12.3 325 361 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.907 111.0 48.5 -64.0 -37.0 9.2 86.0 8.6 326 362 A R H X S+ 0 0 98 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.953 112.7 47.2 -63.8 -47.6 7.7 82.6 9.7 327 363 A A H X S+ 0 0 22 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.892 110.6 51.9 -61.1 -42.0 5.7 84.2 12.5 328 364 A L H X S+ 0 0 10 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.886 110.5 48.8 -61.1 -39.3 4.4 86.9 10.2 329 365 A A H X S+ 0 0 0 -4,-1.9 4,-1.9 2,-0.2 5,-0.4 0.922 111.5 49.0 -66.1 -45.5 3.3 84.3 7.7 330 366 A I H X S+ 0 0 77 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.926 112.9 46.5 -64.9 -44.5 1.5 82.3 10.4 331 367 A R H < S+ 0 0 141 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.923 114.6 49.7 -56.8 -46.4 -0.3 85.4 11.7 332 368 A S H < S+ 0 0 16 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.797 130.9 13.9 -62.9 -34.5 -1.2 86.4 8.1 333 369 A T H < 0 0 0 -4,-1.9 -3,-0.2 1,-0.1 -2,-0.2 0.646 360.0 360.0-117.3 -23.9 -2.7 83.0 7.0 334 370 A E < 0 0 148 -4,-2.7 -1,-0.1 -5,-0.4 -2,-0.1 -0.200 360.0 360.0 34.8 360.0 -3.1 80.9 10.2