==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-JUN-11 3SK3 . COMPND 2 MOLECULE: ACETATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA SUBSP. ENTERICA SE . AUTHOR S.CHITTORI,H.S.SAVITHRI,M.R.N.MURTHY . 772 5 2 0 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30603.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 554 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 46 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 103 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 41 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 97 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 222 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.6 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 5 0 6 1 0 4 2 2 0 2 4 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 0 6 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 . 2 5 0 1 4 5 2 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 . 1 0 0 0 2 0 2 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 3 A S 0 0 91 0, 0.0 2,-0.5 0, 0.0 19,-0.1 0.000 360.0 360.0 360.0 111.7 43.7 -19.2 -1.4 2 4 A K - 0 0 58 2,-0.0 19,-2.8 81,-0.0 2,-0.2 -0.842 360.0-153.2-128.0 95.4 39.9 -18.5 -0.9 3 5 A L E -Ab 20 83A 0 79,-0.8 81,-3.2 -2,-0.5 82,-0.7 -0.470 12.1-173.4 -81.6 134.1 38.3 -20.8 1.7 4 6 A V E -Ab 19 85A 0 15,-2.1 15,-2.5 -2,-0.2 2,-0.7 -0.984 22.5-137.6-125.0 136.5 34.6 -21.6 1.5 5 7 A L E -Ab 18 86A 0 80,-2.5 82,-2.7 -2,-0.4 2,-0.5 -0.845 25.9-159.2 -87.0 118.4 32.5 -23.5 4.0 6 8 A V E -Ab 17 87A 5 11,-3.3 11,-1.8 -2,-0.7 2,-0.4 -0.903 10.5-173.5-106.1 124.4 30.2 -25.7 1.8 7 9 A L E -Ab 16 88A 1 80,-3.2 82,-2.5 -2,-0.5 2,-0.4 -0.916 20.0-177.5-121.2 140.5 27.0 -27.1 3.4 8 10 A N E -A 15 0A 40 7,-2.5 7,-2.9 -2,-0.4 2,-0.6 -0.900 19.0-168.3-132.7 104.1 24.4 -29.5 2.2 9 11 A C E +A 14 0A 2 80,-0.4 5,-0.2 -2,-0.4 2,-0.2 -0.852 8.1 176.9-102.7 121.1 21.7 -29.7 4.9 10 12 A G - 0 0 11 3,-2.8 111,-0.1 -2,-0.6 3,-0.1 -0.538 47.5 -92.9-106.6-178.7 19.0 -32.4 4.7 11 13 A S S S+ 0 0 43 109,-0.5 50,-0.1 1,-0.2 254,-0.1 0.847 123.7 18.5 -65.2 -32.4 16.2 -33.3 7.1 12 14 A S S S+ 0 0 21 48,-0.1 23,-2.0 22,-0.0 22,-0.3 0.315 127.4 33.6-123.3 10.2 18.3 -35.8 9.0 13 15 A S - 0 0 36 20,-0.2 -3,-2.8 21,-0.2 2,-0.3 -0.959 54.3-146.3-158.2 167.8 21.9 -34.9 8.1 14 16 A L E -AC 9 32A 0 18,-2.7 18,-2.6 -2,-0.3 2,-0.4 -0.926 11.7-160.4-146.2 114.7 24.4 -32.2 7.2 15 17 A K E +AC 8 31A 90 -7,-2.9 -7,-2.5 -2,-0.3 2,-0.3 -0.850 21.3 179.5 -94.9 137.4 27.3 -32.7 4.8 16 18 A F E +AC 7 30A 7 14,-2.0 14,-1.9 -2,-0.4 2,-0.3 -0.974 13.8 167.9-141.4 152.8 30.0 -30.1 5.2 17 19 A A E -AC 6 29A 2 -11,-1.8 -11,-3.3 -2,-0.3 2,-0.5 -0.993 27.5-138.9-156.5 156.7 33.4 -29.2 3.7 18 20 A I E +AC 5 28A 0 10,-2.3 9,-2.9 -2,-0.3 10,-1.1 -0.988 34.4 179.8-119.5 119.2 35.9 -26.4 3.7 19 21 A I E -AC 4 26A 6 -15,-2.5 -15,-2.1 -2,-0.5 2,-0.8 -0.969 33.4-125.7-127.1 133.1 37.3 -26.0 0.2 20 22 A D E > -A 3 0A 2 5,-3.3 4,-2.3 -2,-0.4 5,-0.3 -0.700 20.9-156.1 -75.9 112.8 39.9 -23.6 -1.4 21 23 A A T 4 S+ 0 0 12 -19,-2.8 -1,-0.2 -2,-0.8 -18,-0.1 0.679 86.7 57.2 -62.7 -23.2 37.9 -22.1 -4.2 22 24 A V T 4 S+ 0 0 93 -20,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.965 128.6 4.7 -74.3 -53.7 41.1 -21.2 -6.1 23 25 A N T 4 S- 0 0 93 2,-0.1 -2,-0.2 -21,-0.0 -1,-0.1 0.312 96.2-109.9-120.6 8.0 42.7 -24.7 -6.4 24 26 A G < + 0 0 21 -4,-2.3 -3,-0.1 1,-0.2 352,-0.1 0.516 56.9 162.1 77.4 3.8 40.1 -27.2 -5.0 25 27 A D - 0 0 74 -5,-0.3 -5,-3.3 -6,-0.1 2,-0.5 -0.326 31.3-140.4 -59.9 139.7 42.2 -28.0 -1.8 26 28 A E E +C 19 0A 110 -7,-0.2 -7,-0.2 1,-0.1 3,-0.1 -0.902 26.9 171.5-105.8 126.2 40.1 -29.6 0.9 27 29 A Y E S+ 0 0 81 -9,-2.9 20,-0.3 -2,-0.5 2,-0.3 0.635 72.3 6.1-102.9 -22.8 40.8 -28.6 4.5 28 30 A L E +C 18 0A 0 -10,-1.1 -10,-2.3 18,-0.1 -1,-0.4 -0.964 59.5 173.8-157.3 140.4 37.8 -30.4 6.1 29 31 A S E +CD 17 45A 29 16,-1.6 16,-2.9 -2,-0.3 2,-0.3 -0.981 19.0 132.1-144.8 153.5 35.1 -32.8 5.1 30 32 A G E -CD 16 44A 15 -14,-1.9 -14,-2.0 -2,-0.3 2,-0.4 -0.993 37.8-125.5-178.1-177.8 32.5 -34.6 7.0 31 33 A L E -CD 15 43A 51 12,-2.4 12,-2.6 -2,-0.3 2,-0.4 -0.980 9.0-160.5-151.8 128.5 28.9 -35.7 7.6 32 34 A A E +CD 14 42A 0 -18,-2.6 -18,-2.7 -2,-0.4 2,-0.2 -0.945 32.0 156.7-107.5 138.6 26.6 -35.3 10.6 33 35 A E E + D 0 41A 44 8,-2.2 8,-2.1 -2,-0.4 -20,-0.2 -0.842 34.2 62.3-153.2-175.0 23.7 -37.7 10.6 34 36 A a > - 0 0 1 -22,-0.3 3,-1.1 -2,-0.2 6,-0.3 0.863 68.2-175.6 50.4 44.9 21.0 -39.6 12.5 35 37 A F T 3 + 0 0 3 -23,-2.0 25,-0.2 1,-0.2 -1,-0.1 -0.304 62.0 20.5 -66.7 152.6 19.5 -36.3 13.6 36 38 A H T 3 S+ 0 0 76 23,-2.5 -1,-0.2 1,-0.2 24,-0.1 0.654 109.7 103.0 63.5 15.1 16.6 -36.3 16.1 37 39 A L S X S- 0 0 11 -3,-1.1 21,-2.2 22,-0.5 3,-1.7 -0.866 87.1-112.1-125.3 161.5 17.7 -39.8 17.0 38 40 A P T 3 S+ 0 0 80 0, 0.0 18,-0.2 0, 0.0 21,-0.1 0.887 115.9 54.6 -56.3 -34.8 19.5 -41.2 20.0 39 41 A E T 3 S+ 0 0 59 18,-0.1 -6,-0.1 -4,-0.1 -4,-0.1 0.201 71.6 153.1 -90.3 13.9 22.5 -42.0 17.7 40 42 A A < + 0 0 2 -3,-1.7 15,-2.6 -6,-0.3 16,-1.0 -0.171 23.0 160.5 -46.3 129.8 23.0 -38.5 16.3 41 43 A R E -DE 33 54A 60 -8,-2.1 -8,-2.2 13,-0.3 2,-0.4 -0.912 34.2-138.0-151.8 169.7 26.7 -38.3 15.3 42 44 A I E -DE 32 53A 0 11,-2.8 11,-2.5 -2,-0.3 2,-0.4 -0.999 10.7-169.5-142.2 135.7 29.4 -36.5 13.3 43 45 A K E +DE 31 52A 55 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.3 -0.964 15.9 170.9-120.7 141.6 32.3 -37.9 11.2 44 46 A W E -DE 30 51A 14 7,-2.5 7,-3.3 -2,-0.4 2,-0.4 -0.991 25.6-144.7-151.1 158.9 35.0 -35.7 9.8 45 47 A K E +DE 29 50A 71 -16,-2.9 -16,-1.6 -2,-0.3 2,-0.3 -0.996 31.9 147.4-128.8 129.3 38.4 -35.8 8.1 46 48 A M E > + E 0 49A 10 3,-2.0 3,-2.7 -2,-0.4 -18,-0.1 -0.966 60.2 19.7-159.1 137.3 41.1 -33.2 8.7 47 49 A D T 3 S- 0 0 121 1,-0.4 3,-0.1 -20,-0.3 -20,-0.0 0.732 131.0 -73.3 53.0 43.8 44.9 -33.3 8.7 48 50 A G T 3 S+ 0 0 62 1,-0.1 -1,-0.4 -21,-0.0 2,-0.3 -0.331 110.5 110.8-115.1 60.3 44.2 -35.8 7.1 49 51 A S E < -E 46 0A 65 -3,-2.7 -3,-2.0 1,-0.0 2,-0.4 -0.749 60.6-119.1-102.3 151.4 42.9 -38.3 9.7 50 52 A K E +E 45 0A 162 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.723 36.3 172.1 -93.6 133.3 39.3 -39.6 10.1 51 53 A Q E -E 44 0A 88 -7,-3.3 -7,-2.5 -2,-0.4 2,-0.3 -0.894 12.9-167.9-134.5 163.8 37.4 -38.9 13.3 52 54 A E E +E 43 0A 127 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.989 5.9 174.8-154.1 152.1 33.9 -39.3 14.8 53 55 A A E -E 42 0A 31 -11,-2.5 -11,-2.8 -2,-0.3 2,-0.2 -0.984 35.8-102.8-150.1 151.4 32.0 -38.2 17.8 54 56 A A E -E 41 0A 80 -2,-0.3 -13,-0.3 -13,-0.2 -14,-0.1 -0.534 17.8-156.9 -69.4 142.9 28.4 -38.4 19.2 55 57 A L - 0 0 22 -15,-2.6 -14,-0.2 -2,-0.2 5,-0.1 0.538 52.7-100.2 -94.6 -13.1 26.4 -35.2 18.8 56 58 A G > - 0 0 35 -16,-1.0 3,-2.2 -18,-0.2 -16,-0.2 0.021 52.3 -49.8 106.1 147.9 24.1 -36.3 21.7 57 59 A A T 3 S+ 0 0 88 1,-0.3 -18,-0.1 -18,-0.1 -22,-0.1 -0.257 126.3 5.3 -54.6 127.9 20.6 -37.9 21.8 58 60 A G T 3 S+ 0 0 40 -21,-2.2 -1,-0.3 -24,-0.2 -22,-0.2 0.453 92.9 156.0 78.6 3.0 18.1 -36.0 19.6 59 61 A A < + 0 0 4 -3,-2.2 -23,-2.5 -22,-0.4 -22,-0.5 -0.162 10.7 161.0 -62.4 155.7 20.9 -33.7 18.2 60 62 A A > - 0 0 12 -25,-0.2 4,-2.4 -5,-0.1 5,-0.2 -0.577 51.8 -33.2-147.0-144.1 20.4 -31.9 14.9 61 63 A H H > S+ 0 0 6 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.841 127.2 49.5 -58.7 -47.0 21.6 -29.0 12.7 62 64 A S H > S+ 0 0 48 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.934 114.7 45.6 -61.2 -45.7 22.4 -26.5 15.4 63 65 A E H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.878 111.2 53.3 -62.1 -41.2 24.4 -29.0 17.4 64 66 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.960 113.2 42.4 -59.1 -50.5 26.2 -30.2 14.3 65 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.899 112.9 53.7 -63.9 -39.6 27.2 -26.6 13.4 66 68 A N H X S+ 0 0 91 -4,-2.7 4,-3.2 1,-0.2 5,-0.3 0.891 108.9 50.0 -59.3 -40.9 28.1 -25.9 17.1 67 69 A F H X>S+ 0 0 27 -4,-2.5 4,-2.3 2,-0.2 5,-2.2 0.900 108.4 51.7 -64.4 -44.8 30.4 -28.9 17.0 68 70 A I H <>S+ 0 0 0 -4,-2.1 5,-2.3 3,-0.2 -2,-0.2 0.948 117.9 39.0 -55.5 -49.7 32.1 -27.8 13.8 69 71 A V H <5S+ 0 0 38 -4,-2.4 -2,-0.2 3,-0.2 -1,-0.2 0.949 126.1 31.9 -66.5 -50.3 32.8 -24.4 15.4 70 72 A N H <5S+ 0 0 95 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.548 132.8 20.7 -96.2 -10.1 33.7 -25.4 19.0 71 73 A T T X5S+ 0 0 61 -4,-2.3 4,-0.5 -5,-0.3 -3,-0.2 0.662 128.0 36.8-117.6 -52.6 35.3 -28.8 18.6 72 74 A I T 44 + 0 0 39 -3,-1.4 4,-1.7 1,-0.1 3,-1.1 -0.428 54.9 157.7-138.1 61.9 42.3 -24.4 14.0 77 79 A P H 3> S+ 0 0 86 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.800 77.5 61.6 -59.3 -28.5 41.5 -20.7 14.5 78 80 A E H 3> S+ 0 0 93 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.854 103.8 49.1 -65.3 -33.3 43.5 -19.9 11.3 79 81 A L H <> S+ 0 0 5 -3,-1.1 4,-0.6 2,-0.2 -1,-0.2 0.916 110.9 49.8 -68.6 -44.5 41.0 -22.1 9.3 80 82 A S H >< S+ 0 0 43 -4,-1.7 3,-0.8 -7,-0.3 -2,-0.2 0.898 111.0 49.3 -58.2 -44.5 38.2 -20.2 10.9 81 83 A A H 3< S+ 0 0 83 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.839 106.8 55.7 -67.4 -35.3 39.8 -16.8 10.0 82 84 A Q H 3< S+ 0 0 83 -4,-1.7 -79,-0.8 -5,-0.2 2,-0.3 0.545 76.6 115.8 -76.4 -9.2 40.4 -17.8 6.4 83 85 A L E << +b 3 0A 9 -3,-0.8 -79,-0.2 -4,-0.6 3,-0.1 -0.520 36.4 173.2 -62.3 121.6 36.7 -18.7 5.8 84 86 A T E - 0 0 40 -81,-3.2 2,-0.3 -2,-0.3 -80,-0.2 0.580 57.7 -6.6-106.6 -15.8 35.5 -16.1 3.2 85 87 A A E -b 4 0A 0 -82,-0.7 -80,-2.5 2,-0.0 2,-0.4 -0.980 56.8-124.5-172.6 163.1 32.0 -17.4 2.4 86 88 A I E -bf 5 143A 0 56,-2.3 58,-2.6 -2,-0.3 2,-0.4 -0.997 19.7-160.2-126.5 131.7 29.4 -20.1 2.9 87 89 A G E -bf 6 144A 0 -82,-2.7 -80,-3.2 -2,-0.4 2,-0.4 -0.947 6.5-159.3-113.3 134.6 27.8 -22.0 0.0 88 90 A H E -bf 7 145A 4 56,-2.9 58,-2.7 -2,-0.4 2,-0.5 -0.947 15.6-131.9-117.1 128.8 24.5 -23.9 0.5 89 91 A R E - f 0 146A 36 -82,-2.5 2,-0.5 -2,-0.4 -80,-0.4 -0.697 24.6-168.9 -73.5 123.2 23.2 -26.7 -1.7 90 92 A I E - f 0 147A 0 56,-2.6 58,-2.9 -2,-0.5 59,-0.4 -0.989 13.5-156.7-116.9 124.1 19.5 -26.0 -2.5 91 93 A V S S+ 0 0 34 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.890 78.4 33.8 -69.0 -39.5 17.5 -28.8 -4.1 92 94 A H + 0 0 11 26,-0.1 -1,-0.2 56,-0.1 22,-0.1 -0.946 44.7 157.9-130.6 119.5 14.9 -26.7 -5.8 93 95 A G > - 0 0 2 -2,-0.5 4,-2.2 1,-0.2 3,-0.3 0.271 38.9-153.8-109.0 5.7 15.2 -23.2 -7.3 94 96 A G T 4 - 0 0 7 1,-0.2 -1,-0.2 2,-0.2 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-2,-0.2 4,-0.1 -19,-0.1 -1,-0.1 -0.718 39.2-121.1 -77.3 124.9 15.8 -45.3 -7.3 232 234 A P - 0 0 51 0, 0.0 -1,-0.1 0, 0.0 -23,-0.0 -0.125 37.5 -88.1 -61.4 164.4 19.2 -46.2 -5.8 233 235 A L S S+ 0 0 46 1,-0.2 2,-2.2 2,-0.1 60,-0.1 0.700 115.3 88.0 -54.3 -21.3 20.2 -49.9 -5.9 234 236 A E 0 0 170 320,-0.0 -1,-0.2 55,-0.0 52,-0.0 -0.587 360.0 360.0 -71.7 77.8 18.4 -50.4 -2.6 235 237 A G 0 0 46 -2,-2.2 320,-0.6 -4,-0.1 54,-0.1 -0.587 360.0 360.0-166.6 360.0 15.2 -51.1 -4.6 236 ! 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 0.0 237 245 A G 0 0 146 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -10.7 -12.7 -44.4 -1.9 238 246 A D - 0 0 94 1,-0.0 2,-0.1 0, 0.0 0, 0.0 -0.775 360.0-109.9 -99.8 139.3 -9.0 -44.5 -2.9 239 247 A I - 0 0 96 -2,-0.4 5,-0.1 1,-0.1 -1,-0.0 -0.424 51.6 -96.1 -52.4 130.6 -7.5 -44.6 -6.5 240 248 A D >> - 0 0 60 1,-0.1 4,-1.1 -2,-0.1 3,-0.9 -0.275 26.8-129.2 -51.5 137.9 -6.1 -48.1 -7.0 241 249 A P H 3> S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.795 105.9 68.2 -62.8 -28.3 -2.3 -48.1 -6.2 242 250 A A H 3> S+ 0 0 16 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.843 99.6 49.3 -58.2 -35.5 -1.7 -49.8 -9.6 243 251 A I H <> S+ 0 0 30 -3,-0.9 4,-2.6 2,-0.2 -1,-0.2 0.871 108.9 52.5 -69.9 -40.4 -2.8 -46.5 -11.3 244 252 A I H X S+ 0 0 17 -4,-1.1 4,-2.4 2,-0.2 -2,-0.2 0.939 112.4 44.0 -61.3 -49.1 -0.5 -44.5 -9.1 245 253 A F H X S+ 0 0 34 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.911 112.6 53.6 -63.5 -41.9 2.5 -46.6 -10.0 246 254 A H H X S+ 0 0 49 -4,-2.1 4,-2.8 -5,-0.2 5,-0.3 0.925 111.3 45.2 -55.3 -47.3 1.4 -46.6 -13.7 247 255 A L H X S+ 0 0 7 -4,-2.6 4,-2.6 1,-0.2 5,-0.4 0.904 112.6 51.4 -65.8 -39.9 1.3 -42.8 -13.7 248 256 A H H X>S+ 0 0 11 -4,-2.4 4,-1.7 -5,-0.2 5,-1.4 0.948 115.0 42.0 -59.5 -48.7 4.6 -42.6 -11.9 249 257 A D H <5S+ 0 0 29 -4,-2.8 -2,-0.2 2,-0.2 -3,-0.2 0.949 120.3 40.6 -68.8 -49.7 6.4 -44.9 -14.4 250 258 A T H <5S+ 0 0 9 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.871 120.5 41.4 -71.0 -40.2 4.8 -43.4 -17.6 251 259 A L H <5S- 0 0 1 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.800 101.0-126.9 -76.4 -30.2 5.0 -39.7 -16.6 252 260 A G T <5 + 0 0 13 -4,-1.7 2,-0.3 -5,-0.4 -3,-0.2 0.911 65.1 132.0 77.2 48.0 8.5 -39.8 -15.0 253 261 A M < - 0 0 4 -5,-1.4 -1,-0.3 -6,-0.3 -2,-0.1 -0.969 62.8-102.3-133.0 140.6 7.2 -38.2 -11.8 254 262 A S > - 0 0 48 -2,-0.3 4,-1.9 1,-0.1 5,-0.1 -0.251 31.9-114.2 -59.7 151.6 7.8 -39.4 -8.3 255 263 A V H > S+ 0 0 37 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.871 118.7 52.2 -51.4 -37.7 5.0 -41.3 -6.5 256 264 A D H > S+ 0 0 116 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.900 106.1 49.6 -70.7 -41.7 4.8 -38.3 -4.1 257 265 A Q H > S+ 0 0 56 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.822 110.0 54.8 -68.8 -27.2 4.5 -35.6 -6.8 258 266 A I H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.967 110.1 43.2 -64.5 -55.3 1.8 -37.7 -8.4 259 267 A N H < S+ 0 0 83 -4,-2.1 3,-0.3 2,-0.2 -2,-0.2 0.965 115.6 52.4 -54.1 -51.4 -0.3 -37.8 -5.2 260 268 A K H < S+ 0 0 67 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.939 113.7 39.6 -44.9 -63.2 0.5 -34.1 -4.7 261 269 A M H < 0 0 48 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.728 360.0 360.0 -67.0 -23.5 -0.7 -33.0 -8.2 262 270 A L < 0 0 107 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.881 360.0 360.0 -65.3 360.0 -3.7 -35.4 -8.2 263 ! 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 0.0 264 277 A L 0 0 124 0, 0.0 2,-1.4 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 75.4 10.5 -34.9 14.5 265 278 A G + 0 0 30 1,-0.2 3,-0.4 -254,-0.1 4,-0.1 -0.482 360.0 158.6 -74.1 89.1 11.9 -37.2 11.8 266 279 A L S > S+ 0 0 141 -2,-1.4 3,-1.1 1,-0.2 4,-0.3 0.778 73.0 68.2 -72.1 -29.7 9.5 -40.1 11.6 267 280 A T T 3 S+ 0 0 110 1,-0.3 -1,-0.2 -3,-0.2 3,-0.2 0.683 107.6 37.7 -65.2 -19.8 10.8 -40.7 8.0 268 281 A E T > S+ 0 0 51 -3,-0.4 3,-2.2 1,-0.1 -1,-0.3 0.359 79.4 112.2-112.4 5.9 14.2 -41.7 9.4 269 282 A V T < S+ 0 0 61 -3,-1.1 -2,-0.1 1,-0.3 -1,-0.1 0.705 90.7 31.5 -58.5 -24.0 13.1 -43.6 12.6 270 283 A T T 3 S+ 0 0 105 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 -0.089 90.2 143.1-120.4 36.3 14.4 -46.9 11.1 271 284 A S X - 0 0 26 -3,-2.2 3,-1.9 1,-0.1 4,-0.3 -0.292 62.3-107.2 -77.8 162.8 17.4 -45.7 9.0 272 285 A D G > S+ 0 0 132 1,-0.3 3,-2.0 2,-0.2 -1,-0.1 0.825 113.4 65.5 -56.9 -39.2 20.7 -47.5 8.5 273 286 A a G 3 S+ 0 0 18 1,-0.3 -1,-0.3 0, 0.0 -240,-0.1 0.639 93.4 63.7 -65.5 -10.3 22.7 -45.1 10.7 274 287 A R G < S+ 0 0 75 -3,-1.9 2,-0.3 -6,-0.1 -1,-0.3 0.699 96.8 68.9 -81.4 -20.4 20.7 -46.3 13.6 275 288 A Y < - 0 0 140 -3,-2.0 4,-0.1 -4,-0.3 -5,-0.0 -0.759 55.5-160.4-110.5 144.7 22.0 -49.9 13.4 276 289 A V S S+ 0 0 106 -2,-0.3 -1,-0.2 2,-0.1 -2,-0.0 0.942 85.8 55.5 -75.6 -59.3 25.3 -51.7 14.1 277 290 A E S S- 0 0 54 1,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.041 90.8-109.9 -66.6 174.3 24.3 -54.8 12.0 278 291 A D - 0 0 154 1,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.749 22.6-103.7-113.1 153.4 23.2 -54.6 8.4 279 292 A N - 0 0 149 -2,-0.3 2,-0.1 1,-0.1 -7,-0.0 -0.640 48.3-114.1 -72.1 127.6 19.9 -55.2 6.5 280 293 A Y + 0 0 74 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 -0.379 35.4 178.9 -68.1 138.4 20.0 -58.6 4.8 281 294 A A - 0 0 82 -2,-0.1 5,-0.0 4,-0.0 -1,-0.0 -0.874 20.5-138.5-142.5 108.4 20.0 -58.8 1.0 282 295 A T > - 0 0 77 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.206 22.9-114.8 -64.1 154.8 20.3 -62.2 -0.7 283 296 A K H > S+ 0 0 110 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.855 116.7 50.5 -56.2 -39.6 22.4 -62.8 -3.8 284 297 A E H > S+ 0 0 127 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.898 112.6 45.1 -67.2 -44.1 19.3 -63.5 -5.9 285 298 A D H > S+ 0 0 68 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.831 112.9 51.6 -67.0 -35.6 17.6 -60.3 -4.8 286 299 A A H X S+ 0 0 52 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.891 110.7 48.3 -68.1 -40.9 20.8 -58.3 -5.3 287 300 A K H X S+ 0 0 92 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.883 111.5 49.8 -65.0 -43.4 21.2 -59.6 -8.8 288 301 A R H X S+ 0 0 23 -4,-2.1 4,-2.5 2,-0.2 5,-0.2 0.921 111.3 48.7 -61.0 -45.8 17.5 -58.8 -9.6 289 302 A A H X S+ 0 0 20 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.888 112.4 49.1 -62.3 -41.7 17.9 -55.3 -8.3 290 303 A M H X S+ 0 0 32 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.921 110.5 49.7 -62.3 -47.3 21.0 -54.8 -10.3 291 304 A D H X S+ 0 0 54 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.908 112.3 47.2 -61.4 -42.6 19.5 -56.1 -13.5 292 305 A V H X S+ 0 0 16 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.931 114.1 48.3 -64.0 -43.4 16.4 -53.8 -13.1 293 306 A Y H X S+ 0 0 19 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.911 114.7 43.7 -62.2 -46.3 18.7 -50.8 -12.4 294 307 A C H X S+ 0 0 1 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.799 112.3 53.1 -75.9 -32.0 21.0 -51.4 -15.3 295 308 A H H X S+ 0 0 0 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.934 112.7 43.6 -62.6 -50.9 18.2 -52.1 -17.7 296 309 A R H X S+ 0 0 36 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.873 113.4 52.9 -64.6 -36.5 16.5 -48.9 -16.8 297 310 A L H X S+ 0 0 3 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.939 108.3 48.8 -64.1 -46.4 19.8 -47.0 -17.0 298 311 A A H X S+ 0 0 0 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.889 109.4 54.5 -60.6 -40.9 20.6 -48.3 -20.5 299 312 A K H X S+ 0 0 28 -4,-2.1 4,-2.8 2,-0.2 -1,-0.2 0.912 106.7 50.2 -60.1 -42.2 17.1 -47.3 -21.5 300 313 A Y H X S+ 0 0 53 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.926 110.6 49.5 -59.6 -47.0 17.6 -43.7 -20.3 301 314 A I H < S+ 0 0 0 -4,-2.4 4,-0.4 1,-0.2 3,-0.4 0.958 114.0 45.3 -58.4 -47.4 20.9 -43.6 -22.2 302 315 A G H >< S+ 0 0 0 -4,-2.6 3,-1.5 390,-0.2 4,-0.3 0.900 108.2 58.9 -62.3 -39.5 19.2 -44.9 -25.4 303 316 A S H >< S+ 0 0 10 -4,-2.8 3,-1.4 1,-0.3 -1,-0.2 0.864 99.0 57.8 -59.8 -35.6 16.3 -42.5 -25.0 304 317 A Y G >< S+ 0 0 3 -4,-1.8 3,-2.1 -3,-0.4 4,-0.3 0.583 78.4 85.0 -82.1 -1.7 18.5 -39.4 -25.0 305 318 A T G X S+ 0 0 1 -3,-1.5 3,-1.3 -4,-0.4 5,-0.4 0.811 82.1 69.5 -57.1 -26.8 19.9 -40.2 -28.5 306 319 A A G < S+ 0 0 5 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.475 98.8 47.0 -69.4 -2.9 16.6 -38.4 -29.4 307 320 A L G < S+ 0 0 8 -3,-2.1 -1,-0.2 1,-0.1 -2,-0.2 0.405 90.6 84.1-109.6 -4.5 18.2 -35.1 -28.1 308 321 A M S X S- 0 0 0 -3,-1.3 3,-1.7 -4,-0.3 -2,-0.1 0.530 81.4-140.8 -88.3 -5.8 21.5 -35.5 -29.8 309 322 A D T 3 S- 0 0 127 415,-0.4 416,-0.1 1,-0.3 -3,-0.1 0.870 76.8 -43.7 46.3 43.6 20.6 -34.0 -33.3 310 323 A G T 3 S+ 0 0 39 -5,-0.4 2,-0.4 414,-0.4 -1,-0.3 0.313 125.3 80.1 94.5 -8.1 22.8 -36.6 -35.1 311 324 A R < - 0 0 92 -3,-1.7 2,-0.5 -6,-0.1 416,-0.1 -0.971 43.9-179.5-141.5 124.0 25.9 -36.6 -32.9 312 325 A L - 0 0 7 -2,-0.4 -108,-0.2 1,-0.1 3,-0.1 -0.948 3.6-177.0-121.7 108.3 26.7 -38.3 -29.5 313 326 A D - 0 0 22 -110,-2.6 2,-0.3 -2,-0.5 -109,-0.2 0.867 60.9 -32.9 -72.0 -39.5 30.3 -37.5 -28.4 314 327 A A E -i 204 0B 1 -111,-0.8 -109,-1.7 51,-0.1 2,-0.4 -0.979 46.1-116.6-171.0 154.7 30.3 -39.6 -25.2 315 328 A V E -ik 205 367B 0 51,-1.7 53,-2.6 -2,-0.3 2,-0.4 -0.908 34.0-152.9 -98.5 144.1 28.4 -41.1 -22.3 316 329 A V E -ik 206 368B 0 -111,-3.1 -109,-2.9 -2,-0.4 2,-0.4 -0.963 6.1-160.7-120.3 132.8 29.6 -39.8 -18.9 317 330 A F E +ik 207 369B 0 51,-2.7 53,-2.3 -2,-0.4 2,-0.3 -0.944 25.4 144.7-110.6 137.7 29.4 -41.7 -15.6 318 331 A T E > +i 208 0B 0 -111,-2.4 -109,-3.2 -2,-0.4 4,-0.8 -0.909 20.4 70.8-157.8 176.0 29.6 -39.9 -12.2 319 332 A G H > S- 0 0 1 -2,-0.3 4,-3.0 51,-0.3 5,-0.4 -0.125 95.3 -54.7 92.8 169.9 28.4 -40.0 -8.6 320 333 A G H 4 S+ 0 0 53 1,-0.2 4,-0.3 2,-0.2 -110,-0.2 0.801 142.3 29.0 -54.4 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