==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-FEB-12 4DML . COMPND 2 MOLECULE: 3-OXOACYL-[ACYL-CARRIER-PROTEIN] REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SYNECHOCOCCUS ELONGATUS; . AUTHOR C.CHEN,N.N.ZHUANG,K.H.LEE . 959 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32615.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 735 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 14.2 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 . 56 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 106 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 369 38.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 31 3.2 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 2 2 0 0 0 0 0 4 5 6 1 4 1 3 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 0 4 12 6 2 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 4 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 4 A L > 0 0 146 0, 0.0 3,-1.8 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0 149.8 50.7 68.8 32.6 2 5 A P T 3 + 0 0 82 0, 0.0 27,-0.2 0, 0.0 26,-0.1 0.815 360.0 37.1 -58.8 -30.2 46.9 68.3 32.4 3 6 A L T > S+ 0 0 10 25,-2.7 3,-2.1 22,-0.1 2,-0.3 0.085 78.1 144.6-109.2 23.5 46.4 68.5 36.2 4 7 A T T < S+ 0 0 60 -3,-1.8 26,-0.2 1,-0.3 3,-0.1 -0.481 80.9 9.1 -60.9 120.9 49.0 71.2 37.0 5 8 A D T 3 S+ 0 0 108 24,-0.7 -1,-0.3 1,-0.4 2,-0.2 0.399 105.9 117.5 87.9 -2.0 47.6 73.3 39.8 6 9 A R < - 0 0 118 -3,-2.1 25,-2.4 23,-0.2 2,-0.4 -0.632 57.6-132.4 -97.7 160.5 44.7 70.8 40.4 7 10 A I E -a 31 0A 4 -2,-0.2 79,-2.0 23,-0.2 78,-1.5 -0.932 18.9-172.1-123.0 132.1 44.1 68.9 43.5 8 11 A A E -ab 32 86A 0 23,-3.5 25,-3.0 -2,-0.4 2,-0.4 -0.945 9.6-163.1-123.7 151.4 43.4 65.2 44.0 9 12 A L E -ab 33 87A 0 77,-2.0 79,-2.8 -2,-0.4 2,-0.5 -0.999 6.3-170.9-129.8 125.4 42.4 63.1 47.0 10 13 A V E > -ab 34 88A 0 23,-2.2 25,-1.9 -2,-0.4 3,-0.5 -0.976 14.1-147.2-113.9 115.4 42.8 59.4 46.8 11 14 A T T 3 S+ 0 0 2 77,-2.9 79,-0.4 -2,-0.5 25,-0.1 -0.658 84.7 19.4 -78.3 145.7 41.3 57.4 49.7 12 15 A G T 3 S+ 0 0 20 -2,-0.3 3,-0.3 78,-0.2 6,-0.3 0.935 84.0 148.5 64.5 47.3 43.1 54.2 50.6 13 16 A A < + 0 0 0 22,-2.7 23,-0.1 -3,-0.5 9,-0.1 0.209 34.5 90.2 -98.9 12.7 46.3 55.4 48.8 14 17 A S S S+ 0 0 15 21,-0.3 2,-0.3 178,-0.1 -1,-0.2 0.700 90.3 23.0 -91.4 -14.2 49.2 53.9 50.7 15 18 A R S >> S- 0 0 115 -3,-0.3 4,-1.5 177,-0.3 3,-0.9 -0.930 104.6 -19.2-143.7 168.7 49.6 50.7 48.9 16 19 A G H 3> S+ 0 0 11 -2,-0.3 4,-2.1 1,-0.2 176,-0.2 -0.022 125.6 4.8 43.6-116.3 49.0 48.7 45.7 17 20 A I H 3> S+ 0 0 12 174,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.920 132.6 53.0 -71.0 -43.9 46.4 50.3 43.5 18 21 A G H <> S+ 0 0 0 174,-1.1 4,-2.3 -3,-0.9 -2,-0.2 0.921 112.7 45.9 -53.2 -48.7 45.8 53.4 45.7 19 22 A R H X S+ 0 0 97 -4,-1.5 4,-2.9 2,-0.2 5,-0.2 0.895 110.5 52.3 -59.4 -43.7 49.6 54.2 45.6 20 23 A A H X S+ 0 0 16 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.860 110.8 47.6 -70.0 -30.8 49.8 53.6 41.9 21 24 A I H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.845 110.0 54.2 -74.4 -41.3 46.9 56.1 41.4 22 25 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 5,-0.3 0.970 111.4 43.6 -53.5 -56.4 48.6 58.5 43.7 23 26 A L H X S+ 0 0 52 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.892 113.6 52.1 -60.1 -40.4 51.8 58.4 41.7 24 27 A E H X S+ 0 0 49 -4,-2.1 4,-1.8 -5,-0.2 -1,-0.2 0.911 108.3 49.0 -67.4 -39.8 50.0 58.6 38.5 25 28 A L H <>S+ 0 0 0 -4,-2.7 5,-2.0 2,-0.2 -1,-0.2 0.930 112.7 47.2 -65.1 -43.1 47.9 61.6 39.4 26 29 A A H ><5S+ 0 0 13 -4,-2.3 3,-1.5 1,-0.2 -1,-0.2 0.884 109.3 55.6 -64.6 -35.2 51.0 63.5 40.6 27 30 A A H 3<5S+ 0 0 65 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.864 104.4 52.9 -62.4 -35.6 52.7 62.5 37.4 28 31 A A T 3<5S- 0 0 7 -4,-1.8 -25,-2.7 -5,-0.2 -1,-0.3 0.448 132.6 -97.5 -75.9 -2.5 49.8 64.1 35.5 29 32 A G T < 5S+ 0 0 22 -3,-1.5 -24,-0.7 1,-0.3 -3,-0.2 0.204 77.6 138.3 108.1 -13.4 50.6 67.2 37.6 30 33 A A < - 0 0 3 -5,-2.0 26,-0.5 -26,-0.2 2,-0.5 -0.212 54.8-125.7 -59.3 149.6 48.0 67.0 40.4 31 34 A K E -ac 7 56A 45 -25,-2.4 -23,-3.5 -28,-0.2 2,-0.5 -0.878 38.1-146.0 -85.2 134.6 48.8 67.8 44.1 32 35 A V E -ac 8 57A 0 24,-2.3 26,-1.7 -2,-0.5 2,-0.7 -0.907 20.5-155.5-121.8 119.6 47.8 64.6 45.9 33 36 A A E -ac 9 58A 0 -25,-3.0 -23,-2.2 -2,-0.5 2,-1.0 -0.829 20.6-155.2 -83.0 112.4 46.2 64.1 49.4 34 37 A V E -ac 10 59A 0 24,-2.7 26,-2.3 -2,-0.7 2,-0.3 -0.793 11.9-165.7 -94.1 97.0 47.2 60.5 50.2 35 38 A N E + c 0 60A 3 -25,-1.9 -22,-2.7 -2,-1.0 -21,-0.3 -0.648 12.7 168.9 -85.9 142.4 44.7 59.2 52.7 36 39 A Y E - c 0 61A 30 24,-1.6 26,-2.1 -2,-0.3 4,-0.0 -0.949 30.1-147.8-144.7 162.9 45.3 56.1 54.7 37 40 A A S S+ 0 0 61 -2,-0.3 3,-0.1 24,-0.2 -1,-0.1 0.804 82.0 8.2 -96.4 -40.5 43.7 54.3 57.7 38 41 A S S S+ 0 0 100 1,-0.2 2,-0.4 24,-0.1 -2,-0.1 0.743 107.5 45.1-115.1 -87.1 46.6 52.5 59.6 39 42 A S > - 0 0 48 1,-0.2 4,-1.2 2,-0.0 -1,-0.2 -0.576 42.9-165.6 -85.6 124.9 50.3 52.9 58.9 40 43 A A H > S+ 0 0 43 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.725 89.5 66.6 -66.8 -24.5 52.0 56.3 58.4 41 44 A G H > S+ 0 0 39 2,-0.2 4,-1.6 1,-0.2 5,-0.2 0.981 100.7 44.4 -64.3 -58.8 55.0 54.4 57.1 42 45 A A H > S+ 0 0 18 1,-0.2 4,-1.7 2,-0.2 3,-0.4 0.919 117.4 48.2 -48.0 -45.7 53.3 53.0 54.0 43 46 A A H X S+ 0 0 0 -4,-1.2 4,-2.3 1,-0.2 -1,-0.2 0.858 107.9 52.0 -72.9 -30.6 51.8 56.4 53.4 44 47 A D H X S+ 0 0 88 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.753 105.7 57.3 -69.2 -27.1 55.0 58.4 53.8 45 48 A E H X S+ 0 0 137 -4,-1.6 4,-2.0 -3,-0.4 -1,-0.2 0.893 107.2 47.1 -76.2 -41.0 56.7 56.1 51.3 46 49 A V H X S+ 0 0 0 -4,-1.7 4,-1.8 1,-0.2 5,-0.2 0.960 114.0 48.2 -59.5 -50.7 54.0 57.1 48.7 47 50 A V H X S+ 0 0 31 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.904 111.8 49.4 -56.4 -42.1 54.5 60.8 49.6 48 51 A A H X S+ 0 0 58 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.870 108.9 51.7 -73.3 -33.2 58.3 60.5 49.4 49 52 A A H X S+ 0 0 32 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.800 109.5 50.1 -70.7 -29.9 58.2 58.8 46.0 50 53 A I H <>S+ 0 0 3 -4,-1.8 5,-2.5 2,-0.2 -2,-0.2 0.876 112.1 49.0 -70.3 -37.9 55.9 61.5 44.6 51 54 A A H ><5S+ 0 0 60 -4,-2.0 3,-1.6 3,-0.2 -2,-0.2 0.891 107.6 54.4 -66.7 -40.7 58.4 64.0 46.0 52 55 A A H 3<5S+ 0 0 90 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.802 105.6 52.2 -66.6 -34.1 61.3 62.2 44.4 53 56 A A T 3<5S- 0 0 90 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.236 127.4-102.0 -85.8 13.4 59.7 62.3 41.0 54 57 A G T < 5S+ 0 0 70 -3,-1.6 -3,-0.2 1,-0.2 2,-0.2 0.847 83.1 115.8 75.5 37.0 59.3 66.1 41.5 55 58 A G < - 0 0 22 -5,-2.5 2,-0.4 -6,-0.1 -1,-0.2 -0.668 60.1-105.8-123.3-176.0 55.6 66.3 42.4 56 59 A E E +c 31 0A 110 -26,-0.5 -24,-2.3 -2,-0.2 2,-0.3 -0.953 40.5 144.1-125.5 135.8 53.6 67.3 45.5 57 60 A A E -c 32 0A 18 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.984 23.0-158.9-156.1 154.3 51.7 65.2 48.1 58 61 A F E -c 33 0A 28 -26,-1.7 -24,-2.7 -2,-0.3 2,-0.4 -0.989 22.1-123.6-139.8 152.7 50.8 65.0 51.8 59 62 A A E -c 34 0A 31 -2,-0.3 2,-0.4 -26,-0.2 -24,-0.2 -0.735 25.4-177.4 -93.2 128.1 49.6 62.1 54.0 60 63 A V E -c 35 0A 21 -26,-2.3 -24,-1.6 -2,-0.4 2,-0.4 -0.974 17.2-144.7-132.9 124.3 46.3 62.3 55.9 61 64 A K E +c 36 0A 128 -2,-0.4 2,-0.3 -26,-0.2 -24,-0.2 -0.674 36.5 145.3 -82.8 130.6 45.0 59.6 58.3 62 65 A A - 0 0 3 -26,-2.1 2,-1.0 -2,-0.4 -2,-0.1 -0.882 46.3-137.3-166.3 135.4 41.2 59.2 58.2 63 66 A D > - 0 0 56 -2,-0.3 3,-2.3 1,-0.1 6,-0.2 -0.850 22.1-159.0 -94.1 97.9 38.9 56.2 58.6 64 67 A V T 3 S+ 0 0 4 -2,-1.0 56,-0.2 1,-0.3 57,-0.2 0.342 80.9 75.5 -75.0 11.5 36.5 57.1 55.8 65 68 A S T 3 S+ 0 0 29 1,-0.1 2,-0.6 55,-0.1 -1,-0.3 0.599 85.6 80.3 -82.3 -10.7 33.7 54.9 57.3 66 69 A Q S X> S- 0 0 88 -3,-2.3 4,-1.8 1,-0.1 3,-1.0 -0.868 73.6-146.7-107.2 116.6 33.2 57.6 59.9 67 70 A E H 3> S+ 0 0 82 -2,-0.6 4,-1.3 1,-0.3 3,-0.2 0.839 99.9 45.4 -41.8 -53.7 31.2 60.8 59.0 68 71 A S H 3> S+ 0 0 91 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.754 108.9 57.0 -68.2 -27.7 33.2 63.2 61.2 69 72 A E H <> S+ 0 0 72 -3,-1.0 4,-2.0 -6,-0.2 -1,-0.2 0.836 104.6 50.7 -74.6 -31.9 36.5 61.7 60.0 70 73 A V H X S+ 0 0 1 -4,-1.8 4,-2.4 -3,-0.2 5,-0.3 0.833 105.4 58.5 -73.9 -25.6 35.7 62.5 56.4 71 74 A E H X S+ 0 0 110 -4,-1.3 4,-3.0 -5,-0.3 5,-0.3 0.979 109.0 43.4 -63.2 -50.2 34.9 66.1 57.6 72 75 A A H X S+ 0 0 65 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.904 112.9 53.6 -57.4 -42.8 38.4 66.4 58.9 73 76 A L H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.908 114.6 40.1 -59.0 -46.8 39.9 64.8 55.8 74 77 A F H X S+ 0 0 9 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.925 115.0 49.6 -72.1 -46.0 38.1 67.2 53.4 75 78 A A H X S+ 0 0 62 -4,-3.0 4,-3.4 -5,-0.3 -2,-0.2 0.865 108.4 57.9 -59.2 -33.6 38.6 70.3 55.5 76 79 A A H X S+ 0 0 32 -4,-2.2 4,-2.3 -5,-0.3 -1,-0.2 0.934 109.4 41.9 -63.2 -47.3 42.3 69.3 55.7 77 80 A V H X>S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 5,-0.5 0.942 116.2 48.7 -63.8 -49.5 42.7 69.3 51.9 78 81 A I H X5S+ 0 0 59 -4,-2.6 4,-3.2 1,-0.2 -2,-0.2 0.941 112.2 50.0 -57.1 -49.9 40.7 72.5 51.6 79 82 A E H <5S+ 0 0 161 -4,-3.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 116.2 41.6 -52.2 -46.2 42.8 74.1 54.3 80 83 A R H <5S+ 0 0 136 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.897 138.7 6.0 -71.4 -38.6 46.1 73.1 52.7 81 84 A W H <5S- 0 0 51 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.417 85.1-130.2-136.6 -7.2 45.2 73.8 49.0 82 85 A G S <> - 0 0 83 -2,-0.2 4,-0.9 1,-0.1 3,-0.7 -0.144 39.9-116.5 -46.1 148.7 31.3 31.7 52.3 99 102 A L T 34 S+ 0 0 0 1,-0.2 3,-0.4 2,-0.2 -1,-0.1 0.843 111.6 71.5 -62.8 -33.9 27.8 33.1 53.1 100 103 A L T 34 S+ 0 0 52 1,-0.2 -1,-0.2 515,-0.1 516,-0.1 0.884 118.0 16.6 -47.0 -45.0 27.2 29.9 55.1 101 104 A R T <4 S+ 0 0 169 -3,-0.7 -1,-0.2 2,-0.1 -2,-0.2 0.328 86.4 135.5-118.8 11.0 29.6 31.1 57.8 102 105 A M < - 0 0 1 -4,-0.9 2,-0.3 -3,-0.4 -6,-0.0 -0.404 52.6-130.2 -63.1 125.1 30.0 34.9 57.1 103 106 A K >> - 0 0 146 -2,-0.2 4,-1.6 1,-0.1 3,-1.1 -0.581 13.4-121.0 -76.5 138.2 29.8 36.7 60.5 104 107 A R H >> S+ 0 0 91 -2,-0.3 4,-2.2 1,-0.2 3,-0.7 0.899 113.7 50.8 -36.3 -57.7 27.5 39.7 60.7 105 108 A D H 3> S+ 0 0 104 1,-0.2 4,-2.2 2,-0.2 5,-0.3 0.788 105.7 55.7 -59.5 -29.0 30.4 42.0 61.7 106 109 A D H <> S+ 0 0 55 -3,-1.1 4,-0.9 2,-0.2 -1,-0.2 0.832 110.3 46.6 -74.7 -27.8 32.5 40.9 58.7 107 110 A W H S+ 0 0 9 -4,-2.3 4,-2.5 3,-0.2 5,-2.1 0.969 113.3 51.3 -63.1 -50.9 30.0 47.4 53.6 112 115 A D H <>S+ 0 0 44 -4,-3.7 5,-1.7 3,-0.2 -2,-0.2 0.922 120.6 32.1 -52.0 -51.8 30.6 50.4 55.8 113 116 A L H X5S+ 0 0 27 -4,-2.4 4,-0.6 -5,-0.2 5,-0.3 0.987 125.4 39.9 -71.2 -54.3 34.1 51.1 54.5 114 117 A N H <5S+ 0 0 0 -4,-2.0 -3,-0.2 -5,-0.3 -2,-0.2 0.813 136.3 14.8 -71.3 -36.2 33.8 49.9 50.9 115 118 A L T X5S+ 0 0 1 -4,-2.5 4,-1.8 -5,-0.4 3,-0.5 0.817 128.9 47.4-104.3 -57.0 30.3 51.3 50.2 116 119 A G H > S+ 0 0 7 -3,-0.5 4,-2.2 -5,-0.3 -1,-0.2 0.837 109.9 52.8 -78.5 -28.9 32.2 56.3 49.0 119 122 A F H X S+ 0 0 0 -4,-1.8 4,-2.5 -3,-0.3 -2,-0.2 0.980 114.0 44.5 -60.4 -51.6 28.8 57.7 50.0 120 123 A L H X S+ 0 0 5 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.905 117.7 42.3 -61.5 -46.3 30.5 59.8 52.6 121 124 A C H X S+ 0 0 0 -4,-2.9 4,-3.0 -5,-0.2 5,-0.2 0.895 114.0 50.9 -72.9 -36.1 33.4 61.1 50.4 122 125 A S H X S+ 0 0 0 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.898 109.6 52.6 -66.8 -37.2 31.2 61.7 47.4 123 126 A R H X S+ 0 0 31 -4,-2.5 4,-1.6 -5,-0.2 -2,-0.2 0.961 113.5 42.0 -61.4 -48.0 28.9 63.6 49.6 124 127 A A H X S+ 0 0 16 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.927 115.1 49.1 -68.1 -42.3 31.7 65.8 50.9 125 128 A A H X S+ 0 0 0 -4,-3.0 4,-3.2 1,-0.2 -1,-0.2 0.816 104.6 61.5 -66.4 -31.1 33.3 66.2 47.5 126 129 A A H X S+ 0 0 1 -4,-2.2 4,-3.4 2,-0.2 5,-0.3 0.947 100.4 52.8 -55.8 -52.0 29.9 67.1 45.9 127 130 A K H X S+ 0 0 156 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.915 116.6 39.2 -52.5 -51.4 29.6 70.2 48.2 128 131 A I H X S+ 0 0 28 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.903 118.9 46.5 -62.3 -47.6 33.1 71.4 47.0 129 132 A M H X>S+ 0 0 0 -4,-3.2 5,-2.0 1,-0.2 4,-0.9 0.899 107.7 55.7 -65.8 -40.4 32.7 70.4 43.4 130 133 A L H <5S+ 0 0 33 -4,-3.4 3,-0.3 1,-0.2 -1,-0.2 0.850 108.3 47.7 -66.9 -34.0 29.2 71.8 42.9 131 134 A K H <5S+ 0 0 165 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.810 112.9 48.5 -77.4 -24.2 30.3 75.3 44.0 132 135 A Q H <5S- 0 0 48 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.593 104.1-132.1 -77.9 -10.2 33.4 75.1 41.7 133 136 A R T <5S+ 0 0 159 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.834 77.5 72.8 52.0 34.0 31.1 74.0 38.8 134 137 A S < + 0 0 47 -5,-2.0 2,-0.2 -6,-0.2 -2,-0.2 -0.956 44.7 104.1-172.6 157.6 33.8 71.3 38.3 135 138 A G - 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