==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-AUG-12 4GGP . COMPND 2 MOLECULE: TRANS-2-ENOYL-COA REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TREPONEMA DENTICOLA; . AUTHOR B.B.BOND-WATTS,A.M.WEEKS,M.C.Y.CHANG . 1588 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 69683.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1090 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 139 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 3.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 . 120 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 563 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 40 2.5 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 12 0 0 0 0 0 4 10 4 2 8 6 2 0 5 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 0 4 12 1 3 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 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 12 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 1 A X 0 0 94 0, 0.0 390,-2.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 107.4 -17.4 -0.1 -31.1 2 2 A I - 0 0 90 388,-0.2 2,-0.7 386,-0.0 388,-0.1 -0.804 360.0-151.7 -90.1 123.3 -18.8 1.0 -27.7 3 3 A V + 0 0 1 -2,-0.6 386,-0.1 386,-0.4 3,-0.0 -0.854 23.4 164.4-105.4 108.6 -21.1 -1.7 -26.3 4 4 A K - 0 0 76 -2,-0.7 2,-0.1 376,-0.1 10,-0.1 -0.817 49.5 -81.3-112.5 156.1 -23.9 -0.5 -24.0 5 5 A P - 0 0 53 0, 0.0 2,-0.6 0, 0.0 10,-0.0 -0.368 38.5-161.9 -64.2 131.3 -26.9 -2.6 -23.0 6 6 A X - 0 0 104 -2,-0.1 7,-3.2 2,-0.0 2,-0.5 -0.933 11.9-175.8-114.4 106.3 -29.7 -2.7 -25.6 7 7 A V E +A 12 0A 44 -2,-0.6 2,-0.3 5,-0.2 5,-0.2 -0.906 12.5 155.2-111.3 123.2 -32.9 -3.9 -24.0 8 8 A R E > +A 11 0A 174 3,-2.2 3,-1.2 -2,-0.5 -2,-0.0 -0.994 68.4 11.0-143.9 143.7 -36.1 -4.5 -26.0 9 9 A N T 3 S- 0 0 161 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.874 130.7 -63.9 53.8 39.6 -39.1 -6.7 -25.2 10 10 A N T 3 S+ 0 0 77 1,-0.2 2,-0.4 -3,-0.1 -1,-0.2 0.755 115.0 113.8 56.6 29.1 -37.7 -7.1 -21.7 11 11 A I E < -A 8 0A 49 -3,-1.2 -3,-2.2 271,-0.1 2,-0.7 -0.996 68.8-130.3-131.3 132.3 -34.6 -8.8 -23.2 12 12 A C E -A 7 0A 11 -2,-0.4 -5,-0.2 -5,-0.2 -3,-0.0 -0.746 23.1-165.8 -79.8 115.2 -31.0 -7.7 -23.2 13 13 A L + 0 0 102 -7,-3.2 2,-0.2 -2,-0.7 -1,-0.2 0.766 60.8 37.1 -80.8 -28.1 -30.0 -8.1 -26.8 14 14 A N - 0 0 10 -8,-0.4 2,-0.3 -10,-0.1 76,-0.0 -0.493 65.2-143.5-116.5-174.8 -26.3 -7.8 -26.6 15 15 A A - 0 0 0 -2,-0.2 364,-0.2 364,-0.1 74,-0.1 -0.992 14.3-128.1-150.4 153.3 -23.4 -8.7 -24.3 16 16 A H > - 0 0 6 362,-2.4 4,-2.7 -2,-0.3 5,-0.2 -0.922 15.9-155.8-107.7 115.4 -20.1 -7.3 -23.0 17 17 A P H > S+ 0 0 0 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.888 93.1 40.1 -58.5 -49.4 -17.1 -9.8 -23.4 18 18 A Q H > S+ 0 0 61 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.832 115.0 54.6 -72.0 -31.4 -14.8 -8.4 -20.8 19 19 A G H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 360,-0.2 0.917 107.0 49.2 -64.7 -45.5 -17.8 -7.8 -18.4 20 20 A C H X S+ 0 0 3 -4,-2.7 4,-1.8 358,-0.3 -1,-0.2 0.881 112.8 50.2 -59.2 -37.8 -18.9 -11.5 -18.7 21 21 A K H X S+ 0 0 52 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.903 108.2 49.4 -67.8 -46.8 -15.3 -12.4 -18.0 22 22 A K H X S+ 0 0 52 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.880 108.9 56.4 -60.0 -37.6 -15.0 -10.2 -14.9 23 23 A G H X S+ 0 0 21 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.918 109.0 44.1 -60.1 -47.3 -18.2 -11.8 -13.8 24 24 A V H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.925 113.0 51.5 -63.5 -46.2 -16.8 -15.3 -14.0 25 25 A E H X S+ 0 0 59 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.854 106.9 54.2 -60.0 -36.4 -13.6 -14.3 -12.3 26 26 A D H X S+ 0 0 71 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.888 109.1 47.9 -65.0 -39.6 -15.5 -12.7 -9.4 27 27 A Q H X S+ 0 0 40 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.882 111.2 51.1 -67.2 -38.7 -17.4 -15.9 -8.8 28 28 A I H X S+ 0 0 10 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.928 110.1 49.2 -62.6 -45.5 -14.1 -17.8 -8.9 29 29 A E H X S+ 0 0 92 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.920 111.5 48.5 -62.3 -44.6 -12.6 -15.5 -6.4 30 30 A Y H X S+ 0 0 75 -4,-2.2 4,-2.3 1,-0.2 3,-0.2 0.909 109.7 53.7 -59.1 -43.2 -15.5 -15.8 -4.0 31 31 A T H X S+ 0 0 0 -4,-2.2 4,-3.2 1,-0.2 -2,-0.2 0.908 105.6 52.5 -59.9 -43.3 -15.4 -19.6 -4.4 32 32 A K H < S+ 0 0 90 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.821 114.9 42.2 -62.1 -33.0 -11.7 -19.7 -3.4 33 33 A K H < S+ 0 0 138 -4,-1.4 -1,-0.2 -3,-0.2 3,-0.2 0.788 118.9 44.6 -83.7 -29.2 -12.5 -17.6 -0.2 34 34 A R H < S+ 0 0 30 -4,-2.3 2,-1.1 1,-0.2 -2,-0.2 0.889 110.1 52.3 -82.9 -43.8 -15.7 -19.6 0.6 35 35 A I S < S+ 0 0 5 -4,-3.2 -1,-0.2 -5,-0.2 2,-0.1 -0.706 81.0 164.7 -98.8 83.1 -14.5 -23.1 -0.0 36 36 A T > - 0 0 43 -2,-1.1 4,-1.9 -3,-0.2 5,-0.2 -0.260 54.7 -92.8 -93.0 179.4 -11.4 -23.2 2.2 37 37 A A H > S+ 0 0 69 1,-0.2 4,-2.6 2,-0.2 -1,-0.1 0.883 127.1 50.1 -59.2 -40.4 -9.2 -26.1 3.5 38 38 A E H 4 S+ 0 0 82 2,-0.2 -1,-0.2 1,-0.2 1100,-0.1 0.888 108.3 52.2 -66.8 -40.5 -11.3 -26.1 6.7 39 39 A V H 4 S+ 0 0 10 1,-0.2 -1,-0.2 -5,-0.1 -2,-0.2 0.868 118.7 37.0 -63.0 -36.0 -14.6 -26.3 4.8 40 40 A K H >< S+ 0 0 74 -4,-1.9 3,-2.1 2,-0.1 2,-0.2 0.796 91.3 104.5 -85.8 -31.2 -13.3 -29.2 2.8 41 41 A A T 3< S+ 0 0 45 -4,-2.6 3,-0.1 1,-0.3 281,-0.0 -0.348 91.5 11.2 -62.0 117.2 -11.3 -31.1 5.5 42 42 A G T 3 S+ 0 0 46 1,-0.4 2,-0.3 -2,-0.2 -1,-0.3 0.351 110.6 95.3 99.7 -4.5 -13.2 -34.1 6.7 43 43 A A S < S- 0 0 23 -3,-2.1 -1,-0.4 1,-0.1 279,-0.1 -0.777 77.7-106.3-110.6 160.8 -15.8 -34.1 4.0 44 44 A K - 0 0 163 277,-0.4 -1,-0.1 -2,-0.3 280,-0.0 -0.296 34.8-149.4 -71.4 168.0 -16.0 -36.0 0.7 45 45 A A - 0 0 29 -2,-0.1 2,-0.2 26,-0.0 21,-0.0 -0.993 17.1-109.1-141.7 147.7 -15.3 -34.1 -2.6 46 46 A P - 0 0 2 0, 0.0 3,-0.1 0, 0.0 91,-0.0 -0.541 30.0-179.1 -73.0 144.1 -16.6 -34.4 -6.2 47 47 A K + 0 0 126 1,-0.3 26,-2.7 -2,-0.2 2,-0.5 0.779 69.2 22.8-112.3 -48.5 -13.9 -35.6 -8.6 48 48 A N E S-b 73 0B 41 24,-0.2 90,-2.2 88,-0.2 91,-1.3 -0.978 74.8-171.9-125.9 119.9 -15.4 -35.7 -12.1 49 49 A V E -bc 74 139B 1 24,-3.0 26,-2.6 -2,-0.5 2,-0.5 -0.914 15.6-161.0-121.0 133.3 -18.4 -33.5 -12.7 50 50 A L E -bc 75 140B 0 89,-2.4 91,-3.1 -2,-0.4 2,-0.5 -0.957 11.2-170.2-107.6 125.6 -20.9 -33.2 -15.6 51 51 A V E > -bc 76 141B 0 24,-2.4 26,-2.5 -2,-0.5 2,-0.7 -0.934 8.4-159.5-120.1 109.4 -22.9 -29.9 -15.7 52 52 A L E 3 S+bc 77 142B 0 89,-3.0 91,-3.0 -2,-0.5 26,-0.2 -0.790 86.8 21.8 -86.0 113.3 -25.7 -29.7 -18.2 53 53 A G T 3 S+ 0 0 5 24,-3.2 3,-0.5 -2,-0.7 -1,-0.2 0.842 78.8 160.9 93.0 52.9 -26.4 -26.0 -18.8 54 54 A C < + 0 0 0 23,-1.7 24,-0.1 -3,-0.5 9,-0.1 0.400 49.0 76.1 -88.9 -1.4 -23.0 -24.8 -17.7 55 55 A S S S+ 0 0 4 22,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.610 96.5 18.1 -95.1 -13.5 -22.8 -21.3 -19.2 56 56 A N S >> S- 0 0 77 -3,-0.5 4,-1.8 39,-0.1 3,-0.9 -0.956 101.4 -10.1-148.8 167.7 -25.1 -19.2 -17.0 57 57 A G H 3> S- 0 0 29 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 -0.059 121.1 -4.2 50.6-130.8 -26.8 -18.9 -13.6 58 58 A Y H 3> S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.806 133.9 55.7 -68.8 -34.5 -26.9 -21.9 -11.3 59 59 A G H <> S+ 0 0 0 -3,-0.9 4,-1.9 84,-0.2 -2,-0.2 0.949 109.3 45.9 -63.5 -48.9 -25.2 -24.2 -13.9 60 60 A L H X S+ 0 0 5 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.898 113.5 49.7 -59.9 -42.5 -22.2 -21.9 -14.2 61 61 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.864 108.3 53.9 -65.6 -36.9 -21.9 -21.5 -10.5 62 62 A S H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.879 110.3 46.7 -65.1 -37.5 -22.1 -25.3 -10.0 63 63 A R H X S+ 0 0 0 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.889 113.4 48.0 -72.0 -39.4 -19.2 -25.7 -12.5 64 64 A I H X>S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.8 0.884 111.9 49.7 -67.7 -40.5 -17.1 -23.0 -10.8 65 65 A T H X>S+ 0 0 0 -4,-2.5 5,-1.2 3,-0.2 4,-1.1 0.928 113.5 46.1 -65.2 -44.8 -17.8 -24.4 -7.3 66 66 A A H X5S+ 0 0 0 -4,-2.0 6,-2.3 3,-0.2 4,-0.8 0.952 122.8 34.1 -60.6 -49.4 -16.8 -27.9 -8.4 67 67 A A H X5S+ 0 0 3 -4,-2.3 4,-1.0 4,-0.2 -2,-0.2 0.955 130.4 27.1 -76.2 -53.9 -13.6 -26.9 -10.2 68 68 A F H <5S+ 0 0 18 -4,-2.4 -3,-0.2 -5,-0.3 -2,-0.1 0.666 127.9 43.3 -92.1 -16.8 -12.3 -23.9 -8.2 69 69 A G H <> - 0 0 32 -9,-1.8 4,-1.2 -2,-0.1 3,-1.1 -0.481 40.3-110.5 -72.5 155.5 -24.4 -15.0 -26.4 91 91 A P H 3> S+ 0 0 29 0, 0.0 4,-2.3 0, 0.0 3,-0.3 0.891 118.4 60.2 -54.2 -40.2 -23.3 -14.1 -22.8 92 92 A G H 3> S+ 0 0 4 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.770 97.9 58.9 -60.9 -27.3 -22.9 -17.9 -22.1 93 93 A W H <> S+ 0 0 41 -3,-1.1 4,-1.8 -12,-0.2 -1,-0.2 0.925 108.7 43.0 -67.5 -45.0 -20.3 -18.1 -24.9 94 94 A Y H X S+ 0 0 0 -4,-1.2 4,-2.4 -3,-0.3 -2,-0.2 0.859 112.2 55.5 -67.6 -35.8 -18.1 -15.6 -23.2 95 95 A N H X S+ 0 0 13 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.934 107.7 48.1 -60.5 -48.3 -18.7 -17.2 -19.9 96 96 A N H X S+ 0 0 7 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.899 111.4 50.6 -58.1 -43.6 -17.5 -20.6 -21.2 97 97 A L H X S+ 0 0 56 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.933 111.7 47.2 -61.0 -47.1 -14.4 -19.0 -22.7 98 98 A A H X S+ 0 0 7 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.882 114.0 48.8 -60.9 -39.7 -13.6 -17.3 -19.4 99 99 A F H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.952 111.9 46.0 -66.4 -51.3 -14.1 -20.5 -17.5 100 100 A D H X S+ 0 0 31 -4,-2.9 4,-2.3 1,-0.2 -2,-0.2 0.878 113.1 51.9 -60.7 -37.7 -12.0 -22.7 -19.8 101 101 A E H X S+ 0 0 96 -4,-2.3 4,-2.1 -5,-0.3 -1,-0.2 0.928 112.7 43.1 -65.6 -45.8 -9.2 -20.1 -19.7 102 102 A A H X S+ 0 0 5 -4,-2.1 4,-1.2 2,-0.2 -2,-0.2 0.897 113.1 53.5 -65.9 -40.2 -9.1 -19.8 -15.9 103 103 A A H X>S+ 0 0 0 -4,-2.8 5,-2.9 1,-0.2 4,-0.7 0.924 111.1 45.8 -59.4 -45.5 -9.4 -23.6 -15.6 104 104 A K H ><5S+ 0 0 103 -4,-2.3 3,-0.8 1,-0.2 -1,-0.2 0.881 108.7 55.9 -65.0 -39.4 -6.4 -24.0 -17.9 105 105 A R H 3<5S+ 0 0 149 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.755 112.1 44.4 -65.7 -22.9 -4.5 -21.3 -16.0 106 106 A E H 3<5S- 0 0 92 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.514 115.6-113.9 -98.4 -9.0 -5.0 -23.4 -12.9 107 107 A G T <<5 + 0 0 67 -3,-0.8 2,-0.4 -4,-0.7 -3,-0.2 0.818 66.3 144.6 78.6 31.7 -4.2 -26.7 -14.4 108 108 A L < - 0 0 32 -5,-2.9 2,-0.4 -6,-0.1 -1,-0.3 -0.856 55.4-114.8-102.1 138.6 -7.6 -28.1 -14.1 109 109 A Y + 0 0 59 -2,-0.4 -35,-1.8 -42,-0.1 2,-0.3 -0.581 47.5 162.9 -68.7 124.6 -9.1 -30.5 -16.7 110 110 A S E +d 74 0B 9 -2,-0.4 2,-0.4 -37,-0.2 -35,-0.2 -0.967 16.0 179.4-148.6 129.6 -12.1 -28.7 -18.3 111 111 A V E -d 75 0B 33 -37,-2.0 -35,-2.0 -2,-0.3 2,-0.5 -0.984 10.8-158.6-134.6 124.9 -13.9 -29.5 -21.5 112 112 A T E -d 76 0B 36 -2,-0.4 2,-0.6 -37,-0.2 -35,-0.2 -0.878 2.4-161.1-105.4 126.7 -16.9 -27.5 -22.9 113 113 A I E -d 77 0B 3 -37,-3.3 -35,-1.9 -2,-0.5 2,-0.6 -0.933 8.3-155.5-110.2 116.5 -19.2 -29.1 -25.4 114 114 A D E +d 78 0B 68 -2,-0.6 2,-0.3 -37,-0.2 -35,-0.2 -0.801 46.2 76.5 -95.6 119.8 -21.3 -26.6 -27.3 115 115 A G S S- 0 0 8 -37,-1.7 2,-0.7 -2,-0.6 -2,-0.1 -0.946 86.2 -40.6 165.7 177.0 -24.6 -27.9 -28.7 116 116 A D > - 0 0 39 -2,-0.3 3,-1.8 1,-0.2 6,-0.5 -0.532 42.9-162.6 -66.9 108.4 -28.2 -28.9 -28.2 117 117 A A T 3 S+ 0 0 5 -2,-0.7 -1,-0.2 1,-0.3 6,-0.1 0.672 87.4 65.0 -69.6 -15.5 -28.1 -30.8 -24.9 118 118 A F T 3 S+ 0 0 10 4,-0.0 2,-0.3 33,-0.0 -1,-0.3 0.512 89.7 91.3 -80.7 -4.4 -31.5 -32.4 -25.7 119 119 A S S <> S- 0 0 16 -3,-1.8 4,-1.8 1,-0.1 3,-0.3 -0.685 74.9-138.1-101.1 146.2 -29.9 -34.2 -28.7 120 120 A D H > S+ 0 0 48 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.760 103.4 67.3 -68.8 -24.0 -28.4 -37.6 -28.8 121 121 A E H > S+ 0 0 142 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.940 105.1 40.4 -60.4 -47.9 -25.6 -36.1 -30.9 122 122 A I H > S+ 0 0 12 -6,-0.5 4,-2.0 -3,-0.3 -2,-0.2 0.904 113.7 53.4 -68.2 -41.7 -24.4 -34.1 -28.0 123 123 A K H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -2,-0.2 0.921 108.1 51.2 -58.0 -44.5 -24.9 -37.0 -25.5 124 124 A A H X S+ 0 0 44 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.861 107.7 54.5 -60.2 -34.3 -22.8 -39.2 -27.7 125 125 A Q H X S+ 0 0 104 -4,-1.3 4,-1.4 2,-0.2 -1,-0.2 0.853 109.1 45.5 -72.4 -34.8 -20.1 -36.5 -27.7 126 126 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.944 111.9 53.5 -67.1 -48.0 -20.0 -36.4 -23.9 127 127 A I H X S+ 0 0 6 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.894 110.5 45.1 -54.5 -46.0 -19.9 -40.2 -23.7 128 128 A E H X S+ 0 0 102 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.852 111.7 52.9 -70.3 -33.6 -17.0 -40.5 -26.1 129 129 A E H X S+ 0 0 35 -4,-1.4 4,-1.8 -5,-0.2 -2,-0.2 0.910 111.0 47.5 -65.0 -41.1 -15.1 -37.8 -24.3 130 130 A A H X>S+ 0 0 0 -4,-2.6 5,-2.3 1,-0.2 4,-1.3 0.924 109.6 51.5 -66.9 -45.0 -15.6 -39.6 -21.0 131 131 A K H <5S+ 0 0 111 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.806 109.6 52.1 -64.0 -29.7 -14.5 -43.0 -22.4 132 132 A K H <5S+ 0 0 161 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.940 113.7 39.9 -71.3 -48.2 -11.3 -41.4 -23.8 133 133 A K H <5S- 0 0 121 -4,-1.8 -2,-0.2 -5,-0.1 -1,-0.2 0.614 111.2-117.4 -77.1 -12.5 -10.1 -39.7 -20.6 134 134 A G T <5 + 0 0 64 -4,-1.3 2,-0.3 1,-0.2 -3,-0.2 0.798 58.3 162.2 77.5 31.4 -11.2 -42.7 -18.4 135 135 A I < - 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