==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-AUG-07 2Z6J . COMPND 2 MOLECULE: TRANS-2-ENOYL-ACP REDUCTASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR J.SAITO,M.YAMADA,T.WATANABE,Y.TAKEUCHI . 614 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23967.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 447 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 3.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 40 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 218 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.9 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 4 0 5 0 2 5 3 3 4 0 0 0 0 0 0 0 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 4 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 0 PARALLEL BRIDGES PER LADDER . 2 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 4 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 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 M 0 0 57 0, 0.0 2,-0.4 0, 0.0 614,-0.1 0.000 360.0 360.0 360.0 144.9 -16.2 4.2 24.8 2 2 A K - 0 0 129 612,-0.1 2,-0.3 11,-0.0 10,-0.0 -0.999 360.0-175.3-138.1 138.1 -16.0 2.4 21.5 3 3 A T > - 0 0 5 -2,-0.4 4,-1.5 183,-0.0 5,-0.2 -0.828 44.4-105.2-119.5 167.6 -14.1 3.1 18.3 4 4 A R H > S+ 0 0 120 -2,-0.3 4,-1.7 1,-0.2 5,-0.1 0.765 122.6 54.4 -60.6 -23.8 -14.2 1.2 15.0 5 5 A I H > S+ 0 0 0 181,-0.3 4,-2.4 2,-0.2 5,-0.2 0.900 103.3 51.9 -77.7 -44.0 -10.8 -0.3 16.0 6 6 A T H >>S+ 0 0 5 180,-0.3 4,-1.1 1,-0.2 5,-1.1 0.841 116.1 43.4 -58.4 -32.5 -12.0 -1.7 19.3 7 7 A E H <5S+ 0 0 80 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.824 113.7 47.4 -86.7 -35.8 -14.9 -3.4 17.5 8 8 A L H <5S+ 0 0 56 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.893 126.3 31.1 -64.1 -39.6 -13.0 -4.7 14.5 9 9 A L H <5S- 0 0 8 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.583 98.2-132.0-100.3 -14.5 -10.2 -6.1 16.8 10 10 A K T <5 + 0 0 158 -4,-1.1 2,-0.3 -5,-0.2 -3,-0.2 0.924 54.6 145.9 57.7 51.9 -12.3 -7.0 19.9 11 11 A I < - 0 0 12 -5,-1.1 -1,-0.2 -6,-0.2 26,-0.1 -0.886 54.9-133.5-119.9 149.9 -9.8 -5.2 22.3 12 12 A D S S+ 0 0 112 24,-0.7 25,-0.2 -2,-0.3 -1,-0.1 0.825 92.0 35.1 -70.5 -34.8 -10.4 -3.4 25.6 13 13 A Y S S- 0 0 27 23,-2.0 2,-1.7 2,-0.2 -1,-0.1 -0.971 77.1-129.1-124.9 138.2 -8.2 -0.3 24.8 14 14 A P S S+ 0 0 2 0, 0.0 174,-2.2 0, 0.0 2,-0.4 -0.271 72.5 113.9 -79.9 53.2 -7.6 1.3 21.4 15 15 A I E -a 188 0A 5 -2,-1.7 23,-2.7 172,-0.2 2,-0.5 -0.987 48.7-160.4-129.2 129.2 -3.8 1.2 21.8 16 16 A F E -ab 189 38A 0 172,-2.8 174,-2.8 -2,-0.4 2,-0.8 -0.948 18.6-138.3-105.7 129.3 -1.3 -0.9 19.7 17 17 A Q E -a 190 0A 0 21,-2.7 23,-0.3 -2,-0.5 174,-0.2 -0.813 45.1-116.1 -76.0 112.7 2.2 -1.7 21.0 18 18 A G - 0 0 4 172,-2.1 24,-0.1 -2,-0.8 22,-0.1 -0.290 24.4-101.0 -60.5 136.0 3.9 -1.0 17.7 19 19 A G - 0 0 21 22,-0.1 2,-0.4 20,-0.1 22,-0.1 -0.393 48.9-173.7 -53.9 124.0 5.6 -3.9 15.9 20 20 A M > - 0 0 32 20,-0.4 4,-2.0 -2,-0.1 22,-0.5 -0.986 28.0-116.2-134.2 121.0 9.3 -3.4 16.7 21 21 A A T 4 S- 0 0 30 -2,-0.4 2,-1.8 1,-0.2 22,-0.1 -0.349 96.4 -11.9 -50.6 122.4 12.3 -5.3 15.3 22 22 A W T 4 S+ 0 0 145 20,-0.4 -1,-0.2 1,-0.2 3,-0.2 -0.305 132.2 65.6 80.6 -52.3 14.1 -7.2 18.2 23 23 A V T 4 S+ 0 0 5 -2,-1.8 2,-2.3 1,-0.2 178,-0.5 0.953 87.7 68.7 -62.5 -49.9 12.2 -5.3 21.0 24 24 A A < + 0 0 1 -4,-2.0 18,-2.0 4,-0.1 -1,-0.2 -0.396 68.5 143.9 -81.0 69.1 8.8 -6.7 20.2 25 25 A D > - 0 0 26 -2,-2.3 4,-1.8 -3,-0.2 5,-0.2 -0.087 67.3 -78.9 -88.2-164.4 9.2 -10.4 21.1 26 26 A G H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.864 123.2 55.5 -67.9 -40.9 6.6 -12.7 22.8 27 27 A D H > S+ 0 0 44 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.818 113.0 40.8 -66.3 -36.3 6.9 -11.4 26.4 28 28 A L H > S+ 0 0 0 -5,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.914 117.9 46.1 -76.2 -47.7 6.2 -7.8 25.5 29 29 A A H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 10,-0.4 0.782 113.2 53.4 -64.9 -29.9 3.5 -8.5 23.0 30 30 A G H X S+ 0 0 0 -4,-2.2 4,-3.4 2,-0.2 5,-0.2 0.962 108.2 46.8 -65.4 -57.8 2.0 -10.9 25.6 31 31 A A H X S+ 0 0 11 -4,-1.8 4,-2.1 2,-0.2 -2,-0.2 0.854 113.2 50.2 -54.8 -41.5 1.8 -8.4 28.5 32 32 A V H <>S+ 0 0 0 -4,-2.1 5,-2.5 2,-0.2 4,-0.4 0.946 115.5 41.9 -63.5 -49.6 0.3 -5.8 26.2 33 33 A S H ><5S+ 0 0 0 -4,-1.8 3,-1.0 3,-0.2 -2,-0.2 0.896 113.8 53.1 -60.3 -43.1 -2.4 -8.3 24.9 34 34 A K H 3<5S+ 0 0 102 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.873 107.2 51.6 -63.3 -39.6 -2.9 -9.7 28.5 35 35 A A T 3<5S- 0 0 15 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.532 129.0 -96.2 -75.4 -8.6 -3.5 -6.2 29.9 36 36 A G T < 5S+ 0 0 4 -3,-1.0 -23,-2.0 -4,-0.4 -24,-0.7 0.514 89.0 98.5 110.1 6.1 -6.2 -5.5 27.1 37 37 A G S + 0 0 2 26,-1.9 3,-2.1 -2,-0.6 -1,-0.1 0.787 29.8 162.3 -67.2 -30.2 8.9 -9.8 12.4 44 44 A G T 3 S- 0 0 5 1,-0.2 27,-0.4 25,-0.1 30,-0.2 -0.102 70.6 -37.5 43.8-133.8 11.8 -7.5 11.7 45 45 A N T 3 S+ 0 0 94 29,-0.1 -1,-0.2 30,-0.1 -2,-0.1 -0.007 102.3 134.2-103.4 27.0 14.6 -9.2 9.6 46 46 A A < - 0 0 23 -3,-2.1 30,-0.1 1,-0.1 34,-0.1 -0.506 58.3-109.7 -90.3 144.7 14.2 -12.5 11.5 47 47 A P >> - 0 0 35 0, 0.0 4,-1.6 0, 0.0 3,-0.8 -0.258 36.0-104.5 -64.2 157.9 13.9 -16.0 10.0 48 48 A K H 3> S+ 0 0 57 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.764 118.5 58.0 -53.3 -32.6 10.6 -17.9 10.1 49 49 A E H 3> S+ 0 0 141 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.851 105.0 48.6 -73.4 -35.3 11.8 -20.1 13.0 50 50 A V H <> S+ 0 0 72 -3,-0.8 4,-1.5 2,-0.2 -2,-0.2 0.903 112.3 47.7 -67.5 -43.9 12.6 -17.2 15.4 51 51 A V H X S+ 0 0 1 -4,-1.6 4,-2.9 1,-0.2 5,-0.2 0.900 108.1 55.9 -69.0 -38.4 9.2 -15.5 14.8 52 52 A K H X S+ 0 0 72 -4,-1.9 4,-3.5 1,-0.2 -1,-0.2 0.910 103.8 53.9 -58.0 -44.5 7.3 -18.8 15.3 53 53 A A H X S+ 0 0 58 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.890 110.5 47.7 -55.3 -42.3 9.0 -19.2 18.7 54 54 A N H X S+ 0 0 33 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.925 112.9 46.7 -63.3 -49.1 7.6 -15.7 19.5 55 55 A I H X S+ 0 0 0 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.900 114.5 48.9 -57.6 -43.6 4.1 -16.6 18.3 56 56 A D H X S+ 0 0 74 -4,-3.5 4,-0.8 -5,-0.2 -2,-0.2 0.929 110.9 50.4 -61.0 -46.6 4.4 -19.9 20.3 57 57 A K H < S+ 0 0 94 -4,-2.8 4,-0.5 -5,-0.2 3,-0.5 0.895 110.1 49.4 -59.2 -43.9 5.5 -17.9 23.4 58 58 A I H >X S+ 0 0 0 -4,-2.4 4,-2.1 1,-0.2 3,-1.4 0.917 103.5 56.7 -68.2 -44.6 2.6 -15.4 23.2 59 59 A K H 3< S+ 0 0 85 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.742 107.5 51.4 -56.4 -25.2 -0.3 -17.9 22.8 60 60 A S T 3< S+ 0 0 95 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.577 111.7 46.8 -90.4 -13.9 0.8 -19.6 26.1 61 61 A L T <4 S+ 0 0 62 -3,-1.4 2,-0.3 -4,-0.5 -2,-0.2 0.799 123.8 8.9 -91.5 -39.9 0.9 -16.3 28.0 62 62 A T < - 0 0 13 -4,-2.1 -1,-0.3 2,-0.1 -28,-0.1 -0.989 44.6-153.1-147.1 150.1 -2.5 -14.9 26.9 63 63 A D + 0 0 163 -2,-0.3 3,-0.1 -3,-0.1 -4,-0.1 0.487 68.6 107.0 -94.2 -10.0 -5.7 -15.8 25.0 64 64 A K S S- 0 0 87 1,-0.1 -2,-0.1 -34,-0.1 -30,-0.1 -0.220 82.8 -74.3 -73.3 159.1 -6.4 -12.2 24.0 65 65 A P + 0 0 48 0, 0.0 -26,-0.5 0, 0.0 2,-0.3 -0.152 53.0 175.8 -51.7 144.9 -6.0 -10.8 20.4 66 66 A F E -f 39 0B 26 -28,-0.1 25,-0.8 -3,-0.1 24,-0.4 -0.980 16.5-142.0-148.6 155.5 -2.5 -10.1 19.1 67 67 A G E -fg 40 91B 0 -28,-2.4 -26,-2.0 -2,-0.3 2,-0.4 -0.650 6.4-140.7-111.4 168.8 -0.9 -8.9 15.8 68 68 A V E -fg 41 92B 0 23,-1.2 25,-1.5 -28,-0.2 2,-0.5 -0.997 16.7-138.6-129.5 128.4 2.2 -9.8 13.8 69 69 A N E -fg 42 93B 16 -28,-3.7 -26,-1.9 -2,-0.4 2,-0.7 -0.743 9.2-159.2 -87.7 130.2 4.3 -7.1 12.1 70 70 A I E - g 0 94B 6 23,-2.5 25,-1.8 -2,-0.5 2,-0.7 -0.923 5.4-156.7-108.7 108.7 5.7 -7.9 8.6 71 71 A M E > - g 0 95B 35 -2,-0.7 3,-1.7 -27,-0.4 25,-0.2 -0.782 8.0-151.2 -88.4 114.2 8.6 -5.6 7.8 72 72 A L T 3 S+ 0 0 30 23,-2.8 24,-0.1 -2,-0.7 -1,-0.1 0.501 89.0 62.3 -73.6 -8.8 8.7 -5.6 3.9 73 73 A L T 3 S+ 0 0 80 22,-0.3 -1,-0.3 24,-0.1 23,-0.1 0.463 80.2 121.2 -88.8 -3.7 12.5 -5.0 3.5 74 74 A S X - 0 0 12 -3,-1.7 3,-0.9 -30,-0.2 4,-0.2 -0.267 67.0-138.9 -58.3 139.9 13.0 -8.4 5.3 75 75 A P T 3 S+ 0 0 101 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.766 106.6 50.2 -63.9 -23.6 15.0 -11.1 3.4 76 76 A F T 3> S+ 0 0 71 1,-0.2 4,-1.7 2,-0.1 3,-0.4 0.049 70.3 124.2-106.8 22.2 12.4 -13.5 4.8 77 77 A V H <> S+ 0 0 12 -3,-0.9 4,-2.2 1,-0.2 3,-0.3 0.887 73.1 52.4 -52.7 -47.1 9.2 -11.7 3.9 78 78 A E H > S+ 0 0 100 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.897 110.2 49.1 -60.8 -38.5 7.7 -14.6 1.9 79 79 A D H > S+ 0 0 70 -3,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.812 109.2 51.2 -68.3 -31.8 8.2 -16.9 4.9 80 80 A I H X S+ 0 0 3 -4,-1.7 4,-2.0 -3,-0.3 -2,-0.2 0.855 107.7 52.6 -77.7 -34.8 6.6 -14.5 7.4 81 81 A V H X S+ 0 0 0 -4,-2.2 4,-1.3 -5,-0.2 -2,-0.2 0.929 113.3 45.9 -55.0 -49.2 3.5 -14.2 5.2 82 82 A D H X S+ 0 0 38 -4,-1.9 4,-1.9 -5,-0.2 -2,-0.2 0.911 110.3 54.5 -55.5 -48.9 3.4 -18.0 5.2 83 83 A L H X S+ 0 0 2 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.877 104.5 50.3 -62.0 -43.8 3.9 -18.1 9.0 84 84 A V H <>S+ 0 0 0 -4,-2.0 5,-2.1 1,-0.2 -1,-0.2 0.883 112.6 47.5 -65.1 -38.9 1.0 -15.9 10.0 85 85 A I H ><5S+ 0 0 49 -4,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.842 113.0 48.5 -69.7 -37.3 -1.5 -17.8 7.9 86 86 A E H 3<5S+ 0 0 107 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.791 111.5 49.0 -72.9 -30.7 -0.3 -21.2 9.1 87 87 A E T 3<5S- 0 0 49 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.263 111.8-113.4 -99.9 10.5 -0.4 -20.2 12.8 88 88 A G T < 5 + 0 0 38 -3,-0.6 2,-0.3 1,-0.2 -3,-0.2 0.782 49.4 172.5 65.6 31.8 -3.9 -18.7 12.8 89 89 A V < - 0 0 2 -5,-2.1 -1,-0.2 -6,-0.2 -22,-0.1 -0.576 18.7-161.0 -73.5 129.9 -2.9 -15.1 13.5 90 90 A K + 0 0 139 -24,-0.4 22,-2.4 -2,-0.3 2,-0.4 0.752 67.2 43.8 -91.0 -27.4 -5.9 -12.8 13.1 91 91 A V E -gh 67 112B 4 -25,-0.8 -23,-1.2 20,-0.2 2,-0.4 -0.958 58.4-174.2-121.0 140.0 -4.3 -9.4 12.6 92 92 A V E -gh 68 113B 0 20,-2.9 22,-3.0 -2,-0.4 2,-0.3 -0.996 2.5-171.3-129.1 128.5 -1.3 -8.3 10.5 93 93 A T E -gh 69 114B 0 -25,-1.5 -23,-2.5 -2,-0.4 2,-0.3 -0.879 13.4-158.0-107.2 152.8 0.3 -4.9 10.4 94 94 A T E +gh 70 115B 2 20,-1.0 22,-1.6 -2,-0.3 2,-0.3 -0.891 11.9 175.7-127.8 157.3 3.0 -4.0 7.7 95 95 A G E +g 71 0B 12 -25,-1.8 -23,-2.8 -2,-0.3 -22,-0.3 -0.989 51.5 39.0-158.7 163.7 5.8 -1.5 7.3 96 96 A A S S+ 0 0 35 -2,-0.3 2,-0.3 -25,-0.2 -1,-0.1 0.708 111.3 7.0 66.5 26.3 8.8 -0.3 5.2 97 97 A G S S- 0 0 43 19,-0.2 19,-0.1 -25,-0.0 -1,-0.1 -0.977 94.2 -47.6 164.0-172.9 6.9 -0.9 1.9 98 98 A N - 0 0 83 -2,-0.3 3,-0.4 1,-0.1 19,-0.1 -0.797 31.7-173.9 -94.2 114.7 3.9 -1.7 -0.2 99 99 A P >> + 0 0 5 0, 0.0 3,-2.6 0, 0.0 4,-0.6 0.339 48.9 117.5 -86.2 8.9 2.0 -4.8 0.9 100 100 A S G >4 + 0 0 51 1,-0.3 3,-0.6 2,-0.2 4,-0.4 0.746 67.7 57.6 -55.6 -34.6 -0.4 -4.8 -2.1 101 101 A K G 34 S+ 0 0 150 -3,-0.4 -1,-0.3 1,-0.2 4,-0.2 0.615 109.1 48.0 -70.2 -10.4 0.6 -8.2 -3.6 102 102 A Y G <> S+ 0 0 17 -3,-2.6 4,-2.4 2,-0.1 -1,-0.2 0.541 85.7 90.1-103.9 -10.4 -0.3 -9.9 -0.3 103 103 A M H S+ 0 0 127 -4,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.845 113.5 50.0 -73.9 -33.0 -5.8 -11.0 -1.5 105 105 A R H > S+ 0 0 100 -4,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.894 111.8 48.3 -68.7 -43.1 -3.9 -13.9 0.1 106 106 A F H ><>S+ 0 0 3 -4,-2.4 5,-2.8 2,-0.2 3,-0.5 0.906 112.5 47.8 -62.6 -46.0 -4.4 -12.5 3.6 107 107 A H H ><5S+ 0 0 52 -4,-2.1 3,-1.1 1,-0.2 -1,-0.2 0.835 107.1 55.6 -67.8 -32.6 -8.1 -11.8 3.1 108 108 A E H 3<5S+ 0 0 164 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.687 107.2 52.6 -68.5 -20.3 -8.7 -15.3 1.7 109 109 A A T <<5S- 0 0 45 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.442 121.3-113.1 -89.6 -2.7 -7.1 -16.5 5.0 110 110 A G T < 5 + 0 0 58 -3,-1.1 2,-0.2 1,-0.2 -3,-0.2 0.685 65.8 153.7 77.3 21.2 -9.6 -14.3 6.9 111 111 A I < - 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0 0 4 -5,-2.6 -1,-0.2 -6,-0.1 -17,-0.1 -0.335 29.4-145.2 -61.5 139.9 -7.2 -2.6 3.6 132 132 A D S S- 0 0 47 -19,-1.5 2,-0.3 1,-0.3 -18,-0.2 0.709 75.4 -23.8 -79.9 -26.0 -9.2 -2.9 6.8 133 133 A A - 0 0 0 -20,-1.0 2,-0.3 30,-0.2 -1,-0.3 -0.920 63.9-135.5-171.5 166.2 -7.4 0.1 8.4 134 134 A V E - d 0 165A 0 30,-1.7 32,-1.9 -2,-0.3 2,-0.5 -0.931 11.3-129.6-130.1 160.0 -4.1 2.0 8.0 135 135 A I E -cd 116 166A 0 -20,-3.0 -18,-3.0 -2,-0.3 2,-0.8 -0.949 12.8-151.1-109.2 126.7 -1.5 3.4 10.4 136 136 A A E -cd 117 167A 0 30,-3.0 32,-3.1 -2,-0.5 2,-0.6 -0.874 18.6-169.5 -93.1 109.0 -0.3 7.0 9.9 137 137 A E E - d 0 168A 52 -20,-1.0 9,-0.3 -2,-0.8 32,-0.2 -0.905 8.6-145.9-106.1 120.1 3.3 7.1 11.2 138 138 A G > - 0 0 0 30,-2.3 3,-1.8 -2,-0.6 11,-0.3 -0.424 24.5-115.2 -78.0 154.0 5.1 10.5 11.7 139 139 A M T 3 S+ 0 0 11 9,-2.2 10,-0.2 1,-0.3 -1,-0.1 0.580 109.9 73.9 -61.7 -14.4 8.8 11.2 11.1 140 140 A E T 3 S+ 0 0 1 8,-0.1 133,-2.1 29,-0.1 134,-0.3 0.690 79.5 104.9 -71.1 -19.6 9.1 11.9 14.8 141 141 A A S < S- 0 0 8 -3,-1.8 87,-0.2 131,-0.2 130,-0.2 -0.095 80.4-102.8 -56.6 155.9 8.8 8.2 15.5 142 142 A G S S+ 0 0 24 128,-0.1 130,-0.2 130,-0.1 87,-0.2 -0.385 84.5 16.7 -72.0 159.1 11.7 5.9 16.4 143 143 A G E S+I 228 0C 10 85,-1.7 85,-3.0 128,-0.2 2,-0.5 -0.368 114.9 5.6 80.5-150.3 13.2 3.7 13.7 144 144 A H E S-I 227 0C 81 83,-0.2 2,-0.3 -2,-0.1 83,-0.2 -0.586 78.4-170.3 -82.6 120.4 12.8 4.0 9.9 145 145 A I - 0 0 17 81,-1.3 81,-0.1 -2,-0.5 -6,-0.1 -0.758 24.5-144.4-123.1 153.8 10.8 7.1 8.9 146 146 A G - 0 0 34 -9,-0.3 -1,-0.1 -2,-0.3 -27,-0.1 0.038 38.4-102.0 -87.3-156.7 9.1 9.1 6.2 147 147 A K S S+ 0 0 178 -29,-0.2 2,-0.2 2,-0.1 -9,-0.1 0.720 88.0 84.2-107.8 -31.2 9.0 12.9 5.8 148 148 A L S S- 0 0 10 -30,-0.4 -9,-2.2 -11,-0.1 -2,-0.2 -0.498 72.4-126.6 -77.3 146.1 5.6 14.0 7.1 149 149 A T > - 0 0 0 -11,-0.3 4,-2.9 -2,-0.2 5,-0.3 -0.397 23.1-108.8 -83.4 165.1 4.9 14.6 10.8 150 150 A T H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.5 0.928 117.3 55.9 -57.8 -49.2 2.1 13.1 13.0 151 151 A M H > S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.872 120.0 28.8 -48.9 -46.3 0.3 16.4 13.2 152 152 A T H > S+ 0 0 0 2,-0.1 4,-1.6 3,-0.1 -2,-0.2 0.771 120.3 50.1 -93.6 -34.2 0.1 16.8 9.4 153 153 A L H X S+ 0 0 1 -4,-2.9 4,-1.9 2,-0.2 5,-0.3 0.903 111.3 47.5 -71.2 -43.8 0.0 13.2 8.1 154 154 A V H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.920 112.6 50.7 -68.3 -42.2 -2.8 12.0 10.5 155 155 A R H X S+ 0 0 20 -4,-0.7 4,-1.9 -5,-0.5 -1,-0.2 0.963 115.4 40.4 -51.8 -58.0 -5.0 15.0 9.6 156 156 A Q H X S+ 0 0 10 -4,-1.6 4,-1.1 2,-0.2 -1,-0.2 0.732 118.1 47.0 -73.4 -24.3 -4.6 14.6 5.8 157 157 A V H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.907 110.5 50.5 -82.1 -46.4 -4.9 10.8 5.9 158 158 A A H < S+ 0 0 20 -4,-2.7 -2,-0.2 -5,-0.3 3,-0.2 0.914 113.7 50.0 -53.1 -38.7 -8.0 10.7 8.2 159 159 A T H < S+ 0 0 81 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.840 109.7 47.9 -68.5 -37.7 -9.5 13.2 5.8 160 160 A A H < S+ 0 0 20 -4,-1.1 2,-0.3 -3,-0.2 -1,-0.2 0.699 109.6 52.9 -81.3 -20.8 -8.8 11.3 2.6 161 161 A I < - 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0 0 12 -3,-1.3 2,-0.2 -4,-0.4 65,-0.1 -0.325 56.2-139.5 -68.9 151.8 17.6 11.3 26.8 214 214 A R > - 0 0 149 63,-0.0 3,-1.9 1,-0.0 62,-0.2 -0.623 34.3 -95.4 -99.4 168.8 16.5 14.9 26.2 215 215 A D T 3 S+ 0 0 9 1,-0.3 3,-0.3 -2,-0.2 60,-0.2 0.803 125.6 44.7 -49.5 -34.7 14.0 16.2 23.6 216 216 A I T 3 S+ 0 0 62 1,-0.2 -1,-0.3 60,-0.1 57,-0.1 0.314 83.5 97.7 -96.9 3.0 16.9 17.1 21.3 217 217 A D < + 0 0 19 -3,-1.9 14,-2.9 56,-0.1 2,-0.3 0.398 66.4 83.5 -83.2 4.3 19.0 13.9 21.7 218 218 A T E -J 230 0C 14 -3,-0.3 2,-0.3 12,-0.3 12,-0.2 -0.698 53.7-177.6-102.2 161.1 17.8 12.1 18.6 219 219 A T E -J 229 0C 29 10,-2.1 10,-2.0 -2,-0.3 2,-0.5 -0.955 30.4-110.5-147.4 158.8 19.1 12.5 15.0 220 220 A I E -J 228 0C 43 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.879 40.0-171.2 -94.5 121.9 18.2 11.2 11.5 221 221 A S E +J 227 0C 18 6,-3.0 6,-2.1 -2,-0.5 14,-0.1 -0.779 56.2 16.4-113.3 155.9 20.9 8.8 10.1 222 222 A A 0 0 28 -2,-0.3 4,-0.2 4,-0.2 -1,-0.1 0.618 360.0 360.0 65.5 17.4 21.6 7.2 6.7 223 223 A Q 0 0 150 -3,-0.2 3,-0.2 2,-0.2 -1,-0.1 0.842 360.0 360.0 -71.0 360.0 19.2 9.5 4.9 224 ! 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 0.0 225 227 A H 0 0 147 0, 0.0 -2,-0.2 0, 0.0 -4,-0.1 0.000 360.0 360.0 360.0 104.8 17.4 4.0 4.8 226 228 A A - 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