==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-SEP-12 4HCJ . COMPND 2 MOLECULE: THIJ/PFPI DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BRACHYSPIRA MURDOCHII; . AUTHOR Y.KIM,L.BIGELOW,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTER FO . 173 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 17.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 5.8 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 11 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 16.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 42 24.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 0 0 1 1 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 0 3 1 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 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 . 1 1 0 0 0 1 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 2 A G 0 0 104 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 25.7 -5.5 37.3 26.8 2 3 A K + 0 0 58 171,-0.4 65,-0.1 1,-0.1 62,-0.0 -0.553 360.0 179.2 -75.7 137.0 -5.3 38.0 23.1 3 4 A T - 0 0 39 -2,-0.3 30,-0.2 2,-0.2 -1,-0.1 0.549 33.9-131.5-114.5 -17.5 -4.1 41.5 22.3 4 5 A N + 0 0 76 1,-0.2 29,-2.1 28,-0.1 2,-0.4 0.814 69.1 125.2 57.5 32.8 -3.9 41.8 18.5 5 6 A N E -a 33 0A 46 27,-0.2 62,-3.1 2,-0.0 63,-0.7 -0.952 44.8-162.2-123.0 143.9 -0.4 43.3 19.0 6 7 A I E -ab 34 68A 0 27,-2.7 29,-1.9 -2,-0.4 2,-0.5 -0.982 8.2-148.4-125.6 135.0 2.9 42.1 17.5 7 8 A L E -ab 35 69A 0 61,-2.6 63,-2.8 -2,-0.4 2,-0.4 -0.887 6.6-153.8-101.2 130.4 6.4 43.0 18.8 8 9 A Y E -ab 36 70A 0 27,-2.9 29,-2.6 -2,-0.5 2,-0.4 -0.817 2.5-162.6 -93.5 144.4 9.5 43.4 16.6 9 10 A V E +ab 37 71A 1 61,-2.7 63,-2.2 -2,-0.4 2,-0.3 -0.998 33.4 138.6-118.6 122.3 13.0 42.8 17.8 10 11 A X - 0 0 1 27,-1.7 29,-0.2 -2,-0.4 2,-0.2 -0.988 54.6 -84.8-159.5 162.6 15.6 44.3 15.5 11 12 A S - 0 0 4 62,-0.3 4,-0.4 -2,-0.3 66,-0.1 -0.527 32.6-132.3 -72.0 140.7 18.8 46.3 15.3 12 13 A G S S+ 0 0 5 -2,-0.2 33,-2.4 64,-0.1 2,-0.4 0.724 93.8 36.9 -68.4 -24.7 18.5 50.0 15.4 13 14 A Q E S+g 45 0B 94 31,-0.2 33,-0.2 1,-0.1 34,-0.1 -0.995 122.0 10.3-128.4 142.6 20.8 50.4 12.4 14 15 A N E S+ 0 0 71 31,-2.2 62,-2.6 -2,-0.4 63,-0.4 0.727 74.3 157.9 66.1 30.5 21.0 48.1 9.3 15 16 A F E -g 46 0B 0 30,-0.6 32,-2.7 -4,-0.4 2,-0.9 -0.403 58.4 -90.1 -68.4 159.3 17.9 46.0 9.9 16 17 A Q > - 0 0 27 57,-1.7 4,-1.6 30,-0.2 3,-0.4 -0.633 38.0-154.4 -79.6 107.8 16.6 44.4 6.8 17 18 A D H > S+ 0 0 14 -2,-0.9 4,-2.9 1,-0.2 5,-0.4 0.873 87.6 48.9 -52.0 -49.2 14.1 46.9 5.4 18 19 A E H >>S+ 0 0 55 1,-0.2 4,-1.9 2,-0.2 5,-0.7 0.891 107.2 55.3 -64.1 -38.7 11.9 44.5 3.4 19 20 A E H >5S+ 0 0 2 -3,-0.4 4,-0.7 3,-0.2 -1,-0.2 0.904 118.2 34.8 -61.0 -41.1 11.5 42.1 6.3 20 21 A Y H X5S+ 0 0 3 -4,-1.6 4,-2.6 -3,-0.2 -2,-0.2 0.967 122.9 39.6 -75.4 -60.4 10.2 44.9 8.6 21 22 A F H X5S+ 0 0 72 -4,-2.9 4,-1.7 1,-0.2 -3,-0.2 0.886 117.8 46.4 -65.9 -40.3 8.2 47.2 6.2 22 23 A E H X5S+ 0 0 63 -4,-1.9 4,-1.3 -5,-0.4 -1,-0.2 0.894 116.1 44.9 -71.7 -36.8 6.6 44.4 4.1 23 24 A S H XS+ 0 0 0 -4,-3.0 5,-2.7 1,-0.2 3,-0.3 0.950 113.8 46.2 -60.0 -46.4 0.2 42.6 10.0 28 29 A E H ><5S+ 0 0 100 -4,-2.9 3,-2.4 1,-0.2 -2,-0.2 0.943 108.3 54.1 -61.8 -49.3 -1.5 46.0 10.2 29 30 A S H 3<5S+ 0 0 110 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.810 107.8 53.2 -55.8 -29.0 -4.0 45.3 7.4 30 31 A A T 3<5S- 0 0 42 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.469 126.6 -99.5 -86.1 -2.5 -4.9 42.2 9.4 31 32 A G T < 5S+ 0 0 42 -3,-2.4 2,-0.7 -4,-0.3 -3,-0.2 0.554 81.3 130.8 96.8 10.7 -5.6 44.1 12.6 32 33 A Y < - 0 0 3 -5,-2.7 2,-0.3 -6,-0.2 -27,-0.2 -0.862 46.6-149.5-101.0 109.0 -2.3 43.4 14.4 33 34 A K E -a 5 0A 157 -29,-2.1 -27,-2.7 -2,-0.7 2,-0.3 -0.550 17.3-145.2 -78.2 139.3 -0.8 46.6 15.7 34 35 A T E -a 6 0A 18 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.754 17.9-173.2-112.6 150.0 3.0 46.6 15.8 35 36 A K E -a 7 0A 83 -29,-1.9 -27,-2.9 -2,-0.3 2,-0.5 -0.954 18.8-134.6-130.2 155.4 5.7 48.0 18.1 36 37 A V E -a 8 0A 0 -2,-0.3 20,-2.1 17,-0.2 19,-1.5 -0.949 15.2-168.1-111.5 130.2 9.5 48.0 17.6 37 38 A S E +ac 9 56A 0 -29,-2.6 -27,-1.7 -2,-0.5 2,-0.2 -0.919 24.0 137.3-110.5 144.1 11.9 47.1 20.4 38 39 A S E - c 0 57A 0 18,-2.0 20,-1.5 -2,-0.4 -27,-0.1 -0.795 64.7 -68.9-159.4-159.2 15.7 47.7 20.1 39 40 A T S S+ 0 0 62 -29,-0.2 2,-0.3 -2,-0.2 18,-0.1 0.546 109.1 20.7 -91.4 -7.9 18.6 49.0 22.0 40 41 A F S S- 0 0 70 16,-0.2 2,-0.6 2,-0.1 16,-0.1 -0.977 78.4-109.4-151.8 159.7 17.6 52.6 22.3 41 42 A I S S+ 0 0 94 -2,-0.3 2,-0.3 14,-0.1 14,-0.1 -0.836 80.3 58.8 -93.1 120.3 14.5 54.8 22.0 42 43 A G E S- H 0 54B 24 -2,-0.6 12,-3.1 12,-0.5 2,-0.5 -0.987 91.4 -16.6 156.1-158.5 14.6 56.8 18.9 43 44 A T E - H 0 53B 71 -2,-0.3 2,-0.3 10,-0.2 10,-0.2 -0.652 50.4-158.3 -89.3 123.4 14.8 56.5 15.1 44 45 A A E - H 0 52B 0 8,-3.3 8,-1.8 -2,-0.5 2,-0.4 -0.661 5.7-155.0 -89.7 151.0 16.0 53.3 13.5 45 46 A Q E -gH 13 51B 88 -33,-2.4 -31,-2.2 -2,-0.3 -30,-0.6 -0.990 9.1-136.6-134.3 128.5 17.4 53.1 10.0 46 47 A G E > -g 15 0B 0 4,-2.8 3,-1.9 -2,-0.4 -30,-0.2 -0.250 31.1-102.6 -75.8 164.5 17.4 50.1 7.7 47 48 A K T 3 S+ 0 0 118 -32,-2.7 -31,-0.1 1,-0.3 -1,-0.1 0.857 125.4 46.5 -48.0 -40.1 20.2 48.9 5.5 48 49 A L T 3 S- 0 0 109 -33,-0.4 -1,-0.3 2,-0.1 -32,-0.1 0.285 127.0 -96.8 -96.1 11.2 18.4 50.5 2.6 49 50 A G S < S+ 0 0 37 -3,-1.9 2,-0.3 1,-0.3 -2,-0.1 0.341 73.7 143.1 96.9 -3.7 17.7 53.8 4.3 50 51 A G - 0 0 21 -5,-0.1 -4,-2.8 1,-0.0 -1,-0.3 -0.526 35.8-149.5 -75.2 134.1 14.1 53.3 5.5 51 52 A X E +H 45 0B 122 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.679 23.7 160.8-105.4 152.4 13.4 54.8 8.9 52 53 A T E -H 44 0B 21 -8,-1.8 -8,-3.3 -2,-0.3 2,-0.3 -0.971 37.4-106.1-157.2 154.5 11.0 53.9 11.7 53 54 A N E -H 43 0B 98 -2,-0.3 2,-0.6 -10,-0.2 -17,-0.2 -0.673 23.9-129.3 -90.2 146.5 10.8 54.8 15.3 54 55 A I E -H 42 0B 6 -12,-3.1 -12,-0.5 -2,-0.3 -17,-0.2 -0.810 20.3-172.4 -88.7 120.7 11.7 52.4 18.1 55 56 A D + 0 0 79 -19,-1.5 2,-0.3 -2,-0.6 -18,-0.2 0.785 62.1 22.8 -82.1 -34.9 8.9 52.2 20.7 56 57 A L E -c 37 0A 28 -20,-2.1 -18,-2.0 -16,-0.1 2,-0.2 -0.979 66.0-124.9-139.9 145.0 10.5 50.1 23.4 57 58 A L E > -c 38 0A 47 -2,-0.3 3,-1.9 -20,-0.2 4,-0.4 -0.595 39.4-113.0 -75.1 154.2 13.8 49.0 24.9 58 59 A F G > S+ 0 0 8 -20,-1.5 3,-1.7 1,-0.3 -1,-0.1 0.910 120.9 58.8 -50.7 -41.1 14.2 45.3 25.1 59 60 A S G 3 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.0 -20,-0.0 0.624 100.4 55.9 -67.6 -13.9 14.2 45.8 28.8 60 61 A E G < S+ 0 0 96 -3,-1.9 2,-0.3 2,-0.0 -1,-0.3 0.409 79.7 118.7 -95.7 -1.8 10.7 47.4 28.6 61 62 A V < - 0 0 20 -3,-1.7 2,-0.5 -4,-0.4 3,-0.0 -0.503 41.6-171.0 -75.0 130.3 9.0 44.5 26.9 62 63 A D > - 0 0 79 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.983 15.6-151.0-117.5 116.4 6.2 42.8 28.7 63 64 A A G > S+ 0 0 5 -2,-0.5 3,-1.8 1,-0.3 -1,-0.1 0.767 91.1 71.1 -58.5 -26.4 5.0 39.6 27.0 64 65 A V G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.0 -3,-0.0 0.709 93.1 58.6 -64.4 -17.4 1.5 40.1 28.3 65 66 A E G < S+ 0 0 94 -3,-2.0 2,-0.3 -61,-0.0 -1,-0.3 0.382 104.6 54.9 -93.5 3.1 1.1 43.0 25.9 66 67 A F < - 0 0 1 -3,-1.8 -60,-0.2 -4,-0.1 3,-0.1 -0.968 54.9-156.4-138.8 152.1 1.8 41.0 22.7 67 68 A D S S+ 0 0 9 -62,-3.1 32,-2.2 -2,-0.3 2,-0.3 0.630 84.7 9.6 -93.7 -21.3 0.6 37.9 20.9 68 69 A A E -bd 6 99A 0 -63,-0.7 -61,-2.6 30,-0.2 2,-0.4 -0.987 58.5-141.3-155.1 153.8 3.9 37.4 19.0 69 70 A V E -bd 7 100A 0 30,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.961 16.2-159.4-118.7 141.3 7.5 38.5 18.7 70 71 A V E -bd 8 101A 0 -63,-2.8 -61,-2.7 -2,-0.4 2,-0.7 -0.980 5.4-153.0-124.7 116.7 9.2 38.8 15.3 71 72 A F E -bd 9 102A 0 30,-2.9 32,-2.4 -2,-0.5 2,-0.3 -0.814 16.5-156.4 -90.6 111.4 13.0 38.8 15.0 72 73 A V - 0 0 1 -63,-2.2 -61,-0.3 -2,-0.7 32,-0.1 -0.661 6.6-154.2 -89.8 144.1 14.0 40.8 12.0 73 74 A G + 0 0 0 -2,-0.3 -57,-1.7 30,-0.3 -62,-0.3 0.345 32.0 130.2 -92.1-138.1 17.3 40.2 10.2 74 75 A G S > S- 0 0 3 -59,-0.3 3,-1.9 1,-0.1 4,-0.5 -0.119 78.3 -70.6 95.4 161.9 19.7 42.2 8.1 75 76 A I G > S+ 0 0 108 1,-0.3 3,-1.3 2,-0.2 4,-0.3 0.842 131.5 62.3 -57.9 -32.9 23.4 42.7 8.5 76 77 A G G > S+ 0 0 7 -62,-2.6 3,-1.2 1,-0.2 -1,-0.3 0.758 88.3 72.1 -64.4 -22.6 22.8 44.8 11.7 77 78 A C G X> S+ 0 0 0 -3,-1.9 3,-2.5 -63,-0.4 4,-0.6 0.776 78.1 76.4 -63.7 -25.6 21.1 41.8 13.3 78 79 A I G X4 S+ 0 0 85 -3,-1.3 3,-1.0 -4,-0.5 4,-0.4 0.855 86.2 62.4 -56.6 -31.4 24.6 40.1 13.7 79 80 A T G <4 S+ 0 0 110 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.666 107.1 44.8 -64.9 -18.0 25.2 42.5 16.6 80 81 A L G X4 S+ 0 0 4 -3,-2.5 3,-1.4 -4,-0.2 -1,-0.2 0.456 85.1 93.7-104.4 -5.6 22.2 40.9 18.4 81 82 A W T << S+ 0 0 20 -3,-1.0 -2,-0.1 -4,-0.6 -1,-0.1 0.843 96.5 31.7 -60.6 -39.7 23.0 37.3 17.8 82 83 A D T 3 S+ 0 0 134 -4,-0.4 2,-0.5 -3,-0.1 -1,-0.3 0.158 90.8 123.8-103.7 17.7 24.9 36.7 21.0 83 84 A D <> - 0 0 28 -3,-1.4 4,-2.1 1,-0.1 5,-0.3 -0.674 54.8-149.3 -87.3 125.1 23.0 39.2 23.1 84 85 A W H > S+ 0 0 201 -2,-0.5 4,-1.9 1,-0.2 -1,-0.1 0.765 94.9 58.5 -62.6 -25.3 21.4 37.7 26.2 85 86 A R H > S+ 0 0 87 2,-0.2 4,-1.9 3,-0.2 -1,-0.2 0.920 108.2 41.7 -72.6 -45.2 18.5 40.2 26.0 86 87 A T H > S+ 0 0 0 2,-0.2 4,-1.8 -3,-0.2 -2,-0.2 0.915 117.6 47.9 -70.5 -39.3 17.3 39.2 22.6 87 88 A Q H X S+ 0 0 32 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.906 109.5 55.2 -62.2 -39.3 17.7 35.5 23.4 88 89 A G H X S+ 0 0 26 -4,-1.9 4,-2.6 -5,-0.3 -2,-0.2 0.879 105.9 50.6 -62.5 -39.4 15.9 36.2 26.6 89 90 A L H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.886 107.2 54.2 -66.1 -38.2 12.9 37.7 24.8 90 91 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.948 113.7 41.8 -58.1 -47.5 12.8 34.6 22.5 91 92 A K H X S+ 0 0 76 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.896 112.1 55.3 -67.2 -40.5 12.6 32.3 25.5 92 93 A L H X S+ 0 0 63 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.930 111.4 43.4 -58.6 -48.8 10.2 34.6 27.3 93 94 A F H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.3 0.928 114.6 49.7 -66.4 -42.9 7.7 34.6 24.5 94 95 A L H ><5S+ 0 0 48 -4,-2.2 3,-1.7 -5,-0.3 -2,-0.2 0.942 111.1 49.0 -59.4 -47.4 8.0 30.8 23.9 95 96 A D H 3<5S+ 0 0 111 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.739 107.6 55.6 -67.7 -23.2 7.5 30.0 27.6 96 97 A N T 3<5S- 0 0 80 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.157 118.3-110.6 -95.2 17.8 4.4 32.3 27.7 97 98 A Q T < 5S+ 0 0 140 -3,-1.7 -3,-0.2 1,-0.2 2,-0.2 0.787 72.1 139.0 61.9 32.1 2.8 30.3 24.9 98 99 A K < - 0 0 33 -5,-2.5 2,-0.4 -6,-0.2 -30,-0.2 -0.504 62.3 -88.9 -95.8 170.0 3.2 33.2 22.4 99 100 A I E -d 68 0A 1 -32,-2.2 -30,-2.1 -2,-0.2 2,-0.5 -0.664 36.8-161.8 -78.7 134.3 4.2 33.0 18.7 100 101 A V E +de 69 149A 0 48,-2.5 50,-2.1 -2,-0.4 2,-0.4 -0.975 17.6 174.2-120.6 114.1 7.9 33.3 18.2 101 102 A A E +de 70 150A 0 -32,-2.8 -30,-2.9 -2,-0.5 2,-0.3 -0.933 10.2 179.1-127.5 144.2 8.8 34.2 14.6 102 103 A G E -de 71 151A 0 48,-2.2 50,-1.4 -2,-0.4 2,-0.4 -0.998 8.6-161.7-143.8 150.4 12.0 35.1 12.9 103 104 A I E > - e 0 152A 0 -32,-2.4 3,-2.1 -2,-0.3 -30,-0.3 -0.983 58.4 -32.1-133.2 138.0 13.0 36.0 9.3 104 105 A G T > S- 0 0 0 48,-1.9 3,-2.1 -2,-0.4 20,-0.4 -0.242 132.9 -0.3 56.0-136.2 16.4 35.9 7.7 105 106 A S T >> S+ 0 0 7 1,-0.3 3,-1.1 2,-0.2 4,-0.5 0.691 121.6 76.8 -61.4 -17.4 19.2 36.6 10.2 106 107 A G H X> S+ 0 0 0 -3,-2.1 4,-1.0 -35,-0.2 3,-0.9 0.816 81.8 68.7 -59.5 -28.4 16.7 37.0 13.0 107 108 A V H <> S+ 0 0 0 -3,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.818 87.5 66.2 -61.0 -31.2 16.4 33.2 13.1 108 109 A V H <> S+ 0 0 0 -3,-1.1 4,-2.9 -4,-0.3 -1,-0.2 0.853 94.8 56.7 -61.6 -34.2 19.9 33.0 14.5 109 110 A I H S+ 0 0 0 -4,-1.0 5,-1.8 2,-0.2 6,-0.5 0.913 112.7 49.8 -62.0 -42.5 16.2 32.0 18.2 111 112 A A H ><5S+ 0 0 0 -4,-2.4 3,-1.7 1,-0.2 5,-0.3 0.935 111.4 48.5 -61.3 -46.8 18.8 29.3 17.4 112 113 A N H 3<5S+ 0 0 26 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.767 103.7 60.9 -67.6 -25.2 21.3 30.8 19.9 113 114 A A T 3<5S- 0 0 3 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.473 112.7-121.9 -76.0 -4.1 18.5 31.0 22.5 114 115 A K T < 5S+ 0 0 98 -3,-1.7 3,-0.2 -4,-0.2 -3,-0.2 0.774 80.3 119.5 66.3 29.8 18.2 27.2 22.2 115 116 A I < + 0 0 17 -5,-1.8 -4,-0.2 1,-0.1 -3,-0.1 0.442 66.5 58.8 -99.4 0.9 14.6 27.3 21.3 116 117 A L > + 0 0 0 -6,-0.5 3,-2.2 -5,-0.3 21,-0.2 0.271 67.6 136.1-110.7 9.8 15.1 25.6 17.9 117 118 A E T 3 S- 0 0 88 1,-0.3 19,-0.2 -3,-0.2 18,-0.2 -0.425 87.6 -4.4 -63.1 124.1 16.6 22.4 19.1 118 119 A E T 3 S+ 0 0 131 17,-2.6 2,-0.4 1,-0.2 -1,-0.3 0.663 107.7 130.1 66.0 19.7 15.0 19.5 17.2 119 120 A I < - 0 0 49 -3,-2.2 18,-2.6 16,-0.1 2,-0.4 -0.846 62.3-120.3-106.6 139.3 12.6 22.1 15.5 120 121 A N E +i 137 0C 70 -2,-0.4 2,-0.3 16,-0.2 18,-0.2 -0.658 51.0 147.4 -76.7 128.1 12.0 22.3 11.8 121 122 A V E -i 138 0C 0 16,-2.9 18,-3.4 -2,-0.4 2,-0.3 -0.882 38.2-138.0-145.6 171.7 12.9 25.8 10.5 122 123 A T + 0 0 5 -2,-0.3 2,-0.3 16,-0.2 30,-0.3 -0.855 26.3 168.1-129.4 174.5 14.3 27.7 7.6 123 124 A C - 0 0 3 -2,-0.3 2,-0.2 16,-0.2 30,-0.2 -0.960 46.0 -54.3-168.6 172.7 16.8 30.5 7.6 124 125 A L > - 0 0 51 -20,-0.4 3,-1.9 -2,-0.3 4,-0.3 -0.483 51.0-126.7 -63.4 132.8 19.1 32.7 5.5 125 126 A S G > S+ 0 0 90 28,-0.4 3,-1.6 1,-0.3 4,-0.2 0.899 108.7 55.3 -50.6 -44.0 21.3 30.4 3.4 126 127 A A G 3 S+ 0 0 82 1,-0.3 3,-0.3 2,-0.1 -1,-0.3 0.707 106.4 53.1 -61.5 -21.0 24.5 32.1 4.7 127 128 A D G X> S+ 0 0 12 -3,-1.9 4,-1.8 1,-0.2 3,-0.6 0.296 70.2 109.0-100.8 8.3 23.5 31.5 8.3 128 129 A E H <> S+ 0 0 61 -3,-1.6 4,-2.7 -4,-0.3 5,-0.3 0.799 72.0 63.0 -64.1 -25.9 22.9 27.7 8.2 129 130 A S H 3> S+ 0 0 80 -3,-0.3 4,-2.1 -4,-0.2 -1,-0.2 0.955 107.8 42.2 -55.9 -50.6 26.1 27.0 10.2 130 131 A H H <> S+ 0 0 66 -3,-0.6 4,-1.2 2,-0.2 -2,-0.2 0.876 115.3 49.2 -66.5 -39.0 24.6 28.9 13.2 131 132 A V H <>S+ 0 0 0 -4,-1.8 5,-1.6 1,-0.2 3,-0.4 0.927 112.3 46.7 -71.5 -42.1 21.2 27.4 12.8 132 133 A R H ><5S+ 0 0 141 -4,-2.7 3,-2.1 1,-0.2 -1,-0.2 0.868 105.6 61.2 -65.1 -34.3 22.4 23.8 12.5 133 134 A H H 3<5S+ 0 0 139 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 98.6 58.0 -60.7 -32.1 24.7 24.5 15.5 134 135 A G T 3<5S- 0 0 0 -4,-1.2 -1,-0.3 -3,-0.4 -18,-0.2 0.208 121.6-110.2 -80.7 14.0 21.5 25.1 17.5 135 136 A N T < 5 + 0 0 77 -3,-2.1 -17,-2.6 1,-0.2 -3,-0.2 0.601 69.3 145.6 69.5 16.9 20.2 21.6 16.6 136 137 A A < - 0 0 6 -5,-1.6 2,-0.6 -19,-0.2 -1,-0.2 -0.425 50.3-123.1 -78.7 159.8 17.5 22.8 14.3 137 138 A N E -i 120 0C 59 -18,-2.6 -16,-2.9 -21,-0.2 2,-0.7 -0.921 22.2-138.9-103.5 121.2 16.5 21.0 11.1 138 139 A I E -i 121 0C 26 -2,-0.6 2,-0.2 -18,-0.2 -16,-0.2 -0.716 17.6-155.8 -88.1 113.6 16.7 23.1 8.0 139 140 A X - 0 0 60 -18,-3.4 2,-1.5 -2,-0.7 -16,-0.2 -0.576 23.8-120.0 -83.1 151.0 13.8 22.6 5.7 140 141 A S S S+ 0 0 120 -2,-0.2 2,-0.3 -18,-0.1 -18,-0.1 -0.551 79.3 103.2 -88.6 68.4 14.0 23.3 2.0 141 142 A E S S- 0 0 120 -2,-1.5 3,-0.1 -20,-0.1 -2,-0.1 -0.974 74.7-129.0-147.7 157.4 11.2 26.0 2.2 142 143 A N S S+ 0 0 79 -2,-0.3 11,-2.1 1,-0.2 2,-0.3 0.799 99.0 17.8 -76.3 -33.6 10.8 29.7 2.2 143 144 A V E -F 152 0A 32 9,-0.2 2,-0.4 10,-0.1 -1,-0.2 -0.993 67.2-166.5-140.9 140.4 8.6 29.7 5.3 144 145 A V E -F 151 0A 16 7,-2.7 7,-2.4 -2,-0.3 2,-0.6 -0.984 5.3-161.9-133.9 124.9 8.2 27.0 8.0 145 146 A V E +F 150 0A 75 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.928 13.1 173.2-103.7 120.7 5.4 26.9 10.6 146 147 A S E > -F 149 0A 33 3,-3.3 3,-2.1 -2,-0.6 2,-0.3 -0.816 63.0 -70.8-128.0 85.6 6.3 24.5 13.5 147 148 A G T 3 S- 0 0 56 -2,-0.4 -1,-0.1 1,-0.3 -48,-0.0 -0.492 117.6 -9.8 64.0-121.7 3.6 25.0 16.1 148 149 A N T 3 S+ 0 0 63 -2,-0.3 -48,-2.5 -3,-0.1 2,-0.5 0.414 122.0 89.4 -87.2 -0.2 4.1 28.4 17.7 149 150 A I E < -eF 100 146A 10 -3,-2.1 -3,-3.3 -50,-0.2 2,-0.4 -0.866 53.8-179.0-100.9 130.1 7.4 28.9 16.0 150 151 A V E +eF 101 145A 0 -50,-2.1 -48,-2.2 -2,-0.5 2,-0.3 -0.997 3.2 177.1-130.0 129.3 7.5 30.5 12.5 151 152 A T E -eF 102 144A 0 -7,-2.4 -7,-2.7 -2,-0.4 2,-0.3 -0.931 7.7-170.2-130.1 156.6 10.7 31.0 10.4 152 153 A A E -eF 103 143A 0 -50,-1.4 -48,-1.9 -2,-0.3 -9,-0.2 -0.974 29.3-119.6-145.9 160.4 11.5 32.4 7.0 153 154 A N - 0 0 37 -11,-2.1 -28,-0.4 -2,-0.3 3,-0.1 0.265 66.6 -72.0 -94.1 12.2 14.5 32.5 4.8 154 155 A G S > S- 0 0 1 -12,-0.2 3,-2.2 1,-0.1 -1,-0.2 -0.813 75.3 -32.3 131.0-168.6 15.1 36.2 4.3 155 156 A P G > S+ 0 0 29 0, 0.0 3,-1.5 0, 0.0 4,-0.2 0.759 121.2 64.6 -65.0 -26.2 13.8 39.3 2.5 156 157 A T G 3 S+ 0 0 129 1,-0.3 4,-0.2 -3,-0.1 3,-0.1 0.639 107.5 45.3 -67.3 -14.8 12.5 37.5 -0.6 157 158 A S G <> S+ 0 0 3 -3,-2.2 4,-2.7 1,-0.1 -1,-0.3 0.179 76.3 115.5-112.4 16.7 10.0 35.7 1.7 158 159 A S H <> S+ 0 0 1 -3,-1.5 4,-2.4 1,-0.2 5,-0.2 0.881 80.2 42.1 -57.5 -45.7 8.8 38.7 3.7 159 160 A K H > S+ 0 0 120 -4,-0.2 4,-2.8 2,-0.2 5,-0.2 0.926 115.2 49.0 -70.6 -43.7 5.2 38.7 2.5 160 161 A D H > S+ 0 0 95 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.903 112.5 50.8 -59.7 -40.2 4.9 34.9 2.7 161 162 A F H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.948 111.0 46.7 -60.2 -53.2 6.3 35.0 6.2 162 163 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.919 111.6 51.2 -60.1 -43.5 3.9 37.7 7.4 163 164 A N H X S+ 0 0 92 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.893 110.1 50.2 -60.8 -39.2 0.9 35.9 5.9 164 165 A A H X S+ 0 0 25 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.914 110.5 49.1 -65.6 -41.7 2.0 32.7 7.7 165 166 A V H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.930 110.6 50.4 -62.1 -45.8 2.3 34.5 11.0 166 167 A V H X S+ 0 0 16 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.904 107.6 55.0 -58.5 -41.9 -1.2 36.1 10.5 167 168 A G H X S+ 0 0 39 -4,-2.2 4,-0.7 2,-0.2 -1,-0.2 0.918 110.2 45.0 -58.6 -43.7 -2.6 32.6 9.8 168 169 A V H >< S+ 0 0 27 -4,-2.0 3,-0.9 1,-0.2 -2,-0.2 0.955 115.6 47.0 -64.8 -46.4 -1.2 31.3 13.1 169 170 A L H >< S+ 0 0 0 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.879 105.1 59.0 -64.1 -38.1 -2.5 34.3 15.0 170 171 A N H 3< S+ 0 0 97 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.691 96.1 63.3 -70.1 -14.8 -5.9 34.3 13.5 171 172 A S T << S+ 0 0 107 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.3 0.496 94.9 80.5 -84.3 -0.3 -6.5 30.8 14.8 172 173 A L < 0 0 77 -3,-2.0 -3,-0.0 -4,-0.2 0, 0.0 -0.738 360.0 360.0-102.9 153.3 -6.2 32.2 18.3 173 174 A S 0 0 151 -2,-0.3 -171,-0.4 -171,-0.0 -1,-0.1 0.436 360.0 360.0-127.4 360.0 -8.9 34.0 20.4