==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 26-JAN-12 4DGQ . COMPND 2 MOLECULE: NON-HEME CHLOROPEROXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CENOCEPACIA; . AUTHOR A.S.GARDBERG,T.E.EDWARDS,J.A.ABENDROTH,B.STAKER,L.STEWART,SE . 831 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 623 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 95 11.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 33 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 46 5.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 116 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 272 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.7 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 3 3 0 3 0 3 0 0 1 11 0 3 0 0 0 0 0 0 0 0 3 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 6 5 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 PARALLEL BRIDGES PER LADDER . 3 0 3 3 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 . 3 0 0 0 0 3 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 0 A S > 0 0 101 0, 0.0 3,-1.2 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 143.6 -22.5 11.0 -25.5 2 1 A M T 3 + 0 0 73 564,-0.4 620,-0.1 1,-0.2 566,-0.1 -0.511 360.0 6.1 -71.3 129.4 -20.1 8.4 -26.9 3 2 A G T 3 S+ 0 0 10 -2,-0.3 12,-2.4 1,-0.2 2,-0.3 0.578 109.9 88.4 78.7 11.8 -19.8 5.2 -24.8 4 3 A T E < +A 14 0A 29 -3,-1.2 2,-0.3 10,-0.2 10,-0.2 -0.995 42.8 178.3-137.4 147.9 -22.5 5.9 -22.2 5 4 A V E -A 13 0A 20 8,-1.8 8,-3.2 -2,-0.3 2,-0.5 -0.987 23.3-137.1-138.2 139.8 -26.3 5.3 -22.0 6 5 A T E -A 12 0A 88 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.871 24.3-135.6 -97.4 124.5 -28.6 6.1 -19.1 7 6 A T > - 0 0 9 4,-2.9 3,-2.0 -2,-0.5 72,-0.1 -0.220 29.1-100.0 -71.3 170.9 -31.0 3.3 -18.3 8 7 A K T 3 S+ 0 0 172 1,-0.3 -1,-0.1 2,-0.1 71,-0.0 0.770 124.6 55.6 -66.8 -20.6 -34.7 4.0 -17.6 9 8 A D T 3 S- 0 0 83 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.162 124.9 -99.8 -95.1 16.7 -33.9 3.6 -13.9 10 9 A G S < S+ 0 0 30 -3,-2.0 2,-0.4 1,-0.2 270,-0.3 0.546 75.0 140.1 87.5 10.4 -31.2 6.3 -14.0 11 10 A V - 0 0 0 268,-0.1 -4,-2.9 54,-0.0 2,-0.6 -0.730 47.4-137.3 -91.7 129.8 -28.0 4.1 -14.2 12 11 A E E -A 6 0A 64 -2,-0.4 53,-2.5 -6,-0.2 2,-0.5 -0.785 19.8-161.7 -86.7 120.3 -25.2 5.2 -16.4 13 12 A I E -A 5 0A 0 -8,-3.2 -8,-1.8 -2,-0.6 2,-0.3 -0.927 6.3-146.4-105.8 121.5 -23.9 2.2 -18.3 14 13 A F E +A 4 0A 29 -2,-0.5 43,-3.0 43,-0.3 2,-0.3 -0.646 25.6 171.1 -80.7 140.2 -20.4 2.5 -20.0 15 14 A Y E -B 56 0B 11 -12,-2.4 2,-0.4 -2,-0.3 41,-0.3 -0.993 31.2-135.8-149.4 155.1 -19.8 0.7 -23.2 16 15 A K E -B 55 0B 4 39,-2.7 39,-2.1 -2,-0.3 2,-0.4 -0.908 19.1-177.1-101.3 136.6 -17.3 0.3 -26.0 17 16 A D E +B 54 0B 26 -2,-0.4 2,-0.4 605,-0.3 607,-0.3 -0.888 14.8 171.0-136.8 103.6 -18.7 0.2 -29.6 18 17 A W E +B 53 0B 0 35,-2.8 35,-3.3 -2,-0.4 605,-0.1 -0.937 28.4 33.6-121.5 137.0 -16.0 -0.4 -32.1 19 18 A G S S- 0 0 0 -2,-0.4 33,-0.2 33,-0.2 605,-0.1 -0.437 91.1 -22.9 118.3 176.6 -16.0 -1.1 -35.9 20 19 A P > - 0 0 40 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.271 55.4-130.7 -62.0 139.1 -17.9 -0.3 -39.1 21 20 A R T 3 S+ 0 0 120 1,-0.3 31,-0.1 30,-0.0 4,-0.0 0.769 105.1 44.8 -65.7 -26.0 -21.4 0.7 -38.4 22 21 A D T 3 S+ 0 0 151 2,-0.0 -1,-0.3 29,-0.0 2,-0.1 0.332 91.5 109.7-100.0 8.0 -22.9 -1.7 -41.0 23 22 A A S < S- 0 0 23 -3,-1.6 28,-0.1 1,-0.1 27,-0.0 -0.385 82.8 -83.7 -79.7 163.3 -20.8 -4.8 -40.0 24 23 A K - 0 0 116 26,-0.1 28,-2.6 -2,-0.1 2,-0.4 -0.370 54.2-130.6 -62.4 142.5 -22.0 -8.0 -38.2 25 24 A V E -c 52 0B 19 26,-0.2 68,-2.2 64,-0.1 2,-0.4 -0.808 22.8-170.1-107.6 136.6 -22.1 -7.3 -34.4 26 25 A I E -cd 53 93B 0 26,-2.1 28,-2.6 -2,-0.4 2,-0.5 -0.998 11.3-160.7-119.1 127.4 -20.8 -9.3 -31.5 27 26 A H E -cd 54 94B 0 66,-3.1 68,-3.2 -2,-0.4 2,-0.4 -0.910 8.8-156.8-109.2 128.1 -21.9 -8.1 -28.0 28 27 A F E -cd 55 95B 0 26,-2.8 28,-0.9 -2,-0.5 2,-0.5 -0.876 8.1-162.2-115.6 140.4 -19.8 -9.2 -25.1 29 28 A H E -cd 56 96B 0 66,-2.5 68,-2.2 -2,-0.4 71,-0.1 -0.981 19.6-144.5-127.2 112.7 -20.8 -9.5 -21.4 30 29 A H - 0 0 1 26,-0.5 6,-0.1 -2,-0.5 2,-0.1 -0.133 12.4-110.7 -79.7 168.9 -18.0 -9.7 -18.8 31 30 A G > - 0 0 2 4,-0.2 3,-1.9 68,-0.2 67,-0.1 -0.333 49.8 -40.5 -93.8 178.0 -17.6 -11.6 -15.5 32 31 A W T 3 S- 0 0 22 1,-0.3 -1,-0.1 -2,-0.1 67,-0.1 -0.590 116.1 -2.0 -79.4 140.5 -17.5 -10.8 -11.9 33 32 A P T 3 S+ 0 0 0 0, 0.0 29,-0.3 0, 0.0 -1,-0.3 -0.571 114.6 85.7-105.0 45.5 -16.0 -8.4 -10.5 34 33 A L < - 0 0 0 -3,-1.9 28,-0.3 27,-0.1 2,-0.3 0.410 59.4-129.3 -96.5-142.5 -14.6 -7.1 -13.8 35 34 A S > - 0 0 1 26,-0.1 3,-2.2 22,-0.1 -4,-0.2 -0.914 45.7 -73.7-161.2 179.3 -15.5 -4.8 -16.7 36 35 A S G > S+ 0 0 0 1,-0.3 3,-1.9 -2,-0.3 4,-0.1 0.703 118.4 77.0 -64.8 -18.3 -15.6 -4.7 -20.5 37 36 A D G > S+ 0 0 3 1,-0.3 3,-1.8 2,-0.2 -1,-0.3 0.750 77.2 74.0 -60.8 -22.7 -11.8 -4.3 -20.4 38 37 A D G < S+ 0 0 11 -3,-2.2 -1,-0.3 1,-0.3 3,-0.2 0.661 93.8 54.1 -65.9 -13.4 -11.7 -8.1 -19.7 39 38 A W G X> S+ 0 0 0 -3,-1.9 4,-2.8 1,-0.2 3,-0.9 0.332 70.7 116.0 -99.3 8.1 -12.6 -8.6 -23.4 40 39 A D H <> S+ 0 0 14 -3,-1.8 4,-2.4 1,-0.3 5,-0.2 0.812 73.3 52.7 -49.2 -45.1 -9.8 -6.6 -24.8 41 40 A A H 3> S+ 0 0 27 -3,-0.2 4,-1.6 -4,-0.2 -1,-0.3 0.898 116.5 40.5 -58.4 -41.4 -8.1 -9.5 -26.6 42 41 A Q H <> S+ 0 0 0 -3,-0.9 4,-2.4 2,-0.2 5,-0.2 0.891 112.6 52.9 -73.5 -44.5 -11.4 -10.4 -28.3 43 42 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.929 111.9 46.5 -59.0 -46.1 -12.5 -6.9 -29.1 44 43 A L H X S+ 0 0 4 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.920 111.4 51.6 -61.8 -46.2 -9.2 -6.1 -30.8 45 44 A F H X S+ 0 0 54 -4,-1.6 4,-0.7 -5,-0.2 -2,-0.2 0.925 115.3 41.0 -56.4 -50.5 -9.2 -9.4 -32.8 46 45 A F H <>S+ 0 0 0 -4,-2.4 5,-2.4 2,-0.2 3,-0.4 0.884 113.9 50.0 -72.1 -39.3 -12.7 -8.9 -34.1 47 46 A V H ><5S+ 0 0 5 -4,-2.6 3,-1.8 1,-0.2 -1,-0.2 0.904 107.3 55.9 -66.1 -36.7 -12.4 -5.1 -34.9 48 47 A N H 3<5S+ 0 0 61 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.733 105.0 53.5 -68.0 -19.5 -9.2 -5.8 -36.7 49 48 A K T 3<5S- 0 0 118 -4,-0.7 -1,-0.3 -3,-0.4 -2,-0.2 0.365 126.2-100.5 -93.4 2.2 -11.1 -8.2 -38.9 50 49 A G T < 5S+ 0 0 36 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.514 78.7 130.9 95.7 10.9 -13.8 -5.7 -39.8 51 50 A F < - 0 0 34 -5,-2.4 2,-0.5 -28,-0.1 -1,-0.3 -0.437 58.6-117.1 -89.0 166.5 -16.5 -6.7 -37.4 52 51 A R E - c 0 25B 19 -28,-2.6 -26,-2.1 -33,-0.2 2,-0.4 -0.902 32.3-167.1-102.4 128.4 -18.4 -4.4 -35.1 53 52 A V E -Bc 18 26B 2 -35,-3.3 -35,-2.8 -2,-0.5 2,-0.4 -0.967 9.1-172.7-121.9 140.8 -18.0 -5.2 -31.4 54 53 A V E +Bc 17 27B 0 -28,-2.6 -26,-2.8 -2,-0.4 2,-0.3 -0.975 8.5 169.4-129.0 136.6 -20.0 -3.9 -28.4 55 54 A A E -Bc 16 28B 0 -39,-2.1 -39,-2.7 -2,-0.4 2,-0.3 -0.920 11.2-166.2-151.0 124.6 -19.1 -4.5 -24.7 56 55 A H E -Bc 15 29B 1 -28,-0.9 2,-0.5 -2,-0.3 -26,-0.5 -0.761 23.0-116.4-115.5 157.4 -20.7 -2.8 -21.7 57 56 A D - 0 0 0 -43,-3.0 -43,-0.3 -2,-0.3 3,-0.1 -0.818 35.2-118.9 -90.8 126.4 -19.8 -2.5 -18.0 58 57 A R > - 0 0 4 -2,-0.5 3,-2.5 1,-0.2 6,-0.3 -0.207 47.4 -78.4 -55.9 147.3 -22.4 -4.1 -15.6 59 58 A R T 3 S+ 0 0 1 1,-0.3 -1,-0.2 11,-0.1 7,-0.1 -0.212 121.3 14.4 -50.7 136.4 -24.0 -1.8 -13.2 60 59 A G T 3 S+ 0 0 0 5,-1.8 133,-2.8 1,-0.3 2,-0.3 0.614 111.2 103.1 72.0 5.8 -21.7 -1.0 -10.3 61 60 A H S X S- 0 0 1 -3,-2.5 3,-2.5 131,-0.2 -1,-0.3 -0.897 85.1 -27.0-118.0 151.6 -18.8 -2.4 -12.2 62 61 A G T 3 S- 0 0 5 126,-0.5 -27,-0.1 -2,-0.3 -3,-0.0 -0.248 127.9 -14.8 56.4-120.1 -16.0 -0.7 -14.1 63 62 A R T 3 S+ 0 0 66 -49,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.309 109.1 107.9-101.5 3.6 -17.1 2.8 -15.3 64 63 A S S < S- 0 0 5 -3,-2.5 -51,-0.2 -6,-0.3 -6,-0.1 -0.404 84.2 -76.0 -80.6 159.0 -20.8 2.2 -14.8 65 64 A S - 0 0 14 -53,-2.5 2,-1.9 1,-0.1 -5,-1.8 -0.242 35.5-123.0 -58.3 143.8 -22.7 4.0 -12.0 66 65 A Q + 0 0 24 -7,-0.1 229,-0.4 -6,-0.1 2,-0.2 -0.429 44.0 172.9 -86.0 63.7 -22.3 2.8 -8.5 67 66 A V - 0 0 9 -2,-1.9 229,-0.1 1,-0.1 126,-0.1 -0.502 28.9-141.8 -70.1 140.8 -26.0 2.2 -8.0 68 67 A W S S+ 0 0 60 227,-0.4 2,-0.2 -2,-0.2 3,-0.2 0.678 71.8 35.2 -85.4 -18.0 -26.7 0.4 -4.6 69 68 A D S S+ 0 0 71 1,-0.1 3,-0.1 228,-0.1 -2,-0.1 -0.672 78.8 63.6-131.1-176.4 -29.5 -1.8 -5.7 70 69 A G + 0 0 11 -2,-0.2 2,-2.0 1,-0.2 -1,-0.1 0.732 54.4 156.6 69.0 30.2 -30.9 -4.0 -8.5 71 70 A H + 0 0 15 -3,-0.2 2,-0.3 4,-0.1 132,-0.2 -0.522 36.8 102.4 -89.6 73.9 -27.9 -6.3 -8.4 72 71 A D S > S- 0 0 60 -2,-2.0 4,-2.5 -3,-0.1 3,-0.3 -0.949 86.0 -99.5-151.1 165.6 -29.7 -9.3 -9.9 73 72 A M H > S+ 0 0 2 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.816 116.8 58.3 -65.3 -31.0 -29.9 -11.0 -13.3 74 73 A D H > S+ 0 0 58 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.939 111.5 41.4 -63.8 -45.9 -33.1 -9.3 -14.3 75 74 A H H > S+ 0 0 60 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.892 112.5 54.9 -68.4 -38.3 -31.6 -5.8 -13.9 76 75 A Y H X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.919 110.5 46.3 -59.3 -43.4 -28.4 -7.0 -15.5 77 76 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.890 112.2 50.6 -62.7 -41.8 -30.4 -8.2 -18.5 78 77 A D H X S+ 0 0 51 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.867 107.7 52.5 -68.0 -36.6 -32.4 -4.9 -18.6 79 78 A D H X S+ 0 0 2 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.917 109.8 50.1 -62.8 -44.8 -29.2 -2.8 -18.5 80 79 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.930 107.8 53.9 -58.0 -42.5 -27.9 -4.8 -21.6 81 80 A A H X S+ 0 0 17 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.861 102.6 57.2 -63.1 -35.9 -31.2 -4.2 -23.3 82 81 A A H X S+ 0 0 7 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.896 108.2 47.2 -62.3 -37.7 -30.7 -0.4 -22.8 83 82 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.960 113.8 46.4 -66.3 -47.9 -27.4 -0.6 -24.7 84 83 A V H X>S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 5,-1.1 0.911 111.8 52.7 -62.4 -43.0 -28.9 -2.7 -27.5 85 84 A E H <5S+ 0 0 107 -4,-3.1 -1,-0.2 2,-0.2 -2,-0.2 0.905 111.0 46.2 -57.6 -48.1 -31.8 -0.3 -27.7 86 85 A K H <5S+ 0 0 90 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.939 120.5 38.2 -62.5 -43.2 -29.6 2.8 -28.0 87 86 A L H <5S- 0 0 33 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.675 97.5-132.5 -87.4 -16.5 -27.3 1.2 -30.6 88 87 A G T <5 + 0 0 52 -4,-2.0 -3,-0.2 -5,-0.2 -4,-0.1 0.828 56.1 143.9 71.3 31.1 -29.9 -0.7 -32.7 89 88 A T > < + 0 0 6 -5,-1.1 3,-1.4 -6,-0.2 -4,-0.1 0.104 14.8 150.7 -95.9 27.0 -27.8 -3.8 -32.6 90 89 A H T 3 + 0 0 98 -6,-0.3 26,-0.2 1,-0.2 25,-0.1 -0.246 62.2 39.8 -53.5 140.6 -30.7 -6.4 -32.4 91 90 A G T 3 S+ 0 0 37 24,-3.1 -1,-0.2 1,-0.3 25,-0.2 0.407 85.6 141.5 93.4 3.3 -29.7 -9.7 -34.0 92 91 A A < - 0 0 4 -3,-1.4 25,-1.8 23,-0.5 26,-0.7 -0.207 61.2-105.1 -66.6 160.6 -26.1 -9.6 -32.7 93 92 A M E -de 26 118B 1 -68,-2.2 -66,-3.1 24,-0.2 2,-0.5 -0.824 37.9-148.7 -78.3 126.6 -24.2 -12.6 -31.5 94 93 A H E -de 27 119B 0 24,-2.3 26,-2.7 -2,-0.5 2,-0.5 -0.906 14.0-171.8-103.6 128.5 -24.1 -12.4 -27.7 95 94 A V E -de 28 120B 0 -68,-3.2 -66,-2.5 -2,-0.5 2,-0.3 -0.980 2.9-172.2-123.2 124.6 -21.0 -13.8 -25.9 96 95 A G E -de 29 121B 0 24,-2.8 26,-3.1 -2,-0.5 2,-0.4 -0.892 9.3-159.1-117.5 144.0 -20.9 -14.1 -22.1 97 96 A H E > - e 0 122B 0 -68,-2.2 3,-2.4 -2,-0.3 26,-0.2 -0.997 61.7 -42.3-116.4 131.1 -18.0 -15.0 -19.8 98 97 A S T >> S+ 0 0 7 24,-2.2 27,-1.4 -2,-0.4 3,-1.4 -0.306 138.9 8.3 64.1-121.4 -18.6 -16.3 -16.3 99 98 A T H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 3,-0.4 0.854 128.4 65.9 -56.4 -34.5 -21.3 -14.2 -14.6 100 99 A G H <> S+ 0 0 0 -3,-2.4 4,-1.9 1,-0.2 -1,-0.3 0.782 91.4 59.7 -62.0 -27.7 -21.8 -12.7 -18.1 101 100 A G H <> S+ 0 0 0 -3,-1.4 4,-2.1 21,-0.2 -1,-0.2 0.860 104.5 50.7 -67.7 -36.9 -23.0 -15.9 -19.5 102 101 A G H X S+ 0 0 0 -4,-1.0 4,-2.8 -3,-0.4 5,-0.3 0.921 108.5 52.1 -60.6 -45.1 -25.8 -15.8 -16.9 103 102 A E H X S+ 0 0 1 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.901 108.2 50.9 -57.5 -41.5 -26.6 -12.3 -18.1 104 103 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.939 111.2 48.4 -62.3 -47.4 -26.8 -13.4 -21.7 105 104 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.933 114.6 44.6 -58.5 -47.8 -29.2 -16.3 -20.8 106 105 A R H X S+ 0 0 35 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.875 111.5 54.1 -67.0 -37.3 -31.5 -14.0 -18.8 107 106 A Y H X S+ 0 0 5 -4,-2.5 4,-2.8 -5,-0.3 5,-0.4 0.946 110.8 45.9 -60.3 -44.4 -31.3 -11.3 -21.5 108 107 A I H X S+ 0 0 6 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.936 116.9 44.3 -61.3 -48.0 -32.5 -13.9 -24.1 109 108 A A H < S+ 0 0 48 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.885 121.7 38.1 -66.3 -40.0 -35.3 -15.2 -21.8 110 109 A R H < S+ 0 0 117 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.874 128.5 28.7 -85.1 -35.2 -36.4 -11.8 -20.7 111 110 A H H < S- 0 0 67 -4,-2.8 -3,-0.2 -5,-0.3 -2,-0.2 0.558 117.4 -96.4-107.1 -9.5 -36.1 -9.8 -23.9 112 111 A G >< - 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0 0 60 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.243 24.2-125.9 -52.1 139.9 -21.8 -25.4 -0.8 141 140 A K H >> S+ 0 0 97 -10,-0.3 4,-2.5 1,-0.3 3,-0.5 0.779 105.5 72.3 -61.0 -29.2 -23.3 -22.0 -0.1 142 141 A S H 3> S+ 0 0 66 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.829 90.4 60.8 -53.1 -32.9 -20.6 -21.4 2.6 143 142 A V H <> S+ 0 0 50 -3,-1.7 4,-1.7 1,-0.2 -1,-0.3 0.927 109.3 39.6 -62.5 -48.0 -18.1 -21.0 -0.2 144 143 A F H > S+ 0 0 38 -3,-0.3 4,-2.3 2,-0.2 3,-1.7 0.912 113.1 55.5 -76.2 -41.5 -6.3 -7.9 -0.9 158 157 A F H 3X S+ 0 0 18 -4,-2.6 4,-2.5 -8,-0.3 -2,-0.2 0.885 102.9 57.3 -55.4 -38.5 -9.0 -10.4 -2.0 159 158 A Y H 3< S+ 0 0 0 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.512 109.5 44.6 -81.9 -6.1 -8.8 -8.9 -5.5 160 159 A L H <> S+ 0 0 6 -3,-1.7 4,-1.7 -4,-0.2 -1,-0.2 0.731 112.9 51.4 -87.6 -41.3 -5.1 -9.7 -5.7 161 160 A D H X S+ 0 0 85 -4,-2.3 4,-1.3 2,-0.2 -2,-0.2 0.891 105.0 54.7 -67.6 -37.1 -5.5 -13.2 -4.2 162 161 A V H ><>S+ 0 0 21 -4,-2.5 5,-2.1 1,-0.2 3,-0.6 0.973 115.5 36.1 -65.9 -53.0 -8.2 -14.4 -6.6 163 162 A P H 345S+ 0 0 0 0, 0.0 5,-0.5 0, 0.0 7,-0.3 0.783 116.4 54.4 -71.5 -24.6 -6.4 -13.7 -9.9 164 163 A A H 3<5S+ 0 0 46 -4,-1.7 -2,-0.2 18,-0.1 -3,-0.2 0.716 124.9 21.8 -77.4 -17.3 -3.0 -14.7 -8.4 165 164 A G T <<5S+ 0 0 12 -4,-1.3 6,-1.5 -3,-0.6 5,-0.5 0.681 129.5 1.3-115.4 -95.9 -4.5 -18.1 -7.4 166 165 A P T 5S+ 0 0 42 0, 0.0 91,-0.5 0, 0.0 63,-0.5 0.769 108.1 72.5 -78.6 -26.4 -7.6 -19.8 -8.9 167 166 A F S S+ 0 0 8 -3,-0.5 3,-2.2 -4,-0.4 6,-0.2 0.666 73.5 140.6 65.1 23.2 -4.7 -21.3 -12.8 170 169 A Y T 3 + 0 0 36 -5,-0.5 5,-0.1 -7,-0.3 -5,-0.1 0.675 63.3 67.1 -69.8 -13.2 -1.6 -19.4 -11.9 171 170 A N T 3 S+ 0 0 75 -6,-1.5 -1,-0.3 2,-0.1 -6,-0.1 0.426 82.9 99.4 -79.6 0.1 -1.6 -21.5 -8.7 172 171 A R S X S- 0 0 95 -3,-2.2 3,-2.1 -7,-0.2 0, 0.0 -0.615 88.4 -92.9 -86.9 148.4 -0.9 -24.7 -10.7 173 172 A P T 3 S+ 0 0 129 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.293 110.0 14.3 -61.2 140.0 2.7 -26.1 -11.0 174 173 A G T 3 S+ 0 0 83 1,-0.2 -3,-0.1 -4,-0.1 -4,-0.1 0.388 89.3 142.3 77.4 -5.2 4.6 -24.8 -13.9 175 174 A A < - 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