==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-SEP-94 1DOC . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.L.GATTI,B.A.PALFEY,M.S.LAH,B.ENTSCH,V.MASSEY,D.P.BALLOU,M. . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17351.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 294 74.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 17.8 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 1 0.3 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 . 30 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 29.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.3 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 1 0 0 1 0 2 1 0 0 1 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 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 PARALLEL BRIDGES PER LADDER . 0 2 3 1 0 3 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 1 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 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 0 108 0, 0.0 150,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 137.1 22.8 106.2 83.6 2 2 A K B +a 151 0A 128 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.997 360.0 154.6-142.9 142.3 20.3 103.4 83.7 3 3 A T - 0 0 10 148,-2.1 3,-0.2 -2,-0.3 25,-0.1 -0.854 43.6-117.3-148.2 179.6 17.7 101.8 81.3 4 4 A Q S S+ 0 0 47 23,-0.5 149,-2.7 1,-0.3 150,-1.7 0.895 98.4 21.5 -91.5 -51.9 16.0 98.5 80.8 5 5 A V E -de 28 154B 1 22,-1.8 24,-1.8 148,-0.2 2,-0.5 -0.958 68.1-154.5-123.8 121.2 17.3 97.5 77.4 6 6 A A E -de 29 155B 0 148,-2.5 150,-2.8 -2,-0.5 2,-0.5 -0.796 12.3-160.7 -91.2 131.4 20.5 98.9 75.8 7 7 A I E -de 30 156B 0 22,-3.4 24,-2.8 -2,-0.5 2,-0.6 -0.955 5.3-155.1-117.8 120.3 20.5 98.8 72.0 8 8 A I E +de 31 157B 7 148,-2.4 150,-2.2 -2,-0.5 24,-0.2 -0.877 66.5 31.9 -94.8 119.2 23.9 99.1 70.1 9 9 A G - 0 0 6 22,-3.5 23,-0.2 -2,-0.6 150,-0.1 0.363 57.3-144.5 105.1 122.6 23.3 100.4 66.6 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.243 62.7 114.9-109.1 38.8 20.8 102.9 65.2 11 11 A G S > S- 0 0 18 147,-0.5 4,-2.4 29,-0.0 5,-0.3 -0.293 93.7 -71.3 -88.6-170.0 20.3 101.2 61.8 12 12 A P H > S+ 0 0 19 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.865 132.0 53.2 -54.7 -39.7 16.9 99.8 61.0 13 13 A S H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.954 112.9 40.8 -60.3 -57.8 17.2 96.8 63.5 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.913 117.5 49.3 -59.4 -41.6 18.0 98.9 66.5 15 15 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.896 112.6 45.9 -65.9 -42.2 15.5 101.6 65.6 16 16 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.928 114.2 48.5 -67.2 -43.2 12.6 99.2 65.0 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.921 112.3 49.0 -62.4 -44.4 13.4 97.2 68.2 18 18 A G H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.865 111.4 49.7 -64.6 -34.7 13.5 100.4 70.2 19 19 A Q H X S+ 0 0 6 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.925 111.9 46.4 -70.8 -45.5 10.3 101.7 68.8 20 20 A L H X S+ 0 0 3 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.947 115.8 47.4 -61.1 -46.6 8.4 98.5 69.4 21 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 -5,-0.2 -2,-0.2 0.895 110.8 50.4 -61.9 -43.5 9.8 98.4 72.9 22 22 A H H ><5S+ 0 0 59 -4,-2.4 3,-2.2 1,-0.2 -1,-0.2 0.950 107.3 53.7 -62.6 -47.3 9.0 102.0 73.7 23 23 A K H 3<5S+ 0 0 132 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.806 109.2 50.0 -56.3 -30.7 5.4 101.7 72.6 24 24 A A T 3<5S- 0 0 39 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.347 122.6-103.7 -90.5 3.8 5.0 98.7 75.0 25 25 A G T < 5S+ 0 0 53 -3,-2.2 2,-0.8 1,-0.2 -3,-0.2 0.621 77.1 133.6 87.7 12.5 6.5 100.6 77.9 26 26 A I < - 0 0 6 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.868 53.6-133.2-101.4 110.0 9.9 99.0 78.0 27 27 A D + 0 0 93 -2,-0.8 -22,-1.8 -3,-0.1 -23,-0.5 -0.344 32.9 172.5 -62.6 140.8 12.5 101.8 78.4 28 28 A N E -d 5 0B 6 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.991 23.8-150.7-151.8 150.7 15.5 101.5 76.0 29 29 A V E -df 6 119B 5 -24,-1.8 -22,-3.4 -2,-0.3 2,-0.5 -0.988 12.6-149.6-124.6 133.5 18.6 103.5 75.0 30 30 A I E -df 7 120B 0 89,-1.9 91,-3.2 -2,-0.4 2,-0.5 -0.909 6.5-162.2-106.0 131.6 20.2 103.3 71.5 31 31 A L E -df 8 121B 2 -24,-2.8 -22,-3.5 -2,-0.5 2,-0.4 -0.963 11.0-175.9-113.2 121.1 24.0 103.9 71.2 32 32 A E - 0 0 15 89,-2.7 92,-3.0 -2,-0.5 91,-0.3 -0.979 22.9-152.5-122.5 137.6 25.2 104.7 67.6 33 33 A R S S+ 0 0 135 -2,-0.4 -1,-0.1 90,-0.3 89,-0.0 0.846 78.7 48.7 -73.0 -37.8 28.8 105.2 66.5 34 34 A Q S S- 0 0 70 1,-0.1 89,-1.9 89,-0.1 90,-0.2 -0.125 92.6 -88.4 -93.7-171.1 28.1 107.5 63.6 35 35 A T > - 0 0 41 87,-0.2 4,-1.8 88,-0.1 3,-0.3 -0.612 37.4-108.5 -96.5 163.0 26.0 110.6 63.0 36 36 A P H > S+ 0 0 37 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.894 119.8 53.0 -56.2 -41.2 22.4 110.6 62.0 37 37 A D H > S+ 0 0 125 2,-0.2 4,-1.3 1,-0.2 -3,-0.0 0.864 104.6 54.0 -65.5 -37.2 23.3 111.9 58.6 38 38 A Y H >4 S+ 0 0 125 -3,-0.3 3,-0.7 2,-0.2 4,-0.5 0.958 109.3 47.1 -64.1 -48.6 25.8 109.1 58.0 39 39 A V H >< S+ 0 0 7 -4,-1.8 3,-1.5 1,-0.3 -2,-0.2 0.925 112.1 52.2 -56.9 -44.6 23.3 106.3 58.7 40 40 A L H 3< S+ 0 0 51 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.734 99.1 64.4 -64.6 -25.7 20.8 108.1 56.5 41 41 A G T << S+ 0 0 53 -4,-1.3 2,-0.6 -3,-0.7 -1,-0.3 0.608 76.1 108.1 -77.0 -9.3 23.3 108.3 53.6 42 42 A R < - 0 0 76 -3,-1.5 2,-0.7 -4,-0.5 -3,-0.0 -0.571 55.6-158.9 -75.7 114.9 23.4 104.5 53.3 43 43 A I + 0 0 37 -2,-0.6 3,-0.1 1,-0.1 -2,-0.1 -0.855 41.2 125.2 -92.2 117.8 21.6 103.3 50.1 44 44 A R + 0 0 110 -2,-0.7 -1,-0.1 1,-0.4 57,-0.0 0.028 45.2 32.7-134.8-112.7 20.7 99.7 50.7 45 45 A A + 0 0 25 1,-0.1 57,-2.5 56,-0.1 -1,-0.4 -0.165 35.9 168.4 -59.5 147.5 17.5 97.7 50.6 46 46 A G + 0 0 8 55,-0.2 54,-1.8 1,-0.2 2,-0.5 0.557 60.7 72.3-128.5 -24.0 14.6 98.4 48.2 47 47 A V E -I 99 0C 12 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.852 57.0-173.5-107.5 121.9 12.4 95.3 48.7 48 48 A L E -I 98 0C 0 50,-3.5 50,-3.1 -2,-0.5 2,-0.2 -0.885 15.8-136.5-114.5 139.9 10.3 94.6 51.8 49 49 A E E >> -I 97 0C 4 -2,-0.4 4,-2.2 48,-0.2 3,-0.7 -0.498 31.5-103.9 -86.7 165.7 8.4 91.5 52.6 50 50 A Q H 3> S+ 0 0 58 336,-0.6 4,-2.5 46,-0.5 5,-0.2 0.823 119.7 58.0 -58.0 -39.4 4.8 91.5 54.1 51 51 A G H 3> S+ 0 0 21 335,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.874 107.3 46.4 -60.8 -39.8 6.2 90.7 57.5 52 52 A M H <> S+ 0 0 2 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.925 111.3 53.1 -67.7 -43.9 8.4 93.7 57.6 53 53 A V H X S+ 0 0 13 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.905 110.9 46.3 -57.7 -43.1 5.5 95.9 56.4 54 54 A D H X S+ 0 0 65 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.857 109.4 54.2 -69.9 -34.1 3.2 94.6 59.2 55 55 A L H X S+ 0 0 5 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.888 106.9 51.5 -66.3 -38.3 5.9 95.1 61.8 56 56 A L H <>S+ 0 0 3 -4,-2.1 5,-2.4 2,-0.2 -1,-0.2 0.875 109.8 50.2 -66.7 -36.1 6.2 98.8 60.7 57 57 A R H ><5S+ 0 0 127 -4,-1.6 3,-1.6 3,-0.2 -2,-0.2 0.916 108.7 51.9 -68.9 -39.3 2.5 99.2 61.1 58 58 A E H 3<5S+ 0 0 71 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.896 107.4 52.0 -62.5 -38.2 2.7 97.6 64.5 59 59 A A T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.421 116.1-121.5 -76.2 -0.0 5.4 100.1 65.5 60 60 A G T < 5S+ 0 0 50 -3,-1.6 3,-0.2 -5,-0.1 -3,-0.2 0.683 82.2 113.6 67.0 24.7 3.0 102.8 64.2 61 61 A V < + 0 0 17 -5,-2.4 4,-0.2 -6,-0.2 -4,-0.2 -0.358 39.1 97.4-122.4 53.4 5.5 104.1 61.6 62 62 A D > + 0 0 38 -5,-0.2 4,-3.0 2,-0.1 5,-0.2 0.414 45.2 100.4-121.2 3.5 3.8 103.2 58.3 63 63 A R H > S+ 0 0 158 -3,-0.2 4,-1.6 1,-0.2 5,-0.1 0.941 91.0 39.0 -53.6 -57.8 2.0 106.4 57.2 64 64 A R H > S+ 0 0 71 1,-0.2 4,-3.4 2,-0.2 5,-0.4 0.892 116.7 51.5 -62.7 -41.8 4.7 107.4 54.6 65 65 A M H > S+ 0 0 8 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.919 107.6 51.6 -63.6 -43.3 5.3 103.8 53.5 66 66 A A H < S+ 0 0 77 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.862 118.3 39.8 -61.9 -34.3 1.6 103.2 52.9 67 67 A R H < S+ 0 0 138 -4,-1.6 -2,-0.2 -5,-0.2 -1,-0.2 0.936 130.3 23.4 -79.3 -50.8 1.5 106.4 50.8 68 68 A D H < S+ 0 0 74 -4,-3.4 -3,-0.2 -5,-0.1 -2,-0.2 0.687 93.8 100.8 -93.8 -24.9 4.8 106.2 48.9 69 69 A G < - 0 0 14 -4,-2.7 2,-0.5 -5,-0.4 31,-0.2 -0.341 66.2-131.5 -65.6 146.3 5.8 102.5 48.8 70 70 A L E -J 99 0C 49 29,-2.5 29,-3.2 144,-0.1 2,-0.5 -0.874 12.4-143.2-100.7 129.6 5.1 100.5 45.6 71 71 A V E -J 98 0C 91 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.807 17.5-160.2 -93.7 123.8 3.4 97.2 46.0 72 72 A H E -J 97 0C 8 25,-3.0 25,-1.7 -2,-0.5 126,-0.1 -0.915 18.5-174.7-108.8 137.9 4.7 94.6 43.5 73 73 A E S S+ 0 0 89 -2,-0.4 16,-1.8 23,-0.2 15,-0.6 0.483 70.4 12.9-105.7 -6.1 2.8 91.5 42.5 74 74 A G E -K 87 0D 0 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.951 56.0-149.8-158.7 172.8 5.5 89.9 40.3 75 75 A V E -K 86 0D 5 11,-1.3 11,-2.6 -2,-0.3 2,-0.4 -0.936 19.9-130.5-144.4 158.7 9.2 89.9 39.3 76 76 A E E -Kl 85 200D 27 123,-2.3 125,-3.2 -2,-0.3 2,-0.4 -0.918 10.3-162.7-118.9 147.5 10.9 89.0 36.0 77 77 A I E -Kl 84 201D 5 7,-2.4 7,-2.7 -2,-0.4 2,-0.4 -0.997 9.1-164.2-128.6 124.1 13.9 86.8 35.4 78 78 A A E +Kl 83 202D 6 123,-3.0 125,-3.1 -2,-0.4 2,-0.3 -0.917 21.0 148.3-110.6 135.4 15.7 87.0 32.0 79 79 A F E > +K 82 0D 5 3,-2.2 3,-2.0 -2,-0.4 125,-0.1 -0.966 60.8 8.7-160.7 152.7 18.1 84.3 30.8 80 80 A A T 3 S- 0 0 62 123,-0.4 124,-0.1 -2,-0.3 3,-0.1 0.811 130.7 -52.2 40.2 46.9 19.2 82.9 27.4 81 81 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.743 116.7 99.4 67.4 28.3 17.3 85.5 25.5 82 82 A Q E < -K 79 0D 73 -3,-2.0 -3,-2.2 2,-0.0 2,-0.5 -0.988 58.3-143.5-145.9 147.8 13.9 85.1 27.2 83 83 A R E -K 78 0D 72 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.966 16.9-171.8-113.9 127.2 11.9 86.9 30.0 84 84 A R E -K 77 0D 74 -7,-2.7 -7,-2.4 -2,-0.5 2,-0.4 -0.981 11.6-146.6-123.3 128.1 9.8 84.9 32.4 85 85 A R E -K 76 0D 107 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.776 2.5-152.7 -96.1 134.5 7.5 86.5 34.9 86 86 A I E -K 75 0D 1 -11,-2.6 2,-1.5 -2,-0.4 -11,-1.3 -0.945 13.3-143.3-104.8 114.1 6.8 84.9 38.3 87 87 A D E > -K 74 0D 42 -2,-0.6 4,-2.7 1,-0.2 5,-0.3 -0.664 20.9-177.8 -80.0 90.8 3.4 85.9 39.5 88 88 A L H > S+ 0 0 0 -2,-1.5 4,-1.8 -15,-0.6 7,-0.4 0.917 79.0 49.7 -54.3 -50.4 4.2 86.2 43.2 89 89 A K H >>S+ 0 0 79 -16,-1.8 5,-3.8 5,-0.2 4,-0.6 0.910 115.9 41.7 -58.9 -45.1 0.7 87.0 44.3 90 90 A R H >45S+ 0 0 148 -17,-0.3 3,-0.8 3,-0.2 -2,-0.2 0.977 120.3 41.0 -67.6 -53.8 -0.8 84.1 42.4 91 91 A L H 3<5S+ 0 0 28 -4,-2.7 292,-0.2 1,-0.2 -1,-0.2 0.579 114.9 49.9 -72.2 -17.5 1.8 81.5 43.3 92 92 A S H 3<5S- 0 0 27 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.506 118.8-103.4 -99.4 -4.2 2.2 82.5 46.9 93 93 A G T <<5S- 0 0 70 -3,-0.8 -3,-0.2 -4,-0.6 -2,-0.1 0.866 85.1 -36.3 85.4 37.4 -1.5 82.5 47.7 94 94 A G S > - 0 0 2 113,-0.4 4,-2.0 -2,-0.3 3,-0.5 -0.105 14.0-128.6 -54.3 145.2 13.9 102.4 50.3 102 102 A Q H 3> S+ 0 0 19 -57,-2.5 4,-2.4 1,-0.2 5,-0.2 0.818 110.7 58.9 -62.6 -32.8 15.9 101.6 53.4 103 103 A T H 3> S+ 0 0 27 -58,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.876 107.7 48.6 -63.2 -34.8 16.9 105.3 53.8 104 104 A E H <> S+ 0 0 57 -3,-0.5 4,-2.6 2,-0.2 -2,-0.2 0.925 110.0 48.8 -68.6 -50.7 13.1 106.0 53.9 105 105 A V H X S+ 0 0 3 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.922 113.7 48.7 -55.0 -46.3 12.3 103.4 56.5 106 106 A T H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.897 110.1 50.2 -62.5 -43.7 15.2 104.6 58.6 107 107 A R H X S+ 0 0 59 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.911 110.3 51.4 -60.1 -44.2 14.1 108.3 58.3 108 108 A D H X S+ 0 0 14 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.895 112.6 44.3 -62.0 -43.5 10.6 107.3 59.4 109 109 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.910 112.7 51.5 -68.7 -41.5 11.8 105.4 62.4 110 110 A M H X S+ 0 0 29 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.888 111.8 46.8 -61.8 -42.6 14.3 108.2 63.4 111 111 A E H X S+ 0 0 99 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.899 113.0 50.3 -63.9 -43.7 11.5 110.8 63.2 112 112 A A H X S+ 0 0 23 -4,-2.0 4,-1.3 -5,-0.2 -2,-0.2 0.896 111.6 47.5 -62.5 -42.6 9.2 108.6 65.2 113 113 A R H X>S+ 0 0 3 -4,-2.7 5,-1.4 1,-0.2 4,-0.8 0.900 110.0 51.8 -67.7 -42.0 11.8 108.0 67.9 114 114 A E H ><5S+ 0 0 158 -4,-2.1 3,-0.6 1,-0.2 -1,-0.2 0.894 108.5 51.2 -62.3 -40.8 12.7 111.7 68.2 115 115 A A H 3<5S+ 0 0 89 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.827 108.5 51.8 -65.5 -34.4 9.0 112.7 68.7 116 116 A C H 3<5S- 0 0 63 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.628 107.8-127.9 -76.0 -17.6 8.5 110.1 71.4 117 117 A G T <<5 + 0 0 61 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.663 49.5 160.0 78.9 16.8 11.5 111.5 73.3 118 118 A A < - 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0 0 14 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.914 33.8-104.4-127.9 149.8 22.9 87.0 53.0 292 292 A P > - 0 0 0 0, 0.0 3,-1.0 0, 0.0 5,-0.3 -0.609 39.4-116.5 -70.0 145.1 24.0 87.9 49.4 293 293 A P G > S+ 0 0 54 0, 0.0 3,-2.0 0, 0.0 -25,-0.0 0.600 92.7 97.8 -57.6 -17.5 21.4 90.5 48.1 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.0 0.779 89.4 39.0 -46.2 -36.1 20.1 88.3 45.4 295 295 A G G < S- 0 0 1 -3,-1.0 -1,-0.3 44,-0.1 48,-0.1 0.485 101.5-127.9 -97.1 0.6 17.0 87.2 47.4 296 296 A A < + 0 0 25 -3,-2.0 4,-0.2 -4,-0.2 -2,-0.1 0.895 69.6 126.1 53.6 49.2 16.3 90.6 49.1 297 297 A K > + 0 0 8 -5,-0.3 4,-2.8 3,-0.1 5,-0.3 0.663 35.0 87.2-108.1 -24.7 16.3 88.9 52.5 298 298 A G H > S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.895 98.1 33.4 -46.0 -64.0 18.7 90.8 54.8 299 299 A L H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.868 118.4 56.5 -64.9 -34.6 16.5 93.6 56.2 300 300 A N H > S+ 0 0 2 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.866 106.7 48.0 -67.5 -33.0 13.6 91.2 56.1 301 301 A L H X S+ 0 0 1 -4,-2.8 4,-2.1 2,-0.2 -16,-0.2 0.838 107.5 56.3 -72.5 -35.8 15.4 88.7 58.3 302 302 A A H X S+ 0 0 4 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.926 103.8 55.6 -61.0 -40.7 16.4 91.5 60.7 303 303 A A H X S+ 0 0 2 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.885 108.2 46.6 -60.7 -40.9 12.7 92.3 61.1 304 304 A S H X S+ 0 0 5 -4,-1.3 4,-2.5 2,-0.2 -1,-0.2 0.883 110.7 51.7 -72.6 -32.6 11.9 88.7 62.2 305 305 A D H X S+ 0 0 1 -4,-2.1 4,-3.1 2,-0.2 -2,-0.2 0.948 115.2 44.0 -62.4 -48.5 14.8 88.6 64.6 306 306 A V H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.891 111.1 52.4 -62.2 -43.7 13.5 91.9 66.1 307 307 A S H X S+ 0 0 10 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.934 114.1 45.0 -59.7 -43.4 9.9 90.7 66.1 308 308 A T H X S+ 0 0 13 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.935 114.1 47.4 -68.0 -45.7 11.1 87.6 68.0 309 309 A L H X S+ 0 0 0 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.916 111.9 50.5 -61.7 -45.2 13.3 89.5 70.4 310 310 A Y H X S+ 0 0 21 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.948 110.6 49.0 -57.4 -50.8 10.5 92.1 71.1 311 311 A R H X S+ 0 0 81 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.860 113.3 46.5 -59.4 -40.7 7.9 89.4 71.8 312 312 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.876 112.0 50.0 -70.3 -38.2 10.2 87.5 74.2 313 313 A L H X S+ 0 0 2 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.882 108.6 54.0 -67.9 -35.4 11.3 90.7 76.0 314 314 A L H X>S+ 0 0 21 -4,-2.5 4,-3.0 2,-0.2 5,-0.7 0.946 109.4 47.3 -61.5 -49.4 7.6 91.6 76.4 315 315 A K H X5S+ 0 0 42 -4,-1.8 6,-1.9 1,-0.2 4,-1.3 0.906 113.0 50.5 -56.2 -44.7 6.9 88.2 78.0 316 316 A A H X5S+ 0 0 13 -4,-2.3 4,-0.6 5,-0.2 6,-0.4 0.922 121.0 31.2 -61.8 -46.8 9.9 88.7 80.2 317 317 A Y H <5S+ 0 0 61 -4,-2.9 -2,-0.2 2,-0.2 -3,-0.2 0.919 128.4 33.9 -81.0 -47.5 8.9 92.1 81.4 318 318 A R H <5S+ 0 0 182 -4,-3.0 -3,-0.2 -5,-0.3 -2,-0.1 0.873 132.5 27.6 -79.3 -35.9 5.2 92.1 81.4 319 319 A E H < + 0 0 76 -6,-1.9 3,-1.9 1,-0.2 4,-0.3 -0.341 12.4 151.2 -97.0 52.8 8.6 84.7 82.0 322 322 A G G > + 0 0 30 -2,-0.6 3,-1.4 -6,-0.4 4,-0.2 0.719 59.6 73.7 -57.4 -23.1 12.3 85.5 81.6 323 323 A E G > S+ 0 0 103 1,-0.3 3,-1.5 -3,-0.2 -1,-0.3 0.772 81.2 71.6 -64.5 -23.1 13.1 81.9 80.9 324 324 A L G X S+ 0 0 17 -3,-1.9 3,-2.0 1,-0.3 -1,-0.3 0.771 79.2 76.1 -64.8 -25.0 11.6 82.1 77.4 325 325 A L G X S+ 0 0 9 -3,-1.4 3,-1.2 -4,-0.3 4,-0.3 0.707 79.9 71.3 -60.9 -19.7 14.5 84.3 76.3 326 326 A E G < S+ 0 0 156 -3,-1.5 4,-0.4 1,-0.2 -1,-0.3 0.713 91.3 59.3 -69.1 -18.4 16.7 81.1 76.1 327 327 A R G <> S+ 0 0 82 -3,-2.0 4,-2.5 -4,-0.2 -1,-0.2 0.509 75.9 100.1 -88.3 -4.5 14.7 80.0 73.0 328 328 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.6 -4,-0.2 5,-0.2 0.899 83.7 42.2 -46.6 -58.3 15.6 83.1 71.0 329 329 A S H > S+ 0 0 9 -4,-0.3 4,-3.0 -3,-0.3 5,-0.3 0.910 112.9 51.8 -58.7 -48.9 18.4 81.5 68.9 330 330 A A H > S+ 0 0 50 -4,-0.4 4,-1.1 1,-0.2 -1,-0.2 0.927 113.7 46.2 -55.8 -44.9 16.6 78.3 68.2 331 331 A I H X S+ 0 0 5 -4,-2.5 4,-0.9 1,-0.2 3,-0.5 0.954 116.8 41.6 -63.8 -52.5 13.6 80.3 67.0 332 332 A C H >X S+ 0 0 4 -4,-2.6 4,-2.6 1,-0.2 3,-0.5 0.908 108.5 59.1 -62.7 -46.3 15.5 82.7 64.8 333 333 A L H 3X S+ 0 0 20 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.766 96.3 62.0 -58.4 -28.4 17.9 80.2 63.3 334 334 A R H 3X S+ 0 0 126 -4,-1.1 4,-1.3 -3,-0.5 -1,-0.2 0.959 112.9 36.3 -63.2 -45.4 15.1 78.1 61.8 335 335 A R H - 0 0 54 -2,-0.6 3,-0.6 -5,-0.1 -170,-0.0 -0.725 10.8-135.4 -90.1 143.9 31.0 82.0 38.2 354 354 A P T 3 S+ 0 0 99 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.889 96.3 47.0 -67.4 -44.5 34.7 82.1 37.0 355 355 A D T 3 S+ 0 0 148 2,-0.0 2,-0.5 0, 0.0 -2,-0.0 -0.237 82.0 144.3 -96.5 51.1 35.9 78.5 37.4 356 356 A T < - 0 0 45 -3,-0.6 2,-0.1 -2,-0.5 -4,-0.0 -0.762 35.9-150.8 -99.5 123.8 32.8 76.9 35.7 357 357 A D > - 0 0 100 -2,-0.5 4,-2.0 1,-0.1 5,-0.2 -0.347 33.4-100.1 -83.7 167.3 32.9 73.7 33.5 358 358 A A H > S+ 0 0 78 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.862 120.5 53.3 -53.5 -45.2 30.6 72.9 30.6 359 359 A F H > S+ 0 0 146 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.955 110.1 47.7 -56.8 -52.0 28.4 70.5 32.7 360 360 A S H > S+ 0 0 56 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.853 108.9 53.5 -58.5 -38.9 27.8 73.1 35.4 361 361 A Q H X S+ 0 0 91 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.899 111.6 46.5 -62.5 -40.9 26.9 75.9 32.9 362 362 A R H X S+ 0 0 164 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.897 110.5 51.6 -68.6 -40.8 24.3 73.5 31.4 363 363 A I H X S+ 0 0 79 -4,-2.6 4,-2.4 2,-0.2 -2,-0.2 0.895 108.8 52.5 -62.8 -36.3 23.0 72.6 34.8 364 364 A Q H X S+ 0 0 25 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.938 111.0 45.4 -63.4 -48.9 22.6 76.3 35.7 365 365 A Q H X S+ 0 0 69 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.924 113.7 50.0 -60.8 -44.1 20.6 77.0 32.6 366 366 A T H X S+ 0 0 69 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.841 103.9 58.9 -65.4 -34.3 18.5 73.9 33.2 367 367 A E H X S+ 0 0 58 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.942 110.6 43.8 -57.8 -47.4 17.8 74.9 36.8 368 368 A L H X S+ 0 0 3 -4,-1.8 4,-2.7 1,-0.2 5,-0.2 0.955 113.3 49.6 -62.8 -51.1 16.3 78.1 35.4 369 369 A E H X S+ 0 0 83 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.866 116.2 43.7 -57.8 -39.8 14.4 76.4 32.6 370 370 A Y H >X S+ 0 0 122 -4,-2.8 4,-1.3 2,-0.2 3,-0.9 0.970 116.6 42.7 -70.7 -56.3 12.9 73.9 35.1 371 371 A Y H 3< S+ 0 0 60 -4,-2.8 -2,-0.2 1,-0.2 10,-0.2 0.832 117.7 46.7 -62.1 -31.2 12.0 76.2 37.9 372 372 A L H 3< S+ 0 0 5 -4,-2.7 -1,-0.2 -5,-0.3 -2,-0.2 0.568 116.5 44.3 -86.4 -9.3 10.6 78.9 35.6 373 373 A G H << S+ 0 0 48 -3,-0.9 2,-0.4 -4,-0.5 -2,-0.2 0.515 98.7 77.2-111.5 -8.5 8.6 76.4 33.6 374 374 A S X - 0 0 27 -4,-1.3 4,-3.2 1,-0.1 5,-0.2 -0.894 68.6-143.4-106.2 136.3 7.1 74.2 36.3 375 375 A E H > S+ 0 0 105 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.868 107.9 47.2 -62.2 -36.0 4.1 75.4 38.4 376 376 A A H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.911 112.7 49.0 -71.1 -41.5 5.7 73.6 41.4 377 377 A G H >> S+ 0 0 1 -7,-0.2 4,-1.4 1,-0.2 3,-0.6 0.938 110.3 50.2 -62.6 -47.1 9.1 75.2 40.7 378 378 A L H 3X S+ 0 0 19 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.887 107.8 55.1 -58.9 -39.6 7.6 78.7 40.3 379 379 A A H 3X S+ 0 0 29 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.802 103.1 54.7 -65.5 -31.6 5.8 78.2 43.7 380 380 A T H