==== 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 22-NOV-95 1IUT . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.L.GATTI,B.ENTSCH,D.P.BALLOU,M.L.LUDWIG . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17363.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 72.6 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.6 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 3 1 1 0 0 1 0 1 2 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 0 116 0, 0.0 150,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 130.5 22.8 106.0 83.7 2 2 A K B +a 151 0A 136 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.981 360.0 160.1-141.9 149.9 20.3 103.2 83.5 3 3 A T - 0 0 11 148,-2.3 3,-0.2 -2,-0.3 25,-0.1 -0.854 41.5-117.3-149.2 179.8 17.8 101.6 81.2 4 4 A Q S S+ 0 0 52 23,-0.5 149,-2.7 1,-0.3 150,-1.7 0.891 99.7 22.4 -91.1 -52.1 16.0 98.3 80.7 5 5 A V E -de 28 154B 1 22,-2.0 24,-1.8 148,-0.2 2,-0.4 -0.954 68.4-156.6-122.4 119.3 17.3 97.3 77.2 6 6 A A E -de 29 155B 0 148,-2.5 150,-2.8 -2,-0.5 2,-0.5 -0.791 12.1-160.5 -90.7 134.3 20.5 98.7 75.8 7 7 A I E -de 30 156B 0 22,-3.1 24,-3.0 -2,-0.4 2,-0.7 -0.973 6.2-153.2-121.1 121.4 20.6 98.6 72.0 8 8 A I E +de 31 157B 7 148,-2.4 150,-1.9 -2,-0.5 24,-0.2 -0.875 66.3 30.2 -95.9 112.3 24.0 98.8 70.1 9 9 A G - 0 0 6 22,-3.6 23,-0.2 -2,-0.7 150,-0.1 0.299 57.1-142.1 112.2 127.0 23.4 100.2 66.6 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.200 63.6 113.8-109.7 37.2 21.0 102.7 65.1 11 11 A G S > S- 0 0 15 147,-0.5 4,-2.2 29,-0.0 5,-0.3 -0.268 93.7 -71.5 -87.3-168.8 20.5 101.0 61.7 12 12 A P H > S+ 0 0 19 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.873 131.7 53.3 -56.5 -38.5 17.1 99.5 60.9 13 13 A S H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.947 112.7 42.2 -59.8 -56.0 17.3 96.6 63.4 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.898 117.4 46.9 -59.5 -43.5 18.1 98.7 66.4 15 15 A L H X S+ 0 0 1 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.924 113.2 47.7 -66.5 -45.4 15.6 101.4 65.5 16 16 A L H X S+ 0 0 4 -4,-2.8 4,-2.5 -5,-0.3 5,-0.2 0.948 115.0 45.6 -62.2 -45.7 12.8 98.9 64.8 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -1,-0.2 0.904 113.1 50.8 -61.6 -44.8 13.4 97.0 68.1 18 18 A G H X S+ 0 0 0 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.887 111.6 47.9 -62.0 -38.0 13.7 100.2 70.0 19 19 A Q H X S+ 0 0 7 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.895 112.0 47.8 -70.0 -43.9 10.4 101.5 68.6 20 20 A L H X S+ 0 0 3 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.928 114.9 47.3 -62.5 -44.2 8.5 98.3 69.3 21 21 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 3,-0.6 0.907 110.7 50.1 -64.8 -45.1 9.9 98.2 72.8 22 22 A H H ><5S+ 0 0 60 -4,-2.4 3,-2.1 1,-0.2 -1,-0.2 0.946 107.4 54.3 -59.7 -48.7 9.2 101.8 73.6 23 23 A K H 3<5S+ 0 0 139 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.692 109.5 49.4 -57.8 -22.6 5.6 101.5 72.4 24 24 A A T <<5S- 0 0 41 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.368 123.3-102.3 -97.9 0.2 5.1 98.6 74.8 25 25 A G T < 5S+ 0 0 54 -3,-2.1 2,-0.7 -4,-0.3 -3,-0.2 0.557 78.6 130.9 93.0 9.4 6.5 100.4 77.8 26 26 A I < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.854 54.1-133.8-100.9 111.8 10.0 98.9 77.9 27 27 A D + 0 0 92 -2,-0.7 -22,-2.0 -3,-0.1 -23,-0.5 -0.384 31.6 172.9 -65.9 143.3 12.6 101.6 78.2 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.988 23.0-150.2-152.5 148.2 15.6 101.3 75.9 29 29 A V E -df 6 119B 5 -24,-1.8 -22,-3.1 -2,-0.3 2,-0.4 -0.984 12.7-148.7-121.4 134.2 18.6 103.3 74.9 30 30 A I E -df 7 120B 0 89,-1.9 91,-2.9 -2,-0.4 2,-0.5 -0.892 7.2-162.8-104.2 132.7 20.3 103.1 71.5 31 31 A L E -df 8 121B 1 -24,-3.0 -22,-3.6 -2,-0.4 2,-0.4 -0.969 10.8-176.3-113.1 124.4 24.1 103.7 71.2 32 32 A E - 0 0 16 89,-2.7 92,-2.5 -2,-0.5 91,-0.4 -0.990 23.4-153.1-126.1 132.3 25.4 104.4 67.6 33 33 A R S S+ 0 0 140 -2,-0.4 -1,-0.1 90,-0.3 89,-0.0 0.872 79.3 50.8 -65.2 -43.7 29.0 104.9 66.6 34 34 A Q S S- 0 0 54 1,-0.1 89,-1.9 89,-0.1 90,-0.2 -0.089 90.9 -93.4 -87.5-172.7 28.2 107.2 63.6 35 35 A T > - 0 0 40 87,-0.2 4,-2.1 88,-0.1 5,-0.2 -0.626 36.3-107.2 -98.7 164.0 26.2 110.3 63.1 36 36 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.899 120.5 51.9 -56.9 -41.2 22.5 110.5 61.9 37 37 A D H > S+ 0 0 129 2,-0.2 4,-0.8 1,-0.2 -3,-0.0 0.885 106.6 52.0 -65.3 -39.3 23.7 111.7 58.5 38 38 A Y H >4 S+ 0 0 129 2,-0.2 3,-1.4 1,-0.2 4,-0.4 0.962 111.2 47.3 -62.9 -49.0 26.2 108.9 58.0 39 39 A V H >< S+ 0 0 7 -4,-2.1 3,-1.4 1,-0.3 -2,-0.2 0.922 110.0 54.0 -58.2 -41.7 23.6 106.3 58.7 40 40 A L H 3< S+ 0 0 50 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.633 96.1 68.6 -69.8 -13.0 21.1 108.0 56.4 41 41 A G T << S+ 0 0 51 -3,-1.4 2,-0.4 -4,-0.8 -1,-0.3 0.627 74.3 100.5 -81.2 -13.4 23.7 107.9 53.6 42 42 A R < - 0 0 66 -3,-1.4 -3,-0.0 -4,-0.4 -4,-0.0 -0.609 49.7-173.0 -77.0 124.1 23.5 104.1 53.1 43 43 A I + 0 0 24 -2,-0.4 60,-0.6 59,-0.1 59,-0.5 0.966 34.8 129.6 -79.6 -60.2 21.3 103.1 50.2 44 44 A R + 0 0 126 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.026 49.5 40.1 45.8-128.0 21.1 99.3 50.5 45 45 A A + 0 0 25 1,-0.1 57,-2.7 56,-0.1 58,-0.4 -0.016 37.1 166.7 -57.6 152.1 17.8 97.5 50.5 46 46 A G + 0 0 8 55,-0.2 54,-1.7 1,-0.2 2,-0.5 0.510 58.7 75.3-134.4 -20.5 14.7 98.2 48.3 47 47 A V E -I 99 0C 14 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.871 54.0-172.9-110.1 125.4 12.5 95.0 48.8 48 48 A L E -I 98 0C 0 50,-3.5 50,-2.9 -2,-0.5 2,-0.1 -0.913 18.3-132.8-116.2 137.6 10.4 94.3 51.9 49 49 A E E >> -I 97 0C 5 -2,-0.4 4,-1.9 48,-0.2 3,-0.8 -0.425 31.8-107.6 -78.3 164.2 8.5 91.2 52.7 50 50 A Q H 3> S+ 0 0 62 336,-0.7 4,-2.4 46,-0.6 5,-0.2 0.848 118.9 60.9 -62.3 -34.9 4.9 91.4 54.0 51 51 A G H 3> S+ 0 0 22 335,-0.4 4,-1.2 1,-0.2 -1,-0.3 0.860 105.5 45.7 -61.6 -37.1 6.1 90.4 57.4 52 52 A M H <> S+ 0 0 3 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.870 109.5 55.0 -73.6 -37.0 8.3 93.5 57.6 53 53 A V H X S+ 0 0 8 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.925 109.7 47.9 -61.5 -41.8 5.5 95.7 56.3 54 54 A D H X S+ 0 0 69 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.801 109.0 53.0 -68.7 -31.9 3.3 94.5 59.2 55 55 A L H X S+ 0 0 4 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.879 106.8 52.0 -71.3 -38.0 6.0 95.0 61.8 56 56 A L H <>S+ 0 0 3 -4,-2.1 5,-2.3 2,-0.2 -2,-0.2 0.889 110.5 49.9 -64.0 -38.2 6.4 98.6 60.6 57 57 A R H ><5S+ 0 0 126 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.915 108.8 51.0 -65.8 -43.5 2.6 99.0 61.0 58 58 A E H 3<5S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.853 108.3 52.1 -63.7 -33.3 2.7 97.5 64.5 59 59 A A T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.490 115.1-121.7 -79.4 -5.6 5.5 100.0 65.4 60 60 A G T < 5S+ 0 0 48 -3,-1.4 3,-0.3 -4,-0.2 -3,-0.2 0.642 81.9 114.3 73.6 22.3 3.3 102.7 64.2 61 61 A V < + 0 0 14 -5,-2.3 4,-0.2 -6,-0.2 -4,-0.2 -0.339 40.2 98.5-118.3 51.1 5.7 103.9 61.6 62 62 A D > + 0 0 41 -5,-0.2 4,-2.9 2,-0.1 5,-0.3 0.453 43.7 100.1-118.6 1.1 3.9 103.1 58.4 63 63 A R H > S+ 0 0 164 -3,-0.3 4,-1.5 1,-0.2 5,-0.1 0.943 92.0 37.3 -53.2 -57.7 2.3 106.3 57.2 64 64 A R H > S+ 0 0 50 1,-0.2 4,-3.3 2,-0.2 5,-0.4 0.868 116.3 53.7 -65.3 -36.8 4.9 107.3 54.6 65 65 A M H > S+ 0 0 9 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.918 107.1 50.7 -65.4 -41.0 5.4 103.7 53.5 66 66 A A H < S+ 0 0 78 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.855 118.7 40.1 -64.1 -32.4 1.6 103.2 52.9 67 67 A R H < S+ 0 0 143 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.946 129.7 23.8 -79.8 -50.9 1.7 106.3 50.8 68 68 A D H < S+ 0 0 66 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.675 93.6 100.8 -93.0 -27.1 5.0 106.0 48.9 69 69 A G < - 0 0 16 -4,-2.4 2,-0.5 -5,-0.4 31,-0.2 -0.309 64.5-134.2 -63.4 148.7 5.8 102.2 48.8 70 70 A L E -J 99 0C 52 29,-2.5 29,-3.0 144,-0.1 2,-0.5 -0.927 10.7-142.8-107.6 127.3 5.1 100.3 45.6 71 71 A V E -J 98 0C 91 -2,-0.5 2,-0.5 27,-0.2 27,-0.2 -0.776 16.8-159.0 -90.8 124.2 3.4 96.9 46.0 72 72 A H E -J 97 0C 10 25,-2.9 25,-1.7 -2,-0.5 126,-0.1 -0.927 18.7-177.2-108.1 132.4 4.8 94.3 43.5 73 73 A E S S+ 0 0 86 -2,-0.5 16,-1.7 23,-0.2 15,-0.8 0.401 71.6 17.0-102.9 -4.0 2.8 91.2 42.5 74 74 A G E -K 87 0D 1 13,-0.2 125,-0.4 14,-0.2 2,-0.3 -0.942 56.0-156.0-155.9 177.8 5.4 89.8 40.3 75 75 A V E -K 86 0D 4 11,-1.3 11,-2.8 -2,-0.3 2,-0.4 -0.944 20.0-129.4-157.8 151.9 9.1 89.9 39.2 76 76 A E E -Kl 85 200D 19 123,-2.6 125,-2.9 -2,-0.3 2,-0.4 -0.923 9.5-162.0-114.4 149.0 10.9 88.9 36.0 77 77 A I E -Kl 84 201D 6 7,-2.4 7,-2.5 -2,-0.4 2,-0.5 -0.996 10.6-163.6-127.6 121.5 13.9 86.6 35.3 78 78 A A E +Kl 83 202D 4 123,-3.1 125,-3.1 -2,-0.4 2,-0.3 -0.911 22.3 146.6-109.4 133.6 15.6 86.9 32.0 79 79 A F E > +K 82 0D 5 3,-2.5 3,-1.1 -2,-0.5 125,-0.1 -0.963 59.8 9.4-160.9 149.8 18.0 84.3 30.8 80 80 A A T 3 S- 0 0 62 123,-0.5 124,-0.1 -2,-0.3 3,-0.1 0.836 130.2 -51.1 45.1 49.5 19.0 82.8 27.4 81 81 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.833 118.5 97.8 62.2 35.4 17.2 85.5 25.4 82 82 A Q E < -K 79 0D 68 -3,-1.1 -3,-2.5 2,-0.0 2,-0.4 -0.989 58.5-146.1-153.2 147.9 13.9 85.1 27.2 83 83 A R E -K 78 0D 79 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.976 15.4-170.0-116.9 129.0 12.0 86.9 30.0 84 84 A R E -K 77 0D 86 -7,-2.5 -7,-2.4 -2,-0.4 2,-0.4 -0.982 11.6-145.9-123.1 129.0 9.8 84.9 32.3 85 85 A R E -K 76 0D 112 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.818 3.4-153.1 -96.9 132.4 7.4 86.5 34.8 86 86 A I E -K 75 0D 2 -11,-2.8 2,-1.3 -2,-0.4 -11,-1.3 -0.935 12.3-143.7-102.6 115.7 6.8 84.9 38.1 87 87 A D E > -K 74 0D 40 -2,-0.6 4,-2.5 -13,-0.2 -13,-0.2 -0.725 20.2-176.6 -81.6 95.0 3.3 85.9 39.4 88 88 A L H > S+ 0 0 1 -2,-1.3 4,-2.3 -15,-0.8 7,-0.3 0.922 77.7 51.6 -59.2 -47.2 4.2 86.1 43.1 89 89 A K H 4>S+ 0 0 81 -16,-1.7 5,-3.9 2,-0.2 4,-0.4 0.913 115.3 40.0 -58.8 -47.8 0.6 86.8 44.2 90 90 A R H >45S+ 0 0 144 -17,-0.3 3,-0.9 3,-0.2 -2,-0.2 0.962 119.9 44.1 -68.1 -49.8 -0.9 83.9 42.4 91 91 A L H 3<5S+ 0 0 25 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.692 114.7 46.8 -71.8 -23.2 1.8 81.4 43.2 92 92 A S T 3<5S- 0 0 21 -4,-2.3 -1,-0.2 3,-0.2 -2,-0.2 0.440 119.4-101.9 -98.8 0.8 2.3 82.2 46.8 93 93 A G T < 5S- 0 0 70 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.865 84.7 -37.7 84.4 33.4 -1.4 82.3 47.6 94 94 A G S - 0 0 1 113,-0.3 4,-2.1 -2,-0.3 -55,-0.2 -0.147 12.7-130.0 -55.0 147.7 14.0 102.0 50.3 102 102 A Q H > S+ 0 0 18 -57,-2.7 4,-2.6 -59,-0.5 5,-0.2 0.849 110.1 59.5 -63.7 -35.6 15.9 101.1 53.4 103 103 A T H > S+ 0 0 23 -60,-0.6 4,-2.0 -58,-0.4 -1,-0.2 0.914 108.0 45.9 -58.8 -42.7 17.1 104.8 53.6 104 104 A E H > S+ 0 0 47 -3,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.891 110.7 51.0 -67.9 -43.2 13.4 105.8 53.8 105 105 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.917 112.1 48.4 -60.5 -41.9 12.5 103.1 56.4 106 106 A T H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.896 110.4 50.6 -66.5 -39.1 15.4 104.3 58.5 107 107 A R H X S+ 0 0 69 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.892 109.5 51.5 -64.5 -41.7 14.4 107.9 58.2 108 108 A D H X S+ 0 0 14 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.905 112.1 45.9 -61.9 -45.5 10.8 107.1 59.2 109 109 A L H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.892 111.1 52.0 -64.9 -43.7 12.0 105.2 62.3 110 110 A M H X S+ 0 0 28 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.887 111.7 46.5 -60.7 -42.1 14.5 108.0 63.3 111 111 A E H X S+ 0 0 89 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.875 112.8 50.7 -66.3 -41.0 11.7 110.6 63.1 112 112 A A H X S+ 0 0 23 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.905 111.1 47.6 -64.1 -43.3 9.4 108.4 65.1 113 113 A R H X>S+ 0 0 3 -4,-2.7 5,-1.4 2,-0.2 4,-0.7 0.893 110.8 51.4 -67.5 -39.7 12.0 107.8 67.8 114 114 A E H ><5S+ 0 0 163 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.936 108.8 51.0 -62.6 -45.2 12.8 111.5 68.1 115 115 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.765 109.1 50.6 -61.8 -31.8 9.1 112.4 68.5 116 116 A C H 3<5S- 0 0 64 -4,-1.3 -1,-0.3 -3,-0.1 -2,-0.2 0.594 108.2-127.8 -81.9 -12.9 8.6 109.9 71.2 117 117 A G T <<5 + 0 0 61 -3,-1.0 -3,-0.2 -4,-0.7 -2,-0.1 0.700 49.6 159.2 75.1 20.8 11.6 111.3 73.1 118 118 A A < - 0 0 18 -5,-1.4 2,-0.3 1,-0.1 -1,-0.2 -0.424 47.8 -93.6 -74.2 154.6 13.4 107.9 73.5 119 119 A T E +f 29 0B 66 -91,-0.5 -89,-1.9 -2,-0.1 2,-0.4 -0.504 46.6 167.2 -75.2 130.1 17.1 108.1 74.2 120 120 A T E -f 30 0B 41 -2,-0.3 2,-0.7 -91,-0.2 -89,-0.2 -0.986 16.3-162.8-140.4 124.4 19.6 107.8 71.3 121 121 A V E > -f 31 0B 16 -91,-2.9 -89,-2.7 -2,-0.4 3,-0.5 -0.918 10.7-167.7-111.6 103.1 23.3 108.6 71.7 122 122 A Y T 3 S+ 0 0 40 -2,-0.7 -87,-0.2 1,-0.2 -89,-0.2 -0.470 72.5 31.2 -82.1 162.0 25.0 109.1 68.3 123 123 A Q T 3 S+ 0 0 124 -89,-1.9 2,-1.1 -91,-0.4 21,-0.3 0.832 75.0 165.5 56.3 33.2 28.8 109.3 68.2 124 124 A A < - 0 0 1 -92,-2.5 3,-0.4 -3,-0.5 -1,-0.2 -0.743 25.7-156.0 -79.9 103.9 28.9 106.8 71.1 125 125 A A E +B 142 0A 32 17,-2.6 17,-2.5 -2,-1.1 -91,-0.0 -0.542 55.3 6.5 -90.9 153.5 32.6 105.9 70.7 126 126 A E E S- 0 0 74 15,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.863 75.6-163.4 46.7 52.1 34.5 102.8 71.8 127 127 A V E - 0 0 12 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.430 9.6-176.4 -64.8 131.9 31.4 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346 A M H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 5,-0.2 0.928 112.2 50.2 -57.9 -45.6 19.3 82.5 43.7 347 347 A T H X S+ 0 0 0 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.944 110.5 48.8 -60.6 -46.1 22.9 83.5 43.7 348 348 A S H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.801 115.0 43.1 -68.7 -27.6 24.1 80.3 42.1 349 349 A V H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.749 118.5 41.5 -90.7 -19.9 21.5 80.3 39.3 350 350 A L H < S+ 0 0 0 -4,-1.8 -146,-0.3 -5,-0.2 2,-0.2 0.693 102.2 71.2 -99.0 -21.6 21.7 84.0 38.3 351 351 A H S < S- 0 0 0 -4,-1.7 2,-0.6 -5,-0.2 -148,-0.1 -0.587 76.0-121.4 -98.3 160.2 25.5 84.8 38.4 352 352 A R - 0 0 66 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.875 30.6-150.4-101.6 119.3 28.3 83.8 36.2 353 353 A F - 0 0 64 -2,-0.6 3,-0.4 -5,-0.1 2,-0.2 -0.656 18.3-108.4 -91.8 145.5 31.0 81.9 38.2 354 354 A P S S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.489 97.6 9.2 -70.1 142.4 34.8 81.9 37.3 355 355 A D S S+ 0 0 170 1,-0.2 2,-0.5 -2,-0.2 0, 0.0 0.965 82.0 169.9 50.8 65.2 36.2 78.6 35.9 356 356 A T - 0 0 43 -3,-0.4 -1,-0.2 3,-0.0 2,-0.1 -0.901 27.8-132.4-105.8 129.5 32.9 76.8 35.4 357 357 A D > - 0 0 96 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.360 27.2-103.7 -77.3 165.6 33.0 73.6 33.4 358 358 A A H > S+ 0 0 78 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.868 119.1 55.9 -56.6 -40.9 30.5 72.9 30.5 359 359 A F H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.954 107.9 47.1 -58.0 -52.3 28.5 70.5 32.6 360 360 A S H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.844 109.8 52.9 -58.6 -39.9 27.8 73.1 35.4 361 361 A Q H X S+ 0 0 92 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.907 111.5 46.9 -61.1 -45.2 26.9 75.8 32.9 362 362 A R H X S+ 0 0 162 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.863 112.0 49.9 -65.1 -38.8 24.3 73.5 31.3 363 363 A I H X S+ 0 0 76 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.929 109.3 52.7 -66.7 -39.7 23.0 72.5 34.8 364 364 A Q H X S+ 0 0 24 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.928 111.4 45.7 -58.4 -47.5 22.7 76.2 35.7 365 365 A Q H X S+ 0 0 60 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.893 112.4 51.1 -63.9 -39.2 20.7 76.9 32.6 366 366 A T H X S+ 0 0 69 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.809 103.2 59.0 -69.5 -31.8 18.5 73.8 33.2 367 367 A E H X S+ 0 0 59 -4,-2.4 4,-2.8 2,-0.2 5,-0.3 0.945 109.8 44.7 -60.3 -46.8 17.8 74.8 36.8 368 368 A L H X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 5,-0.2 0.961 113.2 49.2 -62.5 -49.2 16.3 78.0 35.3 369 369 A E H X S+ 0 0 83 -4,-2.4 4,-0.5 1,-0.2 -1,-0.2 0.872 116.0 43.8 -59.9 -39.2 14.4 76.3 32.6 370 370 A Y H >X S+ 0 0 122 -4,-2.7 4,-1.2 2,-0.2 3,-1.0 0.976 116.2 43.0 -71.2 -55.8 13.0 73.8 35.1 371 371 A Y H 3< S+ 0 0 60 -4,-2.8 10,-0.2 1,-0.2 -2,-0.2 0.802 118.2 46.1 -61.6 -29.0 12.0 76.1 37.9 372 372 A L H 3< S+ 0 0 5 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.520 116.1 45.4 -90.1 -9.0 10.6 78.7 35.5 373 373 A G H << S+ 0 0 52 -3,-1.0 2,-0.4 -4,-0.5 -2,-0.2 0.490 99.0 75.8-112.0 -7.2 8.6 76.2 33.5 374 374 A S X - 0 0 26 -4,-1.2 4,-3.1 1,-0.1 5,-0.2 -0.911 69.0-142.1-109.0 137.7 7.0 74.1 36.2 375 375 A E H > S+ 0 0 110 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.877 108.9 46.0 -61.2 -39.1 4.1 75.2 38.3 376 376 A A H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.891 112.4 50.4 -70.4 -40.3 5.6 73.5 41.3 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.5 1,-0.2 3,-0.4 0.941 109.7 50.7 -62.4 -45.9 9.1 75.0 40.6 378 378 A L H X S+ 0 0 22 -4,-3.1 4,-2.9 1,-0.2 -1,-0.2 0.880 107.5 54.2 -58.2 -42.5 7.5 78.5 40.3 379 379 A A H X S+ 0 0 29 -4,-1.7 4,-2.5 -5,-0.2 5,-0.3 0.828 103.2 54.9 -64.0 -33.4 5.8 78.1 43.6 380 380 A T H X S+ 0 0 53 -4,-1.5 4,-1.1 -3,-0.4 -1,-0.2 0.884 112.8 43.6 -68.4 -36.5 9.0 77.2 45.4 381 381 A I H X S+ 0 0 4 -4,-1.5 4,-2.9 -10,-0.2 -2,-0.2 0.964 115.5 48.4 -69.1 -52.0 10.6 80.5 44.1 382 382 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.905 110.4 47.9 -56.0 -49.5 7.5 82.5 44.9 383 383 A E H X S+ 0 0 100 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.844 117.0 44.3 -64.5 -32.5 6.9 81.4 48.4 384 384 A N H < S+ 0 0 14 -4,-1.1 4,-0.3 -5,-0.3 -1,-0.2 0.877 112.5 52.7 -77.4 -37.1 10.5 81.9 49.3 385 385 A Y H < S+ 0 0 9 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.916 110.6 44.5 -66.6 -45.1 10.6 85.2 47.6 386 386 A V H < S- 0 0 5 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