==== 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 1IUV . 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) . 17298.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 72.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 23 5.8 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 . 24 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 9.1 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 1 1 2 0 0 1 0 1 2 0 1 0 1 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 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 3 2 0 2 2 0 1 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 0 119 0, 0.0 150,-2.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 122.8 22.6 105.7 84.5 2 2 A K B +a 151 0A 133 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.884 360.0 162.0-129.2 158.5 20.2 102.7 84.3 3 3 A T - 0 0 11 148,-1.7 3,-0.2 -2,-0.3 25,-0.1 -0.879 39.4-121.7-156.1 176.5 17.8 101.3 81.7 4 4 A Q S S+ 0 0 48 23,-0.4 149,-2.2 1,-0.3 150,-1.7 0.851 99.1 22.2 -95.9 -49.3 16.0 97.9 81.2 5 5 A V E S-de 28 154B 1 22,-1.7 24,-1.8 148,-0.2 2,-0.4 -0.952 70.2-156.2-124.2 112.3 17.3 97.0 77.8 6 6 A A E -de 29 155B 0 148,-2.5 150,-2.3 -2,-0.5 2,-0.4 -0.731 14.0-158.8 -82.2 138.4 20.5 98.5 76.5 7 7 A I E -de 30 156B 0 22,-3.0 24,-2.9 -2,-0.4 2,-0.7 -0.984 6.5-153.5-125.5 119.8 20.6 98.5 72.7 8 8 A I E +de 31 157B 6 148,-2.0 150,-1.5 -2,-0.4 24,-0.2 -0.847 66.3 27.6 -95.9 111.0 23.9 98.7 70.7 9 9 A G - 0 0 5 22,-3.7 2,-0.5 -2,-0.7 23,-0.2 0.404 59.3-137.8 110.4 121.8 23.3 100.2 67.3 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 149,-0.1 -0.442 63.2 119.2-104.2 54.9 20.7 102.6 65.8 11 11 A G S > S- 0 0 15 -2,-0.5 4,-2.5 147,-0.5 5,-0.3 -0.388 90.6 -74.2-100.6-172.1 20.2 100.7 62.5 12 12 A P H > S+ 0 0 18 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.868 132.8 53.5 -53.7 -35.0 16.8 99.3 61.4 13 13 A S H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.969 112.2 37.3 -65.2 -60.9 17.3 96.5 64.0 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.6 2,-0.2 5,-0.2 0.902 119.4 49.8 -62.1 -38.4 17.9 98.5 67.2 15 15 A L H X S+ 0 0 2 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.936 112.0 47.3 -67.9 -43.7 15.5 101.2 66.2 16 16 A L H X S+ 0 0 4 -4,-2.2 4,-2.5 -5,-0.3 -1,-0.2 0.874 116.3 43.7 -65.2 -38.2 12.7 98.7 65.5 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.857 113.2 51.7 -72.6 -40.7 13.3 96.8 68.7 18 18 A G H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.910 112.0 47.6 -61.7 -40.9 13.6 100.0 70.7 19 19 A Q H X S+ 0 0 12 -4,-2.6 4,-2.0 2,-0.2 -2,-0.2 0.974 112.3 47.0 -65.5 -56.1 10.3 101.2 69.2 20 20 A L H X S+ 0 0 1 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.907 113.4 50.2 -52.6 -43.6 8.5 97.9 69.9 21 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.6 1,-0.2 3,-0.4 0.895 107.2 54.1 -62.0 -43.3 9.8 97.8 73.4 22 22 A H H ><5S+ 0 0 61 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.872 102.1 57.3 -59.8 -41.3 8.8 101.4 74.1 23 23 A K H 3<5S+ 0 0 135 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.819 108.2 47.7 -60.2 -32.0 5.2 100.7 73.1 24 24 A A T 3<5S- 0 0 35 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.393 121.0-109.1 -89.8 4.6 5.0 98.0 75.7 25 25 A G T < 5S+ 0 0 52 -3,-1.6 2,-0.9 1,-0.2 -3,-0.2 0.666 71.8 141.7 78.5 14.6 6.5 100.3 78.4 26 26 A I < - 0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.1 -0.811 49.6-132.1 -93.5 106.9 9.9 98.4 78.5 27 27 A D + 0 0 89 -2,-0.9 -22,-1.7 -3,-0.1 -23,-0.4 -0.267 33.6 168.9 -61.1 144.8 12.5 101.1 78.9 28 28 A N E -d 5 0B 7 -24,-0.2 91,-0.4 -25,-0.1 2,-0.4 -0.984 24.1-150.5-154.8 151.7 15.5 100.9 76.6 29 29 A V E -d 6 0B 5 -24,-1.8 -22,-3.0 -2,-0.3 2,-0.4 -0.989 14.7-147.3-127.1 135.6 18.5 103.1 75.6 30 30 A I E -df 7 120B 0 89,-1.0 91,-2.8 -2,-0.4 2,-0.5 -0.869 6.4-159.7-106.4 139.2 20.1 102.9 72.2 31 31 A L E -df 8 121B 2 -24,-2.9 -22,-3.7 -2,-0.4 2,-0.4 -0.976 10.6-177.6-119.2 124.3 23.9 103.5 71.6 32 32 A E - 0 0 18 89,-2.9 92,-2.5 -2,-0.5 91,-0.3 -0.986 23.5-154.9-127.9 131.2 25.2 104.5 68.2 33 33 A R S S+ 0 0 165 -2,-0.4 -1,-0.1 90,-0.3 89,-0.1 0.872 79.6 53.6 -67.5 -38.3 28.8 105.0 67.2 34 34 A Q S S- 0 0 55 89,-0.1 89,-1.7 1,-0.1 90,-0.2 -0.138 90.9 -91.1 -91.3-174.3 27.9 107.3 64.3 35 35 A T > - 0 0 36 87,-0.2 4,-2.1 1,-0.1 3,-0.4 -0.627 35.7-111.2 -95.8 157.5 25.8 110.4 63.7 36 36 A P H > S+ 0 0 42 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.869 122.0 55.0 -54.2 -33.4 22.1 110.4 62.7 37 37 A D H > S+ 0 0 121 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.898 105.1 48.2 -69.5 -41.8 23.4 111.7 59.4 38 38 A Y H >> S+ 0 0 125 -3,-0.4 3,-2.4 1,-0.2 4,-0.6 0.986 110.0 51.8 -65.4 -53.4 25.8 108.8 58.8 39 39 A V H >< S+ 0 0 6 -4,-2.1 3,-0.9 1,-0.3 -1,-0.2 0.866 108.5 53.3 -50.7 -35.9 23.3 106.1 59.5 40 40 A L H 3< S+ 0 0 49 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.669 95.6 69.7 -75.6 -16.3 20.9 107.8 57.1 41 41 A G H << S+ 0 0 52 -3,-2.4 2,-0.2 -4,-0.7 -1,-0.2 0.700 74.1 98.7 -74.0 -19.2 23.5 107.8 54.3 42 42 A R << - 0 0 71 -3,-0.9 0, 0.0 -4,-0.6 0, 0.0 -0.526 50.6-173.0 -72.9 129.4 23.4 104.0 53.9 43 43 A I + 0 0 25 -2,-0.2 59,-0.6 59,-0.1 60,-0.6 0.912 35.6 128.4 -86.6 -58.8 21.1 103.0 50.9 44 44 A R + 0 0 124 58,-0.1 -1,-0.0 57,-0.1 59,-0.0 0.030 48.8 43.5 43.8-132.4 21.0 99.2 51.2 45 45 A A + 0 0 25 1,-0.1 57,-2.4 56,-0.1 58,-0.3 -0.016 38.5 164.7 -50.0 143.9 17.6 97.4 51.2 46 46 A G + 0 0 7 55,-0.2 54,-1.9 1,-0.2 2,-0.5 0.549 59.4 73.9-130.0 -24.3 14.7 98.1 48.9 47 47 A V E -I 99 0C 13 52,-0.2 2,-0.4 50,-0.0 253,-0.2 -0.819 56.3-173.2-106.6 129.6 12.6 95.0 49.3 48 48 A L E -I 98 0C 0 50,-2.0 50,-2.3 -2,-0.5 2,-0.1 -0.940 17.0-131.5-118.6 139.4 10.5 94.2 52.4 49 49 A E > - 0 0 4 -2,-0.4 4,-2.1 48,-0.2 3,-0.4 -0.382 29.2-105.5 -81.8 175.3 8.5 91.1 53.3 50 50 A Q H > S+ 0 0 55 336,-0.9 4,-1.9 46,-0.4 5,-0.2 0.904 119.7 53.0 -66.2 -46.4 4.9 90.9 54.5 51 51 A G H > S+ 0 0 20 335,-0.3 4,-1.5 1,-0.2 -1,-0.3 0.788 108.7 50.2 -60.8 -32.4 5.9 90.1 58.0 52 52 A M H > S+ 0 0 4 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.899 107.9 52.9 -72.8 -43.4 8.2 93.1 58.1 53 53 A V H X S+ 0 0 15 -4,-2.1 4,-1.0 1,-0.2 -2,-0.2 0.850 112.6 44.8 -59.3 -38.8 5.5 95.4 56.8 54 54 A D H X S+ 0 0 61 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.825 110.0 54.3 -75.3 -32.7 3.1 94.3 59.6 55 55 A L H X S+ 0 0 5 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.894 106.1 52.9 -67.1 -37.1 5.8 94.5 62.2 56 56 A L H <>S+ 0 0 3 -4,-2.2 5,-2.2 1,-0.2 -1,-0.2 0.855 109.6 50.3 -66.8 -30.6 6.3 98.2 61.1 57 57 A R H ><5S+ 0 0 135 -4,-1.0 3,-2.0 3,-0.2 -2,-0.2 0.912 106.5 52.8 -72.3 -43.9 2.6 98.6 61.6 58 58 A E H 3<5S+ 0 0 67 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.849 105.9 54.2 -62.2 -33.3 2.6 97.1 65.1 59 59 A A T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.358 116.3-121.4 -80.9 6.9 5.4 99.5 66.1 60 60 A G T < 5S+ 0 0 53 -3,-2.0 3,-0.2 -5,-0.1 -3,-0.2 0.651 82.4 114.5 62.0 22.8 3.0 102.3 64.8 61 61 A V < + 0 0 15 -5,-2.2 4,-0.1 -6,-0.2 -4,-0.1 -0.370 38.5 97.9-118.4 52.7 5.5 103.5 62.3 62 62 A D > + 0 0 41 -5,-0.2 4,-2.1 -2,-0.1 5,-0.2 0.252 45.9 101.0-123.5 15.5 3.8 102.7 58.9 63 63 A R H > S+ 0 0 162 -3,-0.2 4,-1.4 2,-0.2 3,-0.3 0.996 90.7 34.9 -62.6 -68.3 2.1 106.0 57.9 64 64 A R H > S+ 0 0 63 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.884 118.1 55.3 -55.7 -40.4 4.7 107.2 55.2 65 65 A M H > S+ 0 0 6 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.906 104.5 51.0 -62.1 -42.2 5.3 103.6 54.2 66 66 A A H < S+ 0 0 80 -4,-2.1 -1,-0.2 -3,-0.3 -2,-0.2 0.822 117.7 43.4 -65.5 -23.8 1.7 102.9 53.4 67 67 A R H < S+ 0 0 136 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.952 127.5 21.7 -84.0 -56.7 1.7 106.1 51.4 68 68 A D H < S+ 0 0 70 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.669 97.0 103.2 -89.9 -22.9 5.0 105.9 49.4 69 69 A G < - 0 0 16 -4,-2.1 2,-0.4 -5,-0.5 31,-0.2 -0.114 64.2-136.3 -57.0 164.2 5.7 102.2 49.5 70 70 A L E -J 99 0C 49 29,-1.6 29,-3.0 145,-0.0 2,-0.5 -0.999 7.3-145.6-127.9 121.8 5.0 100.2 46.3 71 71 A V E -J 98 0C 95 -2,-0.4 2,-0.5 27,-0.2 27,-0.2 -0.800 17.2-161.0 -88.4 129.0 3.4 96.8 46.7 72 72 A H E -J 97 0C 13 25,-3.0 25,-1.8 -2,-0.5 126,-0.1 -0.957 17.2-173.0-116.6 128.9 4.7 94.3 44.0 73 73 A E S S+ 0 0 95 -2,-0.5 16,-1.7 23,-0.2 15,-1.0 0.473 72.4 20.9 -96.4 -3.7 2.8 91.2 43.1 74 74 A G E -K 87 0D 2 13,-0.2 125,-0.4 14,-0.2 2,-0.3 -0.968 55.9-157.8-157.8 166.1 5.5 89.8 40.9 75 75 A V E -K 86 0D 5 11,-1.1 11,-2.8 -2,-0.3 2,-0.3 -0.917 23.5-129.7-142.2 156.8 9.2 89.9 40.1 76 76 A E E -Kl 85 200D 19 123,-3.1 125,-3.0 -2,-0.3 2,-0.4 -0.893 11.0-161.6-120.1 153.0 10.9 88.9 36.9 77 77 A I E -Kl 84 201D 4 7,-2.5 7,-1.5 -2,-0.3 2,-0.4 -0.993 10.1-167.3-131.9 120.8 13.8 86.6 35.9 78 78 A A E +Kl 83 202D 3 123,-2.6 125,-2.7 -2,-0.4 2,-0.3 -0.911 19.6 147.9-111.0 134.0 15.5 86.9 32.6 79 79 A F + 0 0 5 3,-1.7 125,-0.1 -2,-0.4 -2,-0.1 -0.961 65.6 15.2-159.2 149.0 17.9 84.4 31.2 80 80 A A S S- 0 0 60 123,-0.4 124,-0.1 -2,-0.3 3,-0.1 0.843 131.9 -61.2 51.6 35.6 18.7 83.1 27.7 81 81 A G S S+ 0 0 67 1,-0.2 2,-0.2 -3,-0.0 -1,-0.2 0.982 112.1 107.6 54.1 71.8 16.9 86.2 26.4 82 82 A Q - 0 0 73 2,-0.1 -3,-1.7 0, 0.0 2,-0.4 -0.718 58.0-141.3-175.8 120.7 13.5 85.5 27.9 83 83 A R E -K 78 0D 77 -2,-0.2 2,-0.4 -5,-0.2 -5,-0.2 -0.774 17.3-171.6 -88.0 139.3 11.7 87.2 30.7 84 84 A R E -K 77 0D 84 -7,-1.5 -7,-2.5 -2,-0.4 2,-0.3 -0.996 12.9-145.1-132.8 124.5 9.6 84.9 32.9 85 85 A R E -K 76 0D 112 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.760 0.6-147.5 -93.8 141.4 7.4 86.5 35.5 86 86 A I E -K 75 0D 2 -11,-2.8 2,-1.6 -2,-0.3 -11,-1.1 -0.939 11.4-143.7-109.0 115.2 6.8 85.0 38.9 87 87 A D E > +K 74 0D 42 -2,-0.6 4,-2.6 1,-0.2 5,-0.3 -0.653 22.4 179.5 -78.5 91.5 3.3 85.7 40.2 88 88 A L H > S+ 0 0 1 -2,-1.6 4,-2.8 -15,-1.0 7,-0.3 0.953 78.5 47.6 -57.8 -53.3 4.2 86.1 43.9 89 89 A K H >>S+ 0 0 84 -16,-1.7 5,-3.3 2,-0.2 4,-1.0 0.939 117.2 41.0 -55.0 -53.2 0.6 86.9 44.9 90 90 A R H >45S+ 0 0 146 -17,-0.3 3,-1.1 1,-0.2 -2,-0.2 0.992 121.5 41.4 -59.9 -59.7 -0.9 84.0 43.0 91 91 A L H 3<5S+ 0 0 31 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.691 116.6 46.5 -62.7 -27.7 1.8 81.5 43.9 92 92 A S H 3<5S- 0 0 20 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.574 116.1-109.6 -92.6 -9.9 2.2 82.4 47.5 93 93 A G T <<5S- 0 0 59 -3,-1.1 -3,-0.2 -4,-1.0 -2,-0.1 0.947 85.0 -27.1 80.8 52.5 -1.5 82.5 48.1 94 94 A G S - 0 0 1 113,-0.3 4,-2.2 -2,-0.3 3,-0.5 -0.076 14.9-130.0 -48.8 145.1 14.1 102.0 50.9 102 102 A Q H > S+ 0 0 18 -57,-2.4 4,-3.3 -59,-0.6 5,-0.2 0.849 109.1 63.6 -66.3 -28.9 15.8 101.1 54.1 103 103 A T H > S+ 0 0 25 -60,-0.6 4,-1.9 -58,-0.3 -1,-0.2 0.888 105.7 45.3 -60.3 -40.9 16.9 104.8 54.3 104 104 A E H > S+ 0 0 50 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.935 111.4 50.6 -69.5 -49.4 13.2 105.7 54.6 105 105 A V H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 5,-0.2 0.948 113.3 46.4 -54.1 -48.6 12.4 103.0 57.1 106 106 A T H X S+ 0 0 4 -4,-3.3 4,-1.8 1,-0.2 -1,-0.2 0.879 111.2 52.7 -61.7 -36.5 15.4 104.1 59.3 107 107 A R H X S+ 0 0 74 -4,-1.9 4,-1.6 -5,-0.2 -1,-0.2 0.855 109.0 49.6 -67.1 -37.6 14.2 107.8 58.9 108 108 A D H X S+ 0 0 11 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.846 111.9 46.6 -69.3 -41.0 10.7 106.9 60.1 109 109 A L H X S+ 0 0 1 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.840 109.5 55.6 -71.0 -32.8 11.8 105.0 63.2 110 110 A M H X S+ 0 0 27 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.905 111.5 43.7 -65.1 -41.6 14.3 107.8 64.0 111 111 A E H X S+ 0 0 90 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.887 112.5 51.2 -68.7 -44.9 11.4 110.3 63.9 112 112 A A H X S+ 0 0 23 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.863 112.2 48.6 -61.5 -35.7 9.0 108.1 65.9 113 113 A R H <>S+ 0 0 4 -4,-2.0 5,-1.5 2,-0.2 4,-0.3 0.851 110.7 49.1 -74.9 -34.8 11.7 107.6 68.5 114 114 A E H ><5S+ 0 0 162 -4,-1.5 3,-0.6 2,-0.2 -2,-0.2 0.873 109.9 51.4 -71.8 -38.7 12.5 111.3 68.8 115 115 A A H 3<5S+ 0 0 88 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.970 109.2 49.0 -62.1 -53.1 8.9 112.3 69.2 116 116 A C T 3<5S- 0 0 76 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.574 109.8-128.1 -64.9 -8.4 8.3 109.8 72.0 117 117 A G T < 5 + 0 0 60 -3,-0.6 -3,-0.2 -4,-0.3 2,-0.1 0.712 47.2 161.4 69.8 27.7 11.4 111.1 73.7 118 118 A A < - 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0 0 13 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.927 35.8-103.9-125.2 146.5 22.9 86.7 53.6 292 292 A P > - 0 0 0 0, 0.0 3,-1.1 0, 0.0 5,-0.4 -0.548 35.3-115.6 -70.7 145.8 23.9 87.7 50.0 293 293 A P G > S+ 0 0 53 0, 0.0 3,-1.4 0, 0.0 -25,-0.0 0.608 95.6 94.5 -52.7 -18.6 21.5 90.4 48.7 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.1 0.848 92.4 37.1 -47.0 -43.9 20.2 88.1 45.9 295 295 A G G < S- 0 0 0 -3,-1.1 -1,-0.3 44,-0.1 48,-0.1 0.526 100.8-130.4 -88.5 -8.7 17.3 86.9 48.0 296 296 A A < + 0 0 21 -3,-1.4 4,-0.2 -4,-0.3 -2,-0.1 0.880 67.9 126.0 61.2 43.8 16.5 90.3 49.7 297 297 A K > + 0 0 5 -5,-0.4 4,-2.7 2,-0.1 5,-0.3 0.672 37.2 88.3-105.6 -20.8 16.4 88.6 53.1 298 298 A G H >> S+ 0 0 19 2,-0.2 4,-1.8 1,-0.2 3,-0.6 0.900 97.5 32.0 -41.8 -73.3 18.9 90.6 55.3 299 299 A L H 3> S+ 0 0 20 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.899 118.8 59.3 -57.3 -37.6 16.8 93.4 56.7 300 300 A N H 3> S+ 0 0 2 1,-0.2 4,-1.5 -253,-0.2 -1,-0.2 0.840 104.3 47.1 -64.5 -32.3 13.9 91.0 56.7 301 301 A L H S+ 0 0 23 -4,-1.8 4,-2.6 2,-0.2 5,-1.3 0.958 108.2 47.2 -71.3 -55.1 7.7 90.8 77.1 315 315 A K H X5S+ 0 0 45 -4,-1.6 6,-1.3 1,-0.2 4,-1.1 0.974 115.5 47.7 -49.0 -54.7 7.0 87.4 78.5 316 316 A A H <5S+ 0 0 12 -4,-2.5 6,-0.4 5,-0.4 -1,-0.2 0.798 124.3 29.8 -55.9 -39.9 10.1 87.9 80.7 317 317 A Y H <5S+ 0 0 57 -4,-1.7 -2,-0.2 -5,-0.2 -3,-0.2 0.922 129.5 31.1 -87.9 -57.6 9.2 91.4 81.9 318 318 A R H <5S+ 0 0 180 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.941 133.3 32.2 -70.4 -45.2 5.4 91.6 81.9 319 319 A E S < + 0 0 77 -6,-1.3 3,-1.0 -7,-0.2 -5,-0.4 -0.539 9.1 153.3-119.1 66.4 9.0 84.6 82.5 322 322 A G G > + 0 0 35 -6,-0.4 3,-0.6 -2,-0.3 -1,-0.1 0.593 63.2 69.0 -72.0 -13.5 12.8 85.0 82.2 323 323 A E G > S+ 0 0 98 1,-0.2 3,-1.3 2,-0.1 -1,-0.2 0.734 85.7 71.4 -77.4 -18.7 13.5 81.3 81.4 324 324 A L G X S+ 0 0 19 -3,-1.0 3,-2.0 1,-0.3 4,-0.2 0.763 79.3 75.4 -68.3 -23.6 11.8 81.6 78.0 325 325 A L G X S+ 0 0 6 -3,-0.6 3,-1.0 1,-0.3 4,-0.3 0.656 77.1 75.7 -65.2 -12.7 14.7 83.7 76.7 326 326 A E G < S+ 0 0 151 -3,-1.3 4,-0.3 1,-0.2 -1,-0.3 0.621 89.7 60.9 -74.2 -7.5 16.9 80.6 76.4 327 327 A R G <> S+ 0 0 86 -3,-2.0 4,-3.1 1,-0.2 5,-0.3 0.608 74.6 93.2 -93.1 -16.8 14.8 79.8 73.3 328 328 A Y H <> S+ 0 0 0 -3,-1.0 4,-2.6 1,-0.2 5,-0.2 0.883 87.9 45.3 -44.8 -54.4 15.7 82.8 71.3 329 329 A S H > S+ 0 0 10 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.906 113.9 49.0 -58.6 -48.7 18.5 81.2 69.5 330 330 A A H > S+ 0 0 48 -4,-0.3 4,-1.2 1,-0.2 -2,-0.2 0.977 114.0 46.1 -56.5 -54.1 16.6 78.0 68.8 331 331 A I H X S+ 0 0 6 -4,-3.1 4,-0.8 1,-0.2 3,-0.2 0.899 115.4 45.6 -56.7 -45.2 13.6 79.9 67.4 332 332 A C H X S+ 0 0 6 -4,-2.6 4,-2.3 -5,-0.3 3,-0.3 0.873 102.9 59.8 -68.9 -42.9 15.6 82.2 65.2 333 333 A L H X S+ 0 0 22 -4,-2.2 4,-3.3 1,-0.2 5,-0.3 0.850 96.1 62.8 -58.8 -34.0 18.0 79.8 63.5 334 334 A R H X S+ 0 0 116 -4,-1.2 4,-1.4 1,-0.2 -1,-0.2 0.944 111.7 37.0 -57.0 -48.6 15.3 77.8 62.0 335 335 A R H X S+ 0 0 27 -4,-0.8 4,-2.5 -3,-0.3 -1,-0.2 0.859 115.3 57.2 -71.9 -33.4 14.1 80.8 59.9 336 336 A I H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.939 106.6 47.0 -63.9 -47.4 17.7 81.9 59.4 337 337 A W H X S+ 0 0 97 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.867 112.7 48.6 -65.9 -33.5 18.8 78.7 57.8 338 338 A K H X S+ 0 0 113 -4,-1.4 4,-2.2 -5,-0.3 -1,-0.2 0.947 114.5 46.4 -71.0 -41.8 15.8 78.5 55.5 339 339 A A H X S+ 0 0 10 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.867 112.8 50.3 -64.3 -38.7 16.4 82.1 54.5 340 340 A E H X S+ 0 0 8 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.948 109.7 50.4 -64.3 -48.6 20.2 81.5 54.1 341 341 A R H X S+ 0 0 112 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.891 112.0 48.0 -58.5 -40.5 19.5 78.4 51.9 342 342 A F H X S+ 0 0 2 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.939 112.2 48.0 -65.6 -46.3 17.1 80.5 49.7 343 343 A S H X S+ 0 0 0 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.870 111.7 50.9 -61.0 -37.2 19.6 83.3 49.3 344 344 A W H X S+ 0 0 114 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.944 110.2 49.3 -67.3 -42.8 22.3 80.9 48.5 345 345 A W H X S+ 0 0 19 -4,-2.4 4,-1.8 1,-0.2 5,-0.2 0.918 110.0 50.4 -64.1 -45.1 20.2 79.2 45.8 346 346 A M H X S+ 0 0 3 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.942 111.6 49.0 -57.3 -49.5 19.2 82.5 44.2 347 347 A T H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.883 110.5 50.6 -58.5 -41.6 22.9 83.6 44.1 348 348 A S H < S+ 0 0 34 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.796 114.2 41.9 -73.7 -26.0 24.0 80.3 42.5 349 349 A V H < S+ 0 0 5 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.710 119.6 42.4 -91.8 -19.9 21.4 80.3 39.8 350 350 A L H < S+ 0 0 0 -4,-1.9 -146,-0.4 -5,-0.2 2,-0.2 0.755 102.2 67.5 -96.8 -26.9 21.7 84.0 38.8 351 351 A H S < S- 0 0 0 -4,-1.8 2,-0.5 -5,-0.2 -148,-0.1 -0.547 76.1-119.8 -95.3 163.0 25.4 84.9 38.9 352 352 A R - 0 0 57 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.845 27.7-153.0-100.7 126.7 28.3 83.8 36.7 353 353 A F > - 0 0 58 -2,-0.5 3,-0.5 1,-0.1 -170,-0.0 -0.817 13.0-127.1 -99.4 146.0 31.0 81.9 38.6 354 354 A P T 3 S+ 0 0 93 0, 0.0 2,-1.8 0, 0.0 -1,-0.1 0.970 95.7 37.6 -56.9 -74.1 34.7 81.9 37.4 355 355 A D T 3 S+ 0 0 156 2,-0.0 2,-0.6 0, 0.0 0, 0.0 -0.373 81.9 153.4 -85.3 65.7 36.1 78.3 37.2 356 356 A T < - 0 0 41 -2,-1.8 2,-0.1 -3,-0.5 -4,-0.0 -0.830 32.0-148.4-102.2 118.0 32.9 76.8 35.8 357 357 A D > - 0 0 100 -2,-0.6 4,-1.8 1,-0.1 3,-0.5 -0.370 32.0 -99.9 -79.0 160.0 33.0 73.7 33.7 358 358 A A H > S+ 0 0 76 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.804 119.5 54.9 -47.4 -43.8 30.5 72.9 30.9 359 359 A F H > S+ 0 0 153 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.939 108.9 47.5 -60.4 -46.9 28.4 70.5 33.0 360 360 A S H > S+ 0 0 58 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.894 111.0 52.6 -60.1 -41.8 27.8 73.1 35.8 361 361 A Q H X S+ 0 0 73 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.966 111.8 45.3 -56.8 -56.2 26.9 75.8 33.2 362 362 A R H X S+ 0 0 169 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 112.2 51.5 -56.3 -44.7 24.3 73.5 31.7 363 363 A I H X S+ 0 0 74 -4,-2.9 4,-2.1 1,-0.2 -1,-0.2 0.908 107.8 53.4 -61.2 -38.5 23.0 72.5 35.2 364 364 A Q H X S+ 0 0 24 -4,-2.7 4,-1.7 1,-0.2 -1,-0.2 0.907 110.5 45.9 -61.3 -44.4 22.6 76.2 36.1 365 365 A Q H X S+ 0 0 66 -4,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.888 111.8 50.9 -66.8 -40.4 20.5 76.9 33.0 366 366 A T H X S+ 0 0 72 -4,-2.2 4,-3.3 2,-0.2 -1,-0.2 0.816 104.4 58.4 -68.2 -31.7 18.3 73.8 33.5 367 367 A E H X S+ 0 0 58 -4,-2.1 4,-2.6 2,-0.2 5,-0.4 0.954 110.9 43.1 -60.6 -48.6 17.7 74.9 37.1 368 368 A L H X S+ 0 0 3 -4,-1.7 4,-2.5 2,-0.2 5,-0.2 0.983 114.1 49.5 -61.2 -53.8 16.3 78.1 35.7 369 369 A E H X S+ 0 0 90 -4,-2.9 4,-0.5 1,-0.2 -2,-0.2 0.908 116.8 43.4 -52.7 -44.2 14.4 76.4 33.0 370 370 A Y H >X S+ 0 0 124 -4,-3.3 4,-1.8 2,-0.2 3,-1.0 0.960 117.3 38.7 -68.5 -60.1 12.9 73.9 35.5 371 371 A Y H 3< S+ 0 0 62 -4,-2.6 10,-0.2 1,-0.2 -1,-0.2 0.822 120.2 50.1 -61.5 -29.9 11.9 76.0 38.5 372 372 A L H 3< S+ 0 0 5 -4,-2.5 -1,-0.2 -5,-0.4 -2,-0.2 0.509 115.5 41.0 -84.3 -11.6 10.7 78.7 36.1 373 373 A G H << S+ 0 0 49 -3,-1.0 2,-0.4 -4,-0.5 -2,-0.2 0.597 100.4 80.2-110.3 -15.6 8.6 76.4 34.0 374 374 A S X - 0 0 28 -4,-1.8 4,-3.0 1,-0.1 5,-0.3 -0.755 69.4-141.4 -97.0 139.8 7.1 74.2 36.7 375 375 A E H > S+ 0 0 102 -2,-0.4 4,-1.3 1,-0.2 -1,-0.1 0.844 109.6 44.4 -66.3 -31.9 4.0 75.2 38.7 376 376 A A H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.835 112.7 52.1 -79.1 -31.3 5.6 73.6 41.8 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.3 2,-0.2 3,-0.2 0.940 109.7 48.5 -68.9 -44.6 9.0 75.1 40.9 378 378 A L H X S+ 0 0 15 -4,-3.0 4,-2.8 1,-0.2 3,-0.3 0.891 107.7 56.4 -62.0 -40.5 7.6 78.6 40.7 379 379 A A H X S+ 0 0 28 -4,-1.3 4,-2.6 -5,-0.3 5,-0.3 0.877 103.2 53.4 -62.7 -35.6 5.8 78.1 44.0 380 380 A T H X S+ 0 0 51 -4,-1.5 4,-0.9 -3,-0.2 -1,-0.2 0.835 111.8 46.5 -66.8 -33.5 9.1 77.3 45.8 381 381 A I H X S+ 0 0 2 -4,-1.3 4,-2.6 -3,-0.3 3,-0.2 0.979 115.3 46.7 -69.9 -51.7 10.6 80.5 44.5 382 382 A A H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 5,-0.4 0.887 110.0 48.0 -57.5 -54.1 7.5 82.6 45.5 383 383 A E H X S+ 0 0 99 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.858 116.9 45.8 -60.0 -32.7 6.8 81.4 49.0 384 384 A N H < S+ 0 0 12 -4,-0.9 4,-0.3 -5,-0.3 -1,-0.2 0.883 112.7 50.9 -77.5 -34.8 10.5 81.9 49.8 385 385 A Y H < S+ 0 0 5 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.948 110.7 45.3 -69.2 -48.6 10.5 85.3 48.2 386 386 A V H < S- 0 0 4 -4,-3.0 -336,-0.9 -5,-0.1 -335,-0.3 0.745 127.9-104.8 -65.1 -20.1 7.5 86.7 50.0 387 387 A G < - 0 0 9 -4,-0.6 -2,-0.2 -5,-0.4 -1,-0.1 0.239 27.6 -91.5 104.1 131.7 9.1 85.1 53.0 388 388 A L - 0 0 36 -4,-0.3 -337,-0.1 1,-0.1 -4,-0.0 -0.308 58.2 -85.2 -68.7 157.6 8.4 82.0 55.0 389 389 A P - 0 0 110 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.307 41.5-112.2 -65.5 149.4 6.0 82.5 58.0 390 390 A Y - 0 0 66 -3,-0.1 2,-0.3 1,-0.1 -86,-0.0 -0.429 36.9-106.9 -74.9 156.7 7.3 83.6 61.5 391 391 A E - 0 0 75 -2,-0.1 -1,-0.1 1,-0.1 -60,-0.0 -0.668 17.3-131.2 -90.2 147.5 7.1 81.1 64.3 392 392 A E - 0 0 162 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.0 0.855 38.9-131.5 -59.7 -47.3 4.6 81.4 67.1 393 393 A I 0 0 17 -66,-0.0 -1,-0.1 -62,-0.0 -85,-0.0 0.274 360.0 360.0 94.4 140.8 6.8 80.9 70.2 394 394 A E 0 0 106 -70,-0.1 -2,-0.0 -2,-0.0 -70,-0.0 0.987 360.0 360.0 75.6 360.0 6.3 78.6 73.2