==== 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 27-SEP-94 1PXA . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.S.LAH,B.A.PALFEY,H.A.SCHREUDER,M.L.LUDWIG . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 299 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.3 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 . 2 0.5 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 . 33 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.2 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 2 1 0 1 1 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 2 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 PARALLEL BRIDGES PER LADDER . 0 3 2 1 0 3 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 0 113 0, 0.0 150,-3.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 155.9 23.5 106.0 84.0 2 2 A K B +a 151 0A 181 148,-0.2 2,-0.3 150,-0.0 150,-0.2 -0.979 360.0 151.0-142.3 145.7 20.6 103.4 83.8 3 3 A T - 0 0 14 148,-2.3 3,-0.1 -2,-0.3 25,-0.1 -0.929 41.7-120.5-149.8 174.4 18.1 101.8 81.5 4 4 A Q S S+ 0 0 54 1,-0.3 149,-2.3 -2,-0.3 150,-1.2 0.946 98.5 17.9 -88.1 -50.3 16.1 98.5 81.0 5 5 A V E -de 28 154B 2 22,-1.6 24,-2.4 147,-0.2 2,-0.5 -0.960 68.4-157.3-117.1 126.9 17.3 97.5 77.5 6 6 A A E -de 29 155B 0 148,-2.5 150,-2.9 -2,-0.4 2,-0.5 -0.927 9.3-162.2-104.9 130.5 20.6 98.9 75.8 7 7 A I E -de 30 156B 0 22,-2.9 24,-2.7 -2,-0.5 2,-0.6 -0.970 6.4-153.0-116.9 122.4 20.6 98.6 72.0 8 8 A I E +de 31 157B 8 148,-2.8 150,-2.6 -2,-0.5 24,-0.2 -0.871 68.8 32.8 -96.9 118.0 24.1 98.9 70.2 9 9 A G - 0 0 6 22,-3.0 23,-0.2 -2,-0.6 150,-0.1 0.405 60.4-143.9 103.0 122.4 23.4 100.2 66.7 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 149,-0.1 -0.268 61.8 107.0-111.6 49.9 20.7 102.6 65.2 11 11 A G S > S- 0 0 18 147,-0.5 4,-2.4 29,-0.0 5,-0.4 -0.371 96.5 -58.0-100.6-169.1 20.0 101.1 61.8 12 12 A P H > S+ 0 0 17 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.886 137.4 45.7 -40.4 -50.6 16.7 99.2 60.8 13 13 A S H > S+ 0 0 15 2,-0.2 4,-1.9 1,-0.2 5,-0.3 0.946 113.9 43.9 -64.3 -47.6 17.2 96.7 63.6 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.4 1,-0.2 -4,-0.2 0.966 117.6 46.9 -63.6 -40.1 18.2 98.9 66.6 15 15 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.915 111.6 47.8 -75.2 -39.9 15.5 101.4 65.8 16 16 A L H X S+ 0 0 5 -4,-2.2 4,-2.1 -5,-0.4 5,-0.2 0.953 114.2 45.8 -69.5 -42.4 12.7 99.0 65.3 17 17 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.958 114.2 52.2 -54.6 -50.3 13.4 97.0 68.5 18 18 A G H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.3 -2,-0.2 0.887 111.6 44.6 -50.8 -51.7 13.7 100.4 70.3 19 19 A Q H X S+ 0 0 11 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.892 111.5 50.6 -62.8 -44.3 10.4 101.7 69.1 20 20 A L H X S+ 0 0 2 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.977 114.0 46.3 -63.1 -48.4 8.4 98.5 69.8 21 21 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.8 -5,-0.2 3,-0.8 0.910 108.0 54.6 -61.6 -43.7 9.7 98.4 73.3 22 22 A H H ><5S+ 0 0 66 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.981 106.6 53.3 -59.5 -47.8 9.1 102.1 74.0 23 23 A K H 3<5S+ 0 0 131 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.759 106.0 53.4 -55.3 -23.0 5.5 101.7 73.1 24 24 A A T <<5S- 0 0 33 -4,-1.1 -1,-0.3 -3,-0.8 -2,-0.2 0.378 121.9-102.1 -95.3 3.6 5.1 98.7 75.5 25 25 A G T < 5S+ 0 0 59 -3,-2.0 2,-0.8 -4,-0.5 -3,-0.2 0.471 82.0 130.9 88.1 8.7 6.4 100.7 78.5 26 26 A I < - 0 0 6 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.797 53.0-136.2 -98.4 110.1 9.8 99.1 78.4 27 27 A D + 0 0 93 -2,-0.8 -22,-1.6 -3,-0.1 2,-0.3 -0.380 28.6 172.2 -68.9 148.3 12.6 101.7 78.5 28 28 A N E -d 5 0B 7 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.990 23.3-146.7-156.1 146.8 15.7 101.5 76.2 29 29 A V E -df 6 119B 4 -24,-2.4 -22,-2.9 -2,-0.3 2,-0.4 -0.975 13.5-148.5-115.9 128.8 18.7 103.4 75.1 30 30 A I E -df 7 120B 0 89,-1.9 91,-2.9 -2,-0.4 2,-0.5 -0.802 7.8-161.9 -96.6 135.9 20.3 103.2 71.6 31 31 A L E +df 8 121B 2 -24,-2.7 -22,-3.0 -2,-0.4 2,-0.4 -0.950 11.0 179.3-113.9 118.7 24.1 103.7 71.1 32 32 A E E - f 0 122B 17 89,-2.5 92,-1.9 -2,-0.5 91,-0.6 -0.949 24.5-156.5-129.7 120.0 25.5 104.6 67.6 33 33 A R S S+ 0 0 157 -2,-0.4 -1,-0.1 90,-0.3 2,-0.1 0.827 79.9 53.1 -53.2 -44.4 29.2 105.1 66.6 34 34 A Q S S- 0 0 59 1,-0.1 89,-2.0 89,-0.1 90,-0.3 -0.184 90.7 -92.9 -88.0-177.4 28.2 107.3 63.6 35 35 A T > - 0 0 33 87,-0.2 4,-2.5 88,-0.1 5,-0.3 -0.557 32.9-110.7 -85.5 157.9 26.1 110.4 63.0 36 36 A P H > S+ 0 0 43 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.915 121.6 52.1 -50.1 -41.2 22.4 110.5 61.9 37 37 A D H > S+ 0 0 130 2,-0.2 4,-1.1 1,-0.2 -3,-0.0 0.926 108.6 47.1 -63.7 -49.3 23.6 111.9 58.6 38 38 A Y H >> S+ 0 0 133 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.950 110.9 52.2 -67.2 -45.6 26.2 109.0 58.0 39 39 A V H >< S+ 0 0 9 -4,-2.5 3,-1.0 1,-0.3 -1,-0.2 0.918 109.9 50.1 -55.8 -38.3 23.6 106.4 58.9 40 40 A L H 3< S+ 0 0 50 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.742 95.0 71.7 -76.3 -16.6 21.1 107.9 56.3 41 41 A G H << S+ 0 0 49 -4,-1.1 2,-0.9 -3,-1.0 -1,-0.2 0.693 74.4 99.7 -66.6 -16.8 23.7 108.0 53.5 42 42 A R << - 0 0 81 -3,-1.0 -1,-0.1 -4,-0.6 -4,-0.0 -0.566 52.4-173.2 -79.4 104.8 23.5 104.2 53.2 43 43 A I + 0 0 25 -2,-0.9 60,-0.5 1,-0.1 59,-0.5 0.842 33.8 134.5 -71.7 -35.1 21.2 103.4 50.2 44 44 A R + 0 0 124 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 0.284 46.3 38.9 26.5-126.8 20.9 99.5 50.7 45 45 A A + 0 0 27 1,-0.1 57,-2.4 56,-0.1 58,-0.2 -0.154 35.9 168.4 -51.2 133.4 17.5 97.8 50.5 46 46 A G + 0 0 10 55,-0.2 54,-2.3 1,-0.1 2,-0.5 0.651 62.8 71.0-110.4 -26.7 14.5 98.3 48.2 47 47 A V E +I 99 0C 19 52,-0.2 2,-0.3 50,-0.0 52,-0.2 -0.814 54.1 179.7-107.0 122.3 12.2 95.2 48.8 48 48 A L E -I 98 0C 3 50,-2.7 50,-2.7 -2,-0.5 2,-0.2 -0.890 13.9-144.5-110.6 142.3 10.3 94.6 52.0 49 49 A E > - 0 0 10 -2,-0.3 4,-2.4 48,-0.2 3,-0.3 -0.546 34.8 -89.9-104.7-177.1 8.0 91.6 52.8 50 50 A Q H > S+ 0 0 51 336,-0.7 4,-2.7 46,-0.4 5,-0.2 0.846 120.1 56.7 -60.5 -35.7 4.7 91.2 54.8 51 51 A G H > S+ 0 0 14 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.923 111.9 41.5 -59.3 -49.5 6.4 90.6 58.2 52 52 A M H > S+ 0 0 5 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.818 112.9 54.3 -69.1 -35.3 8.4 93.8 58.1 53 53 A V H X S+ 0 0 21 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.976 111.9 45.7 -60.2 -42.4 5.3 95.8 56.7 54 54 A D H X S+ 0 0 59 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.822 111.9 50.2 -71.6 -37.5 3.2 94.5 59.7 55 55 A L H X S+ 0 0 4 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.821 106.7 53.9 -63.7 -40.4 5.9 95.3 62.3 56 56 A L H <>S+ 0 0 7 -4,-1.7 5,-2.3 2,-0.2 -2,-0.2 0.927 112.2 46.1 -68.1 -35.8 6.3 98.8 61.0 57 57 A R H ><5S+ 0 0 139 -4,-1.9 3,-2.9 3,-0.2 -2,-0.2 0.963 108.1 56.3 -65.6 -45.1 2.6 99.2 61.4 58 58 A E H 3<5S+ 0 0 70 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.899 107.4 49.4 -55.3 -35.2 2.8 97.5 65.0 59 59 A A T 3<5S- 0 0 3 -4,-2.3 -1,-0.3 -5,-0.1 -2,-0.2 0.339 117.1-119.6 -84.1 12.8 5.4 100.2 65.9 60 60 A G T < 5S+ 0 0 55 -3,-2.9 3,-0.2 1,-0.1 -3,-0.2 0.727 83.9 115.0 55.1 27.2 2.9 102.9 64.6 61 61 A V < + 0 0 18 -5,-2.3 4,-0.2 -6,-0.2 -4,-0.2 -0.151 38.1 102.9-113.9 45.0 5.5 104.0 62.0 62 62 A D > + 0 0 50 -5,-0.2 4,-2.6 -6,-0.1 -1,-0.1 0.620 44.4 98.2-104.2 -8.8 3.6 103.0 58.7 63 63 A R H > S+ 0 0 144 -3,-0.2 4,-1.5 2,-0.2 5,-0.2 0.826 85.9 39.7 -46.0 -65.6 2.2 106.2 57.3 64 64 A R H >>S+ 0 0 83 2,-0.2 4,-2.8 1,-0.2 5,-0.6 0.859 117.0 53.9 -62.5 -31.9 4.7 107.4 54.6 65 65 A M H >5S+ 0 0 14 3,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.963 104.5 52.8 -71.1 -43.9 5.1 103.7 53.6 66 66 A A H <5S+ 0 0 81 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.872 121.2 33.2 -58.6 -34.3 1.3 103.3 53.1 67 67 A R H <5S+ 0 0 130 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.876 133.0 26.4 -81.3 -49.9 1.3 106.4 50.8 68 68 A D H <5S+ 0 0 69 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.750 94.4 96.0 -90.8 -29.6 4.6 106.1 49.1 69 69 A G << - 0 0 16 -4,-2.0 2,-0.6 -5,-0.6 31,-0.2 -0.260 69.5-126.5 -61.6 151.6 5.7 102.4 49.1 70 70 A L E -J 99 0C 56 29,-2.6 29,-3.2 144,-0.1 2,-0.6 -0.864 10.0-145.1-104.6 118.4 5.0 100.4 46.0 71 71 A V E -J 98 0C 93 -2,-0.6 2,-0.4 27,-0.2 27,-0.2 -0.682 21.0-163.9 -79.2 121.4 3.1 97.0 46.3 72 72 A H E -J 97 0C 10 25,-3.2 25,-2.1 -2,-0.6 126,-0.1 -0.935 18.2-174.4-107.4 138.0 4.5 94.6 43.7 73 73 A E + 0 0 84 -2,-0.4 16,-1.6 23,-0.2 15,-1.3 0.517 69.2 14.6-106.3 -11.1 2.7 91.4 42.5 74 74 A G E -K 87 0D 0 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.917 55.5-155.0-148.2 173.8 5.3 89.8 40.3 75 75 A V E -K 86 0D 3 11,-1.1 11,-2.1 -2,-0.3 2,-0.4 -0.954 21.1-130.1-145.1 155.7 9.1 90.0 39.4 76 76 A E E -Kl 85 200D 25 123,-3.1 125,-2.7 -2,-0.3 2,-0.5 -0.855 7.8-156.0-112.2 142.0 10.8 88.9 36.1 77 77 A I E -Kl 84 201D 9 7,-2.7 7,-2.3 -2,-0.4 2,-0.5 -0.968 11.7-158.0-107.8 127.0 13.9 86.6 35.6 78 78 A A E +Kl 83 202D 6 123,-3.5 125,-2.9 -2,-0.5 2,-0.3 -0.938 26.1 148.2-103.7 126.1 15.8 87.1 32.3 79 79 A F E > -K 82 0D 7 3,-0.9 3,-1.2 -2,-0.5 125,-0.1 -0.979 60.8 -6.7-149.2 142.2 17.9 84.2 31.0 80 80 A A T 3 S- 0 0 64 123,-0.4 2,-0.6 -2,-0.3 3,-0.1 0.831 125.5 -49.4 43.1 50.8 19.0 82.9 27.4 81 81 A G T 3 S+ 0 0 83 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 -0.001 119.3 107.2 82.9 -35.9 16.7 85.2 25.2 82 82 A Q E < -K 79 0D 68 -3,-1.2 -3,-0.9 -2,-0.6 -1,-0.2 -0.215 52.7-161.5 -70.9 165.2 13.7 84.3 27.4 83 83 A R E -K 78 0D 93 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.800 14.9-171.2-152.1 95.2 12.0 86.7 29.9 84 84 A R E -K 77 0D 98 -7,-2.3 -7,-2.7 -2,-0.2 2,-0.5 -0.773 12.4-146.9-107.9 127.4 9.8 84.9 32.5 85 85 A R E -K 76 0D 105 -2,-0.4 2,-0.7 -9,-0.2 -9,-0.2 -0.809 2.3-154.6 -92.9 128.2 7.4 86.4 35.1 86 86 A I E -K 75 0D 0 -11,-2.1 2,-1.1 -2,-0.5 -11,-1.1 -0.918 15.7-145.7 -88.2 102.7 6.8 84.7 38.5 87 87 A D E > -K 74 0D 38 -2,-0.7 4,-2.3 -13,-0.2 -13,-0.2 -0.727 18.0-174.8 -73.4 102.1 3.3 85.9 39.6 88 88 A L H > S+ 0 0 0 -15,-1.3 4,-0.7 -2,-1.1 7,-0.3 0.796 74.2 61.8 -68.9 -33.9 3.9 86.1 43.4 89 89 A K H >>S+ 0 0 71 -16,-1.6 5,-2.8 5,-0.2 4,-0.6 0.993 116.9 27.2 -61.1 -53.5 0.3 87.0 44.3 90 90 A R H 45S+ 0 0 151 -17,-0.2 3,-0.4 1,-0.2 -2,-0.2 0.861 115.9 56.8 -87.4 -29.7 -1.1 83.7 42.9 91 91 A L H <5S+ 0 0 21 -4,-2.3 292,-0.3 1,-0.2 -1,-0.2 0.599 120.7 33.9 -70.7 -5.2 1.8 81.3 43.3 92 92 A S H <5S- 0 0 31 -4,-0.7 -1,-0.2 -3,-0.5 -2,-0.2 0.424 117.8 -99.5-126.5 2.4 1.8 82.1 47.1 93 93 A G T <5S- 0 0 67 -4,-0.6 -3,-0.2 -3,-0.4 -4,-0.1 0.969 86.4 -33.3 79.7 51.1 -1.8 82.7 48.0 94 94 A G S > - 0 0 4 113,-0.4 4,-2.2 -2,-0.3 3,-0.7 -0.188 13.9-130.8 -61.3 146.6 13.8 102.3 50.2 102 102 A Q H 3> S+ 0 0 21 -57,-2.4 4,-2.3 -59,-0.5 5,-0.2 0.830 107.4 61.5 -61.9 -30.0 15.8 101.5 53.3 103 103 A T H 3> S+ 0 0 29 -60,-0.5 4,-1.2 -58,-0.2 -1,-0.2 0.885 108.9 44.7 -60.6 -35.0 16.9 105.2 53.6 104 104 A E H <> S+ 0 0 57 -3,-0.7 4,-2.5 2,-0.2 -2,-0.2 0.920 108.6 53.5 -79.0 -48.4 13.3 106.0 54.0 105 105 A V H X S+ 0 0 5 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.869 112.1 47.3 -49.6 -46.6 12.5 103.2 56.5 106 106 A T H X S+ 0 0 5 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.856 109.7 53.5 -68.1 -34.7 15.3 104.5 58.7 107 107 A R H X S+ 0 0 67 -4,-1.2 4,-2.6 -5,-0.2 -2,-0.2 0.918 106.1 52.2 -67.5 -43.8 14.1 108.1 58.4 108 108 A D H X S+ 0 0 14 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.906 114.3 42.3 -60.9 -43.4 10.6 107.2 59.5 109 109 A L H X S+ 0 0 3 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.901 112.2 53.4 -71.7 -44.2 12.0 105.4 62.7 110 110 A M H X S+ 0 0 29 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.955 113.8 44.6 -55.5 -43.3 14.6 108.2 63.4 111 111 A E H X S+ 0 0 100 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.933 114.3 48.2 -64.3 -51.2 11.7 110.8 63.2 112 112 A A H X S+ 0 0 27 -4,-2.5 4,-1.7 -5,-0.2 -2,-0.2 0.905 112.4 47.8 -49.6 -46.0 9.3 108.6 65.4 113 113 A R H X>S+ 0 0 4 -4,-2.3 4,-1.1 1,-0.2 5,-1.1 0.947 109.8 53.6 -68.4 -44.7 11.9 107.9 68.1 114 114 A E H ><5S+ 0 0 155 -4,-1.9 3,-0.9 -5,-0.3 -2,-0.2 0.942 106.9 52.7 -52.8 -47.8 12.9 111.6 68.2 115 115 A A H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.900 108.9 47.5 -61.0 -39.1 9.1 112.5 68.8 116 116 A C H 3<5S- 0 0 49 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.712 107.2-125.0 -77.8 -15.3 8.6 110.2 71.8 117 117 A G T <<5 + 0 0 60 -4,-1.1 -3,-0.2 -3,-0.9 -2,-0.1 0.650 49.4 160.0 80.5 17.0 11.8 111.3 73.5 118 118 A A < - 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0 0 18 -2,-0.4 -21,-0.2 -21,-0.2 -22,-0.1 -0.908 35.3-106.4-116.2 149.7 22.8 86.9 53.3 292 292 A P > - 0 0 0 0, 0.0 3,-1.1 0, 0.0 5,-0.4 -0.572 36.2-120.5 -66.9 140.1 23.8 87.9 49.6 293 293 A P G > S+ 0 0 59 0, 0.0 3,-2.2 0, 0.0 5,-0.0 0.587 89.4 100.2 -68.2 -4.6 21.1 90.5 48.5 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.0 0.771 87.1 40.8 -48.2 -37.9 19.9 88.3 45.5 295 295 A G G < S- 0 0 0 -3,-1.1 -1,-0.3 44,-0.1 48,-0.1 0.418 104.7-124.1 -96.1 6.8 16.9 87.0 47.4 296 296 A A S < S+ 0 0 24 -3,-2.2 4,-0.2 -4,-0.1 -2,-0.1 0.848 70.9 129.6 56.8 33.1 15.9 90.4 49.1 297 297 A K > + 0 0 5 -5,-0.4 4,-2.0 2,-0.1 3,-0.3 0.623 32.1 90.4 -96.6 -10.7 16.1 88.5 52.6 298 298 A G H > S+ 0 0 23 1,-0.3 4,-2.0 2,-0.2 3,-0.3 0.950 97.2 37.8 -55.0 -52.9 18.3 90.7 54.9 299 299 A L H > S+ 0 0 26 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.777 109.0 65.8 -70.4 -21.9 15.5 92.8 56.3 300 300 A D H > S+ 0 0 7 -3,-0.3 4,-1.4 -4,-0.2 -1,-0.2 0.920 107.7 40.4 -63.2 -43.5 13.2 89.7 56.3 301 301 A L H X S+ 0 0 1 -4,-2.0 4,-2.5 -3,-0.3 -16,-0.3 0.895 111.7 55.5 -74.6 -37.9 15.5 88.1 59.0 302 302 A A H X S+ 0 0 4 -4,-2.0 4,-2.9 -5,-0.3 5,-0.3 0.979 108.0 50.8 -53.9 -49.6 16.0 91.4 61.0 303 303 A A H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.2 0.900 112.9 43.1 -59.8 -42.1 12.2 91.7 61.3 304 304 A S H X S+ 0 0 6 -4,-1.4 4,-3.3 2,-0.2 5,-0.3 0.972 114.4 50.0 -74.2 -39.9 11.7 88.1 62.6 305 305 A D H X S+ 0 0 1 -4,-2.5 4,-3.2 1,-0.2 -2,-0.2 0.969 117.1 42.5 -52.1 -50.1 14.7 88.3 65.0 306 306 A V H X S+ 0 0 1 -4,-2.9 4,-2.7 -5,-0.3 5,-0.2 0.874 113.4 50.5 -68.0 -40.5 13.4 91.6 66.3 307 307 A S H X S+ 0 0 8 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.950 115.2 45.1 -60.0 -42.2 9.8 90.5 66.4 308 308 A T H X S+ 0 0 18 -4,-3.3 4,-2.2 -5,-0.2 -2,-0.2 0.916 114.0 48.2 -71.9 -40.9 11.0 87.4 68.4 309 309 A L H X S+ 0 0 1 -4,-3.2 4,-2.0 -5,-0.3 -2,-0.2 0.943 114.6 45.0 -65.3 -48.4 13.2 89.4 70.7 310 310 A Y H >X S+ 0 0 23 -4,-2.7 4,-2.3 2,-0.2 3,-0.9 0.996 112.8 51.1 -53.5 -67.3 10.5 92.0 71.5 311 311 A R H 3X S+ 0 0 98 -4,-2.3 4,-1.6 1,-0.3 -2,-0.2 0.829 113.9 45.1 -43.1 -39.5 7.8 89.3 72.0 312 312 A L H 3X S+ 0 0 3 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.3 0.837 112.9 49.8 -80.4 -27.8 10.1 87.4 74.4 313 313 A L H X>S+ 0 0 16 -4,-2.3 4,-2.1 2,-0.2 3,-1.2 0.991 110.0 48.6 -63.2 -59.9 7.6 91.7 76.8 315 315 A K H 3X5S+ 0 0 57 -4,-1.6 6,-1.2 1,-0.3 4,-0.5 0.778 112.5 51.4 -43.9 -39.6 6.9 88.2 78.2 316 316 A A H 3<5S+ 0 0 16 -4,-1.6 -1,-0.3 4,-0.2 6,-0.3 0.867 123.1 25.9 -70.6 -39.8 9.9 88.7 80.5 317 317 A Y H <<5S+ 0 0 60 -4,-2.0 3,-0.2 -3,-1.2 -2,-0.2 0.897 130.1 36.6 -89.5 -56.1 8.9 92.2 81.8 318 318 A R H <5S+ 0 0 176 -4,-2.1 -3,-0.2 -5,-0.3 -2,-0.1 0.880 132.5 27.6 -61.5 -37.3 5.0 92.2 81.6 319 319 A E S < + 0 0 112 -6,-1.2 3,-0.7 1,-0.2 -1,-0.2 -0.395 21.9 148.3 -74.1 66.2 8.1 84.6 82.3 322 322 A G G > + 0 0 27 -2,-2.0 3,-0.6 -6,-0.3 -1,-0.2 0.520 49.9 81.1 -83.7 -9.2 11.8 85.4 81.7 323 323 A E G > S+ 0 0 133 1,-0.2 3,-1.4 -3,-0.2 4,-0.2 0.843 78.5 71.2 -63.1 -32.2 13.0 81.8 81.3 324 324 A L G X S+ 0 0 38 -3,-0.7 3,-2.4 1,-0.3 4,-0.3 0.751 74.5 81.0 -64.7 -25.7 11.7 81.8 77.7 325 325 A L G < S+ 0 0 8 -3,-0.6 3,-0.3 1,-0.3 -1,-0.3 0.586 81.9 65.2 -61.6 -7.5 14.6 84.1 76.4 326 326 A E G < S+ 0 0 145 -3,-1.4 4,-0.4 1,-0.2 3,-0.3 0.644 91.1 65.1 -81.9 -17.4 16.9 81.0 76.2 327 327 A R S <> S+ 0 0 116 -3,-2.4 4,-1.9 -4,-0.2 5,-0.3 0.572 79.4 97.6 -72.7 -8.5 14.5 79.7 73.4 328 328 A Y H > S+ 0 0 0 -3,-0.3 4,-2.6 -4,-0.3 5,-0.2 0.913 81.2 40.1 -48.8 -59.8 15.7 82.8 71.3 329 329 A S H > S+ 0 0 11 -3,-0.3 4,-3.3 -4,-0.2 5,-0.3 0.928 113.6 51.9 -58.9 -48.3 18.4 81.3 69.1 330 330 A A H > S+ 0 0 41 -4,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.896 113.6 46.5 -60.2 -36.0 16.5 78.0 68.4 331 331 A I H X S+ 0 0 7 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.956 117.9 42.3 -69.2 -49.0 13.5 80.0 67.3 332 332 A C H >X S+ 0 0 4 -4,-2.6 4,-2.3 -5,-0.3 3,-0.6 0.965 108.0 56.7 -63.6 -48.0 15.5 82.4 65.2 333 333 A L H 3X S+ 0 0 19 -4,-3.3 4,-2.6 1,-0.2 5,-0.3 0.825 96.7 63.0 -63.1 -30.1 17.9 79.9 63.5 334 334 A R H 3X S+ 0 0 98 -4,-1.1 4,-1.5 -5,-0.3 -1,-0.2 0.975 112.4 39.4 -55.3 -44.6 15.1 77.8 61.9 335 335 A R H - 0 0 53 -2,-0.5 3,-0.8 -5,-0.1 2,-0.2 -0.780 15.2-108.9-103.1 138.1 31.0 81.9 38.2 354 354 A P T 3 S+ 0 0 77 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.437 97.0 1.1 -59.2 130.4 34.8 81.6 37.6 355 355 A D T 3 S+ 0 0 172 1,-0.2 2,-0.4 -2,-0.2 0, 0.0 0.921 80.5 167.0 46.1 50.5 36.1 78.4 36.1 356 356 A T < - 0 0 41 -3,-0.8 -1,-0.2 2,-0.0 2,-0.2 -0.778 30.4-134.1 -76.8 130.0 32.7 76.9 35.8 357 357 A D >> - 0 0 100 -2,-0.4 4,-1.4 -3,-0.1 3,-0.9 -0.589 26.9 -93.9 -93.5 166.2 33.1 73.8 33.6 358 358 A A H 3> S+ 0 0 77 1,-0.2 4,-1.7 2,-0.2 5,-0.2 0.839 121.7 53.7 -41.5 -47.1 30.8 72.9 30.6 359 359 A F H 3> S+ 0 0 145 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 107.1 48.6 -58.1 -46.2 28.5 70.6 32.8 360 360 A S H <> S+ 0 0 53 -3,-0.9 4,-3.1 2,-0.2 -1,-0.2 0.895 107.6 53.4 -72.9 -35.5 27.7 73.2 35.5 361 361 A Q H X S+ 0 0 84 -4,-1.4 4,-2.6 2,-0.2 5,-0.2 0.951 112.0 48.0 -53.8 -46.8 26.8 76.0 33.1 362 362 A R H X S+ 0 0 167 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.950 112.8 46.9 -63.4 -43.9 24.3 73.6 31.5 363 363 A I H X S+ 0 0 77 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.940 109.2 54.9 -61.8 -45.3 23.0 72.5 34.9 364 364 A Q H X S+ 0 0 40 -4,-3.1 4,-1.7 1,-0.2 -2,-0.2 0.935 112.1 43.1 -56.3 -44.4 22.6 76.2 36.0 365 365 A Q H X S+ 0 0 69 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.926 111.3 53.5 -65.7 -39.8 20.5 77.0 32.9 366 366 A T H X S+ 0 0 60 -4,-2.4 4,-2.8 -5,-0.2 5,-0.2 0.925 104.0 58.2 -65.1 -36.7 18.5 73.8 33.3 367 367 A E H X S+ 0 0 55 -4,-3.0 4,-2.4 2,-0.2 5,-0.3 0.961 110.3 42.8 -49.7 -51.7 17.8 74.9 36.9 368 368 A L H X S+ 0 0 7 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.947 112.2 52.6 -66.0 -40.6 16.2 78.1 35.6 369 369 A E H < S+ 0 0 83 -4,-3.1 4,-0.5 1,-0.2 -1,-0.2 0.867 115.9 41.6 -67.9 -37.8 14.3 76.3 32.7 370 370 A Y H >X S+ 0 0 121 -4,-2.8 3,-1.3 -5,-0.2 4,-1.0 0.978 114.2 46.0 -65.3 -62.9 12.8 73.9 35.3 371 371 A Y H 3< S+ 0 0 56 -4,-2.4 3,-0.2 1,-0.3 10,-0.2 0.847 118.5 45.0 -57.7 -33.7 11.9 76.2 38.2 372 372 A L T 3< S+ 0 0 10 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.596 115.7 44.2 -82.4 -14.2 10.3 78.8 35.8 373 373 A G T <4 S+ 0 0 51 -3,-1.3 2,-0.5 -4,-0.5 -2,-0.2 0.369 101.4 75.1-113.7 4.1 8.3 76.3 33.6 374 374 A S S X S- 0 0 27 -4,-1.0 4,-3.0 -3,-0.2 5,-0.3 -0.959 72.8-139.6-118.0 125.9 6.8 74.1 36.3 375 375 A E H > S+ 0 0 119 -2,-0.5 4,-1.8 1,-0.2 -1,-0.1 0.883 107.9 40.7 -47.6 -44.0 3.9 75.2 38.6 376 376 A A H > S+ 0 0 64 2,-0.2 4,-1.8 3,-0.1 -1,-0.2 0.936 113.2 54.0 -72.6 -47.4 5.5 73.7 41.6 377 377 A G H >> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 3,-0.6 0.971 110.5 47.7 -51.8 -55.3 9.0 74.9 40.7 378 378 A L H 3X S+ 0 0 16 -4,-3.0 4,-2.7 -8,-0.2 3,-0.2 0.919 108.0 55.9 -51.2 -46.1 7.7 78.5 40.4 379 379 A A H 3X S+ 0 0 28 -4,-1.8 4,-2.1 -5,-0.3 5,-0.3 0.823 100.3 58.8 -62.5 -26.7 5.9 78.2 43.8 380 380 A T H