==== 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 26-MAY-98 1BF3 . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.H.M.EPPINK,H.A.SCHREUDER,W.J.H.VAN BERKEL . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17118.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 290 74.2 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 . 71 18.2 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 . 26 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 30.7 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 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 0 108 0, 0.0 150,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 161.1 22.6 105.5 83.9 2 2 A K B +a 151 0A 113 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.979 360.0 164.1-143.2 151.0 20.3 102.4 83.9 3 3 A T - 0 0 11 148,-2.2 3,-0.2 -2,-0.3 25,-0.1 -0.883 40.7-116.6-152.4 178.9 17.7 101.0 81.5 4 4 A Q S S+ 0 0 52 23,-0.6 149,-2.7 1,-0.3 150,-1.7 0.903 98.7 21.7 -89.5 -60.2 15.9 97.8 81.0 5 5 A V E -de 28 154B 1 22,-2.3 24,-1.7 148,-0.2 2,-0.5 -0.934 69.0-155.5-114.8 121.5 17.2 96.8 77.5 6 6 A A E -de 29 155B 0 148,-2.8 150,-3.0 -2,-0.5 2,-0.5 -0.829 11.2-160.1 -93.9 129.8 20.4 98.2 76.0 7 7 A I E -de 30 156B 0 22,-3.3 24,-3.0 -2,-0.5 2,-0.6 -0.948 5.2-155.4-116.0 120.1 20.5 98.2 72.2 8 8 A I E +de 31 157B 7 148,-2.5 150,-2.0 -2,-0.5 24,-0.2 -0.859 66.0 30.1 -96.3 116.1 23.9 98.4 70.3 9 9 A G - 0 0 7 22,-3.3 23,-0.2 -2,-0.6 150,-0.1 0.372 58.6-141.6 106.7 122.6 23.4 99.8 66.8 10 10 A A + 0 0 0 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.236 63.4 115.9-104.9 39.8 20.9 102.3 65.3 11 11 A G S > S- 0 0 21 147,-0.5 4,-2.3 29,-0.0 5,-0.3 -0.294 92.4 -73.4 -88.5-170.0 20.4 100.6 62.0 12 12 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.863 131.6 53.6 -56.1 -40.2 17.0 99.2 61.1 13 13 A S H > S+ 0 0 15 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.979 112.9 41.3 -58.4 -60.1 17.2 96.2 63.5 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.883 117.7 47.3 -56.2 -43.7 18.1 98.3 66.6 15 15 A L H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.908 113.0 48.1 -66.7 -42.6 15.5 101.0 65.8 16 16 A L H X S+ 0 0 3 -4,-2.6 4,-2.3 -5,-0.3 5,-0.2 0.946 114.8 45.1 -64.3 -46.9 12.7 98.5 65.1 17 17 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.926 113.3 51.9 -60.0 -46.1 13.4 96.6 68.3 18 18 A G H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.850 110.5 47.7 -59.5 -37.3 13.6 99.8 70.2 19 19 A Q H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.887 112.2 47.9 -72.2 -42.9 10.3 101.1 68.8 20 20 A L H X S+ 0 0 2 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.927 114.9 46.2 -63.2 -46.1 8.4 97.9 69.5 21 21 A L H <>S+ 0 0 0 -4,-2.5 5,-2.7 -5,-0.2 3,-0.2 0.919 111.5 51.3 -63.3 -44.9 9.8 97.7 73.1 22 22 A H H ><5S+ 0 0 59 -4,-2.0 3,-1.6 1,-0.2 -1,-0.2 0.922 109.1 50.9 -59.0 -45.2 9.1 101.4 73.8 23 23 A K H 3<5S+ 0 0 119 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.806 108.6 52.5 -62.1 -31.4 5.5 101.0 72.6 24 24 A A T 3<5S- 0 0 38 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.345 123.0-105.4 -85.4 3.7 5.1 98.0 74.9 25 25 A G T < 5S+ 0 0 56 -3,-1.6 2,-0.7 1,-0.2 -3,-0.2 0.578 78.2 132.4 85.4 9.6 6.4 100.0 77.9 26 26 A I < - 0 0 7 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.2 -0.844 54.1-131.5-100.3 113.9 9.8 98.4 78.1 27 27 A D + 0 0 95 -2,-0.7 -22,-2.3 -3,-0.1 -23,-0.6 -0.404 32.1 172.4 -67.3 140.4 12.6 101.1 78.4 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.974 22.6-149.9-147.7 150.1 15.5 100.8 76.1 29 29 A V E -df 6 119B 5 -24,-1.7 -22,-3.3 -2,-0.3 2,-0.5 -0.984 13.5-148.6-122.3 134.7 18.6 102.9 75.2 30 30 A I E -df 7 120B 0 89,-2.1 91,-3.3 -2,-0.4 2,-0.5 -0.922 6.6-162.1-107.2 131.6 20.2 102.7 71.8 31 31 A L E -df 8 121B 3 -24,-3.0 -22,-3.3 -2,-0.5 2,-0.5 -0.958 9.9-174.4-112.3 120.1 23.9 103.3 71.4 32 32 A E - 0 0 15 89,-3.0 92,-2.6 -2,-0.5 91,-0.2 -0.970 21.2-154.3-122.0 129.1 25.2 104.1 67.9 33 33 A R S S+ 0 0 142 -2,-0.5 -1,-0.1 90,-0.3 89,-0.1 0.841 78.7 47.0 -65.3 -36.7 28.8 104.5 66.9 34 34 A Q S S- 0 0 42 1,-0.1 89,-2.5 89,-0.1 90,-0.2 -0.105 92.2 -89.5 -96.3-168.6 28.2 106.8 64.0 35 35 A T > - 0 0 38 87,-0.2 4,-1.9 88,-0.1 3,-0.3 -0.637 38.8-107.6 -99.2 162.2 26.1 110.0 63.4 36 36 A P H > S+ 0 0 43 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.871 120.6 54.8 -56.4 -36.6 22.5 110.0 62.2 37 37 A D H 4 S+ 0 0 128 2,-0.2 4,-0.5 1,-0.2 -3,-0.0 0.867 103.5 52.5 -65.5 -42.9 23.7 111.2 58.8 38 38 A Y H >4 S+ 0 0 122 -3,-0.3 3,-1.4 2,-0.2 4,-0.4 0.947 111.2 47.4 -59.5 -49.2 26.2 108.4 58.3 39 39 A V H >< S+ 0 0 12 -4,-1.9 3,-1.4 1,-0.3 -2,-0.2 0.920 109.9 53.5 -59.4 -42.5 23.5 105.8 58.9 40 40 A L T 3< S+ 0 0 55 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.556 94.8 71.4 -72.6 -5.5 21.1 107.6 56.5 41 41 A G T < S+ 0 0 52 -3,-1.4 2,-0.4 -4,-0.5 -1,-0.3 0.656 74.6 99.3 -84.5 -14.7 23.7 107.5 53.8 42 42 A K < - 0 0 67 -3,-1.4 -3,-0.0 -4,-0.4 -4,-0.0 -0.598 48.8-173.3 -80.3 125.5 23.4 103.7 53.2 43 43 A I + 0 0 26 -2,-0.4 60,-0.6 59,-0.1 59,-0.5 0.960 36.7 132.0 -77.2 -61.5 21.2 102.7 50.3 44 44 A R + 0 0 125 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.075 49.8 36.8 47.7-135.0 21.1 98.9 50.8 45 45 A A + 0 0 26 1,-0.1 57,-2.6 56,-0.1 58,-0.3 0.020 38.4 166.8 -51.9 151.4 17.7 97.1 50.7 46 46 A G + 0 0 8 55,-0.2 54,-2.0 1,-0.2 2,-0.5 0.530 59.3 75.4-135.5 -22.6 14.7 97.7 48.5 47 47 A V E -I 99 0C 14 52,-0.2 2,-0.4 50,-0.0 253,-0.2 -0.863 54.9-173.2-109.0 124.5 12.6 94.7 49.0 48 48 A L E -I 98 0C 0 50,-3.3 50,-3.1 -2,-0.5 2,-0.1 -0.917 17.9-133.2-115.7 135.5 10.4 94.0 52.1 49 49 A E E >> -I 97 0C 3 -2,-0.4 4,-2.0 48,-0.2 3,-0.7 -0.412 29.9-108.8 -78.5 162.3 8.4 90.9 52.9 50 50 A Q H 3> S+ 0 0 58 336,-0.7 4,-2.5 46,-0.5 5,-0.2 0.837 117.8 60.6 -60.9 -35.8 4.9 91.0 54.2 51 51 A G H 3> S+ 0 0 22 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.867 106.9 44.8 -61.5 -38.8 6.0 90.0 57.7 52 52 A M H <> S+ 0 0 2 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.872 110.3 55.2 -72.0 -37.7 8.2 93.1 57.9 53 53 A V H X S+ 0 0 14 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.910 110.8 45.5 -60.3 -43.3 5.4 95.3 56.5 54 54 A D H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.855 110.1 53.8 -70.2 -33.8 3.1 94.0 59.3 55 55 A L H X S+ 0 0 3 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.865 107.0 51.7 -69.7 -33.2 5.8 94.5 61.9 56 56 A L H <>S+ 0 0 4 -4,-2.1 5,-2.9 2,-0.2 -1,-0.2 0.867 109.9 50.0 -69.7 -34.7 6.2 98.1 60.8 57 57 A R H ><5S+ 0 0 131 -4,-1.4 3,-1.4 3,-0.2 -2,-0.2 0.923 109.8 50.5 -68.4 -42.4 2.5 98.6 61.2 58 58 A E H 3<5S+ 0 0 82 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.873 108.0 51.7 -64.0 -37.6 2.5 97.1 64.6 59 59 A A T 3<5S- 0 0 2 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.451 118.0-118.5 -77.1 -1.2 5.4 99.4 65.7 60 60 A G T < 5S+ 0 0 51 -3,-1.4 -3,-0.2 -5,-0.1 3,-0.2 0.768 83.6 111.9 70.0 33.4 3.2 102.2 64.4 61 61 A V < + 0 0 15 -5,-2.9 -4,-0.2 -6,-0.1 4,-0.1 -0.369 39.5 97.8-133.3 56.7 5.6 103.4 61.8 62 62 A D > + 0 0 43 -5,-0.2 4,-3.1 2,-0.1 5,-0.2 0.385 46.7 100.0-124.8 5.4 3.9 102.5 58.5 63 63 A R H > S+ 0 0 155 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.968 91.8 36.5 -57.2 -62.4 2.2 105.8 57.3 64 64 A R H > S+ 0 0 50 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.847 118.4 53.6 -62.5 -32.3 4.7 106.9 54.8 65 65 A M H > S+ 0 0 9 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.934 106.5 49.6 -70.2 -43.4 5.3 103.3 53.8 66 66 A A H < S+ 0 0 77 -4,-3.1 -1,-0.2 1,-0.2 -2,-0.2 0.846 118.6 42.7 -62.7 -30.7 1.7 102.6 53.1 67 67 A R H < S+ 0 0 147 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.913 127.9 23.9 -81.2 -48.7 1.7 105.8 51.0 68 68 A D H < S+ 0 0 70 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.586 95.5 104.9 -97.0 -14.6 5.0 105.5 49.1 69 69 A G < - 0 0 17 -4,-2.7 2,-0.5 -5,-0.4 31,-0.2 -0.361 63.2-137.1 -68.2 151.5 5.6 101.8 49.1 70 70 A L E -J 99 0C 53 29,-2.5 29,-3.0 144,-0.1 2,-0.5 -0.943 10.4-144.1-112.8 120.3 5.1 99.9 45.9 71 71 A V E -J 98 0C 93 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.735 16.5-160.1 -86.0 125.1 3.3 96.5 46.3 72 72 A H E -J 97 0C 9 25,-3.0 25,-1.9 -2,-0.5 126,-0.1 -0.935 18.3-176.7-111.1 132.9 4.7 94.0 43.8 73 73 A E S S+ 0 0 90 -2,-0.4 16,-1.9 23,-0.2 15,-0.8 0.424 70.6 16.3-103.0 -6.0 2.8 90.8 42.8 74 74 A G E -K 87 0D 0 13,-0.3 125,-0.5 14,-0.2 2,-0.3 -0.975 56.0-154.9-159.6 166.9 5.4 89.3 40.5 75 75 A V E -K 86 0D 5 11,-1.6 11,-3.2 -2,-0.3 2,-0.4 -0.920 19.9-130.8-140.2 164.3 9.1 89.4 39.5 76 76 A E E -Kl 85 200D 20 123,-2.2 125,-2.8 -2,-0.3 2,-0.4 -0.951 8.6-160.7-128.0 145.9 10.8 88.3 36.3 77 77 A I E -Kl 84 201D 8 7,-2.9 7,-3.2 -2,-0.4 2,-0.5 -0.993 10.1-163.6-123.1 124.0 13.8 86.1 35.6 78 78 A A E +Kl 83 202D 3 123,-2.8 125,-3.0 -2,-0.4 2,-0.3 -0.928 23.7 146.1-111.1 130.9 15.5 86.5 32.2 79 79 A F E > +K 82 0D 5 3,-1.6 3,-2.2 -2,-0.5 125,-0.1 -0.959 60.3 5.9-158.0 152.7 17.9 83.8 30.9 80 80 A A T 3 S- 0 0 62 123,-0.4 3,-0.1 -2,-0.3 124,-0.1 0.747 131.3 -49.8 38.7 45.8 18.8 82.3 27.5 81 81 A G T 3 S+ 0 0 88 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.787 118.0 106.8 69.8 26.3 16.8 84.7 25.5 82 82 A Q E < -K 79 0D 61 -3,-2.2 -3,-1.6 2,-0.0 2,-0.4 -0.926 53.7-155.3-131.9 158.4 13.6 84.2 27.6 83 83 A R E -K 78 0D 91 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.950 17.0-172.0-136.9 106.8 11.9 86.4 30.2 84 84 A R E -K 77 0D 80 -7,-3.2 -7,-2.9 -2,-0.4 2,-0.4 -0.895 10.7-148.1-104.6 134.8 9.7 84.4 32.7 85 85 A R E -K 76 0D 108 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.828 2.4-151.0-102.3 137.0 7.4 86.0 35.1 86 86 A I E -K 75 0D 1 -11,-3.2 -11,-1.6 -2,-0.4 2,-1.4 -0.953 11.4-144.7-107.1 116.9 6.7 84.5 38.5 87 87 A D E > -K 74 0D 40 -2,-0.6 4,-2.7 -13,-0.2 -13,-0.3 -0.747 21.0-178.8 -82.3 93.9 3.3 85.4 39.8 88 88 A L H > S+ 0 0 0 -2,-1.4 4,-2.2 -15,-0.8 7,-0.3 0.916 77.1 53.8 -59.0 -49.4 4.2 85.7 43.5 89 89 A K H >>S+ 0 0 88 -16,-1.9 5,-3.6 1,-0.2 4,-0.5 0.923 116.4 36.6 -53.4 -51.7 0.6 86.6 44.5 90 90 A R H 45S+ 0 0 131 -17,-0.3 3,-0.5 3,-0.2 -2,-0.2 0.915 120.9 44.4 -72.4 -44.5 -1.0 83.6 42.7 91 91 A L H <5S+ 0 0 23 -4,-2.7 292,-0.2 1,-0.2 -2,-0.2 0.694 114.3 47.6 -77.2 -17.0 1.7 81.0 43.4 92 92 A S H <5S- 0 0 21 -4,-2.2 -1,-0.2 3,-0.3 -2,-0.2 0.478 121.3 -96.6-102.4 -2.1 2.3 81.9 47.1 93 93 A G T <5S- 0 0 70 -4,-0.5 -3,-0.2 -3,-0.5 -4,-0.1 0.823 84.7 -41.9 91.4 33.7 -1.3 81.9 48.1 94 94 A G S > - 0 0 1 113,-0.3 4,-2.0 -2,-0.3 3,-0.5 -0.199 14.2-129.6 -54.3 143.9 14.0 101.7 50.4 102 102 A Q H 3> S+ 0 0 17 -57,-2.6 4,-2.5 -59,-0.5 5,-0.2 0.827 110.6 60.6 -62.1 -32.7 15.9 100.8 53.6 103 103 A T H 3> S+ 0 0 26 -60,-0.6 4,-2.3 -58,-0.3 -1,-0.3 0.907 106.1 46.6 -60.9 -41.0 16.9 104.4 53.8 104 104 A E H <> S+ 0 0 47 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.910 111.0 50.8 -67.5 -46.2 13.2 105.4 54.1 105 105 A V H X S+ 0 0 3 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.906 112.9 46.9 -57.3 -45.1 12.5 102.7 56.7 106 106 A T H X S+ 0 0 5 -4,-2.5 4,-2.9 2,-0.2 -2,-0.2 0.934 112.0 49.5 -64.7 -45.7 15.4 103.9 58.8 107 107 A R H X S+ 0 0 61 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.892 110.8 50.5 -60.8 -42.8 14.4 107.6 58.4 108 108 A D H X S+ 0 0 12 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.910 113.1 45.5 -61.5 -45.2 10.8 106.8 59.5 109 109 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.917 110.5 53.2 -65.5 -44.0 12.0 104.8 62.5 110 110 A M H X S+ 0 0 28 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.891 111.5 46.6 -58.4 -41.3 14.5 107.5 63.5 111 111 A E H X S+ 0 0 92 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.878 110.9 51.6 -69.4 -37.6 11.7 110.1 63.4 112 112 A A H X S+ 0 0 26 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.918 112.5 46.2 -65.4 -39.9 9.3 108.0 65.4 113 113 A R H X>S+ 0 0 3 -4,-2.7 4,-1.0 2,-0.2 5,-0.9 0.922 109.9 53.7 -67.9 -44.5 12.0 107.4 68.1 114 114 A E H ><5S+ 0 0 160 -4,-2.3 3,-0.8 1,-0.2 -2,-0.2 0.930 110.6 46.9 -54.0 -49.1 12.9 111.1 68.2 115 115 A A H 3<5S+ 0 0 87 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.872 107.5 56.1 -62.7 -42.3 9.2 112.0 68.8 116 116 A S H 3<5S- 0 0 43 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.636 104.0-127.3 -65.5 -20.7 8.7 109.4 71.5 117 117 A G T <<5 + 0 0 61 -4,-1.0 -3,-0.1 -3,-0.8 -2,-0.1 0.528 52.9 153.1 85.8 3.2 11.5 110.7 73.6 118 118 A A < - 0 0 19 -5,-0.9 2,-0.3 1,-0.1 -1,-0.2 -0.328 52.4 -93.9 -66.3 151.1 13.3 107.4 74.0 119 119 A T E +f 29 0B 66 -91,-0.6 -89,-2.1 2,-0.0 2,-0.4 -0.508 46.8 167.6 -73.2 126.2 17.1 107.5 74.6 120 120 A T E -f 30 0B 40 -2,-0.3 2,-0.6 -91,-0.2 -89,-0.2 -0.991 16.0-162.5-137.1 123.9 19.5 107.3 71.6 121 121 A V E -f 31 0B 15 -91,-3.3 -89,-3.0 -2,-0.4 3,-0.5 -0.920 9.9-165.1-112.5 104.8 23.2 108.1 72.0 122 122 A Y S S+ 0 0 43 -2,-0.6 -87,-0.2 1,-0.2 -89,-0.2 -0.427 72.2 28.3 -80.6 161.9 24.9 108.7 68.6 123 123 A Q S S+ 0 0 126 -89,-2.5 2,-1.0 -91,-0.2 -90,-0.3 0.864 74.9 167.7 52.0 39.5 28.7 108.8 68.3 124 124 A A - 0 0 2 -92,-2.6 3,-0.4 -3,-0.5 -1,-0.2 -0.780 22.1-159.9 -83.9 104.7 28.9 106.3 71.3 125 125 A A E +B 142 0A 35 17,-2.4 17,-2.7 -2,-1.0 -91,-0.0 -0.497 55.8 12.1 -90.9 160.7 32.6 105.4 70.9 126 126 A E E S- 0 0 104 15,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.803 75.7-167.5 44.0 47.8 34.5 102.4 72.3 127 127 A V E - 0 0 17 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.395 8.2-179.5 -64.7 132.3 31.4 100.4 73.3 128 128 A R E 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-2,-0.2 0.912 105.5 49.9 -60.1 -48.4 17.5 81.7 59.1 337 337 A W H X S+ 0 0 95 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.886 111.0 50.3 -61.7 -36.7 18.8 78.4 57.6 338 338 A K H X S+ 0 0 125 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.897 112.8 45.0 -68.9 -38.0 15.8 78.3 55.2 339 339 A A H X S+ 0 0 10 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.804 112.4 53.0 -73.2 -32.7 16.3 81.8 54.0 340 340 A E H X S+ 0 0 9 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.852 108.7 49.7 -66.3 -40.3 20.1 81.1 53.7 341 341 A R H X S+ 0 0 111 -4,-1.9 4,-2.2 -5,-0.2 -2,-0.2 0.909 113.1 46.7 -65.1 -43.0 19.4 78.1 51.6 342 342 A F H X S+ 0 0 2 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.905 112.6 48.2 -65.2 -43.5 17.1 80.1 49.3 343 343 A S H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.842 112.1 51.7 -65.0 -34.1 19.5 83.0 48.9 344 344 A W H X S+ 0 0 122 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.928 111.1 46.3 -66.7 -46.1 22.2 80.4 48.1 345 345 A W H X S+ 0 0 18 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.947 113.0 49.0 -61.8 -51.8 20.1 78.8 45.4 346 346 A M H X S+ 0 0 5 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.902 112.7 49.1 -54.7 -44.6 19.1 82.1 43.9 347 347 A T H X S+ 0 0 0 -4,-2.0 4,-1.4 -5,-0.2 -1,-0.2 0.929 111.2 49.3 -64.1 -43.1 22.7 83.1 43.9 348 348 A S H < S+ 0 0 35 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.792 113.8 43.7 -70.9 -27.7 23.9 79.9 42.3 349 349 A V H < S+ 0 0 3 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.717 118.2 41.9 -90.5 -18.3 21.4 79.8 39.4 350 350 A L H < S+ 0 0 1 -4,-1.4 -146,-0.3 -5,-0.2 2,-0.2 0.615 101.1 74.6-102.3 -14.1 21.6 83.5 38.4 351 351 A H S < S- 0 0 0 -4,-1.4 2,-0.6 -5,-0.2 -148,-0.1 -0.677 74.3-122.6-104.2 158.7 25.4 84.3 38.6 352 352 A R - 0 0 107 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.845 30.2-156.1 -96.1 118.3 28.3 83.4 36.4 353 353 A F - 0 0 46 -2,-0.6 3,-0.4 -5,-0.1 2,-0.1 -0.765 20.7-110.8 -96.7 140.8 30.9 81.5 38.4 354 354 A P S S+ 0 0 76 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.419 96.7 15.4 -69.7 147.1 34.6 81.5 37.4 355 355 A D S S+ 0 0 167 1,-0.2 2,-0.5 -2,-0.1 0, 0.0 0.945 79.8 163.8 55.3 60.3 35.9 78.1 36.1 356 356 A T - 0 0 41 -3,-0.4 -1,-0.2 3,-0.0 2,-0.0 -0.903 30.3-134.5-106.4 127.8 32.6 76.4 35.5 357 357 A D > - 0 0 91 -2,-0.5 4,-1.9 1,-0.1 5,-0.2 -0.276 27.9-100.3 -76.1 171.9 32.7 73.2 33.4 358 358 A A H > S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.849 121.4 54.8 -60.2 -37.4 30.3 72.5 30.5 359 359 A F H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.966 108.1 47.8 -62.9 -50.6 28.3 70.1 32.7 360 360 A S H > S+ 0 0 57 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.843 110.3 52.3 -58.1 -39.8 27.7 72.7 35.5 361 361 A Q H X S+ 0 0 103 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.914 110.1 48.1 -64.6 -43.4 26.6 75.4 33.0 362 362 A R H X S+ 0 0 169 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.887 112.0 49.3 -63.9 -41.0 24.1 73.0 31.4 363 363 A I H X S+ 0 0 78 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 109.8 52.3 -65.1 -39.7 22.7 72.1 34.9 364 364 A Q H X S+ 0 0 42 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.926 112.5 44.5 -61.0 -45.2 22.5 75.8 35.8 365 365 A Q H X S+ 0 0 67 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.901 112.8 51.5 -65.9 -40.2 20.5 76.5 32.7 366 366 A T H X S+ 0 0 68 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.825 103.7 58.7 -66.3 -33.5 18.3 73.4 33.2 367 367 A E H X S+ 0 0 58 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.928 108.7 45.7 -59.6 -47.2 17.6 74.5 36.9 368 368 A L H X S+ 0 0 4 -4,-1.6 4,-2.8 1,-0.2 5,-0.3 0.968 114.3 47.5 -61.8 -50.2 16.1 77.7 35.5 369 369 A E H X S+ 0 0 74 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.886 116.1 43.8 -59.3 -43.6 14.1 75.9 32.8 370 370 A Y H >X S+ 0 0 121 -4,-3.0 4,-1.3 2,-0.2 3,-0.8 0.985 117.9 42.2 -66.5 -55.4 12.8 73.3 35.2 371 371 A Y H 3< S+ 0 0 61 -4,-2.7 -2,-0.2 1,-0.2 10,-0.2 0.833 118.1 45.6 -62.9 -32.7 11.9 75.7 38.0 372 372 A L H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.604 117.1 45.2 -86.7 -8.8 10.4 78.3 35.7 373 373 A G H << S+ 0 0 50 -3,-0.8 2,-0.4 -4,-0.8 -2,-0.2 0.521 98.4 77.1-110.0 -8.9 8.4 75.8 33.7 374 374 A S X - 0 0 27 -4,-1.3 4,-3.0 1,-0.1 5,-0.2 -0.884 69.7-142.2-104.3 136.8 6.9 73.7 36.4 375 375 A E H > S+ 0 0 109 -2,-0.4 4,-1.5 1,-0.2 -1,-0.1 0.865 108.8 45.7 -61.2 -37.9 3.9 74.8 38.5 376 376 A A H > S+ 0 0 61 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.885 112.3 50.9 -71.5 -40.4 5.5 73.1 41.5 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.4 1,-0.2 3,-0.3 0.936 109.8 50.0 -62.6 -45.4 8.9 74.6 40.7 378 378 A L H X S+ 0 0 20 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.891 107.4 55.3 -59.3 -42.2 7.5 78.1 40.4 379 379 A A H X S+ 0 0 28 -4,-1.5 4,-2.6 1,-0.2 5,-0.3 0.845 102.7 54.9 -60.9 -37.4 5.7 77.7 43.8 380 380 A T H X S+ 0 0 56 -4,-1.6 4,-1.0 -3,-0.3 -1,-0.2 0.864 112.3 44.1 -66.8 -34.2 8.9 76.8 45.6 381 381 A I H X S+ 0 0 8 -4,-1.4 4,-2.7 -3,-0.2 -2,-0.2 0.953 115.7 47.6 -72.7 -49.5 10.5 80.1 44.3 382 382 A A H X S+ 0 0 0 -4,-2.8 4,-2.7 2,-0.2 5,-0.3 0.907 110.9 47.7 -59.0 -50.0 7.4 82.2 45.1 383 383 A E H X S+ 0 0 97 -4,-2.6 4,-0.8 -292,-0.2 -1,-0.2 0.848 117.5 44.4 -62.3 -33.6 6.7 80.9 48.7 384 384 A N H < S+ 0 0 13 -4,-1.0 4,-0.3 -5,-0.3 -1,-0.2 0.855 112.8 51.2 -76.8 -39.3 10.4 81.5 49.5 385 385 A Y H < S+ 0 0 4 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.921 110.3 46.7 -66.8 -44.3 10.5 84.9 47.8 386 386 A V H < S- 0 0 3 -4,-2.7 -336,-0.7 -5,-0.2 -1,-0.2 0.793 126.9 -99.7 -67.5 -25.8 7.5 86.3 49.6 387 387 A G < - 0 0 6 -4,-0.8 -2,-0.1 -5,-0.3 -1,-0.1 0.184 28.7 -97.0 110.9 128.6 8.9 85.0 52.8 388 388 A L - 0 0 43 -4,-0.3 -337,-0.1 1,-0.1 -4,-0.1 -0.414 56.4 -82.5 -71.7 149.9 8.2 81.9 54.8 389 389 A P - 0 0 91 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.078 42.3-112.3 -52.4 145.4 5.9 82.2 57.9 390 390 A Y 0 0 71 1,-0.1 -86,-0.0 -3,-0.1 -3,-0.0 -0.574 360.0 360.0 -77.8 149.0 7.2 83.5 61.2 391 391 A E 0 0 124 -2,-0.2 -1,-0.1 -60,-0.1 -59,-0.0 0.798 360.0 360.0 -87.0 360.0 7.2 80.8 64.0