==== 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 29-MAY-98 1BGJ . 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) . 17457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 292 74.7 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 . 69 17.6 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 29.7 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 4 0 1 0 0 1 0 2 1 0 1 1 0 0 0 0 1 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 1 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 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 0 107 0, 0.0 150,-1.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 178.9 22.8 105.5 84.0 2 2 A K B +a 151 0A 136 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.968 360.0 153.9-152.8 158.2 20.5 102.6 84.0 3 3 A T - 0 0 11 148,-2.2 3,-0.1 -2,-0.3 25,-0.1 -0.929 44.6-106.9-167.8-174.9 17.7 101.0 81.9 4 4 A Q S S+ 0 0 50 1,-0.4 149,-3.0 23,-0.4 150,-1.8 0.898 98.7 15.3 -95.7 -59.0 16.1 97.7 81.1 5 5 A V E -de 28 154B 0 22,-1.6 24,-1.5 148,-0.2 2,-0.5 -0.945 68.3-155.8-118.1 137.0 17.3 96.6 77.7 6 6 A A E -de 29 155B 0 148,-2.3 150,-3.0 -2,-0.4 2,-0.5 -0.977 9.5-153.6-115.0 128.6 20.3 98.3 76.1 7 7 A I E -de 30 156B 0 22,-3.3 24,-2.8 -2,-0.5 2,-0.6 -0.910 1.3-152.2-108.2 126.5 20.5 98.2 72.2 8 8 A I E +de 31 157B 7 148,-2.4 150,-1.5 -2,-0.5 24,-0.2 -0.880 68.7 27.8 -98.9 118.0 23.8 98.4 70.4 9 9 A G - 0 0 8 22,-3.5 23,-0.2 -2,-0.6 2,-0.2 0.523 65.0-136.6 101.9 112.2 23.6 99.9 66.9 10 10 A A + 0 0 0 4,-0.1 22,-0.1 20,-0.1 -1,-0.1 -0.116 66.2 116.0 -89.7 38.1 21.0 102.4 65.7 11 11 A G S > S- 0 0 11 147,-0.5 4,-2.7 -2,-0.2 5,-0.4 -0.280 89.1 -73.3 -90.3-172.9 20.3 100.7 62.4 12 12 A P H > S+ 0 0 18 0, 0.0 4,-1.5 0, 0.0 5,-0.2 0.811 132.0 51.7 -52.4 -38.2 16.9 99.1 61.3 13 13 A S H > S+ 0 0 13 145,-0.2 4,-1.3 2,-0.2 5,-0.1 0.955 115.7 41.4 -66.7 -43.7 17.3 96.1 63.6 14 14 A G H > S+ 0 0 0 144,-0.4 4,-2.8 2,-0.2 3,-0.2 0.937 116.1 44.8 -70.1 -50.8 18.0 98.3 66.6 15 15 A L H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.817 111.4 55.2 -66.0 -30.0 15.4 101.1 66.1 16 16 A L H X S+ 0 0 4 -4,-1.5 4,-1.7 -5,-0.4 -1,-0.2 0.851 113.4 41.9 -70.1 -33.8 12.7 98.5 65.2 17 17 A L H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.2 5,-0.2 0.879 113.1 52.4 -77.8 -39.3 13.4 96.8 68.6 18 18 A G H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.885 113.3 45.4 -63.3 -37.3 13.7 100.0 70.5 19 19 A Q H X S+ 0 0 12 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.925 111.9 49.0 -70.6 -51.2 10.3 101.1 69.1 20 20 A L H < S+ 0 0 1 -4,-1.7 4,-0.5 1,-0.2 -2,-0.2 0.933 116.2 45.1 -55.0 -46.6 8.5 97.8 69.7 21 21 A L H ><>S+ 0 0 0 -4,-2.5 5,-1.2 2,-0.2 3,-1.0 0.891 111.0 50.8 -66.6 -43.6 9.8 97.8 73.2 22 22 A H H ><5S+ 0 0 54 -4,-2.2 3,-2.3 1,-0.3 -1,-0.2 0.956 107.8 54.3 -60.4 -47.9 9.0 101.4 74.0 23 23 A K T 3<5S+ 0 0 130 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.638 109.6 48.8 -61.0 -14.8 5.5 101.0 72.8 24 24 A A T < 5S- 0 0 37 -3,-1.0 -1,-0.3 -4,-0.5 -2,-0.2 0.358 120.8-106.7-105.3 0.5 5.1 98.0 75.2 25 25 A G T < 5S+ 0 0 49 -3,-2.3 2,-0.9 -4,-0.3 -3,-0.2 0.129 78.6 130.1 98.4 -21.2 6.5 100.0 78.2 26 26 A I < - 0 0 8 -5,-1.2 -1,-0.2 -6,-0.2 -2,-0.2 -0.584 55.6-135.6 -73.4 104.1 9.9 98.2 78.3 27 27 A D + 0 0 89 -2,-0.9 -22,-1.6 -3,-0.1 -23,-0.4 -0.238 29.4 175.4 -63.0 145.0 12.4 101.0 78.5 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.4 -25,-0.1 2,-0.4 -0.983 23.6-144.9-150.8 155.2 15.5 100.8 76.3 29 29 A V E -d 6 0B 6 -24,-1.5 -22,-3.3 -2,-0.3 2,-0.5 -0.993 15.1-149.3-125.0 129.8 18.6 102.9 75.4 30 30 A I E -df 7 120B 0 89,-0.9 91,-3.0 -2,-0.4 2,-0.5 -0.874 8.2-165.0-103.9 131.7 20.1 102.8 71.9 31 31 A L E -df 8 121B 2 -24,-2.8 -22,-3.5 -2,-0.5 2,-0.4 -0.961 8.3-176.0-115.8 128.7 23.9 103.4 71.4 32 32 A E - 0 0 12 89,-2.1 92,-2.9 -2,-0.5 127,-0.0 -0.935 23.7-152.8-126.0 147.2 25.3 104.1 68.0 33 33 A R S S+ 0 0 141 -2,-0.4 -1,-0.1 90,-0.2 2,-0.1 0.870 78.0 48.2 -82.3 -40.5 28.8 104.6 66.8 34 34 A Q S S- 0 0 48 1,-0.1 89,-1.4 89,-0.1 90,-0.2 -0.223 91.9 -84.3 -96.4-177.6 28.1 106.9 63.9 35 35 A T >> - 0 0 37 87,-0.2 3,-2.1 1,-0.1 4,-2.1 -0.604 38.7-113.8 -85.8 148.0 26.2 110.0 63.1 36 36 A P H 3> S+ 0 0 39 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.866 117.7 53.0 -48.4 -42.2 22.5 109.9 62.2 37 37 A D H 34 S+ 0 0 118 2,-0.2 4,-0.1 1,-0.2 -3,-0.0 0.648 106.6 51.6 -72.3 -15.8 23.2 111.1 58.7 38 38 A Y H X4 S+ 0 0 132 -3,-2.1 3,-0.8 2,-0.2 4,-0.4 0.868 110.3 47.8 -83.8 -41.5 25.9 108.4 58.2 39 39 A V H >< S+ 0 0 4 -4,-2.1 3,-0.9 1,-0.3 -2,-0.2 0.886 113.2 50.7 -63.0 -36.9 23.4 105.7 59.2 40 40 A L T 3< S+ 0 0 59 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.602 97.6 70.0 -75.3 -14.5 21.0 107.5 56.8 41 41 A G T < S+ 0 0 49 -3,-0.8 2,-0.7 -5,-0.1 -1,-0.2 0.611 71.9 102.3 -80.7 -11.8 23.6 107.4 54.1 42 42 A R < - 0 0 52 -3,-0.9 3,-0.1 -4,-0.4 61,-0.0 -0.667 48.9-171.1 -80.9 115.2 23.4 103.6 53.5 43 43 A I + 0 0 24 -2,-0.7 59,-0.6 59,-0.1 60,-0.5 0.902 42.7 126.5 -67.2 -47.9 21.3 102.8 50.4 44 44 A R + 0 0 117 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 0.236 50.3 38.3 30.1-128.1 21.3 99.0 51.1 45 45 A A + 0 0 26 1,-0.1 57,-2.4 56,-0.1 58,-0.3 -0.083 42.9 159.9 -58.1 140.9 17.9 97.2 51.2 46 46 A G + 0 0 10 55,-0.2 54,-1.9 1,-0.2 2,-0.6 0.604 54.9 72.5-132.7 -22.8 14.9 97.8 49.0 47 47 A V E -I 99 0C 15 52,-0.2 2,-0.4 50,-0.0 253,-0.2 -0.903 58.1-170.8-108.2 118.2 12.6 94.7 49.0 48 48 A L E -I 98 0C 0 50,-3.0 50,-2.7 -2,-0.6 2,-0.1 -0.854 15.9-133.1-109.7 141.0 10.5 94.0 52.1 49 49 A E > - 0 0 3 -2,-0.4 4,-1.8 48,-0.2 3,-0.4 -0.367 29.1-109.8 -82.2 165.4 8.4 90.9 53.0 50 50 A Q H > S+ 0 0 56 336,-0.7 4,-2.4 46,-0.4 5,-0.3 0.854 115.9 61.3 -66.5 -33.6 4.8 91.1 54.3 51 51 A G H > S+ 0 0 27 335,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.895 107.9 44.6 -60.2 -38.6 5.9 89.9 57.7 52 52 A M H > S+ 0 0 4 -3,-0.4 4,-2.2 2,-0.2 -1,-0.2 0.878 109.2 56.4 -72.2 -40.8 8.1 92.9 58.1 53 53 A V H X S+ 0 0 19 -4,-1.8 4,-1.1 1,-0.2 -2,-0.2 0.912 110.3 43.6 -59.6 -44.9 5.5 95.3 56.7 54 54 A D H X S+ 0 0 51 -4,-2.4 4,-2.0 1,-0.2 3,-0.4 0.889 109.7 58.8 -68.1 -37.3 2.9 94.2 59.4 55 55 A L H X S+ 0 0 4 -4,-1.6 4,-1.1 -5,-0.3 -2,-0.2 0.879 103.3 51.1 -60.4 -38.0 5.7 94.4 62.0 56 56 A L H <>S+ 0 0 5 -4,-2.2 5,-1.8 1,-0.2 -1,-0.3 0.823 108.4 53.1 -69.4 -27.8 6.3 98.1 61.1 57 57 A R H ><5S+ 0 0 146 -4,-1.1 3,-1.1 -3,-0.4 -2,-0.2 0.844 106.2 51.0 -74.4 -35.1 2.5 98.7 61.5 58 58 A E H 3<5S+ 0 0 88 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.732 108.1 53.9 -73.3 -23.2 2.6 97.1 65.0 59 59 A A T 3<5S- 0 0 1 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.348 116.1-123.7 -87.2 -1.6 5.5 99.5 65.7 60 60 A G T < 5S+ 0 0 50 -3,-1.1 2,-0.8 1,-0.1 3,-0.3 0.427 80.0 112.8 72.9 4.0 3.2 102.3 64.5 61 61 A V < + 0 0 21 -5,-1.8 -1,-0.1 1,-0.2 -3,-0.1 -0.729 38.4 97.0-110.6 83.9 5.5 103.5 61.8 62 62 A D > + 0 0 47 -2,-0.8 4,-2.8 -5,-0.2 5,-0.2 0.361 43.8 100.8-147.2 0.8 3.8 102.8 58.5 63 63 A R H > S+ 0 0 181 -3,-0.3 4,-0.7 1,-0.2 3,-0.2 0.983 93.7 38.1 -52.4 -66.9 2.0 106.0 57.4 64 64 A R H >> S+ 0 0 62 1,-0.2 4,-3.0 2,-0.2 3,-0.7 0.832 115.5 53.8 -54.2 -42.4 4.7 106.9 54.9 65 65 A M H 3> S+ 0 0 9 1,-0.3 4,-3.0 2,-0.2 -1,-0.2 0.937 106.9 50.5 -63.2 -43.6 5.3 103.4 53.8 66 66 A A H 3< S+ 0 0 82 -4,-2.8 -1,-0.3 -3,-0.2 -2,-0.2 0.603 116.5 43.6 -71.8 -9.9 1.7 102.7 53.0 67 67 A R H << S+ 0 0 131 -4,-0.7 -2,-0.2 -3,-0.7 -1,-0.2 0.815 128.2 22.5-100.3 -40.9 1.6 105.9 50.9 68 68 A D H < S+ 0 0 68 -4,-3.0 -3,-0.2 -5,-0.2 -2,-0.2 0.613 94.1 102.0-104.2 -16.0 4.9 105.6 49.1 69 69 A G < - 0 0 17 -4,-3.0 2,-0.6 -5,-0.4 31,-0.2 -0.466 65.6-135.8 -70.9 142.3 5.8 101.9 49.1 70 70 A L E -J 99 0C 51 29,-2.0 29,-3.0 -2,-0.1 2,-0.4 -0.904 13.5-140.8-101.2 122.7 5.0 100.1 45.8 71 71 A V E -J 98 0C 91 -2,-0.6 2,-0.5 27,-0.2 27,-0.2 -0.702 16.6-155.6 -84.8 132.3 3.3 96.7 46.3 72 72 A H E -J 97 0C 14 25,-2.9 25,-1.6 -2,-0.4 3,-0.1 -0.948 19.9-175.7-115.4 125.7 4.6 94.0 43.9 73 73 A E S S+ 0 0 95 -2,-0.5 16,-2.3 1,-0.2 15,-0.9 0.547 72.3 4.5 -90.6 -13.1 2.6 90.9 42.9 74 74 A G E -K 87 0D 0 13,-0.3 125,-0.3 14,-0.2 13,-0.2 -0.987 57.2-146.5-166.6 159.6 5.4 89.3 40.8 75 75 A V E -K 86 0D 6 11,-1.6 11,-3.1 -2,-0.3 2,-0.3 -0.660 18.2-127.9-121.2-179.5 9.0 89.5 39.7 76 76 A E E -Kl 85 200D 16 123,-2.2 125,-1.4 9,-0.3 2,-0.4 -0.938 9.0-162.3-132.5 155.1 10.9 88.5 36.5 77 77 A I E -Kl 84 201D 7 7,-2.8 7,-3.6 -2,-0.3 2,-0.4 -0.996 11.0-161.1-135.4 130.8 14.0 86.4 35.7 78 78 A A E +Kl 83 202D 5 123,-3.7 125,-2.7 -2,-0.4 2,-0.3 -0.953 22.9 147.5-119.8 131.3 15.8 86.8 32.4 79 79 A F E > +Kl 82 203D 16 3,-2.4 3,-1.6 -2,-0.4 125,-0.1 -0.958 58.6 2.3-160.6 143.6 18.1 84.1 31.0 80 80 A A T 3 S- 0 0 74 123,-0.6 124,-0.1 -2,-0.3 3,-0.1 0.814 126.4 -46.8 47.1 53.9 19.1 82.8 27.6 81 81 A G T 3 S+ 0 0 78 1,-0.1 2,-0.3 -3,-0.0 -1,-0.3 0.101 120.8 88.1 83.7 -25.6 17.1 85.1 25.3 82 82 A Q E < -K 79 0D 117 -3,-1.6 -3,-2.4 166,-0.0 2,-0.4 -0.838 62.4-145.3-113.8 148.4 13.8 84.8 27.2 83 83 A R E -K 78 0D 67 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.3 -0.921 18.1-164.4-106.7 134.8 12.3 86.7 30.1 84 84 A R E -K 77 0D 89 -7,-3.6 -7,-2.8 -2,-0.4 2,-0.3 -0.966 5.3-148.3-125.9 130.0 10.2 84.7 32.6 85 85 A R E -K 76 0D 100 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.3 -0.765 2.3-149.9-100.8 148.2 7.8 86.1 35.1 86 86 A I E -K 75 0D 0 -11,-3.1 -11,-1.6 -2,-0.3 2,-1.3 -0.972 10.2-147.9-115.1 114.0 6.9 84.7 38.5 87 87 A D E > -K 74 0D 46 -2,-0.6 4,-1.7 -13,-0.2 -13,-0.3 -0.743 18.6-178.3 -83.3 96.2 3.4 85.6 39.6 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-1.5 -15,-0.9 6,-0.4 0.854 70.6 63.8 -66.3 -34.2 4.0 85.8 43.4 89 89 A K H 4>S+ 0 0 94 -16,-2.3 5,-2.5 2,-0.2 3,-0.5 0.965 113.3 27.0 -59.1 -59.0 0.4 86.5 44.2 90 90 A R H >45S+ 0 0 158 1,-0.2 3,-1.2 3,-0.2 -1,-0.2 0.940 121.0 54.9 -71.3 -41.0 -1.2 83.3 43.1 91 91 A L H 3<5S+ 0 0 24 -4,-1.7 292,-0.3 1,-0.2 -1,-0.2 0.660 110.3 45.9 -67.8 -14.2 1.8 81.1 43.5 92 92 A S T 3<5S- 0 0 20 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.396 121.5 -93.6-111.8 6.9 2.3 82.1 47.2 93 93 A G T < 5S- 0 0 77 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.660 89.3 -45.6 91.0 15.9 -1.3 81.8 48.5 94 94 A G S - 0 0 1 113,-0.3 4,-2.5 -2,-0.2 -55,-0.2 0.027 12.2-134.0 -50.0 147.2 14.1 101.9 50.7 102 102 A Q H > S+ 0 0 12 -57,-2.4 4,-3.1 -59,-0.6 5,-0.2 0.884 109.2 59.7 -67.7 -37.6 16.0 101.0 53.9 103 103 A T H > S+ 0 0 29 -60,-0.5 4,-2.7 -58,-0.3 -1,-0.2 0.916 109.2 44.5 -54.7 -44.3 17.1 104.7 54.1 104 104 A E H > S+ 0 0 47 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.936 110.6 52.9 -64.4 -51.5 13.4 105.5 54.3 105 105 A V H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 5,-0.2 0.935 113.7 44.0 -50.7 -48.7 12.6 102.8 56.8 106 106 A T H X S+ 0 0 3 -4,-3.1 4,-3.0 2,-0.2 -2,-0.2 0.931 111.5 52.9 -64.4 -44.1 15.4 104.1 59.0 107 107 A R H X S+ 0 0 57 -4,-2.7 4,-1.6 -5,-0.2 -1,-0.2 0.906 113.1 45.9 -57.5 -41.6 14.3 107.8 58.5 108 108 A D H X S+ 0 0 13 -4,-3.0 4,-2.3 2,-0.2 -2,-0.2 0.914 113.8 45.2 -67.9 -49.7 10.8 106.7 59.5 109 109 A L H X S+ 0 0 2 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.880 112.2 55.1 -63.6 -35.7 11.8 104.7 62.6 110 110 A M H X S+ 0 0 30 -4,-3.0 4,-2.0 -5,-0.2 -1,-0.2 0.848 109.8 43.6 -65.7 -38.9 14.2 107.5 63.6 111 111 A E H X S+ 0 0 105 -4,-1.6 4,-2.7 -5,-0.2 5,-0.2 0.914 111.4 55.7 -70.9 -43.1 11.5 110.2 63.5 112 112 A A H X S+ 0 0 25 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.935 112.8 41.4 -52.0 -51.9 9.1 107.9 65.4 113 113 A R H X>S+ 0 0 3 -4,-2.5 5,-0.9 2,-0.2 4,-0.7 0.871 110.1 56.4 -66.9 -41.3 11.7 107.4 68.2 114 114 A E H ><5S+ 0 0 151 -4,-2.0 3,-1.0 1,-0.2 -1,-0.2 0.933 110.1 47.1 -56.9 -44.2 12.7 111.1 68.3 115 115 A A H 3<5S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.912 103.3 62.9 -64.0 -41.2 9.1 111.9 68.9 116 116 A S H 3<5S- 0 0 38 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.603 102.6-127.5 -62.5 -14.5 8.7 109.3 71.6 117 117 A G T <<5 + 0 0 67 -3,-1.0 -3,-0.1 -4,-0.7 2,-0.1 0.520 57.9 149.2 77.3 4.1 11.3 110.9 73.8 118 118 A A < - 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0 0 10 -2,-0.4 7,-0.2 -21,-0.2 -21,-0.2 -0.994 37.8 -98.4-131.3 141.1 23.0 86.4 53.3 292 292 A P > - 0 0 0 0, 0.0 3,-1.5 0, 0.0 4,-0.2 -0.387 35.2-122.5 -61.0 132.0 23.9 87.3 49.7 293 293 A P G > S+ 0 0 49 0, 0.0 3,-1.7 0, 0.0 -25,-0.0 0.657 95.2 92.1 -47.4 -23.4 21.5 90.2 48.5 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.0 0.819 91.0 41.6 -42.5 -45.8 20.3 88.1 45.6 295 295 A G G < S- 0 0 0 -3,-1.5 -1,-0.3 48,-0.1 48,-0.1 0.609 102.6-128.4 -83.9 -12.4 17.4 86.8 47.7 296 296 A A < + 0 0 20 -3,-1.7 -2,-0.1 -4,-0.2 -247,-0.1 0.955 69.7 121.0 62.6 53.7 16.4 90.1 49.4 297 297 A K > + 0 0 5 -5,-0.2 4,-2.4 -6,-0.1 5,-0.3 0.690 34.2 88.0-119.5 -24.2 16.5 88.6 52.9 298 298 A G H >> S+ 0 0 22 -7,-0.2 4,-2.2 1,-0.2 3,-0.8 0.911 100.9 34.5 -40.7 -69.2 19.0 90.4 55.2 299 299 A L H 3> S+ 0 0 19 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.896 117.5 56.0 -56.5 -41.4 16.7 93.1 56.5 300 300 A N H 3> S+ 0 0 2 1,-0.2 4,-1.2 -253,-0.2 -1,-0.3 0.768 108.6 46.2 -67.0 -25.4 13.8 90.6 56.5 301 301 A L H S+ 0 0 18 -4,-2.2 5,-1.6 2,-0.2 4,-1.3 0.913 107.5 52.3 -67.4 -45.2 7.4 90.9 76.7 315 315 A K H <5S+ 0 0 79 -4,-1.7 6,-2.2 -5,-0.2 -2,-0.2 0.832 115.6 43.2 -61.1 -29.8 6.7 87.4 78.0 316 316 A A H <5S+ 0 0 13 -4,-1.2 6,-0.4 4,-0.3 -2,-0.2 0.818 118.8 39.5 -86.6 -36.9 9.6 87.8 80.4 317 317 A Y H <5S+ 0 0 50 -4,-2.4 -3,-0.2 4,-0.1 -2,-0.1 0.979 132.2 17.1 -78.2 -65.6 9.0 91.4 81.6 318 318 A R T <5S+ 0 0 181 -4,-1.3 -3,-0.2 1,-0.2 -2,-0.1 0.965 133.5 42.7 -75.1 -49.0 5.3 91.6 82.0 319 319 A E S + 0 0 86 -6,-2.2 3,-1.2 1,-0.1 4,-0.2 -0.578 15.5 156.3-117.1 69.7 8.5 84.2 82.2 322 322 A G G > + 0 0 29 -2,-0.4 3,-1.2 -6,-0.4 4,-0.2 0.636 60.4 78.0 -69.2 -14.3 12.2 84.9 81.7 323 323 A E G > S+ 0 0 141 1,-0.2 3,-1.6 2,-0.1 -1,-0.2 0.816 80.0 72.0 -65.1 -28.6 12.9 81.3 81.1 324 324 A L G X S+ 0 0 25 -3,-1.2 3,-1.4 1,-0.3 -1,-0.2 0.664 76.4 76.5 -62.0 -21.2 11.6 81.6 77.6 325 325 A L G X S+ 0 0 10 -3,-1.2 3,-1.2 1,-0.3 4,-0.3 0.669 79.7 74.5 -68.2 -13.1 14.6 83.7 76.3 326 326 A E G < S+ 0 0 156 -3,-1.6 4,-0.3 1,-0.2 -1,-0.3 0.781 89.9 56.6 -69.9 -26.6 16.6 80.4 76.2 327 327 A R G <> S+ 0 0 144 -3,-1.4 4,-2.2 -4,-0.2 -1,-0.2 0.248 77.2 104.1 -92.5 19.5 14.8 79.3 73.1 328 328 A Y H <> S+ 0 0 0 -3,-1.2 4,-2.5 2,-0.2 3,-0.5 0.991 83.0 39.1 -60.3 -69.9 15.8 82.4 71.1 329 329 A S H > S+ 0 0 7 -4,-0.3 4,-2.2 1,-0.2 5,-0.3 0.837 113.9 57.9 -51.5 -37.0 18.5 81.0 68.8 330 330 A A H > S+ 0 0 51 -4,-0.3 4,-0.9 2,-0.2 -1,-0.2 0.939 112.0 39.9 -60.4 -48.6 16.5 77.8 68.5 331 331 A I H X S+ 0 0 30 -4,-2.2 4,-0.8 -3,-0.5 3,-0.4 0.969 120.1 44.1 -64.6 -54.7 13.5 79.6 67.1 332 332 A C H >X S+ 0 0 6 -4,-2.5 4,-2.4 1,-0.2 3,-1.3 0.939 105.8 56.3 -57.3 -59.6 15.4 82.1 64.9 333 333 A L H 3X S+ 0 0 21 -4,-2.2 4,-2.9 1,-0.3 5,-0.3 0.792 98.6 66.3 -46.5 -32.9 18.1 79.8 63.3 334 334 A R H 3X S+ 0 0 137 -4,-0.9 4,-1.1 -3,-0.4 -1,-0.3 0.926 110.9 33.0 -56.4 -48.7 15.2 77.7 61.9 335 335 A R H - 0 0 101 -2,-0.5 4,-1.6 1,-0.1 5,-0.1 -0.126 28.9 -97.4 -74.6 179.1 33.0 73.5 33.6 358 358 A A H > S+ 0 0 74 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.832 119.4 56.7 -65.0 -33.3 30.6 72.6 30.8 359 359 A F H > S+ 0 0 152 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.920 106.5 46.0 -67.3 -46.8 28.6 70.3 33.0 360 360 A S H > S+ 0 0 48 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.892 110.7 54.0 -65.2 -37.6 27.7 72.9 35.7 361 361 A Q H X S+ 0 0 113 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.921 109.7 47.5 -61.3 -43.9 26.8 75.5 33.2 362 362 A R H X S+ 0 0 167 -4,-1.8 4,-2.3 1,-0.2 -1,-0.2 0.883 111.9 51.1 -65.5 -35.4 24.4 73.1 31.6 363 363 A I H X S+ 0 0 81 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.864 108.1 52.0 -70.0 -33.7 23.0 72.3 35.0 364 364 A Q H X S+ 0 0 40 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.933 110.4 47.5 -66.6 -44.9 22.5 76.0 35.8 365 365 A Q H X S+ 0 0 73 -4,-2.2 4,-2.6 1,-0.2 3,-0.3 0.937 114.6 46.4 -63.2 -43.1 20.6 76.6 32.6 366 366 A T H X S+ 0 0 74 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.879 104.7 61.1 -67.9 -34.8 18.4 73.5 33.3 367 367 A E H X S+ 0 0 58 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.906 112.1 40.7 -57.7 -36.8 18.0 74.6 36.9 368 368 A L H X S+ 0 0 5 -4,-1.7 4,-1.9 -3,-0.3 -2,-0.2 0.914 112.1 53.2 -77.7 -43.4 16.3 77.7 35.5 369 369 A E H < S+ 0 0 112 -4,-2.6 -2,-0.2 2,-0.2 4,-0.2 0.839 116.4 40.2 -61.5 -36.1 14.4 75.9 32.7 370 370 A Y H >X S+ 0 0 124 -4,-2.9 4,-2.0 -5,-0.2 3,-1.9 0.976 116.1 45.3 -77.5 -59.6 12.8 73.5 35.2 371 371 A Y H 3< S+ 0 0 65 -4,-1.8 10,-0.2 -5,-0.3 -2,-0.2 0.726 117.0 46.6 -57.3 -24.5 12.1 75.8 38.2 372 372 A L T 3< S+ 0 0 5 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.419 119.5 39.4 -98.0 -0.7 10.6 78.5 35.9 373 373 A G T <4 S+ 0 0 53 -3,-1.9 2,-0.5 -4,-0.2 -2,-0.2 0.497 96.4 82.1-121.8 -15.0 8.5 76.1 33.9 374 374 A S S X S- 0 0 26 -4,-2.0 4,-2.5 1,-0.1 5,-0.2 -0.837 70.1-143.1 -94.0 132.0 7.2 73.7 36.5 375 375 A E H > S+ 0 0 100 -2,-0.5 4,-1.2 1,-0.2 -1,-0.1 0.816 105.8 48.2 -64.9 -25.4 4.1 74.9 38.4 376 376 A A H > S+ 0 0 65 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.831 111.7 50.4 -81.2 -31.4 5.6 73.2 41.5 377 377 A G H > S+ 0 0 2 -7,-0.2 4,-1.1 2,-0.2 -2,-0.2 0.869 107.0 51.8 -73.4 -37.7 8.9 74.8 40.9 378 378 A L H >X S+ 0 0 20 -4,-2.5 4,-2.9 1,-0.2 3,-0.5 0.922 107.8 55.0 -64.4 -43.2 7.6 78.3 40.4 379 379 A A H 3X S+ 0 0 28 -4,-1.2 4,-2.9 1,-0.2 5,-0.4 0.921 100.7 57.1 -55.2 -48.5 5.8 77.9 43.7 380 380 A T H 3X S+ 0 0 57 -4,-1.6 4,-0.8 1,-0.2 -1,-0.2 0.834 113.0 41.5 -54.5 -36.1 8.9 77.0 45.7 381 381 A I H