==== 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 13-JUL-98 1BKW . COMPND 2 MOLECULE: PROTEIN (P-HYDROXYBENZOATE HYDROXYLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR M.H.EPPINK,H.A.SCHREUDER,W.J.VAN BERKEL . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17228.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 289 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.4 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 . 38 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 30.2 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 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 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 0 106 0, 0.0 150,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 171.3 22.7 105.9 83.9 2 2 A K B +a 151 0A 129 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.988 360.0 159.7-144.3 146.2 20.4 102.9 84.0 3 3 A T - 0 0 8 148,-2.2 3,-0.2 -2,-0.3 25,-0.1 -0.884 42.2-116.9-150.7-179.5 17.8 101.4 81.7 4 4 A Q S S+ 0 0 45 23,-0.7 149,-2.3 1,-0.3 150,-1.6 0.879 99.1 19.1 -91.8 -50.3 16.0 98.1 81.1 5 5 A V E -de 28 154B 1 22,-1.6 24,-1.8 148,-0.2 2,-0.5 -0.973 67.9-155.3-127.2 121.0 17.3 97.2 77.7 6 6 A A E -de 29 155B 0 148,-2.4 150,-2.5 -2,-0.5 2,-0.5 -0.838 11.9-158.6 -94.8 131.8 20.5 98.6 76.1 7 7 A I E -de 30 156B 0 22,-3.3 24,-3.0 -2,-0.5 2,-0.7 -0.949 4.0-153.1-115.4 121.6 20.5 98.5 72.3 8 8 A I E +de 31 157B 7 148,-2.4 150,-1.8 -2,-0.5 24,-0.2 -0.862 66.0 27.5 -96.8 114.9 23.8 98.7 70.5 9 9 A G - 0 0 7 22,-3.5 23,-0.2 -2,-0.7 22,-0.1 0.274 59.8-138.3 108.4 128.1 23.4 100.2 67.0 10 10 A A + 0 0 0 4,-0.1 -1,-0.1 20,-0.1 22,-0.1 -0.265 62.9 119.3-109.3 42.4 20.9 102.6 65.5 11 11 A G S > S- 0 0 13 147,-0.5 4,-2.4 1,-0.0 5,-0.3 -0.322 90.2 -77.0 -88.3-173.0 20.4 100.8 62.2 12 12 A P H > S+ 0 0 18 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.865 131.3 56.1 -57.6 -34.1 16.9 99.5 61.3 13 13 A S H > S+ 0 0 15 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.975 112.9 38.8 -59.7 -58.8 17.2 96.5 63.7 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.857 117.1 49.5 -61.0 -40.7 17.9 98.6 66.8 15 15 A L H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.919 112.8 47.5 -66.4 -42.9 15.5 101.4 65.9 16 16 A L H X S+ 0 0 5 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.923 114.3 45.7 -64.5 -45.6 12.7 98.9 65.3 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.894 113.0 51.5 -63.3 -41.1 13.3 96.9 68.5 18 18 A G H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.872 110.8 48.0 -64.4 -37.5 13.5 100.2 70.4 19 19 A Q H X S+ 0 0 10 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.923 112.0 48.4 -69.2 -46.5 10.2 101.4 69.0 20 20 A L H X S+ 0 0 2 -4,-2.6 4,-1.3 1,-0.2 -2,-0.2 0.913 116.0 44.4 -61.0 -42.5 8.4 98.2 69.7 21 21 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 4,-0.3 0.916 110.6 52.4 -68.7 -45.6 9.8 98.1 73.3 22 22 A H H ><5S+ 0 0 55 -4,-2.5 3,-2.0 1,-0.2 -2,-0.2 0.954 109.4 51.2 -55.1 -48.7 9.1 101.8 74.0 23 23 A K H 3<5S+ 0 0 120 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.775 108.3 51.5 -57.2 -35.6 5.5 101.3 72.9 24 24 A A T 3<5S- 0 0 38 -4,-1.3 -1,-0.3 -3,-0.2 -2,-0.2 0.382 123.1-106.1 -83.4 0.7 5.1 98.3 75.2 25 25 A G T < 5S+ 0 0 51 -3,-2.0 2,-0.7 -4,-0.3 -3,-0.2 0.584 77.8 132.9 87.0 11.0 6.5 100.4 78.1 26 26 A I < - 0 0 7 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.857 54.6-131.9 -99.1 111.1 9.9 98.7 78.3 27 27 A D + 0 0 92 -2,-0.7 -22,-1.6 -3,-0.1 -23,-0.7 -0.410 32.2 174.8 -66.3 139.2 12.5 101.5 78.6 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.971 22.5-149.1-145.4 153.8 15.5 101.2 76.3 29 29 A V E -df 6 119B 5 -24,-1.8 -22,-3.3 -2,-0.3 2,-0.5 -0.994 12.6-149.0-125.6 132.8 18.5 103.2 75.3 30 30 A I E -df 7 120B 0 89,-2.1 91,-3.2 -2,-0.4 2,-0.5 -0.898 7.0-162.5-105.7 130.4 20.1 103.1 71.9 31 31 A L E -df 8 121B 2 -24,-3.0 -22,-3.5 -2,-0.5 2,-0.5 -0.950 9.9-176.5-111.5 121.9 23.9 103.6 71.5 32 32 A E - 0 0 12 89,-2.9 92,-2.5 -2,-0.5 91,-0.4 -0.982 22.4-155.4-124.9 130.2 25.2 104.5 68.0 33 33 A R S S+ 0 0 140 -2,-0.5 -1,-0.1 90,-0.3 2,-0.1 0.846 79.3 49.6 -66.2 -39.2 28.8 104.9 67.0 34 34 A Q S S- 0 0 39 89,-0.1 89,-2.0 1,-0.1 90,-0.2 -0.191 91.9 -91.4 -92.9-173.0 28.1 107.2 64.0 35 35 A T >> - 0 0 34 87,-0.2 4,-2.1 88,-0.1 3,-0.7 -0.629 37.9-106.3 -97.4 160.8 26.0 110.3 63.4 36 36 A P H 3> S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.860 119.3 48.2 -53.8 -43.1 22.4 110.4 62.3 37 37 A D H 3> S+ 0 0 123 2,-0.2 4,-0.6 1,-0.2 -3,-0.0 0.780 106.7 56.1 -73.5 -23.3 23.2 111.6 58.8 38 38 A Y H X4 S+ 0 0 126 -3,-0.7 3,-1.2 2,-0.2 4,-0.4 0.960 110.6 45.2 -69.9 -48.6 25.9 109.0 58.3 39 39 A V H >< S+ 0 0 6 -4,-2.1 3,-1.5 1,-0.3 -2,-0.2 0.926 112.1 52.5 -57.9 -45.1 23.4 106.3 59.1 40 40 A L H 3< S+ 0 0 52 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.612 97.7 68.1 -68.7 -10.9 20.9 108.0 56.8 41 41 A G T << S+ 0 0 49 -3,-1.2 2,-0.6 -4,-0.6 -1,-0.3 0.625 73.8 104.9 -84.3 -12.1 23.5 108.0 54.0 42 42 A R < - 0 0 74 -3,-1.5 2,-0.7 -4,-0.4 -3,-0.0 -0.588 53.3-164.1 -76.4 116.4 23.4 104.2 53.6 43 43 A I + 0 0 40 -2,-0.6 3,-0.1 1,-0.1 -2,-0.1 -0.898 40.3 124.0 -97.3 113.4 21.6 103.1 50.5 44 44 A K + 0 0 92 -2,-0.7 -1,-0.1 1,-0.4 59,-0.0 0.117 46.5 37.7-131.8-105.9 20.9 99.4 51.0 45 45 A A + 0 0 25 1,-0.1 57,-2.3 56,-0.1 -1,-0.4 -0.101 37.6 167.9 -59.2 146.9 17.6 97.5 51.0 46 46 A G + 0 0 8 55,-0.2 54,-1.8 1,-0.2 2,-0.5 0.541 59.9 70.5-129.9 -21.8 14.7 98.1 48.6 47 47 A V E -I 99 0C 14 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.887 56.7-172.6-112.3 124.5 12.5 95.1 49.1 48 48 A L E -I 98 0C 0 50,-3.2 50,-2.6 -2,-0.5 2,-0.1 -0.878 18.8-130.8-114.2 140.0 10.4 94.3 52.3 49 49 A E E >> -I 97 0C 6 -2,-0.4 4,-2.1 48,-0.2 3,-0.6 -0.455 29.8-109.4 -80.6 162.1 8.4 91.2 53.1 50 50 A Q H 3> S+ 0 0 62 336,-0.7 4,-2.6 46,-0.6 5,-0.2 0.880 118.1 59.9 -59.2 -39.0 4.8 91.5 54.4 51 51 A G H 3> S+ 0 0 24 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.856 107.0 45.0 -58.1 -38.6 5.9 90.4 57.8 52 52 A M H <> S+ 0 0 3 -3,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.876 110.4 55.4 -72.6 -37.9 8.2 93.4 58.1 53 53 A V H X S+ 0 0 20 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.924 109.6 46.6 -60.6 -42.2 5.4 95.6 56.7 54 54 A D H X S+ 0 0 57 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.798 109.4 54.3 -69.9 -31.0 3.0 94.5 59.5 55 55 A L H X S+ 0 0 3 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.849 106.8 50.8 -71.0 -36.2 5.7 94.9 62.1 56 56 A L H <>S+ 0 0 3 -4,-2.0 5,-2.8 2,-0.2 -2,-0.2 0.885 111.4 49.0 -67.2 -38.1 6.2 98.5 61.0 57 57 A R H ><5S+ 0 0 146 -4,-1.6 3,-1.8 3,-0.2 -2,-0.2 0.951 110.7 49.3 -65.6 -46.0 2.5 99.0 61.3 58 58 A E H 3<5S+ 0 0 90 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.856 108.7 53.0 -60.9 -36.2 2.5 97.4 64.8 59 59 A A T 3<5S- 0 0 2 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.478 116.8-120.2 -75.2 -6.2 5.4 99.7 65.8 60 60 A G T < 5S+ 0 0 51 -3,-1.8 3,-0.2 -4,-0.1 -3,-0.2 0.698 82.6 112.8 73.8 24.7 3.1 102.6 64.6 61 61 A V < + 0 0 16 -5,-2.8 -4,-0.2 -6,-0.2 4,-0.2 -0.379 40.0 97.3-123.6 56.8 5.5 103.8 61.9 62 62 A D > + 0 0 41 -5,-0.2 4,-3.2 2,-0.1 5,-0.3 0.449 43.8 100.6-124.1 2.8 3.8 103.0 58.7 63 63 A R H > S+ 0 0 169 1,-0.2 4,-1.8 -3,-0.2 5,-0.1 0.959 94.2 35.5 -50.4 -64.3 2.0 106.2 57.6 64 64 A R H > S+ 0 0 53 1,-0.2 4,-3.6 2,-0.2 5,-0.4 0.847 117.4 53.1 -60.6 -41.9 4.6 107.2 55.0 65 65 A M H > S+ 0 0 10 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.927 108.4 50.4 -61.8 -43.4 5.4 103.7 54.0 66 66 A A H < S+ 0 0 75 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.871 118.6 39.7 -61.7 -36.6 1.7 103.0 53.3 67 67 A R H < S+ 0 0 134 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.898 129.6 26.1 -78.5 -44.6 1.6 106.2 51.2 68 68 A D H < S+ 0 0 69 -4,-3.6 -3,-0.2 -5,-0.1 -2,-0.2 0.678 94.0 99.0 -96.7 -26.0 4.9 105.9 49.4 69 69 A G < - 0 0 17 -4,-2.9 2,-0.5 -5,-0.4 31,-0.2 -0.295 65.4-133.4 -63.7 155.3 5.8 102.2 49.3 70 70 A L E -J 99 0C 51 29,-2.4 29,-3.3 144,-0.1 2,-0.4 -0.950 10.5-143.2-114.3 124.5 5.0 100.2 46.1 71 71 A V E -J 98 0C 91 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.746 17.3-160.8 -88.1 128.8 3.3 96.8 46.4 72 72 A H E -J 97 0C 12 25,-3.0 25,-1.8 -2,-0.4 126,-0.1 -0.950 18.4-176.4-113.9 136.0 4.6 94.3 43.9 73 73 A E S S+ 0 0 89 -2,-0.4 16,-1.8 23,-0.2 15,-0.9 0.448 70.7 19.7-106.6 -6.3 2.7 91.2 42.8 74 74 A G E -K 87 0D 1 13,-0.3 125,-0.4 14,-0.2 2,-0.3 -0.958 56.5-157.0-154.7 170.0 5.3 89.7 40.5 75 75 A V E -K 86 0D 5 11,-1.7 11,-3.5 -2,-0.3 2,-0.3 -0.953 19.1-130.9-148.6 154.1 9.0 89.7 39.7 76 76 A E E -Kl 85 200D 27 123,-2.3 125,-2.5 -2,-0.3 2,-0.5 -0.893 9.1-162.5-116.2 150.3 10.9 88.7 36.4 77 77 A I E -Kl 84 201D 9 7,-2.7 7,-2.9 -2,-0.3 2,-0.5 -0.997 10.8-163.7-127.8 121.0 13.9 86.5 35.7 78 78 A A E +Kl 83 202D 4 123,-3.1 125,-2.9 -2,-0.5 2,-0.3 -0.925 19.7 158.8-108.0 128.9 15.5 87.0 32.3 79 79 A F E > -Kl 82 203D 5 3,-2.4 3,-2.2 -2,-0.5 125,-0.1 -0.984 56.9 -17.5-152.1 141.6 17.9 84.2 31.2 80 80 A A T 3 S- 0 0 63 123,-0.6 2,-0.3 -2,-0.3 3,-0.1 0.749 129.7 -31.7 28.7 70.2 19.3 83.1 27.8 81 81 A G T 3 S+ 0 0 84 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 -0.143 121.7 83.9 92.0 -39.0 16.8 84.7 25.5 82 82 A Q E < -K 79 0D 70 -3,-2.2 -3,-2.4 -2,-0.3 2,-0.4 -0.572 56.0-152.4-105.9 162.8 13.7 84.7 27.6 83 83 A R E -K 78 0D 72 -5,-0.3 2,-0.4 -2,-0.2 -5,-0.3 -0.999 19.3-168.4-126.8 122.7 12.1 86.8 30.3 84 84 A R E -K 77 0D 87 -7,-2.9 -7,-2.7 -2,-0.4 2,-0.4 -0.977 9.8-145.8-120.3 129.3 9.8 84.9 32.7 85 85 A R E -K 76 0D 106 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.754 4.2-150.9 -94.3 136.3 7.5 86.5 35.2 86 86 A I E -K 75 0D 0 -11,-3.5 -11,-1.7 -2,-0.4 2,-1.3 -0.942 11.1-144.4-107.4 117.0 6.8 84.9 38.6 87 87 A D E > -K 74 0D 43 -2,-0.6 4,-2.1 -13,-0.2 -13,-0.3 -0.768 20.5-178.4 -83.4 94.7 3.3 85.8 39.9 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-2.4 -15,-0.9 7,-0.3 0.916 74.7 56.7 -60.2 -48.5 4.1 86.0 43.6 89 89 A K H 4>S+ 0 0 87 -16,-1.8 5,-4.3 1,-0.2 4,-0.3 0.882 115.7 32.8 -56.8 -44.1 0.6 86.8 44.6 90 90 A R H 45S+ 0 0 145 -17,-0.3 -1,-0.2 3,-0.2 -2,-0.2 0.840 120.6 48.6 -86.1 -28.6 -1.1 83.7 43.1 91 91 A L H <5S+ 0 0 25 -4,-2.1 292,-0.2 1,-0.2 -2,-0.2 0.777 115.6 43.6 -80.4 -24.7 1.8 81.3 43.5 92 92 A S T <5S- 0 0 22 -4,-2.4 -1,-0.2 3,-0.3 -2,-0.2 0.459 122.1-102.1 -96.3 -3.9 2.3 82.2 47.2 93 93 A G T 5S- 0 0 70 -4,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.858 84.3 -35.6 87.6 33.1 -1.4 82.3 48.0 94 94 A G S - 0 0 1 113,-0.3 4,-2.1 -2,-0.3 -55,-0.2 -0.102 12.7-130.1 -55.1 149.3 13.9 102.1 50.7 102 102 A Q H > S+ 0 0 21 -57,-2.3 4,-2.5 1,-0.2 5,-0.2 0.823 110.6 57.8 -68.0 -32.1 15.9 101.3 53.8 103 103 A T H > S+ 0 0 24 -58,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.897 108.4 48.1 -62.7 -39.4 16.9 104.9 54.1 104 104 A E H > S+ 0 0 45 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.917 110.5 48.7 -66.3 -49.7 13.2 105.7 54.3 105 105 A V H X S+ 0 0 3 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.915 114.1 48.5 -55.9 -45.6 12.4 103.0 56.9 106 106 A T H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.924 110.7 49.2 -62.3 -45.8 15.3 104.3 58.9 107 107 A R H X S+ 0 0 53 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.932 111.6 49.7 -59.7 -48.0 14.2 108.0 58.6 108 108 A D H X S+ 0 0 19 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.854 113.0 46.3 -60.2 -41.1 10.7 107.1 59.7 109 109 A L H X S+ 0 0 1 -4,-2.0 4,-2.6 -5,-0.2 -1,-0.2 0.893 110.7 52.8 -69.8 -39.2 11.9 105.2 62.7 110 110 A M H X S+ 0 0 28 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.898 111.5 46.6 -62.9 -39.5 14.3 107.9 63.7 111 111 A E H X S+ 0 0 109 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.940 110.2 52.6 -67.3 -47.7 11.5 110.5 63.6 112 112 A A H X S+ 0 0 26 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.928 114.0 43.6 -52.9 -48.7 9.2 108.2 65.6 113 113 A R H X>S+ 0 0 3 -4,-2.6 4,-1.1 2,-0.2 5,-0.9 0.895 109.1 54.9 -66.6 -44.2 11.8 107.8 68.3 114 114 A E H ><5S+ 0 0 165 -4,-2.5 3,-0.6 1,-0.2 -1,-0.2 0.922 111.7 46.7 -56.6 -41.0 12.8 111.5 68.4 115 115 A A H 3<5S+ 0 0 88 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.800 106.0 58.0 -71.7 -30.3 9.2 112.3 69.0 116 116 A S H 3<5S- 0 0 39 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.674 103.2-130.6 -73.0 -19.7 8.7 109.6 71.7 117 117 A G T <<5 + 0 0 64 -4,-1.1 -3,-0.1 -3,-0.6 -2,-0.1 0.576 52.5 152.5 80.9 7.8 11.5 111.2 73.7 118 118 A A < - 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0 0 102 -2,-0.5 4,-1.5 1,-0.1 5,-0.2 -0.245 29.1 -96.3 -76.9 175.2 33.0 73.6 33.6 358 358 A A H > S+ 0 0 78 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.892 120.2 54.0 -56.3 -46.2 30.5 72.8 30.8 359 359 A F H > S+ 0 0 151 1,-0.2 4,-2.2 2,-0.2 3,-0.2 0.959 108.5 46.6 -57.2 -54.6 28.4 70.5 32.9 360 360 A S H > S+ 0 0 47 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.796 110.1 55.1 -62.8 -23.4 27.8 72.9 35.8 361 361 A Q H X S+ 0 0 113 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.915 108.4 47.6 -72.8 -43.3 26.9 75.6 33.3 362 362 A R H X S+ 0 0 165 -4,-2.1 4,-2.4 -3,-0.2 -2,-0.2 0.879 111.3 51.1 -63.5 -41.1 24.3 73.4 31.7 363 363 A I H X S+ 0 0 76 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.875 107.5 52.9 -64.5 -38.8 22.8 72.5 35.1 364 364 A Q H X S+ 0 0 38 -4,-1.8 4,-1.5 1,-0.2 -2,-0.2 0.920 112.4 45.5 -62.7 -42.8 22.6 76.2 36.1 365 365 A Q H X S+ 0 0 64 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.904 113.0 49.3 -65.4 -43.3 20.6 76.8 32.9 366 366 A T H X S+ 0 0 70 -4,-2.4 4,-2.9 2,-0.2 5,-0.2 0.816 104.2 60.0 -66.7 -32.9 18.4 73.7 33.4 367 367 A E H X S+ 0 0 58 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.940 109.7 43.7 -59.2 -46.1 17.7 74.8 37.0 368 368 A L H X S+ 0 0 6 -4,-1.5 4,-2.4 2,-0.2 5,-0.2 0.959 113.2 50.2 -64.8 -49.2 16.2 78.0 35.6 369 369 A E H < S+ 0 0 80 -4,-2.4 4,-0.4 1,-0.2 -2,-0.2 0.868 116.8 42.1 -58.1 -39.5 14.3 76.2 32.8 370 370 A Y H >X S+ 0 0 121 -4,-2.9 4,-1.7 2,-0.2 3,-0.8 0.955 116.5 43.2 -73.3 -54.7 12.8 73.8 35.3 371 371 A Y H 3< S+ 0 0 61 -4,-2.7 10,-0.2 1,-0.2 -2,-0.2 0.803 118.4 45.9 -64.0 -30.8 11.9 76.0 38.2 372 372 A L T 3< S+ 0 0 8 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.552 117.7 43.7 -87.1 -9.6 10.5 78.7 35.9 373 373 A G T <4 S+ 0 0 53 -3,-0.8 2,-0.4 -4,-0.4 -2,-0.2 0.574 99.1 78.1-108.7 -14.4 8.6 76.2 33.8 374 374 A S X - 0 0 27 -4,-1.7 4,-2.9 1,-0.1 5,-0.2 -0.824 68.9-143.4 -99.1 140.2 7.1 74.0 36.5 375 375 A E H > S+ 0 0 108 -2,-0.4 4,-1.4 2,-0.2 -1,-0.1 0.859 108.0 45.7 -65.9 -37.4 4.1 75.0 38.6 376 376 A A H > S+ 0 0 62 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.924 112.8 50.6 -71.0 -42.4 5.6 73.4 41.6 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.4 1,-0.2 3,-0.4 0.924 109.3 49.8 -61.2 -45.3 9.0 74.9 40.9 378 378 A L H X S+ 0 0 23 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.846 107.3 56.1 -62.5 -35.9 7.5 78.4 40.6 379 379 A A H X S+ 0 0 29 -4,-1.4 4,-2.5 2,-0.2 5,-0.2 0.816 102.4 54.6 -66.0 -34.0 5.7 78.0 43.9 380 380 A T H X S+ 0 0 54 -4,-1.5 4,-1.0 -3,-0.4 -1,-0.2 0.876 112.6 44.0 -69.0 -35.6 9.0 77.2 45.7 381 381 A I H X S+ 0 0 10 -4,-1.4 4,-2.9 -10,-0.2 3,-0.2 0.965 115.6 47.9 -70.2 -51.7 10.5 80.5 44.5 382 382 A A H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 5,-0.3 0.897 111.4 47.5 -56.6 -49.2 7.3 82.5 45.2 383 383 A E H X S+ 0 0 99 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.814 117.0 44.7 -65.9 -29.5 6.7 81.2 48.8 384 384 A N H < S+ 0 0 13 -4,-1.0 4,-0.3 -5,-0.2 -2,-0.2 0.872 113.0 50.9 -79.7 -38.8 10.4 81.8 49.6 385 385 A Y H < S+ 0 0 6 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.902 109.9 46.6 -65.9 -46.7 10.5 85.2 48.0 386 386 A V H < S- 0 0 4 -4,-2.5 -336,-0.7 -5,-0.2 -1,-0.2 0.765 127.8 -95.1 -67.6 -23.4 7.4 86.7 49.7 387 387 A G < - 0 0 4 -4,-0.6 -2,-0.1 -5,-0.3 -1,-0.1 0.155 29.1-100.2 113.5 129.0 8.8 85.3 52.9 388 388 A L - 0 0 37 -4,-0.3 -4,-0.1 1,-0.1 -49,-0.0 -0.463 57.2 -84.3 -73.7 149.6 8.3 82.2 54.9 389 389 A P - 0 0 94 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.094 42.1-110.9 -54.6 150.0 5.9 82.5 57.9 390 390 A Y 0 0 70 1,-0.1 -86,-0.0 -3,-0.1 -3,-0.0 -0.635 360.0 360.0 -81.0 144.7 7.2 83.8 61.3 391 391 A E 0 0 117 -2,-0.3 -1,-0.1 -60,-0.1 -59,-0.1 0.720 360.0 360.0-105.7 360.0 7.3 81.1 64.0