==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 01-DEC-94 1PDH . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS FLUORESCENS; . AUTHOR H.A.SCHREUDER,M.H.M.EPPINK,W.J.H.VAN BERKEL . 391 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17078.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 73.7 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 . 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 . 119 30.4 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 2 2 1 0 0 1 1 0 2 0 0 1 1 0 0 0 0 1 0 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 0 110 0, 0.0 150,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 160.1 22.7 105.9 84.1 2 2 A K B +a 151 0A 118 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.973 360.0 165.8-140.7 153.2 20.5 102.8 83.9 3 3 A T - 0 0 10 148,-2.0 3,-0.2 -2,-0.3 25,-0.1 -0.873 39.2-118.7-152.0 178.2 17.9 101.3 81.5 4 4 A Q S S+ 0 0 51 23,-0.6 149,-2.6 1,-0.3 150,-1.8 0.892 98.8 23.1 -91.0 -56.4 16.2 98.0 81.0 5 5 A V E -de 28 154B 1 22,-2.3 24,-1.7 148,-0.2 2,-0.5 -0.943 69.2-156.4-117.4 121.3 17.4 97.1 77.5 6 6 A A E -de 29 155B 0 148,-2.6 150,-2.9 -2,-0.5 2,-0.5 -0.831 11.7-160.2 -93.9 128.4 20.7 98.5 76.1 7 7 A I E -de 30 156B 0 22,-3.1 24,-2.8 -2,-0.5 2,-0.7 -0.955 5.0-154.5-116.1 120.5 20.7 98.5 72.3 8 8 A I E +de 31 157B 7 148,-2.5 150,-1.9 -2,-0.5 24,-0.2 -0.855 64.8 27.8 -95.7 114.5 24.1 98.7 70.5 9 9 A G - 0 0 7 22,-3.4 23,-0.2 -2,-0.7 150,-0.1 0.312 58.9-138.5 108.8 130.6 23.6 100.2 67.0 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 149,-0.1 -0.254 62.9 112.6-114.1 41.7 21.2 102.6 65.4 11 11 A G S > S- 0 0 15 147,-0.5 4,-2.1 29,-0.0 5,-0.3 -0.252 94.1 -70.7 -92.1-167.0 20.6 100.9 62.0 12 12 A P H > S+ 0 0 17 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.864 131.4 56.4 -56.6 -38.1 17.1 99.4 61.2 13 13 A S H > S+ 0 0 14 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.967 113.1 36.9 -58.3 -59.3 17.6 96.5 63.7 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.8 2,-0.2 -1,-0.2 0.887 118.5 49.4 -62.9 -42.3 18.2 98.6 66.8 15 15 A L H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.914 113.2 47.2 -63.6 -43.6 15.8 101.4 65.9 16 16 A L H X S+ 0 0 2 -4,-2.5 4,-2.2 -5,-0.3 5,-0.2 0.946 114.6 46.1 -64.9 -46.6 13.0 98.9 65.2 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.3 -5,-0.3 5,-0.2 0.926 112.9 51.2 -61.8 -42.3 13.7 97.0 68.4 18 18 A G H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -1,-0.2 0.842 110.1 48.1 -65.2 -34.2 13.9 100.3 70.4 19 19 A Q H X S+ 0 0 11 -4,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.914 112.1 47.9 -73.4 -43.3 10.6 101.6 69.0 20 20 A L H X S+ 0 0 1 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.918 115.0 45.9 -62.0 -45.3 8.6 98.4 69.7 21 21 A L H <>S+ 0 0 0 -4,-2.3 5,-3.0 -5,-0.2 -1,-0.2 0.897 111.4 52.3 -65.9 -41.4 10.0 98.2 73.2 22 22 A H H ><5S+ 0 0 60 -4,-1.9 3,-2.3 -5,-0.2 -2,-0.2 0.967 109.1 49.2 -58.4 -52.5 9.3 101.8 73.9 23 23 A K H 3<5S+ 0 0 125 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.753 109.4 53.1 -58.5 -27.1 5.7 101.5 72.8 24 24 A A T 3<5S- 0 0 38 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.375 122.1-108.0 -88.9 1.7 5.4 98.4 75.0 25 25 A G T < 5S+ 0 0 54 -3,-2.3 2,-0.7 1,-0.2 -3,-0.2 0.620 76.3 133.9 83.0 13.6 6.7 100.5 78.0 26 26 A I < - 0 0 7 -5,-3.0 -1,-0.2 -6,-0.2 -2,-0.2 -0.868 54.7-129.3-100.4 113.7 10.1 98.8 78.2 27 27 A D + 0 0 94 -2,-0.7 -22,-2.3 -3,-0.1 -23,-0.6 -0.380 33.7 172.2 -66.7 140.7 12.8 101.4 78.6 28 28 A N E -d 5 0B 6 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.984 22.8-152.1-149.5 148.1 15.8 101.2 76.2 29 29 A V E -df 6 119B 5 -24,-1.7 -22,-3.1 -2,-0.3 2,-0.5 -0.978 14.1-148.6-122.2 135.2 18.8 103.3 75.3 30 30 A I E -df 7 120B 0 89,-2.0 91,-3.2 -2,-0.4 2,-0.5 -0.931 7.3-162.9-108.2 131.2 20.4 103.1 71.9 31 31 A L E -df 8 121B 2 -24,-2.8 -22,-3.4 -2,-0.5 2,-0.4 -0.966 10.3-176.7-112.5 122.1 24.2 103.6 71.5 32 32 A E - 0 0 14 89,-3.0 92,-2.4 -2,-0.5 91,-0.4 -0.977 24.0-152.3-125.5 131.0 25.5 104.4 68.0 33 33 A R S S+ 0 0 133 -2,-0.4 -1,-0.1 90,-0.3 89,-0.1 0.873 80.0 50.0 -63.6 -40.2 29.1 104.9 66.9 34 34 A Q S S- 0 0 58 1,-0.1 89,-2.0 89,-0.1 90,-0.2 -0.111 90.9 -93.6 -91.6-173.4 28.4 107.2 64.0 35 35 A T > - 0 0 37 87,-0.2 4,-1.9 88,-0.1 3,-0.3 -0.647 36.9-107.4 -98.3 162.1 26.3 110.4 63.5 36 36 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.891 120.2 54.2 -54.6 -42.0 22.7 110.5 62.4 37 37 A D H > S+ 0 0 129 1,-0.2 4,-0.6 2,-0.2 -3,-0.0 0.884 105.2 51.7 -62.0 -42.0 23.8 111.8 59.0 38 38 A Y H >4 S+ 0 0 128 -3,-0.3 3,-0.9 1,-0.2 4,-0.4 0.914 110.0 49.4 -63.6 -42.9 26.3 109.0 58.4 39 39 A V H >< S+ 0 0 6 -4,-1.9 3,-1.4 1,-0.2 -2,-0.2 0.919 109.6 51.6 -62.4 -43.0 23.6 106.4 59.1 40 40 A L H 3< S+ 0 0 57 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.568 96.4 70.6 -72.1 -9.2 21.2 108.1 56.7 41 41 A G T << S+ 0 0 52 -3,-0.9 2,-0.3 -4,-0.6 -1,-0.3 0.674 76.1 99.0 -80.7 -17.6 23.8 108.1 54.0 42 42 A R < - 0 0 63 -3,-1.4 -3,-0.0 -4,-0.4 -4,-0.0 -0.562 49.9-174.0 -74.7 129.9 23.6 104.3 53.5 43 43 A I + 0 0 26 -2,-0.3 60,-0.6 59,-0.1 59,-0.4 0.951 32.8 131.9 -85.5 -65.8 21.4 103.2 50.6 44 44 A R + 0 0 121 58,-0.1 -1,-0.0 57,-0.1 59,-0.0 -0.096 51.1 23.2 54.6-139.3 21.3 99.4 50.9 45 45 A A + 0 0 31 1,-0.1 57,-2.7 56,-0.1 58,-0.4 -0.063 40.4 176.3 -62.8 160.5 18.0 97.3 50.7 46 46 A G + 0 0 7 55,-0.3 54,-1.5 1,-0.1 2,-0.5 0.432 53.6 84.8-144.2 -0.6 14.7 98.1 49.0 47 47 A V E -I 99 0C 12 52,-0.2 2,-0.4 249,-0.1 52,-0.2 -0.934 52.3-167.5-117.4 123.5 12.4 95.1 49.4 48 48 A L E -I 98 0C 0 50,-3.4 50,-2.8 -2,-0.5 2,-0.1 -0.881 14.8-137.2-111.4 135.0 10.3 94.4 52.4 49 49 A E E >> -I 97 0C 6 -2,-0.4 4,-2.1 48,-0.2 3,-0.5 -0.440 32.6-108.2 -77.9 160.8 8.4 91.2 53.3 50 50 A Q H 3> S+ 0 0 69 336,-0.6 4,-3.0 46,-0.5 5,-0.2 0.859 118.2 62.1 -60.5 -35.8 4.9 91.5 54.7 51 51 A G H 3> S+ 0 0 20 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 107.0 43.1 -57.6 -41.2 6.1 90.4 58.1 52 52 A M H <> S+ 0 0 2 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.903 111.3 54.7 -71.5 -41.4 8.4 93.5 58.3 53 53 A V H X S+ 0 0 15 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.953 111.1 45.9 -55.3 -47.4 5.6 95.7 56.9 54 54 A D H X S+ 0 0 57 -4,-3.0 4,-2.4 1,-0.2 -1,-0.2 0.859 109.9 54.3 -65.1 -34.8 3.3 94.5 59.7 55 55 A L H X S+ 0 0 3 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.875 107.3 50.6 -67.3 -36.4 6.1 95.0 62.2 56 56 A L H <>S+ 0 0 3 -4,-2.3 5,-2.7 2,-0.2 -2,-0.2 0.892 110.3 49.4 -67.7 -39.3 6.5 98.6 61.1 57 57 A R H ><5S+ 0 0 133 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.910 110.6 51.1 -64.7 -41.0 2.8 99.2 61.5 58 58 A E H 3<5S+ 0 0 69 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.850 107.2 51.9 -65.2 -36.4 3.0 97.7 64.9 59 59 A A T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.473 118.2-118.4 -77.0 -4.4 5.9 100.0 65.9 60 60 A G T < 5S+ 0 0 51 -3,-1.2 -3,-0.2 -4,-0.2 3,-0.2 0.694 83.4 114.3 74.3 27.0 3.6 102.8 64.7 61 61 A V < + 0 0 15 -5,-2.7 -4,-0.1 -6,-0.2 -3,-0.1 -0.485 38.5 98.7-126.0 60.9 5.9 103.9 61.9 62 62 A D > + 0 0 46 -5,-0.2 4,-3.3 -2,-0.2 5,-0.3 0.424 43.8 98.8-128.0 3.2 4.0 103.1 58.7 63 63 A R H > S+ 0 0 153 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.949 94.1 36.4 -58.3 -57.3 2.3 106.3 57.5 64 64 A R H > S+ 0 0 37 2,-0.2 4,-3.5 1,-0.2 5,-0.4 0.861 117.8 53.6 -65.4 -34.3 4.9 107.3 54.9 65 65 A M H > S+ 0 0 9 1,-0.2 4,-3.2 2,-0.2 -2,-0.2 0.967 108.6 47.8 -64.5 -48.6 5.4 103.6 54.0 66 66 A A H < S+ 0 0 80 -4,-3.3 -1,-0.2 1,-0.2 -2,-0.2 0.829 119.4 42.7 -60.0 -31.8 1.7 103.1 53.4 67 67 A R H < S+ 0 0 143 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.941 129.1 21.5 -79.5 -49.5 1.8 106.2 51.3 68 68 A D H < S+ 0 0 71 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.2 0.629 93.4 106.8 -97.7 -20.0 5.0 105.8 49.3 69 69 A G < - 0 0 18 -4,-3.2 2,-0.5 -5,-0.4 31,-0.2 -0.296 62.7-136.8 -62.4 148.0 5.7 102.1 49.4 70 70 A L E -J 99 0C 49 29,-2.5 29,-3.7 144,-0.1 2,-0.5 -0.941 9.8-144.0-109.7 123.4 5.1 100.2 46.2 71 71 A V E -J 98 0C 91 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.784 16.8-160.3 -88.6 123.9 3.4 96.9 46.5 72 72 A H E -J 97 0C 11 25,-3.0 25,-1.7 -2,-0.5 126,-0.1 -0.910 18.9-176.3-108.9 135.3 4.7 94.3 44.0 73 73 A E S S+ 0 0 89 -2,-0.4 16,-1.7 23,-0.2 15,-1.0 0.445 70.5 17.6-103.6 -6.5 2.8 91.2 42.9 74 74 A G E -K 87 0D 1 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.956 54.9-155.5-156.0 174.6 5.5 89.8 40.7 75 75 A V E -K 86 0D 7 11,-1.5 11,-3.4 -2,-0.3 2,-0.3 -0.963 19.6-131.8-154.3 149.4 9.1 89.7 39.7 76 76 A E E -Kl 85 200D 27 123,-2.9 125,-2.6 -2,-0.3 2,-0.4 -0.886 8.0-161.1-112.6 151.7 10.9 88.7 36.5 77 77 A I E -Kl 84 201D 5 7,-3.0 7,-3.0 -2,-0.3 2,-0.5 -0.998 10.6-163.0-129.4 120.7 13.9 86.5 35.7 78 78 A A E +Kl 83 202D 4 123,-2.7 125,-2.9 -2,-0.4 2,-0.3 -0.928 23.6 146.3-107.0 129.7 15.6 86.9 32.4 79 79 A F E > +K 82 0D 6 3,-2.2 3,-1.1 -2,-0.5 125,-0.1 -0.972 57.8 6.6-158.4 153.6 17.9 84.2 31.1 80 80 A A T 3 S- 0 0 55 123,-0.4 3,-0.1 -2,-0.3 124,-0.1 0.780 131.8 -45.7 39.1 48.1 19.0 82.7 27.8 81 81 A G T 3 S+ 0 0 87 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.829 119.6 92.3 71.8 33.4 17.1 85.2 25.6 82 82 A Q E < -K 79 0D 76 -3,-1.1 -3,-2.2 2,-0.0 2,-0.5 -0.995 60.5-140.2-156.3 154.7 13.8 85.1 27.6 83 83 A R E -K 78 0D 82 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.3 -0.981 17.9-169.5-119.1 127.1 11.9 86.9 30.4 84 84 A R E -K 77 0D 69 -7,-3.0 -7,-3.0 -2,-0.5 2,-0.4 -0.980 8.8-151.6-119.7 125.5 9.9 84.8 32.9 85 85 A R E -K 76 0D 105 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.3 -0.810 4.2-149.4 -98.3 133.7 7.6 86.5 35.4 86 86 A I E -K 75 0D 0 -11,-3.4 -11,-1.5 -2,-0.4 2,-1.3 -0.928 12.0-143.3-100.2 120.0 6.9 84.8 38.7 87 87 A D E > -K 74 0D 40 -2,-0.6 4,-2.6 -13,-0.2 -13,-0.2 -0.761 22.0-177.6 -83.9 94.7 3.4 85.7 39.8 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-2.1 -15,-1.0 7,-0.4 0.872 75.9 51.3 -62.9 -42.5 4.2 86.0 43.5 89 89 A K H >>S+ 0 0 76 -16,-1.7 5,-4.0 2,-0.2 4,-0.6 0.949 116.2 39.4 -63.1 -48.7 0.6 86.7 44.6 90 90 A R H >45S+ 0 0 132 -17,-0.3 3,-0.7 3,-0.2 -2,-0.2 0.951 120.5 44.5 -66.2 -49.3 -0.9 83.8 42.8 91 91 A L H 3<5S+ 0 0 26 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.728 115.0 46.3 -71.7 -22.3 1.9 81.4 43.6 92 92 A S H 3<5S- 0 0 13 -4,-2.1 -1,-0.2 3,-0.3 -2,-0.2 0.459 119.9 -99.8 -99.1 -2.0 2.2 82.3 47.2 93 93 A G T <<5S- 0 0 68 -3,-0.7 -3,-0.2 -4,-0.6 -2,-0.1 0.873 85.7 -39.0 86.7 37.7 -1.5 82.2 48.1 94 94 A G S - 0 0 1 113,-0.3 4,-2.3 -2,-0.3 -55,-0.3 -0.097 11.6-132.2 -51.7 143.9 14.0 101.9 50.7 102 102 A Q H > S+ 0 0 19 -57,-2.7 4,-2.7 -59,-0.4 5,-0.2 0.845 110.3 57.6 -62.8 -35.4 16.0 101.0 53.8 103 103 A T H > S+ 0 0 22 -60,-0.6 4,-2.1 -58,-0.4 -1,-0.2 0.922 108.5 46.9 -61.1 -40.9 17.1 104.6 54.0 104 104 A E H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.899 110.8 50.6 -66.8 -45.3 13.5 105.6 54.2 105 105 A V H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.929 111.8 48.7 -58.8 -45.2 12.6 103.1 56.8 106 106 A T H X S+ 0 0 6 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.882 111.1 49.6 -62.9 -41.1 15.6 104.2 58.9 107 107 A R H X S+ 0 0 72 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.882 109.8 51.5 -66.0 -40.6 14.6 107.9 58.6 108 108 A D H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.923 113.1 45.1 -62.8 -44.9 11.0 107.1 59.6 109 109 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.879 109.8 53.8 -66.1 -42.6 12.2 105.3 62.7 110 110 A M H X S+ 0 0 26 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.892 110.5 48.4 -60.4 -39.6 14.7 108.0 63.6 111 111 A E H X S+ 0 0 93 -4,-2.0 4,-2.7 2,-0.2 -2,-0.2 0.932 110.9 49.4 -64.4 -50.5 11.9 110.5 63.5 112 112 A A H X S+ 0 0 24 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.917 113.5 47.0 -56.2 -44.1 9.5 108.4 65.6 113 113 A R H X>S+ 0 0 3 -4,-2.6 5,-1.1 2,-0.2 4,-0.9 0.927 111.3 50.3 -65.7 -44.3 12.2 107.9 68.2 114 114 A E H ><5S+ 0 0 156 -4,-2.4 3,-0.8 1,-0.2 -2,-0.2 0.924 112.1 49.3 -58.9 -46.5 13.2 111.6 68.3 115 115 A A H 3<5S+ 0 0 81 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.845 109.1 49.9 -63.4 -38.8 9.5 112.5 68.8 116 116 A C H 3<5S- 0 0 49 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.606 106.6-125.5 -79.4 -10.2 8.8 110.1 71.6 117 117 A G T <<5 + 0 0 61 -4,-0.9 -3,-0.2 -3,-0.8 -2,-0.1 0.620 50.2 159.2 79.4 13.5 11.9 111.2 73.5 118 118 A A < - 0 0 18 -5,-1.1 2,-0.3 1,-0.1 -1,-0.2 -0.350 50.2 -91.8 -67.2 152.2 13.5 107.8 73.9 119 119 A T E +f 29 0B 66 -91,-0.6 -89,-2.0 2,-0.0 2,-0.4 -0.475 49.6 167.1 -73.0 125.5 17.3 107.9 74.7 120 120 A T E -f 30 0B 41 -2,-0.3 2,-0.6 -91,-0.2 -89,-0.2 -0.987 16.0-164.4-138.1 124.6 19.7 107.7 71.8 121 121 A V E -f 31 0B 19 -91,-3.2 -89,-3.0 -2,-0.4 3,-0.5 -0.935 9.4-167.4-113.1 105.4 23.4 108.5 72.1 122 122 A Y S S+ 0 0 51 -2,-0.6 -87,-0.2 1,-0.2 -89,-0.2 -0.496 71.6 30.7 -84.0 161.4 25.2 109.1 68.8 123 123 A Q S S+ 0 0 124 -89,-2.0 2,-1.0 -91,-0.4 21,-0.3 0.828 74.0 165.8 57.1 35.6 29.0 109.2 68.6 124 124 A A - 0 0 0 -92,-2.4 3,-0.4 -3,-0.5 -1,-0.2 -0.753 25.0-155.2 -82.6 105.4 29.2 106.7 71.5 125 125 A A E +B 142 0A 34 17,-2.5 17,-2.5 -2,-1.0 20,-0.1 -0.534 56.2 4.6 -90.3 156.5 32.8 105.7 71.1 126 126 A E E S- 0 0 85 15,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.835 76.8-162.0 40.6 53.0 34.7 102.6 72.1 127 127 A V E - 0 0 10 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.393 9.9-175.1 -62.7 132.0 31.6 100.7 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336 A I H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 5,-0.2 0.909 106.1 49.5 -55.3 -49.9 17.8 82.1 59.2 337 337 A W H X S+ 0 0 96 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.887 110.5 50.1 -61.7 -37.6 19.0 78.8 57.7 338 338 A K H X S+ 0 0 126 -4,-1.2 4,-1.9 -5,-0.2 -1,-0.2 0.905 113.2 46.1 -68.8 -36.4 16.0 78.6 55.4 339 339 A A H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.839 111.4 52.6 -73.1 -33.1 16.6 82.2 54.2 340 340 A E H X S+ 0 0 8 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.883 108.5 51.2 -66.5 -40.7 20.4 81.4 53.8 341 341 A R H X S+ 0 0 110 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.932 112.6 45.2 -62.7 -44.7 19.5 78.4 51.7 342 342 A F H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.911 113.2 48.7 -64.9 -47.0 17.2 80.4 49.4 343 343 A S H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.855 112.7 49.7 -61.1 -37.0 19.7 83.4 49.0 344 344 A W H X S+ 0 0 120 -4,-2.0 4,-3.0 2,-0.2 -2,-0.2 0.943 112.8 45.8 -67.0 -47.0 22.4 80.8 48.2 345 345 A W H X S+ 0 0 18 -4,-2.5 4,-2.0 2,-0.2 5,-0.2 0.938 112.8 50.4 -59.6 -51.2 20.3 79.1 45.6 346 346 A M H X S+ 0 0 3 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.939 113.4 47.2 -51.6 -49.7 19.2 82.5 44.1 347 347 A T H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 3,-0.2 0.936 110.3 50.7 -62.3 -46.6 22.9 83.5 43.9 348 348 A S H < S+ 0 0 31 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.815 113.7 43.8 -66.0 -29.6 24.1 80.3 42.4 349 349 A V H < S+ 0 0 4 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.740 118.4 41.4 -87.7 -21.7 21.5 80.3 39.6 350 350 A L H < S+ 0 0 0 -4,-1.6 -146,-0.3 -5,-0.2 2,-0.2 0.689 101.8 73.5 -98.4 -20.0 21.8 84.0 38.6 351 351 A H S < S- 0 0 0 -4,-1.9 2,-0.6 -5,-0.2 -148,-0.1 -0.638 73.7-124.6 -99.5 157.1 25.5 84.7 38.7 352 352 A R - 0 0 75 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.859 30.2-155.0 -97.1 117.3 28.4 83.8 36.5 353 353 A F - 0 0 65 -2,-0.6 3,-0.5 -5,-0.1 2,-0.1 -0.711 18.2-112.0 -95.0 144.1 31.1 82.0 38.5 354 354 A P S S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.448 96.4 18.5 -72.3 149.8 34.7 81.9 37.5 355 355 A D S S+ 0 0 167 1,-0.2 2,-0.5 -2,-0.1 -2,-0.0 0.931 80.7 163.1 58.6 51.7 36.2 78.5 36.4 356 356 A T - 0 0 43 -3,-0.5 -1,-0.2 3,-0.0 2,-0.1 -0.889 29.9-137.4-102.5 127.7 32.9 76.8 35.7 357 357 A D > - 0 0 94 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.330 28.2-100.2 -78.2 168.0 33.1 73.6 33.6 358 358 A A H > S+ 0 0 73 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.870 120.2 55.4 -54.6 -43.9 30.7 72.9 30.8 359 359 A F H > S+ 0 0 146 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.958 108.7 47.4 -57.0 -51.1 28.6 70.5 32.9 360 360 A S H > S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.833 109.5 52.7 -59.8 -38.5 27.9 73.1 35.6 361 361 A Q H X S+ 0 0 92 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.946 111.1 47.4 -64.3 -45.1 27.0 75.8 33.1 362 362 A R H X S+ 0 0 169 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.877 111.6 50.3 -62.2 -41.2 24.4 73.5 31.5 363 363 A I H X S+ 0 0 78 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.885 108.5 53.3 -64.8 -37.9 23.0 72.5 35.0 364 364 A Q H X S+ 0 0 28 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.883 111.4 45.5 -63.6 -40.4 22.7 76.2 35.9 365 365 A Q H X S+ 0 0 63 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.908 112.4 50.7 -69.5 -41.2 20.7 76.8 32.8 366 366 A T H X S+ 0 0 69 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.836 104.4 58.4 -65.7 -33.7 18.6 73.7 33.3 367 367 A E H X S+ 0 0 59 -4,-2.3 4,-2.7 2,-0.2 5,-0.3 0.934 109.5 45.1 -59.1 -47.6 17.9 74.8 37.0 368 368 A L H X S+ 0 0 2 -4,-1.5 4,-2.8 2,-0.2 5,-0.2 0.968 113.9 48.3 -61.0 -51.1 16.4 78.0 35.6 369 369 A E H X S+ 0 0 84 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.886 115.7 44.5 -57.8 -43.8 14.4 76.2 32.9 370 370 A Y H >X S+ 0 0 124 -4,-3.0 3,-1.0 2,-0.2 4,-1.0 0.980 117.0 42.2 -66.2 -56.2 13.0 73.7 35.3 371 371 A Y H 3< S+ 0 0 61 -4,-2.7 3,-0.3 1,-0.3 -2,-0.2 0.844 118.3 44.8 -61.8 -35.8 12.1 76.1 38.1 372 372 A L H 3< S+ 0 0 8 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.511 116.0 48.5 -85.9 -6.0 10.6 78.8 35.9 373 373 A G H << S+ 0 0 54 -3,-1.0 2,-0.4 -4,-0.6 -2,-0.2 0.490 98.3 73.2-111.7 -4.5 8.7 76.2 33.8 374 374 A S X - 0 0 25 -4,-1.0 4,-3.2 -3,-0.3 5,-0.3 -0.928 69.0-141.0-115.3 136.7 7.0 74.1 36.5 375 375 A E H > S+ 0 0 119 -2,-0.4 4,-1.8 1,-0.2 -1,-0.1 0.891 110.1 45.2 -57.2 -43.9 4.1 75.2 38.7 376 376 A A H > S+ 0 0 63 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.909 113.6 51.4 -67.1 -40.3 5.7 73.4 41.7 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.4 1,-0.2 3,-0.3 0.934 109.9 47.5 -61.9 -47.2 9.0 75.0 40.8 378 378 A L H X S+ 0 0 21 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.872 108.3 57.4 -61.3 -38.6 7.6 78.5 40.6 379 379 A A H X S+ 0 0 29 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.846 101.7 53.9 -61.6 -38.2 5.9 78.0 43.9 380 380 A T H X S+ 0 0 53 -4,-1.6 4,-1.0 -3,-0.3 -1,-0.2 0.883 112.9 44.4 -66.1 -35.9 9.1 77.2 45.7 381 381 A I H X S+ 0 0 6 -4,-1.4 4,-2.7 -10,-0.2 3,-0.2 0.968 115.0 47.7 -70.9 -52.3 10.6 80.5 44.4 382 382 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.902 110.6 48.6 -56.4 -50.3 7.5 82.5 45.2 383 383 A E H X S+ 0 0 99 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.828 116.6 44.2 -62.8 -31.9 6.9 81.3 48.8 384 384 A N H < S+ 0 0 17 -4,-1.0 4,-0.3 -5,-0.3 -1,-0.2 0.855 113.4 50.8 -78.8 -38.4 10.5 81.9 49.7 385 385 A Y H < S+ 0 0 9 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.880 110.9 45.7 -68.8 -40.5 10.6 85.2 48.0 386 386 A V H < S- 0 0 7 -4,-2.6 -336,-0.6 -5,-0.2 -1,-0.2 0.817 126.6-104.2 -71.7 -25.2 7.5 86.6 49.7 387 387 A G < - 0 0 10 -4,-0.8 -2,-0.1 -5,-0.3 -3,-0.1 0.183 25.6 -94.5 107.8 128.7 9.0 85.2 52.9 388 388 A L - 0 0 48 -4,-0.3 -4,-0.1 1,-0.1 -49,-0.0 -0.390 58.5 -86.0 -68.6 149.6 8.2 82.1 54.9 389 389 A P - 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.270 44.1-105.4 -60.6 142.9 5.8 82.8 57.9 390 390 A Y 0 0 72 1,-0.1 -86,-0.0 -3,-0.1 -3,-0.0 -0.345 360.0 360.0 -64.4 150.6 7.2 84.0 61.3 391 391 A E 0 0 142 -60,-0.1 -1,-0.1 -59,-0.0 -59,-0.0 0.846 360.0 360.0 -92.3 360.0 7.3 81.3 63.9