==== 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 22-NOV-95 1IUW . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.L.GATTI,B.ENTSCH,D.P.BALLOU,M.L.LUDWIG . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17434.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 72.3 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 17.5 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 . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 117 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 1 2 1 0 0 1 0 2 1 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 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 0 113 0, 0.0 150,-2.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 132.5 22.8 106.1 83.8 2 2 A K B +a 151 0A 150 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.986 360.0 158.7-144.2 149.5 20.3 103.2 83.7 3 3 A T - 0 0 11 148,-2.0 3,-0.2 -2,-0.3 25,-0.1 -0.875 42.2-116.0-152.4 180.0 17.8 101.7 81.3 4 4 A Q S S+ 0 0 52 23,-0.5 149,-2.6 1,-0.3 150,-1.7 0.898 99.5 22.5 -91.6 -54.3 16.0 98.3 80.8 5 5 A V E -de 28 154B 1 22,-2.0 24,-1.7 148,-0.2 2,-0.5 -0.944 67.8-155.9-120.6 120.0 17.3 97.4 77.4 6 6 A A E -de 29 155B 0 148,-2.5 150,-2.7 -2,-0.5 2,-0.5 -0.799 13.1-160.5 -90.4 129.0 20.6 98.8 75.9 7 7 A I E -de 30 156B 0 22,-3.1 24,-2.7 -2,-0.5 2,-0.7 -0.959 5.4-153.2-115.2 122.6 20.6 98.6 72.1 8 8 A I E +de 31 157B 7 148,-2.6 150,-2.0 -2,-0.5 24,-0.2 -0.874 65.5 29.4 -97.9 113.2 23.9 98.9 70.2 9 9 A G - 0 0 7 22,-3.3 23,-0.2 -2,-0.7 150,-0.1 0.340 58.0-140.6 110.7 123.8 23.4 100.3 66.7 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.242 64.2 113.6-107.0 42.9 20.9 102.7 65.2 11 11 A G S > S- 0 0 14 147,-0.5 4,-2.3 29,-0.0 5,-0.3 -0.271 93.4 -70.1 -91.5-168.3 20.4 101.0 61.9 12 12 A P H > S+ 0 0 18 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.879 132.6 52.0 -52.2 -45.3 17.0 99.5 61.0 13 13 A S H > S+ 0 0 17 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.946 112.6 41.3 -58.0 -58.7 17.3 96.7 63.5 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.914 117.5 47.3 -59.1 -44.8 18.1 98.8 66.6 15 15 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.893 112.9 48.4 -65.8 -41.2 15.6 101.5 65.7 16 16 A L H X S+ 0 0 6 -4,-2.5 4,-2.5 -5,-0.3 5,-0.2 0.934 114.2 45.7 -65.0 -45.2 12.8 99.0 65.0 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.2 5,-0.2 0.925 113.5 50.0 -62.0 -46.8 13.4 97.1 68.2 18 18 A G H X S+ 0 0 0 -4,-2.6 4,-2.9 -5,-0.2 -1,-0.2 0.902 111.5 48.6 -59.5 -41.3 13.7 100.3 70.2 19 19 A Q H X S+ 0 0 6 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.918 111.9 47.2 -66.5 -46.5 10.4 101.6 68.8 20 20 A L H X S+ 0 0 3 -4,-2.5 4,-1.1 1,-0.2 -2,-0.2 0.939 116.5 46.3 -61.3 -42.1 8.5 98.4 69.4 21 21 A L H <>S+ 0 0 0 -4,-2.7 5,-2.5 -5,-0.2 3,-0.3 0.903 110.0 51.2 -67.0 -44.2 9.9 98.3 73.0 22 22 A H H ><5S+ 0 0 54 -4,-2.9 3,-2.0 1,-0.2 -1,-0.2 0.950 107.7 53.5 -59.8 -46.6 9.2 101.9 73.8 23 23 A K H 3<5S+ 0 0 136 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.764 108.1 50.8 -58.0 -30.7 5.6 101.6 72.7 24 24 A A T 3<5S- 0 0 41 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.354 123.5-102.4 -89.1 2.6 5.1 98.6 75.0 25 25 A G T < 5S+ 0 0 55 -3,-2.0 2,-0.8 -4,-0.3 -3,-0.2 0.607 78.9 132.2 89.4 12.8 6.6 100.5 78.0 26 26 A I < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.869 53.7-133.9-103.2 109.0 10.0 98.9 78.1 27 27 A D + 0 0 92 -2,-0.8 -22,-2.0 -3,-0.1 -23,-0.5 -0.327 32.0 171.8 -62.4 143.4 12.6 101.6 78.4 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.988 23.2-150.6-153.8 150.1 15.6 101.4 76.1 29 29 A V E -df 6 119B 5 -24,-1.7 -22,-3.1 -2,-0.3 2,-0.4 -0.991 13.1-148.1-124.7 135.3 18.6 103.4 75.1 30 30 A I E -df 7 120B 0 89,-1.9 91,-2.9 -2,-0.4 2,-0.5 -0.880 6.4-161.4-105.6 133.5 20.3 103.2 71.7 31 31 A L E -df 8 121B 2 -24,-2.7 -22,-3.3 -2,-0.4 2,-0.4 -0.971 11.1-176.6-113.8 124.5 24.1 103.8 71.2 32 32 A E - 0 0 16 89,-2.6 92,-2.5 -2,-0.5 91,-0.5 -0.986 22.9-153.8-126.3 129.1 25.4 104.6 67.7 33 33 A R S S+ 0 0 153 -2,-0.4 -1,-0.1 90,-0.3 89,-0.0 0.872 79.1 50.3 -64.5 -40.7 29.0 105.0 66.7 34 34 A Q S S- 0 0 62 1,-0.1 89,-1.9 89,-0.1 90,-0.2 -0.108 91.1 -90.9 -91.2-170.9 28.2 107.3 63.7 35 35 A T > - 0 0 40 87,-0.2 4,-2.2 88,-0.1 5,-0.2 -0.633 35.0-109.7-100.0 159.8 26.1 110.4 63.1 36 36 A P H > S+ 0 0 41 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.901 121.1 53.0 -54.7 -38.6 22.5 110.5 62.0 37 37 A D H > S+ 0 0 131 2,-0.2 4,-0.9 1,-0.2 -3,-0.0 0.910 106.2 50.6 -65.6 -42.6 23.7 111.8 58.7 38 38 A Y H >4 S+ 0 0 128 1,-0.2 3,-1.1 2,-0.2 4,-0.4 0.948 110.8 48.5 -62.6 -47.7 26.2 108.9 58.1 39 39 A V H >< S+ 0 0 7 -4,-2.2 3,-1.4 1,-0.3 -1,-0.2 0.926 109.4 53.9 -58.5 -41.9 23.5 106.3 58.8 40 40 A L H 3< S+ 0 0 58 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.666 96.3 68.2 -69.0 -14.6 21.1 108.0 56.5 41 41 A G T << S+ 0 0 51 -3,-1.1 2,-0.6 -4,-0.9 -1,-0.3 0.617 74.3 100.6 -80.2 -12.6 23.6 107.9 53.6 42 42 A R < - 0 0 66 -3,-1.4 -3,-0.0 -4,-0.4 -4,-0.0 -0.650 51.5-171.6 -79.1 118.1 23.5 104.2 53.3 43 43 A I + 0 0 24 -2,-0.6 60,-0.6 1,-0.1 59,-0.5 0.976 36.0 128.7 -73.4 -58.7 21.3 103.2 50.3 44 44 A R + 0 0 128 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.020 48.6 43.6 43.3-126.5 21.1 99.4 50.7 45 45 A A + 0 0 24 1,-0.1 57,-2.7 56,-0.1 58,-0.3 -0.034 36.9 163.5 -56.5 148.2 17.7 97.6 50.7 46 46 A G + 0 0 8 55,-0.2 54,-1.9 1,-0.2 2,-0.5 0.560 59.2 72.7-131.7 -24.8 14.7 98.2 48.4 47 47 A V E -I 99 0C 14 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.854 56.1-171.6-108.0 124.7 12.5 95.1 48.9 48 48 A L E -I 98 0C 0 50,-3.2 50,-2.6 -2,-0.5 2,-0.1 -0.897 18.1-131.4-113.7 141.3 10.4 94.4 52.0 49 49 A E > - 0 0 4 -2,-0.4 4,-2.0 48,-0.2 3,-0.5 -0.447 29.5-110.8 -81.5 163.8 8.5 91.3 52.9 50 50 A Q H > S+ 0 0 55 336,-0.7 4,-2.4 46,-0.5 5,-0.2 0.844 119.1 60.3 -65.4 -31.8 4.9 91.5 54.1 51 51 A G H > S+ 0 0 22 335,-0.4 4,-1.5 1,-0.2 -1,-0.3 0.886 106.2 46.0 -62.5 -37.2 6.0 90.5 57.5 52 52 A M H > S+ 0 0 3 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.888 109.8 54.0 -71.1 -41.6 8.3 93.5 57.7 53 53 A V H X S+ 0 0 10 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.921 110.0 48.0 -59.3 -42.7 5.5 95.8 56.4 54 54 A D H X S+ 0 0 66 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.855 108.6 54.1 -67.2 -34.7 3.2 94.5 59.3 55 55 A L H X S+ 0 0 4 -4,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.883 106.6 51.3 -67.1 -39.1 5.9 95.0 61.9 56 56 A L H <>S+ 0 0 3 -4,-2.1 5,-2.7 2,-0.2 -1,-0.2 0.882 109.9 50.8 -66.1 -36.9 6.4 98.7 60.8 57 57 A R H ><5S+ 0 0 132 -4,-1.6 3,-1.4 3,-0.2 -2,-0.2 0.909 108.7 51.1 -66.2 -42.3 2.6 99.1 61.2 58 58 A E H 3<5S+ 0 0 83 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.875 108.3 51.4 -62.2 -37.4 2.7 97.6 64.7 59 59 A A T 3<5S- 0 0 1 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.452 116.3-122.2 -77.0 -3.8 5.5 100.0 65.6 60 60 A G T < 5S+ 0 0 48 -3,-1.4 3,-0.2 -5,-0.1 -3,-0.2 0.678 80.2 116.7 69.4 26.0 3.1 102.7 64.3 61 61 A V < + 0 0 16 -5,-2.7 -4,-0.2 -6,-0.2 4,-0.1 -0.404 38.5 98.5-119.9 55.8 5.7 103.9 61.7 62 62 A D > + 0 0 43 -5,-0.2 4,-2.9 -2,-0.2 5,-0.3 0.423 42.4 101.7-124.0 3.4 3.9 103.2 58.4 63 63 A R H > S+ 0 0 167 -3,-0.2 4,-1.6 1,-0.2 5,-0.1 0.956 91.8 36.8 -52.1 -62.4 2.2 106.4 57.3 64 64 A R H > S+ 0 0 60 1,-0.2 4,-3.5 2,-0.2 5,-0.4 0.854 116.8 53.7 -62.5 -36.4 4.8 107.4 54.6 65 65 A M H > S+ 0 0 9 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.920 107.5 49.6 -65.9 -43.0 5.4 103.8 53.6 66 66 A A H < S+ 0 0 78 -4,-2.9 -1,-0.2 2,-0.2 -2,-0.2 0.843 119.4 40.7 -64.4 -30.0 1.6 103.2 53.0 67 67 A R H < S+ 0 0 136 -4,-1.6 -2,-0.2 -5,-0.3 -1,-0.2 0.954 130.1 22.7 -80.7 -53.1 1.6 106.4 50.9 68 68 A D H < S+ 0 0 74 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.2 0.629 94.4 104.0 -92.5 -22.2 4.9 106.1 49.0 69 69 A G < - 0 0 16 -4,-2.6 2,-0.5 -5,-0.4 31,-0.2 -0.278 63.7-134.6 -62.9 152.4 5.7 102.4 49.0 70 70 A L E -J 99 0C 50 29,-2.1 29,-3.0 144,-0.1 2,-0.5 -0.955 11.2-144.8-111.7 122.8 5.1 100.4 45.8 71 71 A V E -J 98 0C 94 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.765 16.6-158.8 -89.1 127.2 3.4 97.0 46.1 72 72 A H E -J 97 0C 11 25,-2.9 25,-1.7 -2,-0.5 126,-0.1 -0.923 19.2-175.4-111.0 136.2 4.7 94.4 43.6 73 73 A E S S+ 0 0 90 -2,-0.4 16,-1.6 23,-0.2 15,-0.7 0.474 71.2 13.8-104.3 -8.0 2.8 91.3 42.5 74 74 A G E -K 87 0D 1 13,-0.2 125,-0.4 14,-0.2 2,-0.3 -0.963 55.5-151.8-157.0 172.6 5.5 89.8 40.4 75 75 A V E -K 86 0D 7 11,-1.3 11,-2.6 -2,-0.3 2,-0.3 -0.940 21.2-130.4-145.7 153.5 9.2 89.9 39.4 76 76 A E E -Kl 85 200D 26 123,-2.6 125,-2.9 -2,-0.3 2,-0.4 -0.892 9.7-161.5-114.1 149.3 10.9 88.9 36.2 77 77 A I E -Kl 84 201D 5 7,-2.4 7,-2.6 -2,-0.3 2,-0.4 -0.998 10.2-164.4-127.6 123.5 13.9 86.6 35.4 78 78 A A E +Kl 83 202D 4 123,-3.0 125,-2.9 -2,-0.4 2,-0.3 -0.923 20.3 149.6-111.1 134.5 15.7 87.0 32.1 79 79 A F E > +K 82 0D 5 3,-2.3 3,-1.3 -2,-0.4 125,-0.1 -0.971 60.2 6.1-160.6 147.7 18.0 84.3 30.8 80 80 A A T 3 S- 0 0 64 123,-0.5 124,-0.1 -2,-0.3 3,-0.1 0.840 130.7 -49.4 44.7 48.8 19.1 83.0 27.4 81 81 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.779 117.7 97.5 67.7 29.8 17.2 85.6 25.5 82 82 A Q E < -K 79 0D 71 -3,-1.3 -3,-2.3 2,-0.0 2,-0.4 -0.995 58.4-143.4-150.3 148.6 13.8 85.2 27.2 83 83 A R E -K 78 0D 78 -2,-0.3 2,-0.5 -5,-0.2 -5,-0.2 -0.955 16.1-170.6-113.7 130.0 11.9 86.9 30.1 84 84 A R E -K 77 0D 85 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.4 -0.987 11.4-146.4-125.4 125.9 9.8 84.9 32.5 85 85 A R E -K 76 0D 104 -2,-0.5 2,-0.7 -9,-0.2 -9,-0.2 -0.780 2.0-152.4 -94.8 132.8 7.5 86.5 35.0 86 86 A I E -K 75 0D 2 -11,-2.6 2,-1.5 -2,-0.4 -11,-1.3 -0.916 13.3-143.8-102.0 112.5 6.9 84.9 38.4 87 87 A D E > -K 74 0D 40 -2,-0.7 4,-2.6 1,-0.2 5,-0.3 -0.676 20.7-177.0 -78.9 93.4 3.4 85.8 39.6 88 88 A L H > S+ 0 0 0 -2,-1.5 4,-2.4 -15,-0.7 7,-0.4 0.917 77.8 48.4 -57.8 -48.6 4.2 86.1 43.3 89 89 A K H >>S+ 0 0 82 -16,-1.6 5,-3.6 2,-0.2 4,-0.5 0.928 116.3 41.6 -59.8 -50.1 0.6 86.9 44.4 90 90 A R H >45S+ 0 0 143 -17,-0.3 3,-0.9 3,-0.2 -2,-0.2 0.976 121.3 41.6 -62.6 -54.1 -0.9 84.0 42.4 91 91 A L H 3<5S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.709 114.5 48.9 -70.2 -25.5 1.8 81.5 43.3 92 92 A S H 3<5S- 0 0 17 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.462 119.4-101.5 -95.0 0.3 2.3 82.4 47.0 93 93 A G T <<5S- 0 0 72 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.807 85.8 -38.2 86.6 27.4 -1.4 82.3 47.8 94 94 A G S - 0 0 1 113,-0.3 4,-2.1 -2,-0.3 -55,-0.2 -0.140 12.9-130.1 -54.3 146.8 14.0 102.1 50.4 102 102 A Q H > S+ 0 0 17 -57,-2.7 4,-2.5 -59,-0.5 5,-0.2 0.843 109.9 60.4 -65.0 -32.7 15.9 101.3 53.5 103 103 A T H > S+ 0 0 20 -60,-0.6 4,-2.0 -58,-0.3 -1,-0.2 0.929 107.8 45.4 -59.1 -43.5 17.0 104.9 53.7 104 104 A E H > S+ 0 0 50 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.904 111.2 50.5 -66.5 -47.0 13.3 105.9 54.0 105 105 A V H X S+ 0 0 4 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.903 113.1 47.5 -58.5 -41.5 12.4 103.2 56.5 106 106 A T H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.882 110.7 51.6 -68.1 -37.7 15.4 104.4 58.7 107 107 A R H X S+ 0 0 66 -4,-2.0 4,-2.1 -5,-0.2 -2,-0.2 0.911 109.7 50.4 -63.2 -44.2 14.3 108.0 58.3 108 108 A D H X S+ 0 0 9 -4,-2.6 4,-2.1 1,-0.2 -2,-0.2 0.886 112.4 45.8 -61.9 -44.7 10.8 107.2 59.4 109 109 A L H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.879 110.6 53.2 -66.9 -41.2 12.0 105.3 62.5 110 110 A M H X S+ 0 0 28 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.907 111.9 45.2 -60.9 -43.6 14.4 108.1 63.4 111 111 A E H X S+ 0 0 87 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.903 113.0 51.1 -65.5 -42.7 11.7 110.7 63.3 112 112 A A H X S+ 0 0 22 -4,-2.1 4,-1.4 1,-0.2 -2,-0.2 0.902 110.7 48.6 -62.1 -42.6 9.3 108.4 65.2 113 113 A R H X>S+ 0 0 4 -4,-2.7 5,-1.4 2,-0.2 4,-0.7 0.914 110.6 50.7 -65.7 -42.8 11.9 107.9 67.9 114 114 A E H ><5S+ 0 0 162 -4,-2.1 3,-1.2 1,-0.2 -2,-0.2 0.934 107.5 52.9 -60.2 -48.4 12.6 111.6 68.3 115 115 A A H 3<5S+ 0 0 89 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.835 109.0 49.6 -56.7 -37.3 9.0 112.5 68.6 116 116 A C H 3<5S- 0 0 63 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.609 108.1-127.9 -78.2 -14.2 8.5 110.0 71.5 117 117 A G T <<5 + 0 0 62 -3,-1.2 -3,-0.2 -4,-0.7 -2,-0.1 0.712 49.0 159.8 75.8 21.9 11.6 111.4 73.2 118 118 A A < - 0 0 18 -5,-1.4 2,-0.3 1,-0.1 -1,-0.2 -0.402 47.6 -91.6 -75.0 155.5 13.3 108.0 73.7 119 119 A T E +f 29 0B 65 -91,-0.6 -89,-1.9 -2,-0.1 2,-0.4 -0.511 47.4 166.6 -75.4 130.1 17.1 108.1 74.3 120 120 A T E -f 30 0B 42 -2,-0.3 2,-0.7 -91,-0.2 -89,-0.2 -0.973 16.7-162.9-142.6 120.0 19.6 107.9 71.4 121 121 A V E > -f 31 0B 15 -91,-2.9 -89,-2.6 -2,-0.4 3,-0.5 -0.898 11.4-166.3-106.7 102.4 23.3 108.7 71.8 122 122 A Y T 3 S+ 0 0 43 -2,-0.7 -87,-0.2 1,-0.2 -89,-0.2 -0.453 72.2 29.0 -82.4 161.1 25.0 109.3 68.5 123 123 A Q T 3 S+ 0 0 125 -89,-1.9 2,-1.1 -91,-0.5 21,-0.3 0.851 75.2 169.1 55.5 37.5 28.8 109.3 68.2 124 124 A A < - 0 0 1 -92,-2.5 3,-0.4 -3,-0.5 -1,-0.2 -0.735 25.1-150.5 -80.8 103.1 29.0 106.9 71.1 125 125 A A E -B 142 0A 35 17,-2.7 17,-2.7 -2,-1.1 -91,-0.0 -0.475 57.3 -0.1 -84.3 150.5 32.6 106.1 70.8 126 126 A E E S- 0 0 85 15,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.829 74.5-160.1 40.5 60.9 34.3 102.9 71.8 127 127 A V E - 0 0 13 -3,-0.4 2,-0.3 14,-0.1 14,-0.2 -0.424 10.6-173.8 -67.4 131.1 31.4 100.9 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-4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.928 105.3 49.3 -59.9 -49.0 17.6 82.2 59.0 337 337 A W H X S+ 0 0 98 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.894 110.7 49.1 -63.3 -37.5 18.8 78.9 57.5 338 338 A K H X S+ 0 0 119 -4,-1.3 4,-2.2 -5,-0.3 -1,-0.2 0.900 113.4 47.1 -69.3 -36.1 15.9 78.6 55.1 339 339 A A H X S+ 0 0 9 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.862 111.4 51.4 -70.5 -36.9 16.4 82.2 53.9 340 340 A E H X S+ 0 0 9 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.905 109.5 50.6 -63.4 -43.7 20.2 81.6 53.6 341 341 A R H X S+ 0 0 110 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.944 112.5 46.5 -60.0 -45.8 19.4 78.5 51.5 342 342 A F H X S+ 0 0 2 -4,-2.2 4,-2.6 1,-0.2 5,-0.2 0.936 113.0 48.1 -63.0 -45.3 17.1 80.5 49.3 343 343 A S H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.848 112.3 50.2 -64.0 -34.2 19.6 83.4 48.9 344 344 A W H X S+ 0 0 114 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.930 111.0 48.8 -69.2 -44.5 22.4 80.9 48.1 345 345 A W H X S+ 0 0 19 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.927 111.8 48.2 -61.1 -47.7 20.2 79.2 45.4 346 346 A M H X S+ 0 0 3 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.915 112.9 49.7 -58.6 -44.1 19.3 82.6 43.8 347 347 A T H X S+ 0 0 0 -4,-1.9 4,-1.7 -5,-0.2 -2,-0.2 0.933 110.4 49.2 -62.0 -46.7 22.9 83.6 43.8 348 348 A S H < S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.810 114.3 43.4 -68.5 -27.7 24.1 80.4 42.2 349 349 A V H < S+ 0 0 4 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.722 118.3 42.2 -90.4 -18.6 21.6 80.3 39.4 350 350 A L H < S+ 0 0 0 -4,-1.5 -146,-0.3 -5,-0.2 2,-0.2 0.692 101.7 70.1 -99.1 -23.0 21.8 84.0 38.4 351 351 A H S < S- 0 0 0 -4,-1.7 2,-0.6 -5,-0.2 -148,-0.1 -0.592 76.2-120.7 -98.3 159.5 25.5 84.8 38.5 352 352 A R - 0 0 62 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.876 29.1-152.7-100.1 121.2 28.4 83.8 36.3 353 353 A F - 0 0 65 -2,-0.6 3,-0.4 -5,-0.1 2,-0.1 -0.720 20.0-109.7 -93.6 142.1 31.0 82.0 38.3 354 354 A P S S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.392 96.3 13.0 -68.5 153.0 34.7 82.0 37.2 355 355 A D S S+ 0 0 160 1,-0.2 2,-0.5 -2,-0.1 0, 0.0 0.919 82.1 167.9 43.4 61.8 36.2 78.7 35.9 356 356 A T - 0 0 44 -3,-0.4 -1,-0.2 3,-0.0 2,-0.1 -0.891 29.0-132.7-103.2 126.9 32.9 76.9 35.4 357 357 A D > - 0 0 101 -2,-0.5 4,-1.8 1,-0.1 5,-0.2 -0.364 26.6-103.0 -76.3 163.3 33.0 73.6 33.4 358 358 A A H > S+ 0 0 79 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.834 118.8 56.2 -53.5 -40.8 30.6 72.9 30.6 359 359 A F H > S+ 0 0 149 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.970 108.6 46.2 -58.4 -53.8 28.5 70.5 32.7 360 360 A S H > S+ 0 0 59 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.834 109.7 53.6 -57.3 -40.3 27.9 73.1 35.5 361 361 A Q H X S+ 0 0 86 -4,-1.8 4,-2.1 2,-0.2 -1,-0.2 0.892 111.3 46.5 -61.6 -43.0 26.9 75.9 33.0 362 362 A R H X S+ 0 0 168 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.855 111.3 50.9 -67.9 -37.4 24.3 73.5 31.4 363 363 A I H X S+ 0 0 78 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.913 108.9 53.2 -66.5 -37.3 23.0 72.5 34.8 364 364 A Q H X S+ 0 0 25 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.939 111.3 44.8 -60.6 -48.3 22.7 76.2 35.7 365 365 A Q H X S+ 0 0 66 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.908 112.7 51.1 -62.9 -41.6 20.7 76.9 32.6 366 366 A T H X S+ 0 0 70 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.807 103.9 58.8 -67.3 -31.3 18.5 73.8 33.2 367 367 A E H X S+ 0 0 57 -4,-2.2 4,-2.6 2,-0.2 5,-0.3 0.931 110.3 43.8 -61.3 -45.8 17.8 74.9 36.8 368 368 A L H X S+ 0 0 2 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.959 113.3 50.3 -64.4 -48.4 16.3 78.1 35.4 369 369 A E H X S+ 0 0 85 -4,-2.6 4,-0.6 1,-0.2 -2,-0.2 0.898 115.7 43.5 -57.9 -41.0 14.4 76.3 32.7 370 370 A Y H >X S+ 0 0 123 -4,-2.8 4,-1.1 2,-0.2 3,-1.0 0.978 116.6 41.9 -70.3 -57.6 13.0 73.8 35.2 371 371 A Y H 3< S+ 0 0 60 -4,-2.6 10,-0.2 1,-0.2 -2,-0.2 0.818 117.8 48.0 -62.0 -29.7 12.0 76.2 38.0 372 372 A L H 3< S+ 0 0 4 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.567 116.1 43.3 -86.6 -9.6 10.6 78.8 35.6 373 373 A G H << S+ 0 0 51 -3,-1.0 2,-0.4 -4,-0.6 -2,-0.2 0.466 99.1 76.3-114.6 -2.9 8.6 76.4 33.6 374 374 A S X - 0 0 28 -4,-1.1 4,-3.1 -3,-0.2 5,-0.2 -0.923 69.7-140.4-111.4 138.7 7.0 74.2 36.3 375 375 A E H > S+ 0 0 106 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.863 108.8 46.0 -62.3 -37.8 4.1 75.3 38.4 376 376 A A H > S+ 0 0 62 2,-0.2 4,-1.4 1,-0.1 -1,-0.2 0.862 112.8 50.3 -71.9 -36.7 5.6 73.5 41.4 377 377 A G H >> S+ 0 0 1 -7,-0.2 4,-1.6 2,-0.2 3,-0.5 0.950 110.0 49.7 -65.0 -47.7 9.1 75.1 40.6 378 378 A L H 3X S+ 0 0 20 -4,-3.1 4,-2.7 1,-0.2 -1,-0.2 0.875 108.1 55.1 -58.4 -40.3 7.6 78.6 40.3 379 379 A A H 3X S+ 0 0 29 -4,-1.6 4,-2.4 -5,-0.2 5,-0.2 0.823 102.9 54.7 -64.5 -33.8 5.8 78.1 43.6 380 380 A T H