==== 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 1IUU . 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) . 17354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 72.8 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 . 70 17.8 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 . 22 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 30.5 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 0 2 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 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 0 110 0, 0.0 150,-2.8 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 134.0 22.8 106.2 83.4 2 2 A K B +a 151 0A 138 148,-0.2 2,-0.2 136,-0.0 150,-0.2 -0.997 360.0 155.3-141.6 144.4 20.3 103.3 83.5 3 3 A T - 0 0 12 148,-2.5 3,-0.2 -2,-0.3 25,-0.1 -0.813 43.3-116.7-147.0-177.5 17.8 101.7 81.2 4 4 A Q S S+ 0 0 50 23,-0.5 149,-2.6 1,-0.3 150,-1.7 0.871 99.3 22.0 -93.7 -53.7 16.1 98.4 80.7 5 5 A V E -de 28 154B 0 22,-1.9 24,-1.7 148,-0.2 2,-0.4 -0.954 68.8-155.1-122.6 119.2 17.4 97.3 77.2 6 6 A A E -de 29 155B 0 148,-2.5 150,-2.7 -2,-0.5 2,-0.5 -0.764 12.3-161.0 -89.1 132.6 20.6 98.7 75.8 7 7 A I E -de 30 156B 0 22,-3.1 24,-3.1 -2,-0.4 2,-0.7 -0.965 6.2-155.3-120.8 122.1 20.7 98.7 72.0 8 8 A I E +de 31 157B 7 148,-2.3 150,-2.0 -2,-0.5 24,-0.2 -0.884 65.8 32.9 -97.6 114.3 24.0 98.9 70.1 9 9 A G - 0 0 7 22,-3.7 23,-0.2 -2,-0.7 150,-0.1 0.278 56.9-144.1 111.6 125.4 23.4 100.3 66.6 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.171 63.2 113.2-110.3 37.0 21.0 102.7 65.1 11 11 A G S > S- 0 0 15 147,-0.5 4,-2.2 29,-0.0 5,-0.3 -0.199 94.0 -71.1 -87.7-165.9 20.5 101.0 61.7 12 12 A P H > S+ 0 0 19 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.881 131.7 53.6 -58.9 -38.9 17.1 99.5 60.9 13 13 A S H > S+ 0 0 16 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.949 112.7 41.8 -58.3 -56.8 17.4 96.6 63.4 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.6 1,-0.2 -1,-0.2 0.911 117.6 46.6 -59.7 -45.5 18.2 98.8 66.4 15 15 A L H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.909 113.9 47.6 -64.7 -44.3 15.6 101.5 65.5 16 16 A L H X S+ 0 0 4 -4,-2.8 4,-2.4 -5,-0.3 5,-0.2 0.943 115.1 45.0 -62.7 -46.3 12.8 99.0 64.8 17 17 A L H X S+ 0 0 0 -4,-2.5 4,-2.5 -5,-0.3 -2,-0.2 0.914 113.4 51.2 -61.9 -45.5 13.5 97.0 68.0 18 18 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.863 110.7 48.6 -61.4 -35.1 13.8 100.2 70.0 19 19 A Q H X S+ 0 0 6 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.918 111.6 47.7 -71.8 -44.8 10.4 101.5 68.6 20 20 A L H X S+ 0 0 2 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.919 115.1 47.2 -60.7 -44.4 8.6 98.3 69.3 21 21 A L H ><>S+ 0 0 0 -4,-2.5 5,-2.5 -5,-0.2 3,-0.6 0.907 110.6 50.5 -65.5 -43.4 10.0 98.3 72.8 22 22 A H H ><5S+ 0 0 58 -4,-2.3 3,-2.0 1,-0.2 -2,-0.2 0.953 106.9 54.3 -60.7 -48.6 9.2 101.9 73.5 23 23 A K H 3<5S+ 0 0 137 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.686 109.4 49.2 -58.3 -22.0 5.6 101.5 72.4 24 24 A A T <<5S- 0 0 44 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.372 122.7-101.4 -98.5 -0.2 5.1 98.6 74.9 25 25 A G T < 5S+ 0 0 53 -3,-2.0 2,-0.8 -4,-0.3 -3,-0.2 0.546 79.0 131.4 94.2 8.6 6.6 100.4 77.8 26 26 A I < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.2 -0.844 53.8-134.9-100.1 107.9 10.1 98.9 77.9 27 27 A D + 0 0 91 -2,-0.8 -22,-1.9 -3,-0.1 -23,-0.5 -0.357 31.0 173.7 -62.0 144.7 12.7 101.6 78.2 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.993 22.6-151.6-154.0 148.1 15.6 101.3 75.9 29 29 A V E -df 6 119B 6 -24,-1.7 -22,-3.1 -2,-0.3 2,-0.4 -0.969 12.9-148.8-121.9 138.3 18.7 103.4 74.9 30 30 A I E -df 7 120B 0 89,-1.6 91,-3.1 -2,-0.4 2,-0.5 -0.923 6.4-162.3-109.2 132.7 20.4 103.1 71.5 31 31 A L E -df 8 121B 1 -24,-3.1 -22,-3.7 -2,-0.4 2,-0.4 -0.965 11.1-176.3-112.4 127.9 24.1 103.7 71.1 32 32 A E - 0 0 15 89,-2.6 92,-2.3 -2,-0.5 91,-0.4 -0.993 24.1-152.3-129.4 131.2 25.4 104.5 67.6 33 33 A R S S+ 0 0 146 -2,-0.4 -1,-0.1 90,-0.2 89,-0.0 0.869 79.7 52.3 -64.4 -41.7 29.1 105.0 66.5 34 34 A Q S S- 0 0 58 89,-0.1 89,-1.8 1,-0.1 90,-0.2 -0.103 89.8 -95.1 -89.2-175.0 28.2 107.3 63.6 35 35 A T > - 0 0 42 87,-0.2 4,-2.1 88,-0.1 3,-0.4 -0.671 37.0-107.2 -98.1 160.6 26.2 110.4 63.0 36 36 A P H > S+ 0 0 42 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.890 120.4 52.8 -53.4 -41.9 22.6 110.5 61.9 37 37 A D H > S+ 0 0 131 2,-0.2 4,-0.6 1,-0.2 -3,-0.0 0.871 105.9 51.4 -64.7 -39.5 23.7 111.8 58.5 38 38 A Y H >> S+ 0 0 129 -3,-0.4 3,-1.6 2,-0.2 4,-0.5 0.971 111.5 47.9 -62.5 -50.6 26.2 109.0 57.9 39 39 A V H >< S+ 0 0 7 -4,-2.1 3,-1.3 1,-0.3 -2,-0.2 0.904 109.6 53.2 -56.5 -42.1 23.6 106.3 58.7 40 40 A L H 3< S+ 0 0 51 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.607 97.3 69.2 -71.2 -10.3 21.1 108.0 56.4 41 41 A G H << S+ 0 0 49 -3,-1.6 2,-0.4 -4,-0.6 -1,-0.2 0.672 73.4 99.0 -81.8 -17.4 23.7 107.9 53.6 42 42 A R << - 0 0 65 -3,-1.3 -3,-0.0 -4,-0.5 -4,-0.0 -0.585 51.2-171.2 -74.5 122.8 23.6 104.1 53.1 43 43 A I + 0 0 23 -2,-0.4 60,-0.6 59,-0.1 59,-0.5 0.975 35.9 129.6 -76.9 -61.9 21.4 103.2 50.2 44 44 A R + 0 0 125 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.040 48.7 40.0 48.2-129.4 21.2 99.4 50.5 45 45 A A + 0 0 25 1,-0.1 57,-2.8 56,-0.1 58,-0.4 0.000 37.2 166.0 -57.7 152.0 17.8 97.5 50.5 46 46 A G + 0 0 8 55,-0.3 54,-1.8 1,-0.2 2,-0.5 0.526 58.1 75.6-134.8 -20.9 14.8 98.2 48.3 47 47 A V E -I 99 0C 15 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.863 54.4-172.4-109.1 125.3 12.6 95.1 48.7 48 48 A L E -I 98 0C 0 50,-3.3 50,-2.7 -2,-0.5 2,-0.1 -0.908 17.9-132.8-116.3 138.5 10.5 94.3 51.8 49 49 A E E >> -I 97 0C 5 -2,-0.4 4,-1.9 48,-0.2 3,-0.7 -0.429 31.6-107.7 -79.3 165.5 8.5 91.2 52.7 50 50 A Q H 3> S+ 0 0 60 336,-0.7 4,-2.2 46,-0.5 5,-0.2 0.852 119.6 59.8 -63.8 -33.4 4.9 91.4 53.9 51 51 A G H 3> S+ 0 0 23 335,-0.4 4,-1.3 1,-0.2 -1,-0.3 0.848 105.5 46.5 -63.6 -34.5 6.1 90.5 57.4 52 52 A M H <> S+ 0 0 3 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.875 109.4 54.8 -74.6 -36.7 8.4 93.5 57.6 53 53 A V H X S+ 0 0 11 -4,-1.9 4,-1.5 1,-0.2 -2,-0.2 0.910 109.5 47.9 -63.4 -39.0 5.6 95.7 56.3 54 54 A D H X S+ 0 0 66 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.820 108.6 53.6 -71.2 -32.3 3.3 94.5 59.2 55 55 A L H X S+ 0 0 3 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.891 105.9 52.7 -69.4 -38.9 6.0 95.0 61.7 56 56 A L H <>S+ 0 0 2 -4,-2.1 5,-2.5 1,-0.2 -2,-0.2 0.897 110.0 49.4 -63.6 -38.1 6.4 98.6 60.6 57 57 A R H ><5S+ 0 0 132 -4,-1.5 3,-1.6 1,-0.2 -2,-0.2 0.922 108.3 52.4 -65.7 -43.5 2.7 99.1 61.1 58 58 A E H 3<5S+ 0 0 79 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.843 108.5 50.9 -61.9 -32.3 2.8 97.5 64.5 59 59 A A T 3<5S- 0 0 1 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.485 116.0-121.4 -81.8 -5.3 5.6 100.0 65.4 60 60 A G T < 5S+ 0 0 48 -3,-1.6 3,-0.3 -4,-0.2 -3,-0.2 0.673 81.6 114.4 73.7 22.4 3.3 102.8 64.1 61 61 A V < + 0 0 15 -5,-2.5 4,-0.2 -6,-0.2 -4,-0.2 -0.378 39.3 99.2-119.5 54.9 5.7 103.9 61.5 62 62 A D > + 0 0 43 -5,-0.2 4,-2.8 2,-0.1 5,-0.3 0.456 45.1 98.6-120.0 0.5 3.9 103.1 58.3 63 63 A R H > S+ 0 0 164 -3,-0.3 4,-1.5 1,-0.2 5,-0.1 0.956 92.4 37.7 -53.3 -60.3 2.3 106.3 57.1 64 64 A R H > S+ 0 0 61 1,-0.2 4,-3.2 2,-0.2 5,-0.4 0.880 116.1 54.0 -63.0 -36.3 4.9 107.3 54.6 65 65 A M H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.902 106.4 50.9 -66.0 -38.8 5.4 103.7 53.5 66 66 A A H < S+ 0 0 79 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.846 118.2 40.8 -67.7 -27.4 1.7 103.2 52.8 67 67 A R H < S+ 0 0 138 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.956 129.4 23.4 -82.7 -51.9 1.8 106.4 50.7 68 68 A D H < S+ 0 0 66 -4,-3.2 -3,-0.2 -5,-0.1 -2,-0.2 0.584 94.1 103.4 -93.4 -20.1 5.1 106.0 48.8 69 69 A G < - 0 0 15 -4,-2.3 2,-0.5 -5,-0.4 31,-0.2 -0.410 63.3-136.2 -68.0 146.5 5.8 102.3 48.8 70 70 A L E -J 99 0C 50 29,-2.2 29,-2.9 144,-0.1 2,-0.5 -0.914 11.0-143.8-105.6 124.7 5.2 100.3 45.6 71 71 A V E -J 98 0C 90 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.787 16.5-158.5 -90.5 124.7 3.4 96.9 46.0 72 72 A H E -J 97 0C 11 25,-3.2 25,-1.7 -2,-0.5 126,-0.1 -0.908 19.6-177.9-107.8 132.8 4.8 94.4 43.5 73 73 A E S S+ 0 0 88 -2,-0.4 16,-1.6 23,-0.2 15,-0.8 0.431 70.9 15.6-104.4 -3.6 2.8 91.3 42.5 74 74 A G E -K 87 0D 1 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.957 55.5-154.6-157.8 176.4 5.5 89.8 40.2 75 75 A V E -K 86 0D 6 11,-1.4 11,-2.8 -2,-0.3 2,-0.3 -0.956 19.4-130.5-155.8 149.5 9.2 89.8 39.2 76 76 A E E -Kl 85 200D 20 123,-2.7 125,-2.6 -2,-0.3 2,-0.4 -0.873 9.5-162.5-110.4 151.2 10.9 88.8 35.9 77 77 A I E -Kl 84 201D 6 7,-2.4 7,-2.6 -2,-0.3 2,-0.4 -1.000 11.1-162.8-130.9 122.9 13.9 86.6 35.3 78 78 A A E +Kl 83 202D 4 123,-3.0 125,-3.2 -2,-0.4 2,-0.3 -0.920 21.7 147.5-111.2 133.7 15.7 86.9 32.0 79 79 A F E > +K 82 0D 5 3,-2.2 3,-1.1 -2,-0.4 125,-0.1 -0.963 60.0 6.7-161.2 149.0 18.1 84.3 30.7 80 80 A A T 3 S- 0 0 61 123,-0.4 124,-0.1 -2,-0.3 3,-0.1 0.836 129.4 -49.3 42.7 53.1 19.1 82.9 27.3 81 81 A G T 3 S+ 0 0 86 1,-0.2 2,-0.3 -3,-0.0 -1,-0.3 0.802 118.3 94.4 63.0 33.2 17.2 85.4 25.3 82 82 A Q E < -K 79 0D 70 -3,-1.1 -3,-2.2 2,-0.0 2,-0.4 -0.991 59.0-143.9-153.3 150.5 13.8 85.1 27.1 83 83 A R E -K 78 0D 76 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.974 14.9-168.6-118.4 131.6 12.0 86.8 29.9 84 84 A R E -K 77 0D 77 -7,-2.6 -7,-2.4 -2,-0.4 2,-0.5 -0.981 10.4-147.5-123.8 130.7 9.8 84.9 32.4 85 85 A R E -K 76 0D 109 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.858 3.4-153.4-100.3 128.4 7.5 86.5 34.8 86 86 A I E -K 75 0D 1 -11,-2.8 -11,-1.4 -2,-0.5 2,-1.3 -0.903 12.4-144.6 -98.4 116.1 6.9 84.9 38.2 87 87 A D E > -K 74 0D 42 -2,-0.6 4,-2.5 -13,-0.2 -13,-0.2 -0.738 19.9-177.1 -83.1 94.2 3.4 85.9 39.4 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-2.2 -15,-0.8 7,-0.4 0.922 77.4 51.9 -58.2 -48.6 4.2 86.1 43.1 89 89 A K H 4>S+ 0 0 82 -16,-1.6 5,-3.9 2,-0.2 4,-0.5 0.927 115.6 39.4 -56.3 -50.6 0.7 86.9 44.2 90 90 A R H >45S+ 0 0 143 -17,-0.3 3,-1.0 3,-0.2 -2,-0.2 0.971 119.9 44.4 -65.7 -53.0 -0.9 84.0 42.3 91 91 A L H 3<5S+ 0 0 26 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.672 115.3 45.9 -69.4 -22.5 1.8 81.4 43.1 92 92 A S T 3<5S- 0 0 24 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.431 118.8-102.8-100.5 0.4 2.2 82.2 46.8 93 93 A G T < 5S- 0 0 69 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.883 85.5 -34.7 83.8 35.8 -1.5 82.3 47.5 94 94 A G S - 0 0 1 113,-0.3 4,-2.1 -2,-0.3 3,-0.3 -0.139 13.0-127.8 -54.9 148.2 14.1 102.0 50.2 102 102 A Q H > S+ 0 0 18 -57,-2.8 4,-2.6 -59,-0.5 5,-0.2 0.847 111.1 59.6 -61.6 -35.9 16.0 101.1 53.4 103 103 A T H > S+ 0 0 23 -60,-0.6 4,-1.9 -58,-0.4 -1,-0.2 0.909 107.4 46.2 -58.9 -42.5 17.1 104.8 53.6 104 104 A E H > S+ 0 0 46 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.894 110.8 50.6 -68.0 -43.3 13.4 105.8 53.8 105 105 A V H X S+ 0 0 2 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.916 111.9 49.0 -60.4 -42.7 12.5 103.1 56.4 106 106 A T H X S+ 0 0 6 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.886 110.3 50.7 -65.2 -38.4 15.4 104.3 58.5 107 107 A R H X S+ 0 0 65 -4,-1.9 4,-2.1 2,-0.2 5,-0.2 0.906 109.7 50.6 -65.0 -42.9 14.4 107.9 58.2 108 108 A D H X S+ 0 0 15 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.900 112.2 46.9 -62.3 -42.7 10.8 107.1 59.2 109 109 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.910 110.7 51.5 -66.9 -43.1 12.1 105.2 62.3 110 110 A M H X S+ 0 0 29 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.887 111.9 46.3 -62.2 -42.2 14.5 108.0 63.3 111 111 A E H X S+ 0 0 89 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.874 112.4 51.7 -66.9 -38.8 11.7 110.7 63.1 112 112 A A H X S+ 0 0 21 -4,-1.8 4,-1.3 -5,-0.2 -2,-0.2 0.907 110.6 47.8 -64.5 -42.0 9.4 108.4 65.0 113 113 A R H X>S+ 0 0 3 -4,-2.5 5,-1.5 2,-0.2 4,-0.6 0.892 110.8 50.6 -67.8 -40.5 12.0 107.8 67.8 114 114 A E H ><5S+ 0 0 159 -4,-2.0 3,-1.0 1,-0.2 -2,-0.2 0.927 108.1 53.0 -63.8 -43.3 12.8 111.5 68.1 115 115 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.801 109.4 48.2 -61.7 -34.0 9.1 112.4 68.4 116 116 A C H 3<5S- 0 0 65 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.572 109.4-128.9 -82.8 -9.7 8.6 109.9 71.3 117 117 A G T <<5 + 0 0 60 -3,-1.0 -3,-0.2 -4,-0.6 -2,-0.1 0.713 47.9 161.0 70.9 23.1 11.6 111.4 72.9 118 118 A A < - 0 0 18 -5,-1.5 2,-0.3 1,-0.1 -1,-0.2 -0.390 47.1 -92.3 -73.6 157.0 13.4 108.0 73.5 119 119 A T E +f 29 0B 65 -91,-0.5 -89,-1.6 -2,-0.1 2,-0.4 -0.513 47.1 167.2 -76.5 131.4 17.1 108.1 74.1 120 120 A T E -f 30 0B 41 -2,-0.3 2,-0.7 -91,-0.2 -89,-0.2 -0.976 16.6-161.2-141.4 122.2 19.6 107.8 71.2 121 121 A V E > -f 31 0B 16 -91,-3.1 -89,-2.6 -2,-0.4 3,-0.5 -0.902 10.4-166.3-110.3 104.8 23.3 108.6 71.7 122 122 A Y T 3 S+ 0 0 40 -2,-0.7 -87,-0.2 1,-0.2 -89,-0.2 -0.448 71.6 28.4 -83.2 160.7 25.1 109.2 68.4 123 123 A Q T 3 S+ 0 0 119 -89,-1.8 2,-1.1 -91,-0.4 21,-0.3 0.847 74.6 165.6 55.1 35.3 28.9 109.3 68.2 124 124 A A < - 0 0 2 -92,-2.3 3,-0.4 -3,-0.5 -1,-0.2 -0.768 25.8-155.5 -81.5 103.6 29.0 106.9 71.1 125 125 A A E +B 142 0A 34 17,-2.8 17,-2.5 -2,-1.1 -91,-0.0 -0.547 55.6 6.5 -90.2 153.0 32.7 106.0 70.7 126 126 A E E S- 0 0 76 -2,-0.2 -1,-0.2 15,-0.2 2,-0.1 0.855 75.6-163.0 48.1 51.7 34.5 102.9 71.8 127 127 A V E - 0 0 12 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.412 9.0-174.5 -64.2 133.2 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336 A I H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.939 106.4 48.9 -59.4 -50.1 17.7 82.2 58.9 337 337 A W H X S+ 0 0 93 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.881 111.1 48.8 -62.1 -38.0 18.9 78.9 57.3 338 338 A K H X S+ 0 0 123 -4,-1.3 4,-2.1 -5,-0.3 -1,-0.2 0.904 114.2 46.5 -69.2 -36.7 16.0 78.6 54.9 339 339 A A H X S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.855 112.3 50.8 -70.5 -36.0 16.5 82.2 53.8 340 340 A E H X S+ 0 0 10 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.918 108.8 51.9 -65.1 -44.3 20.2 81.5 53.5 341 341 A R H X S+ 0 0 110 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.934 112.6 45.3 -58.0 -45.3 19.4 78.5 51.4 342 342 A F H X S+ 0 0 1 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.937 113.2 48.3 -63.3 -48.1 17.2 80.6 49.1 343 343 A S H X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.881 113.2 49.7 -60.1 -37.8 19.7 83.5 48.7 344 344 A W H X S+ 0 0 117 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.928 110.8 48.7 -66.7 -46.1 22.4 81.0 48.0 345 345 A W H X S+ 0 0 17 -4,-2.4 4,-1.8 -5,-0.2 5,-0.2 0.939 112.4 48.2 -60.8 -46.1 20.2 79.2 45.3 346 346 A M H X S+ 0 0 3 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.913 111.7 50.6 -59.9 -45.5 19.3 82.6 43.7 347 347 A T H X S+ 0 0 0 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.936 110.0 49.5 -59.7 -45.8 23.0 83.6 43.6 348 348 A S H < S+ 0 0 31 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.795 115.0 41.9 -69.3 -27.3 24.1 80.3 42.0 349 349 A V H < S+ 0 0 4 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.739 118.3 43.2 -92.4 -19.4 21.6 80.3 39.2 350 350 A L H < S+ 0 0 1 -4,-1.8 -146,-0.3 -5,-0.2 2,-0.2 0.696 101.9 71.3 -97.8 -20.1 21.8 84.1 38.3 351 351 A H S < S- 0 0 0 -4,-1.6 2,-0.6 -5,-0.2 -148,-0.1 -0.613 75.4-121.6-100.6 159.8 25.5 84.8 38.4 352 352 A R - 0 0 65 -2,-0.2 -144,-0.1 -148,-0.1 -3,-0.1 -0.856 30.7-150.6 -99.2 120.5 28.4 83.8 36.1 353 353 A F - 0 0 63 -2,-0.6 3,-0.4 -5,-0.1 2,-0.1 -0.686 20.0-106.0 -94.1 144.3 31.1 81.9 38.1 354 354 A P S S+ 0 0 73 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.459 98.0 4.0 -66.3 138.8 34.9 82.0 37.3 355 355 A D S S+ 0 0 171 1,-0.2 2,-0.4 -2,-0.1 0, 0.0 0.959 82.0 172.4 48.5 66.8 36.2 78.8 35.7 356 356 A T - 0 0 43 -3,-0.4 -1,-0.2 3,-0.0 2,-0.1 -0.877 28.0-128.0-103.5 133.5 32.9 76.9 35.4 357 357 A D > - 0 0 98 -2,-0.4 4,-1.7 1,-0.1 5,-0.2 -0.397 26.6-104.2 -78.0 162.4 33.1 73.6 33.4 358 358 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.869 118.5 55.5 -51.8 -45.2 30.7 72.9 30.5 359 359 A F H > S+ 0 0 144 1,-0.2 4,-2.4 2,-0.2 3,-0.2 0.964 107.6 47.8 -55.4 -54.8 28.5 70.5 32.6 360 360 A S H > S+ 0 0 57 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.813 109.1 53.4 -56.5 -37.6 27.8 73.1 35.4 361 361 A Q H X S+ 0 0 92 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.914 111.6 46.5 -64.0 -42.6 26.9 75.9 32.9 362 362 A R H X S+ 0 0 165 -4,-2.0 4,-2.3 -3,-0.2 -2,-0.2 0.872 111.7 50.3 -66.4 -39.1 24.4 73.5 31.3 363 363 A I H X S+ 0 0 77 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.916 109.3 53.3 -66.4 -36.7 23.1 72.5 34.7 364 364 A Q H X S+ 0 0 22 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.912 110.9 44.5 -62.0 -46.2 22.7 76.2 35.6 365 365 A Q H X S+ 0 0 66 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.904 113.2 52.0 -65.0 -40.3 20.7 77.0 32.5 366 366 A T H X S+ 0 0 68 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.828 103.2 58.0 -67.1 -34.0 18.6 73.8 33.1 367 367 A E H X S+ 0 0 60 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.955 110.4 44.8 -59.3 -47.4 17.9 74.8 36.8 368 368 A L H X S+ 0 0 3 -4,-1.6 4,-2.6 1,-0.2 5,-0.2 0.961 112.9 49.5 -61.2 -51.4 16.3 78.0 35.4 369 369 A E H X S+ 0 0 84 -4,-2.5 4,-0.6 1,-0.2 -1,-0.2 0.858 115.4 44.7 -58.4 -37.8 14.4 76.3 32.6 370 370 A Y H >X S+ 0 0 126 -4,-2.6 4,-1.6 2,-0.2 3,-1.0 0.979 115.8 42.7 -72.4 -56.7 13.0 73.8 35.1 371 371 A Y H 3< S+ 0 0 61 -4,-2.8 -2,-0.2 1,-0.3 10,-0.2 0.829 118.7 45.6 -59.9 -32.3 12.0 76.1 37.9 372 372 A L H 3< S+ 0 0 6 -4,-2.6 -1,-0.3 -5,-0.3 -2,-0.2 0.539 116.2 45.8 -86.5 -11.0 10.6 78.7 35.5 373 373 A G H << S+ 0 0 52 -3,-1.0 2,-0.4 -4,-0.6 -2,-0.2 0.573 99.3 75.1-107.4 -14.5 8.7 76.2 33.5 374 374 A S X - 0 0 28 -4,-1.6 4,-3.0 1,-0.1 5,-0.2 -0.873 70.0-141.9-103.6 136.6 7.1 74.1 36.2 375 375 A E H > S+ 0 0 105 -2,-0.4 4,-1.6 1,-0.2 -1,-0.1 0.856 109.0 46.7 -60.1 -36.7 4.1 75.2 38.2 376 376 A A H > S+ 0 0 62 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.865 111.4 50.8 -73.3 -36.2 5.7 73.5 41.2 377 377 A G H >> S+ 0 0 1 -7,-0.2 4,-1.5 2,-0.2 3,-0.6 0.950 109.6 50.7 -64.2 -47.6 9.1 75.1 40.5 378 378 A L H 3X S+ 0 0 21 -4,-3.0 4,-2.8 1,-0.2 -1,-0.2 0.878 107.2 54.5 -57.3 -42.7 7.6 78.5 40.2 379 379 A A H 3X S+ 0 0 31 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.818 103.4 54.5 -65.3 -30.9 5.8 78.1 43.6 380 380 A T H