==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-SEP-94 1DOB . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR D.L.GATTI,B.A.PALFEY,M.S.LAH,B.ENTSCH,V.MASSEY,D.P.BALLOU, . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17671.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 288 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 18.0 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 . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 29.9 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 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 0 104 0, 0.0 150,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 166.6 22.5 105.5 83.6 2 2 A K B +a 151 0A 170 148,-0.2 2,-0.3 150,-0.0 150,-0.2 -0.971 360.0 158.3-143.7 147.6 20.2 102.5 83.9 3 3 A T - 0 0 12 148,-2.1 3,-0.2 -2,-0.3 25,-0.1 -0.888 43.0-120.4-153.7 176.9 17.7 101.0 81.5 4 4 A Q S S+ 0 0 49 23,-0.6 149,-2.8 1,-0.3 150,-1.8 0.864 99.1 25.4 -92.7 -54.3 16.0 97.7 81.0 5 5 A V E -de 28 154B 0 22,-2.0 24,-1.7 148,-0.2 2,-0.5 -0.931 67.8-157.8-116.8 120.4 17.3 96.8 77.5 6 6 A A E -de 29 155B 0 148,-2.7 150,-3.2 -2,-0.5 2,-0.5 -0.835 11.6-163.0 -93.6 128.4 20.5 98.2 76.1 7 7 A I E -de 30 156B 1 22,-2.9 24,-2.4 -2,-0.5 2,-0.7 -0.969 6.0-153.7-114.6 120.5 20.5 98.1 72.3 8 8 A I E +de 31 157B 8 148,-2.6 150,-2.1 -2,-0.5 24,-0.2 -0.878 65.7 31.9 -98.1 114.0 23.9 98.5 70.5 9 9 A G - 0 0 7 22,-3.1 23,-0.2 -2,-0.7 150,-0.1 0.143 57.9-143.1 112.1 130.3 23.4 99.9 67.0 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 22,-0.1 -0.225 63.8 112.0-116.1 39.0 20.9 102.3 65.5 11 11 A G S > S- 0 0 12 147,-0.5 4,-2.4 29,-0.0 5,-0.2 -0.222 95.1 -68.5 -89.2-165.3 20.5 100.7 62.1 12 12 A P H > S+ 0 0 20 0, 0.0 4,-2.1 0, 0.0 5,-0.3 0.843 133.6 52.5 -54.7 -45.3 17.1 99.1 61.2 13 13 A S H > S+ 0 0 16 2,-0.2 4,-2.2 145,-0.2 5,-0.3 0.953 113.0 41.1 -57.3 -58.7 17.5 96.2 63.7 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.6 1,-0.2 -4,-0.2 0.919 117.1 48.2 -58.6 -46.6 18.2 98.4 66.8 15 15 A L H X S+ 0 0 2 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.861 113.0 46.8 -65.0 -38.3 15.6 101.1 65.9 16 16 A L H X S+ 0 0 6 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.968 115.8 44.1 -68.3 -52.7 12.8 98.5 65.2 17 17 A L H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.3 5,-0.2 0.900 114.8 53.5 -55.9 -40.0 13.5 96.5 68.4 18 18 A G H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.939 111.1 43.0 -61.8 -45.9 13.8 99.9 70.1 19 19 A Q H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.900 114.1 48.7 -68.4 -47.9 10.5 101.2 68.9 20 20 A L H X S+ 0 0 1 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.954 114.0 48.1 -55.3 -50.8 8.5 98.0 69.6 21 21 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 -5,-0.3 3,-0.4 0.897 111.3 49.8 -60.9 -39.7 10.0 97.7 73.1 22 22 A H H ><5S+ 0 0 54 -4,-2.3 3,-1.9 1,-0.2 -1,-0.2 0.934 107.4 52.6 -65.4 -48.9 9.2 101.4 73.9 23 23 A K H 3<5S+ 0 0 122 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.728 109.4 51.8 -58.1 -25.5 5.6 101.2 72.8 24 24 A A T 3<5S- 0 0 36 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.484 123.3-104.1 -90.5 -6.2 5.2 98.2 75.1 25 25 A G T < 5S+ 0 0 52 -3,-1.9 2,-0.7 -4,-0.4 -3,-0.2 0.670 79.5 129.3 92.9 18.0 6.6 100.0 78.1 26 26 A I < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.922 54.5-136.8-106.9 105.5 10.1 98.4 78.2 27 27 A D + 0 0 92 -2,-0.7 -22,-2.0 -3,-0.1 -23,-0.6 -0.345 28.3 177.5 -61.2 149.9 12.6 101.2 78.4 28 28 A N E -d 5 0B 5 -24,-0.2 91,-0.7 -25,-0.1 2,-0.4 -0.976 21.3-149.8-155.2 146.2 15.6 100.9 76.2 29 29 A V E -df 6 119B 6 -24,-1.7 -22,-2.9 -2,-0.3 2,-0.4 -0.997 13.9-150.0-121.1 130.1 18.7 102.9 75.4 30 30 A I E -df 7 120B 0 89,-1.7 91,-3.3 -2,-0.4 2,-0.5 -0.873 4.8-160.6-102.0 136.0 20.4 102.7 72.0 31 31 A L E -df 8 121B 2 -24,-2.4 -22,-3.1 -2,-0.4 2,-0.4 -0.968 11.7-176.1-114.6 124.7 24.2 103.3 71.6 32 32 A E E - f 0 122B 17 89,-2.7 92,-1.9 -2,-0.5 91,-0.5 -0.976 22.8-153.1-129.1 127.7 25.4 104.2 68.1 33 33 A R S S+ 0 0 180 -2,-0.4 -1,-0.1 90,-0.2 2,-0.1 0.821 79.4 49.2 -62.1 -38.5 29.0 104.7 67.0 34 34 A Q S S- 0 0 53 1,-0.1 89,-2.0 89,-0.1 90,-0.3 -0.169 92.2 -93.8 -94.1-174.1 28.3 107.1 64.1 35 35 A T > - 0 0 40 87,-0.2 4,-1.8 88,-0.1 5,-0.1 -0.593 38.2-106.3 -95.7 166.2 26.2 110.2 63.7 36 36 A P H > S+ 0 0 43 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.851 120.2 53.7 -60.6 -37.5 22.6 110.1 62.5 37 37 A D H > S+ 0 0 129 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.888 105.1 53.4 -66.3 -38.7 23.6 111.6 59.1 38 38 A Y H >> S+ 0 0 126 1,-0.2 3,-1.0 2,-0.2 4,-0.5 0.936 110.2 47.4 -62.1 -47.5 26.1 108.9 58.6 39 39 A V H >< S+ 0 0 5 -4,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.891 110.2 52.6 -61.0 -42.3 23.5 106.2 59.2 40 40 A L H 3< S+ 0 0 57 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.577 96.9 68.5 -72.9 -7.9 21.0 107.9 56.9 41 41 A G H << S+ 0 0 51 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.2 0.722 74.6 101.8 -83.2 -18.5 23.6 108.0 54.1 42 42 A R << - 0 0 68 -3,-1.1 -3,-0.0 -4,-0.5 -4,-0.0 -0.521 52.3-168.5 -70.7 122.5 23.5 104.2 53.6 43 43 A I + 0 0 29 -2,-0.3 60,-0.7 59,-0.1 59,-0.3 0.970 35.8 134.5 -74.3 -62.5 21.4 103.2 50.6 44 44 A R + 0 0 112 58,-0.1 -1,-0.1 57,-0.1 57,-0.0 -0.101 47.7 21.0 56.0-140.5 21.2 99.4 51.1 45 45 A A + 0 0 31 1,-0.1 57,-2.7 56,-0.1 58,-0.3 -0.103 39.1 174.6 -64.2 158.2 18.0 97.3 50.8 46 46 A G + 0 0 7 55,-0.2 54,-1.6 1,-0.1 2,-0.5 0.551 54.4 81.5-139.5 -11.6 14.7 98.0 49.0 47 47 A V E -I 99 0C 15 52,-0.2 2,-0.4 50,-0.0 52,-0.2 -0.903 53.2-168.5-111.7 118.9 12.5 94.9 49.2 48 48 A L E -I 98 0C 0 50,-3.6 50,-3.1 -2,-0.5 2,-0.1 -0.896 16.0-133.0-111.3 135.5 10.3 94.2 52.3 49 49 A E E > -I 97 0C 5 -2,-0.4 4,-2.0 48,-0.2 3,-0.5 -0.339 31.2-108.4 -74.6 161.5 8.5 91.0 53.1 50 50 A Q H > S+ 0 0 59 336,-0.8 4,-2.5 46,-0.5 5,-0.2 0.921 120.4 59.3 -56.9 -42.1 4.8 91.1 54.3 51 51 A G H > S+ 0 0 21 335,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.844 105.6 44.4 -54.9 -42.4 6.2 90.1 57.7 52 52 A M H > S+ 0 0 2 -3,-0.5 4,-1.7 2,-0.2 -1,-0.2 0.833 110.5 56.8 -73.3 -31.4 8.4 93.1 58.0 53 53 A V H X S+ 0 0 9 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.937 107.2 47.9 -62.4 -45.9 5.6 95.3 56.7 54 54 A D H X S+ 0 0 71 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.848 109.2 55.0 -63.9 -30.5 3.3 94.1 59.5 55 55 A L H X S+ 0 0 6 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.829 105.6 50.6 -72.2 -34.3 6.1 94.7 62.0 56 56 A L H <>S+ 0 0 2 -4,-1.7 5,-2.7 -3,-0.2 -1,-0.2 0.890 110.1 51.7 -70.4 -36.1 6.5 98.4 60.9 57 57 A R H ><5S+ 0 0 111 -4,-1.8 3,-1.2 3,-0.2 -2,-0.2 0.901 107.8 51.8 -64.4 -41.5 2.7 98.7 61.4 58 58 A E H 3<5S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.826 108.0 50.4 -67.3 -32.1 3.0 97.3 64.9 59 59 A A T 3<5S- 0 0 2 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.501 116.0-123.2 -82.5 -2.6 5.7 99.8 65.8 60 60 A G T < 5S+ 0 0 49 -3,-1.2 3,-0.3 -4,-0.1 -3,-0.2 0.697 78.9 120.4 67.2 25.5 3.2 102.3 64.4 61 61 A V < + 0 0 14 -5,-2.7 -4,-0.2 -6,-0.2 4,-0.1 -0.421 39.0 95.7-116.0 54.2 5.8 103.5 61.9 62 62 A D > + 0 0 37 -5,-0.2 4,-2.8 -2,-0.2 5,-0.3 0.401 43.5 100.7-125.7 3.1 4.0 102.8 58.7 63 63 A R H > S+ 0 0 151 -3,-0.3 4,-1.8 1,-0.2 5,-0.1 0.972 93.7 35.9 -55.8 -59.2 2.2 106.0 57.6 64 64 A R H > S+ 0 0 92 1,-0.2 4,-3.1 2,-0.2 5,-0.5 0.870 116.0 56.0 -65.4 -34.1 4.8 107.1 55.0 65 65 A M H > S+ 0 0 8 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.930 107.1 47.8 -64.2 -45.4 5.4 103.4 53.9 66 66 A A H < S+ 0 0 74 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.907 117.6 45.9 -61.8 -34.8 1.8 102.8 53.1 67 67 A R H < S+ 0 0 128 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.981 130.0 16.2 -69.6 -57.6 1.8 106.1 51.2 68 68 A D H < S+ 0 0 63 -4,-3.1 -3,-0.2 -5,-0.1 -2,-0.2 0.578 96.8 102.8 -96.4 -18.0 5.0 105.8 49.2 69 69 A G < - 0 0 14 -4,-2.5 2,-0.5 -5,-0.5 31,-0.2 -0.379 64.8-135.7 -67.0 148.0 5.9 102.1 49.3 70 70 A L E -J 99 0C 52 29,-2.3 29,-3.6 144,-0.1 2,-0.6 -0.943 7.6-139.1-109.4 130.1 5.1 100.1 46.1 71 71 A V E -J 98 0C 93 -2,-0.5 2,-0.5 27,-0.2 27,-0.2 -0.785 18.6-156.4 -89.7 116.3 3.5 96.6 46.4 72 72 A H E -J 97 0C 8 25,-2.5 25,-1.9 -2,-0.6 126,-0.1 -0.845 15.2-173.3 -97.8 131.7 5.0 94.2 43.9 73 73 A E + 0 0 94 -2,-0.5 16,-1.6 23,-0.2 15,-0.8 0.464 69.1 4.4 -98.4 -7.5 3.0 91.2 42.8 74 74 A G E -K 87 0D 0 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.948 56.1-144.0-164.0 172.9 5.7 89.4 40.8 75 75 A V E -K 86 0D 5 11,-1.2 11,-2.5 -2,-0.3 2,-0.4 -0.892 20.9-132.6-137.8 167.7 9.4 89.5 39.7 76 76 A E E -Kl 85 200D 26 123,-1.9 125,-2.6 -2,-0.3 2,-0.5 -0.948 8.9-159.9-131.6 137.7 10.9 88.5 36.4 77 77 A I E -Kl 84 201D 3 7,-2.8 7,-3.1 -2,-0.4 2,-0.5 -0.996 11.2-161.7-118.4 123.8 13.9 86.3 35.8 78 78 A A E +Kl 83 202D 5 123,-2.9 125,-2.6 -2,-0.5 2,-0.3 -0.933 21.3 151.7-110.0 131.4 15.6 86.6 32.4 79 79 A F E > +K 82 0D 7 3,-1.6 3,-1.4 -2,-0.5 125,-0.1 -0.967 63.1 2.2-155.7 143.4 17.9 84.0 31.0 80 80 A A T 3 S- 0 0 76 123,-0.5 2,-0.3 -2,-0.3 3,-0.1 0.808 129.4 -53.5 46.0 43.7 18.8 82.8 27.4 81 81 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 0, 0.0 123,-0.0 -0.118 116.0 111.3 89.4 -38.0 16.7 85.5 25.8 82 82 A Q E < -K 79 0D 81 -3,-1.4 -3,-1.6 -2,-0.3 2,-0.4 -0.225 53.4-155.0 -70.2 157.5 13.6 84.5 27.7 83 83 A R E -K 78 0D 85 -5,-0.2 2,-0.4 -3,-0.1 -5,-0.2 -0.962 15.2-168.5-135.2 108.2 11.9 86.6 30.4 84 84 A R E -K 77 0D 95 -7,-3.1 -7,-2.8 -2,-0.4 2,-0.4 -0.885 8.6-148.4-105.4 133.8 9.9 84.5 32.8 85 85 A R E -K 76 0D 98 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.854 0.4-155.1-103.2 134.3 7.4 86.1 35.3 86 86 A I E -K 75 0D 1 -11,-2.5 2,-1.4 -2,-0.4 -11,-1.2 -0.954 15.2-143.5-106.6 112.3 6.9 84.5 38.7 87 87 A D E > -K 74 0D 43 -2,-0.6 4,-2.4 1,-0.2 -13,-0.2 -0.722 19.8-174.2 -79.4 94.6 3.4 85.6 39.8 88 88 A L H > S+ 0 0 0 -2,-1.4 4,-1.3 -15,-0.8 7,-0.4 0.883 78.4 50.3 -58.0 -44.5 4.2 85.9 43.5 89 89 A K H 4>S+ 0 0 84 -16,-1.6 5,-3.7 2,-0.2 4,-0.5 0.923 115.0 41.3 -61.8 -49.0 0.7 86.6 44.6 90 90 A R H >45S+ 0 0 143 -17,-0.3 3,-0.9 1,-0.2 -2,-0.2 0.960 119.5 43.4 -62.8 -54.7 -0.9 83.7 42.7 91 91 A L H 3<5S+ 0 0 27 -4,-2.4 292,-0.2 1,-0.2 -1,-0.2 0.579 114.3 49.6 -71.9 -14.1 1.8 81.1 43.6 92 92 A S T 3<5S- 0 0 15 -4,-1.3 -1,-0.2 3,-0.2 -2,-0.2 0.462 117.8-102.3-105.1 -0.5 2.2 82.1 47.3 93 93 A G T < 5S- 0 0 66 -3,-0.9 -3,-0.2 -4,-0.5 -2,-0.1 0.862 86.2 -39.2 83.5 32.8 -1.5 82.1 48.2 94 94 A G S > - 0 0 0 113,-0.3 4,-2.2 -2,-0.3 3,-0.5 -0.222 12.6-132.0 -60.0 143.1 14.0 101.8 50.8 102 102 A Q H 3> S+ 0 0 16 -57,-2.7 4,-2.9 -59,-0.3 5,-0.2 0.848 110.0 58.1 -57.7 -38.2 15.9 100.9 53.9 103 103 A T H 3> S+ 0 0 26 -60,-0.7 4,-1.8 -58,-0.3 -1,-0.3 0.888 108.6 46.6 -59.5 -40.6 17.1 104.5 54.2 104 104 A E H <> S+ 0 0 49 -3,-0.5 4,-2.7 2,-0.2 -2,-0.2 0.879 110.7 50.4 -71.2 -37.2 13.5 105.5 54.4 105 105 A V H X S+ 0 0 3 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.935 111.4 49.7 -63.9 -42.8 12.6 102.9 56.9 106 106 A T H X S+ 0 0 5 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.881 111.4 49.8 -63.0 -37.3 15.5 104.0 59.0 107 107 A R H X S+ 0 0 77 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.937 109.4 49.7 -65.5 -51.2 14.3 107.6 58.7 108 108 A D H X S+ 0 0 15 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.902 113.9 46.6 -55.8 -45.0 10.8 106.8 59.7 109 109 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.926 110.7 50.5 -65.5 -46.3 12.0 104.9 62.7 110 110 A M H X S+ 0 0 30 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.890 111.8 48.9 -59.1 -42.9 14.5 107.6 63.8 111 111 A E H X S+ 0 0 109 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.925 110.9 50.7 -61.4 -45.9 11.8 110.3 63.6 112 112 A A H X S+ 0 0 24 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.872 109.6 50.1 -60.0 -40.3 9.4 108.1 65.6 113 113 A R H X>S+ 0 0 4 -4,-2.3 5,-1.5 2,-0.2 4,-0.6 0.850 110.3 50.2 -69.2 -36.6 11.9 107.6 68.3 114 114 A E H ><5S+ 0 0 165 -4,-1.7 3,-2.1 1,-0.2 -2,-0.2 0.989 108.9 51.4 -64.1 -55.3 12.6 111.3 68.6 115 115 A A H 3<5S+ 0 0 89 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.698 110.7 48.3 -53.2 -29.6 9.0 112.2 68.9 116 116 A C H 3<5S- 0 0 67 -4,-1.2 -1,-0.3 -5,-0.1 -2,-0.2 0.539 109.6-124.0 -90.4 -7.6 8.4 109.6 71.7 117 117 A G T <<5 + 0 0 61 -3,-2.1 -3,-0.2 -4,-0.6 -2,-0.1 0.679 51.2 159.0 73.8 22.0 11.5 110.9 73.6 118 118 A A < - 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0 0 12 -2,-0.4 -22,-0.2 -21,-0.2 -21,-0.2 -0.915 37.1-102.5-128.1 151.8 23.2 86.4 53.3 292 292 A P > - 0 0 0 0, 0.0 3,-0.9 0, 0.0 5,-0.4 -0.554 37.0-116.9 -70.5 151.6 24.2 87.4 49.7 293 293 A P G > S+ 0 0 55 0, 0.0 3,-2.7 0, 0.0 5,-0.1 0.673 91.4 97.4 -66.8 -10.6 21.7 90.1 48.5 294 294 A T G 3 S+ 0 0 0 1,-0.3 50,-0.1 49,-0.1 49,-0.0 0.759 90.9 39.4 -47.0 -38.2 20.3 87.9 45.6 295 295 A G G < S- 0 0 1 -3,-0.9 -1,-0.3 44,-0.1 48,-0.1 0.385 103.9-126.7 -96.5 5.8 17.3 86.9 47.6 296 296 A A < + 0 0 25 -3,-2.7 4,-0.3 -4,-0.1 -2,-0.1 0.819 67.9 131.2 53.6 40.6 16.7 90.3 49.4 297 297 A K > + 0 0 6 -5,-0.4 4,-2.5 2,-0.1 5,-0.3 0.611 36.6 87.2-100.1 -10.6 16.8 88.6 52.8 298 298 A G H > S+ 0 0 22 2,-0.2 4,-1.9 1,-0.2 3,-0.5 0.959 98.0 32.3 -52.4 -68.4 19.1 90.7 54.9 299 299 A L H > S+ 0 0 20 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.821 119.5 58.7 -61.3 -28.5 16.9 93.4 56.3 300 300 A N H > S+ 0 0 2 -4,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.857 104.8 46.1 -74.8 -30.2 14.1 90.7 56.3 301 301 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 -3,-0.5 -16,-0.3 0.868 109.9 55.7 -74.7 -37.2 16.0 88.3 58.6 302 302 A A H X S+ 0 0 5 -4,-1.9 4,-2.4 -5,-0.3 -2,-0.2 0.925 107.0 51.2 -58.6 -43.6 16.9 91.3 60.9 303 303 A A H X S+ 0 0 2 -4,-1.8 4,-3.1 1,-0.2 -1,-0.2 0.907 110.6 46.8 -62.2 -45.7 13.2 92.0 61.1 304 304 A S H X S+ 0 0 3 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.877 111.0 50.9 -67.9 -31.3 12.3 88.4 62.1 305 305 A D H X S+ 0 0 2 -4,-2.5 4,-3.3 2,-0.2 5,-0.2 0.950 114.8 45.9 -67.3 -46.4 15.1 88.2 64.7 306 306 A V H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.939 109.7 51.5 -62.5 -47.5 13.8 91.4 66.1 307 307 A S H X S+ 0 0 12 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.888 115.8 45.2 -59.7 -35.2 10.1 90.3 66.0 308 308 A T H X S+ 0 0 20 -4,-2.0 4,-1.9 -5,-0.2 -2,-0.2 0.949 112.4 46.6 -74.5 -48.4 11.3 87.2 67.8 309 309 A L H X S+ 0 0 1 -4,-3.3 4,-2.3 1,-0.2 -2,-0.2 0.892 113.6 52.3 -59.6 -39.9 13.5 88.9 70.5 310 310 A Y H X S+ 0 0 19 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.969 107.9 47.5 -60.2 -57.5 10.8 91.4 71.2 311 311 A R H X S+ 0 0 124 -4,-1.8 4,-1.4 -5,-0.3 -1,-0.2 0.845 114.1 49.6 -57.1 -33.8 8.0 88.9 71.8 312 312 A L H X S+ 0 0 2 -4,-1.9 4,-2.7 2,-0.2 -1,-0.2 0.917 112.5 45.5 -71.5 -42.8 10.3 86.9 74.1 313 313 A L H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.3 0.837 108.2 58.6 -67.3 -33.3 11.3 90.0 76.1 314 314 A L H X>S+ 0 0 17 -4,-2.7 4,-1.7 2,-0.2 5,-0.6 0.903 109.4 43.9 -63.0 -41.4 7.6 91.0 76.2 315 315 A K H X>S+ 0 0 47 -4,-1.4 4,-2.1 -5,-0.2 6,-1.1 0.961 110.6 55.8 -67.0 -49.8 6.9 87.7 77.9 316 316 A A H <5S+ 0 0 14 -4,-2.7 4,-0.4 5,-0.3 6,-0.3 0.873 120.8 27.8 -50.0 -45.3 10.0 88.1 80.2 317 317 A Y H <5S+ 0 0 57 -4,-2.6 3,-0.3 2,-0.1 -2,-0.2 0.968 127.3 36.9 -84.4 -61.3 8.8 91.5 81.5 318 318 A R H <5S+ 0 0 173 -4,-1.7 -3,-0.2 -5,-0.3 -2,-0.2 0.799 133.4 26.2 -64.4 -28.8 5.0 91.6 81.3 319 319 A E T < + 0 0 94 -6,-1.1 3,-1.3 1,-0.2 -5,-0.3 -0.433 14.2 151.7 -85.6 66.4 8.5 84.2 81.9 322 322 A G G > + 0 0 29 -2,-1.6 3,-0.8 -6,-0.3 -1,-0.2 0.581 58.7 75.7 -71.9 -10.3 12.2 85.0 81.5 323 323 A E G > S+ 0 0 132 1,-0.2 3,-1.3 -3,-0.2 4,-0.3 0.723 80.3 72.2 -73.8 -17.8 13.1 81.3 80.8 324 324 A L G X S+ 0 0 22 -3,-1.3 3,-2.1 1,-0.2 -1,-0.2 0.782 78.0 76.7 -67.9 -25.5 11.6 81.6 77.4 325 325 A L G X S+ 0 0 7 -3,-0.8 3,-1.6 1,-0.3 4,-0.3 0.722 79.6 70.9 -60.9 -18.5 14.6 83.7 76.2 326 326 A E G < S+ 0 0 151 -3,-1.3 4,-0.4 1,-0.3 3,-0.3 0.824 90.0 62.9 -68.6 -22.0 16.7 80.6 76.0 327 327 A R G <> S+ 0 0 101 -3,-2.1 4,-2.3 -4,-0.3 -1,-0.3 0.511 76.8 96.0 -79.7 -2.0 14.6 79.6 73.0 328 328 A Y H <> S+ 0 0 0 -3,-1.6 4,-2.7 1,-0.2 5,-0.3 0.957 82.7 43.9 -54.6 -59.9 15.7 82.6 70.9 329 329 A S H > S+ 0 0 9 -3,-0.3 4,-3.1 -4,-0.3 -1,-0.2 0.854 114.5 50.0 -57.6 -36.0 18.6 81.1 68.9 330 330 A A H > S+ 0 0 40 -4,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.937 113.5 44.4 -70.6 -44.8 16.6 77.9 68.1 331 331 A I H >X S+ 0 0 4 -4,-2.3 4,-1.1 1,-0.2 3,-0.8 0.995 118.7 44.0 -61.3 -58.3 13.6 79.8 66.9 332 332 A C H 3X S+ 0 0 3 -4,-2.7 4,-2.6 1,-0.2 3,-0.3 0.875 108.3 56.9 -52.9 -49.0 15.7 82.3 64.9 333 333 A L H 3X S+ 0 0 21 -4,-3.1 4,-2.7 -5,-0.3 5,-0.3 0.840 99.4 60.2 -57.5 -33.7 18.1 79.7 63.4 334 334 A R H - 0 0 97 -2,-0.4 4,-1.6 1,-0.1 3,-0.1 -0.358 27.4-102.5 -78.4 163.3 33.1 73.3 33.6 358 358 A A H > S+ 0 0 74 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.828 117.5 55.6 -52.2 -42.8 30.6 72.6 30.8 359 359 A F H > S+ 0 0 146 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.966 108.1 47.0 -57.6 -55.3 28.5 70.2 32.8 360 360 A S H > S+ 0 0 61 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.816 109.2 54.8 -57.1 -36.1 27.8 72.7 35.7 361 361 A Q H X S+ 0 0 83 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.944 111.1 45.1 -62.5 -47.5 26.9 75.5 33.1 362 362 A R H X S+ 0 0 162 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.868 112.1 52.1 -65.0 -35.0 24.3 73.1 31.6 363 363 A I H X S+ 0 0 77 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.936 109.2 50.0 -67.1 -44.4 23.0 72.2 35.0 364 364 A Q H X S+ 0 0 42 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.913 113.1 46.0 -58.7 -43.6 22.7 75.9 35.9 365 365 A Q H X S+ 0 0 72 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.934 113.7 49.1 -65.3 -42.8 20.7 76.6 32.7 366 366 A T H X S+ 0 0 65 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.794 104.1 59.8 -67.3 -31.4 18.6 73.5 33.3 367 367 A E H X S+ 0 0 60 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.928 110.0 43.2 -59.5 -51.2 17.9 74.5 37.0 368 368 A L H X S+ 0 0 1 -4,-1.6 4,-2.7 2,-0.2 5,-0.2 0.950 113.0 51.1 -61.2 -49.9 16.3 77.7 35.6 369 369 A E H < S+ 0 0 82 -4,-2.5 4,-0.4 1,-0.2 -2,-0.2 0.908 115.8 42.6 -56.8 -42.4 14.4 76.0 32.8 370 370 A Y H >X S+ 0 0 124 -4,-2.6 3,-1.3 2,-0.2 4,-0.8 0.979 117.1 43.1 -68.2 -58.9 13.0 73.5 35.3 371 371 A Y H 3< S+ 0 0 62 -4,-2.8 3,-0.2 1,-0.2 -2,-0.2 0.809 116.8 47.5 -58.8 -34.0 12.1 75.8 38.2 372 372 A L T 3< S+ 0 0 2 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.447 117.4 42.1 -88.0 -0.5 10.6 78.5 35.9 373 373 A G T <4 S+ 0 0 48 -3,-1.3 2,-0.5 -4,-0.4 -1,-0.2 0.377 98.3 79.0-123.7 -3.0 8.5 76.1 33.9 374 374 A S X - 0 0 24 -4,-0.8 4,-3.1 -3,-0.2 5,-0.2 -0.946 69.9-142.1-108.5 133.2 7.1 73.8 36.5 375 375 A E H > S+ 0 0 102 -2,-0.5 4,-1.4 1,-0.2 -1,-0.1 0.828 108.8 45.8 -60.3 -32.6 4.2 75.0 38.6 376 376 A A H > S+ 0 0 62 2,-0.2 4,-1.7 1,-0.1 -1,-0.2 0.870 111.5 52.5 -76.6 -38.7 5.8 73.3 41.6 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.930 110.3 47.8 -59.8 -45.7 9.2 74.8 40.8 378 378 A L H X S+ 0 0 17 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.869 107.5 56.1 -64.5 -37.8 7.6 78.3 40.6 379 379 A A H X S+ 0 0 29 -4,-1.4 4,-2.8 -5,-0.2 5,-0.3 0.872 103.1 55.3 -64.8 -33.2 5.9 77.8 43.9 380 380 A T H X S+ 0 0 54 -4,-1.7 4,-0.9 2,-0.2 -1,-0.2 0.840 113.6 40.2 -68.2 -38.8 9.2 77.0 45.7 381 381 A I H X S+ 0 0 2 -4,-1.2 4,-3.0 -3,-0.2 -2,-0.2 0.939 117.1 50.4 -70.3 -53.6 10.8 80.3 44.5 382 382 A A H X S+ 0 0 0 -4,-2.8 4,-2.5 2,-0.2 5,-0.3 0.927 110.6 45.9 -50.3 -57.0 7.5 82.3 45.1 383 383 A E H X S+ 0 0 94 -4,-2.8 4,-1.0 -292,-0.2 -1,-0.2 0.864 117.9 45.4 -59.6 -33.0 6.9 81.1 48.7 384 384 A N H < S+ 0 0 13 -4,-0.9 4,-0.3 -5,-0.3 -1,-0.2 0.845 111.4 52.8 -77.1 -35.0 10.6 81.7 49.5 385 385 A Y H < S+ 0 0 4 -4,-3.0 -2,-0.2 1,-0.2 -3,-0.2 0.926 111.7 42.6 -70.1 -43.1 10.6 85.0 47.9 386 386 A V H < S- 0 0 4 -4,-2.5 -336,-0.8 -5,-0.2 -335,-0.4 0.768 126.9 -95.3 -73.5 -24.1 7.6 86.5 49.7 387 387 A G < - 0 0 13 -4,-1.0 -2,-0.1 -5,-0.3 -3,-0.1 0.268 28.2-101.7 112.0 126.6 8.9 85.0 52.9 388 388 A L - 0 0 40 -4,-0.3 -337,-0.1 1,-0.1 -4,-0.0 -0.406 58.8 -79.8 -72.2 146.3 8.2 81.8 54.8 389 389 A P - 0 0 111 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.034 45.1-112.3 -46.8 142.0 5.9 82.2 57.9 390 390 A Y - 0 0 64 -3,-0.1 2,-0.1 1,-0.1 -86,-0.0 -0.633 37.9-108.6 -77.4 143.4 7.3 83.6 61.2 391 391 A E - 0 0 84 -2,-0.3 -1,-0.1 1,-0.1 -60,-0.0 -0.364 24.6-154.4 -72.3 150.1 7.4 80.9 64.0 392 392 A E + 0 0 167 -2,-0.1 -1,-0.1 -61,-0.0 -61,-0.0 0.937 21.5 176.7 -90.1 -58.7 4.9 81.2 66.9 393 393 A I 0 0 41 1,-0.0 0, 0.0 -62,-0.0 0, 0.0 0.394 360.0 360.0 62.7 162.3 6.2 79.6 70.2 394 394 A E 0 0 139 -70,-0.1 -1,-0.0 0, 0.0 -70,-0.0 -0.040 360.0 360.0 169.6 360.0 4.9 79.2 73.8