==== 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 06-SEP-94 1DOD . 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,M. . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17254.0 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 . 25 6.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 18.5 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 . 5 1.3 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 . 35 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 119 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 2 2 1 0 0 1 0 1 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 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 2 1 1 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 0 108 0, 0.0 150,-2.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.2 22.9 105.9 83.8 2 2 A K B +a 151 0A 130 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.992 360.0 155.3-142.3 143.3 20.4 103.0 83.9 3 3 A T - 0 0 9 148,-2.1 3,-0.2 -2,-0.3 25,-0.1 -0.892 42.4-120.0-151.5 176.8 17.9 101.5 81.5 4 4 A Q S S+ 0 0 50 23,-0.3 149,-2.8 1,-0.3 150,-1.8 0.900 98.5 21.9 -91.1 -55.5 16.1 98.1 80.9 5 5 A V E -de 28 154B 1 22,-1.9 24,-1.9 148,-0.2 2,-0.4 -0.953 69.3-155.6-119.1 119.7 17.4 97.1 77.5 6 6 A A E -de 29 155B 0 148,-2.7 150,-3.0 -2,-0.5 2,-0.5 -0.777 12.3-160.7 -89.5 133.6 20.6 98.6 76.1 7 7 A I E -de 30 156B 0 22,-3.1 24,-2.6 -2,-0.4 2,-0.7 -0.968 5.8-153.6-121.4 117.4 20.7 98.5 72.2 8 8 A I E +de 31 157B 7 148,-2.5 150,-1.8 -2,-0.5 24,-0.2 -0.824 65.0 27.1 -93.0 115.8 24.0 98.8 70.4 9 9 A G - 0 0 6 22,-3.6 23,-0.2 -2,-0.7 150,-0.1 0.359 58.0-138.7 107.8 127.0 23.5 100.2 67.0 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 149,-0.1 -0.171 63.7 112.1-108.8 39.3 21.0 102.6 65.3 11 11 A G S > S- 0 0 13 147,-0.5 4,-2.3 4,-0.0 5,-0.3 -0.190 93.8 -67.7 -89.1-164.6 20.5 100.9 62.0 12 12 A P H > S+ 0 0 17 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.903 133.2 51.4 -51.3 -50.0 17.1 99.2 61.0 13 13 A S H > S+ 0 0 15 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.928 113.2 41.2 -54.5 -57.8 17.5 96.5 63.6 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.7 2,-0.2 -1,-0.2 0.919 117.4 46.8 -61.8 -46.7 18.2 98.7 66.7 15 15 A L H X S+ 0 0 1 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.910 114.3 47.4 -62.4 -44.5 15.7 101.4 65.8 16 16 A L H X S+ 0 0 3 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.950 114.7 45.7 -64.2 -47.0 12.9 98.9 65.1 17 17 A L H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.3 5,-0.2 0.951 113.6 51.2 -58.5 -47.9 13.6 96.9 68.3 18 18 A G H X S+ 0 0 0 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.841 110.8 46.9 -58.6 -37.2 13.8 100.2 70.2 19 19 A Q H X S+ 0 0 11 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.897 111.7 49.8 -73.8 -41.6 10.5 101.5 68.9 20 20 A L H X S+ 0 0 3 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.944 114.9 45.1 -60.2 -48.2 8.6 98.2 69.5 21 21 A L H <>S+ 0 0 0 -4,-2.6 5,-2.8 -5,-0.2 3,-0.4 0.890 111.6 51.4 -62.9 -46.3 9.9 98.1 73.1 22 22 A H H ><5S+ 0 0 63 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.942 107.4 52.6 -57.9 -50.7 9.2 101.8 73.8 23 23 A K H 3<5S+ 0 0 135 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.765 108.6 52.1 -57.2 -25.2 5.6 101.4 72.6 24 24 A A T 3<5S- 0 0 39 -4,-1.1 -1,-0.3 -3,-0.4 -2,-0.2 0.379 123.3-102.6 -92.1 1.5 5.2 98.5 75.0 25 25 A G T < 5S+ 0 0 56 -3,-2.0 2,-0.7 -4,-0.2 -3,-0.2 0.613 78.6 133.7 89.2 13.1 6.5 100.4 78.0 26 26 A I < - 0 0 6 -5,-2.8 -1,-0.2 -6,-0.2 -2,-0.2 -0.861 53.1-132.7-102.0 110.1 10.0 98.8 78.1 27 27 A D + 0 0 91 -2,-0.7 -22,-1.9 -3,-0.1 -23,-0.3 -0.330 33.0 170.6 -62.4 141.6 12.7 101.4 78.5 28 28 A N E -d 5 0B 6 -24,-0.2 91,-0.6 -25,-0.1 2,-0.4 -0.983 22.8-153.0-152.6 146.6 15.6 101.1 76.1 29 29 A V E -df 6 119B 6 -24,-1.9 -22,-3.1 -2,-0.3 2,-0.4 -0.985 12.2-149.6-122.3 135.9 18.6 103.2 75.2 30 30 A I E -df 7 120B 0 89,-1.7 91,-3.2 -2,-0.4 2,-0.5 -0.920 5.5-161.5-107.3 134.2 20.4 103.0 71.8 31 31 A L E -df 8 121B 2 -24,-2.6 -22,-3.6 -2,-0.4 2,-0.4 -0.963 11.4-176.3-112.1 126.2 24.2 103.6 71.4 32 32 A E - 0 0 16 89,-2.9 92,-2.3 -2,-0.5 91,-0.4 -0.991 24.2-152.3-129.3 131.2 25.4 104.5 67.9 33 33 A R S S+ 0 0 141 -2,-0.4 -1,-0.1 90,-0.3 89,-0.0 0.880 79.7 53.6 -63.5 -42.2 29.1 105.0 66.8 34 34 A Q S S- 0 0 55 1,-0.1 89,-1.7 89,-0.1 90,-0.2 -0.167 89.6 -97.5 -87.4-177.0 28.2 107.3 63.9 35 35 A T > - 0 0 36 87,-0.2 4,-1.9 88,-0.1 5,-0.2 -0.541 36.3-109.1 -95.6 164.3 26.1 110.5 63.5 36 36 A P H > S+ 0 0 45 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.850 119.6 56.7 -63.7 -33.2 22.5 110.4 62.2 37 37 A D H > S+ 0 0 134 2,-0.2 4,-0.7 1,-0.2 -3,-0.0 0.932 105.5 49.9 -65.1 -41.8 23.7 111.9 58.9 38 38 A Y H >4 S+ 0 0 129 1,-0.2 3,-1.0 2,-0.2 4,-0.4 0.918 110.4 49.4 -64.0 -43.5 26.1 109.1 58.3 39 39 A V H >< S+ 0 0 7 -4,-1.9 3,-1.3 1,-0.3 -1,-0.2 0.912 109.2 53.3 -64.3 -37.2 23.5 106.5 59.0 40 40 A L H 3< S+ 0 0 59 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.605 96.0 68.6 -75.7 -9.3 21.1 108.2 56.6 41 41 A G T << S+ 0 0 53 -3,-1.0 2,-0.3 -4,-0.7 -1,-0.3 0.612 75.2 101.7 -84.3 -9.4 23.6 108.2 53.8 42 42 A R < - 0 0 65 -3,-1.3 -3,-0.0 -4,-0.4 -4,-0.0 -0.590 47.3-176.7 -79.1 127.9 23.5 104.4 53.4 43 43 A I + 0 0 25 -2,-0.3 60,-0.6 59,-0.1 59,-0.5 0.921 32.9 128.1 -87.2 -62.4 21.3 103.3 50.4 44 44 A R + 0 0 117 58,-0.1 59,-0.0 57,-0.1 -1,-0.0 0.022 52.5 26.7 49.8-135.1 21.3 99.5 50.5 45 45 A A + 0 0 33 1,-0.1 57,-2.9 56,-0.1 58,-0.3 -0.077 40.8 175.3 -63.5 158.7 18.1 97.4 50.5 46 46 A G + 0 0 8 55,-0.3 54,-1.8 56,-0.1 2,-0.5 0.420 51.2 88.3-143.2 -0.9 14.8 98.2 48.9 47 47 A V E -I 99 0C 11 52,-0.2 2,-0.4 249,-0.1 52,-0.2 -0.916 49.3-169.0-114.2 126.4 12.5 95.1 49.3 48 48 A L E -I 98 0C 0 50,-3.4 50,-3.2 -2,-0.5 2,-0.1 -0.930 15.7-137.1-116.0 130.6 10.3 94.3 52.3 49 49 A E E > -I 97 0C 6 -2,-0.4 4,-1.9 48,-0.2 3,-0.4 -0.355 33.4-106.8 -73.1 163.1 8.4 91.1 53.0 50 50 A Q H > S+ 0 0 62 336,-0.7 4,-2.4 46,-0.5 5,-0.2 0.863 120.0 61.1 -61.3 -36.6 4.8 91.3 54.2 51 51 A G H > S+ 0 0 21 335,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.898 105.8 44.3 -57.1 -43.1 6.1 90.3 57.6 52 52 A M H > S+ 0 0 2 -3,-0.4 4,-1.8 2,-0.2 -1,-0.2 0.865 109.7 56.5 -71.9 -33.4 8.3 93.4 57.9 53 53 A V H X S+ 0 0 15 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.907 109.5 46.6 -62.6 -39.2 5.5 95.6 56.6 54 54 A D H X S+ 0 0 64 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.894 108.5 54.8 -71.9 -34.7 3.3 94.4 59.4 55 55 A L H X S+ 0 0 4 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.851 107.3 50.6 -64.2 -37.3 6.1 94.9 62.0 56 56 A L H <>S+ 0 0 2 -4,-1.8 5,-2.4 2,-0.2 -1,-0.2 0.879 110.3 49.7 -66.8 -40.5 6.4 98.5 60.9 57 57 A R H ><5S+ 0 0 138 -4,-1.6 3,-1.4 1,-0.2 -2,-0.2 0.921 109.8 51.1 -64.6 -42.0 2.7 99.0 61.2 58 58 A E H 3<5S+ 0 0 76 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.857 108.4 51.4 -64.1 -34.7 2.8 97.4 64.7 59 59 A A T 3<5S- 0 0 1 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.484 115.6-121.3 -80.3 -3.5 5.6 99.9 65.6 60 60 A G T < 5S+ 0 0 49 -3,-1.4 3,-0.3 -4,-0.2 2,-0.2 0.621 81.7 115.5 71.7 22.8 3.3 102.7 64.4 61 61 A V < + 0 0 15 -5,-2.4 -4,-0.2 1,-0.2 4,-0.1 -0.429 41.3 96.0-118.9 56.1 5.8 103.8 61.8 62 62 A D > + 0 0 39 -2,-0.2 4,-2.7 -5,-0.2 5,-0.2 0.443 43.7 97.8-127.3 1.3 3.9 103.1 58.6 63 63 A R H > S+ 0 0 160 -3,-0.3 4,-1.0 1,-0.2 5,-0.1 0.935 94.2 39.8 -56.7 -52.4 2.1 106.3 57.4 64 64 A R H > S+ 0 0 54 1,-0.2 4,-2.9 2,-0.2 5,-0.4 0.877 116.2 51.7 -66.4 -37.9 4.9 107.2 54.9 65 65 A M H > S+ 0 0 12 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.879 106.6 52.4 -67.7 -36.8 5.3 103.6 53.8 66 66 A A H < S+ 0 0 77 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.789 118.0 40.2 -70.6 -21.0 1.6 103.1 53.2 67 67 A R H < S+ 0 0 143 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.2 0.898 128.2 23.2 -91.0 -48.2 1.7 106.2 51.0 68 68 A D H < S+ 0 0 74 -4,-2.9 -3,-0.2 -5,-0.1 -2,-0.2 0.588 94.9 100.1 -97.0 -20.6 5.0 105.9 49.0 69 69 A G < - 0 0 17 -4,-1.7 2,-0.5 -5,-0.4 31,-0.2 -0.410 65.9-134.4 -69.7 150.8 5.9 102.2 49.0 70 70 A L E -J 99 0C 52 29,-2.3 29,-3.1 144,-0.1 2,-0.4 -0.931 9.6-141.4-108.7 130.3 5.1 100.2 45.9 71 71 A V E -J 98 0C 90 -2,-0.5 2,-0.4 27,-0.2 27,-0.2 -0.756 19.0-158.5 -89.7 128.4 3.4 96.8 46.3 72 72 A H E -J 97 0C 8 25,-2.9 25,-1.7 -2,-0.4 126,-0.1 -0.967 19.0-176.5-114.0 134.1 4.7 94.3 43.8 73 73 A E S S+ 0 0 84 -2,-0.4 16,-1.7 23,-0.2 15,-0.8 0.393 70.9 13.9-104.0 -6.0 2.8 91.2 42.7 74 74 A G E -K 87 0D 0 13,-0.2 125,-0.5 14,-0.2 2,-0.3 -0.953 56.5-152.8-158.7 170.6 5.5 89.7 40.5 75 75 A V E -K 86 0D 4 11,-1.2 11,-2.8 -2,-0.3 2,-0.4 -0.935 21.6-128.5-145.1 155.4 9.2 89.8 39.5 76 76 A E E -Kl 85 200D 18 123,-2.5 125,-2.8 -2,-0.3 2,-0.4 -0.884 10.3-160.5-115.0 148.5 10.9 88.8 36.3 77 77 A I E -Kl 84 201D 5 7,-2.8 7,-2.9 -2,-0.4 2,-0.5 -0.998 9.8-163.7-125.3 124.7 13.8 86.6 35.5 78 78 A A E +Kl 83 202D 5 123,-2.7 125,-2.9 -2,-0.4 2,-0.3 -0.949 20.7 151.0-112.2 127.7 15.6 86.9 32.2 79 79 A F E > +Kl 82 203D 7 3,-2.0 3,-1.6 -2,-0.5 125,-0.1 -0.979 62.3 2.9-153.7 143.6 17.9 84.3 30.9 80 80 A A T 3 S- 0 0 74 123,-0.5 2,-0.2 -2,-0.3 3,-0.1 0.846 129.3 -51.2 48.8 47.9 19.0 83.1 27.4 81 81 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 -0.021 117.3 100.6 85.6 -32.4 16.9 85.8 25.6 82 82 A Q E < -K 79 0D 79 -3,-1.6 -3,-2.0 -2,-0.2 2,-0.4 -0.503 57.6-146.8 -94.4 158.9 13.6 85.1 27.3 83 83 A R E -K 78 0D 87 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.989 13.9-170.5-122.7 124.7 11.8 86.8 30.2 84 84 A R E -K 77 0D 73 -7,-2.9 -7,-2.8 -2,-0.4 2,-0.4 -0.972 10.5-148.6-120.1 129.1 9.7 84.8 32.6 85 85 A R E -K 76 0D 102 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.833 3.1-150.8 -98.7 135.7 7.4 86.4 35.1 86 86 A I E -K 75 0D 1 -11,-2.8 2,-1.3 -2,-0.4 -11,-1.2 -0.940 11.9-143.4-105.4 116.4 6.8 84.8 38.5 87 87 A D E > -K 74 0D 41 -2,-0.6 4,-2.5 -13,-0.2 -13,-0.2 -0.727 20.7-178.2 -81.4 94.5 3.4 85.7 39.8 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-2.1 -15,-0.8 7,-0.4 0.898 78.1 51.7 -60.7 -43.5 4.2 86.0 43.5 89 89 A K H >>S+ 0 0 79 -16,-1.7 5,-3.6 2,-0.2 4,-0.6 0.972 115.8 38.2 -60.3 -54.8 0.6 86.8 44.5 90 90 A R H >45S+ 0 0 142 -17,-0.3 3,-0.9 1,-0.2 -2,-0.2 0.953 121.3 44.8 -62.0 -49.8 -1.0 83.9 42.7 91 91 A L H 3<5S+ 0 0 27 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.687 113.6 47.6 -72.0 -21.4 1.8 81.4 43.5 92 92 A S H 3<5S- 0 0 23 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.433 119.3-100.4 -99.9 -0.2 2.2 82.3 47.2 93 93 A G T <<5S- 0 0 74 -3,-0.9 -3,-0.2 -4,-0.6 -2,-0.1 0.804 86.8 -39.3 86.9 28.7 -1.5 82.2 48.0 94 94 A G S - 0 0 1 -2,-0.3 4,-2.1 113,-0.3 -55,-0.3 -0.098 12.5-127.3 -55.9 150.6 14.0 101.8 50.5 102 102 A Q H > S+ 0 0 18 -57,-2.9 4,-2.2 -59,-0.5 5,-0.2 0.847 112.4 57.2 -63.0 -34.2 16.1 101.0 53.6 103 103 A T H > S+ 0 0 22 -60,-0.6 4,-2.1 -58,-0.3 -1,-0.2 0.896 107.1 47.6 -62.0 -45.1 17.0 104.6 53.9 104 104 A E H > S+ 0 0 46 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.891 110.5 50.4 -65.5 -42.6 13.4 105.6 54.1 105 105 A V H X S+ 0 0 2 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.905 111.8 49.4 -61.7 -41.4 12.5 103.0 56.7 106 106 A T H X S+ 0 0 6 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.911 110.6 49.0 -65.4 -41.3 15.5 104.2 58.7 107 107 A R H X S+ 0 0 76 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.889 109.9 52.6 -64.7 -41.4 14.4 107.9 58.5 108 108 A D H X S+ 0 0 12 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.902 112.5 43.9 -62.3 -42.1 10.9 107.0 59.5 109 109 A L H X S+ 0 0 1 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.869 111.9 52.0 -69.8 -41.2 12.1 105.2 62.6 110 110 A M H X S+ 0 0 26 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.891 111.7 48.5 -62.4 -40.0 14.6 107.9 63.6 111 111 A E H X S+ 0 0 95 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.911 112.1 47.7 -65.3 -45.7 11.8 110.4 63.3 112 112 A A H X S+ 0 0 24 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.854 111.0 51.9 -65.9 -35.6 9.4 108.4 65.4 113 113 A R H X>S+ 0 0 4 -4,-2.3 5,-1.2 2,-0.2 4,-0.5 0.875 109.8 48.6 -69.8 -38.8 12.1 107.8 68.0 114 114 A E H ><5S+ 0 0 160 -4,-1.8 3,-1.0 1,-0.2 -2,-0.2 0.923 108.8 53.1 -67.3 -42.4 12.8 111.5 68.3 115 115 A A H 3<5S+ 0 0 89 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.870 109.7 48.1 -59.4 -41.0 9.2 112.4 68.6 116 116 A C H 3<5S- 0 0 49 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.546 108.3-126.2 -77.4 -9.9 8.6 110.0 71.5 117 117 A G T <<5 + 0 0 61 -3,-1.0 -3,-0.2 -4,-0.5 -2,-0.1 0.649 49.2 160.8 75.7 14.8 11.7 111.2 73.3 118 118 A A < - 0 0 18 -5,-1.2 2,-0.3 1,-0.1 -1,-0.2 -0.334 47.7 -95.2 -68.2 152.6 13.4 107.8 73.7 119 119 A T E +f 29 0B 66 -91,-0.6 -89,-1.7 2,-0.0 2,-0.4 -0.544 47.2 167.4 -75.4 127.6 17.2 108.0 74.5 120 120 A T E -f 30 0B 39 -2,-0.3 2,-0.7 -91,-0.2 -89,-0.2 -0.981 17.1-160.9-137.3 124.9 19.6 107.7 71.6 121 121 A V E -f 31 0B 12 -91,-3.2 -89,-2.9 -2,-0.4 3,-0.5 -0.910 10.4-167.0-110.1 108.0 23.3 108.5 72.0 122 122 A Y S S+ 0 0 42 -2,-0.7 -87,-0.2 1,-0.2 -89,-0.2 -0.461 72.0 29.1 -86.7 162.2 25.1 109.1 68.7 123 123 A Q S S+ 0 0 120 -89,-1.7 2,-1.0 -91,-0.4 21,-0.4 0.868 74.7 165.5 54.6 37.3 28.9 109.2 68.5 124 124 A A - 0 0 1 -92,-2.3 3,-0.4 -3,-0.5 -1,-0.2 -0.795 26.3-154.2 -83.4 104.8 29.0 106.8 71.4 125 125 A A E +B 142 0A 30 17,-3.1 17,-2.2 -2,-1.0 -91,-0.0 -0.487 56.1 4.8 -88.0 157.7 32.7 105.9 71.1 126 126 A E E S- 0 0 82 15,-0.2 2,-0.2 -2,-0.2 -1,-0.2 0.853 77.4-163.1 40.3 57.5 34.6 102.8 72.1 127 127 A V E - 0 0 13 -3,-0.4 2,-0.4 14,-0.1 14,-0.2 -0.521 9.1-174.0 -69.4 131.9 31.5 100.9 73.3 128 128 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A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.922 107.0 50.2 -59.1 -46.4 17.8 82.1 59.0 337 337 A W H X S+ 0 0 94 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.882 111.3 47.7 -63.8 -36.1 18.9 78.8 57.6 338 338 A K H X S+ 0 0 117 -4,-1.3 4,-2.4 -5,-0.3 -1,-0.2 0.894 113.7 47.1 -71.8 -37.1 16.0 78.6 55.1 339 339 A A H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.845 112.5 50.9 -68.5 -37.5 16.6 82.2 54.0 340 340 A E H X S+ 0 0 7 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.903 110.2 49.1 -64.7 -44.5 20.3 81.4 53.7 341 341 A R H X S+ 0 0 109 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.950 113.0 47.5 -61.4 -46.5 19.5 78.4 51.6 342 342 A F H X S+ 0 0 2 -4,-2.4 4,-2.9 1,-0.2 5,-0.2 0.936 113.4 47.0 -59.0 -48.4 17.2 80.5 49.3 343 343 A S H X S+ 0 0 0 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.835 112.4 50.7 -62.5 -36.1 19.7 83.3 48.9 344 344 A W H X S+ 0 0 123 -4,-2.1 4,-2.8 2,-0.2 -2,-0.2 0.961 111.8 47.7 -66.0 -48.0 22.4 80.8 48.1 345 345 A W H X S+ 0 0 20 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.931 112.6 47.2 -59.5 -50.2 20.2 79.1 45.5 346 346 A M H X S+ 0 0 2 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.911 112.9 51.4 -57.8 -44.5 19.2 82.5 43.9 347 347 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.2 -2,-0.2 0.948 108.9 49.0 -60.1 -45.6 22.8 83.5 43.9 348 348 A S H < S+ 0 0 32 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.749 114.7 43.3 -70.0 -25.6 24.1 80.3 42.2 349 349 A V H < S+ 0 0 3 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.742 117.6 42.8 -92.1 -20.4 21.5 80.3 39.4 350 350 A L H < S+ 0 0 0 -4,-1.7 -146,-0.3 -5,-0.2 2,-0.3 0.658 103.0 69.5 -97.7 -18.5 21.7 84.0 38.5 351 351 A H S < S- 0 0 0 -4,-1.6 2,-0.6 -5,-0.2 -148,-0.1 -0.690 75.5-122.4-103.6 157.9 25.4 84.7 38.6 352 352 A R - 0 0 65 -2,-0.3 -144,-0.1 -148,-0.1 -3,-0.1 -0.830 26.6-153.6 -99.5 119.1 28.3 83.7 36.4 353 353 A F > - 0 0 58 -2,-0.6 3,-0.9 -5,-0.1 -170,-0.0 -0.734 11.9-133.7 -92.3 142.1 31.1 81.9 38.3 354 354 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.913 97.5 47.3 -61.3 -49.5 34.7 82.0 37.1 355 355 A D T 3 S+ 0 0 140 2,-0.0 2,-0.3 0, 0.0 -2,-0.0 0.150 80.5 148.8 -83.7 24.8 35.9 78.4 37.3 356 356 A T < - 0 0 45 -3,-0.9 2,-0.1 4,-0.1 -4,-0.0 -0.406 32.8-155.1 -69.5 121.9 32.8 77.0 35.6 357 357 A D > - 0 0 95 -2,-0.3 4,-1.6 1,-0.1 3,-0.1 -0.395 34.5 -99.3 -85.3 167.4 33.1 73.8 33.5 358 358 A A H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.873 119.2 55.9 -55.9 -44.3 30.6 72.9 30.7 359 359 A F H > S+ 0 0 143 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.948 108.0 48.4 -54.3 -49.9 28.5 70.5 32.7 360 360 A S H > S+ 0 0 57 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.852 107.9 53.9 -60.5 -39.3 27.8 73.2 35.5 361 361 A Q H X S+ 0 0 92 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.931 111.6 46.1 -60.7 -45.9 26.8 75.9 33.0 362 362 A R H X S+ 0 0 155 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.870 111.7 50.9 -64.5 -38.4 24.3 73.5 31.5 363 363 A I H X S+ 0 0 77 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.930 109.9 51.0 -65.2 -38.2 23.0 72.5 34.9 364 364 A Q H X S+ 0 0 23 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.876 110.9 47.6 -63.9 -40.3 22.6 76.2 35.8 365 365 A Q H X S+ 0 0 61 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.909 112.2 50.5 -68.9 -38.7 20.7 76.9 32.6 366 366 A T H X S+ 0 0 68 -4,-2.1 4,-3.1 2,-0.2 5,-0.2 0.829 103.4 58.0 -70.6 -33.2 18.5 73.8 33.3 367 367 A E H X S+ 0 0 59 -4,-2.2 4,-3.0 2,-0.2 5,-0.3 0.948 110.2 45.7 -59.5 -49.1 17.7 74.9 36.9 368 368 A L H X S+ 0 0 2 -4,-1.5 4,-2.8 1,-0.2 5,-0.3 0.966 113.0 48.7 -58.3 -51.7 16.3 78.0 35.4 369 369 A E H X S+ 0 0 81 -4,-2.5 4,-0.6 1,-0.2 -2,-0.2 0.879 117.4 41.8 -57.3 -41.1 14.4 76.2 32.7 370 370 A Y H >X S+ 0 0 127 -4,-3.1 3,-1.0 2,-0.2 4,-0.9 0.979 117.2 43.6 -71.1 -58.3 12.9 73.8 35.2 371 371 A Y H 3< S+ 0 0 60 -4,-3.0 3,-0.4 1,-0.2 -2,-0.2 0.855 117.5 46.7 -57.7 -36.1 12.1 76.1 38.1 372 372 A L H 3< S+ 0 0 6 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.582 116.2 43.5 -82.5 -11.5 10.6 78.8 35.8 373 373 A G H << S+ 0 0 53 -3,-1.0 2,-0.4 -4,-0.6 -1,-0.2 0.411 98.6 77.0-114.9 1.6 8.5 76.4 33.7 374 374 A S X - 0 0 29 -4,-0.9 4,-3.2 -3,-0.4 5,-0.2 -0.942 70.0-140.3-114.1 137.6 7.0 74.1 36.4 375 375 A E H > S+ 0 0 109 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.873 109.0 45.9 -60.0 -39.3 4.1 75.2 38.6 376 376 A A H > S+ 0 0 64 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.897 112.7 50.9 -70.4 -39.3 5.7 73.5 41.6 377 377 A G H >> S+ 0 0 1 -7,-0.2 4,-1.6 1,-0.2 3,-0.6 0.964 110.1 49.0 -62.4 -49.1 9.1 75.0 40.7 378 378 A L H 3X S+ 0 0 20 -4,-3.2 4,-2.9 1,-0.2 -1,-0.2 0.873 107.7 56.0 -58.3 -37.6 7.6 78.6 40.5 379 379 A A H 3X S+ 0 0 30 -4,-1.7 4,-2.6 -5,-0.2 5,-0.3 0.832 102.2 55.1 -67.2 -30.6 5.8 78.0 43.8 380 380 A T H