==== 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 27-SEP-94 1PXB . COMPND 2 MOLECULE: P-HYDROXYBENZOATE HYDROXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR M.S.LAH,B.A.PALFEY,H.A.SCHREUDER,M.L.LUDWIG . 394 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17667.0 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 . 27 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 8.4 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 . 6 1.5 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 1 1 1 0 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 3 2 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 0 109 0, 0.0 150,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 139.6 23.0 105.8 83.6 2 2 A K B +a 151 0A 183 148,-0.2 2,-0.3 136,-0.0 150,-0.2 -0.983 360.0 159.9-143.9 144.3 20.5 103.1 83.6 3 3 A T - 0 0 16 148,-2.7 150,-0.2 -2,-0.3 3,-0.2 -0.911 39.2-122.7-144.1 176.2 18.0 101.4 81.2 4 4 A Q S S+ 0 0 53 1,-0.3 149,-2.1 23,-0.3 150,-1.7 0.897 99.0 18.4 -88.1 -62.9 16.1 98.2 80.7 5 5 A V E S-de 28 154B 0 22,-2.5 24,-1.6 148,-0.2 2,-0.4 -0.913 71.1-155.7-107.7 118.4 17.3 97.0 77.2 6 6 A A E -de 29 155B 0 148,-2.5 150,-2.6 -2,-0.6 2,-0.4 -0.825 11.9-159.7 -81.9 136.3 20.5 98.5 75.9 7 7 A I E -de 30 156B 0 22,-2.7 24,-2.5 -2,-0.4 2,-0.7 -0.980 6.9-151.0-121.8 124.3 20.6 98.3 72.0 8 8 A I E +de 31 157B 8 148,-2.9 150,-2.1 -2,-0.4 24,-0.2 -0.862 67.1 26.8 -98.8 115.9 24.0 98.6 70.1 9 9 A G - 0 0 6 22,-3.4 23,-0.2 -2,-0.7 150,-0.1 0.439 56.8-141.1 109.4 121.5 23.4 100.1 66.7 10 10 A A + 0 0 0 4,-0.2 -1,-0.1 20,-0.1 149,-0.1 -0.199 63.3 115.0-107.2 46.6 20.9 102.5 65.1 11 11 A G S > S- 0 0 16 147,-0.5 4,-2.3 29,-0.0 5,-0.3 -0.451 94.1 -72.6 -88.5-177.7 20.5 100.9 61.7 12 12 A P H > S+ 0 0 19 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.883 132.0 55.1 -47.9 -50.1 17.0 99.4 60.9 13 13 A S H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.945 113.6 38.6 -47.1 -58.1 17.4 96.4 63.4 14 14 A G H > S+ 0 0 0 144,-0.5 4,-2.8 1,-0.2 5,-0.2 0.943 118.1 49.0 -63.9 -47.1 18.2 98.6 66.5 15 15 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.899 114.0 44.6 -62.3 -40.9 15.7 101.3 65.6 16 16 A L H X S+ 0 0 4 -4,-2.8 4,-2.4 -5,-0.3 5,-0.3 0.944 115.2 47.2 -73.3 -41.8 12.8 99.0 64.9 17 17 A L H X S+ 0 0 0 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.968 113.9 50.2 -58.0 -46.0 13.5 96.8 68.1 18 18 A G H X S+ 0 0 0 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.894 111.1 49.0 -56.4 -43.9 13.8 100.1 70.0 19 19 A Q H X S+ 0 0 6 -4,-2.3 4,-2.1 -5,-0.2 -1,-0.2 0.936 110.4 47.5 -64.7 -51.7 10.5 101.4 68.6 20 20 A L H X S+ 0 0 2 -4,-2.4 4,-1.2 2,-0.2 -2,-0.2 0.961 113.7 49.5 -52.4 -49.9 8.4 98.3 69.3 21 21 A L H >X>S+ 0 0 0 -4,-2.3 5,-2.0 -5,-0.3 4,-0.7 0.925 108.1 51.9 -60.1 -46.5 9.8 98.1 72.9 22 22 A H H ><5S+ 0 0 57 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.938 106.9 53.3 -54.9 -49.6 9.1 101.8 73.7 23 23 A K H 3<5S+ 0 0 124 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.738 108.9 49.6 -60.7 -26.6 5.5 101.4 72.6 24 24 A A H <<5S- 0 0 37 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.488 122.1-108.5 -89.4 -5.2 5.1 98.5 74.9 25 25 A G T <<5S+ 0 0 52 -3,-1.7 2,-0.8 -4,-0.7 -3,-0.2 0.516 75.9 133.3 99.4 7.1 6.6 100.5 77.8 26 26 A I < - 0 0 7 -5,-2.0 -1,-0.3 -6,-0.2 -2,-0.1 -0.754 54.5-130.7 -93.6 100.2 9.9 98.7 78.0 27 27 A D + 0 0 90 -2,-0.8 -22,-2.5 -3,-0.1 2,-0.3 -0.235 32.4 172.1 -63.4 146.7 12.6 101.4 78.2 28 28 A N E -d 5 0B 7 -24,-0.2 91,-0.5 -25,-0.1 2,-0.4 -0.995 23.8-147.9-154.7 143.6 15.7 101.2 76.0 29 29 A V E -df 6 119B 4 -24,-1.6 -22,-2.7 -2,-0.3 2,-0.5 -0.968 14.0-148.2-113.7 133.9 18.7 103.2 75.0 30 30 A I E -df 7 120B 0 89,-2.3 91,-3.0 -2,-0.4 2,-0.5 -0.848 8.3-162.6 -99.7 129.9 20.3 103.0 71.5 31 31 A L E -df 8 121B 2 -24,-2.5 -22,-3.4 -2,-0.5 2,-0.4 -0.952 10.9-179.6-105.0 132.0 24.1 103.5 71.1 32 32 A E - 0 0 20 89,-2.9 92,-1.9 -2,-0.5 91,-0.1 -0.981 26.0-151.7-133.4 128.9 25.5 104.4 67.6 33 33 A R S S+ 0 0 150 -2,-0.4 2,-0.1 90,-0.2 -1,-0.1 0.820 79.6 54.4 -61.6 -34.7 29.2 105.0 66.5 34 34 A Q S S- 0 0 60 1,-0.1 89,-1.3 89,-0.1 90,-0.2 -0.401 89.1 -95.7-101.4 173.2 28.3 107.3 63.6 35 35 A T > - 0 0 39 87,-0.2 4,-1.8 -2,-0.1 5,-0.2 -0.482 40.5-107.0 -76.4 156.8 26.3 110.5 63.0 36 36 A P H > S+ 0 0 46 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.884 121.0 54.9 -43.9 -42.1 22.6 110.3 61.8 37 37 A D H > S+ 0 0 128 2,-0.2 4,-1.1 1,-0.2 -3,-0.0 0.966 104.2 51.8 -64.7 -45.2 23.9 111.5 58.3 38 38 A Y H >4 S+ 0 0 129 1,-0.2 3,-1.4 2,-0.2 4,-0.4 0.957 112.2 47.5 -56.6 -50.2 26.4 108.6 58.0 39 39 A V H >< S+ 0 0 8 -4,-1.8 3,-1.2 1,-0.3 -1,-0.2 0.916 111.7 49.3 -58.0 -43.0 23.6 106.1 58.8 40 40 A L H 3< S+ 0 0 51 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.645 97.3 70.6 -75.6 -10.3 21.2 107.7 56.3 41 41 A G T << S+ 0 0 51 -3,-1.4 2,-0.4 -4,-1.1 -1,-0.2 0.632 74.5 100.0 -80.2 -10.0 23.7 107.7 53.4 42 42 A R < - 0 0 75 -3,-1.2 61,-0.0 -4,-0.4 -3,-0.0 -0.606 53.9-168.3 -79.2 129.1 23.6 104.0 53.0 43 43 A I + 0 0 25 -2,-0.4 59,-0.6 59,-0.1 60,-0.5 0.960 35.1 132.6 -86.2 -49.0 21.4 102.9 50.2 44 44 A R + 0 0 119 58,-0.1 -1,-0.1 57,-0.1 59,-0.0 -0.039 47.5 39.5 43.4-130.7 21.1 99.1 50.7 45 45 A A + 0 0 26 1,-0.1 57,-2.3 56,-0.1 58,-0.2 -0.090 36.8 166.1 -60.3 144.7 17.7 97.4 50.5 46 46 A G + 0 0 9 55,-0.2 54,-2.1 1,-0.1 2,-0.4 0.682 57.4 73.4-125.2 -29.6 14.8 97.9 48.3 47 47 A V E -I 99 0C 13 52,-0.2 2,-0.5 50,-0.0 52,-0.2 -0.757 57.2-165.9 -98.8 131.6 12.4 94.9 48.7 48 48 A L E -I 98 0C 0 50,-2.5 50,-3.0 -2,-0.4 249,-0.1 -0.955 15.5-131.6-125.3 127.4 10.3 94.3 51.7 49 49 A E > - 0 0 4 -2,-0.5 4,-2.0 48,-0.2 3,-0.5 -0.189 27.2-116.2 -62.6 155.2 8.4 91.2 52.9 50 50 A Q H > S+ 0 0 60 336,-0.6 4,-2.2 46,-0.5 5,-0.2 0.871 118.1 61.5 -62.8 -27.2 4.8 91.5 53.9 51 51 A G H > S+ 0 0 22 335,-0.4 4,-1.0 1,-0.2 -1,-0.2 0.854 104.3 45.1 -64.8 -42.8 6.1 90.4 57.3 52 52 A M H > S+ 0 0 2 -3,-0.5 4,-2.1 2,-0.2 5,-0.2 0.819 109.5 57.0 -64.0 -41.8 8.3 93.5 57.6 53 53 A V H X S+ 0 0 15 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.938 107.8 48.1 -60.1 -38.2 5.3 95.7 56.4 54 54 A D H X S+ 0 0 59 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.852 109.4 52.5 -71.5 -31.0 3.1 94.4 59.3 55 55 A L H X S+ 0 0 4 -4,-1.0 4,-2.4 2,-0.2 6,-0.2 0.935 107.3 50.4 -69.6 -49.4 5.9 95.0 61.8 56 56 A L H <>S+ 0 0 4 -4,-2.1 5,-2.0 2,-0.2 -2,-0.2 0.938 112.9 48.9 -56.3 -39.8 6.4 98.7 60.8 57 57 A R H ><5S+ 0 0 134 -4,-1.9 3,-2.3 -5,-0.2 -2,-0.2 0.975 109.1 51.7 -64.4 -43.9 2.6 99.0 61.1 58 58 A E H 3<5S+ 0 0 75 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.866 109.2 51.2 -57.3 -34.1 2.8 97.3 64.6 59 59 A A T 3<5S- 0 0 1 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.384 116.3-117.9 -84.2 0.9 5.4 99.9 65.5 60 60 A G T < 5S+ 0 0 54 -3,-2.3 2,-0.3 -5,-0.2 3,-0.3 0.555 83.0 114.2 73.5 14.8 3.1 102.8 64.3 61 61 A V < + 0 0 16 -5,-2.0 4,-0.2 -6,-0.2 -4,-0.2 -0.335 36.0 96.9-116.0 55.1 5.6 103.8 61.6 62 62 A D > + 0 0 42 -2,-0.3 4,-2.9 -5,-0.2 5,-0.3 0.379 41.8 107.9-121.7 16.2 3.8 103.2 58.3 63 63 A R H > S+ 0 0 166 -3,-0.3 4,-1.3 1,-0.2 5,-0.1 0.979 93.3 31.9 -59.6 -57.4 2.3 106.6 57.2 64 64 A R H >>S+ 0 0 50 1,-0.2 4,-3.5 2,-0.2 5,-0.7 0.925 117.4 57.2 -67.4 -38.1 4.8 107.2 54.4 65 65 A M H >5S+ 0 0 8 1,-0.3 4,-1.5 2,-0.2 -1,-0.2 0.923 108.0 45.6 -63.3 -41.4 5.3 103.5 53.6 66 66 A A H <5S+ 0 0 80 -4,-2.9 -1,-0.3 2,-0.1 -2,-0.2 0.795 120.8 44.0 -69.0 -24.8 1.6 103.0 52.9 67 67 A R H <5S+ 0 0 131 -4,-1.3 -2,-0.2 -5,-0.3 -3,-0.2 0.971 130.0 16.3 -77.4 -58.3 1.7 106.2 50.9 68 68 A D H <5S+ 0 0 70 -4,-3.5 -3,-0.2 -5,-0.1 -2,-0.1 0.582 95.4 103.2 -95.5 -24.2 4.9 105.9 48.8 69 69 A G << - 0 0 14 -4,-1.5 2,-0.6 -5,-0.7 31,-0.2 -0.362 66.6-131.7 -61.7 146.5 5.9 102.3 49.0 70 70 A L E -J 99 0C 50 29,-2.6 29,-2.9 144,-0.2 2,-0.4 -0.859 9.9-143.0-100.5 118.7 5.1 100.2 45.8 71 71 A V E -J 98 0C 93 -2,-0.6 2,-0.4 27,-0.2 27,-0.3 -0.657 20.6-159.0 -72.9 123.2 3.3 96.8 46.3 72 72 A H E -J 97 0C 10 25,-3.5 25,-2.2 -2,-0.4 126,-0.1 -0.913 19.3-175.0-103.8 136.9 4.7 94.3 43.7 73 73 A E + 0 0 87 -2,-0.4 16,-1.5 23,-0.2 15,-0.9 0.404 69.7 15.1-105.2 -0.4 2.8 91.2 42.5 74 74 A G E -K 87 0D 0 13,-0.2 125,-0.4 14,-0.2 2,-0.3 -0.971 55.9-153.0-163.0 161.3 5.5 89.6 40.3 75 75 A V E -K 86 0D 5 11,-1.1 11,-2.4 -2,-0.3 2,-0.3 -0.938 22.2-128.1-134.0 159.6 9.2 89.7 39.4 76 76 A E E -Kl 85 200D 22 123,-3.2 125,-2.9 -2,-0.3 2,-0.4 -0.854 11.5-160.8-114.5 147.5 10.9 88.7 36.1 77 77 A I E -Kl 84 201D 6 7,-2.5 7,-3.0 -2,-0.3 2,-0.5 -0.995 9.5-165.9-125.1 128.4 13.8 86.4 35.4 78 78 A A E +Kl 83 202D 4 123,-2.4 125,-3.1 -2,-0.4 2,-0.3 -0.962 21.0 144.7-116.4 129.3 15.6 86.6 32.1 79 79 A F E > +K 82 0D 8 3,-1.8 3,-2.1 -2,-0.5 125,-0.1 -0.954 65.3 9.6-153.5 145.7 18.0 84.0 30.8 80 80 A A T 3 S- 0 0 72 123,-0.4 3,-0.1 1,-0.3 124,-0.1 0.919 129.4 -55.9 52.5 43.7 18.9 82.8 27.1 81 81 A G T 3 S+ 0 0 72 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.333 115.5 114.6 72.4 -12.3 16.8 85.5 25.4 82 82 A Q E < -K 79 0D 67 -3,-2.1 -3,-1.8 2,-0.0 2,-0.4 -0.642 50.6-159.0 -93.1 148.1 13.7 84.5 27.4 83 83 A R E -K 78 0D 87 -2,-0.2 2,-0.5 -5,-0.2 -5,-0.2 -0.990 12.4-174.0-120.5 116.4 11.9 86.6 30.0 84 84 A R E -K 77 0D 84 -7,-3.0 -7,-2.5 -2,-0.4 2,-0.4 -0.958 11.8-149.2-118.3 119.7 9.7 84.5 32.4 85 85 A R E -K 76 0D 109 -2,-0.5 2,-0.6 -9,-0.2 -9,-0.2 -0.793 4.0-148.8 -84.4 132.2 7.4 86.4 34.9 86 86 A I E -K 75 0D 1 -11,-2.4 2,-1.3 -2,-0.4 -11,-1.1 -0.908 10.8-144.4 -98.2 116.9 6.7 84.7 38.3 87 87 A D E > -K 74 0D 44 -2,-0.6 4,-2.7 -13,-0.2 -13,-0.2 -0.731 19.2-174.6 -82.2 98.2 3.2 85.8 39.4 88 88 A L H > S+ 0 0 0 -2,-1.3 4,-2.1 -15,-0.9 6,-0.3 0.908 78.7 51.8 -62.7 -42.1 4.0 85.9 43.2 89 89 A K H >>S+ 0 0 82 -16,-1.5 5,-3.3 2,-0.2 4,-0.9 0.983 114.6 41.3 -61.9 -54.7 0.4 86.6 44.2 90 90 A R H >45S+ 0 0 146 -17,-0.3 3,-0.6 1,-0.2 -2,-0.2 0.953 121.0 43.8 -56.1 -49.7 -1.1 83.7 42.2 91 91 A L H 3<5S+ 0 0 23 -4,-2.7 292,-0.2 1,-0.2 -1,-0.2 0.650 115.5 42.7 -79.8 -15.1 1.8 81.3 43.3 92 92 A S H 3<5S- 0 0 27 -4,-2.1 -1,-0.2 -3,-0.5 -2,-0.2 0.465 119.2 -98.6-106.3 0.5 2.2 82.1 47.0 93 93 A G T <<5S- 0 0 70 -4,-0.9 -3,-0.2 -3,-0.6 -4,-0.1 0.876 84.4 -40.8 82.7 41.4 -1.5 82.2 47.8 94 94 A G S - 0 0 1 113,-0.3 4,-1.9 -2,-0.3 -55,-0.2 -0.107 14.8-123.1 -63.2 160.5 14.1 101.8 50.2 102 102 A Q H > S+ 0 0 18 -57,-2.3 4,-2.4 -59,-0.6 5,-0.2 0.847 110.1 59.9 -73.7 -30.3 16.1 101.2 53.3 103 103 A T H > S+ 0 0 29 -60,-0.5 4,-2.3 -58,-0.2 -1,-0.2 0.918 107.5 48.8 -57.8 -42.0 17.1 104.9 53.6 104 104 A E H > S+ 0 0 46 -3,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.947 109.4 48.2 -70.1 -51.6 13.4 105.7 53.9 105 105 A V H X S+ 0 0 2 -4,-1.9 4,-2.0 2,-0.2 5,-0.2 0.931 113.7 49.7 -49.7 -47.7 12.5 103.0 56.5 106 106 A T H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.931 110.4 50.2 -64.0 -38.5 15.5 104.3 58.6 107 107 A R H X S+ 0 0 71 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.900 109.4 51.5 -65.3 -39.4 14.4 107.9 58.3 108 108 A D H X S+ 0 0 12 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.830 113.8 42.3 -65.7 -38.9 10.9 107.1 59.3 109 109 A L H X S+ 0 0 2 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.833 111.2 55.2 -78.9 -35.7 12.0 105.3 62.4 110 110 A M H X S+ 0 0 29 -4,-2.4 4,-1.6 -5,-0.2 -2,-0.2 0.960 113.9 42.7 -59.9 -45.7 14.6 107.9 63.2 111 111 A E H X S+ 0 0 91 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.924 113.9 50.5 -61.5 -46.8 11.8 110.5 63.1 112 112 A A H X S+ 0 0 21 -4,-2.1 4,-1.3 1,-0.2 -2,-0.2 0.906 110.2 49.9 -63.3 -35.5 9.4 108.3 65.0 113 113 A R H <>S+ 0 0 4 -4,-2.7 5,-1.5 2,-0.2 4,-0.3 0.851 111.0 50.2 -71.7 -33.2 12.0 107.6 67.8 114 114 A E H ><5S+ 0 0 154 -4,-1.6 3,-1.5 -5,-0.2 -2,-0.2 0.965 107.9 51.6 -73.3 -46.2 12.8 111.4 68.2 115 115 A A H 3<5S+ 0 0 84 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.828 109.0 49.3 -51.7 -45.5 9.1 112.4 68.5 116 116 A C T 3<5S- 0 0 70 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.499 113.0-121.3 -81.1 -4.2 8.4 110.0 71.2 117 117 A G T < 5 + 0 0 61 -3,-1.5 -3,-0.2 -4,-0.3 -2,-0.1 0.626 52.1 160.2 80.3 16.5 11.5 111.2 73.2 118 118 A A < - 0 0 19 -5,-1.5 2,-0.4 1,-0.1 -1,-0.2 -0.337 45.2 -93.8 -73.9 156.1 13.4 107.9 73.4 119 119 A T E +f 29 0B 64 -91,-0.5 -89,-2.3 -2,-0.1 2,-0.4 -0.526 45.8 165.2 -83.2 126.8 17.1 107.8 74.1 120 120 A T E -f 30 0B 41 -2,-0.4 2,-0.8 -91,-0.2 -89,-0.2 -0.969 16.7-164.8-136.3 116.2 19.6 107.7 71.3 121 121 A V E > -f 31 0B 15 -91,-3.0 -89,-2.9 -2,-0.4 3,-0.5 -0.836 11.2-172.6-101.7 103.3 23.4 108.4 71.6 122 122 A Y T 3 + 0 0 40 -2,-0.8 -87,-0.2 1,-0.2 -89,-0.2 -0.322 69.2 34.7 -77.6 167.5 25.1 109.0 68.3 123 123 A Q T 3 S+ 0 0 126 -89,-1.3 2,-1.0 1,-0.2 21,-0.3 0.650 72.7 161.1 49.8 29.1 28.9 109.3 68.2 124 124 A A < - 0 0 0 -92,-1.9 3,-0.4 -3,-0.5 -1,-0.2 -0.575 26.6-155.7 -73.9 100.5 29.3 106.8 71.0 125 125 A A E +B 142 0A 30 17,-2.8 17,-2.0 -2,-1.0 -91,-0.0 -0.416 58.4 5.5 -82.1 157.3 32.9 105.9 70.5 126 126 A E E S- 0 0 86 15,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.789 74.6-162.1 45.6 51.2 34.6 102.6 71.6 127 127 A V E - 0 0 12 -3,-0.4 2,-0.3 14,-0.1 14,-0.2 -0.488 9.2-173.6 -69.3 127.4 31.6 100.7 72.9 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-3,-0.5 -1,-0.2 4,-0.0 2,-0.0 -0.844 30.0-135.6 -95.1 114.2 32.9 76.5 35.5 357 357 A D > - 0 0 99 -2,-0.7 4,-1.7 -3,-0.1 3,-0.5 -0.271 28.0 -98.3 -69.6 167.4 33.1 73.5 33.4 358 358 A A H > S+ 0 0 78 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.866 120.4 56.8 -56.1 -36.3 30.7 72.8 30.4 359 359 A F H > S+ 0 0 143 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.899 105.9 46.6 -64.9 -47.5 28.5 70.5 32.5 360 360 A S H > S+ 0 0 54 -3,-0.5 4,-2.6 2,-0.2 5,-0.2 0.915 109.5 55.2 -65.7 -34.8 27.8 73.0 35.4 361 361 A Q H X S+ 0 0 90 -4,-1.7 4,-2.6 1,-0.2 -2,-0.2 0.981 111.1 45.8 -60.1 -48.9 26.9 75.8 32.9 362 362 A R H X S+ 0 0 162 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.868 111.5 50.0 -64.6 -37.2 24.4 73.4 31.4 363 363 A I H X S+ 0 0 80 -4,-2.5 4,-3.1 2,-0.2 5,-0.2 0.900 110.2 53.2 -67.0 -31.9 22.9 72.3 34.8 364 364 A Q H X S+ 0 0 40 -4,-2.6 4,-2.0 2,-0.2 5,-0.2 0.966 109.7 46.3 -67.0 -42.3 22.6 76.0 35.6 365 365 A Q H X S+ 0 0 75 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.964 113.4 50.1 -63.7 -42.8 20.7 76.7 32.4 366 366 A T H X S+ 0 0 66 -4,-2.3 4,-2.8 2,-0.2 5,-0.3 0.890 104.9 56.6 -69.0 -36.3 18.5 73.6 33.2 367 367 A E H X S+ 0 0 57 -4,-3.1 4,-2.9 2,-0.2 5,-0.4 0.979 111.4 45.2 -52.5 -47.0 17.8 74.7 36.8 368 368 A L H X S+ 0 0 4 -4,-2.0 4,-1.8 -5,-0.2 5,-0.2 0.975 113.8 47.9 -68.1 -43.2 16.4 77.9 35.4 369 369 A E H X S+ 0 0 82 -4,-2.7 4,-0.8 -5,-0.2 -1,-0.2 0.866 116.4 43.8 -64.4 -37.4 14.4 76.1 32.7 370 370 A Y H >X S+ 0 0 122 -4,-2.8 4,-1.2 2,-0.2 3,-0.5 0.952 115.2 44.0 -72.5 -50.4 12.9 73.6 35.1 371 371 A Y H 3< S+ 0 0 60 -4,-2.9 3,-0.2 -5,-0.3 10,-0.2 0.928 119.2 45.4 -68.2 -28.8 12.0 76.0 38.1 372 372 A L H 3< S+ 0 0 9 -4,-1.8 -1,-0.2 -5,-0.4 -2,-0.2 0.645 115.0 45.2 -80.8 -20.9 10.5 78.6 35.6 373 373 A G H << S+ 0 0 54 -4,-0.8 2,-0.4 -3,-0.5 -1,-0.2 0.549 100.9 74.8-103.7 -7.1 8.6 76.1 33.4 374 374 A S S X S- 0 0 29 -4,-1.2 4,-3.2 -3,-0.2 5,-0.3 -0.924 71.3-140.4-106.3 128.4 6.9 74.0 36.2 375 375 A E H > S+ 0 0 102 -2,-0.4 4,-1.7 1,-0.2 -1,-0.1 0.863 110.7 45.9 -50.1 -34.9 4.0 75.1 38.4 376 376 A A H > S+ 0 0 63 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.886 112.3 49.6 -79.3 -35.3 5.7 73.4 41.3 377 377 A G H > S+ 0 0 1 -7,-0.2 4,-1.4 1,-0.2 3,-0.4 0.975 111.0 50.2 -65.1 -46.4 9.0 74.9 40.4 378 378 A L H X S+ 0 0 22 -4,-3.2 4,-2.2 1,-0.2 -2,-0.2 0.879 107.9 54.7 -61.8 -33.9 7.4 78.4 40.2 379 379 A A H X S+ 0 0 27 -4,-1.7 4,-2.7 -5,-0.3 5,-0.4 0.873 103.1 54.0 -75.2 -28.4 5.8 78.0 43.6 380 380 A T H X S+ 0 0 54 -4,-1.5 4,-1.0 -3,-0.4 -1,-0.2 0.897 112.0 43.8 -73.7 -36.4 9.0 77.2 45.4 381 381 A I H X S+ 0 0 5 -4,-1.4 4,-2.4 -10,-0.2 -2,-0.2 0.961 117.7 49.0 -64.1 -49.6 10.7 80.4 44.2 382 382 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.3 0.903 109.0 45.9 -62.2 -53.7 7.5 82.3 44.9 383 383 A E H X S+ 0 0 92 -4,-2.7 4,-1.3 -292,-0.2 -1,-0.2 0.896 118.4 47.3 -59.8 -31.2 6.7 81.2 48.5 384 384 A N H < S+ 0 0 14 -4,-1.0 4,-0.3 -5,-0.4 -2,-0.2 0.861 110.9 50.3 -77.1 -29.9 10.4 81.8 49.3 385 385 A Y H < S+ 0 0 6 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.911 113.0 43.6 -78.2 -43.4 10.6 85.2 47.6 386 386 A V H < S- 0 0 7 -4,-2.3 -336,-0.6 -5,-0.1 -335,-0.4 0.834 127.9 -98.9 -67.3 -28.5 7.5 86.6 49.4 387 387 A G < - 0 0 11 -4,-1.3 -3,-0.1 -5,-0.3 -2,-0.1 0.271 27.3 -99.2 117.0 119.3 8.9 85.1 52.6 388 388 A L - 0 0 42 -4,-0.3 -4,-0.0 1,-0.1 -49,-0.0 -0.219 59.5 -79.6 -56.7 150.7 8.1 81.9 54.4 389 389 A P - 0 0 100 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 -0.080 44.2-108.6 -56.6 155.7 5.8 82.3 57.5 390 390 A Y - 0 0 74 -3,-0.1 -3,-0.0 1,-0.1 -86,-0.0 -0.749 39.3-107.3 -83.8 132.4 6.9 83.6 60.9 391 391 A E - 0 0 90 -2,-0.4 2,-0.1 -60,-0.1 -1,-0.1 -0.167 25.3-117.0 -59.1 136.6 7.1 81.0 63.7 392 392 A E - 0 0 168 1,-0.1 -1,-0.1 2,-0.0 0, 0.0 -0.512 29.8-137.9 -61.1 148.2 4.6 80.9 66.6 393 393 A I 0 0 39 -2,-0.1 -1,-0.1 1,-0.1 -62,-0.1 0.924 360.0 360.0 -90.2 -39.8 6.4 81.6 69.9 394 394 A E 0 0 139 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.758 360.0 360.0-101.8 360.0 5.4 79.4 72.9