==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 04-AUG-10 3OA2 . COMPND 2 MOLECULE: WBPB; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR H.M.HOLDEN,J.B.THODEN . 1214 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 50924.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 872 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 136 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 9.7 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 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 . 0 0.0 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 . 57 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 153 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 353 29.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.0 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 7 4 0 0 0 0 13 7 2 1 4 0 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 8 8 4 0 0 4 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 4 0 0 0 0 10 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 8 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 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 0 147 0, 0.0 2,-0.4 0, 0.0 25,-0.2 0.000 360.0 360.0 360.0 -34.1 76.2 -9.8 27.7 2 2 A K - 0 0 85 23,-0.2 25,-2.5 19,-0.1 2,-0.5 -0.921 360.0-134.4-103.2 144.7 74.2 -9.1 30.9 3 3 A N E -a 27 0A 19 -2,-0.4 70,-2.7 68,-0.3 71,-2.0 -0.840 25.6-171.5 -97.0 128.6 71.1 -6.9 30.6 4 4 A F E -ab 28 74A 0 23,-3.0 25,-2.6 -2,-0.5 26,-1.2 -0.870 16.9-159.7-115.6 151.4 70.6 -4.1 33.2 5 5 A A E -ab 30 75A 0 69,-1.8 71,-3.3 -2,-0.3 2,-0.5 -0.950 14.4-150.0-117.1 153.5 67.9 -1.6 34.1 6 6 A L E > -ab 31 76A 0 24,-1.8 26,-2.5 -2,-0.3 3,-0.5 -0.985 4.6-161.9-128.7 117.5 68.7 1.5 36.1 7 7 A I E 3 S+ab 32 77A 3 69,-2.9 71,-3.0 -2,-0.5 26,-0.2 -0.879 82.8 26.2 -98.9 131.3 66.2 3.1 38.5 8 8 A G T > S+ 0 0 9 24,-2.8 3,-1.7 -2,-0.5 6,-0.3 0.698 77.7 157.6 87.1 26.5 66.9 6.7 39.5 9 9 A A T < + 0 0 0 23,-1.3 24,-0.2 -3,-0.5 9,-0.1 0.596 61.1 57.6 -64.3 -18.8 68.9 7.1 36.2 10 10 A A T 3 S+ 0 0 19 22,-0.2 -1,-0.3 25,-0.1 23,-0.1 0.413 91.3 95.9 -91.7 2.0 68.6 11.0 36.1 11 11 A G S < S- 0 0 23 -3,-1.7 68,-0.1 67,-0.1 647,-0.0 -0.051 88.2 -88.9 -92.4-172.0 70.3 11.7 39.5 12 12 A Y S S+ 0 0 157 1,-0.2 4,-0.2 2,-0.1 -3,-0.0 0.912 120.3 34.9 -65.2 -49.4 73.7 12.5 40.8 13 13 A I S >> S+ 0 0 38 1,-0.2 3,-1.7 65,-0.2 4,-0.9 0.655 95.3 90.6 -85.6 -15.9 75.2 9.0 41.3 14 14 A A H >> S+ 0 0 1 -6,-0.3 4,-2.2 1,-0.3 3,-1.1 0.828 75.9 60.5 -50.1 -43.7 73.5 7.4 38.3 15 15 A P H 3> S+ 0 0 40 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.798 98.8 60.0 -62.6 -24.0 76.2 8.0 35.7 16 16 A R H <> S+ 0 0 113 -3,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.832 106.8 46.3 -70.2 -29.9 78.6 6.0 37.8 17 17 A H H S+ 0 0 0 -4,-2.3 5,-2.5 2,-0.2 3,-0.3 0.925 116.4 43.4 -64.5 -45.4 77.5 -1.4 33.3 22 22 A K H ><5S+ 0 0 95 -4,-2.0 3,-1.7 1,-0.2 -2,-0.2 0.926 113.0 50.7 -69.1 -43.6 79.3 -0.2 30.2 23 23 A D H 3<5S+ 0 0 89 -4,-3.5 -1,-0.2 1,-0.3 -2,-0.2 0.624 105.2 55.4 -80.6 -9.4 82.9 -0.9 31.5 24 24 A T T 3<5S- 0 0 26 -4,-1.0 -1,-0.3 -3,-0.3 -2,-0.2 0.271 122.4-106.4 -97.1 9.4 82.1 -4.5 32.6 25 25 A G T < 5S+ 0 0 46 -3,-1.7 -3,-0.2 1,-0.2 -23,-0.2 0.713 78.1 127.7 73.5 30.1 80.9 -5.1 29.0 26 26 A N < - 0 0 13 -5,-2.5 2,-0.4 -6,-0.2 -1,-0.2 -0.461 55.1-112.6-114.7-179.5 77.2 -5.2 29.8 27 27 A C E -a 3 0A 56 -25,-2.5 -23,-3.0 -2,-0.2 2,-0.8 -0.954 5.5-149.6-126.3 129.2 74.2 -3.5 28.4 28 28 A L E +a 4 0A 7 -2,-0.4 -23,-0.2 -25,-0.2 19,-0.2 -0.866 27.5 167.2 -95.7 108.7 71.8 -0.9 30.0 29 29 A V E + 0 0 39 -25,-2.6 20,-2.6 -2,-0.8 2,-0.3 0.660 58.2 22.1 -98.4 -21.3 68.6 -1.7 28.2 30 30 A S E -ac 5 49A 0 -26,-1.2 -24,-1.8 18,-0.2 2,-0.3 -0.993 57.8-174.7-150.2 146.2 66.1 0.3 30.3 31 31 A A E -ac 6 50A 0 18,-0.9 20,-1.8 -2,-0.3 2,-0.4 -0.976 4.0-166.9-142.5 146.0 66.1 3.2 32.7 32 32 A Y E +ac 7 51A 9 -26,-2.5 -24,-2.8 -2,-0.3 -23,-1.3 -0.997 17.6 150.9-137.9 131.7 63.5 4.9 34.8 33 33 A D - 0 0 20 18,-2.3 5,-0.0 -2,-0.4 -2,-0.0 -0.922 44.1-133.2-153.6 140.2 63.4 8.2 36.6 34 34 A I S S+ 0 0 124 -2,-0.3 2,-0.4 2,-0.0 18,-0.1 0.654 96.4 69.1 -65.0 -15.2 60.4 10.4 37.6 35 35 A N S S- 0 0 42 1,-0.1 -25,-0.1 2,-0.1 -27,-0.1 -0.893 73.2-153.4-107.1 138.8 62.5 13.4 36.2 36 36 A D + 0 0 40 -2,-0.4 2,-1.8 1,-0.1 3,-0.1 0.380 66.0 103.3 -96.3 2.7 63.1 13.5 32.5 37 37 A S + 0 0 45 1,-0.2 -1,-0.1 2,-0.1 3,-0.1 -0.584 44.7 120.7 -88.0 79.3 66.4 15.4 32.4 38 38 A V > + 0 0 2 -2,-1.8 3,-2.4 1,-0.1 -1,-0.2 0.090 15.0 129.9-132.1 15.3 68.5 12.3 31.7 39 39 A G G > + 0 0 15 1,-0.3 3,-1.6 2,-0.2 4,-0.4 0.605 56.5 82.6 -60.2 -16.7 70.2 13.0 28.4 40 40 A I G > S+ 0 0 92 1,-0.3 3,-1.1 2,-0.2 4,-0.4 0.748 78.0 75.0 -52.7 -26.5 73.6 12.0 29.8 41 41 A I G X> S+ 0 0 3 -3,-2.4 4,-3.4 1,-0.2 3,-1.4 0.848 83.2 63.3 -58.8 -33.0 72.4 8.5 29.1 42 42 A D G <4 S+ 0 0 29 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.790 96.7 58.4 -64.0 -27.3 73.0 9.0 25.3 43 43 A S G <4 S+ 0 0 75 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.617 124.5 18.8 -75.6 -13.2 76.8 9.4 25.9 44 44 A I T <4 S+ 0 0 12 -3,-1.4 -2,-0.2 -4,-0.4 -3,-0.1 0.707 140.3 17.2-125.7 -47.5 77.0 6.0 27.5 45 45 A S >< + 0 0 16 -4,-3.4 3,-2.0 -5,-0.2 -2,-0.2 -0.647 61.6 169.9-132.9 76.5 74.0 3.9 26.5 46 46 A P T 3 S+ 0 0 66 0, 0.0 740,-0.3 0, 0.0 -4,-0.1 0.609 76.8 53.3 -71.1 -4.7 72.4 5.5 23.5 47 47 A Q T 3 S+ 0 0 174 -19,-0.2 2,-0.1 -6,-0.1 -5,-0.1 0.379 79.7 121.8-108.2 3.1 70.0 2.5 22.8 48 48 A S < - 0 0 5 -3,-2.0 738,-0.7 -7,-0.2 739,-0.3 -0.400 61.7-126.6 -65.6 143.3 68.5 2.3 26.3 49 49 A E E -c 30 0A 64 -20,-2.6 -18,-0.9 737,-0.1 2,-0.4 -0.423 28.0-156.4 -75.9 162.3 64.7 2.7 26.7 50 50 A F E -c 31 0A 0 -20,-0.2 2,-0.3 -2,-0.1 -18,-0.2 -0.996 12.9-176.2-144.1 142.9 63.7 5.3 29.2 51 51 A F E -c 32 0A 14 -20,-1.8 -18,-2.3 -2,-0.4 3,-0.1 -0.987 20.8-164.8-137.2 149.0 60.5 5.9 31.3 52 52 A T S S+ 0 0 37 -2,-0.3 2,-0.4 -20,-0.2 -20,-0.1 0.449 80.5 59.6-107.3 -7.0 59.2 8.6 33.7 53 53 A E S >> S- 0 0 51 1,-0.1 4,-1.9 309,-0.0 3,-0.9 -0.986 74.9-139.4-126.7 131.2 56.4 6.5 35.2 54 54 A F H 3> S+ 0 0 3 -2,-0.4 4,-2.8 1,-0.3 5,-0.2 0.836 100.6 63.5 -56.3 -37.3 57.0 3.2 37.0 55 55 A E H 3> S+ 0 0 14 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.883 107.7 41.0 -56.3 -42.0 53.8 1.7 35.4 56 56 A F H <> S+ 0 0 51 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.885 113.3 53.6 -77.6 -36.2 55.4 1.9 31.9 57 57 A F H X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.914 109.9 48.8 -59.7 -44.6 58.8 0.8 33.1 58 58 A L H X S+ 0 0 17 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.860 109.8 50.0 -65.8 -43.1 57.3 -2.3 34.6 59 59 A D H X S+ 0 0 20 -4,-1.6 4,-2.4 -5,-0.2 -1,-0.2 0.952 112.2 47.8 -60.9 -48.6 55.3 -3.2 31.6 60 60 A H H X S+ 0 0 41 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.918 112.0 49.6 -57.8 -42.7 58.4 -2.9 29.3 61 61 A A H X S+ 0 0 1 -4,-2.4 4,-0.7 1,-0.2 11,-0.4 0.906 110.7 50.5 -68.2 -34.3 60.5 -4.9 31.7 62 62 A S H >< S+ 0 0 16 -4,-2.2 3,-0.6 1,-0.2 4,-0.2 0.876 108.2 52.5 -69.8 -36.6 57.8 -7.6 31.8 63 63 A N H >< S+ 0 0 42 -4,-2.4 3,-1.6 1,-0.2 -1,-0.2 0.872 101.6 60.4 -66.6 -33.7 57.7 -7.7 28.0 64 64 A L H >< S+ 0 0 25 -4,-2.0 3,-1.2 1,-0.3 6,-0.3 0.763 91.1 71.0 -63.9 -26.5 61.4 -8.2 27.8 65 65 A K T << S+ 0 0 110 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.624 77.7 79.3 -61.3 -17.7 61.0 -11.5 29.8 66 66 A R T < S+ 0 0 120 -3,-1.6 2,-0.4 -4,-0.2 -1,-0.2 0.741 96.6 42.6 -67.8 -21.0 59.4 -13.2 26.8 67 67 A D S X> S- 0 0 83 -3,-1.2 4,-1.9 -4,-0.2 3,-1.1 -0.986 75.2-142.9-130.6 121.2 62.8 -13.8 25.1 68 68 A S T 34 S+ 0 0 116 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.1 0.828 101.0 59.8 -60.4 -22.8 65.7 -15.0 27.1 69 69 A A T 34 S+ 0 0 72 1,-0.2 -1,-0.2 -3,-0.1 -4,-0.1 0.848 114.2 34.2 -71.2 -32.1 68.1 -12.8 25.0 70 70 A T T <4 S+ 0 0 56 -3,-1.1 -2,-0.2 -6,-0.3 -1,-0.2 0.623 89.7 120.5 -95.3 -14.6 66.3 -9.6 26.0 71 71 A A S < S- 0 0 22 -4,-1.9 -68,-0.3 -6,-0.1 -6,-0.1 -0.173 70.7-109.0 -56.5 137.6 65.3 -10.5 29.6 72 72 A L - 0 0 12 -11,-0.4 -68,-0.2 1,-0.2 -1,-0.1 -0.430 31.2-175.7 -62.3 135.9 66.6 -8.2 32.3 73 73 A D + 0 0 52 -70,-2.7 24,-2.1 1,-0.3 2,-0.4 0.761 67.7 20.0 -95.7 -40.3 69.4 -9.9 34.4 74 74 A Y E -bd 4 97A 22 -71,-2.0 -69,-1.8 22,-0.2 2,-0.5 -0.985 56.8-154.2-132.0 144.8 70.0 -7.1 37.0 75 75 A V E -bd 5 98A 0 22,-2.1 24,-2.6 -2,-0.4 2,-0.4 -0.993 17.6-158.2-114.5 121.0 68.1 -4.1 38.3 76 76 A S E -bd 6 99A 0 -71,-3.3 -69,-2.9 -2,-0.5 2,-0.5 -0.825 7.5-155.2 -99.6 138.9 70.4 -1.3 39.6 77 77 A I E +bd 7 100A 0 22,-2.6 24,-2.0 -2,-0.4 -69,-0.2 -0.957 33.1 152.1-127.5 120.3 68.9 1.2 42.1 78 78 A C + 0 0 18 -71,-3.0 -65,-0.2 -2,-0.5 -64,-0.2 -0.171 38.9 127.4-131.5 41.6 70.0 4.7 42.9 79 79 A S S S- 0 0 8 1,-0.2 5,-0.1 2,-0.1 22,-0.1 -0.308 72.9 -61.5 -84.0 173.3 66.7 6.2 44.0 80 80 A P >> - 0 0 32 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.238 58.0-104.1 -56.2 152.2 66.1 8.1 47.2 81 81 A N G >4 S+ 0 0 7 1,-0.3 3,-1.4 2,-0.2 4,-0.5 0.808 117.0 53.6 -52.7 -44.5 66.7 6.0 50.4 82 82 A Y G 34 S+ 0 0 42 94,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.719 106.5 54.5 -66.6 -17.5 63.0 5.4 51.3 83 83 A L G <> S+ 0 0 15 -3,-2.0 4,-2.1 93,-0.2 5,-0.3 0.563 83.5 87.5 -94.3 -1.6 62.3 4.0 47.8 84 84 A H H S+ 0 0 17 -4,-0.5 4,-2.5 1,-0.2 -1,-0.2 0.943 113.1 36.9 -55.0 -56.0 62.8 -1.2 49.6 86 86 A P H > S+ 0 0 1 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.830 116.3 54.4 -71.2 -28.1 60.0 -1.3 47.0 87 87 A H H X S+ 0 0 5 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.910 110.6 45.8 -66.1 -41.8 62.4 -0.8 44.1 88 88 A I H X S+ 0 0 0 -4,-2.9 4,-2.7 -5,-0.3 5,-0.3 0.940 111.9 52.5 -63.1 -47.2 64.4 -3.9 45.3 89 89 A A H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.3 -2,-0.2 0.922 111.2 45.9 -57.6 -45.1 61.1 -5.8 45.8 90 90 A A H X S+ 0 0 7 -4,-2.2 4,-1.1 2,-0.2 -1,-0.2 0.878 111.7 53.0 -64.1 -40.8 59.9 -5.1 42.3 91 91 A G H ><>S+ 0 0 2 -4,-2.2 5,-1.7 2,-0.2 3,-0.7 0.939 111.8 43.2 -58.9 -51.3 63.4 -6.0 40.9 92 92 A L H ><5S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -2,-0.2 0.905 113.0 54.2 -63.0 -40.6 63.5 -9.4 42.6 93 93 A R H 3<5S+ 0 0 69 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.673 99.9 59.8 -72.2 -14.3 59.8 -10.0 41.6 94 94 A L T <<5S- 0 0 15 -4,-1.1 -1,-0.3 -3,-0.7 -2,-0.2 0.443 126.0-102.8 -81.8 -5.3 60.6 -9.3 37.9 95 95 A G T < 5S+ 0 0 26 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.756 81.5 127.1 88.0 29.3 63.1 -12.2 38.1 96 96 A C < - 0 0 2 -5,-1.7 -1,-0.3 -6,-0.1 -22,-0.2 -0.878 62.5-121.2-116.2 144.6 66.2 -10.1 38.4 97 97 A D E -d 74 0A 35 -24,-2.1 -22,-2.1 -2,-0.3 2,-0.4 -0.521 39.2-135.0 -68.5 154.1 69.1 -9.9 40.8 98 98 A V E -de 75 125A 0 26,-2.8 28,-3.4 -24,-0.2 2,-0.5 -0.939 19.3-163.9-123.3 138.7 69.3 -6.5 42.3 99 99 A I E -de 76 126A 0 -24,-2.6 -22,-2.6 -2,-0.4 2,-0.4 -0.984 23.1-174.6-117.2 117.9 72.2 -4.1 42.9 100 100 A C E -de 77 127A 0 26,-2.7 28,-1.9 -2,-0.5 -22,-0.1 -0.910 21.3-121.2-123.3 139.6 71.2 -1.3 45.4 101 101 A E - 0 0 16 -24,-2.0 -22,-0.1 -2,-0.4 28,-0.1 -0.258 50.4 -64.3 -64.5 160.9 73.0 1.8 46.6 102 102 A K S S+ 0 0 40 26,-0.2 2,-0.1 25,-0.1 -1,-0.1 -0.579 113.7 53.5 -82.9 156.3 73.7 2.4 50.3 103 103 A P S S- 0 0 1 0, 0.0 -19,-0.1 0, 0.0 -2,-0.1 0.629 75.9-164.3 -64.2 137.5 72.1 2.8 52.8 104 104 A L - 0 0 2 1,-0.3 -3,-0.1 -2,-0.1 -19,-0.1 0.986 66.1 -31.0 -60.3 -62.5 70.5 -0.4 51.6 105 105 A V - 0 0 2 -21,-0.1 -1,-0.3 -20,-0.0 -23,-0.1 -0.917 61.1-115.9-147.8 166.9 67.4 0.1 53.9 106 106 A P S S+ 0 0 6 0, 0.0 -2,-0.1 0, 0.0 -24,-0.0 0.717 86.5 42.3 -85.8 -20.9 67.1 1.7 57.3 107 107 A T > - 0 0 28 1,-0.1 4,-1.4 179,-0.0 3,-0.2 -0.907 68.5-129.2-129.4 154.9 66.1 -1.2 59.6 108 108 A P H > S+ 0 0 16 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.817 110.4 61.8 -69.2 -27.9 67.1 -4.8 60.3 109 109 A E H > S+ 0 0 108 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.889 101.2 53.0 -63.5 -36.8 63.4 -5.7 60.1 110 110 A M H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.902 106.3 53.8 -64.3 -35.8 63.4 -4.5 56.5 111 111 A L H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 -2,-0.2 0.919 107.4 49.5 -64.4 -38.6 66.4 -6.7 55.8 112 112 A D H X S+ 0 0 80 -4,-2.0 4,-1.5 1,-0.2 -1,-0.2 0.906 110.7 50.7 -64.7 -40.1 64.5 -9.7 57.1 113 113 A Q H X S+ 0 0 88 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.890 109.3 49.8 -61.8 -43.2 61.6 -8.8 54.9 114 114 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.894 106.2 56.8 -67.8 -36.7 63.9 -8.5 51.8 115 115 A A H X S+ 0 0 13 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.877 103.0 54.5 -64.2 -33.5 65.4 -11.9 52.5 116 116 A V H X S+ 0 0 48 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.914 108.1 50.1 -58.0 -40.7 61.8 -13.4 52.4 117 117 A I H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 6,-0.3 0.913 105.3 55.5 -70.2 -40.7 61.5 -12.0 49.0 118 118 A E H X>S+ 0 0 25 -4,-2.4 4,-1.7 1,-0.2 5,-0.9 0.903 109.8 48.4 -47.7 -46.3 64.8 -13.5 47.9 119 119 A R H <5S+ 0 0 167 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.817 111.9 47.3 -69.1 -30.3 63.4 -16.8 49.0 120 120 A E H <5S+ 0 0 99 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.805 122.8 34.0 -79.9 -29.1 60.2 -16.4 47.1 121 121 A T H <5S- 0 0 32 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.532 95.3-131.7-101.3 -14.9 61.8 -15.2 43.9 122 122 A D T <5S+ 0 0 136 -4,-1.7 2,-0.3 1,-0.2 -3,-0.2 0.827 70.0 118.0 56.6 34.5 65.1 -17.2 43.9 123 123 A K < - 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