==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-OCT-01 1K4F . COMPND 2 MOLECULE: BETA-LACTAMASE PSE-2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR F.KERFF,E.FONZE,F.BOUILLENE,J.M.FRERE,P.CHARLIER . 491 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20299.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 92 18.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 6 1.2 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 . 23 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 65 13.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.9 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 3 0 0 0 4 4 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 1 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 . 5 1 3 1 0 0 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 21 A S 0 0 111 0, 0.0 30,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 128.7 18.4 -4.7 45.6 2 22 A I E -a 31 0A 56 28,-0.2 2,-0.4 20,-0.0 30,-0.2 -0.967 360.0-164.5-116.7 125.1 14.7 -3.9 45.8 3 23 A T E -a 32 0A 73 28,-3.0 30,-2.1 -2,-0.5 2,-0.3 -0.884 20.0-117.6-115.1 143.9 12.2 -6.4 44.4 4 24 A E E -a 33 0A 122 -2,-0.4 2,-0.5 28,-0.2 30,-0.2 -0.553 21.5-168.8 -78.6 136.9 8.5 -6.0 43.6 5 25 A N > - 0 0 44 28,-3.3 3,-1.2 -2,-0.3 4,-0.2 -0.849 3.3-174.0-128.7 93.6 6.0 -8.0 45.5 6 26 A T G > + 0 0 91 -2,-0.5 3,-0.6 1,-0.2 4,-0.3 0.476 68.7 84.4 -67.4 -3.3 2.6 -7.7 43.9 7 27 A S G 3 S+ 0 0 77 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.549 85.4 55.6 -79.9 -4.4 0.8 -9.6 46.6 8 28 A W G X> S+ 0 0 4 -3,-1.2 3,-1.2 1,-0.1 4,-0.8 0.576 79.2 91.2-100.6 -11.5 0.4 -6.5 48.8 9 29 A N H X> S+ 0 0 60 -3,-0.6 4,-2.5 1,-0.3 3,-1.2 0.863 78.6 62.4 -50.0 -42.9 -1.4 -4.4 46.2 10 30 A K H 3> S+ 0 0 145 -4,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.856 96.1 59.0 -52.9 -39.8 -4.8 -5.6 47.5 11 31 A E H <4 S+ 0 0 50 -3,-1.2 4,-0.4 1,-0.2 -1,-0.3 0.807 111.9 40.7 -61.0 -31.0 -4.2 -4.0 50.9 12 32 A F H X<>S+ 0 0 8 -3,-1.2 5,-2.8 -4,-0.8 3,-0.7 0.891 114.8 49.9 -82.9 -46.1 -3.8 -0.6 49.2 13 33 A S H ><5S+ 0 0 83 -4,-2.5 3,-1.6 1,-0.2 -2,-0.2 0.907 100.5 63.9 -59.5 -46.4 -6.6 -1.0 46.7 14 34 A A T 3<5S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.825 115.6 32.3 -48.4 -34.4 -9.1 -2.1 49.3 15 35 A E T < 5S- 0 0 82 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.400 108.6-120.7-104.4 -0.0 -8.6 1.4 50.9 16 36 A A T < 5 + 0 0 85 -3,-1.6 2,-0.4 -4,-0.5 -3,-0.2 0.878 59.8 159.4 60.2 38.7 -8.0 3.3 47.6 17 37 A V < - 0 0 15 -5,-2.8 2,-0.7 -6,-0.1 -1,-0.2 -0.782 38.9-151.7-100.1 135.9 -4.6 4.3 49.1 18 38 A N + 0 0 112 -2,-0.4 202,-2.8 202,-0.3 2,-0.3 -0.920 53.4 102.2-102.9 109.7 -1.6 5.5 47.1 19 39 A G E -B 219 0A 7 -2,-0.7 2,-0.3 200,-0.3 200,-0.3 -0.940 56.7-112.9-167.3-171.8 1.4 4.5 49.0 20 40 A V E -B 218 0A 0 198,-2.6 198,-1.9 -2,-0.3 2,-0.4 -0.990 9.0-159.1-144.6 149.2 4.3 2.1 49.5 21 41 A F E -B 217 0A 0 -2,-0.3 13,-0.9 196,-0.2 2,-0.4 -0.994 8.2-167.3-128.0 133.6 5.5 -0.5 51.9 22 42 A V E +BC 216 33A 0 194,-2.4 194,-1.9 -2,-0.4 2,-0.4 -0.993 8.2 178.7-123.6 126.9 9.1 -1.6 52.1 23 43 A L E -BC 215 32A 14 9,-2.4 9,-2.7 -2,-0.4 2,-0.4 -0.989 3.3-176.8-133.2 123.5 10.0 -4.8 54.1 24 44 A a E -BC 214 31A 0 190,-2.8 190,-2.8 -2,-0.4 2,-0.4 -0.982 14.5-147.3-125.6 128.1 13.5 -6.2 54.5 25 45 A K E S-B 213 0A 100 5,-0.6 2,-2.7 -2,-0.4 5,-0.2 -0.762 77.4 -14.8 -94.1 136.3 14.4 -9.4 56.3 26 46 A S S S- 0 0 59 186,-3.2 2,-0.3 -2,-0.4 -1,-0.1 -0.193 133.3 -0.1 70.1 -49.2 17.7 -9.7 58.1 27 47 A S S > S- 0 0 27 -2,-2.7 3,-0.5 3,-0.2 187,-0.2 -0.941 72.2-103.3-157.4 177.3 19.2 -6.7 56.3 28 48 A S T 3 S+ 0 0 26 -2,-0.3 3,-0.3 1,-0.2 120,-0.1 0.400 94.8 92.8 -90.3 1.2 18.5 -3.9 53.7 29 49 A K T 3 S+ 0 0 147 1,-0.3 2,-0.4 -4,-0.1 -1,-0.2 0.771 97.7 30.1 -66.1 -24.8 20.5 -5.7 51.0 30 50 A S S < S+ 0 0 59 -3,-0.5 -5,-0.6 -5,-0.2 2,-0.3 -0.877 78.0 170.4-138.6 103.5 17.3 -7.3 49.8 31 51 A a E -aC 2 24A 3 -30,-2.3 -28,-3.0 -2,-0.4 2,-0.3 -0.872 20.2-146.1-115.9 148.4 14.0 -5.5 50.3 32 52 A A E +aC 3 23A 19 -9,-2.7 -9,-2.4 -2,-0.3 2,-0.3 -0.836 23.5 167.6-110.2 150.2 10.5 -6.2 49.0 33 53 A T E -aC 4 22A 0 -30,-2.1 -28,-3.3 -2,-0.3 3,-0.2 -0.988 43.1-130.9-157.1 159.9 8.0 -3.6 48.0 34 54 A N S S+ 0 0 14 -13,-0.9 2,-0.3 -2,-0.3 -30,-0.1 0.680 103.3 34.0 -85.6 -19.0 4.6 -3.1 46.2 35 55 A D > - 0 0 62 -14,-0.3 4,-2.2 1,-0.1 -1,-0.3 -0.863 60.7-168.2-142.8 103.8 6.0 -0.1 44.2 36 56 A L H > S+ 0 0 83 -2,-0.3 4,-1.0 -3,-0.2 -1,-0.1 0.918 92.0 47.7 -55.6 -46.9 9.6 0.0 43.0 37 57 A A H >4 S+ 0 0 79 1,-0.2 3,-0.8 2,-0.2 4,-0.5 0.956 114.8 42.3 -61.6 -53.8 9.3 3.7 42.1 38 58 A R H >4 S+ 0 0 23 1,-0.2 3,-0.9 2,-0.2 105,-0.4 0.809 101.6 71.7 -66.5 -27.1 7.7 5.0 45.2 39 59 A A H 3< S+ 0 0 0 -4,-2.2 105,-2.0 1,-0.3 104,-0.5 0.871 109.4 32.0 -54.6 -40.2 10.0 2.9 47.4 40 60 A S T << S+ 0 0 64 -4,-1.0 2,-0.3 -3,-0.8 -1,-0.3 0.388 91.0 116.4-100.2 2.4 12.9 5.1 46.6 41 61 A K < - 0 0 119 -3,-0.9 102,-0.5 -4,-0.5 2,-0.4 -0.582 65.6-127.3 -74.8 130.6 10.9 8.4 46.2 42 62 A E + 0 0 82 -2,-0.3 2,-0.3 100,-0.2 100,-0.3 -0.640 31.7 177.8 -85.1 131.5 12.0 10.9 48.9 43 63 A Y B -G 141 0B 25 98,-2.6 98,-2.5 -2,-0.4 0, 0.0 -0.881 43.3 -81.6-127.6 158.9 9.3 12.6 51.0 44 64 A L - 0 0 20 -2,-0.3 96,-0.2 96,-0.2 145,-0.1 -0.377 40.4-142.0 -55.9 131.7 9.2 15.1 53.9 45 65 A P > - 0 0 0 0, 0.0 3,-1.8 0, 0.0 -1,-0.2 0.750 27.1-176.5 -73.6 -20.8 10.0 12.9 57.0 46 66 A A G > - 0 0 2 88,-1.4 3,-2.1 1,-0.3 4,-0.1 -0.262 69.2 -11.7 54.3-144.3 7.6 14.8 59.3 47 67 A S G > S+ 0 0 12 1,-0.3 3,-1.9 2,-0.2 -1,-0.3 0.568 120.5 81.6 -65.0 -7.7 7.8 13.4 62.9 48 68 A T G X S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 -1,-0.3 0.709 79.3 74.2 -67.6 -14.4 9.9 10.3 61.8 49 69 A F G <> S+ 0 0 0 -3,-2.1 4,-2.5 1,-0.3 -1,-0.3 0.652 72.1 82.4 -70.3 -13.9 12.7 12.9 62.0 50 70 A X H <> S+ 0 0 0 -3,-1.9 4,-2.1 1,-0.2 -1,-0.3 0.766 83.6 63.1 -62.4 -21.8 12.5 12.7 65.8 51 71 A I H <> S+ 0 0 2 -3,-1.4 4,-2.0 2,-0.2 -1,-0.2 0.994 110.9 32.0 -67.4 -61.8 14.7 9.5 65.6 52 72 A P H > S+ 0 0 0 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.896 118.6 57.0 -63.4 -34.5 17.8 11.2 64.1 53 73 A N H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.918 107.0 48.1 -61.1 -41.8 17.0 14.4 66.0 54 74 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.927 112.4 49.0 -64.2 -44.5 17.0 12.5 69.3 55 75 A I H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.949 113.8 45.5 -59.5 -50.2 20.3 10.8 68.4 56 76 A I H X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 6,-0.3 0.892 109.8 55.5 -61.3 -40.6 21.9 14.1 67.5 57 77 A G H <>S+ 0 0 0 -4,-2.6 6,-2.5 -5,-0.2 5,-0.7 0.895 112.6 42.3 -60.0 -40.0 20.5 15.8 70.6 58 78 A L H ><5S+ 0 0 10 -4,-2.1 3,-0.9 4,-0.2 -2,-0.2 0.931 113.4 51.9 -71.8 -46.0 22.2 13.2 72.8 59 79 A E H 3<5S+ 0 0 54 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.846 113.1 44.6 -59.0 -38.0 25.5 13.1 70.8 60 80 A T T 3<5S- 0 0 26 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.534 111.9-118.1 -85.1 -8.8 25.8 16.9 71.0 61 81 A G T < 5S+ 0 0 48 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.387 83.5 119.3 87.7 -5.8 24.9 17.0 74.7 62 82 A V S - 0 0 38 -3,-0.1 3,-1.8 102,-0.0 -1,-0.1 -0.963 68.4 -69.6-170.7-178.3 21.0 12.0 79.1 66 86 A E T 3 S+ 0 0 26 -2,-0.3 22,-0.5 1,-0.3 23,-0.3 0.735 125.4 54.7 -60.7 -24.4 18.2 9.4 78.9 67 87 A H T 3 S+ 0 0 56 20,-0.1 -1,-0.3 21,-0.1 -3,-0.0 0.342 76.9 134.1 -94.3 7.3 16.6 10.7 82.2 68 88 A Q < - 0 0 51 -3,-1.8 20,-0.5 1,-0.1 2,-0.5 -0.288 45.7-148.8 -57.4 133.1 16.3 14.2 80.9 69 89 A V E -H 87 0C 46 18,-0.2 2,-1.0 19,-0.1 18,-0.2 -0.943 4.7-145.2-108.8 125.9 12.9 15.8 81.6 70 90 A F E -H 86 0C 27 16,-3.8 16,-2.2 -2,-0.5 2,-0.1 -0.812 23.8-143.8 -92.6 103.5 11.8 18.4 79.1 71 91 A K - 0 0 147 -2,-1.0 2,-0.6 14,-0.2 14,-0.1 -0.393 5.0-129.7 -71.3 141.3 9.8 20.9 81.2 72 92 A W - 0 0 79 1,-0.1 13,-0.1 -2,-0.1 -1,-0.1 -0.818 9.0-151.9 -91.6 124.8 6.7 22.6 79.9 73 93 A D - 0 0 109 -2,-0.6 -1,-0.1 11,-0.1 10,-0.1 0.408 43.0-109.0 -76.4 2.8 7.0 26.4 80.4 74 94 A G S S+ 0 0 42 1,-0.3 3,-0.1 10,-0.0 -1,-0.1 0.342 76.4 133.1 87.6 -8.7 3.2 26.7 80.6 75 95 A K - 0 0 135 1,-0.1 -1,-0.3 0, 0.0 -2,-0.1 -0.504 69.1 -85.2 -76.3 146.8 2.9 28.4 77.2 76 96 A P - 0 0 117 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.176 46.0-165.3 -53.6 134.9 0.1 27.1 74.8 77 97 A R - 0 0 46 2,-0.1 6,-0.1 -3,-0.1 5,-0.1 -0.934 33.6-108.3-123.8 149.1 1.1 24.2 72.7 78 98 A A S S+ 0 0 93 -2,-0.3 2,-0.4 4,-0.1 -1,-0.1 0.782 104.5 35.7 -43.7 -39.5 -0.7 22.8 69.6 79 99 A M S > S- 0 0 84 1,-0.1 3,-1.6 -3,-0.0 4,-0.5 -0.940 73.2-135.8-122.4 144.3 -1.9 19.7 71.5 80 100 A K G > S+ 0 0 178 -2,-0.4 3,-1.4 1,-0.3 -1,-0.1 0.838 105.0 65.0 -62.5 -34.0 -3.0 19.3 75.1 81 101 A Q G 3 S+ 0 0 82 1,-0.3 -1,-0.3 13,-0.1 15,-0.1 0.580 100.4 52.7 -67.1 -8.0 -0.9 16.1 75.3 82 102 A W G < S+ 0 0 24 -3,-1.6 2,-1.9 1,-0.1 -1,-0.3 0.554 84.0 92.5 -99.3 -13.5 2.2 18.2 74.8 83 103 A E S < S+ 0 0 51 -3,-1.4 2,-0.3 -4,-0.5 -1,-0.1 -0.473 78.5 60.4 -84.4 71.4 1.3 20.6 77.6 84 104 A R S S- 0 0 60 -2,-1.9 2,-0.1 -14,-0.1 -11,-0.1 -0.949 97.0 -69.5-178.0 164.8 3.3 18.9 80.4 85 105 A D - 0 0 56 -2,-0.3 2,-0.3 -13,-0.1 -14,-0.2 -0.466 56.1-165.8 -67.2 140.9 6.7 17.8 81.4 86 106 A L E -H 70 0C 4 -16,-2.2 -16,-3.8 -2,-0.1 2,-0.1 -0.974 18.8-139.6-135.5 147.1 7.9 15.0 79.2 87 107 A T E > -H 69 0C 30 -2,-0.3 4,-2.9 -18,-0.2 5,-0.2 -0.420 44.3 -96.4 -89.1 174.4 10.7 12.4 79.2 88 108 A L H > S+ 0 0 4 -20,-0.5 4,-2.3 -22,-0.5 5,-0.2 0.943 128.6 44.2 -58.6 -47.7 12.5 11.6 75.9 89 109 A R H > S+ 0 0 22 -23,-0.3 4,-3.5 1,-0.2 -1,-0.2 0.920 112.8 52.7 -63.1 -42.7 10.3 8.6 75.3 90 110 A G H > S+ 0 0 15 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.922 110.1 47.5 -58.3 -45.4 7.2 10.6 76.3 91 111 A A H <>S+ 0 0 0 -4,-2.9 5,-2.4 2,-0.2 4,-0.3 0.899 115.8 44.9 -64.0 -41.2 8.1 13.3 73.8 92 112 A I H ><5S+ 0 0 1 -4,-2.3 3,-0.8 -5,-0.2 -2,-0.2 0.943 111.1 53.7 -68.9 -45.0 8.7 10.8 71.0 93 113 A Q H 3<5S+ 0 0 37 -4,-3.5 -2,-0.2 1,-0.3 -1,-0.2 0.829 118.9 32.5 -59.9 -38.0 5.6 8.8 71.8 94 114 A V T 3<5S- 0 0 11 -4,-1.9 -1,-0.3 -5,-0.2 3,-0.2 0.349 108.8-124.2 -99.4 4.3 3.2 11.7 71.6 95 115 A S T < 5 - 0 0 19 -3,-0.8 2,-1.7 -4,-0.3 -3,-0.2 0.933 30.2-164.1 52.6 55.3 5.3 13.3 69.0 96 116 A A >>< - 0 0 0 -5,-2.4 4,-1.3 1,-0.2 3,-1.1 -0.514 6.0-171.6 -74.0 84.9 5.7 16.6 70.9 97 117 A V H 3> S+ 0 0 21 -2,-1.7 4,-2.2 1,-0.2 3,-0.3 0.863 77.6 57.4 -44.5 -52.4 7.0 18.9 68.1 98 118 A P H 3> S+ 0 0 24 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.831 102.6 55.1 -54.8 -33.8 7.9 21.9 70.3 99 119 A V H <> S+ 0 0 6 -3,-1.1 4,-1.6 1,-0.2 -2,-0.2 0.942 113.8 40.8 -64.2 -45.5 10.3 19.8 72.5 100 120 A F H X S+ 0 0 0 -4,-1.3 4,-2.5 -3,-0.3 -1,-0.2 0.735 107.9 60.8 -76.5 -22.6 12.2 18.7 69.3 101 121 A Q H X S+ 0 0 41 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.928 107.7 45.9 -68.1 -41.2 12.0 22.2 67.8 102 122 A Q H X S+ 0 0 85 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.887 111.1 52.6 -66.6 -38.5 13.9 23.5 70.8 103 123 A I H X S+ 0 0 4 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.942 110.2 48.4 -60.9 -46.3 16.4 20.6 70.5 104 124 A A H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.907 109.3 53.0 -60.9 -42.9 17.0 21.4 66.9 105 125 A R H < S+ 0 0 102 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.905 112.3 44.5 -59.8 -42.5 17.5 25.1 67.7 106 126 A E H < S+ 0 0 95 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.8 54.7 -71.6 -35.0 20.1 24.2 70.3 107 127 A V H < S- 0 0 3 -4,-2.4 4,-0.5 -5,-0.2 -2,-0.2 0.944 103.3-153.9 -62.1 -45.5 21.8 21.7 68.0 108 128 A G X - 0 0 23 -4,-2.6 4,-2.5 -5,-0.2 5,-0.2 0.171 25.2 -80.2 86.9 153.7 22.1 24.5 65.4 109 129 A E H > S+ 0 0 140 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.869 123.7 52.8 -58.3 -43.6 22.3 24.4 61.6 110 130 A V H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.962 115.1 38.9 -60.4 -52.8 26.1 23.6 61.4 111 131 A R H > S+ 0 0 90 -4,-0.5 4,-2.4 1,-0.2 5,-0.2 0.898 114.4 54.6 -66.3 -38.9 25.9 20.5 63.6 112 132 A M H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 5,-0.2 0.939 109.4 47.8 -59.4 -47.3 22.6 19.4 62.2 113 133 A Q H X S+ 0 0 68 -4,-2.5 4,-1.7 -5,-0.2 -1,-0.2 0.936 110.6 52.1 -58.5 -47.5 24.0 19.5 58.7 114 134 A K H X S+ 0 0 99 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.913 111.3 46.1 -56.4 -47.0 27.1 17.5 59.7 115 135 A Y H X S+ 0 0 23 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.864 108.9 52.9 -68.3 -37.1 25.1 14.7 61.4 116 136 A L H X>S+ 0 0 0 -4,-2.2 5,-2.4 2,-0.2 4,-0.5 0.835 109.9 51.0 -68.2 -27.4 22.6 14.3 58.6 117 137 A K H ><5S+ 0 0 127 -4,-1.7 3,-1.0 -5,-0.2 -2,-0.2 0.939 110.8 47.8 -70.9 -45.8 25.6 13.9 56.3 118 138 A K H 3<5S+ 0 0 104 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.874 115.3 46.0 -59.8 -38.7 27.1 11.3 58.6 119 139 A F H 3<5S- 0 0 10 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.507 102.6-131.3 -82.3 -6.3 23.7 9.5 58.7 120 140 A S T <<5 - 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