==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 12-FEB-01 1I2S . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR E.FONZE,M.VANHOVE,G.DIVE,E.SAUVAGE,J.M.FRERE,P.CHARLIER . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 349 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.5 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 . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 9 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 162 31.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 1 0 0 0 0 2 4 2 6 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 4 0 0 4 0 0 2 2 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 . 4 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 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 31 A D > 0 0 102 0, 0.0 4,-1.1 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 140.3 41.0 7.7 35.4 2 32 A D H > + 0 0 82 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.754 360.0 63.0 -70.4 -29.3 40.6 4.1 34.0 3 33 A F H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.895 101.2 51.4 -67.1 -39.1 38.6 5.1 30.9 4 34 A A H > S+ 0 0 28 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.912 108.4 52.3 -63.3 -40.9 41.6 7.1 29.6 5 35 A K H X S+ 0 0 116 -4,-1.1 4,-2.5 1,-0.2 -1,-0.2 0.857 108.8 50.5 -62.4 -36.2 43.8 4.1 30.1 6 36 A L H X S+ 0 0 19 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.879 106.9 54.0 -69.7 -38.1 41.4 2.0 28.1 7 37 A E H X>S+ 0 0 19 -4,-2.1 5,-1.6 1,-0.2 4,-0.7 0.903 112.5 44.7 -62.3 -38.6 41.3 4.5 25.3 8 38 A E H <5S+ 0 0 141 -4,-2.0 -2,-0.2 3,-0.2 3,-0.2 0.912 113.3 50.1 -69.3 -44.9 45.1 4.2 25.2 9 39 A Q H <5S+ 0 0 142 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.916 124.5 28.1 -60.1 -46.2 45.1 0.4 25.4 10 40 A F H <5S- 0 0 23 -4,-2.8 -1,-0.2 2,-0.1 -2,-0.2 0.365 101.0-128.6 -99.4 3.6 42.5 0.0 22.6 11 41 A D T <5 + 0 0 110 -4,-0.7 222,-0.3 -3,-0.2 2,-0.3 0.948 68.9 117.0 45.6 60.3 43.4 3.2 20.7 12 42 A A < - 0 0 15 -5,-1.6 2,-0.4 -6,-0.1 220,-0.2 -0.933 67.4-112.7-147.8 166.6 39.8 4.3 20.7 13 43 A K E -A 231 0A 56 218,-2.9 218,-1.5 -2,-0.3 2,-0.4 -0.881 32.3-149.8-105.3 138.3 37.6 7.1 22.0 14 44 A L E -A 230 0A 0 -2,-0.4 2,-0.4 216,-0.2 216,-0.2 -0.873 13.8-169.9-114.1 144.6 35.0 6.2 24.6 15 45 A G E +A 229 0A 0 214,-2.4 214,-3.3 -2,-0.4 2,-0.4 -0.989 19.7 174.5-130.9 118.5 31.6 7.7 25.4 16 46 A I E +AB 228 29A 0 13,-3.3 13,-2.0 -2,-0.4 2,-0.3 -0.985 17.6 165.1-135.9 136.4 30.0 6.5 28.6 17 47 A F E +AB 227 28A 1 210,-1.9 210,-2.1 -2,-0.4 2,-0.4 -0.922 10.1 171.0-145.7 120.1 26.9 7.4 30.6 18 48 A A E -AB 226 27A 0 9,-2.4 9,-1.8 -2,-0.3 2,-0.4 -0.986 8.5-170.7-130.2 140.7 25.6 5.2 33.3 19 49 A L E -AB 225 26A 3 206,-2.6 206,-2.6 -2,-0.4 2,-0.9 -0.979 17.5-148.4-137.0 122.3 22.8 6.0 35.8 20 50 A D E >>> -AB 224 25A 31 5,-2.7 4,-3.0 -2,-0.4 3,-1.1 -0.802 13.1-159.7 -86.8 107.5 21.8 4.0 38.8 21 51 A T T 345S+ 0 0 38 202,-1.9 -1,-0.2 -2,-0.9 203,-0.1 0.624 86.5 59.7 -66.3 -11.4 18.1 4.8 39.0 22 52 A G T 345S+ 0 0 7 201,-0.3 -1,-0.2 200,-0.2 202,-0.1 0.746 124.5 13.9 -88.3 -22.5 18.0 3.8 42.6 23 53 A T T <45S- 0 0 44 -3,-1.1 -2,-0.2 2,-0.2 388,-0.2 0.492 91.3-124.5-127.6 -11.6 20.5 6.4 43.8 24 54 A N T <5 + 0 0 6 -4,-3.0 2,-0.4 1,-0.3 -3,-0.2 0.778 60.8 147.6 65.7 26.1 20.8 8.8 40.9 25 55 A R E < -B 20 0A 99 -5,-0.6 -5,-2.7 230,-0.0 2,-0.3 -0.750 28.8-164.7 -90.0 140.1 24.5 8.2 41.1 26 56 A T E -B 19 0A 48 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.868 22.5-155.0-128.7 160.0 26.2 8.4 37.6 27 57 A V E +B 18 0A 17 -9,-1.8 -9,-2.4 -2,-0.3 2,-0.3 -0.996 27.7 175.0-130.5 124.5 29.4 7.4 35.9 28 59 A T E +B 17 0A 61 -2,-0.4 -11,-0.2 -11,-0.2 2,-0.2 -0.946 20.8 169.3-135.3 156.4 30.3 9.5 32.8 29 60 A Y E S-B 16 0A 39 -13,-2.0 -13,-3.3 -2,-0.3 4,-0.1 -0.726 86.3 -19.1-165.2 110.0 33.1 9.9 30.3 30 61 A R S > S+ 0 0 88 -15,-0.2 3,-1.2 -2,-0.2 120,-0.4 0.917 82.3 165.9 50.5 47.7 32.7 12.0 27.2 31 62 A P T 3 S+ 0 0 17 0, 0.0 120,-2.3 0, 0.0 121,-0.4 0.687 70.5 42.8 -67.3 -19.3 28.9 11.7 27.9 32 63 A D T 3 S+ 0 0 69 118,-0.2 2,-0.4 117,-0.2 -2,-0.1 0.233 84.9 112.9-113.9 14.7 28.0 14.4 25.4 33 64 A E < - 0 0 79 -3,-1.2 117,-0.5 -4,-0.1 2,-0.2 -0.702 69.7-116.9 -85.8 136.9 30.4 13.6 22.6 34 65 A R + 0 0 87 -2,-0.4 2,-0.3 115,-0.1 115,-0.2 -0.501 36.0 172.5 -78.9 141.6 28.7 12.5 19.4 35 66 A F E -E 148 0B 7 113,-2.4 113,-2.1 -2,-0.2 2,-0.3 -0.947 45.9 -94.6-139.2 154.2 29.2 9.0 18.0 36 67 A A E -E 147 0B 8 -2,-0.3 111,-0.3 111,-0.2 194,-0.2 -0.587 34.4-147.9 -67.4 131.4 27.4 7.3 15.1 37 68 A F > + 0 0 1 109,-1.7 3,-1.8 -2,-0.3 4,-0.2 0.762 29.2 175.3 -77.5 -20.4 24.6 5.4 16.9 38 69 A A G > - 0 0 0 108,-0.6 3,-1.7 98,-0.3 -1,-0.2 -0.172 65.3 -9.3 49.7-140.8 24.6 2.6 14.4 39 70 A S G > S+ 0 0 9 1,-0.3 3,-2.0 165,-0.2 4,-0.4 0.567 115.8 84.3 -65.4 -9.9 22.3 -0.3 15.3 40 71 A T G X> S+ 0 0 0 -3,-1.8 3,-1.4 1,-0.3 4,-0.8 0.815 78.9 71.8 -61.2 -24.6 21.5 0.9 18.8 41 72 A I H <> S+ 0 0 2 -3,-1.7 4,-2.2 1,-0.3 -1,-0.3 0.714 80.1 74.4 -61.8 -21.0 18.9 3.0 17.0 42 73 A K H <> S+ 0 0 0 -3,-2.0 4,-1.8 1,-0.2 -1,-0.3 0.846 93.0 52.8 -62.2 -33.4 16.9 -0.2 16.4 43 74 A A H <> S+ 0 0 1 -3,-1.4 4,-1.7 -4,-0.4 -1,-0.2 0.915 111.1 44.3 -68.4 -44.5 15.9 -0.2 20.1 44 75 A L H X S+ 0 0 1 -4,-0.8 4,-2.0 1,-0.2 -2,-0.2 0.839 110.2 57.7 -69.1 -32.6 14.6 3.4 20.0 45 76 A T H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.916 107.4 45.5 -64.2 -43.9 12.8 2.6 16.7 46 77 A V H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 5,-0.2 0.865 108.1 59.5 -67.9 -33.7 10.8 -0.2 18.3 47 78 A G H X S+ 0 0 0 -4,-1.7 4,-1.1 1,-0.2 -2,-0.2 0.936 109.0 42.9 -58.3 -45.5 10.1 2.0 21.3 48 79 A V H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 3,-0.4 0.913 111.8 54.6 -66.7 -42.1 8.4 4.5 18.9 49 80 A L H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.3 3,-0.3 0.910 106.5 51.0 -57.8 -43.5 6.7 1.6 17.0 50 81 A L H < S+ 0 0 0 -4,-2.9 -1,-0.3 1,-0.2 -2,-0.2 0.792 105.6 58.6 -65.4 -26.7 5.2 0.4 20.3 51 82 A Q H < S+ 0 0 63 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.871 114.2 34.8 -68.4 -38.8 3.9 3.9 21.0 52 83 A Q H < S+ 0 0 77 -4,-1.6 2,-0.4 -3,-0.3 -2,-0.2 0.619 111.7 65.7 -93.8 -14.7 1.9 4.0 17.8 53 86 A K S < S- 0 0 36 -4,-1.7 2,-0.1 -5,-0.2 5,-0.0 -0.877 70.2-135.2-115.6 144.2 0.7 0.4 17.5 54 87 A S > - 0 0 52 -2,-0.4 4,-0.9 1,-0.1 3,-0.1 -0.431 38.0-104.5 -82.1 166.5 -1.6 -1.6 19.7 55 88 A I T >4 S+ 0 0 73 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.893 124.7 51.7 -61.0 -37.2 -0.4 -5.2 20.5 56 89 A E G >4 S+ 0 0 143 1,-0.2 3,-1.9 2,-0.2 -1,-0.2 0.849 99.6 63.3 -68.1 -32.3 -2.9 -6.5 18.0 57 90 A D G >4 S+ 0 0 68 1,-0.3 3,-1.5 2,-0.2 29,-0.3 0.788 92.4 66.6 -60.1 -27.4 -1.6 -4.2 15.4 58 91 A L G << S+ 0 0 2 -4,-0.9 29,-2.5 -3,-0.7 30,-0.3 0.607 87.6 65.9 -71.0 -11.5 1.7 -6.1 15.7 59 92 A N G < S+ 0 0 91 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.493 74.2 122.2 -86.5 -4.3 0.1 -9.2 14.2 60 93 A Q < - 0 0 83 -3,-1.5 26,-1.5 -4,-0.2 2,-0.4 -0.395 66.3-127.1 -60.8 124.6 -0.2 -7.3 11.0 61 94 A R E -F 85 0C 128 24,-0.2 2,-0.5 -2,-0.2 24,-0.3 -0.628 20.8-157.3 -79.8 132.7 1.6 -9.2 8.3 62 95 A I E -F 84 0C 17 22,-3.0 22,-2.2 -2,-0.4 2,-0.3 -0.941 4.7-156.1-112.8 125.5 4.1 -7.2 6.3 63 96 A T + 0 0 114 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.740 21.1 157.0-101.5 150.9 5.1 -8.3 2.8 64 97 A Y - 0 0 13 16,-0.4 2,-0.2 -2,-0.3 19,-0.1 -0.928 26.3-125.8-156.7 176.2 8.3 -7.4 1.1 65 98 A T >> - 0 0 71 -2,-0.3 3,-1.5 16,-0.0 4,-0.6 -0.744 36.4 -97.2-127.8 174.8 10.6 -8.6 -1.7 66 99 A R G >4 S+ 0 0 165 1,-0.3 3,-0.9 -2,-0.2 -1,-0.0 0.799 124.1 66.1 -59.9 -25.8 14.2 -9.6 -2.3 67 100 A D G 34 S+ 0 0 155 1,-0.3 -1,-0.3 0, 0.0 -3,-0.0 0.816 96.2 53.9 -63.7 -32.3 14.3 -6.0 -3.6 68 101 A D G <4 S+ 0 0 57 -3,-1.5 -1,-0.3 12,-0.0 -2,-0.2 0.624 87.9 105.6 -77.7 -14.9 13.7 -4.8 -0.1 69 102 A L << - 0 0 26 -3,-0.9 4,-0.1 -4,-0.6 2,-0.0 -0.462 47.9-177.9 -72.9 136.3 16.6 -6.8 1.2 70 103 A V - 0 0 48 -2,-0.2 3,-0.2 2,-0.1 -1,-0.1 0.159 47.4 -59.1-105.5-135.7 19.8 -4.9 2.2 71 104 A N S S+ 0 0 101 1,-0.2 2,-0.4 -2,-0.0 -2,-0.1 0.744 119.0 32.3 -90.1 -25.7 23.2 -6.1 3.5 72 105 A Y + 0 0 107 1,-0.1 27,-2.6 25,-0.0 28,-0.6 -0.832 61.4 146.1-137.9 98.5 22.4 -8.0 6.7 73 106 A N > + 0 0 10 -2,-0.4 4,-2.1 25,-0.2 5,-0.3 -0.416 6.4 162.6-132.5 60.9 19.1 -9.8 6.8 74 107 A P T 4 S+ 0 0 24 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.852 85.2 19.4 -46.7 -47.1 19.6 -13.0 8.9 75 108 A I T >4 S+ 0 0 42 2,-0.1 3,-1.6 17,-0.1 4,-0.2 0.898 121.6 55.7 -93.7 -47.5 15.9 -13.5 9.5 76 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 7,-0.2 0.810 99.6 59.5 -59.0 -35.1 14.1 -11.4 6.8 77 110 A E G 3< S+ 0 0 75 -4,-2.1 3,-0.4 1,-0.3 -1,-0.3 0.695 101.1 58.7 -69.7 -13.4 15.8 -13.1 3.9 78 111 A K G < S+ 0 0 137 -3,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.463 111.1 39.1 -92.0 -2.3 14.4 -16.4 5.0 79 112 A H S X> S+ 0 0 71 -3,-1.5 4,-2.8 -4,-0.2 3,-1.6 0.089 72.0 120.8-133.4 23.3 10.8 -15.2 4.8 80 113 A V T 34 S+ 0 0 15 -3,-0.4 -16,-0.4 1,-0.3 -2,-0.1 0.865 80.7 47.6 -57.2 -37.3 10.7 -13.1 1.6 81 114 A D T 34 S+ 0 0 164 1,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 0.455 122.1 34.7 -86.4 2.8 8.1 -15.3 0.0 82 115 A T T <4 S- 0 0 87 -3,-1.6 -2,-0.2 -20,-0.1 -1,-0.2 0.592 96.0-137.1-127.1 -21.1 5.9 -15.3 3.1 83 116 A G < - 0 0 0 -4,-2.8 2,-0.3 -7,-0.2 -20,-0.2 -0.136 18.0-114.4 79.5 172.4 6.2 -11.9 4.7 84 117 A M E -F 62 0C 4 -22,-2.2 -22,-3.0 -4,-0.1 2,-0.1 -0.980 20.4-109.9-144.0 152.3 6.6 -11.4 8.5 85 118 A T E > -F 61 0C 14 -2,-0.3 4,-2.2 -24,-0.3 -24,-0.2 -0.396 33.2-110.9 -78.7 162.9 4.4 -9.8 11.1 86 119 A L H > S+ 0 0 0 -26,-1.5 4,-2.5 -28,-0.3 5,-0.2 0.871 120.7 54.5 -60.7 -36.5 5.5 -6.5 12.7 87 120 A K H > S+ 0 0 91 -29,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.919 109.3 46.2 -62.8 -45.6 6.0 -8.4 16.0 88 121 A E H > S+ 0 0 87 -30,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.839 112.0 52.3 -66.0 -33.7 8.3 -10.9 14.2 89 122 A L H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.891 108.0 49.9 -69.7 -39.3 10.1 -8.0 12.5 90 123 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.912 111.0 51.4 -64.4 -41.1 10.7 -6.2 15.9 91 124 A D H X S+ 0 0 34 -4,-2.1 4,-2.6 1,-0.2 5,-0.5 0.942 112.2 44.5 -59.6 -50.2 12.1 -9.5 17.2 92 125 A A H X S+ 0 0 0 -4,-2.2 6,-1.8 1,-0.2 4,-1.5 0.879 113.9 50.8 -63.0 -39.7 14.5 -9.9 14.3 93 126 A S H X S+ 0 0 0 -4,-2.5 4,-0.7 4,-0.3 -2,-0.2 0.939 119.0 34.4 -65.5 -47.6 15.6 -6.3 14.5 94 127 A L H < S+ 0 0 0 -4,-2.5 108,-0.2 -5,-0.2 -2,-0.2 0.897 126.6 35.2 -77.7 -41.3 16.3 -6.3 18.2 95 128 A R H < S+ 0 0 36 -4,-2.6 87,-1.8 -5,-0.3 88,-0.3 0.757 134.9 21.8 -89.1 -24.7 17.6 -9.8 18.8 96 129 A Y H < S- 0 0 80 -4,-1.5 -3,-0.2 -5,-0.5 3,-0.2 0.429 96.5-124.7-119.3 -2.8 19.5 -10.4 15.5 97 130 A S < - 0 0 11 -4,-0.7 2,-0.4 -5,-0.3 -4,-0.3 0.853 37.8-170.7 59.1 37.5 20.0 -6.7 14.4 98 131 A D > - 0 0 0 -6,-1.8 4,-1.8 1,-0.2 -1,-0.2 -0.454 13.8-156.7 -63.3 115.7 18.3 -7.5 11.1 99 132 A N H > S+ 0 0 7 -27,-2.6 4,-2.0 -2,-0.4 34,-0.3 0.862 90.5 49.1 -65.2 -40.8 18.8 -4.5 8.8 100 133 A T H > S+ 0 0 1 -28,-0.6 4,-2.7 2,-0.2 5,-0.2 0.896 108.7 54.5 -67.4 -38.2 15.8 -5.1 6.5 101 134 A A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.921 108.1 49.8 -60.4 -43.0 13.6 -5.5 9.6 102 135 A Q H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.926 111.2 49.3 -61.0 -43.0 14.7 -2.1 10.9 103 136 A N H X S+ 0 0 9 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.904 111.0 48.7 -63.8 -41.4 14.0 -0.6 7.5 104 137 A L H X S+ 0 0 12 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.890 114.0 46.0 -66.7 -39.2 10.5 -2.1 7.3 105 138 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 -2,-0.2 0.875 109.7 55.6 -70.8 -37.0 9.7 -0.9 10.8 106 139 A L H <>S+ 0 0 3 -4,-2.6 5,-2.8 1,-0.2 3,-0.5 0.928 107.6 48.6 -59.6 -46.5 11.2 2.5 10.0 107 140 A K H ><5S+ 0 0 104 -4,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.869 105.5 59.8 -61.8 -36.5 8.8 2.8 7.0 108 141 A Q H 3<5S+ 0 0 59 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.850 109.0 42.5 -61.6 -34.8 5.9 1.8 9.3 109 142 A I T 3<5S- 0 0 9 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.390 130.0 -86.4 -96.1 5.6 6.5 4.8 11.6 110 143 A G T < 5 - 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0 0 14 -4,-0.8 2,-0.4 -5,-0.5 -4,-0.3 0.860 39.3-170.8 63.9 36.4 5.0 22.8 58.1 354 131 B D > - 0 0 0 -6,-1.8 4,-1.7 1,-0.2 -1,-0.2 -0.462 14.4-157.1 -64.2 116.4 2.7 22.0 61.1 355 132 B N H > S+ 0 0 7 -27,-2.6 4,-2.0 -2,-0.4 34,-0.3 0.852 90.3 50.4 -65.2 -38.9 4.8 20.0 63.6 356 133 B T H > S+ 0 0 0 -28,-0.6 4,-2.5 2,-0.2 5,-0.2 0.899 108.3 54.1 -67.3 -39.3 1.8 18.3 65.4 357 134 B A H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.926 108.0 49.2 -59.9 -45.2 0.5 17.2 62.0 358 135 B Q H X S+ 0 0 1 -4,-1.7 4,-2.8 1,-0.2 -1,-0.2 0.923 111.8 49.1 -60.5 -44.6 3.8 15.5 61.1 359 136 B N H X S+ 0 0 16 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.894 111.2 48.6 -62.7 -42.1 3.9 13.7 64.5 360 137 B L H X S+ 0 0 12 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.883 114.3 46.7 -65.4 -39.0 0.3 12.5 64.2 361 138 B I H X S+ 0 0 0 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.893 109.7 53.4 -70.4 -39.2 1.1 11.3 60.6 362 139 B L H <>S+ 0 0 3 -4,-2.8 5,-3.2 1,-0.2 4,-0.4 0.904 108.9 49.6 -60.9 -42.2 4.4 9.6 61.8 363 140 B K H ><5S+ 0 0 122 -4,-2.2 3,-1.6 1,-0.2 -1,-0.2 0.929 106.6 57.3 -61.2 -44.2 2.4 7.8 64.4 364 141 B Q H 3<5S+ 0 0 57 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.842 109.7 43.3 -54.6 -38.9 -0.1 6.7 61.7 365 142 B I T 3<5S- 0 0 7 -4,-1.7 -1,-0.3 -3,-0.1 -2,-0.2 0.419 128.9 -92.0 -91.8 2.5 2.7 5.1 59.7 366 143 B G T < 5 - 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