==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 07-MAR-10 3M2K . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR Y.X.ZHAO,Y.C.LEUNG,W.T.WONG . 496 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 356 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 152 30.6 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 0 0 1 0 0 1 5 3 4 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 0 2 2 2 2 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 0 174 0, 0.0 4,-1.0 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 -90.1 -25.8 -12.6 -3.4 2 32 A D H > + 0 0 64 1,-0.2 4,-1.2 2,-0.2 3,-0.1 0.820 360.0 71.0 -52.1 -36.4 -26.4 -13.2 -7.1 3 33 A F H > S+ 0 0 14 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.824 96.1 47.8 -55.1 -29.5 -24.2 -16.3 -6.6 4 34 A A H > S+ 0 0 40 -3,-0.4 4,-2.7 1,-0.2 5,-0.3 0.874 102.3 64.4 -81.3 -37.0 -27.0 -18.1 -4.6 5 35 A K H < S+ 0 0 106 -4,-1.0 4,-0.4 1,-0.2 -1,-0.2 0.772 107.1 43.9 -40.5 -45.2 -29.5 -17.1 -7.3 6 36 A L H X S+ 0 0 11 -4,-1.2 4,-2.0 2,-0.2 -1,-0.2 0.672 105.0 59.1 -82.9 -21.3 -27.5 -19.3 -9.7 7 37 A E H <>S+ 0 0 24 -4,-0.9 5,-2.9 -3,-0.2 -2,-0.2 0.942 114.1 39.7 -78.4 -32.7 -27.0 -22.2 -7.4 8 38 A E T <5S+ 0 0 163 -4,-2.7 -1,-0.2 3,-0.2 -2,-0.2 0.716 113.5 56.8 -71.2 -24.1 -30.7 -22.5 -7.2 9 39 A Q T 45S+ 0 0 105 -4,-0.4 -2,-0.2 -5,-0.3 -1,-0.2 0.852 121.1 25.9 -76.4 -27.4 -31.0 -21.7 -10.8 10 40 A F T <5S- 0 0 45 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.310 106.4-118.0-120.0 22.3 -28.8 -24.6 -11.8 11 41 A D T 5S+ 0 0 91 1,-0.2 2,-0.3 -4,-0.2 212,-0.3 0.949 74.9 102.8 48.9 57.1 -29.4 -26.7 -8.9 12 42 A A < - 0 0 17 -5,-2.9 2,-0.4 -6,-0.2 210,-0.2 -0.968 69.3-102.5-159.9 176.8 -25.7 -26.7 -7.7 13 43 A K E -A 221 0A 68 208,-2.8 208,-1.6 -2,-0.3 2,-0.5 -0.854 30.1-150.7-113.8 141.6 -23.1 -25.6 -5.6 14 44 A L E -A 220 0A 0 -2,-0.4 2,-0.5 206,-0.2 206,-0.3 -0.982 7.6-161.7-116.7 123.1 -20.6 -23.1 -6.7 15 45 A G E +A 219 0A 0 204,-2.6 204,-3.7 -2,-0.5 2,-0.3 -0.950 27.0 175.7 -87.8 117.8 -16.9 -22.7 -5.5 16 46 A I E +AB 218 29A 0 13,-3.4 13,-4.1 -2,-0.5 2,-0.3 -0.951 20.7 148.8-143.5 125.6 -15.6 -19.1 -6.3 17 47 A F E +AB 217 28A 17 200,-1.3 200,-2.8 -2,-0.3 2,-0.4 -0.998 12.5 173.3-141.1 130.1 -12.5 -16.9 -5.8 18 48 A A E -AB 216 27A 0 9,-1.9 9,-2.2 -2,-0.3 2,-0.4 -0.991 10.4-164.7-134.4 145.6 -11.3 -14.2 -8.1 19 49 A L E -AB 215 26A 19 196,-3.0 196,-2.3 -2,-0.4 2,-0.6 -0.993 13.8-144.1-135.1 134.1 -8.5 -12.0 -7.4 20 50 A D E > -A 214 0A 23 5,-2.8 4,-1.9 -2,-0.4 5,-0.3 -0.841 14.4-164.2 -93.6 116.2 -7.7 -8.8 -9.2 21 51 A T T >4 S+ 0 0 10 192,-1.5 3,-1.0 -2,-0.6 -1,-0.2 0.989 80.4 56.7 -64.0 -67.4 -3.9 -8.5 -9.3 22 52 A G T 34 S+ 0 0 47 191,-0.6 -1,-0.2 1,-0.3 192,-0.1 0.766 132.6 12.9 -40.8 -29.5 -3.2 -4.9 -10.2 23 53 A T T 34 S- 0 0 62 -3,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.372 94.5-126.1-130.7 -6.8 -5.3 -3.9 -7.1 24 54 A N << + 0 0 108 -4,-1.9 -3,-0.2 -3,-1.0 -2,-0.1 0.485 53.7 147.8 63.8 5.1 -5.9 -7.1 -4.8 25 55 A R - 0 0 121 -5,-0.3 -5,-2.8 -6,-0.1 2,-0.3 -0.305 31.0-154.2 -68.2 169.0 -9.6 -6.9 -4.6 26 56 A T E -B 19 0A 77 -7,-0.2 2,-0.4 -3,-0.1 -7,-0.2 -0.960 22.5-152.2-150.8 139.9 -11.3 -10.1 -4.4 27 57 A V E +B 18 0A 17 -9,-2.2 -9,-1.9 -2,-0.3 2,-0.4 -0.975 27.2 179.9-124.7 123.4 -14.4 -11.9 -5.1 28 59 A A E +B 17 0A 48 -2,-0.4 2,-0.3 -11,-0.2 -11,-0.3 -0.985 18.6 164.0-129.5 141.1 -15.1 -14.8 -3.0 29 60 A Y E S-B 16 0A 38 -13,-4.1 -13,-3.4 -2,-0.4 111,-0.1 -0.824 84.3 -25.1-157.6 112.8 -17.9 -17.2 -2.7 30 61 A R S > S+ 0 0 106 -2,-0.3 3,-1.4 -15,-0.2 110,-0.4 0.927 81.6 168.7 39.7 60.2 -17.4 -20.4 -0.8 31 62 A P T 3 + 0 0 20 0, 0.0 110,-1.7 0, 0.0 111,-0.3 0.837 65.7 43.8 -74.9 -18.0 -13.8 -20.0 -1.4 32 63 A D T 3 S+ 0 0 96 108,-0.1 2,-0.3 107,-0.1 -2,-0.1 0.131 84.6 112.8-108.2 30.8 -12.6 -22.6 0.9 33 64 A E < - 0 0 68 -3,-1.4 107,-0.6 1,-0.0 2,-0.2 -0.763 67.5-112.8-104.8 142.5 -15.0 -25.4 0.3 34 65 A R E +E 139 0B 76 -2,-0.3 2,-0.3 105,-0.1 105,-0.2 -0.510 38.4 162.4 -81.5 147.5 -13.8 -28.6 -1.4 35 66 A F E -E 138 0B 6 103,-1.0 103,-2.4 -2,-0.2 2,-0.2 -0.897 51.9 -93.3-162.2 141.5 -14.7 -29.8 -4.9 36 67 A A E -E 137 0B 37 -2,-0.3 101,-0.3 101,-0.3 100,-0.1 -0.486 30.5-140.8 -73.0 133.0 -12.8 -32.5 -6.8 37 68 A F > + 0 0 12 99,-0.8 3,-2.1 -2,-0.2 4,-0.3 0.811 35.2 176.9 -64.2 -15.1 -10.2 -30.6 -9.1 38 69 A A G > - 0 0 24 98,-0.6 3,-1.2 1,-0.2 -1,-0.2 -0.135 63.9 -14.6 37.1-130.5 -10.9 -33.0 -11.8 39 70 A S G > S+ 0 0 26 155,-0.3 3,-1.4 1,-0.2 4,-0.4 0.568 114.9 87.8 -86.4 3.1 -8.9 -32.1 -15.0 40 71 A T G X> S+ 0 0 0 -3,-2.1 3,-0.7 1,-0.2 4,-0.6 0.671 77.1 74.0 -62.9 -9.3 -8.0 -28.5 -13.9 41 72 A I H <> S+ 0 0 16 -3,-1.2 4,-2.2 1,-0.3 -1,-0.2 0.529 76.2 76.3 -78.6 -6.8 -4.9 -30.2 -12.3 42 73 A K H <> S+ 0 0 4 -3,-1.4 4,-1.7 1,-0.2 -1,-0.3 0.873 90.0 55.4 -78.0 -30.1 -3.5 -30.7 -15.7 43 74 A A H <> S+ 0 0 3 -3,-0.7 4,-0.7 -4,-0.4 -1,-0.2 0.908 112.9 40.8 -59.1 -37.4 -2.6 -27.0 -15.6 44 75 A L H X S+ 0 0 2 -4,-0.6 4,-1.9 1,-0.2 3,-0.5 0.869 107.1 62.0 -88.8 -24.9 -0.6 -27.5 -12.4 45 76 A T H X S+ 0 0 0 -4,-2.2 4,-1.2 1,-0.3 -1,-0.2 0.859 107.7 45.9 -66.7 -34.8 0.9 -30.8 -13.5 46 77 A V H X S+ 0 0 0 -4,-1.7 4,-1.9 2,-0.2 -1,-0.3 0.654 103.5 60.6 -82.3 -18.0 2.5 -28.9 -16.3 47 78 A G H X S+ 0 0 0 -4,-0.7 4,-1.3 -3,-0.5 -2,-0.2 0.958 110.2 43.1 -73.4 -45.3 3.7 -26.1 -14.2 48 79 A V H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.878 109.8 59.2 -51.0 -42.3 5.7 -28.6 -12.2 49 80 A L H < S+ 0 0 1 -4,-1.2 4,-0.5 1,-0.3 -2,-0.2 0.905 105.6 46.3 -69.1 -38.0 6.8 -30.3 -15.4 50 81 A L H < S+ 0 0 0 -4,-1.9 3,-0.5 1,-0.3 -1,-0.3 0.785 105.4 60.6 -74.8 -27.3 8.4 -27.2 -16.8 51 82 A Q H < S+ 0 0 66 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.962 110.9 44.2 -51.0 -44.9 10.1 -26.6 -13.6 52 83 A Q S < S+ 0 0 78 -4,-2.0 2,-0.4 -5,-0.1 -2,-0.2 0.412 109.2 51.4 -92.7 -9.0 11.6 -29.8 -14.1 53 86 A K S S- 0 0 38 -4,-0.5 2,-0.1 -3,-0.5 5,-0.0 -0.996 70.2-125.3-125.8 145.8 12.8 -29.9 -17.9 54 87 A S > - 0 0 42 -2,-0.4 4,-1.2 1,-0.1 3,-0.3 -0.319 42.2-105.6 -59.1 164.3 14.8 -27.6 -20.2 55 88 A I T 4 S+ 0 0 42 1,-0.3 4,-0.4 2,-0.2 -1,-0.1 0.685 125.2 57.5 -81.8 -12.0 12.9 -26.7 -23.2 56 89 A E T >4 S+ 0 0 152 2,-0.2 3,-1.2 1,-0.1 -1,-0.3 0.830 97.3 59.5 -71.1 -34.6 15.1 -29.0 -25.0 57 90 A D G >4 S+ 0 0 81 -3,-0.3 3,-1.2 1,-0.3 29,-0.2 0.743 96.2 65.4 -60.5 -24.4 14.0 -31.9 -22.7 58 91 A L G 3< S+ 0 0 0 -4,-1.2 29,-3.5 1,-0.3 30,-0.3 0.678 90.5 62.1 -76.8 -29.8 10.6 -31.2 -23.9 59 92 A N G < S+ 0 0 85 -3,-1.2 -1,-0.3 -4,-0.4 2,-0.3 0.607 72.3 121.6 -57.5 -13.2 11.5 -32.3 -27.4 60 93 A Q < - 0 0 96 -3,-1.2 26,-1.6 -4,-0.3 27,-0.1 -0.413 67.8-129.4 -67.7 109.3 12.3 -35.8 -26.0 61 94 A R E -F 85 0C 127 -2,-0.3 2,-0.5 24,-0.2 24,-0.3 -0.339 20.5-142.4 -57.8 145.8 10.0 -38.0 -28.1 62 95 A I E -F 84 0C 20 22,-1.6 22,-1.7 -3,-0.0 2,-0.5 -0.974 6.6-152.4-123.9 124.2 7.9 -40.4 -26.0 63 96 A T + 0 0 113 -2,-0.5 2,-0.3 20,-0.2 20,-0.1 -0.782 26.1 153.6-102.9 134.1 7.0 -43.9 -27.0 64 97 A Y - 0 0 18 -2,-0.5 2,-0.2 16,-0.3 -2,-0.0 -0.920 27.3-134.0-152.3 173.5 3.9 -45.5 -25.7 65 98 A T > - 0 0 59 -2,-0.3 3,-1.4 18,-0.0 4,-0.3 -0.664 40.6 -85.2-131.8 171.0 1.5 -48.2 -26.7 66 99 A R T 3 S+ 0 0 171 1,-0.2 3,-0.2 -2,-0.2 15,-0.0 0.514 117.2 70.4 -61.6 -5.7 -2.3 -48.8 -27.0 67 100 A D T 3 S+ 0 0 139 1,-0.2 -1,-0.2 0, 0.0 -3,-0.0 0.723 88.5 61.4 -81.9 -24.1 -2.3 -49.9 -23.2 68 101 A D S < S+ 0 0 52 -3,-1.4 -1,-0.2 2,-0.0 -2,-0.2 0.556 80.9 106.7 -76.1 -12.3 -1.6 -46.5 -22.0 69 102 A L + 0 0 32 -4,-0.3 2,-0.1 -3,-0.2 4,-0.1 -0.438 45.5 173.6 -67.9 136.1 -4.9 -45.4 -23.5 70 103 A V - 0 0 65 -2,-0.2 3,-0.1 2,-0.1 -1,-0.1 -0.178 54.2 -56.5-113.5-132.7 -7.6 -44.7 -20.9 71 104 A N S S+ 0 0 141 1,-0.2 2,-0.4 -2,-0.1 -2,-0.1 0.737 121.8 38.0 -97.2 -25.6 -11.2 -43.2 -21.6 72 105 A Y + 0 0 110 1,-0.1 27,-2.2 4,-0.0 28,-1.1 -0.924 59.3 145.7-126.4 113.9 -10.5 -39.9 -23.3 73 106 A N > + 0 0 17 -2,-0.4 4,-2.3 25,-0.2 5,-0.4 -0.219 9.1 157.2-135.1 47.7 -7.5 -39.8 -25.8 74 107 A P T 4 S+ 0 0 25 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.860 80.1 17.5 -69.4 -39.4 -8.6 -37.5 -28.3 75 108 A I T >4 S+ 0 0 29 17,-0.2 3,-1.1 2,-0.1 -2,-0.1 0.765 122.0 61.7 -77.3 -32.7 -5.1 -36.5 -29.7 76 109 A T G >> S+ 0 0 0 1,-0.3 3,-1.2 2,-0.2 4,-0.8 0.783 92.0 60.6 -80.6 -24.9 -3.2 -39.4 -28.3 77 110 A E G 3< S+ 0 0 86 -4,-2.3 -1,-0.3 1,-0.3 4,-0.2 0.675 92.6 72.5 -76.1 -5.6 -4.9 -42.3 -30.1 78 111 A K G <4 S+ 0 0 91 -3,-1.1 -1,-0.3 -5,-0.4 4,-0.2 0.557 108.8 25.5 -82.1 3.2 -3.8 -40.7 -33.2 79 112 A H T <> + 0 0 59 -3,-1.2 4,-1.9 2,-0.1 -2,-0.2 0.600 60.3 121.5-142.6 -17.9 -0.3 -41.7 -32.7 80 113 A V T < S+ 0 0 22 -4,-0.8 -16,-0.3 1,-0.2 -2,-0.1 0.812 89.7 59.5 -42.2 -26.9 0.6 -44.7 -30.6 81 114 A D T 4 S+ 0 0 155 -4,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.986 118.5 21.8 -54.8 -79.7 2.3 -45.7 -34.0 82 115 A T T 4 S- 0 0 80 -4,-0.2 -2,-0.2 1,-0.1 2,-0.2 0.900 105.2-130.3 -43.4 -58.6 4.6 -42.8 -34.4 83 116 A G < - 0 0 1 -4,-1.9 2,-0.3 -7,-0.1 -20,-0.2 -0.513 14.3-114.4 106.0 166.3 4.9 -41.6 -30.8 84 117 A M E -F 62 0C 3 -22,-1.7 -22,-1.6 -2,-0.2 2,-0.3 -0.977 22.1-122.4-145.1 143.3 4.4 -37.9 -29.5 85 118 A T E >> -F 61 0C 17 -2,-0.3 3,-1.2 -24,-0.3 4,-1.2 -0.675 29.2-105.4-103.8 148.0 7.0 -35.6 -27.8 86 119 A L H 3> S+ 0 0 0 -26,-1.6 4,-3.0 1,-0.3 5,-0.3 0.780 123.4 50.4 -48.0 -42.4 6.7 -34.0 -24.4 87 120 A K H 3> S+ 0 0 82 -29,-3.5 4,-2.7 2,-0.2 -1,-0.3 0.993 111.5 51.4 -53.3 -50.8 5.9 -30.6 -25.7 88 121 A E H <> S+ 0 0 79 -3,-1.2 4,-2.1 -30,-0.3 -2,-0.3 0.834 110.4 48.6 -47.5 -40.6 3.3 -32.4 -27.9 89 122 A L H X S+ 0 0 0 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.821 108.7 52.2 -69.3 -44.6 2.0 -34.1 -24.8 90 123 A A H X S+ 0 0 0 -4,-3.0 4,-1.4 -5,-0.2 5,-0.3 0.893 112.9 47.9 -48.3 -44.0 1.8 -30.7 -22.8 91 124 A D H >X>S+ 0 0 36 -4,-2.7 4,-3.4 -5,-0.3 3,-0.6 0.964 112.7 44.5 -65.4 -53.7 -0.2 -29.3 -25.7 92 125 A A H 3X5S+ 0 0 1 -4,-2.1 6,-1.6 1,-0.3 4,-0.9 0.797 113.9 52.8 -59.6 -33.3 -2.7 -32.2 -26.1 93 126 A S H 3<5S+ 0 0 0 -4,-1.4 -1,-0.3 4,-0.2 -2,-0.2 0.758 119.7 29.8 -80.5 -27.6 -3.2 -32.3 -22.4 94 127 A L H <<5S+ 0 0 1 -4,-1.4 79,-0.2 -3,-0.6 98,-0.2 0.778 125.3 38.2-102.5 -33.6 -3.9 -28.8 -21.9 95 128 A R H <5S+ 0 0 19 -4,-3.4 77,-3.3 -5,-0.3 78,-0.5 0.755 136.6 20.5 -86.7 -29.4 -5.6 -27.6 -25.1 96 129 A Y S < - 0 0 0 -6,-1.6 4,-1.1 1,-0.2 -1,-0.2 -0.581 14.7-158.7 -76.0 133.8 -6.3 -35.6 -23.2 99 132 A N H > S+ 0 0 37 -27,-2.2 4,-2.7 -2,-0.3 -1,-0.2 0.814 91.5 53.3 -87.9 -37.5 -6.2 -38.0 -20.2 100 133 A A H > S+ 0 0 1 -28,-1.1 4,-1.7 2,-0.2 -1,-0.2 0.938 106.7 52.4 -57.0 -49.8 -3.7 -40.3 -21.6 101 134 A A H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.870 109.9 50.1 -55.0 -45.0 -1.4 -37.4 -22.2 102 135 A Q H X S+ 0 0 16 -4,-1.1 4,-3.5 1,-0.2 -2,-0.2 0.981 106.5 55.8 -53.0 -62.1 -1.8 -36.4 -18.5 103 136 A N H X S+ 0 0 82 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.759 111.5 43.7 -35.8 -41.1 -1.1 -39.9 -17.4 104 137 A L H X S+ 0 0 17 -4,-1.7 4,-1.5 2,-0.2 -1,-0.3 0.900 109.9 52.7 -78.7 -44.0 2.2 -39.7 -19.2 105 138 A I H >X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-0.8 0.966 111.6 51.3 -58.1 -43.4 3.2 -36.3 -18.1 106 139 A L H >X>S+ 0 0 27 -4,-3.5 3,-2.6 1,-0.2 5,-1.9 0.937 103.0 54.4 -50.4 -53.5 2.6 -37.6 -14.6 107 140 A K H 3<5S+ 0 0 177 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.626 107.6 56.9 -68.6 -22.5 4.7 -40.8 -14.9 108 141 A Q H <<5S+ 0 0 63 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.637 106.9 42.4 -62.1 -36.4 7.5 -38.4 -15.9 109 142 A I H <<5S- 0 0 8 -3,-2.6 -2,-0.2 -4,-1.0 -1,-0.1 0.487 128.5 -95.7 -99.6 9.0 7.5 -36.2 -12.9 110 143 A G T X5 - 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