==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-SEP-04 1W7F . COMPND 2 MOLECULE: BETA-LACTAMASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS LICHENIFORMIS; . AUTHOR S.PETRELLA,E.SAUVAGE,R.HERMAN,P.CHARLIER . 510 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22161.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 357 70.0 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 . 73 14.3 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 . 15 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 160 31.4 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 0 0 0 2 3 3 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 3 1 1 3 0 0 3 1 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 0 117 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-171.2 -19.9 7.2 -3.5 2 32 A D H > + 0 0 91 1,-0.2 4,-1.1 2,-0.2 248,-0.1 0.861 360.0 46.6 -53.6 -44.0 -18.6 3.7 -2.7 3 33 A F H > S+ 0 0 8 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.873 110.2 51.8 -70.2 -37.6 -16.7 4.8 0.4 4 34 A A H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.898 107.3 54.8 -65.0 -37.8 -19.6 6.8 1.9 5 35 A K H X S+ 0 0 137 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.838 106.8 51.0 -63.1 -33.5 -21.8 3.7 1.4 6 36 A L H X S+ 0 0 20 -4,-1.1 4,-2.2 2,-0.2 -1,-0.2 0.876 105.4 54.5 -71.7 -37.8 -19.3 1.7 3.4 7 37 A E H X>S+ 0 0 25 -4,-1.9 5,-1.2 1,-0.2 4,-0.8 0.838 111.8 47.1 -63.9 -30.7 -19.4 4.3 6.2 8 38 A E H <5S+ 0 0 133 -4,-1.6 -2,-0.2 2,-0.2 -1,-0.2 0.918 111.6 48.1 -75.3 -46.5 -23.1 3.8 6.3 9 39 A Q H <5S+ 0 0 146 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.807 126.6 28.8 -65.6 -29.6 -23.1 0.0 6.2 10 40 A F H <5S- 0 0 28 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.442 98.6-131.2-110.7 -1.3 -20.5 -0.1 9.0 11 41 A D T <5 + 0 0 107 -4,-0.8 222,-0.3 -5,-0.2 2,-0.3 0.955 67.8 116.5 46.7 59.4 -21.4 3.1 10.8 12 42 A A < - 0 0 12 -5,-1.2 2,-0.4 220,-0.1 220,-0.2 -0.945 68.7-110.9-148.2 162.6 -17.8 4.2 10.9 13 43 A K E -A 231 0A 60 218,-2.7 218,-1.3 -2,-0.3 2,-0.4 -0.855 32.6-143.9-100.3 135.7 -15.6 7.0 9.5 14 44 A L E -A 230 0A 0 -2,-0.4 2,-0.6 216,-0.2 216,-0.2 -0.871 13.6-168.9-107.2 133.3 -13.1 5.9 6.8 15 45 A G E +A 229 0A 0 214,-3.2 214,-3.8 -2,-0.4 2,-0.4 -0.961 21.2 174.0-119.0 112.4 -9.6 7.4 6.2 16 46 A I E +AB 228 29A 0 13,-3.1 13,-1.9 -2,-0.6 2,-0.3 -0.969 18.0 162.1-131.7 132.6 -8.1 6.3 2.9 17 47 A F E +AB 227 28A 14 210,-2.1 210,-2.5 -2,-0.4 2,-0.4 -0.955 9.3 171.4-143.8 122.4 -4.9 7.0 1.0 18 48 A A E -AB 226 27A 0 9,-1.9 9,-1.9 -2,-0.3 2,-0.4 -0.999 8.0-171.1-133.2 134.2 -3.6 4.9 -1.9 19 49 A L E -AB 225 26A 17 206,-2.6 206,-2.6 -2,-0.4 2,-1.0 -0.986 18.2-148.4-130.6 122.5 -0.7 5.7 -4.3 20 50 A D E >> -A 224 0A 31 5,-2.9 4,-3.0 -2,-0.4 3,-1.3 -0.803 15.2-157.6 -85.7 105.7 0.3 3.7 -7.3 21 51 A T T 34 S+ 0 0 45 202,-2.1 -1,-0.2 -2,-1.0 203,-0.1 0.585 87.1 54.6 -64.1 -9.4 4.0 4.4 -7.3 22 52 A G T 34 S+ 0 0 40 201,-0.3 -1,-0.2 200,-0.2 202,-0.1 0.629 125.0 17.2 -98.8 -15.3 4.2 3.6 -11.0 23 53 A T T <4 S- 0 0 81 -3,-1.3 -2,-0.2 2,-0.2 3,-0.1 0.484 91.9-126.1-129.8 -12.9 1.6 6.0 -12.3 24 54 A N < + 0 0 128 -4,-3.0 2,-0.3 1,-0.3 -3,-0.1 0.693 59.7 147.0 68.4 18.5 1.1 8.4 -9.4 25 55 A R - 0 0 168 -5,-0.5 -5,-2.9 230,-0.1 -1,-0.3 -0.681 28.5-166.7 -83.6 141.4 -2.6 7.7 -9.5 26 56 A T E -B 19 0A 71 -2,-0.3 2,-0.4 -7,-0.2 -7,-0.2 -0.847 24.1-149.9-129.6 164.8 -4.2 7.8 -6.1 27 57 A V E +B 18 0A 15 -9,-1.9 -9,-1.9 -2,-0.3 2,-0.3 -0.986 30.0 173.9-133.0 119.2 -7.4 6.9 -4.3 28 59 A T E +B 17 0A 62 -2,-0.4 2,-0.2 -11,-0.2 -11,-0.2 -0.944 20.5 166.5-133.2 154.6 -8.3 9.2 -1.4 29 60 A Y E S-B 16 0A 39 -13,-1.9 -13,-3.1 -2,-0.3 121,-0.1 -0.767 87.0 -17.3-164.5 111.5 -11.2 9.6 1.1 30 61 A R S > S+ 0 0 86 -2,-0.2 3,-1.4 -15,-0.2 120,-0.4 0.907 83.2 166.8 51.5 42.1 -10.7 11.8 4.2 31 62 A P T 3 S+ 0 0 19 0, 0.0 120,-2.4 0, 0.0 121,-0.4 0.719 70.0 40.3 -60.7 -22.1 -7.0 11.4 3.5 32 63 A D T 3 S+ 0 0 92 118,-0.2 2,-0.3 117,-0.2 -2,-0.1 0.269 85.5 111.8-113.4 11.1 -6.1 14.2 5.9 33 64 A E S < S- 0 0 70 -3,-1.4 117,-0.5 1,-0.1 2,-0.1 -0.679 70.5-112.6 -84.7 141.1 -8.5 13.5 8.8 34 65 A R + 0 0 91 -2,-0.3 2,-0.3 115,-0.1 115,-0.2 -0.422 36.9 172.4 -77.1 145.2 -6.8 12.4 12.0 35 66 A F E -E 148 0B 6 113,-2.3 113,-2.1 -2,-0.1 2,-0.3 -0.957 45.6 -95.3-143.2 153.7 -7.3 8.9 13.5 36 67 A A E -E 147 0B 8 -2,-0.3 111,-0.3 111,-0.2 194,-0.2 -0.587 34.9-147.7 -67.8 130.9 -5.5 7.2 16.4 37 68 A F > + 0 0 1 109,-1.7 3,-1.6 -2,-0.3 -1,-0.2 0.801 27.3 177.9 -76.9 -22.9 -2.8 5.3 14.6 38 69 A A G > - 0 0 0 108,-0.5 3,-1.8 98,-0.3 4,-0.2 -0.216 65.1 -12.1 54.2-147.1 -2.7 2.5 17.2 39 70 A S G > S+ 0 0 10 1,-0.3 3,-1.8 165,-0.2 4,-0.4 0.537 115.6 85.5 -64.2 -6.9 -0.3 -0.4 16.3 40 71 A T G X> S+ 0 0 1 -3,-1.6 3,-1.3 1,-0.3 4,-0.9 0.820 79.3 70.6 -62.8 -23.9 0.4 0.8 12.8 41 72 A I H <> S+ 0 0 3 -3,-1.8 4,-2.2 1,-0.3 -1,-0.3 0.747 81.5 73.2 -62.8 -23.3 3.0 3.0 14.5 42 73 A K H <> S+ 0 0 0 -3,-1.8 4,-1.9 1,-0.2 -1,-0.3 0.857 93.3 53.3 -60.5 -35.0 5.0 -0.2 15.2 43 74 A A H <> S+ 0 0 1 -3,-1.3 4,-1.7 -4,-0.4 -1,-0.2 0.922 111.1 44.0 -67.3 -44.3 6.0 -0.3 11.5 44 75 A L H X S+ 0 0 0 -4,-0.9 4,-2.0 2,-0.2 -2,-0.2 0.817 110.3 57.8 -69.3 -30.1 7.3 3.2 11.5 45 76 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.900 108.9 43.5 -66.4 -42.9 9.1 2.5 14.8 46 77 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.838 109.4 59.6 -70.7 -31.1 11.0 -0.4 13.3 47 78 A G H X S+ 0 0 0 -4,-1.7 4,-0.8 1,-0.2 -2,-0.2 0.924 109.4 41.9 -61.7 -42.4 11.6 1.8 10.3 48 79 A V H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 3,-0.3 0.863 111.6 56.0 -71.7 -35.8 13.4 4.4 12.6 49 80 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.900 105.8 50.8 -61.9 -40.8 15.2 1.5 14.4 50 81 A L H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.743 105.9 58.2 -68.6 -22.8 16.6 0.3 11.2 51 82 A Q H < S+ 0 0 58 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.870 116.0 32.4 -72.0 -38.8 17.8 3.8 10.5 52 83 A Q H < S+ 0 0 78 -4,-1.5 2,-0.3 -3,-0.2 -2,-0.2 0.777 111.9 64.1 -90.7 -31.8 19.8 3.9 13.7 53 86 A K < - 0 0 34 -4,-2.6 2,-0.1 -5,-0.2 -1,-0.0 -0.748 69.7-135.6-103.6 145.6 21.0 0.3 14.1 54 87 A S > - 0 0 50 -2,-0.3 4,-0.9 1,-0.1 -2,-0.1 -0.417 36.6-105.4 -83.2 167.3 23.3 -1.8 12.0 55 88 A I T >4 S+ 0 0 70 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.889 124.9 54.7 -61.5 -36.0 22.2 -5.4 11.3 56 89 A E G >4 S+ 0 0 132 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.893 100.6 59.2 -61.9 -42.3 24.9 -6.5 13.8 57 90 A D G >4 S+ 0 0 66 1,-0.3 3,-1.6 2,-0.2 29,-0.3 0.768 92.7 68.6 -58.4 -28.2 23.4 -4.2 16.5 58 91 A L G << S+ 0 0 2 -4,-0.9 29,-2.5 -3,-0.6 28,-0.8 0.694 86.2 67.5 -67.7 -18.5 20.1 -6.1 16.2 59 92 A N G < S+ 0 0 89 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.571 72.2 120.4 -78.1 -7.4 21.7 -9.1 17.8 60 93 A Q < - 0 0 93 -3,-1.6 26,-1.5 -4,-0.2 2,-0.4 -0.388 66.7-127.4 -60.2 127.2 22.0 -7.2 21.0 61 94 A R E -F 85 0C 126 24,-0.2 2,-0.5 -2,-0.1 24,-0.3 -0.644 19.7-158.4 -82.0 128.9 20.1 -9.1 23.7 62 95 A I E -F 84 0C 14 22,-3.4 22,-2.6 -2,-0.4 2,-0.3 -0.925 7.0-159.4-108.4 126.2 17.6 -7.0 25.7 63 96 A T + 0 0 106 -2,-0.5 2,-0.3 20,-0.2 17,-0.1 -0.731 18.7 158.2-103.9 156.4 16.5 -8.2 29.1 64 97 A Y - 0 0 12 16,-0.5 2,-0.3 -2,-0.3 19,-0.1 -0.912 26.1-120.2-159.1-179.3 13.4 -7.3 30.9 65 98 A T >> - 0 0 73 -2,-0.3 3,-1.5 16,-0.0 4,-1.1 -0.816 36.4 -90.3-132.4 172.3 11.1 -8.6 33.7 66 99 A R T 34 S+ 0 0 156 1,-0.3 3,-0.1 -2,-0.3 -1,-0.0 0.786 124.4 54.8 -49.7 -31.2 7.5 -9.6 34.4 67 100 A D T 34 S+ 0 0 145 1,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.762 96.9 60.7 -77.5 -26.5 6.8 -6.0 35.3 68 101 A D T <4 S+ 0 0 66 -3,-1.5 -1,-0.2 2,-0.0 -2,-0.2 0.811 86.2 101.6 -68.6 -27.9 8.0 -4.5 32.1 69 102 A L < - 0 0 27 -4,-1.1 4,-0.0 -3,-0.1 2,-0.0 -0.271 56.2-169.4 -58.6 137.1 5.3 -6.6 30.4 70 103 A V - 0 0 43 2,-0.1 3,-0.2 64,-0.0 -1,-0.1 0.109 42.6 -60.2-104.0-139.3 2.2 -4.7 29.5 71 104 A N S S+ 0 0 100 1,-0.2 2,-0.4 28,-0.0 -2,-0.1 0.739 119.9 32.4 -86.0 -27.0 -1.3 -5.8 28.2 72 105 A Y + 0 0 115 1,-0.0 27,-3.1 25,-0.0 28,-0.5 -0.798 63.4 146.7-136.4 94.6 -0.6 -7.7 25.0 73 106 A N > + 0 0 11 -2,-0.4 4,-1.9 -3,-0.2 5,-0.2 -0.435 6.0 161.1-127.8 58.6 2.7 -9.5 25.0 74 107 A P T 4 S+ 0 0 27 0, 0.0 -1,-0.1 0, 0.0 23,-0.1 0.849 83.3 19.4 -46.3 -46.7 2.2 -12.7 22.9 75 108 A I T >4 S+ 0 0 44 17,-0.1 3,-1.7 2,-0.1 -2,-0.1 0.900 122.4 53.0 -93.4 -49.7 5.9 -13.3 22.3 76 109 A T G >4 S+ 0 0 0 1,-0.3 3,-1.5 2,-0.2 7,-0.1 0.751 97.9 65.3 -60.5 -28.5 7.8 -11.3 24.9 77 110 A E G 3< S+ 0 0 71 -4,-1.9 -1,-0.3 1,-0.3 3,-0.2 0.606 99.2 56.3 -71.9 -7.7 5.9 -12.8 27.9 78 111 A K G < S+ 0 0 137 -3,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.290 108.5 44.6-103.9 6.1 7.5 -16.2 27.0 79 112 A H X> + 0 0 69 -3,-1.5 4,-2.9 -4,-0.1 3,-1.5 0.120 68.5 118.0-137.8 22.4 11.1 -15.0 27.1 80 113 A V T 34 S+ 0 0 17 1,-0.3 -16,-0.5 -3,-0.2 -2,-0.1 0.909 79.2 51.6 -56.0 -46.2 11.3 -12.9 30.4 81 114 A D T 34 S+ 0 0 149 1,-0.2 -1,-0.3 -18,-0.1 -2,-0.1 0.418 123.8 27.3 -74.7 1.6 13.8 -15.2 31.9 82 115 A T T <4 S- 0 0 85 -3,-1.5 -2,-0.2 -20,-0.1 -1,-0.2 0.526 97.3-137.3-135.9 -16.5 16.1 -15.1 28.9 83 116 A G < - 0 0 1 -4,-2.9 2,-0.3 -7,-0.1 -20,-0.2 -0.136 18.4-105.2 78.4 176.7 15.5 -11.7 27.2 84 117 A M E -F 62 0C 4 -22,-2.6 -22,-3.4 -4,-0.1 2,-0.0 -0.991 21.7-114.9-142.4 147.2 15.2 -11.2 23.4 85 118 A T E > -F 61 0C 17 -2,-0.3 4,-2.1 -24,-0.3 -24,-0.2 -0.338 34.8-109.2 -75.5 165.4 17.6 -9.7 20.8 86 119 A L H > S+ 0 0 0 -26,-1.5 4,-2.2 -28,-0.8 -27,-0.2 0.873 120.4 55.0 -63.3 -34.4 16.5 -6.5 19.0 87 120 A K H > S+ 0 0 104 -29,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.873 109.1 46.9 -65.7 -37.5 15.9 -8.5 15.8 88 121 A E H > S+ 0 0 85 -30,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.851 110.9 51.7 -70.6 -38.1 13.5 -10.8 17.7 89 122 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.885 109.3 50.7 -66.3 -38.0 11.7 -7.9 19.3 90 123 A A H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 5,-0.3 0.872 109.7 50.7 -66.6 -38.3 11.2 -6.3 15.9 91 124 A D H X S+ 0 0 33 -4,-1.6 4,-2.8 1,-0.2 5,-0.4 0.929 112.9 45.2 -65.4 -45.4 9.8 -9.5 14.5 92 125 A A H X S+ 0 0 1 -4,-2.2 6,-2.3 2,-0.2 4,-1.1 0.806 113.0 50.3 -69.6 -31.7 7.3 -9.9 17.4 93 126 A S H X S+ 0 0 0 -4,-2.0 4,-0.6 4,-0.3 -2,-0.2 0.944 120.0 35.0 -71.5 -47.3 6.2 -6.2 17.2 94 127 A L H < S+ 0 0 0 -4,-2.1 108,-0.2 -5,-0.2 -2,-0.2 0.914 127.6 33.7 -73.4 -46.0 5.6 -6.3 13.5 95 128 A R H < S+ 0 0 34 -4,-2.8 87,-2.0 -5,-0.3 88,-0.3 0.749 135.8 21.3 -86.9 -25.4 4.3 -9.8 13.0 96 129 A Y H < S- 0 0 81 -4,-1.1 -3,-0.2 -5,-0.4 -2,-0.2 0.388 95.9-125.6-119.7 -2.0 2.4 -10.4 16.3 97 130 A S < - 0 0 11 -4,-0.6 2,-0.3 -6,-0.2 -4,-0.3 0.842 37.9-171.9 58.5 36.3 1.9 -6.8 17.3 98 131 A D > - 0 0 0 -6,-2.3 4,-1.7 1,-0.1 -25,-0.2 -0.445 15.3-154.0 -63.2 120.3 3.5 -7.5 20.6 99 132 A N H > S+ 0 0 8 -27,-3.1 4,-1.5 -2,-0.3 34,-0.3 0.784 91.4 48.7 -69.2 -31.9 3.1 -4.4 22.9 100 133 A T H > S+ 0 0 2 -28,-0.5 4,-2.6 2,-0.2 5,-0.2 0.882 107.7 55.7 -76.0 -37.9 6.1 -4.9 25.1 101 134 A A H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 108.2 49.2 -57.9 -46.4 8.3 -5.5 22.1 102 135 A Q H X S+ 0 0 1 -4,-1.7 4,-3.3 1,-0.2 -1,-0.2 0.898 110.7 50.2 -60.0 -41.2 7.2 -2.1 20.7 103 136 A N H X S+ 0 0 19 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.909 111.5 47.0 -65.7 -41.8 7.9 -0.4 24.1 104 137 A L H X S+ 0 0 12 -4,-2.6 4,-1.5 2,-0.2 -1,-0.2 0.873 115.8 45.8 -67.1 -38.0 11.4 -1.9 24.3 105 138 A I H X S+ 0 0 0 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.943 112.0 51.3 -67.7 -49.3 12.1 -0.9 20.7 106 139 A L H ><>S+ 0 0 2 -4,-3.3 5,-2.8 1,-0.3 3,-0.5 0.899 108.8 51.2 -53.5 -45.1 10.7 2.5 21.3 107 140 A K H ><5S+ 0 0 128 -4,-2.4 3,-1.3 1,-0.2 -1,-0.3 0.896 105.3 58.7 -60.8 -38.7 12.9 2.9 24.4 108 141 A Q H 3<5S+ 0 0 52 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.793 106.9 45.5 -60.9 -32.9 15.9 1.9 22.2 109 142 A I T <<5S- 0 0 7 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.357 131.2 -85.1 -96.0 5.9 15.4 4.7 19.7 110 143 A G T <>5 - 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