==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-MAY-10 3AIN . COMPND 2 MOLECULE: 303AA LONG HYPOTHETICAL ESTERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR C.ANGKAWIDJAJA,S.KANAYA . 1132 4 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 39629.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 876 77.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 127 11.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 64 5.7 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 . 4 0.4 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 . 120 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 134 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 32.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.4 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 4 0 0 0 0 7 4 4 0 8 1 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 5 9 3 3 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 0 2 4 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 2 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 A 0 0 104 0, 0.0 2,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 138.4 -23.6 18.6 7.4 2 22 A S > - 0 0 57 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.301 360.0-106.3 -72.9 164.7 -23.7 21.7 9.6 3 23 A V H > S+ 0 0 33 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.928 124.9 50.7 -56.8 -45.2 -22.5 21.7 13.2 4 24 A E H > S+ 0 0 112 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.867 108.7 51.4 -58.6 -44.0 -26.2 21.8 14.2 5 25 A E H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.920 112.0 46.4 -60.6 -40.3 -27.0 18.9 11.9 6 26 A I H X S+ 0 0 53 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.907 109.5 53.4 -70.5 -38.9 -24.2 16.9 13.4 7 27 A R H X S+ 0 0 27 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.925 111.9 46.8 -60.9 -39.2 -25.2 17.8 17.0 8 28 A S H X S+ 0 0 54 -4,-2.1 4,-2.6 1,-0.2 3,-0.3 0.936 107.9 55.5 -66.1 -45.4 -28.7 16.5 16.1 9 29 A L H X S+ 0 0 70 -4,-2.7 4,-3.1 1,-0.2 5,-0.3 0.873 102.4 57.2 -54.2 -40.9 -27.3 13.4 14.5 10 30 A F H X S+ 0 0 68 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.917 110.4 43.8 -55.2 -46.6 -25.5 12.5 17.8 11 31 A K H X S+ 0 0 98 -4,-1.3 4,-0.8 -3,-0.3 -2,-0.2 0.908 114.1 50.2 -68.2 -40.1 -28.8 12.6 19.7 12 32 A Q H >< S+ 0 0 106 -4,-2.6 3,-1.0 1,-0.2 4,-0.2 0.908 109.2 50.2 -62.9 -47.7 -30.6 10.7 16.9 13 33 A F H >< S+ 0 0 136 -4,-3.1 3,-1.6 1,-0.2 4,-0.3 0.859 102.9 63.5 -61.4 -33.5 -28.0 7.9 16.9 14 34 A S H >< S+ 0 0 9 -4,-1.6 3,-1.3 1,-0.3 -1,-0.2 0.757 90.5 65.3 -58.4 -27.4 -28.3 7.7 20.7 15 35 A S T << S+ 0 0 83 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.560 93.8 60.1 -80.0 -2.3 -31.9 6.6 20.4 16 36 A L T < S+ 0 0 129 -3,-1.6 -1,-0.3 -4,-0.2 -2,-0.2 0.583 92.5 81.5 -89.3 -16.1 -30.7 3.4 18.7 17 37 A T S < S- 0 0 23 -3,-1.3 242,-0.0 -4,-0.3 241,-0.0 -0.807 90.2-111.8 -98.3 126.8 -28.7 2.5 21.8 18 38 A P - 0 0 91 0, 0.0 2,-0.7 0, 0.0 -2,-0.1 -0.290 21.5-140.0 -64.1 140.6 -30.6 0.9 24.7 19 39 A R - 0 0 88 -4,-0.1 2,-0.1 55,-0.1 53,-0.1 -0.921 18.5-136.2-101.1 107.6 -30.9 3.0 27.8 20 40 A E - 0 0 54 -2,-0.7 2,-0.1 51,-0.3 58,-0.1 -0.435 24.8-108.1 -56.5 140.6 -30.4 0.8 30.9 21 41 A E - 0 0 149 -2,-0.1 2,-0.2 2,-0.0 24,-0.1 -0.417 42.3-175.5 -63.2 139.0 -32.8 1.3 33.8 22 42 A V - 0 0 14 -2,-0.1 3,-0.1 22,-0.1 52,-0.0 -0.529 37.8 -93.2-122.1-170.3 -31.3 3.1 36.7 23 43 A G S S- 0 0 46 20,-2.7 2,-0.3 1,-0.3 22,-0.1 0.902 92.1 -27.9 -69.5 -50.0 -32.6 4.0 40.2 24 44 A K E -A 43 0A 110 19,-1.0 19,-3.0 2,-0.0 2,-0.4 -0.927 55.4-147.6-169.2 139.3 -33.8 7.6 39.6 25 45 A I E +A 42 0A 61 -2,-0.3 2,-0.4 17,-0.2 17,-0.2 -1.000 14.6 179.7-118.9 140.7 -32.9 10.4 37.3 26 46 A E E -A 41 0A 78 15,-2.3 15,-3.3 -2,-0.4 2,-0.5 -0.997 20.3-143.4-134.9 136.8 -33.1 14.2 38.0 27 47 A D E +A 40 0A 75 -2,-0.4 2,-0.3 13,-0.2 13,-0.2 -0.803 30.7 178.5 -95.7 127.6 -32.3 17.1 35.8 28 48 A I E -A 39 0A 26 11,-3.0 11,-2.4 -2,-0.5 2,-0.5 -0.796 27.3-131.6-125.0 163.7 -30.7 20.0 37.8 29 49 A T E -A 38 0A 92 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.995 17.8-155.3-117.1 123.7 -29.3 23.4 37.1 30 50 A I E -A 37 0A 0 7,-3.1 7,-3.4 -2,-0.5 2,-1.1 -0.861 19.3-127.3-100.3 126.1 -25.9 24.3 38.6 31 51 A P E -A 36 0A 79 0, 0.0 5,-0.2 0, 0.0 2,-0.1 -0.681 36.3-170.8 -77.7 102.8 -25.2 28.0 39.2 32 52 A G - 0 0 21 3,-1.9 71,-0.1 -2,-1.1 70,-0.0 -0.322 35.9-110.0 -90.0 171.3 -21.9 28.6 37.4 33 53 A S S S+ 0 0 85 69,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.801 117.3 18.1 -68.9 -26.9 -19.6 31.6 37.5 34 54 A E S S+ 0 0 115 1,-0.3 2,-0.3 65,-0.1 -1,-0.2 0.493 133.2 1.0-120.1 -14.2 -20.4 32.4 33.9 35 55 A T S S- 0 0 49 -5,-0.1 -3,-1.9 68,-0.0 2,-0.6 -0.977 75.8 -91.7-165.1 163.8 -23.6 30.5 33.1 36 56 A N E -A 31 0A 117 -2,-0.3 2,-0.6 -5,-0.2 67,-0.0 -0.882 46.7-146.9 -89.8 125.1 -26.3 28.3 34.6 37 57 A I E -A 30 0A 2 -7,-3.4 -7,-3.1 -2,-0.6 2,-0.1 -0.848 1.4-140.9-105.6 116.1 -25.0 24.7 33.8 38 58 A K E +A 29 0A 83 -2,-0.6 50,-2.6 50,-0.5 2,-0.3 -0.456 26.7 176.9 -67.1 142.6 -27.5 22.0 33.1 39 59 A A E -AB 28 87A 0 -11,-2.4 -11,-3.0 48,-0.2 2,-0.5 -0.993 24.4-139.9-146.2 150.8 -26.7 18.6 34.5 40 60 A R E -AB 27 86A 23 46,-2.3 46,-2.7 -2,-0.3 2,-0.6 -0.959 15.6-153.2-112.9 125.2 -28.3 15.2 34.7 41 61 A V E -AB 26 85A 0 -15,-3.3 -15,-2.3 -2,-0.5 2,-0.5 -0.888 8.4-167.2-102.8 121.7 -28.1 13.2 37.9 42 62 A Y E -AB 25 84A 0 42,-3.1 42,-2.3 -2,-0.6 -17,-0.2 -0.950 3.0-161.4-109.9 125.0 -28.3 9.4 37.7 43 63 A Y E -A 24 0A 27 -19,-3.0 -20,-2.7 -2,-0.5 -19,-1.0 -0.806 18.4-125.4 -99.7 144.0 -28.8 7.4 40.9 44 64 A P - 0 0 4 0, 0.0 -22,-0.1 0, 0.0 34,-0.1 -0.205 23.9-108.9 -79.2 178.2 -28.0 3.7 40.9 45 65 A K S S+ 0 0 136 -24,-0.1 2,-0.1 -22,-0.1 33,-0.1 0.514 92.8 88.1 -83.4 -14.7 -30.5 1.0 42.0 46 66 A T S S- 0 0 50 1,-0.1 2,-0.2 36,-0.1 -23,-0.0 -0.401 86.9 -98.8 -78.6 169.8 -28.6 0.3 45.2 47 67 A Q - 0 0 177 -2,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.556 54.8 -97.4 -92.1 145.0 -29.1 2.1 48.5 48 68 A G S S+ 0 0 19 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 -0.190 78.1 107.5 -76.7-179.6 -26.8 4.9 49.6 49 69 A P - 0 0 46 0, 0.0 2,-0.3 0, 0.0 71,-0.2 0.476 69.3-173.7 -72.3 171.1 -24.8 6.5 50.8 50 70 A Y - 0 0 26 69,-2.7 72,-2.2 68,-0.2 73,-0.5 -0.773 31.5-120.3-128.0 163.3 -22.9 6.8 47.5 51 71 A G - 0 0 0 30,-0.3 32,-2.4 -2,-0.3 2,-0.4 -0.619 35.6-135.2 -90.8 159.3 -19.8 8.0 45.8 52 72 A V E -cd 83 124A 0 71,-2.2 73,-2.9 -2,-0.2 2,-0.6 -0.992 12.0-160.4-124.0 127.6 -20.4 10.6 43.0 53 73 A L E -cd 84 125A 2 30,-3.1 32,-3.0 -2,-0.4 2,-0.6 -0.960 8.6-152.9-107.3 116.4 -18.8 10.6 39.6 54 74 A V E -cd 85 126A 0 71,-3.0 73,-2.3 -2,-0.6 2,-0.4 -0.887 22.2-160.1 -90.0 117.4 -18.9 13.9 37.8 55 75 A Y E -cd 86 127A 3 30,-2.9 32,-2.4 -2,-0.6 2,-0.5 -0.925 15.8-162.9-110.8 134.8 -18.8 13.0 34.1 56 76 A Y E -cd 87 128A 0 71,-2.5 73,-1.0 -2,-0.4 80,-0.2 -0.957 21.2-134.6-117.8 112.7 -17.9 15.2 31.1 57 77 A H - 0 0 0 -2,-0.5 4,-0.1 30,-0.5 78,-0.1 -0.282 17.1-128.6 -59.7 155.9 -19.0 14.0 27.6 58 78 A G + 0 0 0 73,-0.1 72,-0.2 74,-0.1 -1,-0.1 -0.076 51.0 128.5 -93.7-171.1 -16.6 13.9 24.7 59 79 A G S >> S- 0 0 12 70,-0.1 4,-2.9 5,-0.1 3,-1.9 0.584 87.7 -79.1 125.9 26.1 -17.2 15.4 21.2 60 80 A G T 34 S- 0 0 10 1,-0.3 130,-0.2 2,-0.2 -2,-0.1 0.636 79.1 -72.7 64.2 25.5 -14.2 17.6 20.4 61 81 A F T 34 S+ 0 0 12 2,-0.3 31,-2.9 -4,-0.1 -1,-0.3 0.439 135.7 66.8 67.8 3.5 -15.5 20.5 22.6 62 82 A V T <4 S+ 0 0 0 -3,-1.9 2,-0.2 29,-0.2 -2,-0.2 0.633 95.9 40.9-119.6 -39.0 -18.0 21.1 19.8 63 83 A L S < S+ 0 0 13 -4,-2.9 -2,-0.3 -57,-0.0 29,-0.1 -0.622 78.9 52.1-117.5 175.6 -20.4 18.1 19.7 64 84 A G - 0 0 3 -2,-0.2 2,-0.3 -57,-0.1 -5,-0.1 -0.012 46.9-175.4 74.4 163.2 -22.2 15.8 22.2 65 85 A D > - 0 0 17 1,-0.1 4,-1.7 -55,-0.1 5,-0.1 -0.959 46.8 -69.0-177.0 178.0 -24.4 16.7 25.1 66 86 A I T 4 S+ 0 0 0 -2,-0.3 4,-0.5 1,-0.2 7,-0.2 0.899 125.9 49.2 -60.3 -39.3 -26.4 15.1 28.0 67 87 A E T >4 S+ 0 0 68 1,-0.2 3,-1.2 2,-0.2 -1,-0.2 0.939 110.9 46.1 -68.5 -47.7 -28.9 13.5 25.7 68 88 A S T 34 S+ 0 0 16 1,-0.3 4,-0.3 2,-0.1 -1,-0.2 0.798 117.9 46.1 -66.8 -24.3 -26.5 11.8 23.3 69 89 A Y T 3X S+ 0 0 16 -4,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.442 84.4 100.2 -97.4 6.2 -24.5 10.6 26.3 70 90 A D H <> S+ 0 0 4 -3,-1.2 4,-2.3 -4,-0.5 5,-0.2 0.895 79.7 49.5 -62.7 -43.2 -27.5 9.4 28.2 71 91 A P H > S+ 0 0 6 0, 0.0 4,-2.2 0, 0.0 -51,-0.3 0.932 113.1 47.2 -62.6 -44.3 -27.1 5.7 27.4 72 92 A L H > S+ 0 0 5 -4,-0.3 4,-2.6 2,-0.2 5,-0.2 0.927 111.3 50.2 -63.1 -43.7 -23.4 5.7 28.3 73 93 A C H X S+ 0 0 0 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.879 109.6 51.7 -65.6 -34.4 -24.0 7.5 31.6 74 94 A R H X S+ 0 0 45 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.946 111.0 48.1 -62.3 -45.0 -26.8 5.0 32.6 75 95 A A H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.917 112.6 47.7 -62.9 -41.7 -24.4 2.1 31.9 76 96 A I H X S+ 0 0 2 -4,-2.6 4,-3.1 2,-0.2 5,-0.3 0.902 109.6 54.0 -62.3 -43.6 -21.6 3.7 33.9 77 97 A T H X>S+ 0 0 0 -4,-2.3 4,-1.4 1,-0.2 5,-1.0 0.936 111.5 44.1 -57.2 -48.4 -24.0 4.4 36.8 78 98 A N H <5S+ 0 0 29 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.862 115.5 48.8 -67.1 -35.5 -25.1 0.8 36.9 79 99 A S H <5S+ 0 0 19 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.890 120.1 34.5 -68.6 -47.4 -21.5 -0.5 36.6 80 100 A a H <5S- 0 0 0 -4,-3.1 -2,-0.2 -5,-0.1 -1,-0.2 0.555 94.8-138.7 -81.2 -12.9 -20.0 1.8 39.4 81 101 A Q T <5 + 0 0 71 -4,-1.4 -30,-0.3 -5,-0.3 2,-0.3 0.915 65.4 118.9 46.6 53.1 -23.1 1.7 41.6 82 102 A a S - 0 0 28 -29,-0.1 4,-2.0 8,-0.1 -29,-0.2 -0.700 20.0 -91.9-102.9 151.0 -19.7 24.2 23.5 92 112 A A T 4 S+ 0 0 1 -31,-2.9 98,-0.2 -2,-0.3 4,-0.1 -0.521 94.8 33.8 -83.7 162.7 -17.5 25.8 20.8 93 113 A P T 4 S+ 0 0 45 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 -0.998 126.1 46.7 -79.3 -7.7 -17.4 27.5 18.5 94 114 A E T 4 S+ 0 0 107 1,-0.2 2,-0.5 -32,-0.1 -2,-0.3 0.886 126.9 30.3 -56.3 -42.5 -20.3 29.5 20.2 95 115 A N S < S- 0 0 56 -4,-2.0 5,-0.3 3,-0.0 -1,-0.2 -0.944 88.4-153.0-123.7 103.1 -18.3 29.5 23.4 96 116 A K > - 0 0 84 -2,-0.5 3,-2.5 -3,-0.2 95,-0.2 -0.321 38.9 -41.7 -69.1 158.6 -14.5 29.4 22.9 97 117 A F T 3 S+ 0 0 2 93,-3.2 -1,-0.2 1,-0.3 105,-0.1 -0.283 121.8 33.9 -38.9 140.5 -12.0 28.0 25.3 98 118 A P T >> S+ 0 0 24 0, 0.0 4,-2.9 0, 0.0 3,-0.5 -0.873 96.4 86.6 -97.2 30.9 -11.9 28.3 28.3 99 119 A A H <> S+ 0 0 6 -3,-2.5 4,-2.7 1,-0.3 -9,-0.3 0.914 91.8 49.9 -57.5 -44.5 -15.7 28.2 28.6 100 120 A A H 3> S+ 0 0 0 -5,-0.3 4,-2.0 1,-0.2 -1,-0.3 0.863 113.8 46.5 -60.2 -39.8 -15.8 24.4 28.7 101 121 A V H <> S+ 0 0 2 -3,-0.5 4,-2.6 2,-0.2 5,-0.3 0.893 110.6 51.5 -68.0 -45.5 -13.2 24.3 31.4 102 122 A V H X S+ 0 0 25 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.946 114.2 43.9 -57.2 -51.2 -14.8 27.0 33.5 103 123 A D H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.2 -1,-0.2 0.884 112.7 52.1 -59.5 -44.4 -18.1 25.2 33.4 104 124 A S H X S+ 0 0 0 -4,-2.0 4,-1.9 -5,-0.3 -2,-0.2 0.928 115.0 40.7 -61.9 -40.6 -16.5 21.8 34.1 105 125 A F H X S+ 0 0 16 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.904 113.5 53.3 -73.9 -42.6 -14.7 23.1 37.2 106 126 A D H X S+ 0 0 13 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.914 110.7 48.8 -59.5 -43.0 -17.6 25.2 38.4 107 127 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 -1,-0.2 0.917 111.7 48.4 -61.8 -44.6 -19.8 22.0 38.2 108 128 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.946 111.7 48.6 -61.3 -47.7 -17.3 19.9 40.1 109 129 A K H X S+ 0 0 62 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.916 112.3 48.9 -60.5 -44.5 -16.9 22.5 42.8 110 130 A W H X S+ 0 0 45 -4,-2.3 4,-0.8 -5,-0.2 -1,-0.2 0.927 112.4 48.1 -60.5 -45.4 -20.6 22.8 43.2 111 131 A V H >< S+ 0 0 0 -4,-2.7 3,-0.9 1,-0.2 4,-0.3 0.931 111.6 49.9 -60.8 -41.8 -21.0 19.1 43.4 112 132 A Y H >< S+ 0 0 71 -4,-2.6 3,-0.6 1,-0.3 -1,-0.2 0.882 114.4 45.2 -61.8 -40.2 -18.2 18.7 45.9 113 133 A N H 3< S+ 0 0 110 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.500 121.5 38.0 -83.9 -5.5 -19.8 21.5 48.0 114 134 A N T X< S+ 0 0 50 -3,-0.9 3,-2.2 -4,-0.8 4,-0.3 0.111 72.9 126.9-130.8 24.7 -23.3 20.0 47.7 115 135 A S G X > + 0 0 23 -3,-0.6 5,-2.6 -4,-0.3 3,-1.7 0.772 64.7 68.8 -63.5 -23.6 -22.6 16.3 47.9 116 136 A E G > 5S+ 0 0 120 1,-0.3 3,-1.6 3,-0.2 -1,-0.3 0.795 86.3 68.2 -68.0 -23.2 -25.1 15.8 50.7 117 137 A K G < 5S+ 0 0 134 -3,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.736 109.8 36.3 -60.2 -29.8 -27.9 16.5 48.2 118 138 A F G < 5S- 0 0 7 -3,-1.7 -1,-0.3 -4,-0.3 -68,-0.2 0.166 116.1-111.8-106.2 10.4 -27.0 13.2 46.6 119 139 A N T < 5 + 0 0 54 -3,-1.6 -69,-2.7 1,-0.2 2,-1.2 0.870 59.8 164.6 49.8 48.0 -26.1 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