==== 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 3AIL . 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) . 38923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 861 76.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 122 10.8 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 . 113 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 368 32.5 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 4 0 0 0 0 0 7 1 7 0 9 0 0 0 4 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 4 10 6 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 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 0 105 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.6 -23.9 18.6 7.1 2 22 A S > - 0 0 57 1,-0.1 4,-2.2 4,-0.0 5,-0.2 -0.221 360.0-109.7 -68.2 162.2 -23.9 21.6 9.5 3 23 A V H > S+ 0 0 30 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.939 123.7 52.0 -58.4 -43.4 -22.5 21.4 13.0 4 24 A E H > S+ 0 0 117 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.872 106.5 54.0 -59.3 -40.1 -26.1 21.6 14.3 5 25 A E H > S+ 0 0 117 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.937 110.7 45.1 -61.2 -39.4 -27.1 18.7 12.0 6 26 A I H X S+ 0 0 52 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.906 109.4 54.7 -73.3 -39.8 -24.3 16.5 13.3 7 27 A R H X S+ 0 0 25 -4,-2.6 4,-1.5 1,-0.2 -1,-0.2 0.914 111.9 45.7 -54.1 -46.8 -25.1 17.4 17.0 8 28 A S H X S+ 0 0 51 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.924 108.0 57.4 -64.6 -43.0 -28.7 16.3 16.2 9 29 A L H X S+ 0 0 66 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.888 103.4 52.9 -53.4 -45.3 -27.5 13.1 14.5 10 30 A F H X S+ 0 0 82 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.912 108.2 49.8 -62.9 -36.4 -25.6 12.0 17.5 11 31 A K H X S+ 0 0 97 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.935 112.9 48.5 -61.1 -44.1 -28.7 12.4 19.7 12 32 A Q H >< S+ 0 0 107 -4,-2.5 3,-0.9 1,-0.2 4,-0.3 0.902 108.1 52.6 -61.0 -49.4 -30.6 10.4 17.1 13 33 A F H >< S+ 0 0 113 -4,-3.1 3,-1.6 1,-0.2 -1,-0.2 0.897 104.7 59.0 -53.4 -37.5 -27.9 7.6 17.0 14 34 A S H >< S+ 0 0 9 -4,-1.9 3,-1.6 1,-0.3 -1,-0.2 0.754 93.3 64.8 -58.7 -36.7 -28.2 7.4 20.8 15 35 A S T << S+ 0 0 81 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.538 96.2 57.4 -74.5 -3.0 -31.9 6.5 20.6 16 36 A L T < S+ 0 0 138 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.455 90.8 88.4-100.1 -3.7 -31.1 3.3 18.9 17 37 A T S < S- 0 0 37 -3,-1.6 241,-0.0 -4,-0.2 -3,-0.0 -0.833 89.4-110.6 -99.2 129.7 -28.9 2.2 21.8 18 38 A P - 0 0 97 0, 0.0 2,-0.6 0, 0.0 -2,-0.1 -0.321 28.5-140.7 -68.6 130.3 -30.6 0.3 24.6 19 39 A R - 0 0 85 -4,-0.1 2,-0.2 55,-0.1 53,-0.1 -0.868 13.8-133.7 -93.7 118.5 -30.7 2.4 27.8 20 40 A E - 0 0 53 -2,-0.6 2,-0.2 51,-0.3 58,-0.0 -0.508 24.5-110.5 -67.8 144.8 -30.1 0.5 31.0 21 41 A E - 0 0 146 -2,-0.2 2,-0.2 2,-0.0 24,-0.1 -0.540 39.4-176.1 -67.0 139.9 -32.5 1.1 33.9 22 42 A V - 0 0 13 -2,-0.2 3,-0.1 22,-0.1 52,-0.0 -0.575 38.5 -95.7-121.0-168.2 -30.9 3.0 36.8 23 43 A G S S- 0 0 45 20,-2.4 2,-0.3 1,-0.3 22,-0.1 0.934 92.0 -24.7 -75.3 -45.1 -32.3 3.9 40.2 24 44 A K E -A 43 0A 106 19,-1.1 19,-3.0 2,-0.0 2,-0.4 -0.971 55.0-152.3-170.0 143.9 -33.5 7.5 39.6 25 45 A I E +A 42 0A 57 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.997 15.2 171.8-127.7 136.1 -32.7 10.3 37.2 26 46 A E E -A 41 0A 68 15,-2.0 15,-3.1 -2,-0.4 2,-0.4 -0.984 24.7-136.2-139.9 146.9 -33.1 14.1 37.6 27 47 A D E -A 40 0A 73 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.751 28.5-178.6 -95.0 134.1 -32.1 17.1 35.5 28 48 A I E -A 39 0A 26 11,-2.8 11,-2.2 -2,-0.4 2,-0.5 -0.868 25.3-132.3-124.2 164.7 -30.5 20.0 37.4 29 49 A T E -A 38 0A 95 -2,-0.3 9,-0.2 9,-0.2 7,-0.0 -0.996 19.5-154.2-117.4 123.9 -29.2 23.5 36.6 30 50 A I E -A 37 0A 0 7,-3.3 7,-3.2 -2,-0.5 2,-0.8 -0.855 21.0-123.1 -99.0 123.1 -25.9 24.4 38.1 31 51 A P E -A 36 0A 78 0, 0.0 5,-0.2 0, 0.0 2,-0.2 -0.617 37.8-168.5 -70.6 105.9 -25.3 28.1 38.7 32 52 A G - 0 0 20 3,-1.7 71,-0.1 -2,-0.8 70,-0.0 -0.578 32.9-116.1 -90.9 166.8 -22.1 28.8 36.7 33 53 A S S S+ 0 0 87 1,-0.2 3,-0.1 -2,-0.2 -1,-0.1 0.730 115.8 17.5 -71.7 -25.9 -19.8 31.9 36.7 34 54 A E S S+ 0 0 113 1,-0.3 2,-0.3 65,-0.1 -1,-0.2 0.409 135.4 1.8-120.8 -8.2 -20.6 32.6 33.0 35 55 A T S S- 0 0 48 -5,-0.1 -3,-1.7 68,-0.0 2,-0.5 -0.981 75.6 -92.5-169.3 163.6 -23.7 30.5 32.4 36 56 A N E -A 31 0A 114 -2,-0.3 2,-0.6 -5,-0.2 67,-0.0 -0.882 45.9-145.4 -96.0 123.7 -26.3 28.2 33.9 37 57 A I E -A 30 0A 1 -7,-3.2 -7,-3.3 -2,-0.5 2,-0.2 -0.866 0.8-142.0-105.4 115.0 -25.1 24.7 33.4 38 58 A K E +A 29 0A 79 -2,-0.6 50,-2.7 50,-0.4 2,-0.3 -0.513 26.6 175.1 -70.9 139.5 -27.5 21.8 32.7 39 59 A A E -AB 28 87A 0 -11,-2.2 -11,-2.8 48,-0.2 2,-0.5 -0.995 24.5-140.1-141.6 152.8 -26.5 18.5 34.3 40 60 A R E -AB 27 86A 22 46,-2.3 46,-2.6 -2,-0.3 2,-0.5 -0.943 14.5-152.6-116.1 126.6 -28.2 15.1 34.5 41 61 A V E -AB 26 85A 0 -15,-3.1 -15,-2.0 -2,-0.5 2,-0.5 -0.877 8.8-167.6-101.0 122.8 -27.9 13.1 37.8 42 62 A Y E -AB 25 84A 0 42,-2.8 42,-2.2 -2,-0.5 -17,-0.2 -0.963 2.7-162.4-109.5 121.1 -28.1 9.3 37.6 43 63 A Y E -A 24 0A 25 -19,-3.0 -20,-2.4 -2,-0.5 -19,-1.1 -0.846 18.7-126.2 -95.0 145.2 -28.6 7.4 40.8 44 64 A P - 0 0 4 0, 0.0 -22,-0.1 0, 0.0 34,-0.1 -0.174 24.2-107.7 -79.1 177.8 -27.8 3.7 40.9 45 65 A K S S+ 0 0 143 -24,-0.1 -23,-0.1 -22,-0.1 33,-0.0 0.619 91.8 86.6 -83.5 -9.1 -30.2 1.0 42.0 46 66 A T S S- 0 0 55 1,-0.1 2,-0.3 36,-0.1 -23,-0.0 -0.274 88.2 -87.0 -85.3 172.7 -28.3 0.3 45.3 47 67 A Q - 0 0 175 1,-0.1 -1,-0.1 -2,-0.0 -2,-0.1 -0.596 56.8-101.4 -75.7 141.8 -28.6 2.1 48.7 48 68 A G S S+ 0 0 24 -2,-0.3 2,-0.2 -4,-0.1 -1,-0.1 -0.063 77.5 102.9 -69.7 179.7 -26.7 5.2 49.5 49 69 A P - 0 0 48 0, 0.0 2,-0.2 0, 0.0 71,-0.2 0.568 68.6-174.7 -69.3 169.4 -24.6 6.8 50.7 50 70 A Y - 0 0 25 69,-2.9 72,-2.6 68,-0.2 73,-0.4 -0.717 32.3-120.4-127.9 163.7 -22.7 7.1 47.5 51 71 A G - 0 0 0 30,-0.3 32,-2.5 71,-0.2 2,-0.4 -0.723 35.6-136.4 -89.9 158.4 -19.6 8.3 45.7 52 72 A V E -cd 83 124A 0 71,-2.2 73,-2.9 -2,-0.3 2,-0.6 -0.984 12.3-161.8-124.5 126.2 -20.2 10.8 42.9 53 73 A L E -cd 84 125A 2 30,-3.2 32,-3.0 -2,-0.4 2,-0.6 -0.938 9.0-152.9-107.8 117.7 -18.6 10.8 39.5 54 74 A V E -cd 85 126A 0 71,-2.7 73,-2.2 -2,-0.6 2,-0.4 -0.858 22.3-159.7 -83.7 121.1 -18.7 14.1 37.6 55 75 A Y E -cd 86 127A 2 30,-2.7 32,-2.1 -2,-0.6 2,-0.6 -0.906 14.2-161.2-115.2 134.3 -18.6 13.0 33.9 56 76 A Y E -cd 87 128A 0 71,-2.6 73,-1.1 -2,-0.4 80,-0.2 -0.947 21.0-134.6-115.6 117.9 -17.6 15.2 30.9 57 77 A H - 0 0 0 -2,-0.6 4,-0.2 30,-0.5 78,-0.1 -0.276 16.9-128.2 -65.9 157.6 -18.8 13.9 27.5 58 78 A G + 0 0 0 73,-0.2 72,-0.2 1,-0.1 -1,-0.1 -0.068 50.4 128.7 -94.5-172.2 -16.5 13.8 24.5 59 79 A G S >> S- 0 0 20 70,-0.1 4,-2.9 5,-0.1 3,-1.6 0.518 87.7 -79.3 125.3 23.8 -17.0 15.2 21.0 60 80 A G T 34 S- 0 0 10 1,-0.3 130,-0.2 2,-0.2 129,-0.1 0.706 79.3 -73.1 73.3 19.2 -14.0 17.3 20.2 61 81 A F T 34 S+ 0 0 15 2,-0.3 31,-2.9 -4,-0.2 -1,-0.3 0.460 136.2 68.0 67.4 3.2 -15.3 20.3 22.3 62 82 A V T <4 S+ 0 0 0 -3,-1.6 -2,-0.2 29,-0.2 2,-0.2 0.683 97.3 36.4-119.0 -35.1 -17.8 20.8 19.5 63 83 A L S < S+ 0 0 20 -4,-2.9 -2,-0.3 -57,-0.0 -1,-0.1 -0.562 78.8 58.4-120.1 175.0 -20.2 17.8 19.5 64 84 A G - 0 0 7 -2,-0.2 2,-0.3 -4,-0.1 -5,-0.1 0.036 46.5-176.7 86.3 160.0 -21.9 15.5 22.1 65 85 A D > - 0 0 14 1,-0.1 4,-1.7 -55,-0.1 5,-0.1 -0.971 46.7 -72.0-175.9 178.3 -24.2 16.4 24.9 66 86 A I T 4 S+ 0 0 0 -2,-0.3 4,-0.2 1,-0.2 7,-0.2 0.884 126.0 48.6 -56.8 -41.6 -26.1 14.9 27.9 67 87 A E T >4 S+ 0 0 66 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.947 110.5 46.7 -68.0 -49.2 -28.6 13.2 25.6 68 88 A S T 34 S+ 0 0 20 1,-0.3 4,-0.2 2,-0.1 -1,-0.2 0.815 118.5 44.9 -64.9 -23.3 -26.2 11.5 23.2 69 89 A Y T 3X S+ 0 0 27 -4,-1.7 4,-2.7 1,-0.2 -1,-0.3 0.392 84.7 100.2 -96.7 2.2 -24.2 10.3 26.2 70 90 A D H <> S+ 0 0 3 -3,-1.5 4,-2.6 -4,-0.2 5,-0.2 0.917 79.7 50.3 -61.7 -43.1 -27.2 9.2 28.2 71 91 A P H > S+ 0 0 6 0, 0.0 4,-1.9 0, 0.0 -51,-0.3 0.910 113.1 46.7 -62.7 -39.2 -26.8 5.5 27.4 72 92 A L H > S+ 0 0 5 -4,-0.2 4,-2.9 2,-0.2 5,-0.2 0.947 110.9 51.4 -69.0 -40.4 -23.1 5.5 28.4 73 93 A C H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.913 109.2 51.8 -65.1 -34.8 -23.8 7.4 31.6 74 94 A R H X S+ 0 0 40 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.923 111.0 47.0 -60.6 -50.0 -26.5 4.9 32.6 75 95 A A H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.909 113.2 48.7 -61.1 -42.4 -24.1 2.0 32.0 76 96 A I H X S+ 0 0 2 -4,-2.9 4,-3.0 2,-0.2 5,-0.3 0.918 108.6 54.0 -62.3 -45.5 -21.3 3.7 34.0 77 97 A T H X>S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 5,-1.0 0.949 112.7 43.4 -55.1 -44.6 -23.7 4.5 36.9 78 98 A N H <5S+ 0 0 27 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.885 115.3 48.5 -73.3 -33.8 -24.7 0.8 37.1 79 99 A S H <5S+ 0 0 21 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.908 120.6 34.7 -69.3 -49.5 -21.2 -0.5 36.8 80 100 A a H <5S- 0 0 0 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.583 94.6-140.1 -76.9 -20.6 -19.7 1.9 39.4 81 101 A Q T <5 + 0 0 83 -4,-1.6 -30,-0.3 -5,-0.3 2,-0.3 0.907 64.5 116.9 50.9 50.5 -22.7 1.8 41.6 82 102 A a S - 0 0 28 -29,-0.1 4,-1.9 8,-0.1 -29,-0.2 -0.712 18.5 -94.2-105.4 155.8 -19.5 24.0 23.0 92 112 A A T 4 S+ 0 0 1 -31,-2.9 98,-0.2 -2,-0.3 4,-0.1 -0.551 92.0 35.8 -95.7 162.9 -17.4 25.5 20.3 93 113 A P T 4 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 -0.988 127.5 45.1 -75.9 -17.6 -17.2 27.1 17.8 94 114 A E T 4 S+ 0 0 101 1,-0.2 2,-0.5 -32,-0.1 -2,-0.3 0.856 127.3 30.4 -50.7 -46.0 -20.0 29.2 19.3 95 115 A N S < S- 0 0 59 -4,-1.9 5,-0.2 3,-0.0 -1,-0.2 -0.936 87.7-155.7-121.1 105.8 -18.2 29.2 22.7 96 116 A K > - 0 0 79 -2,-0.5 3,-2.2 -3,-0.2 95,-0.2 -0.353 37.6 -39.6 -74.3 165.1 -14.4 29.1 22.3 97 117 A F T 3 S+ 0 0 1 93,-3.1 -1,-0.2 1,-0.3 95,-0.1 -0.246 120.2 34.6 -44.0 138.2 -11.9 27.9 24.9 98 118 A P T 3> S+ 0 0 23 0, 0.0 4,-3.0 0, 0.0 -1,-0.3 -0.852 97.1 84.3-102.4 28.7 -11.9 28.3 27.8 99 119 A A H <> S+ 0 0 6 -3,-2.2 4,-3.0 1,-0.3 -9,-0.3 0.911 92.1 50.3 -57.9 -50.7 -15.7 28.1 28.1 100 120 A A H > S+ 0 0 1 -5,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.883 114.6 46.2 -51.3 -44.9 -15.8 24.3 28.3 101 121 A V H > S+ 0 0 3 -3,-0.2 4,-2.5 2,-0.2 5,-0.3 0.897 111.4 50.5 -66.5 -45.4 -13.2 24.4 31.0 102 122 A V H X S+ 0 0 24 -4,-3.0 4,-2.7 2,-0.2 5,-0.2 0.961 114.8 44.2 -57.0 -50.1 -14.9 27.2 33.0 103 123 A D H X S+ 0 0 1 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.926 113.6 50.2 -60.4 -45.7 -18.2 25.3 32.9 104 124 A S H X S+ 0 0 0 -4,-2.4 4,-1.9 -5,-0.3 -1,-0.2 0.873 114.8 42.6 -61.7 -43.0 -16.6 21.9 33.7 105 125 A F H X S+ 0 0 21 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.908 112.9 52.5 -70.6 -43.4 -14.7 23.4 36.7 106 126 A D H X S+ 0 0 14 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.910 110.7 49.5 -55.6 -42.5 -17.7 25.4 37.9 107 127 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -1,-0.2 0.927 111.3 47.4 -66.2 -44.4 -19.8 22.2 37.8 108 128 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 5,-0.2 0.913 111.0 50.8 -60.6 -48.5 -17.3 20.2 39.8 109 129 A K H X S+ 0 0 66 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.952 112.3 47.7 -55.9 -47.9 -16.8 22.9 42.4 110 130 A W H X S+ 0 0 46 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.929 112.5 48.1 -63.0 -42.8 -20.6 23.1 42.8 111 131 A V H >< S+ 0 0 0 -4,-2.5 3,-0.6 1,-0.2 4,-0.4 0.925 112.0 49.7 -64.4 -41.6 -21.0 19.3 43.0 112 132 A Y H 3< S+ 0 0 78 -4,-2.6 3,-0.5 1,-0.2 -1,-0.2 0.857 114.3 45.4 -61.0 -42.1 -18.1 19.1 45.6 113 133 A N H 3< S+ 0 0 113 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.576 123.5 35.3 -75.3 -16.4 -19.8 21.9 47.6 114 134 A N S X< S+ 0 0 49 -4,-1.0 3,-2.0 -3,-0.6 4,-0.4 0.116 72.7 124.2-126.5 24.2 -23.3 20.2 47.4 115 135 A S G > > + 0 0 21 -3,-0.5 5,-2.5 -4,-0.4 3,-1.9 0.786 66.2 70.3 -66.2 -26.5 -22.5 16.5 47.4 116 136 A E G > 5S+ 0 0 119 1,-0.3 3,-1.9 3,-0.2 -1,-0.3 0.810 85.3 68.9 -55.9 -33.1 -24.9 16.1 50.4 117 137 A K G < 5S+ 0 0 136 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.793 108.2 37.4 -53.8 -27.0 -27.8 16.7 48.0 118 138 A F G < 5S- 0 0 6 -3,-1.9 -1,-0.3 -4,-0.4 -68,-0.2 0.196 116.2-110.2-111.6 17.0 -26.9 13.4 46.4 119 139 A N T < 5 + 0 0 57 -3,-1.9 -69,-2.9 1,-0.2 2,-1.3 0.850 62.4 162.8 46.7 43.6 -26.0 11.5 49.7 120 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