==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 27-MAR-09 2WDW . COMPND 2 MOLECULE: PUTATIVE HEXOSE OXIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NONOMURAEA SP. ATCC 39727; . AUTHOR Y.-C.LIU,Y.-S.LI,S.-Y.LYU,Y.-H.CHEN,H.-C.CHAN,C.-J.HUANG, . 996 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 36766.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 2.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 162 16.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 1 0.1 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 . 92 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 202 20.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 0.8 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 2 3 5 0 0 0 0 2 6 0 2 2 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 3 4 6 4 2 2 4 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 . 0 0 2 2 0 0 0 1 1 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 26 A a 0 0 139 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.3 -48.4 10.3 -35.6 2 27 A L - 0 0 42 589,-0.1 589,-0.1 590,-0.0 588,-0.0 -0.854 360.0-103.5-123.7 151.3 -47.7 7.0 -34.0 3 28 A P - 0 0 71 0, 0.0 587,-0.3 0, 0.0 3,-0.1 -0.401 46.5-105.5 -66.1 148.5 -48.1 5.4 -30.5 4 29 A P - 0 0 72 0, 0.0 2,-0.3 0, 0.0 37,-0.1 -0.282 44.8 -81.0 -71.6 161.4 -45.0 5.0 -28.4 5 30 A A - 0 0 10 35,-0.2 35,-0.2 80,-0.1 3,-0.1 -0.512 59.6-118.0 -62.3 120.4 -43.2 1.7 -27.9 6 31 A G - 0 0 36 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.031 37.7 -74.0 -60.5 168.1 -45.2 0.0 -25.1 7 32 A P - 0 0 81 0, 0.0 2,-0.5 0, 0.0 32,-0.2 -0.439 46.9-168.0 -68.8 132.2 -43.8 -0.9 -21.6 8 33 A V E -A 38 0A 22 30,-1.8 30,-2.6 -2,-0.2 2,-0.9 -0.982 12.0-153.7-126.2 120.2 -41.5 -3.9 -21.6 9 34 A K E -A 37 0A 107 -2,-0.5 2,-1.0 28,-0.2 28,-0.2 -0.811 15.2-153.8 -92.6 101.6 -40.5 -5.6 -18.3 10 35 A V E -A 36 0A 0 26,-2.7 26,-2.1 -2,-0.9 -2,-0.0 -0.671 14.0-169.6 -87.9 99.4 -37.1 -7.2 -19.1 11 36 A T > - 0 0 39 -2,-1.0 3,-1.0 24,-0.2 6,-0.4 -0.309 39.0 -97.5 -80.1 166.1 -36.6 -10.2 -16.7 12 37 A P T 3 S+ 0 0 74 0, 0.0 6,-0.2 0, 0.0 -1,-0.1 0.803 123.9 52.7 -55.2 -33.8 -33.3 -12.1 -16.3 13 38 A D T 3 S+ 0 0 141 4,-0.1 -3,-0.0 3,-0.0 0, 0.0 0.708 87.7 97.6 -76.9 -22.0 -34.5 -14.9 -18.7 14 39 A D S X S- 0 0 31 -3,-1.0 3,-1.6 1,-0.1 4,-0.3 -0.512 81.5-128.5 -67.6 133.0 -35.3 -12.3 -21.4 15 40 A P T 3 S+ 0 0 38 0, 0.0 4,-0.4 0, 0.0 3,-0.2 0.704 104.5 60.1 -59.5 -24.5 -32.4 -12.0 -23.9 16 41 A R T >> S+ 0 0 13 1,-0.2 4,-1.9 2,-0.1 3,-0.6 0.729 83.3 86.5 -75.0 -23.3 -32.2 -8.2 -23.7 17 42 A Y H <> S+ 0 0 6 -3,-1.6 4,-2.4 -6,-0.4 3,-0.2 0.867 85.6 47.5 -44.8 -60.7 -31.5 -8.3 -19.9 18 43 A L H 3> S+ 0 0 78 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.802 111.1 53.3 -59.3 -33.5 -27.7 -8.7 -20.0 19 44 A N H <4 S+ 0 0 19 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.916 113.5 41.8 -64.9 -45.6 -27.4 -5.8 -22.5 20 45 A L H < S+ 0 0 4 -4,-1.9 3,-0.5 -3,-0.2 -2,-0.2 0.788 113.5 54.5 -72.0 -29.3 -29.4 -3.5 -20.3 21 46 A K H < S+ 0 0 13 -4,-2.4 10,-0.3 -5,-0.2 3,-0.3 0.838 115.9 36.7 -71.2 -35.0 -27.6 -4.6 -17.2 22 47 A L S < S+ 0 0 34 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.186 81.9 104.9-107.8 14.7 -24.1 -3.9 -18.6 23 48 A R + 0 0 67 -3,-0.5 2,-0.2 -4,-0.2 -1,-0.2 0.376 51.9 113.8 -82.9 7.5 -24.7 -0.7 -20.6 24 49 A G - 0 0 2 -3,-0.3 42,-0.2 5,-0.1 312,-0.1 -0.554 69.0-134.8 -73.8 142.3 -23.0 1.4 -17.9 25 50 A A S S+ 0 0 18 40,-3.1 311,-1.5 -2,-0.2 2,-0.5 0.923 89.2 68.3 -64.9 -47.8 -19.8 3.0 -19.0 26 51 A N > - 0 0 10 39,-0.5 3,-0.7 41,-0.4 312,-0.2 -0.650 65.3-162.3 -79.3 122.9 -17.8 2.1 -15.8 27 52 A S T 3 S+ 0 0 40 310,-0.6 311,-0.2 -2,-0.5 -1,-0.1 0.330 75.4 85.9 -88.5 6.5 -17.2 -1.6 -15.6 28 53 A R T 3 S+ 0 0 49 309,-0.3 2,-0.5 311,-0.1 -1,-0.2 0.805 82.0 66.2 -68.7 -32.8 -16.4 -1.3 -11.8 29 54 A F < + 0 0 19 -3,-0.7 2,-0.5 40,-0.1 45,-0.2 -0.827 56.4 178.2-108.9 126.6 -20.1 -1.6 -10.9 30 55 A N - 0 0 86 -2,-0.5 2,-0.3 43,-0.2 -8,-0.1 -0.917 5.2-176.5-129.2 105.9 -22.3 -4.7 -11.4 31 56 A G - 0 0 2 -2,-0.5 47,-0.1 -10,-0.3 42,-0.1 -0.682 16.4-152.0 -94.0 153.4 -25.9 -4.6 -10.2 32 57 A E - 0 0 112 42,-0.3 41,-0.0 45,-0.3 -2,-0.0 -0.681 23.3-172.7-124.6 76.7 -28.2 -7.6 -10.4 33 58 A P - 0 0 4 0, 0.0 45,-0.2 0, 0.0 46,-0.2 -0.269 32.5-127.6 -72.3 156.0 -31.8 -6.2 -10.7 34 59 A D S S- 0 0 57 44,-1.9 2,-0.3 1,-0.3 45,-0.2 0.905 90.3 -13.9 -64.3 -44.8 -35.0 -8.3 -10.6 35 60 A Y E - b 0 79A 9 43,-1.6 45,-1.5 -24,-0.2 2,-0.5 -0.982 59.1-129.7-153.1 161.0 -36.0 -6.6 -13.9 36 61 A I E -Ab 10 80A 0 -26,-2.1 -26,-2.7 -2,-0.3 2,-0.9 -0.972 24.4-146.9-115.9 117.7 -35.2 -3.7 -16.1 37 62 A H E -Ab 9 81A 15 43,-2.2 45,-1.9 -2,-0.5 2,-0.4 -0.743 8.0-158.8 -93.5 103.4 -38.2 -1.6 -17.1 38 63 A L E -Ab 8 82A 0 -30,-2.6 -30,-1.8 -2,-0.9 2,-0.3 -0.682 14.3-164.9 -80.5 129.4 -38.0 -0.1 -20.6 39 64 A V + 0 0 0 43,-1.6 46,-0.5 -2,-0.4 47,-0.3 -0.906 25.7 178.0-122.4 145.6 -40.3 2.9 -21.0 40 65 A G S S+ 0 0 14 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 0.537 70.4 28.4-118.9 -16.5 -41.6 4.8 -24.1 41 66 A S S > S- 0 0 32 -37,-0.1 4,-1.4 -36,-0.1 -1,-0.2 -0.930 80.0-106.3-142.4 166.6 -43.8 7.4 -22.7 42 67 A T H > S+ 0 0 19 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.858 119.6 53.8 -59.5 -39.6 -44.3 9.6 -19.5 43 68 A Q H > S+ 0 0 121 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.870 104.3 54.5 -64.6 -39.3 -47.3 7.4 -18.5 44 69 A Q H > S+ 0 0 14 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.845 107.6 51.0 -62.0 -36.5 -45.3 4.2 -18.8 45 70 A V H X S+ 0 0 0 -4,-1.4 4,-3.2 2,-0.2 -2,-0.2 0.921 108.5 51.3 -64.8 -46.6 -42.7 5.8 -16.4 46 71 A A H X S+ 0 0 6 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.882 111.3 47.6 -58.2 -41.8 -45.5 6.6 -13.9 47 72 A D H X S+ 0 0 83 -4,-2.2 4,-1.3 2,-0.2 -1,-0.2 0.845 113.4 49.0 -67.4 -36.1 -46.8 3.0 -14.1 48 73 A A H X S+ 0 0 1 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.929 111.4 48.3 -67.7 -47.4 -43.2 1.8 -13.6 49 74 A V H X S+ 0 0 0 -4,-3.2 4,-1.5 1,-0.2 -2,-0.2 0.902 109.7 52.5 -61.4 -44.5 -42.6 4.1 -10.6 50 75 A E H X S+ 0 0 56 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.861 106.7 53.7 -60.6 -38.0 -45.8 3.1 -8.9 51 76 A E H X S+ 0 0 51 -4,-1.3 4,-2.6 2,-0.2 6,-0.2 0.882 106.1 51.9 -65.3 -40.0 -45.0 -0.6 -9.2 52 77 A T H X>S+ 0 0 0 -4,-1.6 5,-1.3 2,-0.2 4,-0.8 0.822 112.7 46.3 -65.8 -32.8 -41.6 -0.1 -7.4 53 78 A V H <5S+ 0 0 20 -4,-1.5 -2,-0.2 3,-0.2 -1,-0.2 0.926 114.4 47.5 -69.0 -48.4 -43.4 1.7 -4.6 54 79 A R H <5S+ 0 0 167 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.832 119.7 37.7 -63.4 -38.4 -46.1 -1.0 -4.4 55 80 A T H <5S- 0 0 69 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.594 104.7-126.6 -91.1 -14.4 -43.5 -3.9 -4.4 56 81 A G T <5 + 0 0 64 -4,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.783 53.8 155.9 71.9 29.3 -41.0 -2.1 -2.3 57 82 A K < - 0 0 61 -5,-1.3 2,-0.3 -6,-0.2 -1,-0.2 -0.748 49.5-111.8 -92.9 133.2 -38.2 -2.6 -4.8 58 83 A R - 0 0 50 -2,-0.4 21,-2.0 18,-0.4 20,-1.8 -0.461 39.3-155.2 -64.0 122.0 -35.2 -0.3 -4.9 59 84 A V E +c 79 0A 4 430,-0.6 432,-0.5 -2,-0.3 2,-0.3 -0.804 17.6 179.3-108.5 142.6 -35.4 1.7 -8.1 60 85 A A E -c 80 0A 9 19,-2.2 21,-2.3 -2,-0.3 2,-0.2 -0.995 19.7-136.4-136.6 143.0 -32.6 3.5 -10.1 61 86 A V E -c 81 0A 39 -2,-0.3 2,-0.3 19,-0.2 21,-0.2 -0.660 18.9-172.6 -96.7 154.1 -32.9 5.4 -13.4 62 87 A R E +c 82 0A 6 19,-1.8 21,-2.6 -2,-0.2 22,-0.2 -0.952 24.1 146.4-151.1 126.7 -30.5 5.1 -16.3 63 88 A S S S+ 0 0 14 -2,-0.3 68,-0.1 19,-0.2 -1,-0.1 0.645 90.3 3.5-119.1 -61.7 -30.2 7.0 -19.6 64 89 A G S S- 0 0 17 66,-0.2 -39,-0.1 41,-0.0 -2,-0.1 0.690 82.1-139.0 -98.9 -25.8 -26.5 7.2 -20.6 65 90 A G + 0 0 11 -41,-0.1 -40,-3.1 1,-0.1 -39,-0.5 0.752 60.4 132.4 69.7 26.8 -25.1 5.0 -17.9 66 91 A H + 0 0 71 -42,-0.2 2,-0.2 -41,-0.2 -1,-0.1 0.076 24.4 139.9 -97.9 23.4 -22.1 7.4 -17.5 67 92 A C - 0 0 38 1,-0.1 -41,-0.4 2,-0.1 381,-0.1 -0.505 47.8-149.3 -68.6 129.5 -22.4 7.6 -13.7 68 93 A F S S+ 0 0 62 379,-0.3 273,-0.2 -2,-0.2 2,-0.2 0.577 79.3 50.7 -76.5 -10.7 -19.0 7.6 -12.0 69 94 A E S > S- 0 0 7 381,-0.1 2,-0.6 271,-0.1 3,-0.5 -0.650 99.7 -94.0-120.5 178.5 -20.4 5.8 -9.0 70 95 A D T 3 S+ 0 0 50 1,-0.2 -2,-0.0 -2,-0.2 -40,-0.0 -0.127 77.2 124.5 -86.6 39.2 -22.6 2.8 -8.2 71 96 A F T 3 S+ 0 0 22 -2,-0.6 -1,-0.2 1,-0.1 3,-0.1 0.765 90.1 18.7 -70.4 -25.6 -25.9 4.8 -8.2 72 97 A V S < S+ 0 0 15 -3,-0.5 2,-0.9 1,-0.2 -1,-0.1 0.735 124.0 55.7-110.2 -41.5 -27.4 2.5 -10.9 73 98 A D S S+ 0 0 11 -4,-0.3 -43,-0.2 -42,-0.1 -1,-0.2 -0.730 75.5 116.0-103.6 85.4 -25.2 -0.6 -10.7 74 99 A N S > S- 0 0 9 -2,-0.9 3,-1.7 -45,-0.2 -42,-0.3 -0.990 72.2-110.3-146.8 153.3 -25.2 -2.0 -7.2 75 100 A P T 3 S+ 0 0 96 0, 0.0 -43,-0.1 0, 0.0 -44,-0.1 0.759 114.5 57.1 -51.8 -31.5 -26.4 -5.2 -5.4 76 101 A D T 3 S+ 0 0 110 -43,-0.0 2,-0.5 -45,-0.0 -18,-0.4 0.698 84.1 92.6 -78.0 -21.9 -29.2 -3.3 -3.6 77 102 A V < + 0 0 2 -3,-1.7 -45,-0.3 1,-0.1 -18,-0.2 -0.641 43.7 169.6 -77.9 123.9 -30.9 -2.0 -6.8 78 103 A K + 0 0 76 -20,-1.8 -44,-1.9 -2,-0.5 -43,-1.6 0.543 62.0 46.1-113.0 -14.1 -33.6 -4.3 -8.0 79 104 A V E -bc 35 59A 1 -21,-2.0 -19,-2.2 -46,-0.2 2,-0.6 -0.986 58.6-167.4-135.6 126.1 -35.3 -2.3 -10.7 80 105 A I E -bc 36 60A 2 -45,-1.5 -43,-2.2 -2,-0.4 2,-0.9 -0.951 11.3-153.7-109.7 114.4 -33.7 -0.2 -13.5 81 106 A I E -bc 37 61A 0 -21,-2.3 -19,-1.8 -2,-0.6 2,-0.6 -0.808 20.2-154.7 -84.8 108.9 -36.0 2.2 -15.3 82 107 A D E -bc 38 62A 0 -45,-1.9 -43,-1.6 -2,-0.9 3,-0.4 -0.779 16.8-168.1 -97.0 120.0 -34.3 2.4 -18.7 83 108 A M > + 0 0 0 -21,-2.6 3,-0.9 -2,-0.6 20,-0.3 0.152 50.5 119.8 -93.4 19.3 -34.9 5.5 -20.7 84 109 A S T 3 S+ 0 0 25 1,-0.2 -1,-0.2 -22,-0.2 -44,-0.1 0.767 74.7 48.6 -55.9 -32.4 -33.3 4.2 -23.9 85 110 A L T 3 S+ 0 0 13 -46,-0.5 2,-1.7 -3,-0.4 -1,-0.2 0.719 88.5 85.7 -84.6 -23.7 -36.6 4.6 -26.0 86 111 A L < + 0 0 2 -3,-0.9 17,-1.4 -47,-0.3 18,-0.4 -0.588 51.3 138.9 -81.0 83.6 -37.3 8.2 -24.9 87 112 A T + 0 0 54 -2,-1.7 2,-0.4 16,-0.2 -1,-0.1 -0.301 16.1 148.2-127.7 47.6 -35.2 9.9 -27.6 88 113 A E + 0 0 72 16,-0.1 13,-2.4 2,-0.0 2,-0.4 -0.718 17.1 176.2 -90.0 130.0 -37.1 12.9 -28.8 89 114 A I E +D 100 0B 10 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.871 29.9 125.1-131.4 98.8 -35.3 16.0 -30.0 90 115 A A E -D 99 0B 6 9,-1.8 9,-3.2 -2,-0.4 2,-0.4 -0.981 61.7 -96.4-150.6 159.4 -37.7 18.6 -31.4 91 116 A Y E -D 98 0B 36 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.678 35.4-144.9 -78.4 128.3 -38.8 22.3 -31.1 92 117 A D E >> -D 97 0B 10 5,-3.2 5,-1.4 -2,-0.4 4,-1.2 -0.869 13.0-169.6 -98.5 112.6 -41.9 22.7 -28.9 93 118 A P T 45S+ 0 0 37 0, 0.0 -1,-0.2 0, 0.0 5,-0.0 0.838 87.5 57.8 -65.8 -34.1 -44.2 25.4 -30.0 94 119 A S T 45S+ 0 0 109 1,-0.2 -2,-0.0 3,-0.1 0, 0.0 0.894 119.3 28.2 -62.6 -43.6 -46.2 25.2 -26.8 95 120 A M T 45S- 0 0 39 2,-0.2 -1,-0.2 61,-0.0 3,-0.1 0.563 99.1-132.3 -92.7 -12.3 -43.2 25.9 -24.6 96 121 A N T <5S+ 0 0 17 -4,-1.2 2,-0.3 1,-0.3 -2,-0.1 0.904 76.7 92.5 51.3 46.5 -41.4 28.0 -27.2 97 122 A A E - 0 0 27 -13,-2.4 3,-1.8 -2,-0.5 30,-0.2 -0.477 21.9-116.0 -77.3 145.3 -35.8 13.7 -23.8 102 127 A P T 3 S+ 0 0 1 0, 0.0 30,-2.2 0, 0.0 29,-0.8 0.756 106.4 65.6 -52.2 -38.5 -33.5 12.0 -21.2 103 128 A G T 3 S+ 0 0 10 -17,-1.4 -16,-0.2 -20,-0.3 2,-0.1 0.525 79.6 107.9 -68.4 -7.3 -32.6 8.9 -23.3 104 129 A N < - 0 0 3 -3,-1.8 27,-2.8 -18,-0.4 2,-0.3 -0.409 67.4-130.0 -70.8 145.8 -30.8 11.0 -25.9 105 130 A T B > -H 130 0C 37 25,-0.2 4,-2.0 -2,-0.1 25,-0.3 -0.687 19.3-120.5 -91.1 150.9 -27.0 11.0 -26.1 106 131 A L H > S+ 0 0 3 23,-3.1 4,-2.8 -2,-0.3 5,-0.3 0.885 117.8 53.8 -57.2 -39.5 -25.0 14.2 -26.2 107 132 A S H > S+ 0 0 14 20,-2.0 4,-1.4 22,-0.2 -1,-0.2 0.862 110.3 46.9 -60.1 -39.1 -23.6 13.2 -29.6 108 133 A E H > S+ 0 0 69 19,-0.3 4,-1.8 -3,-0.2 -2,-0.2 0.786 113.2 49.4 -73.2 -30.0 -27.2 12.6 -30.8 109 134 A V H X S+ 0 0 1 -4,-2.0 4,-2.7 2,-0.2 5,-0.2 0.935 111.4 45.8 -76.2 -49.6 -28.3 16.0 -29.4 110 135 A Y H X S+ 0 0 15 -4,-2.8 4,-1.8 1,-0.2 5,-0.2 0.872 114.5 51.9 -57.4 -39.1 -25.5 18.1 -30.9 111 136 A E H X S+ 0 0 58 -4,-1.4 4,-1.8 -5,-0.3 5,-0.3 0.939 114.5 39.3 -63.3 -50.6 -26.1 16.3 -34.2 112 137 A K H X S+ 0 0 43 -4,-1.8 4,-1.5 1,-0.2 5,-0.3 0.851 117.2 49.7 -72.1 -37.4 -29.9 17.0 -34.3 113 138 A L H X S+ 0 0 0 -4,-2.7 6,-2.1 3,-0.2 4,-1.4 0.830 112.6 47.8 -69.1 -34.8 -29.6 20.5 -33.0 114 139 A Y H X S+ 0 0 1 -4,-1.8 4,-1.6 -5,-0.2 -2,-0.2 0.975 117.3 36.6 -72.6 -57.8 -26.9 21.5 -35.5 115 140 A L H < S+ 0 0 13 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.1 0.877 122.4 46.2 -63.0 -40.7 -28.4 20.2 -38.7 116 141 A G H < S- 0 0 6 -4,-1.5 -3,-0.2 -5,-0.3 -2,-0.2 0.941 136.3 -4.3 -71.3 -53.5 -31.9 21.1 -37.8 117 142 A W H < S- 0 0 24 -4,-1.4 -3,-0.2 -5,-0.3 -2,-0.2 0.239 88.7-111.3-132.9 11.8 -31.8 24.7 -36.4 118 143 A N S < S+ 0 0 16 -4,-1.6 2,-0.3 -5,-0.2 -4,-0.2 0.886 80.0 117.9 53.6 43.6 -28.0 25.7 -36.3 119 144 A V - 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