==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 16-DEC-03 1RWG . COMPND 2 MOLECULE: CHONDROITIN AC LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARTHROBACTER AURESCENS; . AUTHOR V.V.LUNIN,Y.LI,H.MIYAZONO,M.KYOGASHIMA,A.W.BELL,M.CYGLER . 754 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27013.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 182 24.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 11 1.5 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 . 48 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 24.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.3 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 1 1 1 0 0 1 0 1 1 1 1 0 4 1 2 1 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 . 5 7 4 2 5 6 2 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 3 1 2 0 1 0 1 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 4 A P 0 0 85 0, 0.0 2,-0.1 0, 0.0 256,-0.0 0.000 360.0 360.0 360.0 130.2 -29.3 51.9 90.7 2 5 A G > - 0 0 32 4,-0.0 4,-2.5 0, 0.0 5,-0.2 -0.078 360.0 -50.7-114.0-153.3 -29.3 50.1 94.0 3 6 A A H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.871 130.1 48.7 -54.7 -43.0 -28.8 46.8 95.6 4 7 A A H > S+ 0 0 69 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.908 111.2 49.7 -69.4 -38.7 -31.2 44.9 93.3 5 8 A E H > S+ 0 0 96 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 112.9 47.6 -66.5 -42.2 -29.7 46.4 90.1 6 9 A F H X S+ 0 0 4 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.895 111.7 49.8 -67.5 -39.8 -26.2 45.4 91.3 7 10 A A H X S+ 0 0 32 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.908 110.4 50.6 -63.7 -40.0 -27.3 41.9 92.2 8 11 A A H X S+ 0 0 61 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.923 111.2 48.5 -66.3 -41.4 -28.9 41.5 88.8 9 12 A L H X S+ 0 0 5 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.914 112.1 48.6 -63.0 -44.5 -25.7 42.7 87.1 10 13 A R H X S+ 0 0 24 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.922 111.3 50.1 -61.2 -44.8 -23.5 40.3 89.1 11 14 A N H X S+ 0 0 86 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.884 109.9 50.7 -61.9 -39.2 -25.9 37.5 88.3 12 15 A R H X S+ 0 0 98 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.899 109.6 50.6 -62.8 -40.2 -25.8 38.3 84.6 13 16 A W H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.940 111.1 47.9 -65.6 -47.0 -22.0 38.3 84.7 14 17 A V H X S+ 0 0 6 -4,-2.7 4,-2.1 2,-0.2 6,-0.4 0.922 111.7 51.2 -57.8 -42.2 -21.9 34.9 86.4 15 18 A D H X S+ 0 0 46 -4,-2.6 4,-2.2 1,-0.2 6,-0.3 0.941 112.4 47.3 -58.7 -42.6 -24.5 33.6 83.8 16 19 A Q H < S+ 0 0 32 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.925 116.5 39.8 -67.6 -43.6 -22.3 34.9 81.0 17 20 A I H < S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.713 125.8 34.7 -87.9 -13.4 -18.9 33.5 82.2 18 21 A T H < S- 0 0 2 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.714 85.7-140.1-103.1 -25.6 -20.3 30.1 83.4 19 22 A G >< + 0 0 2 -4,-2.2 3,-2.1 -5,-0.4 4,-0.4 0.679 51.0 147.9 72.2 15.4 -23.1 29.3 81.0 20 23 A R T 3 + 0 0 78 -6,-0.4 3,-0.3 1,-0.3 -5,-0.1 0.716 66.9 48.2 -63.4 -26.2 -25.0 28.0 84.0 21 24 A N T 3 S+ 0 0 104 -6,-0.3 -1,-0.3 1,-0.2 -6,-0.1 0.435 114.4 46.5 -88.3 -4.3 -28.4 29.0 82.6 22 25 A V < + 0 0 55 -3,-2.1 2,-0.3 -7,-0.2 -2,-0.2 0.183 68.5 129.9-128.9 14.3 -27.8 27.4 79.2 23 26 A I - 0 0 46 -4,-0.4 2,-0.6 -3,-0.3 -4,-0.0 -0.589 51.0-139.6 -70.7 129.1 -26.4 23.9 79.7 24 27 A Q > - 0 0 104 -2,-0.3 3,-2.0 3,-0.1 6,-0.2 -0.871 22.0-119.1 -95.5 119.8 -28.4 21.4 77.6 25 28 A A T 3 S+ 0 0 107 -2,-0.6 5,-0.0 1,-0.3 -1,-0.0 -0.288 92.8 5.3 -59.4 130.4 -28.9 18.2 79.5 26 29 A G T 3 S+ 0 0 85 1,-0.3 -1,-0.3 2,-0.1 3,-0.0 0.497 89.0 143.3 72.3 7.9 -27.4 15.1 77.8 27 30 A D <> - 0 0 21 -3,-2.0 4,-2.0 1,-0.1 -1,-0.3 -0.646 46.3-146.5 -79.7 128.3 -25.8 17.2 75.1 28 31 A P H > S+ 0 0 76 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.802 95.4 52.4 -69.6 -29.4 -22.4 15.6 74.3 29 32 A D H > S+ 0 0 43 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.892 109.9 48.8 -74.8 -39.3 -20.6 18.9 73.6 30 33 A F H > S+ 0 0 3 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.898 109.9 52.4 -60.0 -40.0 -21.7 20.4 76.9 31 34 A A H X S+ 0 0 54 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.910 109.3 48.9 -65.2 -37.9 -20.5 17.3 78.6 32 35 A K H X S+ 0 0 142 -4,-1.9 4,-2.4 2,-0.2 -1,-0.2 0.911 108.9 53.2 -66.5 -36.0 -17.1 17.7 77.0 33 36 A A H X S+ 0 0 5 -4,-2.2 4,-2.5 1,-0.2 317,-0.2 0.916 110.7 47.2 -65.7 -39.3 -17.0 21.3 78.0 34 37 A I H X S+ 0 0 9 -4,-2.1 4,-3.4 1,-0.2 55,-0.2 0.895 109.4 53.7 -70.4 -36.2 -17.7 20.3 81.6 35 38 A T H X S+ 0 0 72 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.921 109.4 47.4 -61.0 -43.1 -15.1 17.6 81.5 36 39 A A H X S+ 0 0 39 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.923 113.0 49.7 -66.5 -40.8 -12.4 20.1 80.3 37 40 A L H X S+ 0 0 25 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.942 111.8 49.2 -59.1 -46.3 -13.6 22.5 83.1 38 41 A N H X S+ 0 0 36 -4,-3.4 4,-2.7 1,-0.2 -2,-0.2 0.903 109.5 50.7 -61.5 -42.6 -13.3 19.6 85.6 39 42 A N H X S+ 0 0 105 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.893 111.2 47.8 -67.1 -38.2 -9.8 18.5 84.4 40 43 A K H X S+ 0 0 89 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.932 113.2 47.5 -66.3 -42.9 -8.4 22.0 84.7 41 44 A A H X S+ 0 0 1 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.932 112.2 50.2 -62.9 -43.6 -9.9 22.5 88.2 42 45 A A H X S+ 0 0 58 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.897 108.1 53.7 -63.2 -38.6 -8.5 19.1 89.3 43 46 A D H X S+ 0 0 67 -4,-2.3 4,-0.7 1,-0.2 -1,-0.2 0.914 110.6 46.2 -61.4 -44.3 -5.1 20.1 88.0 44 47 A S H >< S+ 0 0 0 -4,-2.3 3,-1.2 2,-0.2 4,-0.3 0.928 109.8 52.1 -64.4 -41.8 -5.1 23.2 90.0 45 48 A L H >< S+ 0 0 48 -4,-2.5 3,-1.5 1,-0.3 -2,-0.2 0.895 104.8 58.3 -64.5 -34.4 -6.3 21.6 93.2 46 49 A A H 3< S+ 0 0 85 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.716 106.6 49.4 -61.9 -23.8 -3.5 19.0 92.8 47 50 A K T << S+ 0 0 60 -3,-1.2 12,-3.1 -4,-0.7 13,-0.3 0.342 80.1 131.2-101.1 4.1 -1.0 21.9 92.9 48 51 A L B < -A 58 0A 44 -3,-1.5 2,-0.8 -4,-0.3 10,-0.3 -0.355 61.4-126.3 -58.9 135.5 -2.3 23.6 96.0 49 52 A D + 0 0 24 8,-2.9 5,-0.1 1,-0.1 -1,-0.1 -0.763 30.9 177.7 -79.2 112.7 0.3 24.5 98.6 50 53 A A + 0 0 103 -2,-0.8 -1,-0.1 2,-0.1 3,-0.1 0.413 33.7 128.7 -99.8 -0.4 -1.0 22.9 101.8 51 54 A A > - 0 0 58 1,-0.1 3,-1.2 2,-0.1 2,-0.1 -0.216 67.4-109.4 -62.4 139.2 2.0 23.9 103.9 52 55 A A T 3 S+ 0 0 107 1,-0.3 -1,-0.1 2,-0.0 -2,-0.1 -0.486 106.7 13.8 -63.2 139.5 1.5 25.6 107.2 53 56 A G T 3 S- 0 0 83 1,-0.1 -1,-0.3 -2,-0.1 -2,-0.1 0.820 94.0-169.5 61.3 36.0 2.7 29.2 106.9 54 57 A R < - 0 0 36 -3,-1.2 -1,-0.1 1,-0.1 3,-0.1 -0.177 25.7-162.1 -62.6 148.9 2.8 28.9 103.1 55 58 A T S S+ 0 0 96 55,-0.0 8,-0.4 52,-0.0 2,-0.3 0.260 78.3 40.0-114.2 2.9 4.4 31.7 101.0 56 59 A S - 0 0 18 6,-0.1 3,-0.1 1,-0.1 6,-0.1 -0.929 67.4-142.5-138.5 164.2 2.7 30.6 97.7 57 60 A V S S+ 0 0 0 4,-0.4 -8,-2.9 -2,-0.3 2,-0.4 0.790 93.3 36.0 -92.9 -39.0 -0.8 29.4 96.9 58 61 A F B > S-AB 48 61A 0 3,-0.5 3,-1.8 -10,-0.3 -1,-0.3 -0.948 79.9-132.8-114.8 137.2 0.3 26.8 94.2 59 62 A T T 3 S+ 0 0 97 -12,-3.1 -11,-0.1 -2,-0.4 -1,-0.1 0.689 107.3 47.4 -65.6 -18.2 3.5 24.8 94.7 60 63 A D T 3 S+ 0 0 62 -13,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.289 101.5 74.3-105.3 12.6 4.5 25.6 91.1 61 64 A L B < -B 58 0A 14 -3,-1.8 -3,-0.5 -14,-0.2 2,-0.5 -0.956 64.9-153.1-131.9 113.9 3.8 29.3 91.1 62 65 A S > - 0 0 45 -2,-0.5 3,-1.5 1,-0.1 6,-0.3 -0.735 8.9-151.9 -83.5 128.1 5.9 31.9 92.8 63 66 A L T 3 S+ 0 0 16 -2,-0.5 -1,-0.1 -8,-0.4 6,-0.1 0.591 95.7 67.4 -68.7 -14.4 4.2 35.1 93.9 64 67 A A T 3 S+ 0 0 92 1,-0.1 2,-0.6 4,-0.0 -1,-0.3 0.480 89.5 71.9 -81.9 -4.6 7.6 36.9 93.5 65 68 A K S X> S- 0 0 122 -3,-1.5 4,-2.1 1,-0.1 3,-0.7 -0.956 79.4-146.7-112.5 116.8 7.3 36.3 89.7 66 69 A D H 3> S+ 0 0 35 -2,-0.6 4,-2.0 1,-0.3 -1,-0.1 0.829 95.8 51.2 -61.1 -33.1 4.6 38.6 88.3 67 70 A A H 3> S+ 0 0 60 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.878 112.0 47.7 -67.9 -32.8 3.4 36.2 85.5 68 71 A E H <> S+ 0 0 59 -3,-0.7 4,-2.0 -6,-0.3 -2,-0.2 0.798 106.9 57.4 -76.6 -28.2 3.1 33.4 88.0 69 72 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 -7,-0.2 -2,-0.2 0.932 107.9 47.6 -63.0 -47.0 1.2 35.8 90.3 70 73 A V H X S+ 0 0 15 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.954 111.0 50.1 -59.2 -47.8 -1.3 36.3 87.4 71 74 A T H X S+ 0 0 52 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.860 105.6 58.1 -61.5 -35.0 -1.6 32.5 86.8 72 75 A T H X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.962 111.6 41.8 -52.9 -51.5 -2.2 32.1 90.6 73 76 A Y H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.879 112.6 51.6 -72.4 -36.3 -5.2 34.4 90.2 74 77 A T H X S+ 0 0 59 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.855 110.0 51.3 -69.2 -32.2 -6.6 32.9 86.9 75 78 A R H X S+ 0 0 14 -4,-2.4 4,-2.4 -5,-0.3 -1,-0.2 0.902 110.0 49.5 -64.6 -39.1 -6.4 29.5 88.5 76 79 A L H X S+ 0 0 1 -4,-1.8 4,-2.3 -5,-0.2 -2,-0.2 0.905 112.3 46.7 -66.7 -41.1 -8.4 30.8 91.4 77 80 A S H X S+ 0 0 15 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.850 111.4 52.0 -68.3 -33.3 -11.0 32.4 89.1 78 81 A Q H X S+ 0 0 31 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.913 109.8 49.9 -65.3 -42.5 -11.2 29.2 87.0 79 82 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.913 111.0 48.8 -63.5 -41.0 -11.8 27.2 90.2 80 83 A A H X S+ 0 0 0 -4,-2.3 4,-1.3 2,-0.2 -1,-0.2 0.876 109.3 53.4 -64.9 -34.5 -14.5 29.7 91.2 81 84 A T H >< S+ 0 0 24 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.954 110.8 45.5 -61.6 -47.8 -16.0 29.3 87.7 82 85 A A H >< S+ 0 0 0 -4,-2.6 3,-1.7 1,-0.2 6,-0.2 0.926 109.5 55.3 -60.8 -45.3 -16.1 25.5 88.2 83 86 A W H 3< S+ 0 0 32 -4,-2.7 9,-2.6 1,-0.3 -1,-0.2 0.778 112.1 44.8 -59.6 -28.6 -17.6 25.8 91.7 84 87 A A T << S+ 0 0 9 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.357 92.8 95.0 -97.2 2.3 -20.4 28.0 90.2 85 88 A T S X S- 0 0 1 -3,-1.7 3,-2.2 -4,-0.3 6,-0.2 -0.867 78.4-122.3-104.0 112.4 -21.2 25.7 87.1 86 89 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.140 95.2 16.7 -52.5 138.4 -24.0 23.2 87.6 87 90 A T T 3 S+ 0 0 102 1,-0.3 2,-0.1 2,-0.1 -2,-0.0 0.235 89.6 132.9 75.3 -6.6 -22.8 19.5 87.0 88 91 A A S X S- 0 0 7 -3,-2.2 3,-1.8 -6,-0.2 -1,-0.3 -0.426 71.3-114.5 -64.8 151.7 -19.1 20.4 87.3 89 92 A A T 3 S+ 0 0 78 1,-0.3 -1,-0.1 -55,-0.2 -2,-0.1 0.855 116.9 38.8 -56.6 -36.5 -17.3 17.9 89.6 90 93 A V T > S+ 0 0 17 -5,-0.1 3,-2.6 2,-0.1 -1,-0.3 0.309 81.3 143.6-100.2 14.2 -16.7 20.8 92.2 91 94 A F T < S- 0 0 104 -3,-1.8 -7,-0.2 1,-0.3 -8,-0.2 -0.285 84.7 -10.2 -59.8 125.2 -20.0 22.5 91.8 92 95 A G T 3 S+ 0 0 46 -9,-2.6 2,-0.6 1,-0.2 -1,-0.3 0.594 91.1 159.2 63.8 14.9 -21.0 23.8 95.2 93 96 A D <> - 0 0 65 -3,-2.6 4,-2.8 1,-0.2 -1,-0.2 -0.572 30.6-157.6 -76.6 114.6 -18.2 21.9 96.9 94 97 A A H > S+ 0 0 76 -2,-0.6 4,-2.5 1,-0.2 -1,-0.2 0.831 89.7 52.3 -64.9 -31.3 -17.6 23.6 100.3 95 98 A A H > S+ 0 0 75 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.921 111.4 46.3 -71.7 -40.3 -14.0 22.3 100.6 96 99 A V H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.930 111.6 52.6 -64.0 -45.8 -13.0 23.5 97.2 97 100 A L H X S+ 0 0 14 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.919 107.8 51.5 -53.4 -48.0 -14.7 26.9 98.0 98 101 A A H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.912 109.4 50.0 -59.2 -39.9 -12.7 27.1 101.2 99 102 A A H X S+ 0 0 21 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.872 109.9 50.3 -66.6 -39.0 -9.5 26.5 99.3 100 103 A I H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.943 112.5 47.4 -60.8 -48.3 -10.4 29.2 96.7 101 104 A K H X S+ 0 0 56 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.900 111.8 49.2 -62.6 -41.7 -11.1 31.7 99.5 102 105 A A H X S+ 0 0 42 -4,-2.5 4,-3.0 -5,-0.2 5,-0.3 0.868 110.1 52.5 -65.2 -36.4 -7.9 30.9 101.3 103 106 A G H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.923 111.3 45.4 -62.5 -46.3 -6.0 31.3 98.0 104 107 A L H X S+ 0 0 1 -4,-2.7 4,-1.8 2,-0.2 -2,-0.2 0.915 114.8 49.6 -64.3 -42.2 -7.5 34.7 97.4 105 108 A A H X S+ 0 0 28 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.946 115.8 40.7 -61.7 -48.9 -6.8 35.7 101.1 106 109 A D H X S+ 0 0 53 -4,-3.0 4,-2.9 2,-0.2 5,-0.3 0.881 111.3 54.7 -72.3 -36.2 -3.2 34.6 101.1 107 110 A A H X>S+ 0 0 0 -4,-2.5 5,-2.3 -5,-0.3 4,-1.5 0.915 112.0 47.7 -62.4 -35.6 -2.4 35.9 97.6 108 111 A N H <5S+ 0 0 23 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.966 115.9 42.7 -66.2 -52.4 -3.7 39.3 99.0 109 112 A T H <5S+ 0 0 100 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.896 121.7 39.4 -56.1 -46.9 -1.6 39.1 102.3 110 113 A L H <5S- 0 0 77 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.696 137.6 -18.5 -79.1 -26.8 1.6 37.9 100.6 111 114 A C T <5S+ 0 0 6 -4,-1.5 2,-1.4 -5,-0.3 -3,-0.2 0.459 113.3 61.4-148.6 -67.8 1.7 39.9 97.4 112 115 A Y S S- 0 0 9 -2,-1.4 3,-1.5 42,-0.1 39,-0.1 -0.833 77.4 -89.9-144.4 173.3 -2.5 44.3 98.3 114 117 A D T 3 S+ 0 0 82 -2,-0.3 -2,-0.1 1,-0.3 38,-0.0 0.422 119.8 54.1 -75.3 3.1 -2.9 48.1 98.5 115 118 A R T 3 S+ 0 0 188 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.344 85.0 106.6-107.5 3.4 0.6 48.6 100.0 116 119 A K < - 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