==== 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 1RWC . 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) . 26999.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 23.6 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 . 1 0.1 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 . 51 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 86 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 184 24.4 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 2 0 0 0 1 1 0 1 1 1 0 4 1 2 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 7 3 2 6 4 3 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 1 1 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 0 115 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.7 -30.2 52.7 91.8 2 5 A G > - 0 0 26 196,-0.0 4,-2.4 0, 0.0 3,-0.2 -0.451 360.0 -19.5-152.3-149.1 -29.2 50.4 94.6 3 6 A A H > S+ 0 0 63 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.778 123.3 52.3 -57.2 -34.1 -28.9 47.0 96.3 4 7 A A H > S+ 0 0 71 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.948 112.3 45.2 -66.6 -48.3 -31.5 45.3 94.2 5 8 A E H > S+ 0 0 88 -3,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.845 111.9 52.9 -62.9 -42.1 -29.9 46.4 90.9 6 9 A F H X S+ 0 0 4 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.877 109.6 47.6 -63.6 -41.4 -26.4 45.4 92.1 7 10 A A H X S+ 0 0 33 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.896 111.7 50.9 -64.0 -39.6 -27.6 41.9 93.1 8 11 A A H X S+ 0 0 61 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.906 111.7 47.9 -64.4 -41.6 -29.2 41.6 89.7 9 12 A L H X S+ 0 0 3 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.918 111.1 49.4 -64.2 -47.8 -26.0 42.7 88.0 10 13 A R H X S+ 0 0 25 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.876 111.5 50.6 -55.1 -38.5 -23.8 40.3 90.0 11 14 A N H X S+ 0 0 82 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.893 107.8 51.5 -73.9 -37.5 -26.2 37.4 89.2 12 15 A R H X S+ 0 0 91 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.884 110.6 49.0 -63.0 -37.0 -26.1 38.2 85.5 13 16 A W H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.932 111.3 48.9 -70.3 -43.0 -22.3 38.2 85.6 14 17 A V H X S+ 0 0 7 -4,-2.6 4,-2.1 1,-0.2 6,-0.4 0.942 112.4 49.9 -59.4 -43.8 -22.3 34.8 87.4 15 18 A D H X S+ 0 0 48 -4,-2.9 4,-2.2 1,-0.2 6,-0.3 0.901 112.9 48.0 -56.2 -46.6 -24.8 33.5 84.8 16 19 A Q H < S+ 0 0 32 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.942 115.4 40.0 -62.9 -51.9 -22.6 34.8 82.0 17 20 A I H < S+ 0 0 33 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.713 126.2 34.7 -76.5 -18.4 -19.2 33.4 83.2 18 21 A T H < S- 0 0 2 -4,-2.1 -2,-0.2 -5,-0.2 -3,-0.2 0.731 85.9-140.9-101.0 -27.6 -20.6 30.0 84.4 19 22 A G >X + 0 0 2 -4,-2.2 3,-2.3 -5,-0.4 4,-0.7 0.656 49.9 148.6 70.5 16.0 -23.4 29.3 81.9 20 23 A R T 34 + 0 0 82 -6,-0.4 3,-0.3 1,-0.3 -5,-0.1 0.762 67.5 51.7 -56.7 -26.9 -25.3 27.9 84.9 21 24 A N T 34 S+ 0 0 102 -6,-0.3 -1,-0.3 1,-0.2 -5,-0.1 0.541 112.9 43.1 -85.2 -8.5 -28.6 29.0 83.3 22 25 A V T <4 + 0 0 59 -3,-2.3 2,-0.3 -7,-0.2 -2,-0.2 0.288 68.1 128.1-130.9 8.4 -28.0 27.3 79.9 23 26 A I < - 0 0 47 -4,-0.7 2,-0.4 -3,-0.3 -4,-0.0 -0.579 54.5-136.4 -65.3 126.5 -26.6 23.8 80.5 24 27 A Q > - 0 0 97 -2,-0.3 3,-1.5 1,-0.1 2,-0.4 -0.712 21.5-102.9 -91.4 134.8 -28.8 21.5 78.5 25 28 A A T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.2 5,-0.0 -0.407 99.3 -8.0 -54.2 109.5 -30.0 18.2 80.0 26 29 A G T 3 S+ 0 0 82 -2,-0.4 -1,-0.2 1,-0.2 -3,-0.0 0.629 86.3 153.4 79.4 16.5 -27.9 15.3 78.6 27 30 A D <> - 0 0 20 -3,-1.5 4,-2.2 1,-0.1 -1,-0.2 -0.667 39.9-146.0 -82.8 127.1 -26.0 17.3 75.9 28 31 A P H > S+ 0 0 77 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.742 97.2 49.5 -67.7 -24.4 -22.7 15.7 75.1 29 32 A D H > S+ 0 0 46 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.858 110.7 48.3 -81.8 -39.4 -20.9 19.0 74.4 30 33 A F H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 111.8 54.1 -60.0 -37.7 -22.1 20.5 77.7 31 34 A A H X S+ 0 0 53 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.903 108.8 45.9 -62.4 -41.5 -20.9 17.2 79.2 32 35 A K H X S+ 0 0 148 -4,-1.6 4,-1.9 2,-0.2 -1,-0.2 0.818 110.5 54.3 -77.1 -24.4 -17.4 17.6 77.8 33 36 A A H X S+ 0 0 5 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.913 108.5 48.5 -68.9 -45.9 -17.3 21.2 78.9 34 37 A I H X S+ 0 0 10 -4,-2.2 4,-3.3 2,-0.2 55,-0.2 0.913 109.9 53.1 -59.0 -43.4 -18.1 20.2 82.5 35 38 A T H X S+ 0 0 71 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.913 108.0 49.0 -60.7 -43.1 -15.4 17.5 82.3 36 39 A A H X S+ 0 0 39 -4,-1.9 4,-2.3 2,-0.2 5,-0.2 0.925 111.8 50.4 -60.6 -40.2 -12.8 20.1 81.2 37 40 A L H X S+ 0 0 25 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.960 111.3 49.5 -61.2 -47.2 -14.0 22.3 84.1 38 41 A N H X S+ 0 0 32 -4,-3.3 4,-3.2 1,-0.2 -2,-0.2 0.915 110.5 48.8 -57.3 -45.4 -13.7 19.4 86.5 39 42 A N H X S+ 0 0 101 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.909 111.8 47.3 -68.0 -40.9 -10.1 18.5 85.4 40 43 A K H X S+ 0 0 82 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.923 114.3 48.3 -64.0 -42.7 -8.8 22.0 85.6 41 44 A A H X S+ 0 0 2 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.960 112.3 47.4 -63.7 -51.4 -10.3 22.4 89.1 42 45 A A H X S+ 0 0 57 -4,-3.2 4,-2.8 1,-0.2 -1,-0.2 0.880 109.4 55.0 -56.8 -40.4 -9.0 19.0 90.3 43 46 A D H X S+ 0 0 68 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.935 110.6 45.1 -56.6 -51.4 -5.5 19.9 88.9 44 47 A S H >< S+ 0 0 0 -4,-2.1 3,-1.0 2,-0.2 4,-0.2 0.935 111.4 52.0 -58.8 -50.8 -5.5 23.1 90.9 45 48 A L H >< S+ 0 0 50 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.919 105.3 56.7 -54.2 -44.9 -6.7 21.4 94.0 46 49 A A H 3< S+ 0 0 84 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.796 107.5 49.8 -52.5 -33.0 -3.9 18.8 93.7 47 50 A K T << S+ 0 0 57 -4,-1.1 12,-2.7 -3,-1.0 13,-0.4 0.293 80.0 131.0 -97.3 12.0 -1.4 21.7 93.8 48 51 A L B < -A 58 0A 42 -3,-1.8 2,-0.9 10,-0.2 10,-0.3 -0.383 63.5-122.6 -64.3 140.4 -2.7 23.5 96.9 49 52 A D - 0 0 27 8,-3.1 5,-0.1 1,-0.2 -1,-0.1 -0.762 31.9-179.6 -82.2 104.9 -0.1 24.4 99.5 50 53 A A + 0 0 104 -2,-0.9 -1,-0.2 2,-0.0 -2,-0.0 0.599 37.1 122.3 -86.7 -9.5 -1.6 22.5 102.5 51 54 A A > - 0 0 59 1,-0.1 3,-1.0 2,-0.1 2,-0.1 -0.063 69.4-106.9 -61.1 145.6 1.2 23.6 105.0 52 55 A A T 3 S+ 0 0 104 1,-0.3 -1,-0.1 2,-0.0 -2,-0.0 -0.452 106.0 8.0 -66.6 143.2 0.7 25.6 108.2 53 56 A G T 3 S- 0 0 88 -2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.866 94.6-170.9 42.9 46.8 1.9 29.2 107.8 54 57 A R < - 0 0 35 -3,-1.0 -1,-0.1 -5,-0.1 3,-0.1 -0.234 26.4-154.3 -62.8 153.5 2.4 28.7 104.1 55 58 A T S S+ 0 0 96 55,-0.0 8,-0.3 2,-0.0 2,-0.3 0.317 79.9 38.3-112.2 1.8 4.1 31.4 102.0 56 59 A S - 0 0 18 6,-0.1 3,-0.1 1,-0.1 6,-0.1 -0.918 66.7-141.7-138.4 165.8 2.3 30.4 98.7 57 60 A V S S+ 0 0 0 4,-0.4 -8,-3.1 1,-0.3 2,-0.4 0.797 93.5 36.0 -96.6 -39.1 -1.2 29.2 97.8 58 61 A F B > S-AB 48 61A 0 3,-0.5 3,-2.6 -10,-0.3 -1,-0.3 -0.964 78.2-134.2-119.4 134.0 -0.1 26.7 95.2 59 62 A T T 3 S+ 0 0 95 -12,-2.7 -11,-0.1 -2,-0.4 -1,-0.1 0.660 106.8 46.1 -62.5 -18.0 3.1 24.6 95.5 60 63 A D T 3 S+ 0 0 65 -13,-0.4 2,-0.5 1,-0.1 -1,-0.3 0.301 102.4 76.9-104.5 10.6 4.1 25.3 91.9 61 64 A L B < -B 58 0A 13 -3,-2.6 -3,-0.5 -14,-0.2 2,-0.5 -0.942 63.9-153.7-132.1 114.9 3.4 29.0 92.0 62 65 A S > - 0 0 46 -2,-0.5 3,-1.6 1,-0.1 6,-0.3 -0.732 8.4-153.0 -84.3 124.2 5.6 31.6 93.6 63 66 A L T 3 S+ 0 0 19 -2,-0.5 -1,-0.1 -8,-0.3 6,-0.1 0.514 94.9 67.5 -73.4 -5.3 3.9 34.8 94.7 64 67 A A T 3 S+ 0 0 93 1,-0.1 2,-0.6 4,-0.0 -1,-0.3 0.433 89.5 70.1 -96.2 -1.8 7.2 36.6 94.2 65 68 A K S X> S- 0 0 123 -3,-1.6 4,-2.0 1,-0.1 3,-0.8 -0.972 79.0-147.1-113.3 116.5 6.9 36.1 90.5 66 69 A D H 3> S+ 0 0 36 -2,-0.6 4,-2.7 1,-0.3 5,-0.1 0.826 95.2 53.9 -56.3 -38.0 4.1 38.3 89.1 67 70 A A H 3> S+ 0 0 60 1,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.875 112.7 45.1 -65.4 -31.2 3.0 35.9 86.3 68 71 A E H <> S+ 0 0 57 -3,-0.8 4,-2.0 -6,-0.3 -1,-0.2 0.748 108.5 56.3 -85.5 -24.9 2.6 33.2 88.9 69 72 A M H X S+ 0 0 0 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.917 109.2 47.2 -60.5 -48.6 0.9 35.6 91.1 70 73 A V H X S+ 0 0 16 -4,-2.7 4,-2.4 1,-0.2 3,-0.4 0.972 111.5 50.5 -56.7 -53.5 -1.6 36.1 88.2 71 74 A T H X S+ 0 0 50 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.877 105.1 57.4 -53.2 -37.4 -1.9 32.4 87.7 72 75 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.930 110.2 44.2 -56.8 -48.2 -2.6 31.9 91.5 73 76 A Y H X S+ 0 0 2 -4,-1.8 4,-2.2 -3,-0.4 -2,-0.2 0.861 112.3 51.1 -69.9 -34.2 -5.6 34.3 91.1 74 77 A T H X S+ 0 0 57 -4,-2.4 4,-2.6 2,-0.2 -1,-0.2 0.891 108.0 52.4 -73.6 -32.8 -6.9 32.7 87.9 75 78 A R H X S+ 0 0 15 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.913 110.8 49.4 -63.1 -40.6 -6.8 29.3 89.4 76 79 A L H X S+ 0 0 0 -4,-1.6 4,-2.1 -5,-0.2 -2,-0.2 0.881 111.8 46.1 -66.1 -40.0 -8.8 30.6 92.3 77 80 A S H X S+ 0 0 13 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.878 112.0 52.5 -73.0 -32.2 -11.4 32.3 90.1 78 81 A Q H X S+ 0 0 32 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.902 109.3 49.3 -61.5 -43.0 -11.6 29.1 88.0 79 82 A L H X S+ 0 0 2 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.888 111.8 48.9 -65.5 -37.8 -12.2 27.1 91.2 80 83 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.849 108.8 53.7 -71.2 -32.4 -14.9 29.6 92.2 81 84 A T H < S+ 0 0 24 -4,-2.2 3,-0.3 2,-0.2 -2,-0.2 0.961 111.6 44.6 -59.5 -47.3 -16.4 29.2 88.7 82 85 A A H >< S+ 0 0 0 -4,-2.5 3,-2.2 1,-0.2 6,-0.3 0.934 109.4 55.3 -63.9 -48.4 -16.6 25.5 89.1 83 86 A W H 3< S+ 0 0 37 -4,-2.8 9,-2.6 1,-0.3 -1,-0.2 0.810 112.2 45.8 -50.2 -35.9 -18.0 25.8 92.6 84 87 A A T 3< S+ 0 0 9 -4,-1.5 -1,-0.3 -3,-0.3 -2,-0.2 0.347 93.3 95.8 -86.7 -3.8 -20.8 27.9 91.1 85 88 A T S X S- 0 0 1 -3,-2.2 3,-2.3 -4,-0.2 6,-0.2 -0.848 76.9-123.1-101.4 111.2 -21.5 25.6 88.0 86 89 A P T 3 S+ 0 0 38 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.178 96.4 16.3 -47.3 138.4 -24.4 23.1 88.4 87 90 A T T 3 S+ 0 0 101 1,-0.3 2,-0.1 2,-0.1 -2,-0.0 0.293 90.7 134.1 72.6 -3.1 -23.3 19.5 87.8 88 91 A A X - 0 0 8 -3,-2.3 3,-1.5 -6,-0.3 -1,-0.3 -0.487 69.5-117.0 -67.1 148.2 -19.6 20.4 88.3 89 92 A A T 3 S+ 0 0 78 1,-0.2 -1,-0.1 -55,-0.2 -2,-0.1 0.853 115.8 39.6 -50.2 -39.8 -17.8 17.9 90.6 90 93 A V T > S+ 0 0 16 -5,-0.1 3,-2.4 2,-0.1 -1,-0.2 0.275 81.3 144.2-100.0 13.3 -17.1 20.7 93.1 91 94 A F T < S- 0 0 107 -3,-1.5 -7,-0.2 1,-0.3 -8,-0.2 -0.309 82.9 -9.3 -59.3 125.5 -20.4 22.5 92.8 92 95 A G T 3 S+ 0 0 47 -9,-2.6 2,-0.7 1,-0.2 -1,-0.3 0.609 90.5 163.4 60.4 18.3 -21.5 23.8 96.2 93 96 A D <> - 0 0 64 -3,-2.4 4,-3.2 1,-0.2 5,-0.2 -0.545 29.5-157.8 -73.3 109.0 -18.6 21.9 97.9 94 97 A A H > S+ 0 0 79 -2,-0.7 4,-2.5 1,-0.2 -1,-0.2 0.860 92.6 49.4 -54.2 -39.5 -18.0 23.5 101.3 95 98 A A H > S+ 0 0 71 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.908 112.2 46.9 -69.6 -42.9 -14.4 22.2 101.5 96 99 A V H > S+ 0 0 13 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.957 111.4 52.0 -60.8 -48.0 -13.6 23.5 98.1 97 100 A L H X S+ 0 0 16 -4,-3.2 4,-2.5 1,-0.2 -2,-0.2 0.939 108.2 52.6 -54.6 -45.3 -15.2 26.9 99.0 98 101 A A H X S+ 0 0 58 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.905 108.8 48.9 -55.0 -44.9 -13.0 26.9 102.2 99 102 A A H X S+ 0 0 24 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.873 111.2 49.7 -68.8 -34.8 -9.9 26.4 100.2 100 103 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.913 111.0 49.3 -62.6 -45.4 -10.8 29.2 97.7 101 104 A K H X S+ 0 0 59 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.876 113.3 46.4 -67.7 -38.4 -11.5 31.6 100.6 102 105 A A H X S+ 0 0 40 -4,-2.2 4,-3.0 -5,-0.2 5,-0.3 0.885 110.4 53.8 -68.1 -42.8 -8.2 30.8 102.3 103 106 A G H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.917 111.1 44.6 -55.7 -47.2 -6.3 31.1 99.0 104 107 A L H X S+ 0 0 1 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.890 114.4 51.1 -66.8 -38.7 -7.7 34.6 98.3 105 108 A A H X S+ 0 0 28 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.918 115.0 41.0 -62.7 -47.6 -7.0 35.6 102.0 106 109 A D H X S+ 0 0 49 -4,-3.0 4,-3.4 2,-0.2 5,-0.4 0.904 111.9 53.9 -73.6 -39.8 -3.4 34.4 102.0 107 110 A A H X>S+ 0 0 0 -4,-2.7 5,-2.6 -5,-0.3 4,-1.5 0.928 112.9 47.0 -57.3 -39.7 -2.7 35.8 98.5 108 111 A N H <5S+ 0 0 23 -4,-2.1 -2,-0.2 3,-0.2 -1,-0.2 0.974 117.5 40.9 -63.0 -54.2 -4.0 39.1 99.9 109 112 A T H <5S+ 0 0 86 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.871 121.4 39.6 -60.9 -47.7 -1.9 38.9 103.1 110 113 A L H <5S- 0 0 79 -4,-3.4 -1,-0.2 -5,-0.1 -2,-0.2 0.736 137.7 -18.2 -76.7 -26.2 1.2 37.6 101.6 111 114 A C T <5S+ 0 0 9 -4,-1.5 2,-1.4 -5,-0.4 -3,-0.2 0.560 111.0 64.6-148.1 -66.3 1.3 39.6 98.5 112 115 A Y S S- 0 0 11 -2,-1.4 3,-1.9 42,-0.1 39,-0.1 -0.886 75.6 -93.0-142.4 173.4 -2.6 44.2 99.0 114 117 A D T 3 S+ 0 0 79 -2,-0.3 -2,-0.1 1,-0.3 38,-0.0 0.401 120.2 54.5 -70.9 4.6 -3.1 47.9 99.4 115 118 A R T 3 S+ 0 0 193 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.373 86.9 105.2-113.6 1.4 0.4 48.3 100.9 116 119 A K < - 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