==== 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 1RWA . 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) . 27501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 525 69.6 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 . 180 23.9 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 . 5 0.7 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-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 . 44 5.8 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 . 186 24.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 . 4 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 1 2 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 0 105 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.9 -28.4 51.7 93.6 2 5 A G >> - 0 0 29 196,-0.0 4,-2.3 0, 0.0 3,-0.5 -0.325 360.0 -37.6-134.6-149.7 -27.8 49.6 96.7 3 6 A A H 3> S+ 0 0 63 1,-0.3 4,-2.3 2,-0.2 5,-0.1 0.814 126.0 50.4 -55.9 -37.7 -27.3 46.2 98.3 4 7 A A H 3> S+ 0 0 70 2,-0.2 4,-2.4 1,-0.2 -1,-0.3 0.892 110.8 49.0 -69.4 -41.3 -29.9 44.3 96.3 5 8 A E H <> S+ 0 0 93 -3,-0.5 4,-2.5 2,-0.2 -2,-0.2 0.921 112.0 49.1 -66.9 -40.9 -28.4 45.6 93.0 6 9 A F H X S+ 0 0 4 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.903 110.4 50.7 -66.5 -39.6 -24.9 44.6 94.0 7 10 A A H X S+ 0 0 32 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.918 110.4 49.7 -63.8 -42.2 -26.1 41.2 95.0 8 11 A A H X S+ 0 0 58 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.891 111.1 49.3 -59.8 -46.0 -27.8 40.7 91.7 9 12 A L H X S+ 0 0 5 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.919 110.8 49.2 -63.0 -41.8 -24.6 41.8 89.8 10 13 A R H X S+ 0 0 24 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.930 112.5 48.7 -62.2 -47.3 -22.5 39.4 91.8 11 14 A N H X S+ 0 0 84 -4,-2.5 4,-2.5 2,-0.2 -1,-0.2 0.888 111.0 50.4 -58.8 -40.6 -25.0 36.6 91.1 12 15 A R H X S+ 0 0 90 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.909 110.8 49.5 -62.8 -39.8 -25.0 37.6 87.3 13 16 A W H X S+ 0 0 1 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.956 111.2 47.8 -69.0 -42.4 -21.2 37.5 87.3 14 17 A V H X S+ 0 0 8 -4,-2.8 4,-2.3 1,-0.2 6,-0.4 0.930 111.0 53.0 -61.2 -38.2 -21.2 34.0 89.0 15 18 A D H X S+ 0 0 46 -4,-2.5 4,-2.1 1,-0.2 6,-0.3 0.923 112.1 45.9 -59.0 -47.2 -23.8 32.9 86.4 16 19 A Q H < S+ 0 0 32 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 116.5 41.5 -64.4 -45.8 -21.6 34.0 83.6 17 20 A I H < S+ 0 0 32 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.760 125.7 32.9 -84.1 -21.6 -18.4 32.6 84.8 18 21 A T H < S- 0 0 1 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.703 87.1-140.1 -96.8 -29.8 -19.8 29.2 86.0 19 22 A G >X + 0 0 2 -4,-2.1 3,-2.0 -5,-0.4 4,-0.8 0.666 51.1 147.7 72.1 19.2 -22.6 28.6 83.5 20 23 A R T 34 + 0 0 84 -6,-0.4 3,-0.1 1,-0.3 -5,-0.1 0.715 67.2 50.0 -63.6 -23.5 -24.6 27.3 86.4 21 24 A N T 34 S+ 0 0 103 -6,-0.3 -1,-0.3 1,-0.1 -5,-0.1 0.571 115.1 42.4 -83.9 -15.4 -27.8 28.6 84.9 22 25 A V T <4 S+ 0 0 57 -3,-2.0 2,-0.3 -7,-0.2 -2,-0.2 0.271 71.6 129.4-127.2 5.1 -27.3 27.0 81.4 23 26 A I < - 0 0 46 -4,-0.8 2,-0.5 -3,-0.1 -4,-0.0 -0.541 49.7-141.6 -65.8 126.6 -25.9 23.4 82.0 24 27 A Q > - 0 0 104 -2,-0.3 3,-1.8 3,-0.1 6,-0.1 -0.798 17.6-116.4-100.6 125.4 -27.9 20.9 79.9 25 28 A A T 3 S+ 0 0 110 -2,-0.5 -1,-0.0 1,-0.3 5,-0.0 -0.375 94.5 1.0 -62.7 127.3 -28.6 17.5 81.5 26 29 A G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -2,-0.1 3,-0.0 0.412 86.6 144.4 78.5 1.8 -27.0 14.7 79.6 27 30 A D <> - 0 0 22 -3,-1.8 4,-2.1 1,-0.2 -1,-0.2 -0.600 46.6-144.0 -78.0 130.5 -25.4 16.9 76.9 28 31 A P H > S+ 0 0 79 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.777 96.4 51.6 -70.0 -30.8 -22.1 15.2 76.2 29 32 A D H > S+ 0 0 36 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.884 109.5 49.0 -71.8 -41.3 -20.2 18.4 75.7 30 33 A F H > S+ 0 0 3 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.909 110.0 53.9 -60.0 -39.5 -21.4 19.8 79.0 31 34 A A H X S+ 0 0 54 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.935 108.5 47.5 -60.3 -42.5 -20.3 16.5 80.5 32 35 A K H X S+ 0 0 140 -4,-1.8 4,-2.2 1,-0.2 -1,-0.2 0.885 109.9 54.0 -68.3 -32.6 -16.8 16.8 79.1 33 36 A A H X S+ 0 0 6 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.907 107.9 49.2 -66.0 -43.3 -16.6 20.5 80.3 34 37 A I H X S+ 0 0 15 -4,-2.5 4,-2.8 1,-0.2 55,-0.2 0.921 111.1 51.8 -62.8 -43.2 -17.5 19.4 83.9 35 38 A T H X S+ 0 0 72 -4,-2.3 4,-2.8 -5,-0.2 -2,-0.2 0.908 108.9 48.4 -55.2 -46.3 -14.8 16.7 83.6 36 39 A A H X S+ 0 0 41 -4,-2.2 4,-2.2 2,-0.2 5,-0.2 0.925 112.6 49.5 -63.8 -41.8 -12.1 19.1 82.5 37 40 A L H X S+ 0 0 25 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.927 112.7 47.8 -59.3 -47.1 -13.2 21.4 85.4 38 41 A N H X S+ 0 0 38 -4,-2.8 4,-2.8 2,-0.2 5,-0.2 0.913 110.2 51.5 -61.8 -42.9 -13.0 18.5 87.8 39 42 A N H X S+ 0 0 107 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.927 111.7 45.8 -66.9 -42.4 -9.6 17.4 86.6 40 43 A K H X S+ 0 0 86 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.934 113.1 49.6 -62.0 -45.1 -8.0 20.8 86.9 41 44 A A H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.2 0.950 112.3 48.1 -63.0 -48.3 -9.5 21.3 90.4 42 45 A A H X S+ 0 0 56 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.888 109.3 53.4 -57.8 -39.7 -8.2 17.9 91.6 43 46 A D H X S+ 0 0 65 -4,-2.0 4,-0.8 -5,-0.2 -2,-0.2 0.945 112.3 45.3 -61.7 -43.8 -4.8 18.7 90.1 44 47 A S H >< S+ 0 0 0 -4,-2.6 3,-0.8 1,-0.2 4,-0.3 0.920 111.5 50.7 -66.1 -47.2 -4.6 21.9 92.1 45 48 A L H >< S+ 0 0 45 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.879 108.1 53.2 -57.1 -38.4 -5.9 20.4 95.3 46 49 A A H 3< S+ 0 0 88 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.725 107.8 53.0 -71.4 -20.7 -3.3 17.6 95.1 47 50 A K T << S+ 0 0 60 -4,-0.8 12,-2.5 -3,-0.8 13,-0.3 0.367 80.0 126.2 -95.9 0.9 -0.6 20.3 94.7 48 51 A L B < -A 58 0A 38 -3,-1.3 2,-0.7 -4,-0.3 10,-0.3 -0.405 64.9-126.1 -62.5 134.1 -1.6 22.3 97.8 49 52 A D - 0 0 29 8,-2.8 5,-0.1 1,-0.1 -1,-0.1 -0.738 28.3-176.1 -75.8 113.5 1.2 22.9 100.4 50 53 A A + 0 0 104 -2,-0.7 -1,-0.1 2,-0.0 -2,-0.1 0.406 37.4 124.8 -95.3 2.8 -0.4 21.5 103.6 51 54 A A > - 0 0 57 1,-0.1 3,-1.1 2,-0.1 2,-0.2 -0.188 68.3-107.7 -69.1 148.4 2.5 22.5 105.9 52 55 A A T 3 S+ 0 0 107 1,-0.2 -1,-0.1 2,-0.0 -2,-0.0 -0.548 107.4 9.3 -66.9 141.1 2.3 24.6 109.0 53 56 A G T 3 S- 0 0 84 -2,-0.2 -1,-0.2 1,-0.1 -2,-0.1 0.788 90.9-175.6 46.3 35.2 3.9 28.0 108.3 54 57 A R < - 0 0 33 -3,-1.1 -1,-0.1 1,-0.1 3,-0.0 -0.251 25.1-154.2 -51.8 140.7 4.1 27.3 104.6 55 58 A T S S+ 0 0 95 55,-0.0 8,-0.4 2,-0.0 2,-0.3 0.231 79.9 41.7-103.4 6.7 5.8 30.0 102.5 56 59 A S - 0 0 16 6,-0.1 6,-0.1 1,-0.1 3,-0.1 -0.956 66.8-143.2-141.2 162.1 3.8 29.0 99.4 57 60 A V S S+ 0 0 0 4,-0.3 -8,-2.8 -2,-0.3 2,-0.3 0.824 94.5 33.2 -91.1 -37.9 0.2 28.0 98.7 58 61 A F B > S-A 48 0A 0 3,-0.5 3,-1.1 -10,-0.3 -1,-0.2 -0.901 78.5-132.9-119.2 147.7 1.1 25.4 96.0 59 62 A T T 3 S+ 0 0 100 -12,-2.5 -11,-0.1 -2,-0.3 -1,-0.1 0.715 107.2 47.3 -75.3 -17.9 4.3 23.3 96.2 60 63 A D T 3 S+ 0 0 67 -13,-0.3 2,-0.5 1,-0.1 -1,-0.3 0.375 101.9 73.6-106.0 4.2 5.1 23.9 92.5 61 64 A L < - 0 0 14 -3,-1.1 2,-0.6 10,-0.0 -3,-0.5 -0.946 64.7-153.1-126.9 117.6 4.5 27.7 92.6 62 65 A S > - 0 0 45 -2,-0.5 3,-1.9 1,-0.1 6,-0.3 -0.736 8.4-152.1 -88.3 121.2 6.9 30.2 94.2 63 66 A L T 3 S+ 0 0 17 -2,-0.6 6,-0.2 -8,-0.4 -1,-0.1 0.753 96.0 67.0 -59.6 -20.8 5.3 33.5 95.5 64 67 A A T 3 S+ 0 0 95 4,-0.1 2,-0.6 5,-0.0 -1,-0.3 0.508 88.4 72.7 -80.2 -4.6 8.7 35.2 94.8 65 68 A K S <> S- 0 0 122 -3,-1.9 4,-2.3 1,-0.1 3,-0.5 -0.956 80.2-147.1-107.7 116.8 8.2 34.6 91.1 66 69 A D H > S+ 0 0 38 -2,-0.6 4,-1.9 1,-0.2 -1,-0.1 0.872 95.1 52.1 -60.7 -35.1 5.6 37.1 89.9 67 70 A A H > S+ 0 0 53 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.864 110.9 47.9 -63.1 -39.5 4.2 34.8 87.2 68 71 A E H > S+ 0 0 55 -3,-0.5 4,-2.0 -6,-0.3 -1,-0.2 0.779 105.5 58.9 -76.7 -25.0 3.8 32.0 89.7 69 72 A M H X S+ 0 0 0 -4,-2.3 4,-1.9 -7,-0.2 -2,-0.2 0.925 107.3 47.6 -63.2 -41.6 2.1 34.4 92.1 70 73 A V H X S+ 0 0 15 -4,-1.9 4,-2.5 -5,-0.2 5,-0.2 0.962 111.2 49.8 -58.4 -51.0 -0.5 35.0 89.3 71 74 A T H X S+ 0 0 52 -4,-2.1 4,-2.5 1,-0.2 5,-0.3 0.855 105.0 59.1 -63.6 -33.8 -0.9 31.2 88.7 72 75 A T H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.975 110.8 41.5 -55.8 -48.9 -1.4 30.8 92.5 73 76 A Y H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.887 113.2 51.1 -68.7 -35.9 -4.3 33.2 92.3 74 77 A T H X S+ 0 0 58 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.882 108.9 53.3 -69.4 -31.7 -5.9 31.8 89.0 75 78 A R H X S+ 0 0 20 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.905 110.1 48.6 -64.5 -41.9 -5.7 28.3 90.5 76 79 A L H X S+ 0 0 1 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.908 111.6 47.2 -65.3 -40.1 -7.6 29.6 93.5 77 80 A S H X S+ 0 0 15 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.875 111.0 52.4 -68.5 -36.0 -10.2 31.3 91.4 78 81 A Q H X S+ 0 0 33 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.910 110.1 49.4 -59.3 -46.0 -10.6 28.0 89.3 79 82 A L H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.934 111.3 48.7 -63.1 -43.0 -11.1 26.1 92.5 80 83 A A H X S+ 0 0 0 -4,-2.2 4,-1.0 2,-0.2 -1,-0.2 0.866 109.9 52.1 -64.3 -36.3 -13.7 28.6 93.6 81 84 A T H < S+ 0 0 25 -4,-2.0 3,-0.5 2,-0.2 4,-0.3 0.938 111.8 45.8 -59.6 -48.8 -15.4 28.3 90.1 82 85 A A H >< S+ 0 0 0 -4,-2.8 3,-1.7 1,-0.2 6,-0.2 0.914 108.5 56.4 -61.9 -46.0 -15.6 24.5 90.5 83 86 A W H 3< S+ 0 0 38 -4,-2.7 9,-2.6 1,-0.3 -1,-0.2 0.783 112.6 43.4 -57.7 -27.7 -16.8 24.9 94.1 84 87 A A T 3< S+ 0 0 11 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.329 92.2 97.4 -98.2 3.1 -19.7 27.0 92.7 85 88 A T S X S- 0 0 1 -3,-1.7 3,-2.1 -4,-0.3 6,-0.2 -0.838 75.8-124.2 -99.1 111.5 -20.5 24.9 89.6 86 89 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.238 95.1 18.7 -52.3 140.7 -23.5 22.5 90.1 87 90 A T T 3 S+ 0 0 102 1,-0.3 2,-0.1 2,-0.1 -2,-0.0 0.159 91.4 131.0 78.3 -10.2 -22.6 18.8 89.3 88 91 A A S X S- 0 0 7 -3,-2.1 3,-1.4 -6,-0.2 -1,-0.3 -0.410 70.6-116.0 -66.6 155.0 -18.8 19.5 89.7 89 92 A A T 3 S+ 0 0 77 1,-0.3 -1,-0.1 -55,-0.2 -2,-0.1 0.859 115.4 39.3 -60.9 -37.4 -17.0 17.0 92.0 90 93 A V T > S+ 0 0 21 2,-0.1 3,-2.4 -5,-0.1 -1,-0.3 0.271 82.1 146.3 -99.9 11.2 -16.1 19.7 94.5 91 94 A F T < S- 0 0 103 -3,-1.4 -7,-0.2 1,-0.3 -8,-0.2 -0.277 81.9 -10.9 -51.4 124.2 -19.4 21.6 94.3 92 95 A G T 3 S+ 0 0 46 -9,-2.6 2,-0.5 1,-0.2 -1,-0.3 0.600 92.3 163.1 57.9 16.3 -20.2 23.1 97.7 93 96 A D <> - 0 0 69 -3,-2.4 4,-2.6 1,-0.1 -1,-0.2 -0.505 31.3-154.2 -75.3 120.2 -17.4 21.0 99.3 94 97 A A H > S+ 0 0 80 -2,-0.5 4,-2.2 1,-0.2 5,-0.2 0.884 92.6 50.5 -62.8 -44.7 -16.5 22.4 102.8 95 98 A A H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.895 112.1 49.4 -60.7 -40.3 -12.9 21.1 102.9 96 99 A V H > S+ 0 0 10 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.938 108.8 51.7 -65.1 -49.1 -12.3 22.7 99.4 97 100 A L H X S+ 0 0 17 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.920 110.1 50.4 -49.0 -44.7 -13.8 26.0 100.5 98 101 A A H X S+ 0 0 60 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.902 109.8 50.1 -66.1 -37.4 -11.4 26.0 103.5 99 102 A A H X S+ 0 0 23 -4,-1.9 4,-2.0 2,-0.2 -1,-0.2 0.896 110.1 49.7 -68.7 -38.1 -8.5 25.3 101.3 100 103 A I H X S+ 0 0 0 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.958 112.7 47.3 -64.3 -46.4 -9.4 28.1 99.0 101 104 A K H X S+ 0 0 55 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.897 111.9 49.1 -64.3 -39.9 -9.8 30.6 101.8 102 105 A A H X S+ 0 0 41 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.858 111.1 52.3 -66.3 -36.4 -6.5 29.6 103.5 103 106 A G H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.905 111.3 44.5 -63.1 -43.5 -4.8 30.0 100.1 104 107 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.903 116.2 49.0 -69.6 -38.8 -6.2 33.5 99.6 105 108 A A H X S+ 0 0 26 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.950 114.1 43.0 -68.6 -49.1 -5.2 34.4 103.2 106 109 A D H X S+ 0 0 52 -4,-2.7 4,-2.9 2,-0.2 5,-0.3 0.879 112.2 52.9 -67.7 -41.4 -1.7 33.0 103.1 107 110 A A H X>S+ 0 0 0 -4,-2.3 5,-2.6 -5,-0.2 4,-1.6 0.914 112.5 46.7 -59.9 -42.9 -1.0 34.5 99.6 108 111 A N H <5S+ 0 0 23 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.955 116.3 43.4 -57.1 -55.1 -2.1 37.9 101.0 109 112 A T H <5S+ 0 0 96 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.893 121.7 38.5 -59.5 -46.7 -0.1 37.6 104.2 110 113 A L H <5S- 0 0 81 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.719 139.5 -18.1 -75.7 -31.6 3.1 36.3 102.5 111 114 A C T <5S+ 0 0 11 -4,-1.6 2,-1.2 -5,-0.3 -3,-0.2 0.548 113.2 63.3-144.0 -60.3 3.0 38.3 99.3 112 115 A Y S S- 0 0 12 -2,-1.2 3,-1.8 42,-0.1 39,-0.1 -0.934 75.9 -96.1-139.3 174.1 -1.0 42.9 100.3 114 117 A D T 3 S+ 0 0 69 -2,-0.3 -2,-0.0 1,-0.3 38,-0.0 0.499 118.7 54.9 -74.8 -1.4 -1.3 46.7 100.7 115 118 A R T 3 S+ 0 0 192 2,-0.1 2,-0.4 0, 0.0 -1,-0.3 0.361 90.8 93.2-105.7 3.1 2.1 47.0 102.4 116 119 A K < - 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