==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 21-APR-06 2GQN . COMPND 2 MOLECULE: CYSTATHIONINE BETA-LYASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR R.SUMMERFIELD,M.S.JUNOP . 783 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30788.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 66 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 0 0.0 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 . 47 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 13.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 30.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.6 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 2 0 4 2 4 1 4 1 3 3 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 2 2 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 PARALLEL BRIDGES PER LADDER . 3 0 0 2 8 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 2 0 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 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 5 A K > 0 0 192 0, 0.0 4,-2.6 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -9.1 15.2 22.3 65.0 2 6 A L H > + 0 0 58 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.899 360.0 53.3 -52.9 -40.1 12.2 20.9 63.0 3 7 A D H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.866 111.7 45.1 -66.8 -33.9 10.9 24.5 62.4 4 8 A T H > S+ 0 0 66 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.886 111.2 52.1 -74.7 -43.4 14.3 25.5 60.9 5 9 A Q H X S+ 0 0 63 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.917 109.7 51.0 -56.8 -48.1 14.6 22.4 58.8 6 10 A L H < S+ 0 0 2 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.881 108.2 50.5 -60.1 -42.9 11.1 23.0 57.4 7 11 A V H < S+ 0 0 67 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.2 0.849 123.4 31.0 -60.8 -36.1 11.9 26.6 56.4 8 12 A N H >< S+ 0 0 85 -4,-1.6 3,-2.4 -3,-0.2 -2,-0.2 0.643 80.8 130.5-103.3 -16.2 15.2 25.5 54.7 9 13 A A T 3< S- 0 0 0 -4,-2.7 57,-0.2 1,-0.3 58,-0.1 -0.148 88.7 -6.6 -50.1 121.7 14.4 22.0 53.3 10 14 A G T 3 S+ 0 0 0 55,-0.2 2,-1.1 1,-0.1 -1,-0.3 0.406 94.6 127.3 71.1 3.8 15.4 21.7 49.6 11 15 A R < + 0 0 62 -3,-2.4 2,-0.2 4,-0.1 -1,-0.1 -0.306 29.0 152.1 -91.2 50.5 16.2 25.5 49.3 12 16 A S >> - 0 0 39 -2,-1.1 3,-2.3 1,-0.1 4,-2.0 -0.519 58.3-114.9 -72.5 148.4 19.7 25.1 47.9 13 17 A K H 3> S+ 0 0 110 1,-0.3 4,-2.2 2,-0.2 6,-0.1 0.776 115.0 64.9 -52.7 -31.4 20.9 27.9 45.7 14 18 A K H 34 S+ 0 0 130 1,-0.2 -1,-0.3 2,-0.2 48,-0.1 0.705 112.7 35.4 -70.3 -14.0 21.0 25.6 42.7 15 19 A Y H <4 S+ 0 0 19 -3,-2.3 8,-3.1 -5,-0.1 -2,-0.2 0.746 122.1 41.6-103.9 -36.6 17.2 25.3 43.1 16 20 A T H >< S- 0 0 9 -4,-2.0 3,-2.1 6,-0.3 -3,-0.2 0.747 80.9-161.6 -85.3 -31.6 16.2 28.8 44.2 17 21 A L T 3< S- 0 0 44 -4,-2.2 3,-0.1 1,-0.3 -3,-0.1 0.776 77.1 -33.3 55.4 33.9 18.6 30.7 41.8 18 22 A G T 3 S+ 0 0 10 1,-0.5 406,-3.0 -5,-0.1 -1,-0.3 0.090 121.5 99.8 111.0 -21.1 18.5 34.0 43.8 19 23 A A S < S- 0 0 4 -3,-2.1 -1,-0.5 404,-0.2 404,-0.1 -0.276 78.3-121.7 -87.5 178.3 14.9 33.7 45.0 20 24 A V S S+ 0 0 53 402,-0.5 2,-0.2 399,-0.2 -1,-0.1 0.882 97.4 47.4 -81.5 -47.3 13.7 32.6 48.3 21 25 A N S S- 0 0 40 398,-0.4 -2,-0.2 1,-0.1 3,-0.1 -0.507 102.2 -87.3 -92.1 159.4 11.6 29.7 46.9 22 26 A S - 0 0 4 -2,-0.2 -6,-0.3 224,-0.1 397,-0.3 -0.294 50.2-104.0 -52.4 147.7 12.6 27.1 44.3 23 27 A V - 0 0 0 -8,-3.1 2,-0.7 395,-0.1 395,-0.2 -0.315 26.8-124.5 -62.7 158.8 12.2 28.1 40.6 24 28 A I B -A 417 0A 0 393,-2.5 393,-3.3 -3,-0.1 2,-0.8 -0.962 28.9-174.6-108.1 107.2 9.3 26.6 38.8 25 29 A Q - 0 0 0 -2,-0.7 2,-0.6 391,-0.2 34,-0.2 -0.915 5.6-164.3-106.3 100.8 10.8 25.0 35.7 26 30 A R + 0 0 67 -2,-0.8 388,-0.4 389,-0.3 2,-0.3 -0.798 30.2 139.1 -85.0 123.4 8.0 23.7 33.5 27 31 A A + 0 0 32 -2,-0.6 29,-0.1 385,-0.1 215,-0.1 -0.972 41.8 173.1-161.5 145.2 9.3 21.2 31.0 28 32 A S S S+ 0 0 70 -2,-0.3 25,-2.6 1,-0.3 26,-0.2 0.548 87.7 51.1 -97.0 -76.3 8.9 18.0 29.1 29 33 A S - 0 0 64 23,-0.2 384,-0.5 24,-0.1 2,-0.4 -0.332 69.3-164.9 -56.1 133.1 12.0 18.4 26.7 30 34 A L B -B 412 0B 10 21,-0.5 2,-0.3 382,-0.1 382,-0.2 -0.992 21.9-127.4-120.3 127.1 15.2 19.2 28.5 31 35 A V - 0 0 72 380,-3.5 2,-0.5 -2,-0.4 19,-0.0 -0.654 12.2-152.6 -86.4 135.6 17.9 20.5 26.0 32 36 A F - 0 0 64 -2,-0.3 3,-0.0 1,-0.1 6,-0.0 -0.916 5.5-154.4-101.7 123.5 21.4 19.0 25.8 33 37 A D S S+ 0 0 114 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.693 77.2 4.1 -69.6 -19.5 24.0 21.6 24.5 34 38 A S S > S- 0 0 53 1,-0.1 4,-2.3 -3,-0.0 5,-0.1 -0.968 74.0-104.4-156.0 170.0 26.2 18.7 23.2 35 39 A V H > S+ 0 0 103 -2,-0.3 4,-2.4 2,-0.2 5,-0.1 0.915 123.7 50.5 -65.8 -41.6 26.4 14.9 22.6 36 40 A E H > S+ 0 0 152 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.940 109.8 49.4 -57.7 -50.4 28.8 14.8 25.6 37 41 A A H > S+ 0 0 29 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.907 110.7 51.3 -52.6 -47.2 26.4 16.8 27.7 38 42 A K H X S+ 0 0 87 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.855 109.2 50.5 -63.3 -39.0 23.6 14.3 26.7 39 43 A K H X S+ 0 0 88 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.941 111.1 48.0 -62.8 -47.4 25.8 11.4 27.7 40 44 A H H X S+ 0 0 78 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.935 113.3 47.1 -58.8 -49.2 26.5 12.9 31.1 41 45 A A H < S+ 0 0 3 -4,-2.8 3,-0.3 1,-0.2 6,-0.2 0.932 109.5 55.7 -57.2 -47.9 22.7 13.7 31.7 42 46 A T H >< S+ 0 0 46 -4,-2.2 3,-1.4 1,-0.2 -2,-0.2 0.921 107.7 46.6 -53.1 -50.9 21.8 10.2 30.6 43 47 A R H 3< S+ 0 0 170 -4,-2.2 3,-0.3 1,-0.3 -1,-0.2 0.824 120.6 40.6 -62.4 -26.7 24.1 8.5 33.1 44 48 A N T ><>S+ 0 0 33 -4,-1.5 3,-1.6 -3,-0.3 5,-1.4 0.027 77.0 118.9-108.2 24.2 22.7 10.8 35.9 45 49 A R T < 5S+ 0 0 97 -3,-1.4 3,-0.2 1,-0.3 7,-0.2 0.670 84.4 38.6 -67.6 -19.5 19.0 10.8 34.8 46 50 A A T 3 5S+ 0 0 29 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.1 0.145 109.4 69.2-106.8 15.4 17.9 9.3 38.2 47 51 A N T < 5S- 0 0 111 -3,-1.6 -2,-0.1 -6,-0.2 -1,-0.1 -0.188 119.4 -84.3-134.9 33.1 20.4 11.4 40.1 48 52 A G T 5S+ 0 0 43 1,-0.2 2,-0.5 -3,-0.2 -3,-0.1 0.745 85.1 128.1 68.0 25.5 19.2 15.0 39.8 49 53 A E S > - 0 0 80 4,-0.3 3,-1.7 -7,-0.2 4,-1.0 -0.973 60.0-119.2-153.7 142.8 13.6 14.5 30.7 53 57 A G T 34 S+ 0 0 2 -25,-2.6 4,-0.1 -2,-0.3 -24,-0.1 0.765 111.4 64.3 -54.1 -28.0 10.6 16.2 32.3 54 58 A R T 34 S+ 0 0 103 1,-0.3 -1,-0.3 -26,-0.2 186,-0.1 0.824 105.3 44.3 -66.7 -33.4 9.2 12.8 33.3 55 59 A R T <4 S- 0 0 33 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.604 126.3-110.5 -79.5 -19.6 12.2 12.3 35.6 56 60 A G < - 0 0 2 -4,-1.0 -5,-0.5 -29,-0.1 -4,-0.3 -0.298 21.6-105.3 115.4 163.7 11.7 15.9 36.7 57 61 A T >> - 0 0 0 -4,-0.1 4,-2.7 -32,-0.1 3,-0.6 -0.488 53.9 -74.5-110.3-175.8 13.0 19.4 36.7 58 62 A L H 3> S+ 0 0 24 1,-0.3 4,-2.1 2,-0.2 5,-0.1 0.860 131.2 55.6 -46.3 -38.9 14.8 21.7 39.2 59 63 A T H 3> S+ 0 0 0 -34,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.866 108.0 45.4 -69.0 -38.7 11.5 22.1 41.0 60 64 A H H <> S+ 0 0 10 -3,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.926 111.9 52.9 -68.9 -46.3 10.9 18.4 41.4 61 65 A F H X S+ 0 0 12 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.861 106.7 53.2 -58.0 -43.1 14.5 17.8 42.6 62 66 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.921 111.3 45.2 -52.1 -51.8 14.1 20.6 45.2 63 67 A L H X S+ 0 0 0 -4,-1.7 4,-2.9 2,-0.2 5,-0.2 0.932 112.4 52.1 -59.8 -44.1 11.0 18.9 46.6 64 68 A Q H X S+ 0 0 51 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.917 109.3 48.6 -61.4 -47.3 12.7 15.5 46.6 65 69 A Q H X S+ 0 0 59 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.943 112.9 50.1 -52.5 -46.5 15.8 16.8 48.5 66 70 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -57,-0.2 -2,-0.2 0.923 110.8 47.1 -63.2 -42.2 13.3 18.4 51.0 67 71 A M H X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.891 111.4 52.4 -68.5 -38.7 11.3 15.2 51.5 68 72 A C H X>S+ 0 0 24 -4,-2.1 5,-1.7 -5,-0.2 4,-1.0 0.868 112.1 44.7 -64.3 -40.1 14.5 13.2 51.9 69 73 A E H <5S+ 0 0 76 -4,-2.3 3,-0.2 3,-0.2 -2,-0.2 0.944 114.9 48.2 -70.4 -41.1 15.9 15.5 54.6 70 74 A L H <5S+ 0 0 3 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.854 123.3 31.3 -67.3 -35.9 12.6 15.7 56.5 71 75 A E H <5S- 0 0 5 -4,-2.3 122,-0.4 -5,-0.2 -1,-0.2 0.441 106.6-117.2-105.7 4.5 11.9 12.0 56.5 72 76 A G T <5 + 0 0 42 -4,-1.0 2,-0.2 -3,-0.2 -3,-0.2 0.947 62.1 149.3 67.2 47.2 15.5 10.7 56.6 73 77 A G < - 0 0 21 -5,-1.7 149,-0.2 -6,-0.2 -1,-0.2 -0.653 58.4-134.5-113.4 168.1 15.4 8.9 53.3 74 78 A A S S- 0 0 42 147,-2.5 2,-0.3 1,-0.3 148,-0.2 0.728 91.5 -1.8 -85.4 -30.6 17.7 7.9 50.4 75 79 A G E -C 221 0C 2 146,-1.5 146,-2.7 -8,-0.1 2,-0.4 -0.988 57.2-141.8-158.3 163.6 15.1 9.0 47.8 76 80 A C E -C 220 0C 3 -2,-0.3 2,-0.4 144,-0.2 144,-0.2 -0.994 15.7-157.8-132.7 124.0 11.6 10.4 47.3 77 81 A V E -C 219 0C 11 142,-2.6 142,-1.9 -2,-0.4 2,-0.3 -0.817 13.6-142.9-105.3 139.9 9.4 9.2 44.5 78 82 A L E +C 218 0C 12 -2,-0.4 140,-0.2 140,-0.2 -18,-0.0 -0.808 18.8 177.9-110.6 146.7 6.6 11.5 43.4 79 83 A F E -C 217 0C 0 138,-2.5 138,-2.3 -2,-0.3 161,-0.1 -0.925 43.0-106.3-141.5 160.9 3.0 10.6 42.2 80 84 A P S S- 0 0 59 0, 0.0 2,-0.3 0, 0.0 161,-0.1 0.659 97.9 -11.0 -67.9 -15.9 -0.0 12.5 41.1 81 85 A C S > S- 0 0 32 135,-0.1 4,-1.5 134,-0.1 136,-0.5 -0.952 77.2 -91.8-164.6 174.3 -1.9 11.8 44.4 82 86 A G H > S+ 0 0 8 134,-0.3 4,-2.4 -2,-0.3 5,-0.2 0.887 121.6 55.7 -61.3 -42.1 -1.7 9.7 47.5 83 87 A A H > S+ 0 0 47 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.885 107.7 49.9 -65.0 -33.5 -3.7 6.9 46.1 84 88 A A H > S+ 0 0 15 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.848 108.8 52.3 -66.4 -34.9 -1.3 6.7 43.2 85 89 A A H X S+ 0 0 0 -4,-1.5 4,-2.1 2,-0.2 5,-0.3 0.897 113.5 44.3 -71.9 -37.6 1.7 6.6 45.6 86 90 A V H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.983 116.6 43.2 -67.7 -53.3 0.1 3.7 47.5 87 91 A A H X S+ 0 0 18 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.899 120.6 42.4 -60.6 -44.4 -1.0 1.6 44.5 88 92 A N H X S+ 0 0 20 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.814 110.1 54.0 -76.4 -33.0 2.3 2.2 42.7 89 93 A S H < S+ 0 0 0 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.925 114.5 43.8 -64.4 -43.8 4.6 1.7 45.7 90 94 A I H >X S+ 0 0 0 -4,-2.4 3,-1.5 -5,-0.3 4,-0.7 0.956 113.2 50.3 -64.3 -47.0 3.0 -1.7 46.3 91 95 A L H >< S+ 0 0 46 -4,-2.2 3,-1.0 1,-0.3 -1,-0.2 0.892 100.9 65.6 -55.5 -41.2 3.0 -2.6 42.6 92 96 A A T 3< S+ 0 0 5 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.701 109.9 36.3 -56.4 -21.6 6.7 -1.7 42.4 93 97 A F T <4 S+ 0 0 3 -3,-1.5 -1,-0.2 -4,-0.5 -2,-0.2 0.450 101.0 85.7-114.5 -4.2 7.5 -4.6 44.7 94 98 A I << - 0 0 28 -3,-1.0 2,-0.3 -4,-0.7 29,-0.1 -0.564 43.3-178.4-101.3 165.5 5.2 -7.4 43.9 95 99 A E > - 0 0 130 -2,-0.2 3,-2.1 27,-0.1 50,-0.1 -0.947 49.4 -70.8-144.9 160.8 5.1 -10.3 41.4 96 100 A Q T 3 S+ 0 0 165 -2,-0.3 27,-0.2 1,-0.3 26,-0.2 -0.197 122.3 33.5 -51.6 135.4 2.5 -13.0 40.7 97 101 A G T 3 S+ 0 0 45 25,-3.4 -1,-0.3 1,-0.3 26,-0.2 0.298 91.7 126.7 92.8 -10.0 2.5 -15.5 43.6 98 102 A D < - 0 0 20 -3,-2.1 26,-2.1 24,-0.1 2,-0.4 -0.332 51.5-137.1 -73.4 162.2 3.3 -12.8 46.3 99 103 A H E -de 124 144C 2 44,-2.4 46,-2.5 24,-0.2 47,-1.4 -0.961 9.2-154.7-119.7 138.4 1.3 -12.1 49.4 100 104 A V E -de 125 146C 0 24,-3.0 26,-2.5 -2,-0.4 2,-0.6 -0.966 1.3-161.1-113.8 131.0 0.4 -8.7 50.8 101 105 A L E +de 126 147C 0 45,-3.1 47,-3.2 -2,-0.5 2,-0.3 -0.943 19.6 174.5-114.1 112.9 -0.3 -8.1 54.5 102 106 A M E -de 127 148C 0 24,-2.3 26,-1.4 -2,-0.6 47,-0.2 -0.897 36.4-106.3-124.8 138.8 -2.2 -4.9 55.1 103 107 A T E > -d 128 0C 0 45,-2.0 3,-1.6 -2,-0.3 26,-0.2 -0.372 26.3-132.0 -60.9 141.2 -3.8 -3.4 58.3 104 108 A N T 3 S+ 0 0 3 24,-3.0 -1,-0.1 1,-0.3 25,-0.1 0.595 106.5 64.4 -74.7 -5.3 -7.6 -3.7 58.2 105 109 A T T 3 S+ 0 0 0 23,-0.3 49,-2.1 250,-0.1 -1,-0.3 0.211 76.5 130.6 -92.8 10.2 -7.6 -0.0 59.1 106 110 A A S < S- 0 0 0 -3,-1.6 5,-0.2 47,-0.2 47,-0.1 -0.318 76.1 -82.9 -64.0 143.1 -6.0 1.0 55.9 107 111 A Y >> - 0 0 102 1,-0.1 4,-1.6 3,-0.1 3,-1.4 -0.252 47.5-116.1 -42.0 129.9 -7.6 3.8 53.8 108 112 A E H 3> S+ 0 0 87 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.851 112.9 52.4 -48.2 -50.4 -10.4 2.1 51.8 109 113 A P H 3> S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.824 106.4 56.0 -60.0 -25.2 -8.9 2.8 48.3 110 114 A S H <> S+ 0 0 3 -3,-1.4 4,-1.5 2,-0.2 -2,-0.2 0.923 110.7 44.6 -70.1 -40.6 -5.7 1.2 49.5 111 115 A Q H X S+ 0 0 10 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.924 113.1 50.4 -64.7 -47.8 -7.7 -1.9 50.4 112 116 A D H X>S+ 0 0 51 -4,-3.1 4,-3.1 2,-0.2 5,-0.6 0.863 103.4 58.6 -57.9 -43.4 -9.6 -1.8 47.1 113 117 A F H X>S+ 0 0 26 -4,-2.3 5,-1.9 -5,-0.2 4,-1.8 0.935 112.7 43.3 -49.6 -48.1 -6.4 -1.5 45.1 114 118 A C H <>S+ 0 0 1 -4,-1.5 5,-1.3 3,-0.2 -2,-0.2 0.949 119.0 39.2 -60.5 -52.9 -5.4 -4.8 46.8 115 119 A S H <5S+ 0 0 59 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.833 128.1 31.4 -77.7 -28.8 -8.7 -6.7 46.4 116 120 A K H <5S+ 0 0 136 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.2 0.709 131.1 24.2 -99.7 -29.7 -9.6 -5.4 42.9 117 121 A I T >< XS+ 0 0 0 -5,-1.9 3,-1.9 1,-0.2 5,-1.8 0.868 106.1 61.5 -59.0 -41.4 -3.7 -7.2 42.8 119 123 A S G > - 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