==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LYASE 04-NOV-10 2XWP . COMPND 2 MOLECULE: SIROHYDROCHLORIN COBALTOCHELATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA ENTERICA; . AUTHOR D.LADAKIS,A.A.BRINDLEY,E.DEERY,M.J.WARREN,R.W.PICKERSGILL . 257 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12245.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 194 75.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 14.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 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 . 1 0.4 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 . 14 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 37.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.1 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 0 0 0 1 1 0 0 3 2 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 2 3 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 . 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 2 A K 0 0 135 0, 0.0 74,-1.6 0, 0.0 73,-1.2 0.000 360.0 360.0 360.0 117.2 -22.4 -61.9 -10.2 2 3 A K E -a 75 0A 84 32,-0.4 34,-2.3 71,-0.2 2,-0.3 -0.922 360.0-174.2-129.9 131.4 -20.9 -58.4 -10.2 3 4 A A E -ab 76 36A 0 72,-2.9 74,-2.5 -2,-0.4 2,-0.4 -0.857 13.3-155.7-121.3 154.0 -18.2 -56.3 -8.6 4 5 A L E -ab 77 37A 0 32,-3.0 34,-2.6 -2,-0.3 2,-0.5 -0.993 15.4-168.2-121.0 120.0 -17.1 -52.6 -8.6 5 6 A L E -ab 78 38A 1 72,-3.0 74,-2.2 -2,-0.4 2,-0.6 -0.940 2.9-162.7-112.6 123.2 -13.3 -52.1 -7.8 6 7 A V E -ab 79 39A 0 32,-2.6 34,-1.9 -2,-0.5 2,-0.5 -0.921 5.6-163.0-110.4 120.1 -12.3 -48.6 -7.1 7 8 A V E +ab 80 40A 0 72,-2.4 74,-2.7 -2,-0.6 2,-0.3 -0.914 10.4 178.4-112.6 122.4 -8.5 -48.0 -7.3 8 9 A S E - b 0 41A 0 32,-2.0 34,-2.2 -2,-0.5 35,-0.3 -0.738 43.0-120.3-108.0 162.6 -6.9 -44.9 -5.7 9 10 A F - 0 0 97 -2,-0.3 34,-2.0 72,-0.3 37,-0.2 0.953 66.3-141.0 -58.3 -49.0 -3.3 -43.8 -5.6 10 11 A G - 0 0 7 31,-0.1 2,-0.3 32,-0.1 192,-0.1 -0.397 19.6-133.0 115.9 171.4 -4.0 -44.0 -1.8 11 12 A T - 0 0 11 -2,-0.1 -3,-0.0 -3,-0.1 192,-0.0 -0.971 12.5-149.7-158.5 147.1 -3.2 -42.1 1.4 12 13 A S S S+ 0 0 9 -2,-0.3 2,-0.7 37,-0.0 -1,-0.1 0.504 78.1 95.7 -89.2 -7.7 -1.9 -43.0 4.9 13 14 A Y > - 0 0 86 1,-0.2 4,-1.8 2,-0.0 5,-0.1 -0.752 63.9-158.1 -89.4 113.5 -3.8 -40.0 6.4 14 15 A H H > S+ 0 0 93 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.892 84.5 51.4 -62.2 -46.5 -7.2 -41.3 7.7 15 16 A D H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 113.5 44.0 -63.5 -44.2 -9.2 -38.0 7.7 16 17 A T H >>S+ 0 0 12 2,-0.2 4,-1.5 1,-0.2 5,-0.5 0.864 110.7 56.2 -67.0 -30.9 -8.3 -37.1 4.1 17 18 A C H X>S+ 0 0 11 -4,-1.8 5,-2.3 2,-0.2 4,-0.9 0.947 111.2 44.6 -63.2 -43.6 -9.0 -40.7 2.9 18 19 A E H <>S+ 0 0 111 -4,-2.4 5,-1.0 1,-0.2 -2,-0.2 0.940 114.4 46.8 -69.7 -46.1 -12.5 -40.5 4.4 19 20 A K H <5S+ 0 0 97 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.728 131.8 15.9 -68.8 -20.0 -13.3 -37.0 3.0 20 21 A N H X5S+ 0 0 0 -4,-1.5 4,-1.9 -3,-0.3 -3,-0.2 0.815 128.2 34.9-121.0 -62.9 -12.0 -38.0 -0.5 21 22 A I H X< S+ 0 0 26 -4,-3.2 3,-1.1 1,-0.2 6,-0.3 0.925 108.9 53.2 -58.1 -39.7 -21.2 -47.7 -5.5 30 31 A A H 3< S+ 0 0 76 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.841 105.6 52.9 -63.0 -31.4 -24.5 -45.7 -5.6 31 32 A S H 3< S+ 0 0 36 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.679 118.9 36.3 -80.2 -13.1 -24.4 -45.4 -9.4 32 33 A C X< + 0 0 2 -3,-1.1 3,-2.5 -4,-0.9 -1,-0.3 -0.583 68.2 162.6-131.5 59.2 -23.9 -49.3 -9.6 33 34 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.653 72.7 64.2 -66.9 -10.4 -26.1 -50.5 -6.8 34 35 A D T 3 S+ 0 0 96 -3,-0.1 2,-0.4 2,-0.1 -32,-0.4 0.378 92.8 84.5 -82.6 1.7 -26.1 -54.1 -8.3 35 36 A R S < S- 0 0 29 -3,-2.5 2,-0.4 -6,-0.3 -32,-0.3 -0.838 76.8-129.0-107.6 139.7 -22.3 -54.3 -7.7 36 37 A D E -b 3 0A 81 -34,-2.3 -32,-3.0 -2,-0.4 2,-0.3 -0.759 35.7-121.6 -79.0 136.7 -20.4 -55.3 -4.6 37 38 A L E +b 4 0A 75 -2,-0.4 2,-0.3 -34,-0.2 -32,-0.2 -0.624 34.3 172.5 -90.2 132.7 -17.8 -52.6 -3.7 38 39 A F E -b 5 0A 49 -34,-2.6 -32,-2.6 -2,-0.3 2,-0.3 -0.930 15.7-146.3-133.8 154.8 -14.0 -53.3 -3.4 39 40 A R E +b 6 0A 69 -2,-0.3 20,-0.5 -34,-0.2 2,-0.3 -0.917 16.7 169.9-120.4 144.6 -10.9 -51.1 -2.9 40 41 A A E -b 7 0A 0 -34,-1.9 -32,-2.0 -2,-0.3 2,-0.3 -0.973 17.5-147.9-144.3 156.2 -7.3 -51.2 -4.1 41 42 A F E -b 8 0A 2 18,-2.0 -32,-0.2 -2,-0.3 -31,-0.1 -0.883 8.3-151.5-115.0 146.0 -4.4 -48.6 -4.0 42 43 A T S S+ 0 0 3 -34,-2.2 2,-1.0 -2,-0.3 -33,-0.2 0.777 76.2 88.5 -81.4 -25.9 -1.6 -48.2 -6.5 43 44 A S > - 0 0 9 -34,-2.0 4,-2.2 -35,-0.3 5,-0.1 -0.622 53.7-174.7 -80.7 102.6 0.9 -46.9 -4.0 44 45 A G H > S+ 0 0 39 -2,-1.0 4,-2.5 2,-0.2 -1,-0.2 0.849 84.8 57.7 -59.5 -36.3 2.7 -50.0 -2.5 45 46 A M H > S+ 0 0 152 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.904 108.0 45.8 -62.3 -43.5 4.6 -47.7 -0.1 46 47 A I H > S+ 0 0 35 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.933 111.7 51.6 -66.5 -46.3 1.3 -46.4 1.3 47 48 A I H X S+ 0 0 11 -4,-2.2 4,-2.1 2,-0.2 11,-0.2 0.884 110.7 49.5 -50.5 -46.3 -0.1 -49.9 1.5 48 49 A R H X S+ 0 0 122 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.923 109.7 50.4 -63.3 -46.3 3.1 -51.0 3.4 49 50 A K H X>S+ 0 0 103 -4,-2.3 4,-2.8 1,-0.2 5,-0.7 0.910 110.1 50.8 -58.7 -44.6 2.8 -48.1 5.9 50 51 A L H X5S+ 0 0 7 -4,-2.5 6,-2.2 3,-0.2 4,-1.3 0.903 113.6 44.5 -60.2 -44.8 -0.8 -48.9 6.6 51 52 A R H X5S+ 0 0 125 -4,-2.1 4,-2.0 4,-0.3 -2,-0.2 0.985 120.5 38.7 -58.2 -60.8 -0.0 -52.6 7.3 52 53 A Q H <5S+ 0 0 130 -4,-2.8 -2,-0.2 1,-0.2 -3,-0.2 0.826 127.9 30.3 -66.6 -39.0 3.1 -51.9 9.5 53 54 A R H <5S+ 0 0 128 -4,-2.8 -1,-0.2 -5,-0.3 -3,-0.2 0.854 136.1 19.9 -87.8 -36.9 1.9 -48.8 11.4 54 55 A D H < - 0 0 41 -20,-0.2 4,-2.6 -2,-0.1 5,-0.2 -0.459 40.2-101.1 -76.2 167.3 -3.0 -53.9 -4.6 61 62 A P H > S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.908 125.0 53.1 -59.8 -39.2 -5.0 -54.1 -7.9 62 63 A L H > S+ 0 0 50 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.937 110.7 45.8 -59.7 -46.4 -3.5 -57.6 -8.6 63 64 A Q H > S+ 0 0 72 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.934 111.9 51.2 -63.9 -44.8 -4.5 -58.9 -5.1 64 65 A A H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.904 112.4 47.2 -56.0 -43.1 -8.1 -57.4 -5.4 65 66 A L H X S+ 0 0 1 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.926 110.3 51.0 -68.2 -46.0 -8.5 -59.1 -8.8 66 67 A Q H X S+ 0 0 104 -4,-2.8 4,-2.3 1,-0.2 -2,-0.2 0.928 113.3 46.8 -53.7 -45.9 -7.2 -62.5 -7.6 67 68 A K H X S+ 0 0 80 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.897 110.4 52.0 -64.9 -40.2 -9.7 -62.3 -4.7 68 69 A L H X>S+ 0 0 1 -4,-2.3 5,-2.3 2,-0.2 4,-0.5 0.934 111.7 46.7 -62.0 -46.1 -12.5 -61.3 -7.0 69 70 A A H ><5S+ 0 0 35 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.898 112.0 51.4 -60.2 -39.9 -11.8 -64.3 -9.3 70 71 A A H 3<5S+ 0 0 87 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.896 107.9 51.2 -63.1 -46.8 -11.6 -66.5 -6.3 71 72 A Q H 3<5S- 0 0 108 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.505 120.6-108.0 -73.4 -3.8 -15.0 -65.3 -4.9 72 73 A G T <<5 + 0 0 30 -3,-0.7 2,-0.7 -4,-0.5 -3,-0.2 0.703 59.4 159.0 91.6 16.0 -16.6 -66.0 -8.3 73 74 A Y < + 0 0 12 -5,-2.3 -1,-0.3 1,-0.2 -71,-0.2 -0.639 12.2 177.6 -72.3 118.5 -17.2 -62.5 -9.7 74 75 A Q + 0 0 94 -73,-1.2 31,-3.1 -2,-0.7 30,-1.1 0.681 68.7 50.3 -89.4 -18.9 -17.5 -62.9 -13.4 75 76 A D E +ac 2 105A 29 -74,-1.6 -72,-2.9 29,-0.2 2,-0.5 -0.983 67.0 174.9-131.8 108.9 -18.2 -59.2 -14.2 76 77 A V E -ac 3 106A 0 29,-2.5 31,-1.8 -2,-0.5 2,-0.5 -0.990 13.2-166.2-126.2 128.2 -15.9 -56.6 -12.7 77 78 A A E -ac 4 107A 0 -74,-2.5 -72,-3.0 -2,-0.5 2,-0.4 -0.928 12.2-165.5-107.2 130.1 -16.0 -52.8 -13.4 78 79 A I E -ac 5 108A 1 29,-2.0 31,-2.6 -2,-0.5 2,-0.4 -0.954 5.3-167.8-119.6 140.2 -13.0 -50.9 -12.3 79 80 A Q E -ac 6 109A 0 -74,-2.2 -72,-2.4 -2,-0.4 2,-0.4 -0.998 13.4-143.2-129.2 125.8 -12.7 -47.1 -11.9 80 81 A S E -a 7 0A 0 29,-1.3 -72,-0.2 -2,-0.4 170,-0.1 -0.718 5.4-161.9 -80.0 131.5 -9.5 -45.3 -11.4 81 82 A L + 0 0 2 -74,-2.7 -72,-0.3 -2,-0.4 120,-0.1 -0.050 52.6 125.7 -95.9 29.7 -9.5 -42.2 -9.1 82 83 A H - 0 0 13 -75,-0.2 30,-2.7 1,-0.1 31,-0.1 -0.494 59.6-142.0 -89.9 162.8 -6.3 -41.0 -10.6 83 84 A I S S+ 0 0 16 28,-0.2 30,-2.6 29,-0.2 2,-0.3 0.784 78.5 24.1 -86.9 -37.9 -6.0 -37.5 -12.1 84 85 A I S S- 0 0 17 28,-0.2 2,-1.1 27,-0.1 5,-0.3 -0.851 78.8-108.2-128.1 165.7 -3.7 -38.4 -15.1 85 86 A N S S+ 0 0 41 28,-0.5 65,-0.2 -2,-0.3 66,-0.1 -0.382 75.6 120.2 -84.9 56.0 -2.8 -41.3 -17.4 86 87 A G S > S- 0 0 5 -2,-1.1 4,-2.5 64,-0.1 5,-0.2 -0.007 82.0 -53.7-105.1-145.8 0.7 -41.7 -15.9 87 88 A D H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.829 130.6 53.5 -65.6 -38.2 2.6 -44.5 -14.2 88 89 A E H > S+ 0 0 54 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.927 111.8 42.2 -64.5 -48.6 0.0 -45.0 -11.5 89 90 A Y H > S+ 0 0 16 -5,-0.3 4,-2.3 1,-0.2 3,-0.3 0.898 112.0 56.3 -61.7 -42.5 -2.9 -45.5 -13.9 90 91 A E H X S+ 0 0 49 -4,-2.5 4,-2.7 2,-0.2 5,-0.2 0.825 96.8 62.9 -62.0 -30.5 -0.8 -47.6 -16.2 91 92 A K H X S+ 0 0 65 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.935 107.0 45.6 -57.8 -42.4 -0.1 -49.9 -13.2 92 93 A I H X S+ 0 0 0 -4,-1.1 4,-2.7 -3,-0.3 -2,-0.2 0.958 111.2 51.7 -60.5 -52.6 -3.8 -50.6 -13.2 93 94 A V H X S+ 0 0 41 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.894 113.1 45.3 -52.2 -45.5 -3.9 -51.1 -17.1 94 95 A R H X S+ 0 0 169 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.897 114.2 46.6 -68.7 -45.8 -1.0 -53.6 -16.9 95 96 A E H X S+ 0 0 37 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.849 113.5 50.2 -66.0 -34.7 -2.4 -55.6 -14.0 96 97 A V H X S+ 0 0 9 -4,-2.7 4,-1.9 -5,-0.2 -2,-0.2 0.950 109.5 51.2 -64.5 -46.9 -5.8 -55.6 -15.6 97 98 A Q H < S+ 0 0 123 -4,-2.8 -2,-0.2 -5,-0.2 -1,-0.2 0.843 110.1 50.1 -56.4 -40.5 -4.3 -56.9 -18.9 98 99 A L H < S+ 0 0 116 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.893 121.6 31.1 -65.1 -46.3 -2.5 -59.7 -17.0 99 100 A L H >< S+ 0 0 21 -4,-1.8 3,-2.8 1,-0.2 -2,-0.2 0.478 86.6 104.4 -97.4 -2.7 -5.6 -61.0 -15.2 100 101 A R G >< S+ 0 0 135 -4,-1.9 3,-2.1 1,-0.3 -1,-0.2 0.825 73.5 63.5 -46.0 -43.0 -8.3 -60.1 -17.8 101 102 A P G 3 S+ 0 0 108 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.651 89.4 70.2 -63.8 -10.4 -8.6 -63.7 -18.8 102 103 A L G < S+ 0 0 95 -3,-2.8 2,-0.3 2,-0.0 -2,-0.2 0.526 97.2 60.2 -79.4 -3.6 -9.8 -64.6 -15.3 103 104 A F < - 0 0 17 -3,-2.1 3,-0.2 -4,-0.2 -29,-0.1 -0.894 67.6-145.0-128.3 149.3 -13.1 -62.8 -16.0 104 105 A T S S+ 0 0 118 -30,-1.1 2,-0.4 -2,-0.3 -29,-0.2 0.918 96.4 17.5 -71.5 -47.2 -16.0 -63.1 -18.4 105 106 A R E +c 75 0A 88 -31,-3.1 -29,-2.5 2,-0.0 2,-0.4 -0.991 68.6 166.0-131.5 130.1 -16.4 -59.3 -18.4 106 107 A L E +c 76 0A 33 -2,-0.4 2,-0.3 -31,-0.2 -29,-0.2 -0.981 5.6 179.4-130.3 143.5 -14.1 -56.6 -17.3 107 108 A T E -c 77 0A 29 -31,-1.8 -29,-2.0 -2,-0.4 2,-0.4 -0.985 11.6-155.9-134.1 163.2 -14.1 -52.9 -17.9 108 109 A L E -c 78 0A 33 -2,-0.3 2,-0.3 -31,-0.2 -29,-0.2 -0.991 8.7-149.2-139.8 118.9 -11.8 -50.1 -16.8 109 110 A G E -c 79 0A 1 -31,-2.6 -29,-1.3 -2,-0.4 142,-0.2 -0.689 26.5-116.8 -89.2 143.7 -12.8 -46.5 -16.5 110 111 A V - 0 0 53 -2,-0.3 4,-0.1 140,-0.3 140,-0.1 -0.286 27.8 -87.8 -88.5 162.4 -10.1 -43.8 -17.1 111 112 A P - 0 0 0 0, 0.0 -28,-0.2 0, 0.0 3,-0.2 -0.024 49.1 -95.3 -57.8 168.4 -8.4 -41.0 -14.9 112 113 A L S S+ 0 0 0 -30,-2.7 2,-1.1 1,-0.2 3,-0.2 0.911 117.1 50.4 -54.7 -49.9 -9.9 -37.5 -14.6 113 114 A L S S+ 0 0 4 -30,-2.6 -28,-0.5 1,-0.1 -1,-0.2 -0.709 76.0 111.6 -98.6 85.5 -7.9 -36.0 -17.3 114 115 A S + 0 0 40 -2,-1.1 -1,-0.1 1,-0.2 2,-0.1 0.727 66.1 33.0-115.7 -71.4 -8.2 -38.2 -20.4 115 116 A S S > S- 0 0 58 -3,-0.2 4,-1.0 1,-0.1 3,-0.3 -0.373 83.3-103.8 -91.7 169.4 -10.1 -36.8 -23.3 116 117 A H H >> S+ 0 0 132 1,-0.2 4,-1.2 2,-0.2 3,-0.9 0.928 122.6 53.1 -53.9 -46.0 -10.5 -33.3 -24.6 117 118 A N H 3> S+ 0 0 94 1,-0.2 4,-3.3 2,-0.2 5,-0.2 0.847 99.2 63.6 -60.4 -32.1 -14.0 -33.1 -23.0 118 119 A D H 3> S+ 0 0 11 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.854 101.7 50.1 -55.4 -39.8 -12.6 -34.1 -19.6 119 120 A Y H < S+ 0 0 5 -4,-2.6 3,-1.0 1,-0.2 117,-0.2 0.894 108.7 52.8 -64.2 -40.6 -16.2 -28.8 -11.9 126 127 A L H >X S+ 0 0 0 -4,-3.2 3,-2.3 1,-0.2 4,-0.5 0.861 95.9 69.2 -64.1 -33.7 -13.3 -26.7 -10.4 127 128 A R H >< S+ 0 0 138 -4,-1.8 3,-1.0 1,-0.3 -1,-0.2 0.852 91.9 62.6 -52.5 -29.8 -15.4 -23.6 -10.7 128 129 A Q T << S+ 0 0 143 -3,-1.0 -1,-0.3 -4,-0.7 -2,-0.2 0.465 105.0 43.1 -81.1 -2.5 -17.7 -25.1 -7.9 129 130 A Q T <4 S+ 0 0 45 -3,-2.3 -1,-0.3 -4,-0.1 -2,-0.2 0.335 98.8 93.9-114.5 7.3 -14.9 -25.1 -5.3 130 131 A M S << S- 0 0 26 -3,-1.0 3,-0.0 -4,-0.5 2,-0.0 -0.687 70.8-127.0 -96.7 150.9 -13.6 -21.6 -6.2 131 132 A P - 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0 0 6 -3,-2.1 4,-2.0 1,-0.1 3,-1.1 -0.852 69.6-152.4 -98.2 113.9 -15.9 -31.7 -4.7 241 242 A P H 3> S+ 0 0 85 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.811 95.5 58.1 -60.3 -29.0 -19.2 -33.4 -5.8 242 243 A A H 3> S+ 0 0 20 -117,-0.2 4,-1.1 2,-0.2 -117,-0.1 0.809 106.4 49.1 -73.1 -28.5 -18.7 -32.2 -9.4 243 244 A I H X> S+ 0 0 0 -3,-1.1 4,-1.9 -6,-0.3 3,-0.6 0.939 109.0 51.6 -67.9 -50.4 -15.4 -34.1 -9.5 244 245 A R H 3X S+ 0 0 45 -4,-2.0 4,-1.9 -7,-0.3 -2,-0.2 0.894 106.5 56.2 -47.5 -38.0 -17.0 -37.2 -8.0 245 246 A A H 3X S+ 0 0 57 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.824 103.8 52.6 -71.5 -34.3 -19.6 -36.9 -10.9 246 247 A M H