==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 21-JUL-06 2HS3 . COMPND 2 MOLECULE: PHOSPHORIBOSYLFORMYLGLYCINAMIDINE SYNTHASE II; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR S.E.EALICK,M.MORAR . 602 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23229.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 445 73.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 4.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 113 18.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 2 0.3 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 . 57 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 55 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 154 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 2.0 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 3 3 2 0 1 0 2 1 1 2 0 0 1 1 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 0 1 0 1 1 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 . 1 1 2 3 1 5 1 0 3 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 . 1 0 0 1 1 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 2 A K > 0 0 150 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -56.5 29.1 -1.2 89.8 2 3 A L H > + 0 0 122 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.937 360.0 48.7 -62.8 -48.4 26.6 -3.7 88.4 3 4 A R H > S+ 0 0 129 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.890 116.7 45.7 -58.1 -37.8 23.7 -2.1 90.1 4 5 A Y H > S+ 0 0 27 2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.886 107.0 56.0 -72.7 -41.3 25.0 1.1 88.6 5 6 A L H X S+ 0 0 51 -4,-3.5 4,-1.9 1,-0.2 -2,-0.2 0.905 107.4 51.4 -58.6 -40.0 25.6 -0.3 85.2 6 7 A N H X S+ 0 0 86 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.804 107.5 51.2 -68.8 -30.4 21.9 -1.4 85.1 7 8 A I H X S+ 0 0 31 -4,-1.0 4,-3.0 -3,-0.3 5,-0.2 0.936 107.4 52.4 -71.0 -45.1 20.7 2.1 86.0 8 9 A L H X S+ 0 0 4 -4,-2.2 4,-3.6 1,-0.2 5,-0.3 0.937 110.6 49.4 -52.8 -47.2 22.8 3.8 83.3 9 10 A K H X>S+ 0 0 63 -4,-1.9 4,-2.5 2,-0.2 5,-0.9 0.904 110.4 50.3 -59.6 -41.8 21.2 1.2 80.9 10 11 A E H ><5S+ 0 0 135 -4,-2.0 3,-0.7 2,-0.2 -2,-0.2 0.996 115.9 42.1 -54.5 -67.5 17.7 2.2 82.3 11 12 A K H 3<5S+ 0 0 137 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.809 119.3 43.0 -46.6 -45.5 18.5 5.9 81.8 12 13 A L H 3<5S- 0 0 30 -4,-3.6 -1,-0.3 2,-0.3 -2,-0.2 0.768 98.1-135.1 -77.8 -26.8 20.1 5.4 78.3 13 14 A G T <<5S+ 0 0 68 -4,-2.5 2,-0.3 -3,-0.7 -3,-0.2 0.737 81.7 40.6 77.0 23.4 17.5 3.0 77.1 14 15 A R S - 0 0 66 1,-0.1 4,-1.8 -2,-0.0 5,-0.2 -0.368 38.8 -94.0 -86.6 175.5 29.0 2.6 74.2 18 19 A F H > S+ 0 0 120 1,-0.2 4,-1.8 2,-0.2 3,-0.4 0.957 126.9 49.3 -55.6 -51.3 32.7 2.1 75.0 19 20 A V H > S+ 0 0 23 1,-0.2 4,-2.6 2,-0.2 3,-0.3 0.910 109.8 48.8 -52.8 -52.6 33.1 5.9 75.6 20 21 A E H > S+ 0 0 5 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.801 109.2 54.9 -60.7 -30.6 30.1 6.2 77.9 21 22 A L H X S+ 0 0 66 -4,-1.8 4,-1.4 -3,-0.4 -1,-0.2 0.869 110.0 44.6 -71.7 -37.8 31.2 3.2 79.9 22 23 A Q H X S+ 0 0 19 -4,-1.8 4,-1.2 -3,-0.3 -2,-0.2 0.918 115.2 51.5 -69.1 -43.1 34.6 4.8 80.6 23 24 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 3,-0.5 0.950 114.4 38.0 -57.6 -59.1 32.9 8.1 81.3 24 25 A F H X S+ 0 0 7 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.771 108.1 63.2 -69.1 -26.2 30.4 6.8 83.9 25 26 A S H < S+ 0 0 18 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.866 114.1 38.3 -63.1 -32.7 32.9 4.4 85.4 26 27 A V H >< S+ 0 0 0 -4,-1.2 3,-1.5 -3,-0.5 6,-0.5 0.975 122.4 37.1 -78.5 -65.4 34.7 7.6 86.3 27 28 A M H 3< S+ 0 0 3 -4,-2.7 312,-0.3 1,-0.3 -3,-0.2 0.773 121.5 46.5 -60.2 -30.2 31.9 10.1 87.2 28 29 A W T 3< S+ 0 0 12 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.1 0.324 85.6 113.2 -97.3 6.9 29.8 7.4 88.9 29 30 A S S <>>S- 0 0 11 -3,-1.5 4,-3.7 1,-0.1 5,-0.5 -0.455 85.2-109.8 -73.0 152.2 32.8 6.0 90.9 30 31 A E H >5S+ 0 0 15 1,-0.2 4,-2.4 3,-0.2 7,-0.1 0.910 119.2 59.1 -49.5 -44.4 32.5 6.5 94.6 31 32 A H H 45S+ 0 0 56 158,-0.4 -1,-0.2 1,-0.2 447,-0.2 0.897 119.6 24.1 -50.2 -51.6 35.3 9.0 94.3 32 33 A C H 45S+ 0 0 22 -6,-0.5 -2,-0.2 -3,-0.5 -1,-0.2 0.848 130.1 40.4 -86.3 -39.6 33.5 11.3 91.8 33 34 A G H <5S- 0 0 5 -4,-3.7 -3,-0.2 -7,-0.3 -2,-0.2 0.669 79.8-151.1 -87.8 -19.4 29.9 10.5 92.6 34 35 A Y X< + 0 0 47 -4,-2.4 4,-2.3 -5,-0.5 3,-0.4 0.824 29.4 166.8 51.7 35.8 29.9 10.3 96.4 35 36 A S T 4 S+ 0 0 0 1,-0.2 307,-2.0 2,-0.2 4,-0.3 0.862 73.0 38.7 -47.1 -47.9 26.9 7.8 96.2 36 37 A H T 4 S+ 0 0 16 1,-0.2 4,-0.3 305,-0.2 -1,-0.2 0.748 123.0 39.3 -79.5 -24.0 27.3 6.7 99.8 37 38 A T T > S+ 0 0 0 -3,-0.4 4,-2.6 -7,-0.1 5,-0.2 0.606 85.6 90.8-104.9 -11.5 28.1 10.1 101.4 38 39 A K H X S+ 0 0 54 -4,-2.3 4,-1.6 1,-0.2 -1,-0.1 0.889 92.8 42.6 -52.1 -48.3 26.0 12.6 99.6 39 40 A K H > S+ 0 0 73 -4,-0.3 4,-1.1 303,-0.2 -1,-0.2 0.889 114.5 49.5 -69.0 -39.4 23.0 12.5 102.0 40 41 A Y H 4 S+ 0 0 11 -4,-0.3 4,-0.4 1,-0.2 3,-0.3 0.888 109.3 54.8 -64.2 -38.9 25.2 12.5 105.1 41 42 A I H >< S+ 0 0 52 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.885 101.6 56.9 -62.3 -40.2 27.1 15.4 103.7 42 43 A R H 3< S+ 0 0 133 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.836 101.3 56.7 -62.1 -33.5 23.9 17.5 103.3 43 44 A R T 3< S+ 0 0 96 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.596 85.8 106.1 -74.5 -10.2 23.0 17.1 107.0 44 45 A L S < S- 0 0 8 -3,-1.3 2,-0.3 -4,-0.4 419,-0.1 -0.503 80.9-117.2 -72.8 132.5 26.3 18.7 107.9 45 46 A P - 0 0 40 0, 0.0 428,-2.9 0, 0.0 2,-0.3 -0.563 48.2-167.4 -68.9 126.4 26.2 22.3 109.2 46 47 A K B -a 473 0A 91 -2,-0.3 428,-0.2 426,-0.3 3,-0.2 -0.836 48.6-133.2-126.9 161.3 28.2 24.2 106.6 47 48 A T S > S+ 0 0 23 426,-2.6 3,-0.5 -2,-0.3 427,-0.1 0.201 78.0 125.7 -82.5 13.2 29.9 27.4 105.8 48 49 A G T 3 + 0 0 31 425,-0.4 -1,-0.2 1,-0.2 426,-0.0 0.884 51.5 55.2 -35.9 -92.9 27.9 26.7 102.7 49 50 A F T 3 S+ 0 0 217 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.675 81.5 103.5 -14.7 -52.7 25.7 29.7 101.9 50 51 A E S < S- 0 0 76 -3,-0.5 5,-0.2 1,-0.1 -3,-0.0 -0.173 94.7-116.5 -41.2 99.9 28.9 31.7 102.0 51 52 A G S S+ 0 0 67 -2,-0.1 2,-0.5 1,-0.1 -1,-0.1 0.596 96.2 49.8 -7.2 -66.1 29.1 31.9 98.2 52 53 A N S > S- 0 0 24 3,-0.1 3,-1.5 112,-0.1 -1,-0.1 -0.760 81.9-130.2-100.1 125.6 32.3 30.0 98.0 53 54 A A T 3 S+ 0 0 66 -2,-0.5 422,-0.2 1,-0.2 3,-0.1 -0.364 94.0 19.6 -66.4 140.8 33.0 26.6 99.6 54 55 A G T 3 S+ 0 0 0 420,-2.1 12,-2.5 1,-0.2 2,-0.5 0.474 99.3 116.5 78.7 1.7 36.2 26.3 101.6 55 56 A V E < -F 65 0B 1 -3,-1.5 2,-0.5 419,-0.3 10,-0.2 -0.912 41.2-177.9-109.1 123.8 36.4 30.1 101.8 56 57 A V E -F 64 0B 18 8,-2.7 8,-3.1 -2,-0.5 382,-0.1 -0.966 27.5-123.9-128.4 117.7 36.1 31.7 105.2 57 58 A N E -F 63 0B 57 -2,-0.5 6,-0.3 6,-0.3 101,-0.1 -0.330 26.4-178.1 -57.2 130.4 36.2 35.5 105.8 58 59 A L S S- 0 0 6 4,-2.9 5,-0.2 -2,-0.0 -1,-0.2 0.859 76.5 -9.9 -98.8 -48.8 38.9 36.4 108.2 59 60 A D S S- 0 0 49 3,-1.8 4,-0.1 338,-0.0 -2,-0.1 0.016 96.4 -94.5-144.7 31.3 38.6 40.2 108.6 60 61 A D S S+ 0 0 135 2,-0.4 3,-0.1 1,-0.2 -3,-0.1 0.254 125.1 52.1 73.0 -15.6 36.0 41.4 106.0 61 62 A Y S S+ 0 0 100 1,-0.3 98,-2.2 98,-0.1 99,-0.4 0.682 111.8 37.9-114.3 -40.7 38.9 42.2 103.7 62 63 A Y E - G 0 158B 73 96,-0.2 -4,-2.9 97,-0.1 -3,-1.8 -0.877 65.1-168.7-115.4 147.3 40.8 39.0 103.6 63 64 A S E -FG 57 157B 1 94,-2.9 94,-2.5 -2,-0.3 2,-0.5 -0.864 19.9-126.7-127.9 162.1 39.5 35.4 103.6 64 65 A V E -FG 56 156B 0 -8,-3.1 -8,-2.7 -2,-0.3 2,-0.5 -0.960 17.4-162.2-113.7 125.6 41.2 32.1 104.1 65 66 A A E +FG 55 155B 0 90,-3.2 90,-2.8 -2,-0.5 2,-0.3 -0.931 26.0 156.1-105.2 127.1 40.6 29.4 101.5 66 67 A F E + G 0 154B 0 -12,-2.5 2,-0.3 -2,-0.5 88,-0.2 -0.997 15.0 166.9-152.7 154.5 41.4 25.9 102.7 67 68 A K E - G 0 153B 39 86,-2.1 86,-2.5 -2,-0.3 2,-0.4 -0.961 23.3-137.2-166.1 146.8 40.6 22.3 102.1 68 69 A I E + G 0 152B 0 -2,-0.3 84,-0.3 84,-0.3 2,-0.3 -0.911 27.1 171.4-111.9 141.1 41.9 18.8 102.9 69 70 A E E - G 0 151B 30 82,-2.2 82,-2.5 -2,-0.4 2,-0.3 -0.810 17.5-137.1-136.9 175.7 42.1 16.0 100.4 70 71 A S E - G 0 150B 11 80,-0.3 80,-0.2 -2,-0.3 408,-0.1 -0.900 19.0-173.9-136.2 165.2 43.6 12.5 100.2 71 72 A H > + 0 0 32 78,-1.3 4,-1.3 -2,-0.3 15,-0.1 -0.346 37.4 140.8-152.5 53.5 45.5 10.3 97.8 72 73 A N H > + 0 0 4 2,-0.2 4,-1.2 3,-0.1 10,-0.1 0.967 67.3 48.1 -66.7 -57.2 45.4 7.0 99.8 73 74 A H H >> S+ 0 0 6 1,-0.2 4,-1.1 2,-0.2 3,-0.9 0.945 116.0 40.9 -49.4 -54.9 44.9 4.6 96.8 74 75 A P H 3> S+ 0 0 13 0, 0.0 4,-3.3 0, 0.0 8,-0.4 0.850 110.4 59.0 -66.4 -35.4 47.6 5.8 94.6 75 76 A S H 3< S+ 0 0 1 -4,-1.3 -2,-0.2 7,-0.3 -3,-0.1 0.750 103.1 53.7 -66.1 -23.4 50.0 6.3 97.5 76 77 A A H << S+ 0 0 35 -4,-1.2 -1,-0.2 -3,-0.9 -3,-0.1 0.851 115.9 38.6 -77.9 -33.4 49.7 2.6 98.3 77 78 A I H < S+ 0 0 55 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.878 138.8 9.3 -82.0 -44.8 50.6 1.7 94.8 78 79 A E X - 0 0 47 -4,-3.3 4,-2.9 -5,-0.1 5,-0.4 -0.732 66.1-169.0-142.6 90.2 53.3 4.3 94.2 79 80 A P H > S+ 0 0 40 0, 0.0 4,-2.0 0, 0.0 5,-0.3 0.851 84.7 46.7 -43.7 -50.3 54.2 6.3 97.3 80 81 A Y H > S+ 0 0 87 2,-0.2 4,-2.4 3,-0.2 5,-0.2 0.970 120.1 32.6 -64.7 -58.4 56.2 9.0 95.4 81 82 A N H > S+ 0 0 41 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.901 120.7 51.0 -68.6 -39.9 53.9 9.9 92.6 82 83 A G H X S+ 0 0 0 -4,-2.9 4,-0.6 -8,-0.4 -7,-0.3 0.906 115.5 41.0 -64.2 -42.6 50.7 9.3 94.6 83 84 A A H X S+ 0 0 0 -4,-2.0 4,-1.6 -5,-0.4 3,-0.2 0.933 116.0 50.5 -71.5 -43.7 51.8 11.4 97.5 84 85 A A H >X S+ 0 0 9 -4,-2.4 4,-2.0 -5,-0.3 3,-0.5 0.946 113.8 42.8 -57.4 -54.0 53.3 14.2 95.3 85 86 A T H 3X S+ 0 0 0 -4,-2.6 4,-2.2 1,-0.2 -1,-0.3 0.639 104.1 68.9 -69.3 -14.1 50.2 14.5 93.1 86 87 A G H 3X S+ 0 0 3 -4,-0.6 4,-1.8 -3,-0.2 -1,-0.2 0.944 107.0 37.5 -67.1 -45.7 48.2 14.3 96.3 87 88 A V H S+ 0 0 0 -4,-1.6 5,-1.5 1,-0.2 -1,-0.2 0.784 113.0 54.1 -68.7 -27.9 42.7 26.3 96.8 95 96 A L H ><5S+ 0 0 0 -4,-1.5 3,-2.4 1,-0.2 -1,-0.2 0.904 102.8 55.7 -71.9 -41.7 44.0 28.1 93.7 96 97 A A T 3<5S+ 0 0 10 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.658 98.9 63.5 -64.7 -15.8 40.6 27.6 91.9 97 98 A M T 3 5S- 0 0 25 -4,-0.5 66,-1.1 2,-0.2 -1,-0.3 0.569 124.2-108.1 -83.2 -8.9 39.1 29.3 94.9 98 99 A G T < 5S+ 0 0 7 -3,-2.4 2,-0.3 1,-0.3 60,-0.2 0.314 78.3 129.6 99.3 -5.1 41.1 32.4 93.8 99 100 A A < - 0 0 0 -5,-1.5 -1,-0.3 58,-0.1 58,-0.2 -0.624 63.8-120.3 -91.7 141.0 43.6 32.1 96.7 100 101 A R E -H 156 0B 132 56,-1.3 56,-0.9 -2,-0.3 -35,-0.1 -0.619 42.3-111.6 -71.9 117.3 47.4 32.2 96.5 101 102 A P E +H 155 0B 13 0, 0.0 54,-0.3 0, 0.0 -1,-0.1 -0.319 51.1 160.4 -54.2 128.0 48.5 28.9 98.0 102 103 A T E + 0 0 34 52,-3.1 2,-0.3 1,-0.3 53,-0.2 0.703 49.6 23.6-122.8 -32.0 50.2 29.7 101.3 103 104 A A E -H 154 0B 0 51,-2.1 51,-2.2 27,-0.1 2,-0.4 -0.980 47.9-160.9-143.4 154.1 50.3 26.6 103.6 104 105 A I E -Hi 153 132B 0 27,-1.4 29,-1.7 -2,-0.3 30,-0.9 -0.999 5.8-176.3-135.3 129.1 50.2 22.8 103.6 105 106 A F E -Hi 152 134B 11 47,-2.5 47,-2.8 -2,-0.4 2,-0.3 -0.977 16.2-156.8-127.6 112.2 49.4 20.7 106.6 106 107 A D E -Hi 151 135B 2 28,-1.4 30,-3.3 -2,-0.5 2,-0.5 -0.669 10.0-160.5 -95.3 148.3 49.7 17.0 106.0 107 108 A S E -Hi 150 136B 0 43,-3.6 43,-2.6 -2,-0.3 2,-0.4 -0.933 18.3-175.5-127.6 103.9 48.0 14.2 107.9 108 109 A L E -Hi 149 137B 8 28,-3.3 30,-2.9 -2,-0.5 2,-0.4 -0.841 14.9-177.8-110.1 141.2 49.8 10.8 107.4 109 110 A H E +Hi 148 138B 0 39,-2.2 39,-3.0 -2,-0.4 2,-0.3 -0.897 25.6 144.6-137.3 102.9 48.7 7.4 108.7 110 111 A M E - i 0 139B 2 28,-2.1 30,-2.0 -2,-0.4 34,-0.2 -0.874 60.1-116.1-137.8 167.7 51.1 4.5 107.9 111 112 A S S S- 0 0 42 32,-0.4 2,-0.3 -2,-0.3 28,-0.1 0.445 102.3 -14.0 -82.5 -0.5 52.5 1.3 109.3 112 113 A R S S- 0 0 132 26,-0.2 2,-1.0 28,-0.1 -1,-0.2 -0.926 97.5 -63.2 177.4 169.0 55.9 3.0 109.2 113 114 A I - 0 0 55 -2,-0.3 2,-0.9 -3,-0.1 3,-0.1 -0.607 50.7-155.5 -73.3 105.1 57.6 6.0 107.7 114 115 A I >> - 0 0 23 -2,-1.0 4,-1.7 1,-0.2 3,-1.1 -0.762 2.3-153.4 -86.6 107.5 57.3 5.3 104.0 115 116 A D H 3> S+ 0 0 85 -2,-0.9 4,-3.0 1,-0.3 3,-0.4 0.909 90.3 56.1 -43.2 -60.2 60.1 7.3 102.5 116 117 A G H 3> S+ 0 0 20 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.783 108.4 48.4 -46.4 -36.0 58.4 7.7 99.1 117 118 A I H <> S+ 0 0 0 -3,-1.1 4,-1.1 2,-0.2 -1,-0.2 0.897 114.2 44.1 -74.2 -41.5 55.4 9.3 100.7 118 119 A I H X S+ 0 0 7 -4,-1.7 4,-1.8 -3,-0.4 -2,-0.2 0.858 117.7 46.3 -72.4 -33.2 57.3 11.8 102.8 119 120 A E H X S+ 0 0 62 -4,-3.0 4,-2.4 -5,-0.2 5,-0.3 0.806 106.4 56.1 -80.0 -31.0 59.6 12.6 99.8 120 121 A G H X S+ 0 0 0 -4,-1.6 4,-1.3 -5,-0.3 -1,-0.2 0.847 112.5 45.3 -68.3 -30.5 56.9 13.0 97.2 121 122 A I H X S+ 0 0 1 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.917 114.4 45.8 -77.2 -44.4 55.4 15.6 99.6 122 123 A A H X S+ 0 0 0 -4,-1.8 4,-2.7 2,-0.2 5,-0.2 0.921 114.4 47.0 -64.8 -48.6 58.6 17.4 100.3 123 124 A D H X S+ 0 0 45 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.952 115.9 43.4 -60.5 -52.5 59.9 17.6 96.7 124 125 A Y H X S+ 0 0 6 -4,-1.3 4,-1.2 -5,-0.3 -1,-0.2 0.879 115.6 50.0 -63.3 -37.1 56.6 18.8 95.3 125 126 A G H <>S+ 0 0 1 -4,-2.0 5,-1.8 2,-0.2 4,-0.4 0.908 112.5 47.0 -67.4 -40.7 56.1 21.2 98.1 126 127 A N H ><5S+ 0 0 60 -4,-2.7 3,-0.9 1,-0.2 -2,-0.2 0.898 109.9 52.0 -68.2 -40.9 59.6 22.6 97.7 127 128 A S H 3<5S+ 0 0 35 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.758 111.5 46.6 -69.3 -24.1 59.4 23.0 93.9 128 129 A I T 3<5S- 0 0 12 -4,-1.2 -1,-0.2 -5,-0.2 -2,-0.2 0.440 107.2-126.6 -95.8 0.5 56.1 25.0 94.2 129 130 A G T < 5 + 0 0 59 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.864 64.2 134.0 58.6 39.0 57.5 27.2 96.9 130 131 A V < - 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