==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAY-05 1ZUN . COMPND 2 MOLECULE: SULFATE ADENYLYLTRANSFERASE SUBUNIT 2; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SYRINGAE; . AUTHOR J.D.MOUGOUS,D.H.LEE,S.C.HUBBARD,M.W.SCHELLE,D.J.VOCADLO, . 598 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 401 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 7.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 97 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 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 . 63 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 20.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 1 1 0 2 0 0 3 2 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 0 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 PARALLEL BRIDGES PER LADDER . 3 1 6 4 1 2 0 1 1 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 2 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 -6 A L 0 0 204 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 134.7 1.5 86.5 48.6 2 -5 A V - 0 0 135 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.664 360.0-122.9 -81.2 131.1 2.0 86.1 52.4 3 -4 A P - 0 0 74 0, 0.0 408,-0.1 0, 0.0 409,-0.1 -0.263 31.2 -90.9 -72.0 160.9 5.0 84.0 53.4 4 -3 A R - 0 0 72 406,-0.4 2,-0.2 407,-0.2 406,-0.2 -0.344 41.4-137.4 -71.0 150.8 4.9 80.8 55.5 5 -2 A G > - 0 0 16 -2,-0.1 3,-1.3 1,-0.1 4,-0.3 -0.662 21.1-113.1-110.5 165.9 5.3 81.0 59.3 6 -1 A S G > S+ 0 0 57 1,-0.3 3,-0.9 -2,-0.2 -1,-0.1 0.738 107.2 77.7 -67.4 -24.1 7.1 79.0 61.9 7 0 A H G 3 S+ 0 0 156 1,-0.2 -1,-0.3 3,-0.1 3,-0.0 0.442 87.7 62.5 -64.3 -0.8 3.8 77.9 63.4 8 1 A X G < S+ 0 0 87 -3,-1.3 2,-0.3 1,-0.1 -1,-0.2 0.779 100.3 50.2 -96.3 -34.6 3.6 75.4 60.5 9 2 A V S < S- 0 0 18 -3,-0.9 2,-0.4 -4,-0.3 -1,-0.1 -0.818 92.2-105.0-107.8 146.1 6.7 73.3 61.3 10 3 A D - 0 0 103 -2,-0.3 460,-0.2 1,-0.1 3,-0.1 -0.580 48.1-112.9 -67.6 123.0 7.6 71.7 64.6 11 4 A K - 0 0 139 -2,-0.4 2,-0.5 1,-0.1 -1,-0.1 -0.220 34.1 -94.2 -65.5 148.0 10.4 73.8 66.0 12 5 A L - 0 0 41 459,-0.2 203,-0.3 4,-0.1 -1,-0.1 -0.483 36.8-155.6 -70.8 114.0 13.9 72.3 66.3 13 6 A T > - 0 0 28 -2,-0.5 4,-2.5 201,-0.1 201,-0.2 -0.410 35.2 -98.5 -77.1 164.5 14.7 70.8 69.7 14 7 A H H > S+ 0 0 1 199,-3.3 4,-2.5 1,-0.2 5,-0.2 0.863 122.3 46.5 -58.2 -42.0 18.3 70.5 70.8 15 8 A L H > S+ 0 0 9 196,-0.3 4,-2.6 198,-0.2 -1,-0.2 0.859 112.9 49.0 -69.7 -37.6 18.8 66.9 69.8 16 9 A K H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.887 113.2 48.3 -66.9 -38.3 17.1 67.3 66.4 17 10 A Q H X S+ 0 0 43 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.917 113.8 45.6 -67.9 -45.3 19.4 70.4 65.9 18 11 A L H X S+ 0 0 1 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.895 111.8 53.8 -60.7 -44.1 22.5 68.4 66.9 19 12 A E H X S+ 0 0 24 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.945 111.5 43.9 -54.5 -53.2 21.3 65.5 64.7 20 13 A A H X S+ 0 0 8 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.885 112.7 52.3 -61.2 -41.2 21.0 67.8 61.7 21 14 A E H X S+ 0 0 28 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.880 112.4 44.8 -65.5 -39.2 24.3 69.5 62.4 22 15 A S H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.860 111.5 53.0 -72.7 -38.0 26.2 66.2 62.6 23 16 A I H X S+ 0 0 6 -4,-2.3 4,-2.5 -5,-0.2 -2,-0.2 0.930 107.9 52.2 -59.7 -46.7 24.5 64.8 59.5 24 17 A H H X S+ 0 0 28 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.913 108.9 49.7 -55.0 -47.8 25.6 67.9 57.6 25 18 A I H X S+ 0 0 7 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.916 110.6 49.4 -58.4 -47.2 29.2 67.4 58.7 26 19 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.925 110.8 50.4 -60.0 -45.8 29.2 63.7 57.7 27 20 A R H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.891 107.5 54.1 -59.2 -43.9 27.7 64.7 54.2 28 21 A E H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 5,-0.2 0.926 109.8 46.0 -55.9 -51.0 30.4 67.4 53.7 29 22 A V H >X S+ 0 0 0 -4,-2.0 4,-3.3 1,-0.2 3,-0.6 0.955 114.0 48.5 -59.0 -50.1 33.3 64.9 54.3 30 23 A A H 3< S+ 0 0 19 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.877 113.0 50.2 -55.5 -38.7 31.6 62.3 52.0 31 24 A A H 3< S+ 0 0 35 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.774 122.6 29.0 -70.3 -28.5 31.2 65.1 49.4 32 25 A E H << S+ 0 0 54 -4,-1.7 2,-0.3 -3,-0.6 -2,-0.2 0.699 107.9 69.7-110.1 -25.1 34.8 66.3 49.5 33 26 A F < - 0 0 10 -4,-3.3 90,-0.0 -5,-0.2 134,-0.0 -0.780 59.1-151.5-106.7 144.7 36.9 63.3 50.5 34 27 A D S S+ 0 0 139 -2,-0.3 -1,-0.1 1,-0.2 87,-0.1 0.932 87.4 24.5 -76.9 -51.0 37.7 60.2 48.4 35 28 A N S S+ 0 0 80 85,-0.2 87,-1.3 29,-0.1 88,-1.2 -0.697 74.4 167.8-123.7 78.9 38.3 57.5 51.0 36 29 A P E -a 123 0A 10 0, 0.0 2,-0.3 0, 0.0 88,-0.2 -0.466 13.8-161.8 -80.9 160.3 36.6 58.2 54.4 37 30 A V E -a 124 0A 0 86,-1.3 88,-3.6 27,-0.2 2,-0.9 -0.994 18.2-135.8-136.5 143.8 36.2 55.8 57.2 38 31 A X E -ab 125 66A 0 27,-2.0 29,-2.7 -2,-0.3 2,-0.9 -0.872 22.2-143.2 -93.2 105.8 33.9 55.7 60.2 39 32 A L E - b 0 67A 32 86,-1.8 2,-0.6 -2,-0.9 88,-0.3 -0.612 24.5-169.3 -66.4 104.9 36.1 54.7 63.1 40 33 A Y - 0 0 7 27,-3.3 29,-0.1 -2,-0.9 86,-0.0 -0.918 12.2-174.3-108.1 117.0 33.7 52.5 65.1 41 34 A S - 0 0 65 -2,-0.6 -1,-0.1 27,-0.1 29,-0.0 0.503 41.1-111.7 -65.9-139.1 34.5 51.4 68.6 42 35 A I S S+ 0 0 6 163,-0.1 157,-0.3 26,-0.0 2,-0.1 0.039 86.4 101.7-134.6 15.3 32.0 49.0 70.1 43 36 A G S > S- 0 0 14 162,-0.1 4,-1.0 155,-0.1 -2,-0.1 -0.144 86.0 -90.6 -98.6-172.0 31.0 51.7 72.6 44 37 A K H > S+ 0 0 18 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.820 115.1 48.2 -77.0 -37.3 28.2 54.2 73.1 45 38 A D H > S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 3,-0.3 0.908 111.5 50.9 -71.0 -40.6 29.4 57.4 71.3 46 39 A S H > S+ 0 0 6 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.770 105.8 58.0 -66.8 -26.6 30.4 55.4 68.1 47 40 A A H X S+ 0 0 7 -4,-1.0 4,-1.4 2,-0.2 -1,-0.2 0.837 107.3 46.6 -69.5 -36.5 26.9 53.9 68.2 48 41 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.3 -2,-0.2 0.892 112.6 50.1 -70.5 -41.3 25.4 57.3 68.0 49 42 A X H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.897 109.9 49.8 -64.9 -42.1 27.7 58.4 65.2 50 43 A L H X S+ 0 0 5 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.863 109.7 51.6 -64.6 -37.4 26.9 55.2 63.2 51 44 A H H X S+ 0 0 34 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.882 110.4 49.3 -64.4 -39.8 23.2 55.9 63.6 52 45 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.885 106.8 55.6 -64.1 -40.9 23.8 59.5 62.4 53 46 A A H X S+ 0 0 0 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.871 107.1 49.6 -61.1 -39.4 25.8 58.1 59.4 54 47 A R H >X S+ 0 0 54 -4,-1.7 4,-1.3 1,-0.2 3,-1.1 0.944 111.2 48.6 -63.3 -48.4 22.8 56.0 58.4 55 48 A K H 3< S+ 0 0 11 -4,-1.9 407,-0.2 1,-0.2 -2,-0.2 0.814 105.7 61.1 -59.3 -33.0 20.4 59.0 58.7 56 49 A A H 3< S+ 0 0 1 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.738 116.1 27.8 -66.4 -26.0 22.9 61.0 56.6 57 50 A F H X< S+ 0 0 2 -3,-1.1 3,-3.1 -4,-0.7 -2,-0.2 0.455 88.3 172.8-123.3 -3.3 22.6 58.7 53.5 58 51 A F T 3< + 0 0 77 -4,-1.3 3,-0.1 1,-0.4 404,-0.1 -0.198 69.2 25.0 -48.7 139.4 19.1 57.1 53.6 59 52 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.886 121.2 68.9 -89.4 23.9 17.9 55.4 51.5 60 53 A G S < S- 0 0 12 -3,-3.1 -3,-0.2 -6,-0.1 2,-0.1 -0.532 82.4-114.0 -91.2 163.5 21.5 54.7 50.5 61 54 A K - 0 0 132 -2,-0.2 -1,-0.1 1,-0.1 29,-0.0 -0.340 54.9 -67.3 -80.7 173.6 24.0 52.6 52.4 62 55 A L - 0 0 22 1,-0.2 -1,-0.1 -2,-0.1 -8,-0.1 -0.514 38.4-149.4 -62.0 125.1 27.2 54.2 53.9 63 56 A P S S+ 0 0 69 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.548 82.2 56.6 -72.9 -7.7 29.4 55.3 50.9 64 57 A F S S- 0 0 8 -29,-0.1 28,-0.2 1,-0.0 -27,-0.2 -0.870 89.4-109.8-121.5 154.3 32.4 54.6 53.2 65 58 A P - 0 0 24 0, 0.0 -27,-2.0 0, 0.0 2,-0.4 -0.420 26.4-124.0 -78.7 161.4 33.5 51.5 55.2 66 59 A V E -bc 38 93A 2 26,-2.8 28,-3.0 -29,-0.2 2,-0.4 -0.866 26.4-156.5-104.2 138.9 33.4 51.2 59.0 67 60 A X E -bc 39 94A 2 -29,-2.7 -27,-3.3 -2,-0.4 2,-0.4 -0.916 14.6-168.8-121.1 144.4 36.6 50.3 60.9 68 61 A H E - c 0 95A 19 26,-2.9 28,-1.8 -2,-0.4 2,-1.0 -0.954 16.4-147.4-129.6 114.0 37.4 48.8 64.3 69 62 A V E - c 0 96A 23 -2,-0.4 2,-0.4 26,-0.2 28,-0.2 -0.693 25.9-151.3 -76.4 101.8 41.0 48.9 65.6 70 63 A D - 0 0 23 26,-2.1 28,-0.2 -2,-1.0 -2,-0.0 -0.651 11.7-165.8 -85.7 130.1 41.1 45.6 67.5 71 64 A T - 0 0 25 -2,-0.4 3,-0.2 26,-0.1 -1,-0.1 0.067 50.0 -75.3 -86.1-158.7 43.4 45.3 70.5 72 65 A R S S- 0 0 76 1,-0.3 2,-0.3 -2,-0.0 -2,-0.0 0.959 107.4 -24.5 -65.3 -50.8 44.4 42.0 72.1 73 66 A W - 0 0 67 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.927 55.7-173.5-166.0 135.1 40.9 41.6 73.8 74 67 A K - 0 0 40 -2,-0.3 5,-0.1 1,-0.2 -4,-0.0 -0.638 59.1 -45.8-113.5-179.2 38.0 43.8 74.9 75 68 A F >> - 0 0 100 -2,-0.2 3,-1.4 1,-0.1 4,-1.2 -0.149 51.0-129.0 -48.2 138.9 34.9 42.7 76.8 76 69 A Q H 3> S+ 0 0 147 1,-0.3 4,-1.6 2,-0.2 5,-0.1 0.806 107.3 60.1 -63.6 -31.9 33.3 39.5 75.4 77 70 A E H 3> S+ 0 0 94 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.607 100.8 57.2 -72.3 -13.1 29.9 41.1 75.2 78 71 A X H <> S+ 0 0 20 -3,-1.4 4,-2.7 2,-0.2 5,-0.2 0.895 104.2 48.5 -82.5 -46.3 31.3 43.7 72.8 79 72 A Y H X S+ 0 0 33 -4,-1.2 4,-2.6 1,-0.2 -2,-0.2 0.914 113.7 47.9 -57.4 -45.5 32.6 41.3 70.2 80 73 A R H X S+ 0 0 185 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.849 112.6 49.0 -66.7 -37.3 29.2 39.5 70.2 81 74 A F H X S+ 0 0 35 -4,-0.9 4,-1.6 2,-0.2 -2,-0.2 0.936 115.0 43.4 -65.3 -49.1 27.3 42.8 69.9 82 75 A R H X S+ 0 0 24 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.856 110.7 55.2 -68.0 -38.1 29.5 44.1 67.0 83 76 A D H X S+ 0 0 84 -4,-2.6 4,-1.4 -5,-0.2 3,-0.3 0.929 111.4 44.0 -59.7 -47.3 29.5 40.7 65.2 84 77 A Q H X S+ 0 0 115 -4,-1.7 4,-2.1 1,-0.2 -1,-0.2 0.826 108.0 61.2 -66.3 -33.0 25.7 40.6 65.1 85 78 A X H < S+ 0 0 29 -4,-1.6 4,-0.3 2,-0.2 6,-0.2 0.844 103.2 49.3 -62.1 -37.8 25.6 44.3 64.2 86 79 A V H >X>S+ 0 0 33 -4,-1.5 5,-1.9 -3,-0.3 3,-0.9 0.930 114.3 43.6 -68.9 -47.2 27.5 43.7 60.9 87 80 A E H 3<5S+ 0 0 165 -4,-1.4 3,-0.2 1,-0.2 -2,-0.2 0.820 112.5 53.4 -67.1 -33.5 25.2 40.8 59.8 88 81 A E T 3<5S+ 0 0 138 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.407 118.7 33.3 -85.6 1.6 22.0 42.7 60.8 89 82 A X T <45S- 0 0 53 -3,-0.9 -1,-0.2 -4,-0.3 -2,-0.2 0.341 101.6-119.3-133.6 2.1 22.8 45.8 58.8 90 83 A G T <5 + 0 0 47 -4,-0.7 -3,-0.2 -3,-0.2 -4,-0.1 0.888 57.9 172.8 54.5 42.2 24.7 44.4 55.7 91 84 A L < - 0 0 29 -5,-1.9 2,-0.8 -6,-0.2 -1,-0.2 -0.397 41.0-128.3 -86.7 157.4 27.7 46.5 56.9 92 85 A D + 0 0 99 -28,-0.2 -26,-2.8 -2,-0.1 2,-0.5 -0.866 35.9 178.6-102.4 95.5 31.2 46.7 55.6 93 86 A L E -c 66 0A 31 -2,-0.8 2,-0.5 -28,-0.2 -26,-0.2 -0.892 14.0-161.4-105.7 126.0 33.4 46.3 58.8 94 87 A I E -c 67 0A 31 -28,-3.0 -26,-2.9 -2,-0.5 2,-0.4 -0.903 6.4-159.1-102.8 127.9 37.2 46.3 58.6 95 88 A T E -c 68 0A 58 -2,-0.5 2,-0.4 -28,-0.2 -26,-0.2 -0.842 7.9-165.6-102.4 144.0 39.0 44.8 61.6 96 89 A H E +c 69 0A 9 -28,-1.8 -26,-2.1 -2,-0.4 2,-0.3 -0.993 18.5 149.7-137.7 132.6 42.7 45.7 62.3 97 90 A I 0 0 95 -2,-0.4 -26,-0.1 -28,-0.2 10,-0.1 -0.942 360.0 360.0-159.1 132.2 45.3 44.2 64.5 98 91 A N 0 0 101 -2,-0.3 9,-0.1 -28,-0.2 -1,-0.1 0.486 360.0 360.0-128.4 360.0 49.1 43.9 64.4 99 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 100 106 A S 0 0 130 0, 0.0 4,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 24.9 47.3 50.6 79.7 101 107 A A > + 0 0 89 3,-0.1 4,-0.7 2,-0.1 0, 0.0 0.947 360.0 21.0 -80.7 -56.2 50.4 52.8 79.1 102 108 A K H > S+ 0 0 164 2,-0.1 4,-2.1 3,-0.1 5,-0.3 0.933 122.5 58.9 -74.7 -50.8 52.3 50.6 76.7 103 109 A H H > S+ 0 0 82 1,-0.2 4,-2.3 2,-0.2 5,-0.4 0.880 107.0 43.7 -47.0 -56.9 49.3 48.5 75.6 104 110 A T H >>S+ 0 0 55 -4,-0.5 5,-1.8 1,-0.2 4,-1.4 0.849 112.5 54.5 -62.1 -37.7 47.1 51.4 74.2 105 111 A D H <>S+ 0 0 89 -4,-0.7 5,-1.7 -3,-0.2 -1,-0.2 0.925 116.1 34.1 -64.1 -48.4 50.1 53.1 72.5 106 112 A I H <5S+ 0 0 80 -4,-2.1 5,-0.3 3,-0.2 -2,-0.2 0.875 127.7 35.6 -77.8 -39.3 51.2 50.1 70.4 107 113 A X H <5S+ 0 0 36 -4,-2.3 -3,-0.2 -5,-0.3 -2,-0.2 0.926 130.0 22.6 -86.4 -49.4 47.7 48.5 69.7 108 114 A K T X5S+ 0 0 112 -4,-1.4 4,-3.3 -5,-0.4 5,-0.3 0.971 127.6 38.6 -81.0 -65.8 45.4 51.5 69.3 109 115 A T H > S+ 0 0 0 -5,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.928 110.5 43.4 -60.1 -49.7 47.2 50.2 64.9 112 118 A L H X S+ 0 0 34 -4,-3.3 4,-1.9 2,-0.2 -1,-0.2 0.890 114.0 52.3 -61.6 -42.6 44.9 53.0 63.8 113 119 A K H X S+ 0 0 56 -4,-1.5 4,-1.0 -5,-0.3 -2,-0.2 0.895 113.1 44.0 -58.5 -44.4 47.9 54.8 62.2 114 120 A Q H X S+ 0 0 87 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.834 109.8 56.3 -72.0 -35.8 48.8 51.6 60.3 115 121 A A H X S+ 0 0 0 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.868 105.2 51.3 -64.6 -39.1 45.2 50.9 59.3 116 122 A L H X>S+ 0 0 8 -4,-1.9 4,-1.4 1,-0.2 5,-1.3 0.827 111.6 47.8 -68.3 -33.5 44.8 54.3 57.6 117 123 A D H <5S+ 0 0 113 -4,-1.0 -2,-0.2 2,-0.2 -1,-0.2 0.873 105.7 56.9 -74.1 -40.5 48.0 53.8 55.6 118 124 A K H <5S+ 0 0 151 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.835 118.6 31.6 -61.4 -35.3 47.1 50.2 54.4 119 125 A H H <5S- 0 0 74 -4,-1.2 -1,-0.2 -5,-0.1 -2,-0.2 0.691 104.6-122.4 -99.0 -23.7 43.8 51.4 52.8 120 126 A G T <5 + 0 0 42 -4,-1.4 -3,-0.2 1,-0.2 2,-0.2 0.789 43.0 175.7 85.3 31.7 44.7 54.9 51.8 121 127 A F < - 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