==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 29-DEC-09 3L7V . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN SMU.1377C; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS MUTANS; . AUTHOR X.-D.SU,T.-M.FU,X.LIU . 256 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12074.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 163 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 12.1 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 0.8 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 . 11 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 0 2 1 1 1 0 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 1 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 0 A S 0 0 113 0, 0.0 2,-0.3 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0 -50.6 56.3 3.2 43.2 2 1 A X - 0 0 189 171,-0.0 2,-0.4 170,-0.0 170,-0.0 -0.677 360.0-159.5 -69.8 137.4 56.8 3.6 46.9 3 2 A T - 0 0 20 -2,-0.3 2,-0.2 173,-0.0 173,-0.1 -0.981 14.0-127.3-131.1 132.9 57.4 7.3 47.6 4 3 A K E -a 176 0A 124 171,-0.5 173,-2.0 -2,-0.4 2,-0.4 -0.531 23.3-162.1 -73.7 133.3 59.0 9.2 50.5 5 4 A H E +a 177 0A 64 -2,-0.2 2,-0.3 171,-0.2 173,-0.2 -0.965 11.1 176.1-117.2 136.9 56.9 12.0 52.2 6 5 A I E -a 178 0A 34 171,-2.0 173,-2.9 -2,-0.4 2,-0.5 -0.911 27.7-118.4-132.2 162.5 58.3 14.7 54.4 7 6 A H E -a 179 0A 146 -2,-0.3 2,-0.2 171,-0.2 173,-0.2 -0.898 25.9-126.4-105.4 125.2 57.0 17.8 56.2 8 7 A W - 0 0 52 171,-2.0 4,-0.1 -2,-0.5 127,-0.0 -0.461 18.9-168.6 -66.7 132.8 58.4 21.3 55.3 9 8 A D - 0 0 121 2,-0.3 -1,-0.1 -2,-0.2 3,-0.1 0.376 51.9 -93.7-105.8 3.1 59.6 23.2 58.4 10 9 A G S S+ 0 0 31 1,-0.4 2,-0.2 0, 0.0 -2,-0.1 0.252 97.3 95.9 102.6 -14.6 60.0 26.7 57.0 11 10 A N S S- 0 0 104 1,-0.1 -1,-0.4 127,-0.0 -2,-0.3 -0.649 91.5 -70.4 -99.8 164.7 63.7 26.3 56.1 12 11 A L - 0 0 41 -2,-0.2 2,-1.0 1,-0.1 -1,-0.1 -0.268 49.2-122.0 -51.5 130.5 65.3 25.3 52.8 13 12 A S > - 0 0 18 122,-0.3 4,-2.2 1,-0.2 5,-0.1 -0.686 27.6-176.3 -80.5 102.2 64.7 21.6 51.9 14 13 A Q H > S+ 0 0 119 -2,-1.0 4,-2.2 2,-0.2 -1,-0.2 0.866 84.6 52.2 -65.4 -37.6 68.2 20.1 51.5 15 14 A E H > S+ 0 0 96 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.937 110.8 46.6 -64.7 -46.8 66.7 16.7 50.5 16 15 A G H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.876 111.6 52.4 -62.3 -41.4 64.5 18.4 47.8 17 16 A F H X S+ 0 0 11 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.942 108.2 49.0 -57.3 -53.2 67.4 20.4 46.5 18 17 A E H X S+ 0 0 107 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.857 111.0 51.9 -60.9 -36.0 69.8 17.4 46.1 19 18 A I H < S+ 0 0 43 -4,-1.8 6,-0.2 2,-0.2 -1,-0.2 0.922 112.7 42.5 -65.9 -44.2 67.0 15.4 44.2 20 19 A V H < S+ 0 0 0 -4,-1.9 5,-0.3 1,-0.2 20,-0.2 0.834 110.0 57.9 -75.5 -30.8 66.3 18.2 41.7 21 20 A K H < S+ 0 0 61 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.861 94.5 85.3 -61.8 -36.0 70.1 18.9 41.3 22 21 A G S >< S- 0 0 34 -4,-1.4 3,-2.2 -5,-0.2 18,-0.2 -0.380 101.2 -82.3 -70.3 146.5 70.5 15.2 40.2 23 22 A E T 3 S+ 0 0 179 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 -0.217 112.7 0.7 -51.5 122.3 69.9 14.1 36.6 24 23 A G T 3 S+ 0 0 7 1,-0.2 -1,-0.3 -4,-0.2 -4,-0.1 0.566 89.8 165.2 76.5 10.4 66.2 13.6 35.9 25 24 A G < - 0 0 5 -3,-2.2 15,-0.5 -5,-0.3 2,-0.3 -0.308 12.5-177.4 -65.1 144.4 65.0 14.5 39.4 26 25 A V E +B 39 0A 3 13,-0.1 149,-2.0 14,-0.1 150,-0.6 -0.979 3.5 173.6-145.3 126.9 61.3 15.3 40.0 27 26 A I E -Bc 38 176A 0 11,-2.0 11,-2.4 -2,-0.3 2,-0.4 -0.861 28.6-127.0-128.6 163.7 59.6 16.5 43.2 28 27 A V E -Bc 37 177A 0 148,-2.3 150,-2.0 -2,-0.3 9,-0.2 -0.925 34.8-179.4-107.4 142.2 56.2 17.6 44.4 29 28 A C E -B 36 0A 0 7,-2.3 7,-2.6 -2,-0.4 127,-0.2 -1.000 25.7-112.8-151.4 137.6 56.1 21.0 46.4 30 29 A P E -B 35 0A 2 0, 0.0 106,-0.4 0, 0.0 2,-0.3 -0.307 32.5-178.6 -70.1 148.9 53.6 23.3 48.1 31 30 A T E > -B 34 0A 8 3,-2.7 3,-0.7 104,-0.1 102,-0.2 -0.826 46.2 -89.6-134.0 179.0 52.7 26.8 46.9 32 31 A K T 3 S+ 0 0 19 100,-2.0 155,-0.1 -2,-0.3 101,-0.1 0.774 128.4 30.9 -58.3 -31.3 50.5 29.7 48.0 33 32 A V T 3 S- 0 0 17 99,-0.4 2,-0.3 165,-0.1 -1,-0.2 0.317 129.4 -69.9-114.5 9.4 47.6 28.2 46.0 34 33 A G E < S-B 31 0A 2 -3,-0.7 -3,-2.7 127,-0.1 2,-0.3 -0.928 76.5 -19.9 152.3-123.5 48.3 24.5 46.2 35 34 A Y E -B 30 0A 5 -2,-0.3 121,-3.2 -5,-0.3 2,-0.3 -0.985 43.8-171.1-133.7 138.9 50.8 21.9 44.8 36 35 A I E -BD 29 155A 21 -7,-2.6 -7,-2.3 -2,-0.3 2,-0.5 -0.921 23.4-127.8-123.8 152.5 53.3 21.9 41.9 37 36 A I E -BD 28 154A 2 117,-3.1 117,-1.4 -2,-0.3 2,-0.4 -0.889 32.9-161.4 -93.5 131.3 55.6 19.4 40.1 38 37 A X E +BD 27 153A 0 -11,-2.4 -11,-2.0 -2,-0.5 2,-0.3 -0.941 19.1 153.3-123.0 135.3 59.2 20.7 39.9 39 38 A T E -BD 26 152A 0 113,-2.2 113,-3.4 -2,-0.4 -13,-0.1 -0.935 30.5-152.0-149.8 170.4 62.2 19.7 37.7 40 39 A S S S+ 0 0 8 -15,-0.5 2,-0.3 -2,-0.3 110,-0.2 0.308 70.0 40.4-134.2 9.7 65.3 21.1 36.1 41 40 A D S > S- 0 0 19 -16,-0.3 4,-2.1 1,-0.1 3,-0.2 -0.953 82.8 -97.6-150.0 174.3 66.1 19.1 32.9 42 41 A K H > S+ 0 0 33 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.908 119.3 53.7 -58.7 -46.3 64.6 17.5 29.8 43 42 A K H > S+ 0 0 115 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.857 111.8 46.0 -56.0 -38.4 64.6 14.0 31.3 44 43 A G H > S+ 0 0 0 -3,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.850 109.8 54.7 -72.6 -34.9 62.6 15.3 34.3 45 44 A L H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 5,-0.2 0.888 104.2 53.6 -66.5 -42.7 60.2 17.3 32.0 46 45 A E H X S+ 0 0 82 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.908 107.8 51.4 -54.9 -45.1 59.4 14.1 30.0 47 46 A R H X S+ 0 0 70 -4,-1.2 4,-2.3 -5,-0.2 -1,-0.2 0.891 109.7 51.3 -60.3 -38.3 58.4 12.4 33.3 48 47 A K H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 5,-0.3 0.948 110.0 45.7 -66.8 -51.8 56.2 15.4 34.2 49 48 A F H X>S+ 0 0 17 -4,-2.3 5,-1.8 1,-0.2 4,-1.7 0.915 115.3 48.6 -58.9 -44.3 54.2 15.5 31.0 50 49 A E H <5S+ 0 0 63 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.912 109.7 51.7 -60.7 -45.1 53.7 11.7 31.0 51 50 A A H <5S+ 0 0 7 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.839 120.8 32.6 -64.6 -36.2 52.6 11.6 34.6 52 51 A K H <5S- 0 0 40 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.640 101.6-129.5 -90.6 -18.5 49.9 14.3 34.1 53 52 A K T <5 + 0 0 81 -4,-1.7 2,-0.2 -5,-0.3 -3,-0.2 0.936 47.4 175.7 61.2 49.6 49.1 13.3 30.5 54 53 A R < - 0 0 74 -5,-1.8 -1,-0.2 -6,-0.2 2,-0.2 -0.590 37.9 -97.9 -90.1 145.0 49.6 17.0 29.6 55 54 A N > - 0 0 70 -2,-0.2 3,-1.9 1,-0.1 -1,-0.1 -0.435 26.9-137.8 -62.1 129.8 49.4 18.4 26.1 56 55 A R T 3 S+ 0 0 65 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.665 101.4 61.5 -66.1 -19.8 52.9 18.8 24.7 57 56 A N T 3 S+ 0 0 145 1,-0.1 -1,-0.3 2,-0.1 65,-0.1 0.463 87.2 82.8 -84.9 -3.6 52.1 22.2 23.2 58 57 A K S < S- 0 0 35 -3,-1.9 -1,-0.1 63,-0.1 63,-0.1 -0.854 79.2-148.6-104.0 99.0 51.3 23.5 26.7 59 58 A P - 0 0 41 0, 0.0 60,-0.2 0, 0.0 2,-0.1 -0.152 10.7-113.6 -69.0 152.4 54.7 24.5 28.2 60 59 A G - 0 0 2 58,-2.1 67,-0.3 60,-0.1 2,-0.2 -0.374 38.7-112.1 -70.4 164.6 55.9 24.5 31.8 61 60 A V E -E 153 0A 38 92,-2.1 92,-1.5 65,-0.1 2,-0.6 -0.627 19.3-112.7-102.0 159.3 56.7 27.8 33.4 62 61 A V E -Ef 152 128A 0 65,-2.6 67,-2.4 -2,-0.2 2,-0.7 -0.827 24.1-147.4 -94.5 118.6 60.0 29.4 34.6 63 62 A L E - f 0 129A 6 88,-2.1 88,-0.5 -2,-0.6 2,-0.4 -0.760 13.2-154.7 -90.0 110.8 60.3 29.8 38.4 64 63 A C - 0 0 2 65,-2.3 67,-0.4 -2,-0.7 77,-0.1 -0.715 15.6-171.5 -91.3 128.0 62.4 32.9 39.3 65 64 A G S S+ 0 0 10 -2,-0.4 2,-0.3 75,-0.3 -1,-0.1 0.450 72.5 5.1 -95.6 -2.9 64.3 33.1 42.6 66 65 A S S > S- 0 0 16 1,-0.1 4,-1.7 74,-0.1 -1,-0.2 -0.969 72.2-106.2-169.5 164.5 65.3 36.7 42.3 67 66 A X H > S+ 0 0 13 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.757 115.9 62.4 -67.4 -25.5 65.0 39.9 40.2 68 67 A E H > S+ 0 0 62 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.907 102.2 48.2 -68.5 -44.0 68.5 39.3 39.0 69 68 A E H > S+ 0 0 2 2,-0.2 4,-1.2 1,-0.2 5,-0.2 0.932 110.9 52.5 -61.0 -45.8 67.7 36.0 37.3 70 69 A L H >X S+ 0 0 0 -4,-1.7 4,-2.4 1,-0.2 3,-0.8 0.940 110.1 46.7 -53.1 -49.7 64.6 37.6 35.7 71 70 A R H 3< S+ 0 0 97 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.766 109.6 54.9 -69.9 -25.0 66.7 40.4 34.2 72 71 A A H 3< S+ 0 0 49 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.754 119.9 29.9 -72.3 -24.8 69.3 38.0 32.9 73 72 A L H << S+ 0 0 15 -4,-1.2 28,-2.1 -3,-0.8 2,-0.3 0.776 108.5 57.5-109.3 -36.9 66.8 35.9 31.0 74 73 A A B < S-K 100 0B 1 -4,-2.4 2,-0.3 26,-0.2 26,-0.2 -0.784 75.2-115.0-110.0 146.1 63.8 37.9 29.7 75 74 A Q + 0 0 74 24,-2.1 2,-0.3 -2,-0.3 -3,-0.1 -0.586 44.6 179.7 -72.7 139.2 63.4 41.0 27.5 76 75 A L - 0 0 44 -2,-0.3 136,-0.0 -5,-0.1 3,-0.0 -0.931 27.4-146.7-140.2 154.7 62.0 44.0 29.4 77 76 A T > - 0 0 20 -2,-0.3 4,-2.7 137,-0.1 5,-0.2 -0.771 41.0-105.0-108.3 168.8 61.0 47.7 29.2 78 77 A P H > S+ 0 0 97 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.893 121.8 50.1 -64.4 -36.3 61.3 50.2 32.0 79 78 A E H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.924 112.8 45.8 -60.1 -47.2 57.6 50.1 32.7 80 79 A I H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.938 112.6 50.5 -64.7 -45.7 57.5 46.2 32.8 81 80 A D H X S+ 0 0 43 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.921 113.0 46.3 -53.3 -49.1 60.6 46.1 35.0 82 81 A A H X S+ 0 0 43 -4,-2.2 4,-1.5 -5,-0.2 -1,-0.2 0.828 108.0 57.3 -63.0 -38.6 58.9 48.6 37.4 83 82 A F H X S+ 0 0 2 -4,-2.4 4,-1.1 1,-0.2 -2,-0.2 0.933 110.2 44.0 -56.4 -49.8 55.7 46.6 37.3 84 83 A Y H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.852 106.9 59.7 -62.7 -41.7 57.5 43.5 38.6 85 84 A Q H X S+ 0 0 57 -4,-1.8 4,-2.9 1,-0.2 -1,-0.2 0.865 103.5 51.5 -58.5 -40.2 59.5 45.3 41.3 86 85 A K H X S+ 0 0 41 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.865 110.0 48.4 -66.3 -38.7 56.4 46.5 43.0 87 86 A H H X>S+ 0 0 0 -4,-1.1 5,-2.1 2,-0.2 4,-0.7 0.934 113.3 49.0 -65.4 -42.1 55.0 42.9 43.1 88 87 A W H ><5S+ 0 0 63 -4,-2.8 3,-0.9 1,-0.2 -2,-0.2 0.932 110.9 49.2 -55.5 -52.5 58.4 41.8 44.5 89 88 A D H 3<5S+ 0 0 113 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.792 118.5 39.1 -59.7 -33.7 58.5 44.5 47.2 90 89 A E H 3<5S- 0 0 114 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.387 109.2-120.8-102.0 1.3 55.0 43.7 48.3 91 90 A D T <<5 + 0 0 80 -3,-0.9 2,-0.5 -4,-0.7 -3,-0.2 0.937 52.9 157.4 60.3 53.6 55.3 39.9 48.0 92 91 A I < - 0 0 4 -5,-2.1 -1,-0.2 -6,-0.1 2,-0.2 -0.940 45.7-116.1-112.3 130.5 52.5 39.2 45.5 93 92 A L + 0 0 17 -2,-0.5 108,-0.4 38,-0.1 2,-0.3 -0.408 46.4 168.0 -61.3 126.4 52.3 36.1 43.3 94 93 A L E -G 130 0A 0 36,-1.5 36,-1.9 -2,-0.2 2,-0.4 -0.992 22.3-169.6-149.1 134.6 52.6 37.2 39.6 95 94 A G E -Gh 129 202A 3 106,-1.1 108,-2.5 -2,-0.3 2,-0.4 -0.990 8.9-176.8-125.5 133.9 53.2 35.5 36.2 96 95 A C E -Gh 128 203A 0 32,-1.7 32,-2.3 -2,-0.4 2,-0.7 -0.988 26.3-128.0-131.9 138.2 53.9 37.3 32.8 97 96 A I E +Gh 127 204A 28 106,-1.8 108,-1.6 -2,-0.4 30,-0.2 -0.735 44.5 162.2 -84.4 113.4 54.4 36.0 29.3 98 97 A L E -G 126 0A 0 28,-2.3 28,-2.0 -2,-0.7 2,-0.2 -0.850 37.6-111.0-128.7 160.9 57.7 37.4 27.9 99 98 A P E -G 125 0A 10 0, 0.0 -24,-2.1 0, 0.0 2,-0.3 -0.585 37.9-110.5 -84.0 157.3 60.3 36.8 25.1 100 99 A W B -K 74 0B 13 24,-1.0 -26,-0.2 -26,-0.2 2,-0.2 -0.622 30.1-106.4 -84.1 146.1 63.8 35.5 25.8 101 100 A K >> - 0 0 87 -28,-2.1 4,-2.3 -2,-0.3 3,-0.6 -0.535 33.3-120.0 -63.5 134.6 66.9 37.7 25.4 102 101 A A H 3> S+ 0 0 80 1,-0.3 4,-1.6 -2,-0.2 -1,-0.1 0.868 112.6 45.7 -44.4 -49.2 68.8 36.5 22.2 103 102 A E H 3> S+ 0 0 152 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.827 111.6 52.2 -70.3 -32.5 72.0 35.6 24.2 104 103 A A H <> S+ 0 0 14 -3,-0.6 4,-2.8 2,-0.2 -1,-0.2 0.865 106.8 53.1 -68.0 -38.6 70.0 33.9 26.9 105 104 A Y H X S+ 0 0 69 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.846 106.3 53.6 -69.2 -34.0 68.2 31.7 24.4 106 105 A E H X S+ 0 0 106 -4,-1.6 4,-1.7 -5,-0.3 -2,-0.2 0.961 110.6 45.8 -61.1 -53.0 71.5 30.6 22.9 107 106 A K H X S+ 0 0 74 -4,-1.9 4,-0.9 2,-0.2 3,-0.5 0.936 108.7 57.5 -53.9 -48.0 72.8 29.6 26.3 108 107 A L H >< S+ 0 0 4 -4,-2.8 3,-0.9 1,-0.3 7,-0.2 0.926 110.9 42.5 -45.2 -52.0 69.4 27.8 26.9 109 108 A K H >< S+ 0 0 88 -4,-2.2 3,-1.7 1,-0.2 5,-0.3 0.731 96.9 77.9 -72.0 -22.7 70.0 25.7 23.7 110 109 A A H 3< S+ 0 0 82 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.825 77.0 73.7 -55.6 -32.5 73.7 25.2 24.6 111 110 A Y T << S- 0 0 114 -3,-0.9 -1,-0.3 -4,-0.9 -2,-0.2 0.799 89.2-152.3 -55.5 -28.8 72.6 22.5 27.2 112 111 A G < + 0 0 64 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.1 0.349 65.8 107.7 77.4 -7.4 71.9 20.3 24.1 113 112 A D S S- 0 0 53 1,-0.0 -1,-0.1 0, 0.0 -4,-0.1 0.447 87.9-119.7 -83.0 2.3 69.2 18.2 25.8 114 113 A G > + 0 0 20 -5,-0.3 3,-1.1 -6,-0.1 4,-0.2 0.814 60.1 149.9 67.7 34.6 66.5 20.0 23.8 115 114 A R T >> + 0 0 17 1,-0.2 3,-1.8 -7,-0.2 4,-1.1 0.722 56.0 79.4 -71.4 -22.6 64.5 21.4 26.7 116 115 A E H 3> S+ 0 0 37 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.664 84.1 67.0 -56.7 -18.6 63.3 24.4 24.7 117 116 A E H <4 S+ 0 0 121 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.840 109.2 32.4 -73.2 -31.7 60.8 22.1 23.3 118 117 A L H <4 S+ 0 0 6 -3,-1.8 -58,-2.1 -4,-0.2 -2,-0.2 0.489 124.3 37.9-109.4 -5.5 59.0 21.7 26.7 119 118 A X H < S+ 0 0 0 -4,-1.1 2,-0.3 -60,-0.2 8,-0.2 0.322 111.7 50.1-132.3 9.0 59.4 25.1 28.4 120 119 A T S < S- 0 0 9 -4,-0.8 6,-0.2 -5,-0.2 2,-0.1 -0.938 77.5-128.0-128.3 160.4 59.0 27.6 25.6 121 120 A D > - 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