==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-FEB-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-AUG-10 3OH8 . COMPND 2 MOLECULE: NUCLEOSIDE-DIPHOSPHATE SUGAR EPIMERASE (SULA FAMI . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR S.VOROBIEV,S.LEW,A.KUZIN,M.MAO,R.XIAO,C.CICCOSANTI,H.WANG, . 456 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 9.4 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 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 . 43 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 128 28.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.3 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 3 0 4 0 2 0 1 1 2 0 0 0 0 0 0 0 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 2 2 2 0 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 . 2 3 0 0 2 0 1 0 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 . 3 0 0 0 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 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 S 0 0 25 0, 0.0 2,-0.3 0, 0.0 113,-0.2 0.000 360.0 360.0 360.0 -58.1 39.6 20.0 16.8 2 3 A L E +A 108 0A 8 106,-2.0 106,-2.9 111,-0.1 2,-0.4 -0.886 360.0 179.3-156.0 128.3 40.9 23.5 17.8 3 4 A T E +A 107 0A 19 -2,-0.3 2,-0.3 104,-0.2 104,-0.2 -0.997 23.1 152.5-122.9 128.5 42.9 26.2 16.1 4 5 A T E -A 106 0A 1 102,-2.3 102,-2.8 -2,-0.4 2,-0.3 -0.994 25.8-146.3-155.6 149.7 43.6 29.4 18.1 5 6 A S E -A 105 0A 7 -2,-0.3 2,-0.3 100,-0.2 415,-0.2 -0.864 10.3-176.0-122.1 152.7 46.2 32.1 18.3 6 7 A H E -A 104 0A 10 98,-2.3 98,-2.8 -2,-0.3 2,-0.4 -0.996 22.3-125.7-148.1 145.4 47.8 34.4 21.0 7 8 A F E -A 103 0A 60 -2,-0.3 96,-0.2 96,-0.2 122,-0.0 -0.728 15.4-164.0 -94.2 135.7 50.3 37.2 21.0 8 9 A I E -A 102 0A 1 94,-3.3 94,-2.9 -2,-0.4 2,-2.2 -0.976 19.3-138.8-118.8 121.3 53.4 37.1 23.2 9 10 A P S S+ 0 0 60 0, 0.0 92,-0.1 0, 0.0 94,-0.1 -0.200 74.8 88.2 -79.6 51.3 55.2 40.5 23.6 10 11 A F S S- 0 0 27 -2,-2.2 -2,-0.2 92,-0.1 5,-0.1 -0.978 89.4 -83.6-143.2 152.3 58.6 39.0 23.3 11 12 A P >> - 0 0 62 0, 0.0 4,-2.5 0, 0.0 3,-0.6 -0.211 36.0-123.3 -57.0 142.1 60.9 38.3 20.2 12 13 A R H 3> S+ 0 0 60 89,-0.5 4,-3.0 1,-0.3 5,-0.3 0.836 112.0 58.4 -58.9 -34.0 60.2 35.0 18.4 13 14 A E H 3> S+ 0 0 157 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.921 110.0 42.8 -61.4 -42.3 63.8 34.0 19.0 14 15 A X H <> S+ 0 0 94 -3,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.914 115.8 48.6 -67.9 -44.4 63.4 34.3 22.7 15 16 A V H X S+ 0 0 0 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.944 114.0 45.1 -63.9 -46.7 60.0 32.6 22.7 16 17 A W H >X S+ 0 0 21 -4,-3.0 4,-1.1 1,-0.2 3,-0.6 0.949 110.9 54.8 -57.9 -50.0 61.1 29.7 20.6 17 18 A D H >X S+ 0 0 59 -4,-2.1 3,-0.8 -5,-0.3 4,-0.6 0.879 102.4 57.1 -51.1 -44.3 64.3 29.4 22.7 18 19 A W H >< S+ 0 0 1 -4,-2.1 3,-1.0 1,-0.3 -1,-0.3 0.876 103.7 53.2 -58.2 -39.8 62.1 29.1 25.9 19 20 A H H << S+ 0 0 16 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.727 102.4 59.5 -69.9 -22.3 60.3 26.1 24.5 20 21 A T H << S+ 0 0 59 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.634 90.2 93.9 -79.8 -14.0 63.6 24.3 23.7 21 22 A R S X< S- 0 0 81 -3,-1.0 3,-1.6 -4,-0.6 4,-0.3 -0.415 86.8 -95.0 -84.8 155.0 64.7 24.3 27.4 22 23 A K T 3 S+ 0 0 109 1,-0.2 148,-0.2 145,-0.2 -1,-0.1 -0.352 111.6 31.6 -57.1 142.9 64.3 21.7 30.1 23 24 A G T 3> S+ 0 0 3 144,-0.1 4,-2.6 145,-0.1 -1,-0.2 0.078 85.5 107.4 94.2 -23.2 61.2 22.4 32.2 24 25 A A H <> S+ 0 0 4 -3,-1.6 4,-1.7 1,-0.2 5,-0.1 0.892 79.9 48.1 -59.3 -43.0 59.2 24.0 29.4 25 26 A V H > S+ 0 0 42 -4,-0.3 4,-0.9 1,-0.2 -1,-0.2 0.934 112.1 50.3 -62.4 -44.2 56.8 21.1 29.0 26 27 A A H >4 S+ 0 0 33 1,-0.2 3,-0.7 2,-0.2 -2,-0.2 0.916 107.4 54.1 -59.9 -44.0 56.2 21.0 32.8 27 28 A R H 3< S+ 0 0 8 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.893 113.6 41.0 -58.7 -41.2 55.5 24.7 32.9 28 29 A L H 3< S+ 0 0 6 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.500 85.8 109.4 -91.7 -2.7 52.7 24.6 30.3 29 30 A T S << S- 0 0 8 -4,-0.9 -4,-0.0 -3,-0.7 4,-0.0 -0.613 79.1-114.6 -72.2 123.4 51.1 21.3 31.4 30 31 A P > - 0 0 6 0, 0.0 3,-1.3 0, 0.0 5,-0.5 -0.391 14.4-147.8 -64.1 129.8 47.7 22.2 32.9 31 32 A P T 3 S+ 0 0 5 0, 0.0 381,-0.1 0, 0.0 382,-0.1 0.720 95.4 62.7 -68.1 -19.0 47.5 21.5 36.7 32 33 A F T 3 S+ 0 0 53 2,-0.1 88,-0.1 87,-0.1 381,-0.1 0.261 92.6 70.9 -95.5 9.6 43.8 20.7 36.4 33 34 A I S < S- 0 0 62 -3,-1.3 2,-3.1 2,-0.2 381,-0.0 -0.999 89.5-124.8-124.1 128.3 44.4 17.8 34.1 34 35 A P S S+ 0 0 82 0, 0.0 2,-0.4 0, 0.0 -2,-0.1 -0.216 71.7 118.5 -74.2 55.6 46.0 14.7 35.7 35 36 A L + 0 0 19 -2,-3.1 18,-0.2 -5,-0.5 -2,-0.2 -0.956 37.0 178.0-120.3 132.8 48.9 14.6 33.3 36 37 A N E -B 52 0A 37 16,-1.9 16,-3.4 -2,-0.4 2,-0.2 -0.925 28.5-127.6-144.1 122.6 52.5 14.9 34.3 37 38 A P E +B 51 0A 16 0, 0.0 14,-0.3 0, 0.0 3,-0.1 -0.439 25.2 178.0 -63.6 124.2 55.6 14.8 32.1 38 39 A I + 0 0 61 12,-3.4 2,-0.3 -2,-0.2 13,-0.2 0.581 64.3 41.9-105.8 -13.5 58.0 12.3 33.7 39 40 A T S S- 0 0 63 11,-1.3 2,-0.6 2,-0.0 -1,-0.0 -0.865 74.8-126.6-126.4 166.8 60.7 12.5 31.0 40 41 A Q - 0 0 85 -2,-0.3 2,-0.3 9,-0.1 8,-0.1 -0.928 17.0-140.4-116.1 109.6 62.4 15.3 29.0 41 42 A A - 0 0 10 -2,-0.6 8,-0.1 1,-0.1 6,-0.1 -0.512 15.9-138.9 -64.4 128.9 62.5 15.1 25.2 42 43 A E S S+ 0 0 156 -2,-0.3 2,-0.3 6,-0.2 -1,-0.1 0.855 76.3 14.7 -60.5 -40.8 65.9 16.4 24.1 43 44 A R - 0 0 121 3,-0.5 20,-0.1 1,-0.1 -1,-0.1 -0.955 63.9-127.7-141.1 155.5 64.7 18.4 21.1 44 45 A L S S+ 0 0 17 -2,-0.3 31,-0.4 1,-0.2 20,-0.1 0.762 101.8 65.6 -72.7 -25.6 61.6 19.8 19.6 45 46 A A S S- 0 0 11 29,-0.1 22,-0.2 18,-0.1 2,-0.2 0.938 120.6 -23.2 -66.2 -48.1 62.2 18.2 16.2 46 47 A D S S+ 0 0 52 18,-0.1 -3,-0.5 -3,-0.1 18,-0.2 -0.679 85.8 96.4-143.9-166.5 61.9 14.6 17.2 47 48 A G - 0 0 30 16,-0.4 16,-2.3 -2,-0.2 2,-0.3 0.165 61.6 -95.2 89.3 150.2 62.2 12.6 20.4 48 49 A T E - C 0 62A 64 14,-0.2 2,-0.4 -8,-0.1 14,-0.3 -0.680 19.4-155.4-110.9 157.0 59.6 11.4 22.8 49 50 A T E - C 0 61A 6 12,-2.9 12,-3.0 -2,-0.3 2,-0.5 -0.996 13.1-146.2-126.1 131.5 58.1 12.6 26.1 50 51 A I E - C 0 60A 38 -2,-0.4 -12,-3.4 10,-0.2 -11,-1.3 -0.876 13.4-165.7-100.9 128.8 56.4 10.3 28.6 51 52 A F E -BC 37 59A 17 8,-3.3 8,-2.9 -2,-0.5 2,-0.3 -0.926 15.9-132.9-109.8 139.0 53.5 11.6 30.6 52 53 A S E -BC 36 58A 34 -16,-3.4 -16,-1.9 -2,-0.4 6,-0.2 -0.683 26.1-174.1 -82.9 142.6 52.1 9.9 33.7 53 54 A L - 0 0 26 4,-2.7 3,-0.4 -2,-0.3 -18,-0.1 -0.740 36.5 -73.0-125.7 174.7 48.3 9.6 33.8 54 55 A P S > S+ 0 0 74 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 -0.369 110.5 30.5 -73.3 155.5 46.0 8.3 36.6 55 56 A A T 3 S- 0 0 100 1,-0.2 3,-0.1 -3,-0.0 -3,-0.0 0.882 131.2 -64.8 71.8 40.7 45.8 4.6 37.5 56 57 A G T 3 S+ 0 0 72 -3,-0.4 -1,-0.2 1,-0.2 2,-0.0 0.420 99.7 137.3 65.8 -1.5 49.4 3.7 36.5 57 58 A L < - 0 0 77 -3,-0.9 -4,-2.7 -4,-0.1 2,-0.3 -0.289 37.1-155.0 -74.1 161.9 48.7 4.6 32.9 58 59 A K E -C 52 0A 118 -6,-0.2 2,-0.5 -3,-0.1 -6,-0.2 -0.993 11.6-143.6-142.0 145.3 51.1 6.5 30.7 59 60 A W E -C 51 0A 12 -8,-2.9 -8,-3.3 -2,-0.3 2,-0.8 -0.947 12.2-155.3-111.1 124.8 50.9 8.7 27.6 60 61 A V E -C 50 0A 60 -2,-0.5 19,-0.4 -10,-0.2 20,-0.3 -0.867 15.3-172.2-102.0 104.2 53.8 8.5 25.1 61 62 A A E -C 49 0A 5 -12,-3.0 -12,-2.9 -2,-0.8 2,-0.4 -0.732 1.8-164.3 -96.9 149.9 54.0 11.7 23.1 62 63 A R E -CD 48 77A 124 15,-2.2 15,-2.8 -2,-0.3 2,-0.3 -0.993 19.3-126.7-136.4 136.5 56.4 12.1 20.2 63 64 A H E - D 0 76A 12 -16,-2.3 2,-0.6 -2,-0.4 -16,-0.4 -0.690 28.9-132.3 -81.8 138.6 57.7 15.1 18.3 64 65 A D > - 0 0 29 11,-2.2 3,-1.6 -2,-0.3 11,-0.3 -0.814 9.7-158.0-100.6 115.6 57.1 14.8 14.5 65 66 A L G > S+ 0 0 113 -2,-0.6 3,-1.5 1,-0.3 -1,-0.2 0.874 95.2 58.3 -57.7 -37.5 60.0 15.6 12.3 66 67 A S G 3 S+ 0 0 94 1,-0.3 -1,-0.3 -3,-0.1 -21,-0.0 0.695 106.0 50.6 -67.9 -17.4 57.7 16.3 9.4 67 68 A G G < S+ 0 0 6 -3,-1.6 2,-0.4 -22,-0.2 -1,-0.3 -0.034 92.1 102.4-109.9 29.2 56.0 19.0 11.5 68 69 A F < + 0 0 53 -3,-1.5 2,-0.3 6,-0.2 6,-0.2 -0.932 35.6 169.2-115.3 134.4 59.2 20.7 12.5 69 70 A L B >> -E 73 0A 110 4,-2.6 3,-3.1 -2,-0.4 4,-2.5 -0.900 46.5-108.5-138.7 115.5 60.7 24.0 11.1 70 71 A N T 34 S- 0 0 123 -2,-0.3 4,-0.1 1,-0.3 -2,-0.0 -0.122 99.9 -1.7 -49.3 119.9 63.6 25.3 13.2 71 72 A G T 34 S+ 0 0 14 2,-0.1 -1,-0.3 1,-0.1 -55,-0.1 0.386 134.3 56.3 83.7 -2.9 62.5 28.4 15.0 72 73 A S T <4 S+ 0 0 28 -3,-3.1 23,-3.1 1,-0.3 2,-0.3 0.594 105.3 13.5-131.0 -29.6 58.9 28.4 13.6 73 74 A R E < +EF 69 94A 39 -4,-2.5 -4,-2.6 21,-0.2 -1,-0.3 -0.974 41.9 172.0-158.5 137.7 57.2 25.1 14.2 74 75 A F E - F 0 93A 11 19,-1.7 19,-2.9 -2,-0.3 2,-0.4 -0.965 19.8-149.1-139.1 160.5 57.2 21.9 16.2 75 76 A T E - F 0 92A 1 -31,-0.4 -11,-2.2 -2,-0.3 2,-0.4 -0.991 3.3-152.4-135.8 132.7 54.5 19.2 16.4 76 77 A D E -DF 63 91A 28 15,-2.9 15,-3.0 -2,-0.4 2,-0.3 -0.874 21.8-179.4-100.9 136.6 53.4 16.8 19.1 77 78 A V E -DF 62 90A 21 -15,-2.8 -15,-2.2 -2,-0.4 2,-0.4 -0.986 18.3-158.9-136.9 146.2 51.8 13.5 18.1 78 79 A C + 0 0 10 11,-2.1 10,-0.5 -2,-0.3 11,-0.4 -0.990 10.3 175.9-121.9 130.0 50.3 10.4 19.8 79 80 A L + 0 0 146 -2,-0.4 2,-0.3 -19,-0.4 -1,-0.1 0.688 65.5 60.5-101.3 -24.4 50.0 7.0 18.0 80 81 A T S S- 0 0 70 -20,-0.3 3,-0.2 6,-0.1 -20,-0.1 -0.788 74.6-133.4-109.4 155.4 48.7 4.8 20.9 81 82 A A + 0 0 64 -2,-0.3 3,-0.2 1,-0.2 6,-0.1 -0.678 30.5 164.3-114.0 78.1 45.5 5.3 22.9 82 83 A P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.897 91.0 3.2 -56.1 -38.2 46.0 5.0 26.7 83 84 A V S > S- 0 0 59 -3,-0.2 3,-1.1 1,-0.1 4,-0.2 -0.979 80.7-118.5-142.3 149.2 42.5 6.6 26.8 84 85 A K G > S+ 0 0 200 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.848 111.8 56.9 -56.2 -37.3 40.3 7.6 23.8 85 86 A A G 3 S+ 0 0 52 1,-0.3 -1,-0.3 26,-0.1 27,-0.2 0.798 110.4 43.4 -64.1 -30.0 40.4 11.3 24.7 86 87 A L G < S+ 0 0 27 -3,-1.1 3,-0.3 3,-0.1 2,-0.3 0.174 99.9 93.8-105.5 17.3 44.2 11.4 24.6 87 88 A A S < S+ 0 0 15 -3,-1.3 3,-0.1 1,-0.2 -6,-0.1 -0.734 76.4 26.1-113.1 160.6 44.6 9.4 21.4 88 89 A N S S+ 0 0 103 -10,-0.5 2,-0.4 -2,-0.3 -1,-0.2 0.885 87.0 163.8 57.0 39.1 44.9 10.3 17.8 89 90 A W + 0 0 12 -11,-0.4 -11,-2.1 -3,-0.3 2,-0.4 -0.753 19.9 175.4 -96.3 128.6 46.3 13.6 19.1 90 91 A R E -FG 77 109A 70 19,-1.7 19,-3.0 -2,-0.4 2,-0.6 -0.923 4.8-175.3-137.0 114.6 48.2 16.0 16.8 91 92 A H E -FG 76 108A 2 -15,-3.0 -15,-2.9 -2,-0.4 2,-0.5 -0.910 5.0-166.0-117.8 108.3 49.3 19.4 18.2 92 93 A V E -FG 75 107A 5 15,-3.4 15,-2.4 -2,-0.6 2,-0.6 -0.828 3.2-162.0 -94.3 129.2 51.0 21.8 15.9 93 94 A H E -FG 74 106A 2 -19,-2.9 -19,-1.7 -2,-0.5 2,-0.4 -0.945 12.7-172.8-111.9 111.5 52.8 24.8 17.6 94 95 A N E -FG 73 105A 14 11,-3.0 11,-2.7 -2,-0.6 2,-0.5 -0.888 7.0-167.6-113.1 135.7 53.4 27.6 15.1 95 96 A F E + G 0 104A 2 -23,-3.1 2,-0.3 -2,-0.4 9,-0.2 -0.967 11.1 170.7-124.7 117.8 55.5 30.8 15.8 96 97 A V E - G 0 103A 35 7,-2.5 7,-2.7 -2,-0.5 2,-0.2 -0.886 38.8-100.5-121.4 159.6 55.5 33.9 13.6 97 98 A D E + G 0 102A 90 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.528 39.6 180.0 -70.4 140.3 56.9 37.4 13.9 98 99 A Q E > - G 0 101A 14 3,-2.0 3,-2.5 -2,-0.2 -90,-0.1 -0.802 64.8 -39.0-149.4 100.3 54.3 39.9 14.9 99 100 A D T 3 S- 0 0 103 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.853 120.5 -47.3 50.8 43.1 55.2 43.6 15.4 100 101 A G T 3 S+ 0 0 66 1,-0.3 -1,-0.3 -90,-0.0 2,-0.1 0.251 133.6 77.9 83.8 -14.2 58.5 42.7 17.1 101 102 A G E < S- G 0 98A 3 -3,-2.5 -3,-2.0 -90,-0.1 -89,-0.5 -0.156 86.8 -90.1-105.3-155.9 56.7 40.2 19.3 102 103 A T E -AG 8 97A 0 -94,-2.9 -94,-3.3 -5,-0.2 2,-0.6 -0.965 18.6-157.6-130.2 135.3 55.5 36.7 18.6 103 104 A L E -AG 7 96A 0 -7,-2.7 -7,-2.5 -2,-0.4 2,-0.5 -0.969 17.7-162.4-110.6 115.7 52.2 35.3 17.4 104 105 A I E -AG 6 95A 4 -98,-2.8 -98,-2.3 -2,-0.6 2,-0.5 -0.852 4.7-166.9 -99.4 129.4 51.7 31.7 18.4 105 106 A T E -AG 5 94A 0 -11,-2.7 -11,-3.0 -2,-0.5 2,-0.5 -0.975 2.3-164.0-114.1 124.8 49.1 29.5 16.7 106 107 A D E -AG 4 93A 4 -102,-2.8 -102,-2.3 -2,-0.5 2,-0.5 -0.920 7.3-178.0-102.5 130.3 48.2 26.2 18.2 107 108 A S E -AG 3 92A 3 -15,-2.4 -15,-3.4 -2,-0.5 2,-0.5 -0.959 2.3-175.7-128.3 112.7 46.4 23.8 16.0 108 109 A V E -AG 2 91A 3 -106,-2.9 -106,-2.0 -2,-0.5 2,-0.6 -0.936 13.8-153.4-111.8 125.8 45.3 20.5 17.6 109 110 A S E + G 0 90A 10 -19,-3.0 -19,-1.7 -2,-0.5 2,-0.3 -0.875 43.1 124.2 -94.5 122.4 43.7 17.7 15.5 110 111 A T - 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0 0 101 -3,-1.3 -3,-0.2 -4,-0.3 -2,-0.1 0.827 48.0-177.0 68.1 32.4 57.7 46.9 44.3 398 425 A H < - 0 0 20 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.376 20.2-135.3 -60.7 137.3 57.3 43.2 43.6 399 426 A T - 0 0 71 -2,-0.1 2,-0.4 -265,-0.1 3,-0.1 -0.840 16.2-152.1 -94.7 129.5 54.7 42.4 40.9 400 427 A F - 0 0 21 -2,-0.5 3,-0.3 1,-0.1 -63,-0.0 -0.834 12.5-147.3 -99.9 141.8 52.3 39.5 41.8 401 428 A R S S+ 0 0 23 -2,-0.4 2,-0.5 1,-0.3 -1,-0.1 0.885 93.6 25.7 -68.5 -41.7 50.8 37.4 39.1 402 429 A Y + 0 0 15 1,-0.1 -68,-0.3 -68,-0.1 -1,-0.3 -0.906 56.4 164.5-131.6 104.7 47.6 36.9 41.1 403 430 A T S S+ 0 0 58 -2,-0.5 -42,-0.5 -3,-0.3 2,-0.4 0.723 71.5 59.9 -85.8 -23.2 46.6 39.5 43.7 404 431 A D S >> S- 0 0 88 1,-0.1 4,-1.9 -44,-0.1 3,-0.6 -0.912 75.4-140.9-115.0 133.0 43.0 38.2 43.9 405 432 A I H 3> S+ 0 0 8 -2,-0.4 4,-2.8 -44,-0.3 5,-0.2 0.824 101.9 58.9 -62.7 -34.6 42.2 34.7 45.0 406 433 A G H 3> S+ 0 0 35 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.913 108.5 46.0 -56.4 -44.4 39.4 34.3 42.4 407 434 A A H <> S+ 0 0 44 -3,-0.6 4,-1.6 2,-0.2 -2,-0.2 0.863 112.2 50.6 -68.9 -36.2 41.9 35.0 39.6 408 435 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.920 112.4 47.2 -65.0 -42.9 44.4 32.6 41.1 409 436 A I H X S+ 0 0 10 -4,-2.8 4,-2.7 2,-0.2 5,-0.2 0.882 107.8 54.9 -68.3 -39.1 41.8 29.8 41.4 410 437 A A H X>S+ 0 0 22 -4,-2.1 5,-2.9 -5,-0.2 4,-0.7 0.904 111.6 46.2 -59.7 -40.6 40.5 30.4 37.8 411 438 A H H <5S+ 0 0 0 -4,-1.6 3,-0.3 3,-0.2 -2,-0.2 0.942 117.1 42.3 -65.6 -48.5 44.1 29.9 36.6 412 439 A E H <5S+ 0 0 1 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.806 119.4 40.7 -75.3 -29.0 44.7 26.8 38.7 413 440 A L H <5S- 0 0 16 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.417 115.2-108.1-103.2 0.2 41.4 25.0 38.1 414 441 A G T <5S+ 0 0 17 -4,-0.7 -3,-0.2 -3,-0.3 -4,-0.1 0.892 75.1 130.0 83.5 45.1 41.1 25.9 34.4 415 442 A Y < + 0 0 130 -5,-2.9 -4,-0.2 -6,-0.2 -5,-0.1 0.156 38.8 119.9-110.8 14.9 38.4 28.5 34.1 416 443 A E - 0 0 42 -6,-0.6 2,-0.3 -297,-0.2 -294,-0.2 -0.375 58.7-120.6 -82.7 162.6 40.4 31.0 32.1 417 444 A Q - 0 0 128 -295,-0.2 4,-0.1 1,-0.1 -1,-0.1 -0.748 27.9 -97.1-102.5 149.8 39.4 32.2 28.6 418 445 A L - 0 0 4 -2,-0.3 6,-0.2 2,-0.2 -1,-0.1 -0.247 33.2-117.4 -52.2 146.1 41.3 31.9 25.3 419 446 A A S S+ 0 0 62 1,-0.2 2,-1.6 2,-0.1 3,-0.2 0.885 109.4 74.6 -53.4 -42.4 43.2 35.0 24.3 420 447 A D > - 0 0 36 -415,-0.2 4,-2.1 1,-0.2 -2,-0.2 -0.616 69.0-178.0 -75.1 89.5 40.9 35.2 21.3 421 448 A F H > S+ 0 0 49 -2,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.899 77.6 52.9 -59.0 -47.0 37.8 36.4 23.2 422 449 A A H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.886 109.9 49.2 -57.5 -40.8 35.5 36.4 20.2 423 450 A Q H > S+ 0 0 37 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.895 108.8 53.1 -66.4 -42.0 36.4 32.8 19.5 424 451 A Q H X S+ 0 0 18 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.955 110.4 47.8 -52.4 -53.4 35.8 31.9 23.2 425 452 A Q H < S+ 0 0 137 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.879 111.8 49.9 -58.9 -40.7 32.3 33.5 22.9 426 453 A E H < S+ 0 0 137 -4,-2.2 3,-0.3 1,-0.2 -1,-0.2 0.882 105.1 55.2 -68.1 -40.5 31.6 31.6 19.7 427 454 A I H < S+ 0 0 42 -4,-2.6 2,-1.8 1,-0.3 -1,-0.2 0.821 93.3 72.9 -63.7 -29.8 32.6 28.2 21.1 428 455 A E < 0 0 136 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.248 360.0 360.0 -75.2 48.3 30.1 28.8 23.8 429 456 A A 0 0 122 -2,-1.8 -1,-0.1 -3,-0.3 -3,-0.0 -0.735 360.0 360.0-158.3 360.0 27.4 28.2 21.2 430 ! 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 0.0 431 484 A N 0 0 107 0, 0.0 -321,-0.3 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 133.2 36.2 16.3 13.4 432 485 A L - 0 0 41 -323,-0.1 2,-0.4 -431,-0.1 -323,-0.1 -0.418 360.0-136.6 -78.3 152.8 39.9 15.7 12.6 433 486 A E - 0 0 49 -2,-0.1 -324,-0.1 4,-0.0 -1,-0.0 -0.928 8.7-137.7-113.1 133.1 41.9 17.8 10.1 434 487 A D > - 0 0 64 -2,-0.4 4,-2.4 1,-0.1 3,-0.3 -0.409 38.6 -94.8 -77.6 164.0 44.3 16.5 7.5 435 488 A P H > S+ 0 0 82 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.837 125.8 50.5 -47.1 -47.9 47.7 18.3 7.0 436 489 A E H > S+ 0 0 146 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.918 113.1 46.7 -59.5 -44.5 46.4 20.4 4.1 437 490 A E H > S+ 0 0 88 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.877 109.0 55.8 -62.8 -39.0 43.4 21.5 6.2 438 491 A V H X S+ 0 0 7 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.898 105.1 51.2 -64.0 -42.6 45.7 22.2 9.2 439 492 A E H X S+ 0 0 74 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.898 111.1 48.6 -59.6 -43.8 47.8 24.6 7.2 440 493 A Q H X S+ 0 0 123 -4,-1.6 4,-2.7 2,-0.2 -2,-0.2 0.914 110.3 51.0 -63.9 -42.9 44.7 26.5 6.0 441 494 A S H X S+ 0 0 31 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.912 112.9 46.5 -59.7 -43.4 43.4 26.7 9.6 442 495 A I H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.959 113.0 47.4 -65.6 -51.2 46.7 28.1 10.8 443 496 A L H X S+ 0 0 82 -4,-2.7 4,-2.7 1,-0.2 -2,-0.2 0.920 113.7 49.5 -55.3 -45.0 47.0 30.6 8.0 444 497 A S H X S+ 0 0 70 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.885 108.7 52.0 -62.2 -39.7 43.4 31.7 8.6 445 498 A S H X S+ 0 0 14 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.891 111.0 48.0 -65.5 -38.4 43.9 32.0 12.4 446 499 A I H X S+ 0 0 17 -4,-2.3 4,-2.5 2,-0.2 5,-0.2 0.969 111.5 49.5 -64.9 -52.1 47.0 34.3 11.7 447 500 A L H X S+ 0 0 99 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.883 109.2 53.5 -53.4 -42.9 45.0 36.4 9.2 448 501 A N H X S+ 0 0 68 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.925 109.1 48.0 -60.1 -45.7 42.1 36.8 11.7 449 502 A F H X S+ 0 0 41 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.940 114.6 46.2 -60.4 -46.5 44.5 38.0 14.4 450 503 A R H X S+ 0 0 98 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.872 109.1 53.7 -67.7 -36.4 46.1 40.5 12.0 451 504 A R H X S+ 0 0 148 -4,-2.7 4,-2.0 -5,-0.2 -1,-0.2 0.931 112.4 45.3 -64.4 -43.2 42.8 41.8 10.7 452 505 A K H X S+ 0 0 146 -4,-2.1 4,-2.6 -5,-0.2 -2,-0.2 0.927 113.5 48.5 -65.4 -45.4 41.5 42.5 14.2 453 506 A R H X S+ 0 0 59 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.913 111.8 49.7 -61.6 -42.8 44.8 44.2 15.3 454 507 A N H X S+ 0 0 76 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.891 110.8 49.9 -63.3 -39.5 44.8 46.3 12.1 455 508 A D H X S+ 0 0 75 -4,-2.0 4,-1.1 -5,-0.2 -2,-0.2 0.932 110.6 50.2 -63.3 -44.0 41.2 47.3 12.8 456 509 A L H < S+ 0 0 44 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.902 107.8 53.4 -60.4 -42.3 42.2 48.2 16.4 457 510 A E H >< S+ 0 0 111 -4,-2.6 3,-1.3 1,-0.2 -1,-0.2 0.919 108.0 50.4 -59.8 -43.4 45.1 50.3 15.1 458 511 A H H 3< S+ 0 0 126 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.734 98.1 69.0 -66.3 -23.2 42.8 52.3 12.9 459 512 A H T 3< 0 0 121 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.350 360.0 360.0 -84.1 8.3 40.4 52.9 15.8 460 513 A H < 0 0 209 -3,-1.3 -3,-0.0 -4,-0.1 0, 0.0 -0.397 360.0 360.0-128.4 360.0 42.9 55.2 17.5