==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 25-MAY-11 3S6K . COMPND 2 MOLECULE: ACETYLGLUTAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: XANTHOMONAS CAMPESTRIS PV. CAMPESTRIS; . AUTHOR D.SHI,Y.LI,J.CABRERA-LUQUE,Z.JIN,X.YU,N.M.ALLEWELL,M.TUCHMAN . 438 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22093.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 265 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 36 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 1 0.2 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 0.5 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 . 35 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 5 0 1 1 2 2 0 2 1 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 PARALLEL BRIDGES PER LADDER . 3 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 10 A Q 0 0 168 0, 0.0 4,-0.5 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.1 36.4 66.2 80.0 2 11 A T >> + 0 0 69 1,-0.2 4,-3.1 2,-0.2 3,-2.2 0.953 360.0 50.6 -63.5 -52.8 36.7 62.9 82.0 3 12 A R H 3> S+ 0 0 74 1,-0.3 4,-1.9 2,-0.2 5,-0.3 0.832 95.9 72.1 -57.4 -35.5 38.6 64.3 84.9 4 13 A Q H 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.804 118.7 18.5 -45.3 -31.7 35.9 67.0 85.1 5 14 A T H <> S+ 0 0 59 -3,-2.2 4,-3.1 -4,-0.5 5,-0.4 0.679 109.7 72.6-117.9 -31.5 33.7 64.2 86.5 6 15 A I H X S+ 0 0 52 -4,-3.1 4,-0.9 1,-0.3 -3,-0.2 0.911 108.4 43.9 -50.7 -38.9 36.0 61.5 87.6 7 16 A V H X S+ 0 0 35 -4,-1.9 4,-3.5 -5,-0.2 -1,-0.3 0.703 108.6 57.7 -79.3 -23.6 36.7 63.9 90.4 8 17 A R H > S+ 0 0 169 -5,-0.3 4,-0.9 2,-0.2 -2,-0.2 0.935 105.5 47.8 -72.7 -48.6 33.0 64.7 90.8 9 18 A L H < S+ 0 0 127 -4,-3.1 -2,-0.2 2,-0.1 -1,-0.2 0.881 121.5 45.9 -49.9 -35.8 32.2 61.1 91.4 10 19 A L H >< S+ 0 0 24 -4,-0.9 3,-3.1 -5,-0.4 6,-0.3 0.998 96.9 61.4 -72.5 -78.1 35.1 61.5 93.8 11 20 A S H 3< S+ 0 0 90 -4,-3.5 6,-0.2 1,-0.3 -1,-0.1 0.623 101.1 55.0 -24.0 -48.4 34.8 64.7 95.8 12 21 A S T 3< S+ 0 0 116 -4,-0.9 -1,-0.3 -5,-0.2 2,-0.1 0.470 105.3 61.5 -75.3 -1.2 31.5 63.8 97.6 13 22 A X S < S- 0 0 141 -3,-3.1 4,-0.4 -4,-0.1 3,-0.3 -0.430 88.5 -88.9-123.2-167.2 32.9 60.5 99.0 14 23 A A S > S+ 0 0 56 1,-0.2 3,-0.7 2,-0.1 4,-0.2 0.991 111.7 27.2 -75.5 -73.5 35.5 58.9 101.3 15 24 A S T 3> S+ 0 0 43 1,-0.2 4,-0.6 2,-0.1 3,-0.4 0.241 95.7 104.7 -78.3 17.3 38.8 58.1 99.7 16 25 A A H >> + 0 0 4 -3,-0.3 4,-3.0 -6,-0.3 3,-1.2 0.912 66.3 60.8 -65.1 -48.5 38.1 60.8 97.2 17 26 A K H <> S+ 0 0 54 -3,-0.7 4,-0.6 -4,-0.4 -1,-0.2 0.795 110.2 42.2 -49.4 -33.4 40.5 63.4 98.6 18 27 A E H 34 S+ 0 0 12 -3,-0.4 -1,-0.3 -4,-0.2 4,-0.2 0.571 119.3 41.6 -97.7 -12.7 43.5 61.2 98.0 19 28 A I H X S+ 0 0 20 -4,-3.0 3,-0.8 1,-0.3 4,-0.6 0.862 105.5 57.4 -56.9 -35.8 41.2 63.0 92.9 21 30 A Q H >X S+ 0 0 36 -4,-0.6 4,-1.8 -5,-0.5 3,-1.0 0.881 100.1 57.0 -60.2 -39.2 44.6 64.4 93.8 22 31 A Y H 34 S+ 0 0 30 -3,-0.3 -1,-0.3 1,-0.2 4,-0.2 0.727 106.9 50.2 -62.6 -21.1 46.1 61.6 91.8 23 32 A L H << S+ 0 0 53 -3,-0.8 4,-0.3 -4,-0.8 -1,-0.2 0.549 110.5 47.8 -96.3 -9.7 44.0 62.8 88.8 24 33 A K H << S+ 0 0 134 -3,-1.0 -2,-0.2 -4,-0.6 -3,-0.1 0.717 107.8 52.0 -99.5 -28.1 45.2 66.4 89.1 25 34 A R S < S+ 0 0 110 -4,-1.8 -2,-0.1 1,-0.1 -3,-0.1 0.540 123.8 28.0 -87.6 -7.7 48.9 65.9 89.4 26 35 A F S S+ 0 0 36 -4,-0.2 -1,-0.1 -5,-0.2 -2,-0.1 0.501 83.8 123.0-128.8 -12.5 49.1 63.7 86.3 27 36 A S S S+ 0 0 33 -4,-0.3 -4,-0.0 -24,-0.0 -3,-0.0 -0.294 75.9 20.6 -56.5 140.3 46.2 64.8 84.1 28 37 A Q S S+ 0 0 170 1,-0.1 3,-0.1 2,-0.1 2,-0.0 0.831 78.3 123.2 55.7 115.3 47.6 65.9 80.7 29 38 A L S S- 0 0 88 1,-0.4 -1,-0.1 0, 0.0 4,-0.1 -0.112 77.0 -53.4 162.5 89.6 51.1 64.4 80.0 30 39 A D - 0 0 99 2,-0.1 -1,-0.4 1,-0.1 -2,-0.1 0.342 48.4-120.6 46.3 169.6 51.5 62.3 76.8 31 40 A A S > S+ 0 0 45 130,-0.2 3,-0.7 -3,-0.1 33,-0.3 0.788 108.5 54.1-102.5 -54.6 49.2 59.3 76.1 32 41 A K T 3 S+ 0 0 23 129,-0.3 2,-1.3 1,-0.3 34,-0.1 0.847 96.5 72.7 -46.1 -38.8 51.8 56.5 75.9 33 42 A R T 3 S+ 0 0 43 165,-0.1 -1,-0.3 -4,-0.1 167,-0.1 -0.103 81.2 86.5 -77.9 40.0 52.9 57.7 79.3 34 43 A F S < S- 0 0 14 -2,-1.3 165,-1.3 -3,-0.7 -2,-0.1 0.264 93.7 -13.9 -99.1-122.9 49.7 56.2 80.9 35 44 A A - 0 0 0 163,-0.2 -1,-0.4 -4,-0.1 166,-0.1 0.069 43.3-160.0 -69.8-177.5 49.6 52.6 82.0 36 45 A V - 0 0 0 29,-0.1 2,-3.4 -3,-0.1 157,-0.1 -0.218 16.4-169.8-158.2 54.4 52.1 49.8 81.0 37 46 A V - 0 0 0 1,-0.1 31,-0.6 30,-0.1 2,-0.1 -0.112 3.5-167.0 -58.8 58.3 49.9 46.8 81.7 38 47 A K - 0 0 12 -2,-3.4 166,-0.4 29,-0.2 31,-0.2 -0.194 13.6-180.0 -45.0 109.5 52.5 44.0 81.4 39 48 A V - 0 0 7 164,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.074 12.7-136.6 -97.5-150.7 50.6 40.6 81.2 40 49 A G >> - 0 0 22 29,-0.1 3,-1.9 1,-0.0 4,-1.2 -0.978 26.4-101.0-173.2 154.3 51.6 37.0 80.9 41 50 A G H 3> S+ 0 0 6 -2,-0.3 4,-1.8 1,-0.3 5,-0.2 0.634 112.0 61.9 -63.2 -20.5 50.8 33.7 79.2 42 51 A A H 34 S+ 0 0 52 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.575 111.0 40.7 -80.3 -6.3 48.9 32.1 82.1 43 52 A V H <> S+ 0 0 6 -3,-1.9 4,-0.7 3,-0.2 -2,-0.2 0.604 115.2 50.3-117.1 -24.0 46.3 34.9 81.9 44 53 A L H < S+ 0 0 10 -4,-1.2 -2,-0.2 2,-0.1 -3,-0.2 0.961 113.1 45.3 -73.4 -68.4 46.2 35.0 78.1 45 54 A R T < S+ 0 0 165 -4,-1.8 3,-0.2 1,-0.1 -3,-0.2 0.825 126.1 31.7 -39.4 -45.2 45.8 31.2 77.8 46 55 A D T 4 S+ 0 0 127 1,-0.2 2,-0.7 -4,-0.2 -3,-0.2 0.978 126.2 17.2 -90.1 -71.4 43.1 31.2 80.5 47 56 A D < + 0 0 63 -4,-0.7 4,-0.2 -5,-0.2 -1,-0.2 -0.883 63.6 141.2-114.0 105.0 41.0 34.4 80.8 48 57 A L > + 0 0 24 -2,-0.7 4,-2.3 -3,-0.2 5,-0.4 0.732 62.6 68.9-112.2 -36.1 41.1 36.7 77.7 49 58 A E H > S+ 0 0 147 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.918 113.2 36.3 -46.6 -42.7 37.5 37.9 77.4 50 59 A A H > S+ 0 0 22 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.757 112.1 57.3 -88.6 -27.4 38.2 39.9 80.6 51 60 A L H 4 S+ 0 0 0 -4,-0.2 4,-0.5 -8,-0.2 -1,-0.2 0.780 119.1 34.0 -67.7 -29.7 41.8 40.7 79.9 52 61 A T H X S+ 0 0 4 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.702 110.6 62.0 -99.2 -26.3 40.7 42.4 76.7 53 62 A S H X S+ 0 0 63 -4,-1.4 4,-1.0 -5,-0.4 -2,-0.2 0.726 111.5 41.7 -70.1 -20.4 37.4 43.7 78.0 54 63 A S H X S+ 0 0 15 -4,-0.9 4,-1.3 2,-0.2 -1,-0.2 0.724 110.7 54.4 -95.6 -28.0 39.3 45.7 80.5 55 64 A L H > S+ 0 0 0 -4,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.885 106.6 54.2 -74.4 -39.4 42.0 46.8 78.1 56 65 A S H X S+ 0 0 3 -4,-2.3 4,-1.6 1,-0.2 5,-0.3 0.985 100.6 62.2 -41.0 -74.5 39.3 48.1 75.8 57 66 A F H < S+ 0 0 107 -4,-1.0 3,-0.4 1,-0.3 4,-0.2 0.642 107.8 38.3 -31.1 -59.2 37.9 50.2 78.6 58 67 A L H >X S+ 0 0 2 -4,-1.3 3,-3.4 1,-0.2 4,-2.2 0.995 117.3 48.2 -56.1 -67.2 40.9 52.4 79.2 59 68 A Q H 3< S+ 0 0 18 -4,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.636 108.0 59.0 -54.5 -14.5 41.9 52.8 75.5 60 69 A E T 3< S+ 0 0 120 -4,-1.6 -1,-0.3 -3,-0.4 -2,-0.2 0.389 112.5 36.6 -99.1 4.6 38.3 53.6 74.7 61 70 A V T <4 S- 0 0 67 -3,-3.4 -2,-0.2 -5,-0.3 -3,-0.1 0.572 129.4 -85.5-115.7 -31.0 38.1 56.6 77.0 62 71 A G S < S+ 0 0 44 -4,-2.2 2,-0.7 1,-0.3 -3,-0.2 -0.085 95.3 109.1 155.7 -42.6 41.7 57.9 76.5 63 72 A L - 0 0 57 -5,-0.5 -1,-0.3 -6,-0.1 -2,-0.2 -0.501 58.2-153.3 -67.6 107.5 44.0 56.0 78.8 64 73 A T - 0 0 10 -2,-0.7 -30,-0.3 -33,-0.3 -1,-0.1 -0.697 4.5-142.4 -99.9 95.2 45.9 53.8 76.3 65 74 A P - 0 0 0 0, 0.0 2,-0.3 0, 0.0 -29,-0.1 -0.194 5.0-154.4 -45.8 129.9 47.3 50.6 77.8 66 75 A I - 0 0 0 100,-0.2 103,-0.1 -34,-0.1 -28,-0.1 -0.423 27.3-154.9-109.4 62.7 50.6 50.0 76.3 67 76 A V - 0 0 0 -2,-0.3 102,-1.6 -30,-0.1 -29,-0.2 0.359 20.0-167.1 -33.3 154.8 50.4 46.2 76.9 68 77 A L + 0 0 1 -31,-0.6 102,-0.1 100,-0.2 121,-0.1 -0.365 13.4 178.1-151.2 64.6 53.4 43.9 77.2 69 78 A H - 0 0 1 100,-0.4 102,-0.3 -31,-0.2 -29,-0.1 0.230 15.2-176.1 -59.3-174.9 52.6 40.1 77.0 70 79 A G - 0 0 18 100,-0.1 115,-0.1 37,-0.0 -29,-0.1 0.250 17.8-152.9-175.5 24.6 55.0 37.1 77.2 71 80 A A + 0 0 0 1,-0.1 39,-0.1 36,-0.1 40,-0.1 0.299 33.2 149.0 -23.8 108.7 53.1 33.8 76.7 72 81 A G > + 0 0 17 3,-0.1 4,-2.3 2,-0.1 -1,-0.1 0.675 56.5 62.3-122.3 -30.3 55.0 31.0 78.4 73 82 A P H > S+ 0 0 59 0, 0.0 4,-0.5 0, 0.0 -31,-0.1 0.935 114.5 38.7 -63.9 -42.7 52.7 28.3 79.7 74 83 A Q H >> S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 3,-0.9 0.894 114.1 54.0 -76.3 -44.2 51.5 27.5 76.2 75 84 A L H 3> S+ 0 0 4 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.925 102.8 58.4 -47.1 -52.3 55.0 28.0 74.7 76 85 A D H 3X S+ 0 0 43 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.716 112.7 41.0 -58.7 -23.6 56.3 25.5 77.2 77 86 A A H XX S+ 0 0 56 -3,-0.9 4,-1.0 -4,-0.5 3,-0.8 0.920 111.7 50.4 -84.6 -58.5 53.9 23.0 75.8 78 87 A E H 3< S+ 0 0 125 -4,-2.7 4,-0.3 1,-0.3 -2,-0.2 0.630 111.3 55.4 -55.2 -13.7 54.2 23.7 72.0 79 88 A L H 3X S+ 0 0 12 -4,-1.4 4,-1.4 -5,-0.3 3,-0.5 0.852 104.0 48.1 -90.2 -39.5 57.9 23.4 72.5 80 89 A S H << S+ 0 0 61 -3,-0.8 -2,-0.2 -4,-0.6 4,-0.2 0.528 89.6 83.7 -83.4 -6.7 58.1 19.9 74.1 81 90 A A T < S+ 0 0 83 -4,-1.0 -1,-0.2 1,-0.2 -2,-0.1 0.935 111.7 21.6 -59.7 -47.1 55.8 18.4 71.5 82 91 A A T 4 S- 0 0 93 -3,-0.5 -2,-0.2 -4,-0.3 -1,-0.2 0.738 124.4-133.3 -86.6 -31.0 58.9 18.0 69.2 83 92 A G S < S+ 0 0 22 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 -0.508 70.5 123.5 113.4-176.3 61.0 18.2 72.3 84 93 A I + 0 0 115 -4,-0.2 2,-0.8 -2,-0.2 12,-0.1 0.708 42.4 137.1 86.0 28.4 64.1 19.8 73.8 85 94 A E + 0 0 73 -5,-0.1 2,-0.3 -8,-0.1 -1,-0.1 -0.578 41.0 92.4-103.2 67.7 62.3 21.3 76.8 86 95 A K + 0 0 176 -2,-0.8 2,-0.1 1,-0.1 7,-0.0 -0.904 51.8 57.2-164.0 135.3 64.8 20.5 79.5 87 96 A Q - 0 0 135 -2,-0.3 7,-0.2 1,-0.1 -1,-0.1 0.147 32.8-179.5 109.0 125.9 67.7 22.4 81.1 88 97 A T - 0 0 89 5,-0.1 6,-0.1 1,-0.1 -1,-0.1 -0.229 14.8-174.0-145.0 46.1 67.5 25.8 82.8 89 98 A V + 0 0 104 2,-0.1 -1,-0.1 53,-0.0 5,-0.1 0.552 61.9 18.7 -16.8 -72.2 71.1 26.2 83.8 90 99 A N S S- 0 0 101 3,-0.5 53,-0.0 1,-0.0 0, 0.0 -0.166 115.5 -62.2 -93.8-170.6 71.0 29.5 85.9 91 100 A G S S+ 0 0 71 -2,-0.1 -2,-0.1 0, 0.0 2,-0.0 0.620 128.0 42.9 -50.1 -11.0 68.0 31.2 87.6 92 101 A L S S- 0 0 62 1,-0.2 2,-0.1 -4,-0.1 92,-0.0 0.102 92.8 -93.1-112.9-135.3 66.7 31.5 84.0 93 102 A R - 0 0 96 -4,-0.1 -3,-0.5 -2,-0.0 2,-0.2 -0.076 20.1-122.5-124.7-147.4 66.5 29.2 81.0 94 103 A V - 0 0 40 -7,-0.2 2,-0.3 -6,-0.1 50,-0.2 -0.860 18.3-170.4-168.9 145.4 68.3 28.1 77.7 95 104 A T B -a 144 0A 16 48,-2.2 50,-2.4 -2,-0.2 48,-0.1 -1.000 5.6-155.9-147.0 145.9 67.4 28.0 74.0 96 105 A S >> - 0 0 30 -2,-0.3 4,-1.9 48,-0.2 3,-1.1 -0.650 35.6 -97.1-112.4 168.7 68.7 26.6 70.7 97 106 A P H 3> S+ 0 0 90 0, 0.0 4,-1.4 0, 0.0 3,-0.1 0.933 122.7 48.0 -48.5 -65.2 68.3 27.5 67.0 98 107 A H H 34 S+ 0 0 132 1,-0.2 0, 0.0 2,-0.1 0, 0.0 0.278 117.7 56.3 -64.8 22.8 65.6 25.0 66.0 99 108 A A H X> S+ 0 0 6 -3,-1.1 4,-1.8 2,-0.2 3,-1.5 0.761 93.9 50.2-128.5 -54.9 64.1 26.5 69.1 100 109 A L H >X S+ 0 0 10 -4,-1.9 4,-2.5 1,-0.3 3,-1.2 0.980 106.8 69.3 -43.2 -54.1 63.7 30.3 69.1 101 110 A A H 3X S+ 0 0 35 -4,-1.4 4,-0.5 1,-0.3 -1,-0.3 0.754 101.0 41.8 -25.8 -45.6 62.2 29.1 65.9 102 111 A I H <> S+ 0 0 49 -3,-1.5 4,-1.4 2,-0.2 -1,-0.3 0.813 116.0 47.3 -83.4 -31.9 59.4 27.6 68.0 103 112 A V H XX S+ 0 0 2 -4,-1.8 4,-4.2 -3,-1.2 3,-1.0 0.989 105.9 56.7 -69.1 -57.2 59.1 30.5 70.4 104 113 A R H 3X S+ 0 0 110 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.736 110.2 47.7 -47.3 -29.2 59.0 33.2 67.8 105 114 A K H 3X S+ 0 0 117 -4,-0.5 4,-3.8 -5,-0.5 -1,-0.3 0.872 116.3 42.0 -80.9 -38.9 56.0 31.4 66.3 106 115 A V H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 3,-1.2 0.997 109.1 55.1 -63.7 -65.6 45.5 39.2 71.4 115 124 A V H 3X S+ 0 0 6 -4,-2.3 4,-1.2 1,-0.3 10,-0.5 0.714 113.3 46.3 -48.9 -23.6 45.7 42.0 68.9 116 125 A E H 3X S+ 0 0 98 -4,-2.3 4,-2.9 2,-0.2 -1,-0.3 0.887 105.0 55.7 -82.9 -42.0 42.7 40.5 67.2 117 126 A A H S+ 0 0 0 -4,-1.9 5,-3.7 2,-0.2 4,-1.1 0.963 112.1 45.4 -65.3 -55.7 40.8 43.5 71.1 119 128 A Q H <5S+ 0 0 101 -4,-1.2 -2,-0.2 -5,-0.3 -3,-0.1 0.812 115.7 49.1 -58.7 -32.4 39.9 44.6 67.5 120 129 A Q H <5S+ 0 0 150 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.918 108.4 50.9 -70.1 -46.9 37.0 42.1 67.6 121 130 A N H <5S- 0 0 85 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.559 132.9 -89.0 -71.8 -11.2 35.7 43.3 71.0 122 131 A G T <5S+ 0 0 53 -4,-1.1 -3,-0.2 -3,-0.1 -2,-0.1 0.381 91.8 116.7 124.6 4.5 35.7 46.8 69.7 123 132 A A < - 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0 0 37 0, 0.0 -1,-0.4 0, 0.0 -58,-0.0 0.163 52.9-101.7 -69.5-147.0 59.0 59.7 89.8 256 265 A L S S+ 0 0 49 2,-0.1 28,-0.3 -3,-0.1 29,-0.3 0.758 115.0 63.4 -99.3 -41.1 57.6 59.2 93.3 257 266 A E S S+ 0 0 33 26,-0.1 -1,-0.0 27,-0.1 -58,-0.0 0.451 82.5 97.3 -67.7 -4.1 53.9 59.2 92.3 258 267 A S + 0 0 2 -7,-0.1 -57,-0.1 -60,-0.1 -58,-0.1 0.733 51.9 179.4 -55.8-128.9 54.2 56.1 90.1 259 268 A S - 0 0 2 -59,-0.1 -58,-0.5 -12,-0.1 24,-0.2 0.496 25.5-131.1 124.9 103.8 53.2 52.7 91.6 260 269 A V B -F 282 0F 0 22,-0.9 22,-0.5 -13,-0.2 -58,-0.2 0.271 21.3-170.7 -48.9-167.7 53.1 49.1 90.5 261 270 A S - 0 0 0 -60,-0.3 2,-0.2 20,-0.2 20,-0.2 0.359 11.2-157.0 172.1 43.3 49.9 47.1 91.2 262 271 A I + 0 0 11 18,-0.2 18,-0.4 -61,-0.1 -52,-0.2 0.015 39.4 146.8 -42.7 94.7 49.8 43.3 90.7 263 272 A T - 0 0 0 16,-0.2 -58,-1.4 -2,-0.2 -54,-0.2 -0.428 48.7 -94.7-120.7-172.9 46.1 42.6 90.2 264 273 A R > - 0 0 90 -56,-0.2 4,-1.1 -60,-0.2 3,-0.2 -0.784 32.6-120.7-104.9 160.7 43.6 40.4 88.3 265 274 A P T 4 S+ 0 0 3 0, 0.0 3,-0.5 0, 0.0 4,-0.4 0.899 109.3 55.0 -72.6 -46.0 42.0 41.4 85.0 266 275 A A T 4 S+ 0 0 58 1,-0.3 3,-0.3 2,-0.1 4,-0.3 0.848 117.4 42.3 -52.5 -31.5 38.4 41.3 85.8 267 276 A D T > S+ 0 0 21 -3,-0.2 4,-1.9 1,-0.2 3,-0.4 0.696 80.8 106.9 -87.0 -25.0 39.4 43.7 88.6 268 277 A L H X S+ 0 0 0 -4,-1.1 4,-2.0 -3,-0.5 -1,-0.2 0.711 83.6 46.6 -29.6 -49.3 41.8 45.9 86.5 269 278 A A H >> S+ 0 0 38 -4,-0.4 4,-0.6 -3,-0.3 3,-0.6 0.990 110.3 51.3 -58.4 -62.6 39.2 48.7 86.5 270 279 A K H >> S+ 0 0 121 -3,-0.4 3,-0.7 -4,-0.3 4,-0.7 0.851 113.2 48.9 -38.8 -43.2 38.5 48.5 90.2 271 280 A E H 3< S+ 0 0 7 -4,-1.9 3,-0.4 1,-0.2 5,-0.3 0.898 110.6 46.5 -70.4 -41.1 42.2 48.7 90.8 272 281 A L H << S+ 0 0 22 -4,-2.0 -1,-0.2 -3,-0.6 -2,-0.2 0.240 123.4 31.9 -93.5 13.2 43.1 51.6 88.6 273 282 A F H << S+ 0 0 73 -3,-0.7 2,-0.4 -4,-0.6 -1,-0.2 0.260 109.0 72.2-146.9 5.5 40.3 53.9 89.9 274 283 A T S < S- 0 0 54 -4,-0.7 2,-2.4 -3,-0.4 -1,-0.1 -0.980 73.2-131.6-130.9 143.2 39.9 52.8 93.5 275 284 A H S S+ 0 0 68 -2,-0.4 -4,-0.1 1,-0.1 -3,-0.1 -0.340 112.5 30.3 -72.0 52.3 41.8 53.2 96.7 276 285 A K > + 0 0 119 -2,-2.4 3,-0.7 -6,-0.3 2,-0.3 -0.132 64.6 146.6-171.0 -93.6 41.0 49.5 96.8 277 286 A G T 3 S- 0 0 0 -7,-0.3 -6,-0.1 1,-0.2 -7,-0.1 -0.532 70.5 -87.8 66.3-126.6 40.7 47.3 93.7 278 287 A S T 3 S+ 0 0 32 -2,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.071 92.6 96.5-166.8 34.6 42.0 43.8 94.6 279 288 A G S < S- 0 0 0 -3,-0.7 -16,-0.2 -16,-0.1 -70,-0.2 -0.972 83.4-100.9-134.1 121.7 45.7 44.0 93.9 280 289 A T - 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