==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN, SUGAR BINDING PROTEIN 09-APR-08 3CSB . COMPND 2 MOLECULE: MALTOSE-BINDING PROTEIN MONOBODY YSX1 FUSION; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, SYNTHETIC; . AUTHOR R.N.GILBRETH,S.KOIDE . 464 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 81 17.5 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 121 26.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.9 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 2 1 1 1 1 2 3 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 0 PARALLEL BRIDGES PER LADDER . 3 3 1 3 3 2 0 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 1 1 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 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 4 A T 0 0 127 0, 0.0 266,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 -5.3 32.2 -57.6 -15.8 2 5 A G + 0 0 53 28,-0.0 29,-0.8 2,-0.0 2,-0.2 0.476 360.0 19.6 -85.9 0.5 34.8 -56.7 -18.5 3 6 A K E -a 31 0A 98 27,-0.2 2,-0.4 29,-0.0 29,-0.2 -0.784 69.8-104.8-156.0 177.6 32.5 -54.3 -20.3 4 7 A L E -a 32 0A 0 27,-2.5 29,-3.1 -2,-0.2 2,-0.5 -0.992 20.6-164.9-128.9 123.6 29.5 -51.9 -20.6 5 8 A V E -a 33 0A 15 -2,-0.4 50,-2.0 27,-0.2 51,-1.8 -0.935 13.0-165.9-104.6 126.9 26.4 -52.8 -22.6 6 9 A I E -ab 34 56A 0 27,-3.1 29,-3.3 -2,-0.5 2,-0.5 -0.949 8.3-157.8-114.8 132.9 24.2 -49.8 -23.4 7 10 A W E +ab 35 57A 14 49,-2.5 51,-2.6 -2,-0.4 2,-0.3 -0.947 22.7 158.9-105.6 129.8 20.5 -49.9 -24.6 8 11 A I - 0 0 4 27,-2.1 51,-0.1 -2,-0.5 6,-0.0 -0.986 45.8 -90.3-143.7 150.6 19.2 -46.8 -26.4 9 12 A N > - 0 0 41 49,-0.4 3,-1.7 -2,-0.3 5,-0.2 -0.267 34.8-120.9 -62.9 147.9 16.2 -46.4 -28.8 10 13 A G T 3 S+ 0 0 42 1,-0.3 -1,-0.1 27,-0.3 4,-0.1 0.527 108.5 61.7 -71.8 -8.1 16.9 -46.8 -32.5 11 14 A D T 3 S+ 0 0 98 2,-0.1 -1,-0.3 3,-0.0 2,-0.1 0.515 91.8 87.8 -94.2 -0.9 15.8 -43.3 -33.5 12 15 A K S < S- 0 0 73 -3,-1.7 2,-2.5 1,-0.1 3,-0.3 -0.367 99.9 -89.7 -93.6 168.8 18.5 -41.8 -31.3 13 16 A G > + 0 0 1 281,-0.4 4,-2.2 1,-0.2 3,-0.2 -0.331 62.5 153.7 -76.7 60.6 22.1 -40.9 -32.2 14 17 A Y H > + 0 0 60 -2,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.726 69.7 55.5 -66.3 -20.8 23.4 -44.4 -31.2 15 18 A N H > S+ 0 0 94 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.887 108.0 48.2 -78.6 -36.1 26.4 -44.1 -33.6 16 19 A G H > S+ 0 0 1 274,-0.3 4,-1.5 -3,-0.2 274,-0.3 0.933 111.7 50.7 -60.8 -43.7 27.4 -40.9 -31.9 17 20 A L H X S+ 0 0 1 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.873 105.8 55.7 -63.4 -37.1 27.0 -42.6 -28.6 18 21 A A H X S+ 0 0 21 -4,-1.8 4,-1.8 1,-0.2 -1,-0.2 0.874 102.9 56.0 -61.5 -39.1 29.2 -45.5 -29.9 19 22 A E H X S+ 0 0 104 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.866 107.3 48.4 -56.0 -43.2 32.0 -42.9 -30.7 20 23 A V H X S+ 0 0 10 -4,-1.5 4,-1.7 2,-0.2 -2,-0.2 0.890 109.8 53.3 -62.8 -41.8 31.9 -41.8 -27.0 21 24 A G H X S+ 0 0 1 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.845 107.0 51.8 -60.3 -37.2 32.1 -45.5 -26.1 22 25 A K H X S+ 0 0 128 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.864 107.9 50.8 -69.5 -37.4 35.2 -45.9 -28.3 23 26 A K H X S+ 0 0 119 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.846 110.2 50.5 -66.5 -34.6 36.9 -42.9 -26.6 24 27 A F H X S+ 0 0 0 -4,-1.7 4,-1.1 2,-0.2 6,-0.5 0.879 109.7 50.1 -67.6 -40.7 36.1 -44.5 -23.2 25 28 A E H >X S+ 0 0 51 -4,-1.8 4,-3.1 1,-0.2 3,-0.5 0.910 108.1 54.2 -64.6 -41.1 37.6 -47.8 -24.4 26 29 A K H 3< S+ 0 0 148 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.812 114.4 40.4 -61.9 -31.6 40.7 -45.9 -25.5 27 30 A D H 3< S+ 0 0 79 -4,-1.2 -1,-0.2 3,-0.1 -2,-0.2 0.593 135.1 15.0 -91.3 -13.0 41.2 -44.4 -22.1 28 31 A T H << S- 0 0 54 -4,-1.1 -3,-0.2 -3,-0.5 -2,-0.2 0.487 89.3-121.8-139.5 -14.9 40.3 -47.5 -19.9 29 32 A G < + 0 0 61 -4,-3.1 2,-0.5 -5,-0.3 -4,-0.2 0.564 67.5 135.5 68.5 10.1 40.4 -50.6 -22.1 30 33 A I - 0 0 31 -6,-0.5 2,-0.4 -5,-0.1 -1,-0.3 -0.794 55.2-130.0 -87.8 128.3 36.7 -51.3 -21.2 31 34 A K E -a 3 0A 123 -29,-0.8 -27,-2.5 -2,-0.5 2,-0.6 -0.659 17.9-156.9 -82.5 128.8 34.7 -52.3 -24.3 32 35 A V E -a 4 0A 16 -2,-0.4 2,-0.6 -11,-0.2 -27,-0.2 -0.923 5.9-166.3-110.7 114.6 31.4 -50.3 -24.7 33 36 A T E -a 5 0A 52 -29,-3.1 -27,-3.1 -2,-0.6 2,-0.7 -0.891 4.8-157.3-104.9 120.7 28.7 -52.0 -26.7 34 37 A V E -a 6 0A 24 -2,-0.6 2,-0.3 -29,-0.2 -27,-0.2 -0.826 15.7-179.9-100.0 113.2 25.8 -49.8 -27.9 35 38 A E E -a 7 0A 72 -29,-3.3 -27,-2.1 -2,-0.7 -2,-0.0 -0.796 17.9-169.6-112.1 158.7 22.6 -51.8 -28.7 36 39 A H + 0 0 74 -2,-0.3 -26,-0.2 -29,-0.2 -29,-0.1 -0.378 16.4 177.2-144.9 56.5 19.3 -50.5 -29.9 37 40 A P > - 0 0 30 0, 0.0 3,-0.8 0, 0.0 -27,-0.3 -0.215 35.2-109.1 -61.2 149.6 16.7 -53.3 -29.8 38 41 A D T 3 S+ 0 0 113 1,-0.2 5,-0.1 2,-0.1 -29,-0.0 -0.464 103.7 20.2 -69.7 156.7 13.1 -52.6 -30.7 39 42 A K T >> S+ 0 0 109 1,-0.1 4,-2.2 -2,-0.1 3,-1.3 0.799 78.4 154.8 55.3 31.5 10.7 -52.6 -27.8 40 43 A L H <> + 0 0 0 -3,-0.8 4,-2.7 1,-0.3 -1,-0.1 0.847 64.9 59.2 -61.7 -30.0 13.6 -52.1 -25.4 41 44 A E H 34 S+ 0 0 45 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.725 110.9 42.0 -72.9 -22.7 11.4 -50.5 -22.8 42 45 A E H <> S+ 0 0 117 -3,-1.3 4,-0.6 2,-0.1 -1,-0.2 0.765 115.7 50.4 -84.3 -36.0 9.3 -53.7 -22.6 43 46 A K H >X S+ 0 0 86 -4,-2.2 4,-1.9 1,-0.2 3,-1.1 0.892 95.3 70.9 -68.8 -41.1 12.4 -56.0 -22.7 44 47 A F H >X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.3 3,-0.5 0.879 97.4 47.4 -47.5 -55.5 14.4 -54.3 -20.0 45 48 A P H 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 4,-0.3 0.803 113.8 50.7 -62.5 -24.4 12.2 -55.5 -17.1 46 49 A Q H << S+ 0 0 158 -3,-1.1 -2,-0.2 -4,-0.6 -3,-0.1 0.798 123.4 26.2 -77.7 -31.9 12.2 -59.0 -18.5 47 50 A V H << S+ 0 0 52 -4,-1.9 6,-0.3 -3,-0.5 -3,-0.2 0.558 88.7 104.2-108.7 -10.3 16.0 -59.4 -19.0 48 51 A A < + 0 0 2 -4,-2.4 2,-0.6 -5,-0.3 5,-0.5 0.859 67.6 68.1 -42.8 -64.1 17.5 -56.9 -16.4 49 52 A A S S- 0 0 77 -4,-0.3 -1,-0.2 3,-0.1 2,-0.1 -0.896 115.1 -49.6-107.7 108.7 18.7 -59.5 -13.7 50 53 A T S > S+ 0 0 94 -2,-0.6 3,-1.3 1,-0.2 216,-0.1 -0.258 103.0 71.3-118.8 -73.9 20.8 -60.8 -15.0 51 54 A G T 3 S- 0 0 65 1,-0.2 2,-0.6 -2,-0.1 -1,-0.2 0.040 113.4 -17.5 32.2-130.3 21.6 -62.6 -18.3 52 55 A D T 3 S+ 0 0 135 -3,-0.1 -1,-0.2 2,-0.0 -4,-0.1 -0.511 90.5 131.8-107.5 64.3 21.9 -60.1 -21.2 53 56 A G < - 0 0 12 -3,-1.3 2,-0.1 -2,-0.6 -48,-0.1 -0.618 62.6 -97.9 -88.5 162.6 20.2 -57.0 -19.8 54 57 A P - 0 0 0 0, 0.0 -48,-0.2 0, 0.0 210,-0.1 -0.412 10.0-136.7 -81.1 162.4 22.2 -53.8 -20.3 55 58 A D S S+ 0 0 13 -50,-2.0 209,-2.5 1,-0.2 2,-0.4 0.825 96.9 28.0 -74.1 -37.6 24.4 -52.1 -17.8 56 59 A I E S-bC 6 263A 0 -51,-1.8 -49,-2.5 207,-0.2 2,-0.4 -0.971 70.2-165.3-129.1 138.0 22.9 -48.7 -18.8 57 60 A I E -bC 7 262A 0 205,-2.7 205,-3.0 -2,-0.4 2,-0.5 -0.996 5.5-156.6-129.2 132.4 19.4 -48.0 -20.3 58 61 A F E + C 0 261A 6 -51,-2.6 -49,-0.4 -2,-0.4 2,-0.3 -0.915 35.3 128.3-107.2 123.5 18.4 -44.7 -22.0 59 62 A W E - C 0 260A 40 201,-2.2 201,-2.4 -2,-0.5 5,-0.1 -0.983 64.6 -65.8-160.3 163.2 14.6 -43.9 -22.1 60 63 A A E > - C 0 259A 33 -2,-0.3 3,-1.6 199,-0.2 4,-0.5 -0.321 51.8-121.3 -47.3 135.3 12.1 -41.2 -21.3 61 64 A H G >> S+ 0 0 1 197,-2.1 3,-0.9 1,-0.3 4,-0.6 0.724 102.9 76.8 -58.8 -22.2 12.1 -40.6 -17.5 62 65 A D G 34 S+ 0 0 44 1,-0.3 4,-0.4 2,-0.2 3,-0.3 0.776 94.1 49.8 -67.0 -22.2 8.4 -41.5 -17.2 63 66 A R G <> S+ 0 0 129 -3,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.693 95.0 73.3 -82.6 -21.3 9.1 -45.3 -17.6 64 67 A F H <> S+ 0 0 1 -3,-0.9 4,-2.8 -4,-0.5 -1,-0.2 0.731 84.7 66.2 -68.5 -24.0 11.9 -45.2 -14.9 65 68 A G H X S+ 0 0 0 -4,-0.6 4,-2.8 -3,-0.3 -1,-0.2 0.958 104.6 43.6 -57.1 -54.3 9.3 -44.9 -12.2 66 69 A G H > S+ 0 0 36 -4,-0.4 4,-1.5 -3,-0.2 -2,-0.2 0.908 113.4 51.7 -57.3 -44.2 8.0 -48.4 -12.9 67 70 A Y H <>S+ 0 0 12 -4,-1.7 5,-2.5 1,-0.2 6,-0.3 0.929 112.1 46.5 -58.5 -45.7 11.5 -49.7 -13.2 68 71 A A H ><5S+ 0 0 19 -4,-2.8 3,-2.3 1,-0.2 -2,-0.2 0.917 107.1 55.6 -64.4 -45.5 12.4 -48.2 -9.8 69 72 A Q H 3<5S+ 0 0 93 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.829 109.2 51.0 -51.9 -33.4 9.2 -49.5 -8.2 70 73 A S T 3<5S- 0 0 87 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.326 116.9-116.3 -86.3 2.6 10.4 -53.0 -9.4 71 74 A G T < 5S+ 0 0 49 -3,-2.3 -3,-0.2 -5,-0.1 -2,-0.1 0.736 78.0 126.8 65.3 28.6 13.9 -52.5 -7.9 72 75 A L < + 0 0 28 -5,-2.5 193,-3.0 -6,-0.2 2,-0.4 0.602 54.1 69.8 -92.0 -13.9 15.6 -52.6 -11.4 73 76 A L B S-F 264 0B 15 -6,-0.3 191,-0.2 191,-0.3 2,-0.1 -0.900 75.2-129.6-113.0 137.3 17.5 -49.3 -11.1 74 77 A A - 0 0 12 189,-2.8 2,-0.4 -2,-0.4 189,-0.4 -0.470 30.0-111.1 -73.4 147.0 20.5 -48.5 -9.0 75 78 A E - 0 0 120 -2,-0.1 26,-0.2 190,-0.1 2,-0.2 -0.688 40.3-134.3 -73.2 131.1 20.4 -45.3 -6.8 76 79 A I - 0 0 9 24,-2.2 24,-0.3 -2,-0.4 26,-0.1 -0.632 12.1-153.4 -94.0 158.4 22.9 -43.1 -8.4 77 80 A T + 0 0 96 -2,-0.2 2,-0.2 24,-0.1 -1,-0.0 -0.441 20.5 168.6-129.8 56.3 25.5 -41.1 -6.5 78 81 A P - 0 0 8 0, 0.0 22,-0.1 0, 0.0 -2,-0.0 -0.542 32.8-125.8 -69.8 141.7 26.6 -37.9 -8.3 79 82 A D > - 0 0 100 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.211 30.0 -95.6 -77.8 173.3 28.7 -35.5 -6.2 80 83 A K H > S+ 0 0 145 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.849 123.2 54.8 -60.8 -39.9 27.8 -31.9 -5.7 81 84 A A H 4 S+ 0 0 59 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.932 112.3 44.1 -63.8 -46.0 30.1 -30.6 -8.4 82 85 A F H >4 S+ 0 0 6 1,-0.2 3,-2.1 2,-0.2 4,-0.5 0.937 109.9 55.1 -61.2 -47.1 28.4 -33.0 -10.9 83 86 A Q H >< S+ 0 0 63 -4,-2.8 3,-1.2 1,-0.3 -2,-0.2 0.880 103.2 57.5 -53.6 -38.9 24.8 -32.2 -9.7 84 87 A D T 3< S+ 0 0 93 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.615 92.8 70.3 -66.1 -15.1 25.6 -28.5 -10.4 85 88 A K T < S+ 0 0 103 -3,-2.1 217,-2.6 -4,-0.4 218,-0.4 0.703 95.0 59.2 -76.1 -20.1 26.4 -29.2 -14.0 86 89 A L B < S-G 301 0C 1 -3,-1.2 215,-0.2 -4,-0.5 214,-0.1 -0.796 101.1 -90.6-110.6 148.4 22.7 -30.0 -14.9 87 90 A Y >> - 0 0 36 213,-2.0 3,-1.7 -2,-0.3 4,-0.9 -0.405 37.9-127.7 -54.1 129.2 19.7 -27.7 -14.7 88 91 A P H >> S+ 0 0 91 0, 0.0 3,-1.0 0, 0.0 4,-0.8 0.876 105.3 59.3 -52.1 -42.7 18.1 -28.3 -11.2 89 92 A F H 34 S+ 0 0 34 1,-0.3 3,-0.3 2,-0.2 4,-0.3 0.768 97.3 60.1 -58.9 -27.3 14.7 -29.0 -12.6 90 93 A T H X4 S+ 0 0 0 -3,-1.7 3,-1.3 1,-0.2 4,-0.3 0.844 96.6 60.4 -74.1 -29.5 15.9 -31.9 -14.7 91 94 A W H X< S+ 0 0 15 -3,-1.0 3,-1.1 -4,-0.9 -1,-0.2 0.801 95.8 62.9 -64.5 -31.0 17.1 -33.7 -11.5 92 95 A D T 3< S+ 0 0 54 -4,-0.8 3,-0.5 -3,-0.3 -1,-0.3 0.642 95.7 60.6 -67.7 -13.9 13.4 -33.6 -10.3 93 96 A A T < S+ 0 0 1 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.594 103.3 49.9 -81.4 -16.0 12.5 -35.8 -13.3 94 97 A V S < S+ 0 0 1 -3,-1.1 7,-3.0 -4,-0.3 8,-0.6 0.055 84.7 106.2-120.4 23.1 14.8 -38.7 -12.2 95 98 A R E -H 100 0D 69 -3,-0.5 2,-0.4 5,-0.2 5,-0.2 -0.843 41.6-174.6 -94.6 141.8 13.8 -39.1 -8.6 96 99 A Y E > S-H 99 0D 25 3,-2.6 3,-1.6 -2,-0.4 76,-0.1 -0.965 79.6 -15.0-134.3 119.1 11.7 -42.0 -7.3 97 100 A N T 3 S- 0 0 104 -2,-0.4 75,-0.2 1,-0.3 3,-0.1 0.890 129.2 -54.5 51.2 42.6 10.7 -41.9 -3.7 98 101 A G T 3 S+ 0 0 28 73,-0.9 2,-0.4 1,-0.2 -1,-0.3 0.282 115.8 111.6 83.0 -8.4 13.2 -39.2 -3.1 99 102 A K E < S-H 96 0D 98 -3,-1.6 -3,-2.6 72,-0.0 2,-0.4 -0.812 71.0-119.6-102.9 137.2 16.2 -41.2 -4.5 100 103 A L E +H 95 0D 17 -2,-0.4 -24,-2.2 -24,-0.3 -5,-0.2 -0.601 35.2 169.8 -73.6 127.4 18.0 -40.4 -7.7 101 104 A I + 0 0 6 -7,-3.0 162,-0.4 -2,-0.4 2,-0.3 0.300 56.0 16.4-124.6 7.3 17.7 -43.2 -10.2 102 105 A A S S- 0 0 0 -8,-0.6 160,-0.2 160,-0.2 -1,-0.2 -0.981 70.1-106.5-167.6 163.8 19.0 -41.8 -13.4 103 106 A Y E -D 261 0A 1 158,-2.7 158,-2.5 -2,-0.3 2,-0.2 -0.904 35.6-124.8 -99.6 125.7 21.0 -39.1 -15.1 104 107 A P E +D 260 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.447 35.9 166.7 -63.1 132.5 19.1 -36.5 -17.1 105 108 A I E + 0 0 3 154,-3.0 195,-2.1 1,-0.4 196,-0.5 0.737 57.6 5.8-114.1 -56.8 20.3 -36.2 -20.7 106 109 A A E -DE 259 299A 7 153,-1.4 153,-1.7 193,-0.3 -1,-0.4 -0.913 60.5-143.2-139.1 159.3 17.9 -34.2 -22.9 107 110 A V E -DE 258 298A 5 191,-2.7 191,-0.8 -2,-0.3 2,-0.4 -0.976 12.6-173.5-131.4 133.6 14.7 -32.2 -22.3 108 111 A E E +D 257 0A 72 149,-2.7 149,-2.1 -2,-0.4 2,-0.3 -0.977 13.2 152.1-129.8 146.7 11.5 -31.8 -24.4 109 112 A A - 0 0 0 -2,-0.4 212,-0.1 147,-0.2 147,-0.1 -0.965 45.9 -92.4-160.8 154.3 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50.1 174.5 -86.0 90.9 9.1 -19.2 -42.6 239 242 A Y E -J 115 0E 27 -2,-1.2 2,-0.3 -124,-0.2 -124,-0.2 -0.648 25.3-162.0-107.0 156.1 8.4 -20.2 -39.0 240 243 A G E -J 114 0E 7 -126,-2.3 -126,-2.2 -2,-0.2 2,-0.4 -0.865 11.8-142.5-123.2 164.9 9.7 -19.3 -35.6 241 244 A V E +J 113 0E 11 -2,-0.3 2,-0.2 -128,-0.2 -128,-0.2 -1.000 32.5 158.7-128.2 131.0 9.5 -21.2 -32.3 242 245 A T E -J 112 0E 40 -130,-2.8 -130,-2.2 -2,-0.4 71,-0.0 -0.826 44.2 -59.8-146.4 177.9 8.9 -19.2 -29.1 243 246 A V - 0 0 39 -2,-0.2 -1,-0.1 -132,-0.2 -132,-0.1 -0.259 61.5-105.5 -61.9 142.4 7.8 -19.2 -25.4 244 247 A L - 0 0 9 -134,-0.2 8,-0.2 72,-0.2 -1,-0.1 -0.418 46.1 -94.8 -63.3 152.4 4.1 -20.2 -25.0 245 248 A P - 0 0 1 0, 0.0 7,-0.4 0, 0.0 -120,-0.3 -0.352 39.3-114.2 -69.0 156.8 1.8 -17.3 -24.2 246 249 A T B -l 125 0F 42 -122,-2.5 -120,-3.1 5,-0.2 -119,-0.4 -0.423 19.7-148.5 -83.2 161.6 1.0 -16.5 -20.6 247 250 A F B > S-N 250 0H 5 3,-2.8 3,-2.4 -122,-0.2 -59,-0.1 -0.995 82.4 -7.2-132.5 124.7 -2.5 -16.8 -19.2 248 251 A K T 3 S- 0 0 116 -2,-0.4 -1,-0.1 1,-0.3 -123,-0.0 0.862 131.7 -60.2 56.0 34.4 -3.6 -14.4 -16.4 249 252 A G T 3 S+ 0 0 57 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.459 116.4 115.6 75.9 1.4 0.0 -13.4 -16.4 250 253 A Q B < S-N 247 0H 90 -3,-2.4 -3,-2.8 1,-0.1 -1,-0.2 -0.801 71.4-103.0-106.5 146.5 1.2 -16.8 -15.6 251 254 A P - 0 0 40 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.289 37.4-106.4 -61.9 146.3 3.4 -19.1 -17.9 252 255 A S - 0 0 3 -7,-0.4 -95,-0.2 -8,-0.2 -8,-0.1 -0.419 31.4-136.9 -62.0 154.4 1.7 -22.0 -19.7 253 256 A K - 0 0 38 -97,-2.2 -94,-0.2 -98,-0.3 71,-0.2 -0.690 25.0-179.0-126.1 74.2 2.7 -25.3 -18.1 254 257 A P - 0 0 0 0, 0.0 71,-2.7 0, 0.0 2,-0.2 -0.376 37.9-101.2 -69.9 152.4 3.6 -27.9 -20.7 255 258 A F E -o 325 0I 1 -103,-0.4 2,-0.5 69,-0.2 -145,-0.4 -0.542 37.0-138.3 -69.3 143.7 4.6 -31.4 -19.5 256 259 A V E -o 326 0I 0 69,-2.1 71,-2.4 -2,-0.2 2,-0.4 -0.926 13.3-163.1-112.5 127.5 8.3 -31.9 -19.6 257 260 A G E - D 0 108A 21 -149,-2.1 -149,-2.7 -2,-0.5 2,-0.5 -0.908 5.0-162.9-104.6 135.9 9.9 -35.2 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A S < - 0 0 7 -3,-1.5 3,-0.5 -212,-0.2 -212,-0.0 -0.518 52.6-157.4 -70.6 136.4 25.0 -54.6 -13.1 268 271 A P S S+ 0 0 87 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 0.306 89.7 64.8 -85.4 7.9 28.4 -55.6 -11.7 269 272 A N > + 0 0 9 1,-0.1 4,-2.7 2,-0.1 3,-0.3 -0.031 57.3 130.9-121.6 26.3 29.8 -52.5 -13.5 270 273 A K H > S+ 0 0 81 -3,-0.5 4,-2.4 1,-0.2 -1,-0.1 0.819 73.4 49.9 -58.2 -36.8 28.1 -49.7 -11.7 271 274 A E H > S+ 0 0 112 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.893 113.1 46.5 -70.5 -38.0 31.2 -47.6 -11.0 272 275 A L H > S+ 0 0 37 -3,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.893 111.0 52.6 -67.0 -42.1 32.3 -47.9 -14.7 273 276 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.952 110.7 49.2 -56.3 -47.1 28.7 -47.0 -15.8 274 277 A K H X S+ 0 0 30 -4,-2.4 4,-2.6 -5,-0.2 5,-0.4 0.906 111.0 47.9 -57.7 -49.2 29.0 -43.9 -13.5 275 278 A E H X>S+ 0 0 64 -4,-2.3 4,-2.4 1,-0.2 5,-0.6 0.916 112.6 49.8 -57.1 -47.2 32.4 -42.9 -14.9 276 279 A F H X>S+ 0 0 0 -4,-2.7 5,-2.9 3,-0.2 4,-1.4 0.934 116.0 41.1 -57.4 -46.8 31.2 -43.2 -18.5 277 280 A L H <>S+ 0 0 0 -4,-2.4 5,-2.8 3,-0.2 -2,-0.2 0.936 124.1 34.6 -71.1 -46.4 28.0 -41.2 -17.9 278 281 A E H <5S+ 0 0 13 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.874 129.7 30.0 -79.7 -39.1 29.5 -38.4 -15.8 279 282 A N H <5S+ 0 0 102 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.641 132.6 21.0-103.7 -12.9 32.9 -38.1 -17.3 280 283 A Y T < S- 0 0 36 -2,-2.3 4,-2.5 -3,-0.5 5,-0.4 -0.903 90.0-106.4-133.9 161.4 30.3 -33.4 -21.4 284 287 A D H > S+ 0 0 32 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.926 123.3 48.9 -50.6 -45.1 30.1 -30.8 -24.2 285 288 A E H > S+ 0 0 135 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.881 112.7 45.1 -64.8 -43.3 32.2 -33.2 -26.3 286 289 A G H > S+ 0 0 4 -6,-0.4 4,-1.5 2,-0.2 -1,-0.2 0.911 114.6 46.5 -71.3 -44.2 30.1 -36.4 -25.5 287 290 A L H X S+ 0 0 0 -4,-2.5 4,-3.0 -6,-0.3 -2,-0.2 0.886 110.2 55.4 -67.5 -34.2 26.7 -34.8 -26.1 288 291 A E H X S+ 0 0 87 -4,-2.0 4,-2.3 -5,-0.4 -1,-0.2 0.892 103.9 54.3 -63.1 -41.1 28.0 -33.2 -29.3 289 292 A A H X S+ 0 0 11 -4,-1.5 4,-0.5 2,-0.2 -1,-0.2 0.897 113.9 40.8 -59.6 -42.0 29.0 -36.6 -30.6 290 293 A V H >X S+ 0 0 7 -4,-1.5 4,-2.1 -274,-0.3 3,-1.1 0.937 114.6 52.5 -68.8 -46.9 25.4 -37.9 -30.0 291 294 A N H 3< S+ 0 0 32 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.784 102.7 57.7 -60.3 -37.1 23.8 -34.7 -31.3 292 295 A K H 3< S+ 0 0 152 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.756 110.8 45.0 -63.3 -27.1 25.8 -34.8 -34.6 293 296 A D H << S- 0 0 52 -3,-1.1 -2,-0.2 -4,-0.5 -3,-0.1 0.967 140.7 -9.3 -82.7 -64.1 24.3 -38.2 -35.3 294 297 A K S < S- 0 0 116 -4,-2.1 -281,-0.4 -281,-0.1 -1,-0.4 -0.989 86.2-108.9-133.1 128.2 20.7 -37.3 -34.3 295 298 A P - 0 0 104 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.221 18.9-154.7 -54.9 138.7 19.9 -34.0 -32.7 296 299 A L - 0 0 25 1,-0.3 2,-0.3 -9,-0.1 -37,-0.1 0.623 26.0-140.1 -83.8 -16.3 19.0 -34.3 -29.0 297 300 A G - 0 0 11 -191,-0.1 -1,-0.3 -6,-0.1 2,-0.2 -0.706 68.9 -1.0 82.6-139.7 16.9 -31.0 -28.9 298 301 A A E S-E 107 0A 1 -191,-0.8 -191,-2.7 -2,-0.3 2,-0.3 -0.510 79.8-147.3 -80.5 149.8 17.5 -29.1 -25.6 299 302 A V E -E 106 0A 0 -193,-0.3 -193,-0.3 2,-0.2 -194,-0.1 -0.806 19.2-131.1-121.8 159.4 19.9 -30.8 -23.1 300 303 A A S S+ 0 0 0 -195,-2.1 -213,-2.0 -2,-0.3 2,-0.6 0.715 82.8 94.8 -80.8 -21.8 20.1 -31.0 -19.4 301 304 A L B > -G 86 0C 3 -196,-0.5 4,-2.8 -215,-0.2 -215,-0.2 -0.616 68.6-149.6 -74.9 116.3 23.9 -30.1 -19.3 302 305 A K H > S+ 0 0 73 -217,-2.6 4,-2.3 -2,-0.6 5,-0.2 0.885 89.3 51.2 -59.5 -46.0 24.2 -26.4 -18.8 303 306 A S H > S+ 0 0 48 -218,-0.4 4,-0.9 1,-0.2 -1,-0.2 0.923 116.1 40.0 -61.1 -43.2 27.4 -25.8 -20.7 304 307 A Y H > S+ 0 0 8 2,-0.2 4,-2.4 1,-0.2 3,-0.4 0.882 111.8 57.0 -75.1 -36.6 26.3 -27.6 -23.9 305 308 A E H X S+ 0 0 3 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.904 100.4 59.0 -59.4 -39.1 22.8 -26.2 -23.7 306 309 A E H < S+ 0 0 138 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.870 109.9 43.9 -57.0 -34.7 24.3 -22.7 -23.7 307 310 A E H >< S+ 0 0 76 -4,-0.9 3,-1.2 -3,-0.4 -2,-0.2 0.907 114.4 48.1 -73.4 -46.9 25.9 -23.6 -27.1 308 311 A L H >< S+ 0 0 19 -4,-2.4 3,-2.1 1,-0.2 6,-0.3 0.816 97.8 70.7 -65.1 -32.2 22.7 -25.2 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