==== 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 3CSG . COMPND 2 MOLECULE: MALTOSE-BINDING PROTEIN MONOBODY YS1 FUSION; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI, SYNTHETIC; . AUTHOR R.N.GILBRETH,S.KOIDE . 458 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 320 69.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 79 17.2 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 . 1 0.2 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 . 23 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 2.4 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 1 0 2 0 4 3 0 1 1 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 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 0 PARALLEL BRIDGES PER LADDER . 3 3 0 5 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 ANTIPARALLEL BRIDGES PER LADDER . 3 2 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 6 A K 0 0 140 0, 0.0 2,-0.4 0, 0.0 29,-0.2 0.000 360.0 360.0 360.0 -19.8 19.3 -18.1 15.9 2 7 A L E -a 30 0A 0 27,-2.2 29,-2.9 268,-0.1 2,-0.5 -0.966 360.0-178.3-124.6 118.9 20.8 -15.5 13.6 3 8 A V E -a 31 0A 41 -2,-0.4 51,-1.9 27,-0.2 50,-1.8 -0.974 11.8-169.0-106.1 119.3 19.6 -15.3 10.1 4 9 A I E -ab 32 54A 0 27,-2.9 29,-3.0 -2,-0.5 2,-0.5 -0.928 10.7-154.8-114.0 139.4 21.4 -12.6 8.0 5 10 A W E +ab 33 55A 26 49,-2.9 51,-2.7 -2,-0.4 2,-0.3 -0.937 24.0 158.1-112.6 132.0 20.4 -11.3 4.5 6 11 A I - 0 0 3 27,-2.2 51,-0.1 -2,-0.5 6,-0.0 -0.977 45.4 -88.6-146.4 151.2 23.1 -9.7 2.4 7 12 A N > - 0 0 42 -2,-0.3 3,-1.6 49,-0.3 5,-0.2 -0.214 31.6-119.2 -66.1 154.8 23.3 -9.3 -1.4 8 13 A G T 3 S+ 0 0 33 1,-0.3 -1,-0.1 27,-0.2 4,-0.1 0.610 111.2 61.3 -68.5 -11.7 24.8 -12.0 -3.7 9 14 A D T 3 S+ 0 0 100 2,-0.1 -1,-0.3 3,-0.0 2,-0.2 0.408 92.8 78.2 -95.3 2.5 27.5 -9.5 -4.8 10 15 A K S < S- 0 0 65 -3,-1.6 2,-2.3 1,-0.0 3,-0.2 -0.532 103.2 -84.3-102.0 174.2 29.0 -9.0 -1.4 11 16 A G > + 0 0 0 281,-0.4 4,-2.7 1,-0.2 5,-0.2 -0.407 61.2 156.3 -82.1 67.6 31.3 -11.4 0.5 12 17 A Y H > S+ 0 0 57 -2,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.721 72.0 53.3 -68.8 -24.4 28.6 -13.6 2.0 13 18 A N H > S+ 0 0 96 -3,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.886 109.9 49.1 -73.3 -40.2 31.0 -16.5 2.4 14 19 A G H > S+ 0 0 0 274,-0.2 4,-1.6 2,-0.2 3,-0.5 0.929 110.2 50.9 -59.0 -48.2 33.3 -14.3 4.4 15 20 A L H X S+ 0 0 1 -4,-2.7 4,-2.2 1,-0.2 3,-0.3 0.932 106.3 55.7 -55.8 -40.2 30.4 -13.1 6.4 16 21 A A H X S+ 0 0 40 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.796 103.3 56.1 -65.8 -27.2 29.5 -16.8 7.1 17 22 A E H X S+ 0 0 98 -4,-1.3 4,-1.7 -3,-0.5 -1,-0.2 0.872 105.7 48.5 -68.1 -45.0 33.0 -17.3 8.4 18 23 A V H X S+ 0 0 9 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.913 110.9 54.5 -56.5 -41.4 32.5 -14.6 11.0 19 24 A G H X S+ 0 0 2 -4,-2.2 4,-2.0 1,-0.2 11,-0.3 0.787 104.7 51.7 -65.8 -28.5 29.2 -16.4 11.7 20 25 A K H X S+ 0 0 107 -4,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.838 107.7 52.3 -81.1 -30.3 30.9 -19.7 12.4 21 26 A K H X S+ 0 0 104 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.896 109.8 49.8 -63.7 -44.5 33.3 -18.0 14.8 22 27 A F H >X S+ 0 0 2 -4,-2.0 4,-1.4 2,-0.2 3,-0.7 0.932 111.3 48.4 -54.5 -48.2 30.3 -16.6 16.6 23 28 A E H 3X S+ 0 0 70 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.857 104.8 60.8 -62.2 -34.2 28.7 -20.1 16.7 24 29 A K H 3< S+ 0 0 145 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.864 114.7 34.3 -52.8 -38.6 32.1 -21.3 18.0 25 30 A D H << S+ 0 0 81 -4,-1.1 -2,-0.2 -3,-0.7 -1,-0.2 0.536 133.7 21.6-101.0 -18.1 31.6 -19.0 21.1 26 31 A T H < S- 0 0 63 -4,-1.4 -3,-0.2 2,-0.2 -2,-0.2 0.589 89.3-126.1-128.0 -26.1 27.9 -19.0 21.7 27 32 A G < + 0 0 51 -4,-2.0 2,-0.5 -5,-0.4 -4,-0.2 0.504 66.6 136.3 75.9 7.3 26.6 -22.2 20.1 28 33 A I - 0 0 31 -6,-0.4 2,-0.4 -27,-0.1 -1,-0.3 -0.771 55.5-129.0 -87.7 127.3 24.2 -20.0 18.2 29 34 A K - 0 0 123 -2,-0.5 -27,-2.2 -3,-0.1 2,-0.4 -0.678 17.6-156.7 -81.2 130.0 23.9 -20.9 14.6 30 35 A V E -a 2 0A 24 -2,-0.4 2,-0.5 -11,-0.3 -27,-0.2 -0.882 6.3-166.4-104.8 133.9 24.3 -18.1 12.1 31 36 A T E -a 3 0A 64 -29,-2.9 -27,-2.9 -2,-0.4 2,-0.5 -0.983 3.9-159.0-125.3 115.0 22.8 -18.6 8.7 32 37 A V E +a 4 0A 29 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.873 15.6 178.9 -98.2 123.1 23.8 -16.2 5.9 33 38 A E E -a 5 0A 82 -29,-3.0 -27,-2.2 -2,-0.5 -2,-0.0 -0.867 21.5-164.6-119.6 159.0 21.3 -15.9 2.9 34 39 A H - 0 0 77 -2,-0.3 -26,-0.1 -29,-0.2 -29,-0.1 -0.530 21.0-175.4-139.5 66.5 21.3 -13.8 -0.3 35 40 A P > - 0 0 32 0, 0.0 3,-0.7 0, 0.0 -27,-0.2 -0.197 34.6 -94.2 -64.7 156.7 17.8 -14.0 -1.8 36 41 A D T 3 S+ 0 0 131 1,-0.2 5,-0.2 2,-0.1 4,-0.0 -0.468 108.4 6.0 -63.0 142.1 16.9 -12.4 -5.1 37 42 A K T >> S+ 0 0 118 -2,-0.1 4,-2.2 1,-0.1 3,-1.2 0.898 80.8 168.2 56.6 44.4 15.5 -8.8 -4.9 38 43 A L H <> + 0 0 0 -3,-0.7 4,-3.0 1,-0.3 -1,-0.1 0.885 67.6 59.3 -67.2 -31.7 16.3 -8.9 -1.2 39 44 A E H 34 S+ 0 0 33 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.747 111.1 42.4 -66.8 -25.8 15.7 -5.2 -0.8 40 45 A E H <> S+ 0 0 89 -3,-1.2 4,-0.7 2,-0.1 -1,-0.2 0.795 115.5 47.0 -84.8 -34.4 12.1 -5.6 -2.0 41 46 A K H X S+ 0 0 80 -4,-2.2 4,-2.3 1,-0.2 3,-0.4 0.896 98.2 71.7 -79.0 -34.6 11.3 -8.8 -0.1 42 47 A F H X S+ 0 0 0 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.888 99.2 44.6 -44.0 -56.3 12.6 -7.6 3.3 43 48 A P H > S+ 0 0 27 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.877 112.2 54.3 -64.7 -29.7 9.8 -5.1 3.9 44 49 A Q H < S+ 0 0 124 -4,-0.7 4,-0.4 -3,-0.4 -2,-0.2 0.939 118.8 32.2 -64.6 -52.3 7.2 -7.7 2.8 45 50 A V H ><>S+ 0 0 46 -4,-2.3 5,-2.5 2,-0.2 3,-0.6 0.862 118.3 54.0 -71.9 -37.2 8.4 -10.4 5.2 46 51 A A H ><5S+ 0 0 5 -4,-3.3 3,-1.8 -5,-0.3 -2,-0.2 0.886 101.7 59.6 -64.3 -38.7 9.6 -8.0 8.1 47 52 A A T 3<5S+ 0 0 16 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.675 104.4 48.7 -66.1 -22.9 6.2 -6.2 8.2 48 53 A T T < 5S- 0 0 80 -3,-0.6 -1,-0.3 -4,-0.4 -2,-0.2 0.136 128.3 -97.1-104.2 16.7 4.3 -9.4 9.1 49 54 A G T < 5S+ 0 0 40 -3,-1.8 -3,-0.2 1,-0.2 -2,-0.2 0.546 94.1 99.0 83.4 11.2 6.9 -10.2 11.8 50 55 A D < + 0 0 100 -5,-2.5 -1,-0.2 -6,-0.1 214,-0.2 -0.189 38.7 84.0-108.5-161.7 9.0 -12.6 9.7 51 56 A G S S- 0 0 36 -2,-0.1 -48,-0.1 -3,-0.1 4,-0.0 -0.158 80.3 -37.0 95.2 175.4 12.3 -12.1 7.8 52 57 A P - 0 0 1 0, 0.0 210,-0.2 0, 0.0 -48,-0.2 -0.158 44.3-125.7 -71.0 169.8 15.9 -12.3 8.8 53 58 A D S S+ 0 0 12 -50,-1.8 209,-2.1 1,-0.2 2,-0.4 0.834 97.9 29.0 -76.8 -36.3 17.4 -10.9 12.1 54 59 A I E -bC 4 261A 0 -51,-1.9 -49,-2.9 207,-0.2 2,-0.4 -0.991 66.6-169.0-130.4 136.9 19.9 -8.8 10.3 55 60 A I E -bC 5 260A 0 205,-2.4 205,-2.7 -2,-0.4 2,-0.5 -0.989 8.4-154.8-124.3 133.0 19.7 -7.1 6.8 56 61 A F E + C 0 259A 5 -51,-2.7 2,-0.3 -2,-0.4 -49,-0.3 -0.915 35.8 129.5-103.5 127.8 22.6 -5.5 5.0 57 62 A W E - C 0 258A 44 201,-2.3 201,-2.7 -2,-0.5 5,-0.1 -0.979 62.5 -68.2-165.7 164.5 21.8 -2.8 2.4 58 63 A A E >> - C 0 257A 32 -2,-0.3 3,-1.4 199,-0.2 4,-0.8 -0.331 48.4-122.0 -57.3 141.9 22.6 0.7 1.3 59 64 A H H 3> S+ 0 0 1 197,-1.9 4,-0.9 1,-0.3 3,-0.3 0.732 104.2 72.5 -61.6 -23.8 21.4 3.2 3.9 60 65 A D H 34 S+ 0 0 79 1,-0.3 4,-0.5 2,-0.2 -1,-0.3 0.792 99.0 47.6 -66.6 -29.5 19.2 5.1 1.5 61 66 A R H <> S+ 0 0 90 -3,-1.4 4,-1.6 1,-0.2 3,-0.4 0.751 99.8 68.9 -75.8 -28.7 16.7 2.2 1.5 62 67 A F H X S+ 0 0 1 -4,-0.8 4,-2.9 -3,-0.3 5,-0.3 0.798 87.6 63.8 -67.2 -21.3 16.8 2.0 5.3 63 68 A G H X S+ 0 0 2 -4,-0.9 4,-2.8 2,-0.2 -1,-0.2 0.957 104.1 48.8 -64.6 -40.7 14.9 5.3 5.6 64 69 A G H > S+ 0 0 31 -4,-0.5 4,-1.3 -3,-0.4 -2,-0.2 0.883 113.7 46.3 -60.2 -43.8 12.0 3.5 3.8 65 70 A Y H <>S+ 0 0 2 -4,-1.6 5,-2.7 2,-0.2 6,-0.3 0.896 113.0 48.0 -65.5 -42.4 12.3 0.6 6.2 66 71 A A H ><5S+ 0 0 10 -4,-2.9 3,-1.9 1,-0.2 -2,-0.2 0.871 104.8 60.5 -70.3 -37.8 12.5 2.9 9.3 67 72 A Q H 3<5S+ 0 0 3 -4,-2.8 320,-0.4 1,-0.3 -1,-0.2 0.915 108.4 45.4 -47.2 -42.8 9.5 4.9 8.1 68 73 A S T 3<5S- 0 0 10 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.315 116.7-115.9 -92.0 9.1 7.6 1.7 8.3 69 74 A G T < 5S+ 0 0 40 -3,-1.9 -3,-0.2 1,-0.1 -2,-0.1 0.758 74.7 133.0 72.0 22.8 9.0 0.8 11.7 70 75 A L < + 0 0 11 -5,-2.7 193,-2.5 -6,-0.1 2,-0.4 0.553 52.8 69.5 -89.8 -7.1 10.8 -2.3 10.3 71 76 A L B S-F 262 0B 13 -6,-0.3 191,-0.2 191,-0.3 2,-0.1 -0.921 80.6-121.9-118.1 135.9 14.2 -1.7 11.9 72 77 A A - 0 0 11 189,-3.5 189,-0.4 -2,-0.4 2,-0.3 -0.424 30.8-112.5 -69.1 141.5 15.1 -1.9 15.6 73 78 A E - 0 0 104 -2,-0.1 2,-0.2 190,-0.1 26,-0.2 -0.634 39.5-139.2 -69.1 133.0 16.5 1.3 17.2 74 79 A I - 0 0 10 24,-2.6 24,-0.3 -2,-0.3 26,-0.1 -0.683 10.9-153.3-100.8 160.8 20.1 0.3 18.0 75 80 A T + 0 0 87 -2,-0.2 2,-0.1 24,-0.1 -1,-0.1 -0.310 22.3 166.0-130.1 46.4 21.9 1.3 21.2 76 81 A P - 0 0 8 0, 0.0 22,-0.0 0, 0.0 -2,-0.0 -0.474 36.4-124.4 -66.4 136.5 25.7 1.4 20.6 77 82 A D > - 0 0 97 -2,-0.1 4,-2.1 1,-0.1 3,-0.4 -0.215 29.2 -97.5 -72.2 166.2 27.4 3.2 23.5 78 83 A K H > S+ 0 0 152 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.868 122.8 55.4 -57.5 -37.8 29.7 6.3 22.9 79 84 A A H 4 S+ 0 0 46 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.900 109.2 47.6 -63.1 -38.9 32.9 4.3 22.9 80 85 A F H >4 S+ 0 0 6 -3,-0.4 3,-1.4 2,-0.2 4,-0.3 0.933 110.6 51.3 -66.8 -44.1 31.6 2.0 20.2 81 86 A Q H >< S+ 0 0 56 -4,-2.1 3,-1.9 1,-0.3 -2,-0.2 0.893 101.3 61.3 -60.2 -40.7 30.4 5.0 18.1 82 87 A D T 3< S+ 0 0 119 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.666 91.5 70.8 -57.8 -19.2 33.8 6.6 18.3 83 88 A K T < S+ 0 0 102 -3,-1.4 217,-2.2 -4,-0.4 218,-0.4 0.650 97.3 56.6 -69.7 -18.9 35.2 3.5 16.5 84 89 A L B < S-G 299 0C 0 -3,-1.9 215,-0.2 -4,-0.3 214,-0.1 -0.806 104.5 -86.4-112.3 160.9 33.6 4.5 13.3 85 90 A Y >> - 0 0 27 213,-1.8 3,-1.8 -2,-0.3 4,-0.8 -0.426 41.0-126.1 -63.0 129.4 33.9 7.8 11.3 86 91 A P H >> S+ 0 0 92 0, 0.0 3,-1.4 0, 0.0 4,-0.6 0.848 104.7 58.7 -45.0 -47.3 31.4 10.3 12.7 87 92 A F H 3> S+ 0 0 38 1,-0.3 4,-0.6 2,-0.2 3,-0.4 0.682 94.6 64.8 -63.7 -20.6 29.7 11.1 9.4 88 93 A T H X4 S+ 0 0 0 -3,-1.8 3,-1.0 1,-0.2 4,-0.5 0.858 94.2 61.3 -72.4 -27.3 28.8 7.4 8.9 89 94 A W H X< S+ 0 0 8 -3,-1.4 3,-1.1 -4,-0.8 -1,-0.2 0.841 96.0 60.6 -66.1 -29.7 26.5 7.7 11.9 90 95 A D H >< S+ 0 0 54 -4,-0.6 3,-0.9 -3,-0.4 -1,-0.3 0.794 96.1 61.3 -67.6 -23.7 24.5 10.4 10.1 91 96 A A T << S+ 0 0 1 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.682 104.1 48.8 -76.8 -13.8 23.6 7.9 7.4 92 97 A V T < S+ 0 0 0 -3,-1.1 7,-3.2 -4,-0.5 8,-0.5 -0.010 85.0 106.8-117.9 22.9 21.8 5.6 9.8 93 98 A R E < +H 98 0D 63 -3,-0.9 2,-0.3 5,-0.2 5,-0.2 -0.903 38.2 171.8-105.1 133.1 19.6 8.0 11.6 94 99 A Y E > -H 97 0D 15 3,-2.7 3,-1.6 -2,-0.4 76,-0.1 -0.979 68.4 -17.2-136.2 126.0 15.8 8.2 11.0 95 100 A N T 3 S- 0 0 54 -2,-0.3 3,-0.1 1,-0.3 75,-0.1 0.909 130.3 -45.5 50.6 45.1 13.3 10.4 13.0 96 101 A G T 3 S+ 0 0 69 73,-0.3 2,-0.4 1,-0.2 -1,-0.3 0.609 119.4 102.2 78.9 10.6 15.7 10.8 15.9 97 102 A K E < S-H 94 0D 100 -3,-1.6 -3,-2.7 -24,-0.0 2,-0.5 -0.971 71.4-124.9-131.8 140.7 16.8 7.3 16.2 98 103 A L E +H 93 0D 19 -2,-0.4 -24,-2.6 -24,-0.3 -5,-0.2 -0.733 31.6 176.4 -74.5 127.1 19.9 5.3 15.1 99 104 A I + 0 0 6 -7,-3.2 162,-0.3 -2,-0.5 2,-0.3 0.340 53.0 11.7-124.1 8.1 18.5 2.4 13.0 100 105 A A S S- 0 0 0 -8,-0.5 160,-0.3 160,-0.2 -1,-0.2 -0.978 70.9-102.4-175.1 162.5 21.6 0.5 11.7 101 106 A Y E -D 259 0A 1 158,-2.8 158,-2.6 -2,-0.3 2,-0.1 -0.906 39.2-121.6 -98.3 124.3 25.3 -0.1 12.0 102 107 A P E +D 258 0A 0 0, 0.0 156,-0.2 0, 0.0 3,-0.1 -0.409 36.6 168.4 -61.1 137.5 27.4 1.6 9.3 103 108 A I E + 0 0 2 154,-3.5 195,-2.0 1,-0.4 196,-0.5 0.763 55.6 1.3-116.9 -52.9 29.6 -1.0 7.4 104 109 A A E -DE 257 297A 6 153,-1.5 153,-1.4 193,-0.3 -1,-0.4 -0.908 58.5-135.3-145.6 166.5 31.1 0.5 4.2 105 110 A V E -DE 256 296A 4 191,-2.8 191,-0.8 -2,-0.3 2,-0.4 -0.975 15.9-172.7-134.5 131.8 31.3 3.8 2.4 106 111 A E E +D 255 0A 85 149,-2.6 149,-2.4 -2,-0.4 2,-0.3 -0.993 15.4 148.4-133.7 137.8 30.9 4.5 -1.3 107 112 A A - 0 0 0 -2,-0.4 212,-0.1 147,-0.2 147,-0.1 -0.963 46.2 -90.8-159.2 155.3 31.4 7.9 -3.2 108 113 A L - 0 0 0 145,-0.4 2,-0.3 -2,-0.3 115,-0.2 -0.416 42.4-174.1 -64.2 153.4 32.5 9.0 -6.6 109 114 A S E -I 222 0E 1 113,-2.3 113,-1.8 -2,-0.1 2,-0.5 -0.914 33.7 -93.1-138.3 171.5 36.1 9.9 -7.3 110 115 A L E -IJ 221 240E 0 130,-2.2 130,-3.1 -2,-0.3 2,-0.4 -0.782 40.4-165.5 -85.2 123.1 38.3 11.3 -10.0 111 116 A I E -IJ 220 239E 0 109,-2.8 109,-2.9 -2,-0.5 2,-0.3 -0.950 11.5-176.6-114.6 133.2 39.7 8.5 -12.2 112 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172.9 32.9 7.3 -11.5 223 228 A G > - 0 0 0 -2,-0.3 3,-2.4 -115,-0.2 4,-0.4 -0.492 44.4 -88.1-107.7 177.9 32.6 5.0 -8.5 224 229 A P G > S+ 0 0 28 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.709 118.7 70.6 -60.3 -17.2 34.2 1.8 -7.2 225 230 A W G 3 S+ 0 0 97 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.736 96.6 54.2 -70.3 -18.9 31.7 -0.3 -9.3 226 231 A A G <> S+ 0 0 3 -3,-2.4 4,-1.3 1,-0.2 3,-0.3 0.576 85.1 84.8 -84.8 -18.4 33.5 0.9 -12.4 227 232 A W H <> S+ 0 0 23 -3,-0.9 4,-3.0 -4,-0.4 -1,-0.2 0.862 82.5 56.4 -65.1 -36.5 37.0 -0.2 -11.4 228 233 A S H > S+ 0 0 74 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.907 105.2 51.8 -69.0 -32.6 36.8 -3.8 -12.6 229 234 A N H > S+ 0 0 82 -3,-0.3 4,-1.4 -4,-0.3 -1,-0.2 0.854 111.4 48.9 -64.4 -33.0 35.9 -2.8 -16.2 230 235 A I H X>S+ 0 0 2 -4,-1.3 4,-1.0 2,-0.2 5,-0.7 0.923 106.9 55.5 -71.0 -42.3 38.9 -0.5 -16.1 231 236 A D H ><5S+ 0 0 76 -4,-3.0 3,-0.9 1,-0.2 -2,-0.2 0.926 110.1 45.6 -52.0 -45.5 41.1 -3.3 -14.8 232 237 A T H 3<5S+ 0 0 111 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.808 105.4 61.8 -69.9 -32.2 40.1 -5.5 -17.7 233 238 A S H 3<5S- 0 0 41 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.692 99.6-134.7 -64.0 -22.8 40.7 -2.6 -20.2 234 239 A K T <<5 + 0 0 172 -4,-1.0 2,-0.3 -3,-0.9 -3,-0.1 0.634 52.4 147.6 67.0 14.7 44.4 -2.4 -19.3 235 240 A V < - 0 0 20 -5,-0.7 2,-1.0 -22,-0.1 -1,-0.3 -0.645 54.6-126.1 -64.4 136.8 44.4 1.5 -19.0 236 241 A N + 0 0 79 -2,-0.3 -122,-2.8 -3,-0.1 -121,-0.4 -0.822 48.4 174.2 -85.9 99.0 46.9 2.3 -16.3 237 242 A Y E -J 113 0E 24 -2,-1.0 2,-0.3 -124,-0.2 -124,-0.2 -0.681 26.7-159.6-113.9 160.7 44.6 4.3 -14.1 238 243 A G E -J 112 0E 6 -126,-2.3 -126,-2.3 -2,-0.2 2,-0.4 -0.870 12.2-141.4-126.5 169.3 44.6 6.0 -10.7 239 244 A V E +J 111 0E 9 -2,-0.3 2,-0.2 -128,-0.2 -128,-0.2 -1.000 33.2 157.6-134.5 126.9 41.8 7.2 -8.4 240 245 A T E -J 110 0E 36 -130,-3.1 -130,-2.2 -2,-0.4 78,-0.0 -0.788 45.3 -58.1-142.3 176.2 42.1 10.5 -6.6 241 246 A V - 0 0 28 -2,-0.2 -132,-0.1 -132,-0.2 -1,-0.1 -0.317 62.5-103.9 -58.7 142.3 40.3 13.3 -4.8 242 247 A L - 0 0 5 -134,-0.2 8,-0.2 72,-0.2 -1,-0.1 -0.338 47.4 -91.3 -66.7 150.9 37.8 15.2 -7.0 243 248 A P - 0 0 1 0, 0.0 7,-0.5 0, 0.0 -120,-0.3 -0.341 41.6-115.1 -62.1 153.3 39.0 18.5 -8.3 244 249 A T E -lM 123 249F 37 -122,-3.3 -120,-3.4 5,-0.2 -119,-0.5 -0.445 20.4-150.9 -78.9 154.6 38.2 21.6 -6.2 245 250 A F E > S- M 0 248F 11 3,-3.4 3,-2.2 -122,-0.2 -59,-0.1 -0.993 81.6 -7.0-127.6 128.6 35.9 24.5 -7.4 246 251 A K T 3 S- 0 0 112 -2,-0.4 -1,-0.1 1,-0.3 -123,-0.0 0.899 132.1 -59.1 53.0 40.4 36.4 28.0 -6.2 247 252 A G T 3 S+ 0 0 64 1,-0.2 -1,-0.3 -3,-0.1 -3,-0.1 0.404 118.0 110.6 75.5 -4.5 39.0 26.4 -3.9 248 253 A Q E < S-M 245 0F 71 -3,-2.2 -3,-3.4 1,-0.1 -1,-0.2 -0.835 72.7-100.8-106.4 147.0 36.3 24.2 -2.3 249 254 A P E -M 244 0F 47 0, 0.0 -5,-0.2 0, 0.0 2,-0.1 -0.179 34.2-107.9 -64.1 148.1 36.0 20.4 -2.6 250 255 A S - 0 0 2 -7,-0.5 -95,-0.2 -8,-0.2 -8,-0.2 -0.457 33.2-141.4 -62.8 144.4 33.6 18.6 -4.9 251 256 A K - 0 0 48 -97,-2.0 -94,-0.2 -98,-0.3 71,-0.2 -0.786 20.0-174.2-124.7 90.3 30.9 17.1 -2.8 252 257 A P - 0 0 0 0, 0.0 71,-2.0 0, 0.0 2,-0.2 -0.414 33.8-101.4 -77.0 152.5 29.7 13.7 -4.0 253 258 A F E -o 323 0H 2 -103,-0.4 2,-0.5 69,-0.2 -145,-0.4 -0.533 37.3-137.0 -73.5 144.9 26.7 11.9 -2.4 254 259 A V E -o 324 0H 1 69,-1.4 71,-2.5 -2,-0.2 2,-0.4 -0.882 11.8-160.1-112.4 131.4 27.8 9.1 -0.0 255 260 A G E - D 0 106A 22 -149,-2.4 -149,-2.6 -2,-0.5 2,-0.6 -0.919 9.6-157.9-106.5 130.0 26.2 5.7 0.1 256 261 A V E - D 0 105A 0 -2,-0.4 -197,-1.9 -151,-0.2 2,-0.3 -0.932 12.5-139.4-119.0 114.4 26.7 3.7 3.3 257 262 A L E -CD 58 104A 22 -153,-1.4 -154,-3.5 -2,-0.6 -153,-1.5 -0.501 38.2-174.2 -63.4 123.0 26.4 -0.0 3.3 258 263 A S E -CD 57 102A 0 -201,-2.7 -201,-2.3 -2,-0.3 2,-0.5 -0.889 30.0-137.6-132.3 159.9 24.6 -0.7 6.6 259 264 A A E -CD 56 101A 0 -158,-2.6 -158,-2.8 -2,-0.3 2,-0.3 -0.961 24.8-175.2-119.1 113.9 23.4 -3.5 8.9 260 265 A G E -C 55 0A 0 -205,-2.7 -205,-2.4 -2,-0.5 2,-0.5 -0.818 21.4-130.9-105.4 154.6 19.9 -3.1 10.5 261 266 A I E -C 54 0A 6 -189,-0.4 -189,-3.5 -2,-0.3 -207,-0.2 -0.883 32.8-109.4-103.1 126.6 18.2 -5.5 13.0 262 267 A N B > -F 71 0B 2 -209,-2.1 3,-2.0 -2,-0.5 -191,-0.3 -0.356 18.5-136.9 -52.9 124.1 14.7 -6.5 12.2 263 268 A A T 3 S+ 0 0 35 -193,-2.5 -192,-0.2 1,-0.3 -1,-0.1 0.811 106.2 51.9 -57.3 -26.6 12.3 -4.8 14.6 264 269 A A T 3 S+ 0 0 44 -194,-0.4 -1,-0.3 -214,-0.2 -2,-0.1 0.426 82.5 124.0 -88.8 0.6 10.4 -8.1 14.8 265 270 A S X - 0 0 5 -3,-2.0 3,-0.6 1,-0.2 -215,-0.1 -0.395 49.8-160.4 -66.3 131.5 13.6 -10.1 15.7 266 271 A P T 3 S+ 0 0 114 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.309 90.7 63.3 -84.3 7.6 13.4 -12.1 18.9 267 272 A N T 3> + 0 0 25 -5,-0.2 4,-2.6 1,-0.1 5,-0.2 -0.056 57.9 129.4-119.7 29.4 17.2 -12.1 18.7 268 273 A K H <> S+ 0 0 82 -3,-0.6 4,-1.9 1,-0.2 5,-0.1 0.829 76.7 48.0 -66.1 -34.5 18.1 -8.4 19.0 269 274 A E H > S+ 0 0 116 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.899 111.6 52.1 -67.1 -42.3 20.7 -8.9 21.7 270 275 A L H > S+ 0 0 40 2,-0.2 4,-2.7 1,-0.2 -2,-0.2 0.928 109.5 50.0 -52.0 -48.0 22.2 -11.7 19.7 271 276 A A H X S+ 0 0 0 -4,-2.6 4,-3.4 2,-0.2 5,-0.2 0.897 110.2 49.0 -59.5 -44.1 22.4 -9.4 16.6 272 277 A K H X>S+ 0 0 42 -4,-1.9 4,-3.4 2,-0.2 5,-0.5 0.921 111.2 50.5 -63.3 -45.7 24.1 -6.6 18.5 273 278 A E H X5S+ 0 0 78 -4,-2.2 4,-2.3 1,-0.2 5,-0.4 0.949 114.9 42.8 -54.5 -53.4 26.6 -9.0 20.0 274 279 A F H X>S+ 0 0 0 -4,-2.7 5,-2.5 3,-0.2 4,-1.6 0.945 119.4 43.2 -61.4 -48.8 27.4 -10.3 16.5 275 280 A L H <>S+ 0 0 0 -4,-3.4 5,-2.5 3,-0.2 -2,-0.2 0.934 123.2 34.0 -69.9 -43.0 27.5 -6.9 14.8 276 281 A E H <5S+ 0 0 16 -4,-3.4 -3,-0.2 -5,-0.2 -2,-0.2 0.892 129.1 32.1 -77.4 -40.7 29.4 -5.0 17.5 277 282 A N H < S- 0 0 23 -2,-2.1 4,-2.5 -3,-0.3 5,-0.4 -0.934 92.7-102.5-145.8 161.2 36.3 -5.5 14.1 282 287 A D H > S+ 0 0 63 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.938 122.6 47.6 -50.5 -49.1 39.5 -5.7 12.1 283 288 A E H > S+ 0 0 116 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.805 112.9 46.7 -64.9 -36.2 39.1 -9.5 12.0 284 289 A G H > S+ 0 0 2 -6,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.935 114.9 43.8 -78.0 -46.3 35.5 -9.6 11.0 285 290 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 -6,-0.4 5,-0.2 0.875 110.9 57.2 -66.9 -33.3 35.7 -7.0 8.2 286 291 A E H X S+ 0 0 110 -4,-2.1 4,-2.6 -5,-0.4 -1,-0.2 0.924 104.1 52.6 -60.2 -47.3 38.9 -8.6 7.0 287 292 A A H X S+ 0 0 19 -4,-1.6 4,-0.5 2,-0.2 -1,-0.2 0.859 114.6 40.9 -53.6 -45.8 37.0 -12.0 6.6 288 293 A V H >X S+ 0 0 4 -4,-1.7 4,-2.4 -274,-0.3 3,-1.3 0.951 116.6 48.7 -67.2 -48.1 34.2 -10.3 4.5 289 294 A N H 3< S+ 0 0 28 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.842 104.4 59.0 -65.1 -33.6 36.6 -8.1 2.4 290 295 A K H 3< S+ 0 0 174 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.760 111.5 43.4 -67.6 -24.0 39.0 -11.1 1.7 291 296 A D H << S- 0 0 55 -3,-1.3 -2,-0.2 -4,-0.5 -1,-0.2 0.932 140.3 -7.4 -85.2 -58.2 35.9 -12.7 0.0 292 297 A K S < S- 0 0 60 -4,-2.4 -281,-0.4 -281,-0.1 -1,-0.3 -0.938 86.0-104.0-138.9 123.5 34.7 -9.6 -1.8 293 298 A P - 0 0 109 0, 0.0 3,-0.1 0, 0.0 -4,-0.1 -0.110 20.6-159.9 -45.7 128.7 36.2 -6.2 -1.3 294 299 A L - 0 0 24 1,-0.3 2,-0.3 -9,-0.1 -189,-0.2 0.568 30.6-140.7 -80.6 -12.5 33.9 -4.0 0.8 295 300 A G - 0 0 16 -191,-0.1 -1,-0.3 -6,-0.1 2,-0.2 -0.669 65.7 -0.3 80.6-141.4 35.7 -0.8 -0.6 296 301 A A E S-E 105 0A 0 -191,-0.8 -191,-2.8 -2,-0.3 2,-0.3 -0.596 82.0-143.1 -81.3 147.7 36.2 1.9 2.1 297 302 A V E -E 104 0A 0 -193,-0.3 -193,-0.3 -2,-0.2 -212,-0.1 -0.730 19.3-132.2-117.6 158.9 34.9 1.0 5.5 298 303 A A S S+ 0 0 0 -195,-2.0 -213,-1.8 -2,-0.3 2,-0.6 0.774 85.2 90.7 -75.2 -28.3 33.2 2.8 8.5 299 304 A L B > -G 84 0C 4 -196,-0.5 4,-2.9 -215,-0.2 5,-0.2 -0.589 68.1-153.1 -75.3 113.0 35.6 1.2 11.0 300 305 A K H > S+ 0 0 68 -217,-2.2 4,-2.8 -2,-0.6 5,-0.2 0.940 89.9 55.7 -52.5 -50.4 38.6 3.6 11.4 301 306 A S H 4 S+ 0 0 51 -218,-0.4 4,-0.5 1,-0.2 -1,-0.2 0.900 116.6 35.1 -56.1 -43.3 41.1 1.0 12.5 302 307 A Y H >> S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 3,-1.0 0.870 111.5 58.8 -85.2 -33.5 40.5 -1.2 9.4 303 308 A E H 3X S+ 0 0 4 -4,-2.9 4,-2.6 1,-0.2 -2,-0.2 0.955 101.3 60.7 -51.2 -47.6 40.0 1.7 7.0 304 309 A E H 3< S+ 0 0 139 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.741 108.4 42.6 -50.1 -29.8 43.5 2.8 8.1 305 310 A E H X4 S+ 0 0 107 -3,-1.0 3,-1.2 -4,-0.5 -1,-0.2 0.842 113.3 49.1 -83.8 -43.5 44.8 -0.5 6.8 306 311 A L H >< S+ 0 0 14 -4,-2.5 3,-2.6 1,-0.2 6,-0.3 0.795 94.6 76.6 -64.2 -28.3 42.7 -0.5 3.5 307 312 A A T 3< + 0 0 38 -4,-2.6 -1,-0.2 1,-0.3 6,-0.2 0.586 68.0 86.4 -66.0 -9.5 43.9 3.1 2.8 308 313 A K T < S+ 0 0 166 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.1 0.782 79.8 74.6 -54.5 -24.1 47.3 1.6 1.8 309 314 A D S X> S- 0 0 35 -3,-2.6 4,-2.1 1,-0.1 3,-0.8 -0.834 82.0-152.2 -92.4 110.2 45.3 1.3 -1.5 310 315 A P H 3> S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.725 93.8 60.0 -55.2 -26.1 45.2 5.0 -2.8 311 316 A R H 3> S+ 0 0 65 2,-0.2 4,-2.0 1,-0.2 -4,-0.1 0.865 107.7 43.7 -68.8 -40.6 41.9 4.2 -4.6 312 317 A I H <> S+ 0 0 17 -3,-0.8 4,-2.4 -6,-0.3 -5,-0.2 0.889 113.4 51.0 -69.6 -41.6 40.2 3.2 -1.3 313 318 A A H X S+ 0 0 33 -4,-2.1 4,-2.8 -7,-0.3 -2,-0.2 0.872 109.4 51.8 -63.6 -38.5 41.7 6.3 0.4 314 319 A A H X S+ 0 0 6 -4,-1.9 4,-2.9 -5,-0.2 5,-0.3 0.930 107.2 52.1 -58.8 -49.9 40.4 8.4 -2.4 315 320 A T H X S+ 0 0 2 -4,-2.0 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