==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-96 1GAI . COMPND 2 MOLECULE: GLUCOAMYLASE-471; . SOURCE 2 ORGANISM_SCIENTIFIC: ASPERGILLUS AWAMORI; . AUTHOR A.E.ALESHIN,B.STOFFER,L.M.FIRSOV,B.SVENSSON,R.B.HONZATKO . 472 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16323.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 318 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 29 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 185 39.2 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 0 0 1 2 0 0 0 0 1 0 2 1 2 0 0 2 1 1 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 6 4 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 1 A A > 0 0 105 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0-167.7 49.1 47.4 20.4 2 2 A T H > + 0 0 96 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.798 360.0 60.4 -74.6 -27.0 46.1 47.3 18.1 3 3 A L H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.940 103.9 50.6 -63.6 -43.9 46.1 43.4 18.2 4 4 A D H > S+ 0 0 68 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.909 114.6 42.0 -60.0 -45.7 45.7 43.6 22.0 5 5 A S H X S+ 0 0 70 -4,-1.4 4,-2.1 2,-0.2 5,-0.2 0.908 113.6 52.6 -70.3 -40.3 42.7 45.9 21.8 6 6 A W H X S+ 0 0 42 -4,-2.9 4,-3.1 1,-0.2 -2,-0.2 0.931 109.3 50.7 -60.0 -44.5 41.2 44.1 18.9 7 7 A L H X S+ 0 0 3 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.869 107.1 52.8 -60.8 -41.4 41.5 40.8 20.9 8 8 A S H X S+ 0 0 82 -4,-1.7 4,-1.0 2,-0.2 -1,-0.2 0.924 115.1 40.8 -62.2 -44.6 39.8 42.2 23.9 9 9 A N H X S+ 0 0 101 -4,-2.1 4,-2.0 1,-0.2 3,-0.5 0.925 114.2 53.1 -70.2 -41.7 36.8 43.4 21.9 10 10 A E H X S+ 0 0 0 -4,-3.1 4,-3.1 1,-0.2 -2,-0.2 0.835 101.4 59.4 -63.4 -33.7 36.7 40.3 19.8 11 11 A A H X S+ 0 0 20 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.891 107.8 47.4 -61.7 -36.1 36.6 38.1 22.9 12 12 A T H X S+ 0 0 86 -4,-1.0 4,-1.9 -3,-0.5 -2,-0.2 0.910 112.6 47.8 -70.3 -42.8 33.4 39.9 23.8 13 13 A V H X S+ 0 0 36 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.919 111.0 52.6 -62.7 -42.8 31.9 39.5 20.3 14 14 A A H X S+ 0 0 0 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.905 108.0 49.5 -61.3 -44.4 32.9 35.8 20.3 15 15 A R H X S+ 0 0 64 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.933 113.8 46.6 -62.0 -44.8 31.1 35.0 23.6 16 16 A T H X S+ 0 0 67 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.931 111.4 50.5 -62.9 -47.2 28.0 36.8 22.3 17 17 A A H X S+ 0 0 3 -4,-2.8 4,-0.7 1,-0.2 -1,-0.2 0.871 107.4 53.8 -61.3 -40.1 28.0 35.0 18.9 18 18 A I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 -1,-0.2 0.953 109.2 48.5 -60.7 -46.8 28.4 31.6 20.5 19 19 A L H >< S+ 0 0 43 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.838 104.4 59.9 -62.8 -31.6 25.3 32.2 22.7 20 20 A N H 3< S+ 0 0 34 -4,-1.8 8,-1.9 1,-0.3 9,-0.7 0.685 103.9 53.2 -67.4 -20.8 23.3 33.3 19.7 21 21 A N T << S+ 0 0 0 -3,-1.4 17,-2.9 -4,-0.7 2,-0.5 0.149 92.4 86.1-100.8 15.6 23.9 29.9 18.2 22 22 A I B <> S-A 37 0A 6 -3,-1.4 4,-1.0 15,-0.2 3,-0.5 -0.974 77.6 -88.7-121.3 129.2 22.6 27.8 21.1 23 23 A G T 4 S+ 0 0 1 13,-2.4 12,-2.5 -2,-0.5 10,-0.2 -0.309 84.2 18.5 -73.8 166.8 19.0 26.9 21.5 24 24 A A T 4 S+ 0 0 67 8,-0.5 -1,-0.2 10,-0.3 7,-0.2 -0.950 132.4 20.5-105.8 16.2 16.3 27.5 22.5 25 25 A D T 4 S+ 0 0 136 -3,-0.5 2,-0.3 -6,-0.1 -2,-0.2 0.310 83.7 129.6-117.9 3.1 16.7 31.2 23.1 26 26 A G >< - 0 0 7 -4,-1.0 3,-1.4 3,-0.2 -6,-0.2 -0.483 57.9-137.5 -64.7 123.6 19.7 31.8 20.8 27 27 A A T 3 S+ 0 0 78 -2,-0.3 3,-0.3 1,-0.3 -1,-0.1 0.720 97.8 43.4 -54.5 -29.8 18.9 34.8 18.6 28 28 A W T 3 S+ 0 0 98 -8,-1.9 -1,-0.3 1,-0.2 -7,-0.2 0.535 112.4 50.1 -97.1 -5.8 20.3 33.3 15.4 29 29 A V X + 0 0 1 -3,-1.4 3,-2.5 -9,-0.7 -1,-0.2 -0.135 61.4 169.8-131.0 43.9 19.0 29.7 15.7 30 30 A S T 3 S+ 0 0 110 -3,-0.3 3,-0.1 1,-0.3 -5,-0.1 -0.283 72.3 44.3 -54.3 130.2 15.3 29.7 16.4 31 31 A G T 3 S+ 0 0 54 1,-0.5 -1,-0.3 -7,-0.2 2,-0.2 0.026 83.1 116.6 118.7 -26.5 14.2 26.1 16.0 32 32 A A < - 0 0 3 -3,-2.5 -8,-0.5 -6,-0.2 -1,-0.5 -0.553 66.7-119.8 -75.5 139.6 17.1 24.6 17.9 33 33 A D > - 0 0 69 77,-2.8 3,-1.8 -2,-0.2 -10,-0.3 -0.137 47.9 -63.9 -72.6 172.4 16.0 22.7 21.0 34 34 A S T 3 S+ 0 0 43 1,-0.3 -10,-0.3 -10,-0.1 -1,-0.2 -0.426 122.0 6.2 -63.8 125.0 17.3 23.7 24.5 35 35 A G T 3 S+ 0 0 0 -12,-2.5 2,-0.6 1,-0.3 -1,-0.3 0.480 90.9 140.3 83.1 2.5 21.1 23.2 24.9 36 36 A I < - 0 0 0 -3,-1.8 -13,-2.4 74,-0.1 2,-0.6 -0.725 43.0-149.5 -85.0 117.2 21.6 22.4 21.2 37 37 A V B -A 22 0A 1 -2,-0.6 2,-0.4 -15,-0.2 15,-0.3 -0.770 12.3-150.5 -86.7 118.7 24.7 24.0 19.9 38 38 A V - 0 0 0 -17,-2.9 377,-0.3 -2,-0.6 13,-0.2 -0.755 11.2-137.9 -93.2 136.5 24.2 24.8 16.2 39 39 A A S S- 0 0 1 11,-2.2 376,-2.1 9,-0.5 377,-0.4 0.876 80.7 -21.6 -59.7 -41.4 27.4 24.7 13.9 40 40 A S - 0 0 0 8,-1.1 -1,-0.2 10,-0.3 10,-0.2 -0.950 56.2-120.6-165.2 149.6 26.3 27.8 12.0 41 41 A P S S+ 0 0 10 0, 0.0 2,-0.4 0, 0.0 8,-0.1 0.530 76.4 119.8 -75.7 -1.3 23.0 29.7 11.3 42 42 A S + 0 0 4 370,-0.4 6,-2.3 1,-0.2 7,-0.6 -0.482 37.6 178.3 -67.1 116.8 23.6 29.1 7.6 43 43 A T B +B 47 0B 83 -2,-0.4 2,-0.3 4,-0.2 4,-0.2 0.545 65.4 31.9 -97.1 -7.8 20.7 27.0 6.3 44 44 A D S S+ 0 0 101 2,-0.5 -1,-0.2 1,-0.1 4,-0.1 -0.993 103.4 29.9-155.7 139.1 21.8 26.9 2.7 45 45 A N S S+ 0 0 130 -2,-0.3 365,-0.1 -3,-0.1 -1,-0.1 0.874 142.8 17.3 41.5 67.9 25.0 26.9 0.7 46 46 A P S S- 0 0 12 0, 0.0 2,-1.1 0, 0.0 -2,-0.5 0.560 91.5-153.9 -97.5 163.1 26.2 25.6 2.9 47 47 A D B +B 43 0B 65 -4,-0.2 -4,-0.2 1,-0.2 -2,-0.1 -0.792 32.2 152.7 -92.6 97.6 23.6 24.1 5.2 48 48 A Y + 0 0 29 -6,-2.3 2,-2.2 -2,-1.1 -8,-1.1 0.117 28.7 124.0-107.7 16.8 25.3 23.9 8.6 49 49 A F + 0 0 45 -7,-0.6 61,-0.4 -10,-0.2 2,-0.3 -0.495 53.0 88.2 -81.4 69.8 22.0 24.2 10.5 50 50 A Y S S- 0 0 30 -2,-2.2 -11,-2.2 -10,-0.2 2,-0.5 -0.909 79.7-108.6-151.1 171.6 22.6 20.9 12.4 51 51 A T E -C 108 0C 5 57,-2.6 57,-2.3 -2,-0.3 2,-0.4 -0.957 27.9-160.3-116.7 120.6 24.3 20.0 15.7 52 52 A W E > -C 107 0C 9 -2,-0.5 4,-2.3 -15,-0.3 55,-0.2 -0.855 19.3-137.7 -98.1 140.4 27.6 18.1 15.4 53 53 A T H > S+ 0 0 6 53,-2.3 4,-2.3 -2,-0.4 5,-0.2 0.909 104.5 48.7 -62.4 -39.2 28.8 16.1 18.5 54 54 A R H > S+ 0 0 7 52,-0.4 4,-2.6 2,-0.2 5,-0.3 0.977 112.7 43.4 -65.6 -58.7 32.4 17.4 17.8 55 55 A D H > S+ 0 0 13 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 116.5 49.2 -55.1 -45.2 31.6 21.1 17.4 56 56 A S H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.923 111.7 47.6 -60.1 -47.6 29.2 21.1 20.4 57 57 A G H X S+ 0 0 0 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.881 114.0 47.2 -63.4 -40.2 31.7 19.3 22.7 58 58 A L H X S+ 0 0 10 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.920 114.8 45.8 -67.4 -43.2 34.6 21.6 21.7 59 59 A V H X S+ 0 0 0 -4,-2.6 4,-2.2 -5,-0.3 -2,-0.2 0.928 113.6 48.9 -66.2 -44.6 32.4 24.8 22.2 60 60 A I H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 5,-0.2 0.893 106.6 55.1 -65.8 -38.3 31.0 23.5 25.5 61 61 A K H X S+ 0 0 30 -4,-2.0 4,-2.3 -5,-0.2 -1,-0.2 0.928 108.9 50.4 -59.7 -39.5 34.4 22.7 26.9 62 62 A T H X S+ 0 0 10 -4,-1.6 4,-2.0 1,-0.2 -2,-0.2 0.932 111.8 46.3 -63.1 -45.0 35.4 26.3 26.1 63 63 A L H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.881 109.5 54.6 -66.3 -37.3 32.3 27.6 27.9 64 64 A V H X S+ 0 0 1 -4,-2.9 4,-2.8 2,-0.2 5,-0.2 0.934 108.9 48.6 -61.9 -43.6 32.9 25.3 30.9 65 65 A D H X S+ 0 0 13 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.912 112.5 47.4 -63.9 -40.4 36.5 26.7 31.3 66 66 A L H <>S+ 0 0 25 -4,-2.0 5,-2.3 2,-0.2 -1,-0.2 0.902 112.7 51.0 -65.3 -41.2 35.2 30.3 31.1 67 67 A F H ><5S+ 0 0 4 -4,-2.7 3,-2.1 1,-0.2 -2,-0.2 0.939 108.0 50.3 -59.8 -50.1 32.5 29.4 33.6 68 68 A R H 3<5S+ 0 0 63 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.762 106.9 57.7 -62.0 -24.3 35.1 27.9 36.1 69 69 A N T 3<5S- 0 0 104 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.248 136.5 -78.9 -89.1 9.4 37.1 31.1 35.7 70 70 A G T < 5S+ 0 0 28 -3,-2.1 2,-2.2 1,-0.1 -3,-0.2 0.379 91.3 126.3 115.0 -6.7 34.2 33.3 36.8 71 71 A D > < + 0 0 39 -5,-2.3 3,-1.7 1,-0.2 4,-0.1 -0.470 30.6 166.8 -84.1 70.7 31.8 33.7 33.9 72 72 A T G > + 0 0 27 -2,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.700 58.6 75.9 -59.8 -25.2 29.0 32.4 36.1 73 73 A D G 3 S+ 0 0 128 1,-0.3 3,-0.4 -3,-0.2 4,-0.3 0.603 82.9 70.0 -63.7 -13.6 26.2 33.5 33.7 74 74 A L G <> S+ 0 0 1 -3,-1.7 4,-2.1 1,-0.2 3,-0.3 0.550 70.4 97.4 -81.4 -6.8 27.0 30.5 31.5 75 75 A L H <> S+ 0 0 23 -3,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.893 81.4 47.4 -48.8 -51.7 25.7 28.1 34.1 76 76 A S H > S+ 0 0 59 -3,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.873 109.3 54.7 -61.5 -38.8 22.2 27.6 32.5 77 77 A T H > S+ 0 0 18 -4,-0.3 4,-2.2 -3,-0.3 -1,-0.2 0.942 109.7 46.8 -59.9 -45.9 23.7 27.1 29.0 78 78 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.916 112.1 49.9 -64.9 -43.1 25.9 24.3 30.3 79 79 A E H X S+ 0 0 28 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.923 109.9 50.9 -61.5 -44.3 23.0 22.6 32.2 80 80 A H H X S+ 0 0 66 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.908 109.2 52.3 -60.7 -40.0 20.8 22.8 29.1 81 81 A Y H X S+ 0 0 2 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.945 109.8 47.1 -61.8 -48.2 23.6 21.2 27.0 82 82 A I H X S+ 0 0 1 -4,-2.3 4,-1.4 1,-0.2 -2,-0.2 0.932 112.3 50.2 -61.3 -43.8 24.0 18.3 29.4 83 83 A S H X S+ 0 0 34 -4,-2.5 4,-1.1 1,-0.2 3,-0.4 0.923 108.8 52.7 -60.2 -43.2 20.2 17.7 29.6 84 84 A S H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 3,-0.3 0.873 106.2 54.0 -61.8 -34.7 20.0 17.7 25.8 85 85 A Q H X S+ 0 0 6 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.804 96.7 63.4 -73.1 -27.2 22.7 15.1 25.6 86 86 A A H X S+ 0 0 8 -4,-1.4 4,-0.5 -3,-0.4 374,-0.3 0.889 112.4 39.2 -60.7 -37.2 20.9 12.7 27.9 87 87 A I H >X S+ 0 0 95 -4,-1.1 3,-1.3 -3,-0.3 4,-0.5 0.948 113.0 53.5 -75.6 -52.8 18.2 12.7 25.1 88 88 A I H >< S+ 0 0 3 -4,-2.6 3,-1.5 1,-0.3 -2,-0.2 0.867 100.7 61.5 -51.3 -42.6 20.6 12.6 22.1 89 89 A Q H 3< S+ 0 0 5 -4,-2.6 -1,-0.3 1,-0.3 -2,-0.2 0.819 106.9 46.0 -55.0 -33.7 22.5 9.6 23.4 90 90 A G H << S+ 0 0 40 -3,-1.3 2,-0.4 -4,-0.5 -1,-0.3 0.482 82.9 116.0 -90.3 -3.8 19.3 7.5 23.2 91 91 A V << - 0 0 26 -3,-1.5 2,-0.2 -4,-0.5 5,-0.1 -0.533 67.4-129.8 -71.8 118.1 18.2 8.6 19.7 92 92 A S + 0 0 77 -2,-0.4 22,-0.2 5,-0.1 5,-0.2 -0.518 44.3 160.4 -65.6 131.5 18.2 5.7 17.3 93 93 A N B > -E 96 0D 17 3,-2.3 3,-1.9 -2,-0.2 23,-0.1 -0.851 56.5 -77.9-145.8 177.4 20.2 6.8 14.2 94 94 A P T 3 S+ 0 0 60 0, 0.0 3,-0.1 0, 0.0 22,-0.1 0.746 126.9 55.0 -55.7 -23.1 22.1 5.4 11.2 95 95 A S T 3 S- 0 0 25 1,-0.3 2,-0.3 7,-0.2 8,-0.1 0.638 120.3-102.8 -83.7 -13.6 25.2 4.5 13.4 96 96 A G B < -E 93 0D 17 -3,-1.9 -3,-2.3 5,-0.2 -1,-0.3 -0.894 44.2 -51.8 130.7-161.2 22.9 2.5 15.8 97 97 A D > > - 0 0 76 -2,-0.3 5,-2.8 -5,-0.2 3,-1.1 -0.489 68.6 -75.9-105.4-177.1 21.3 2.8 19.2 98 98 A L T 3 5S+ 0 0 24 1,-0.3 3,-0.4 -8,-0.2 5,-0.4 0.871 131.9 28.2 -48.5 -49.0 22.7 3.7 22.6 99 99 A S T 3 5S+ 0 0 72 1,-0.2 -1,-0.3 3,-0.1 -9,-0.0 0.437 118.6 57.6 -97.4 2.8 24.4 0.3 23.1 100 100 A S T < 5S- 0 0 61 -3,-1.1 -1,-0.2 0, 0.0 -2,-0.2 0.093 127.9 -67.9-122.6 23.1 25.0 -0.7 19.5 101 101 A G T > 5S+ 0 0 9 -3,-0.4 3,-1.9 -4,-0.4 -5,-0.2 0.277 91.5 124.0 114.5 -8.0 27.1 2.1 18.0 102 103 A G G > < + 0 0 3 -5,-2.8 3,-1.6 1,-0.3 -6,-0.2 0.742 63.5 70.9 -57.5 -26.7 24.7 5.1 18.0 103 104 A L G 3 S+ 0 0 6 -6,-0.5 -1,-0.3 -5,-0.4 -5,-0.1 0.705 88.8 64.0 -65.8 -18.8 27.1 7.3 20.0 104 105 A G G < S+ 0 0 0 -3,-1.9 19,-2.5 -9,-0.1 -1,-0.3 0.455 71.3 125.4 -83.9 -0.4 29.5 7.6 17.1 105 106 A E < - 0 0 2 -3,-1.6 -52,-0.3 17,-0.2 16,-0.1 -0.385 54.6-146.5 -61.8 128.7 26.9 9.4 14.9 106 107 A P + 0 0 4 0, 0.0 -53,-2.3 0, 0.0 -52,-0.4 0.907 66.0 4.9 -65.3 -49.0 28.4 12.7 13.6 107 108 A K E -C 52 0C 4 -55,-0.2 8,-0.6 8,-0.1 2,-0.3 -0.937 53.2-164.2-141.8 163.5 25.4 15.1 13.5 108 109 A F E -CD 51 114C 5 -57,-2.3 -57,-2.6 -2,-0.3 6,-0.2 -0.898 37.7 -90.5-137.8 164.6 21.7 15.4 14.4 109 110 A N > - 0 0 42 4,-2.6 3,-1.9 -2,-0.3 -59,-0.2 -0.449 42.8-110.8 -74.2 155.7 19.0 17.8 13.4 110 111 A V T 3 S+ 0 0 13 -61,-0.4 -77,-2.8 1,-0.3 -74,-0.1 0.643 117.5 61.3 -64.7 -14.8 18.6 20.8 15.7 111 112 A D T 3 S- 0 0 90 -79,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.241 122.5-104.8 -93.3 10.1 15.2 19.5 17.0 112 113 A E S < S+ 0 0 17 -3,-1.9 2,-0.2 1,-0.3 -2,-0.1 0.571 79.4 130.5 76.0 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0.770 114.6 56.1 -57.8 -25.4 47.6 21.1 1.3 307 308 A E T 3 S+ 0 0 77 -3,-0.0 6,-0.0 2,-0.0 -67,-0.0 0.447 79.7 132.5 -85.4 -0.1 45.5 18.7 -0.8 308 309 A D < + 0 0 12 -3,-1.8 -5,-0.0 1,-0.1 0, 0.0 -0.220 25.5 169.2 -58.2 134.4 42.2 20.3 0.3 309 310 A S > + 0 0 94 4,-0.1 3,-3.0 2,-0.0 2,-0.3 0.335 30.7 130.7-125.8 3.7 39.6 21.2 -2.4 310 311 A Y G > S- 0 0 73 1,-0.3 3,-2.1 2,-0.3 4,-0.4 -0.446 98.6 -7.2 -64.3 118.0 36.6 22.0 -0.2 311 312 A Y G 3 S- 0 0 85 -2,-0.3 -1,-0.3 1,-0.3 -3,-0.0 0.753 137.8 -56.9 57.6 29.2 35.4 25.3 -1.6 312 313 A N G < S- 0 0 130 -3,-3.0 -1,-0.3 2,-0.1 -2,-0.3 0.268 95.9 -70.9 84.2 0.3 38.6 25.1 -3.6 313 314 A G S < S+ 0 0 2 -3,-2.1 90,-0.1 -4,-0.1 -2,-0.1 0.800 70.7 169.2 83.6 101.2 40.9 24.7 -0.6 314 315 A N - 0 0 1 -4,-0.4 -10,-0.5 88,-0.1 88,-0.2 -0.853 40.0 -83.4-138.2 167.6 41.3 27.9 1.5 315 316 A P - 0 0 0 0, 0.0 86,-2.0 0, 0.0 2,-0.4 -0.410 42.4-142.4 -70.8 156.0 42.7 28.9 4.9 316 317 A W B > -I 400 0H 10 -14,-2.2 4,-2.2 84,-0.2 -14,-0.3 -0.953 11.4-135.0-119.6 141.2 40.4 28.4 7.9 317 318 A F H > S+ 0 0 0 82,-1.3 4,-2.5 -2,-0.4 5,-0.2 0.938 107.8 48.8 -60.6 -44.9 40.1 30.8 10.8 318 319 A L H > S+ 0 0 2 81,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.816 111.6 50.0 -67.4 -28.0 40.2 28.0 13.4 319 320 A C H > S+ 0 0 0 -17,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.872 111.0 47.7 -76.0 -39.4 43.3 26.4 11.7 320 321 A T H X S+ 0 0 0 -4,-2.2 4,-1.2 -18,-0.4 -2,-0.2 0.909 113.2 49.8 -67.2 -39.2 45.2 29.7 11.6 321 322 A L H X S+ 0 0 1 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.872 105.7 56.1 -66.7 -36.6 44.3 30.2 15.3 322 323 A A H X S+ 0 0 2 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.863 102.0 57.3 -64.0 -35.5 45.4 26.7 16.2 323 324 A A H X S+ 0 0 0 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.891 112.6 40.7 -62.2 -38.3 48.9 27.5 14.7 324 325 A A H X S+ 0 0 0 -4,-1.2 4,-2.1 -3,-0.2 3,-0.4 0.921 111.7 56.1 -75.2 -44.3 49.1 30.4 17.2 325 326 A E H X S+ 0 0 2 -4,-3.0 4,-2.3 1,-0.2 5,-0.2 0.864 101.0 56.2 -58.4 -40.0 47.6 28.5 20.1 326 327 A Q H X S+ 0 0 1 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.915 110.4 47.0 -59.8 -39.0 50.2 25.7 20.0 327 328 A L H X S+ 0 0 0 -4,-0.8 4,-2.6 -3,-0.4 -2,-0.2 0.888 108.8 52.2 -70.4 -40.5 52.9 28.4 20.4 328 329 A Y H X S+ 0 0 5 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.907 111.2 49.6 -61.5 -38.3 51.2 30.2 23.2 329 330 A D H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.924 110.3 49.8 -63.9 -46.3 50.9 26.8 25.0 330 331 A A H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.911 108.3 52.8 -60.3 -41.9 54.6 26.1 24.4 331 332 A L H X S+ 0 0 30 -4,-2.6 4,-2.4 1,-0.2 -1,-0.2 0.919 109.7 49.7 -59.8 -42.8 55.6 29.6 25.8 332 333 A Y H X S+ 0 0 53 -4,-1.9 4,-2.6 1,-0.2 -1,-0.2 0.929 111.4 48.1 -62.0 -46.0 53.6 28.8 28.9 333 334 A Q H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 6,-0.2 0.917 112.2 48.1 -63.2 -44.2 55.3 25.4 29.3 334 335 A W H X>S+ 0 0 3 -4,-2.8 4,-1.9 2,-0.2 5,-1.2 0.919 113.0 49.0 -62.3 -43.7 58.8 26.8 28.8 335 336 A D H <5S+ 0 0 114 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.936 112.2 47.4 -61.5 -46.8 58.1 29.6 31.3 336 337 A K H <5S+ 0 0 119 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.860 115.5 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89.0 101.8 -97.3 0.6 63.2 20.6 16.6 347 348 A L H X S+ 0 0 36 -4,-1.4 4,-3.0 1,-0.2 5,-0.2 0.898 79.6 52.7 -51.7 -48.5 66.2 22.4 15.4 348 349 A D H > S+ 0 0 116 -4,-0.4 4,-1.7 -3,-0.2 -1,-0.2 0.860 105.3 55.1 -58.1 -38.6 64.6 23.5 12.1 349 350 A F H > S+ 0 0 6 -3,-0.5 4,-0.7 -4,-0.2 -1,-0.2 0.947 115.4 38.7 -58.3 -49.9 61.6 25.0 13.9 350 351 A F H >X S+ 0 0 2 -4,-1.7 4,-2.4 1,-0.2 3,-0.8 0.903 111.0 57.7 -69.1 -42.0 63.9 27.2 16.0 351 352 A K H 3< S+ 0 0 91 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.840 99.8 58.9 -58.6 -36.6 66.4 28.1 13.2 352 353 A A H 3< S+ 0 0 29 -4,-1.7 -1,-0.3 -5,-0.2 3,-0.2 0.845 117.3 32.9 -62.7 -30.9 63.7 29.5 11.0 353 354 A L H << S+ 0 0 28 -3,-0.8 2,-0.3 -4,-0.7 -2,-0.2 0.719 133.2 25.0 -97.3 -26.9 62.8 32.0 13.8 354 355 A Y >< - 0 0 68 -4,-2.4 3,-2.3 1,-0.1 -1,-0.3 -0.848 67.4-159.7-142.4 98.4 66.3 32.6 15.4 355 356 A S T 3 S+ 0 0 105 -2,-0.3 -4,-0.1 1,-0.3 -1,-0.1 0.721 89.2 61.9 -55.2 -23.8 69.2 31.9 13.0 356 357 A G T 3 S+ 0 0 51 -6,-0.1 -1,-0.3 2,-0.0 -5,-0.1 0.410 75.8 135.7 -84.3 5.3 71.7 31.5 15.8 357 358 A A < + 0 0 2 -3,-2.3 2,-0.3 -7,-0.2 -6,-0.0 -0.197 25.6 170.1 -56.2 139.5 69.8 28.5 17.2 358 359 A A - 0 0 47 2,-0.0 -16,-0.1 -8,-0.0 -2,-0.0 -0.981 40.9 -87.3-147.9 151.4 71.8 25.5 18.2 359 360 A T S S+ 0 0 72 -2,-0.3 2,-0.3 -18,-0.1 -16,-0.2 -0.250 77.7 85.4 -60.6 147.2 71.0 22.3 20.1 360 361 A G E S-K 342 0I 28 -18,-2.1 -18,-2.8 2,-0.0 2,-0.5 -0.881 77.6 -68.7 149.8-177.8 71.3 22.5 23.9 361 362 A T E -K 341 0I 99 -2,-0.3 2,-0.5 -20,-0.2 -20,-0.2 -0.933 40.1-163.1-111.5 128.7 69.4 23.5 27.1 362 363 A Y E -K 340 0I 40 -22,-3.4 -22,-2.0 -2,-0.5 -2,-0.0 -0.943 9.9-142.7-120.0 115.6 68.6 27.2 27.7 363 364 A S E > -K 339 0I 55 -2,-0.5 3,-1.8 -24,-0.2 6,-0.4 -0.321 28.9-109.5 -70.5 157.8 67.6 28.5 31.1 364 365 A S T 3 S+ 0 0 58 -26,-2.4 -25,-0.1 1,-0.3 -1,-0.1 0.631 117.7 54.3 -64.6 -12.5 65.0 31.2 31.3 365 366 A S T 3 S+ 0 0 109 -27,-0.3 -1,-0.3 4,-0.1 -26,-0.1 0.531 88.2 105.1 -96.5 -8.0 67.7 33.8 32.4 366 367 A S S <> S- 0 0 29 -3,-1.8 4,-2.0 1,-0.1 5,-0.1 -0.297 76.8-124.8 -74.3 156.4 69.9 33.1 29.4 367 368 A S H > S+ 0 0 102 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.904 111.4 53.9 -65.9 -41.7 70.3 35.5 26.4 368 369 A T H > S+ 0 0 32 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.916 107.1 51.0 -59.3 -45.1 69.4 32.7 23.9 369 370 A Y H > S+ 0 0 15 -6,-0.4 4,-2.9 1,-0.2 5,-0.3 0.958 110.4 49.4 -56.9 -52.2 66.1 31.9 25.8 370 371 A S H X S+ 0 0 65 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.875 112.4 47.7 -54.7 -43.8 65.1 35.6 25.8 371 372 A S H X S+ 0 0 53 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.916 114.2 46.4 -65.0 -44.7 65.8 35.9 22.0 372 373 A I H X S+ 0 0 2 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.934 111.8 48.0 -66.4 -48.8 63.9 32.7 21.2 373 374 A V H X S+ 0 0 31 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.886 111.5 51.9 -62.6 -35.2 60.8 33.4 23.3 374 375 A S H X S+ 0 0 74 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.935 112.3 45.6 -63.5 -45.4 60.5 36.9 21.9 375 376 A A H X S+ 0 0 25 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.893 113.4 49.5 -65.0 -42.1 60.7 35.5 18.3 376 377 A V H X S+ 0 0 0 -4,-2.7 4,-2.8 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-1,-0.2 -3,-0.7 -2,-0.2 0.434 89.5 107.5-107.2 0.8 40.2 39.1 7.5 391 392 A A S << S- 0 0 17 -4,-1.1 6,-0.2 -3,-0.6 5,-0.1 -0.386 82.1 -94.9 -71.8 155.3 37.5 39.1 10.1 392 393 A A > - 0 0 33 4,-2.2 3,-2.5 1,-0.1 -1,-0.1 -0.338 38.5-103.8 -67.6 159.3 34.4 41.2 9.2 393 394 A S T 3 S+ 0 0 139 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.773 123.6 48.1 -56.3 -29.6 34.3 44.8 10.5 394 395 A N T 3 S- 0 0 113 2,-0.0 -1,-0.3 -381,-0.0 -2,-0.1 0.302 126.8 -98.3 -94.1 7.9 31.8 43.8 13.2 395 396 A G < + 0 0 3 -3,-2.5 -2,-0.1 1,-0.3 -4,-0.0 0.387 67.5 156.0 95.7 -3.9 33.9 40.8 14.3 396 397 A S - 0 0 21 -5,-0.1 -4,-2.2 1,-0.1 2,-0.5 -0.296 25.4-158.8 -60.5 138.5 32.1 38.0 12.4 397 398 A L - 0 0 0 -6,-0.2 17,-1.5 17,-0.1 21,-0.2 -0.984 6.1-167.5-123.1 121.6 34.1 34.9 11.7 398 399 A S - 0 0 2 -2,-0.5 -81,-0.3 15,-0.2 14,-0.2 -0.171 39.0 -97.7 -90.0-170.4 33.2 32.5 9.0 399 400 A E S S+ 0 0 6 12,-1.6 -82,-1.3 10,-0.6 -81,-0.4 0.939 99.9 12.1 -75.9 -46.2 34.6 29.0 8.4 400 401 A Q E -IJ 316 409H 0 9,-1.9 9,-2.3 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