==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-OCT-93 1GHR . COMPND 2 MOLECULE: 1,3-1,4-BETA-GLUCANASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR J.N.VARGHESE,T.P.J.GARRETT . 306 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 69.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 13.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 3.9 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 . 22 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 27.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.3 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 1 0 2 1 0 0 0 2 0 0 3 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 3 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 PARALLEL BRIDGES PER LADDER . 2 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 1 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 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 I 0 0 33 0, 0.0 28,-1.4 0, 0.0 27,-0.7 0.000 360.0 360.0 360.0 173.8 41.8 -30.6 18.5 2 2 A G E -ab 29 273A 1 270,-2.8 272,-2.4 26,-0.2 2,-0.3 -0.672 360.0-155.6-108.3 166.7 42.9 -27.6 16.3 3 3 A V E -ab 30 274A 0 26,-1.2 28,-1.8 270,-0.3 2,-0.6 -0.995 20.6-120.3-142.2 138.7 46.4 -26.6 15.2 4 4 A C E -ab 31 275A 0 270,-3.5 273,-2.6 -2,-0.3 2,-1.3 -0.712 17.4-149.2 -83.3 119.2 47.6 -23.1 14.1 5 5 A Y - 0 0 10 26,-2.7 28,-0.5 -2,-0.6 2,-0.3 -0.726 23.3-178.6 -89.2 83.3 48.9 -23.1 10.6 6 6 A G - 0 0 5 -2,-1.3 272,-0.2 272,-0.1 26,-0.0 -0.711 13.3-170.1 -84.1 141.0 51.6 -20.4 10.8 7 7 A M + 0 0 76 -2,-0.3 2,-1.7 1,-0.1 5,-0.1 0.032 41.9 125.1-125.1 34.8 53.4 -19.6 7.6 8 8 A S + 0 0 53 2,-0.0 274,-2.2 272,-0.0 2,-0.3 -0.436 56.9 89.1 -92.6 63.7 56.3 -17.4 8.6 9 9 A A - 0 0 19 -2,-1.7 3,-0.2 272,-0.2 271,-0.1 -0.973 69.3-140.5-153.2 155.2 58.9 -19.6 7.1 10 10 A N S S+ 0 0 111 -2,-0.3 270,-0.0 1,-0.1 -2,-0.0 0.345 94.1 49.7-102.7 8.5 60.5 -19.9 3.7 11 11 A N S S+ 0 0 76 2,-0.0 -1,-0.1 0, 0.0 269,-0.0 -0.045 70.1 131.3-140.3 38.9 60.6 -23.7 3.5 12 12 A L - 0 0 42 -3,-0.2 3,-0.1 1,-0.1 285,-0.1 -0.488 60.0 -95.0 -89.0 161.6 57.3 -25.3 4.3 13 13 A P - 0 0 30 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.112 55.0 -79.7 -56.1 166.7 55.5 -28.1 2.3 14 14 A A >> - 0 0 58 1,-0.1 4,-2.1 4,-0.0 3,-0.7 -0.394 44.5-108.5 -70.9 153.2 52.9 -27.1 -0.3 15 15 A A H 3> S+ 0 0 14 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.865 119.1 55.6 -50.6 -41.9 49.4 -26.3 1.2 16 16 A S H 3> S+ 0 0 74 1,-0.2 4,-1.2 2,-0.2 -1,-0.3 0.859 107.1 48.3 -60.8 -40.6 48.1 -29.6 -0.2 17 17 A T H <> S+ 0 0 56 -3,-0.7 4,-1.6 2,-0.2 -1,-0.2 0.886 109.8 53.1 -67.1 -43.4 50.7 -31.7 1.5 18 18 A V H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.908 105.9 54.3 -58.1 -40.8 50.0 -29.8 4.8 19 19 A V H X S+ 0 0 4 -4,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.822 106.0 52.0 -64.6 -30.1 46.3 -30.6 4.5 20 20 A S H X S+ 0 0 56 -4,-1.2 4,-2.8 2,-0.2 -1,-0.2 0.838 105.1 55.6 -73.5 -34.8 47.2 -34.3 4.1 21 21 A M H X S+ 0 0 17 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.884 107.6 49.1 -63.1 -40.4 49.2 -34.1 7.3 22 22 A F H X>S+ 0 0 0 -4,-1.8 5,-2.8 2,-0.2 4,-1.0 0.972 113.2 48.2 -60.7 -52.6 46.1 -32.7 9.1 23 23 A K H ><5S+ 0 0 117 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.908 114.4 42.9 -54.9 -50.9 44.0 -35.6 7.7 24 24 A S H 3<5S+ 0 0 100 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.806 115.4 48.2 -72.3 -30.5 46.4 -38.4 8.6 25 25 A N H 3<5S- 0 0 37 -4,-1.9 281,-0.5 -5,-0.2 -1,-0.2 0.605 113.0-116.7 -84.4 -6.8 47.2 -37.1 12.0 26 26 A G T <<5 + 0 0 32 -4,-1.0 2,-1.0 -3,-0.6 -3,-0.2 0.829 53.3 163.1 76.7 33.8 43.5 -36.6 12.8 27 27 A I < - 0 0 3 -5,-2.8 -1,-0.2 -6,-0.2 -25,-0.1 -0.792 17.7-170.5 -91.1 102.6 43.7 -32.8 13.3 28 28 A K + 0 0 130 -2,-1.0 21,-2.5 -27,-0.7 2,-0.3 0.701 60.8 39.3 -65.6 -27.7 40.1 -31.7 13.0 29 29 A S E -ac 2 49A 8 -28,-1.4 -26,-1.2 19,-0.2 2,-0.4 -0.944 58.9-160.8-132.7 158.6 40.6 -28.0 12.8 30 30 A M E -ac 3 50A 0 19,-2.7 21,-2.1 -2,-0.3 2,-0.5 -0.997 5.9-154.9-136.7 138.0 42.9 -25.4 11.3 31 31 A R E -ac 4 51A 4 -28,-1.8 -26,-2.7 -2,-0.4 2,-0.3 -0.944 11.8-174.3-116.9 125.8 43.7 -21.8 12.1 32 32 A L E - c 0 52A 1 19,-2.4 21,-0.5 -2,-0.5 -26,-0.1 -0.884 19.6-148.9-113.8 153.5 45.0 -19.5 9.4 33 33 A Y S S+ 0 0 61 -28,-0.5 58,-0.1 -2,-0.3 19,-0.1 0.461 81.8 12.9-106.6 9.0 46.0 -16.0 10.1 34 34 A A S S- 0 0 35 20,-0.1 2,-1.8 21,-0.1 -1,-0.2 -0.958 97.4 -81.8-174.8 151.0 45.1 -14.6 6.8 35 35 A P - 0 0 31 0, 0.0 2,-0.8 0, 0.0 17,-0.1 -0.491 50.2-171.5 -64.9 84.5 43.1 -15.8 3.8 36 36 A N > - 0 0 46 -2,-1.8 4,-2.5 1,-0.2 5,-0.2 -0.732 12.5-155.5 -82.2 115.3 45.8 -17.9 2.1 37 37 A Q H > S+ 0 0 112 -2,-0.8 4,-2.2 1,-0.2 5,-0.2 0.841 90.8 51.3 -56.9 -41.8 44.5 -19.0 -1.3 38 38 A A H > S+ 0 0 52 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.922 114.8 43.3 -61.2 -45.0 46.6 -22.1 -1.6 39 39 A A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.915 115.1 48.8 -67.9 -43.2 45.5 -23.3 1.8 40 40 A L H X S+ 0 0 1 -4,-2.5 4,-1.0 1,-0.2 -1,-0.2 0.854 111.8 48.9 -66.4 -35.2 41.9 -22.4 1.3 41 41 A Q H < S+ 0 0 114 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.881 115.7 45.8 -72.9 -32.9 41.8 -24.2 -2.1 42 42 A A H < S+ 0 0 28 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.947 109.6 49.9 -75.6 -44.5 43.4 -27.2 -0.6 43 43 A V H >< S+ 0 0 2 -4,-3.0 3,-1.8 -5,-0.1 5,-0.5 0.697 83.2 116.4 -72.1 -19.5 41.3 -27.6 2.6 44 44 A G T 3< S+ 0 0 20 -4,-1.0 39,-0.3 1,-0.3 -3,-0.0 -0.116 81.0 10.7 -53.5 140.7 38.0 -27.4 0.7 45 45 A G T 3 S+ 0 0 56 37,-3.3 -1,-0.3 1,-0.1 38,-0.1 0.496 99.4 103.1 67.1 10.0 35.8 -30.5 0.8 46 46 A T S < S- 0 0 45 -3,-1.8 -2,-0.1 2,-0.2 3,-0.1 0.461 85.6-123.1-100.0 -6.3 38.0 -32.2 3.5 47 47 A G + 0 0 51 1,-0.3 2,-0.4 -4,-0.2 -3,-0.1 0.494 64.7 139.3 79.3 -2.8 35.7 -31.6 6.6 48 48 A I - 0 0 8 -5,-0.5 36,-0.7 -19,-0.1 -1,-0.3 -0.668 54.6-125.7 -76.5 130.1 38.6 -29.9 8.4 49 49 A N E -cd 29 84A 43 -21,-2.5 -19,-2.7 -2,-0.4 2,-0.4 -0.545 26.5-151.9 -76.3 145.2 37.1 -26.9 10.2 50 50 A V E -cd 30 85A 0 34,-2.7 36,-3.5 -2,-0.2 37,-0.8 -0.952 20.1-164.7-130.8 135.7 38.7 -23.5 9.5 51 51 A V E -cd 31 87A 0 -21,-2.1 -19,-2.4 -2,-0.4 2,-0.5 -0.975 21.9-165.1-110.0 118.5 39.2 -20.3 11.4 52 52 A V E -cd 32 88A 0 35,-2.0 37,-1.9 -2,-0.5 2,-0.3 -0.957 7.1-151.7-110.2 130.8 40.2 -17.7 8.8 53 53 A G E - d 0 89A 4 -21,-0.5 37,-0.2 -2,-0.5 39,-0.1 -0.681 13.1-134.4-107.6 158.1 41.6 -14.5 10.1 54 54 A A E - d 0 90A 3 35,-2.3 37,-1.6 -2,-0.3 -20,-0.1 -0.947 36.1-116.8-105.3 117.4 41.7 -10.9 8.9 55 55 A P > - 0 0 44 0, 0.0 3,-1.3 0, 0.0 4,-0.4 -0.200 20.7-117.9 -50.1 148.3 45.2 -9.5 9.3 56 56 A N G > S+ 0 0 68 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.757 109.6 64.3 -61.7 -28.0 45.5 -6.5 11.7 57 57 A D G 3 S+ 0 0 140 1,-0.2 -1,-0.2 2,-0.1 4,-0.2 0.694 100.0 51.4 -76.0 -10.0 46.6 -4.1 8.9 58 58 A V G X> S+ 0 0 31 -3,-1.3 4,-2.3 1,-0.1 3,-0.5 0.536 83.3 92.3-101.9 -2.6 43.2 -4.4 7.1 59 59 A L H <> S+ 0 0 4 -3,-0.8 4,-3.1 -4,-0.4 5,-0.3 0.917 81.1 54.6 -56.9 -49.0 41.1 -3.6 10.1 60 60 A S H 3> S+ 0 0 69 -4,-0.4 4,-2.2 1,-0.2 -1,-0.3 0.852 111.4 48.7 -53.3 -34.0 40.9 0.1 9.4 61 61 A N H <> S+ 0 0 82 -3,-0.5 4,-1.6 -4,-0.2 -1,-0.2 0.903 112.6 44.6 -73.2 -46.2 39.6 -0.8 6.0 62 62 A L H < S+ 0 0 0 -4,-2.3 7,-0.3 1,-0.2 -2,-0.2 0.830 115.7 49.9 -68.4 -30.6 37.0 -3.3 7.3 63 63 A A H < S+ 0 0 13 -4,-3.1 -2,-0.2 -5,-0.2 -1,-0.2 0.936 108.2 51.7 -73.7 -47.9 35.9 -0.8 9.9 64 64 A A H < S+ 0 0 85 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.1 0.888 114.0 33.0 -59.4 -49.2 35.6 2.2 7.6 65 65 A S X - 0 0 43 -4,-1.6 4,-1.8 1,-0.1 -1,-0.2 -0.953 49.9-160.5-121.4 131.9 33.3 0.7 5.0 66 66 A P H > S+ 0 0 83 0, 0.0 4,-2.6 0, 0.0 -1,-0.1 0.882 105.4 54.3 -57.8 -40.2 30.5 -1.9 5.1 67 67 A A H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.815 105.1 53.9 -66.4 -30.7 31.1 -2.3 1.4 68 68 A A H > S+ 0 0 16 2,-0.2 4,-1.9 -7,-0.2 -1,-0.2 0.892 108.9 47.8 -67.3 -46.4 34.8 -3.0 2.2 69 69 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 -7,-0.3 -2,-0.2 0.906 111.1 53.2 -59.2 -43.7 33.7 -5.7 4.6 70 70 A A H X S+ 0 0 43 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.926 107.1 48.9 -60.2 -48.1 31.5 -7.0 1.9 71 71 A S H X S+ 0 0 60 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.882 110.1 53.2 -59.6 -39.3 34.2 -7.3 -0.7 72 72 A W H X S+ 0 0 23 -4,-1.9 4,-2.8 1,-0.2 5,-0.3 0.889 110.4 46.2 -60.9 -48.8 36.4 -9.1 1.8 73 73 A V H X>S+ 0 0 2 -4,-2.2 5,-2.8 3,-0.2 4,-2.1 0.873 111.2 53.4 -63.3 -37.1 33.8 -11.7 2.5 74 74 A K H <>S+ 0 0 112 -4,-2.4 5,-0.6 3,-0.2 -2,-0.2 0.932 119.0 33.0 -65.0 -43.3 33.1 -12.1 -1.2 75 75 A S H <5S+ 0 0 57 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.841 129.7 33.1 -83.5 -33.6 36.7 -12.8 -2.1 76 76 A N H <5S+ 0 0 31 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.692 133.5 17.4 -99.7 -19.8 37.8 -14.6 1.0 77 77 A I T ><5S+ 0 0 2 -4,-2.1 3,-2.1 -5,-0.3 6,-0.2 0.742 127.3 43.4-115.4 -59.5 34.8 -16.5 2.3 78 78 A Q T 3 - 0 0 73 -2,-0.2 3,-0.8 1,-0.2 4,-0.4 -0.621 37.0 -27.7-101.6 166.6 47.2 -3.4 20.5 96 96 A G T 3 S+ 0 0 43 1,-0.2 2,-3.8 -2,-0.2 -1,-0.2 0.633 118.0 1.8 -5.1 149.6 46.5 0.3 21.3 97 97 A G T > S+ 0 0 63 1,-0.3 3,-1.9 2,-0.1 -1,-0.2 -0.191 121.0 67.8 62.6 -60.8 44.8 2.8 19.1 98 98 A A G X S+ 0 0 49 -2,-3.8 3,-2.2 -3,-0.8 4,-0.3 0.749 82.9 76.6 -60.2 -24.1 44.1 0.3 16.4 99 99 A T G > S+ 0 0 22 -4,-0.4 3,-0.7 1,-0.3 4,-0.5 0.635 77.0 76.2 -62.2 -12.9 41.7 -1.3 18.9 100 100 A R G < S+ 0 0 204 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.759 95.5 47.9 -67.9 -26.2 39.4 1.6 18.0 101 101 A N G <> S+ 0 0 52 -3,-2.2 4,-1.9 -4,-0.2 5,-0.3 0.465 87.4 94.4 -94.8 -2.8 38.6 -0.2 14.8 102 102 A L H <> S+ 0 0 4 -3,-0.7 4,-2.4 -4,-0.3 3,-0.3 0.968 88.7 34.5 -52.5 -71.0 38.0 -3.6 16.5 103 103 A V H > S+ 0 0 21 -4,-0.5 4,-3.3 1,-0.2 5,-0.2 0.871 117.6 52.5 -57.3 -43.3 34.2 -3.5 17.0 104 104 A P H > S+ 0 0 49 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.855 112.0 46.1 -60.1 -42.1 33.3 -1.6 13.7 105 105 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 -3,-0.3 5,-0.3 0.931 114.9 48.3 -66.3 -45.9 35.3 -4.1 11.6 106 106 A M H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.3 -1,-0.2 0.896 111.7 49.7 -60.2 -41.0 33.7 -6.9 13.5 107 107 A K H X S+ 0 0 106 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.935 112.6 47.5 -63.8 -44.7 30.2 -5.3 13.0 108 108 A N H X S+ 0 0 33 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.888 111.8 46.9 -65.8 -38.9 30.8 -4.9 9.3 109 109 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 5,-0.2 0.959 113.6 51.9 -68.4 -43.7 32.2 -8.5 8.6 110 110 A H H X S+ 0 0 61 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.919 109.8 46.4 -55.9 -51.5 29.3 -9.8 10.6 111 111 A G H X S+ 0 0 36 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.887 111.3 52.9 -60.3 -42.0 26.6 -7.9 8.6 112 112 A A H X S+ 0 0 17 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.890 111.4 47.0 -58.6 -39.5 28.3 -8.9 5.3 113 113 A L H <>S+ 0 0 0 -4,-2.4 5,-3.1 2,-0.2 4,-0.5 0.905 112.0 48.6 -72.3 -42.5 28.1 -12.5 6.4 114 114 A V H ><5S+ 0 0 80 -4,-2.7 3,-1.1 1,-0.2 5,-0.3 0.909 109.4 54.4 -65.6 -38.0 24.5 -12.3 7.5 115 115 A A H 3<5S+ 0 0 87 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.865 108.4 48.9 -63.3 -33.7 23.6 -10.6 4.2 116 116 A A T 3<5S- 0 0 39 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.514 117.7-113.3 -83.1 -8.2 25.2 -13.5 2.3 117 117 A G T < 5S+ 0 0 59 -3,-1.1 -3,-0.2 -4,-0.5 -2,-0.1 0.845 87.3 117.0 78.2 31.4 23.2 -16.0 4.4 118 118 A L > < + 0 0 42 -5,-3.1 3,-2.2 -6,-0.1 -4,-0.2 -0.076 22.7 133.5-119.4 33.1 26.4 -17.3 6.0 119 119 A G T 3 + 0 0 38 -6,-0.3 -5,-0.1 1,-0.3 -1,-0.1 0.462 55.6 79.4 -62.9 -3.4 25.5 -16.2 9.5 120 120 A H T 3 S+ 0 0 120 -7,-0.1 2,-0.8 -3,-0.1 -1,-0.3 0.527 77.1 84.1 -76.9 -14.4 26.6 -19.7 10.8 121 121 A I S < S- 0 0 3 -3,-2.2 -34,-0.2 -11,-0.1 2,-0.2 -0.884 80.7-142.7 -93.8 106.6 30.1 -18.4 10.6 122 122 A K E -e 87 0A 64 -36,-1.4 -34,-2.2 -2,-0.8 2,-0.4 -0.458 2.9-143.1 -74.9 140.0 30.9 -16.5 13.8 123 123 A V E +e 88 0A 4 -36,-0.2 2,-0.2 -2,-0.2 -34,-0.2 -0.823 36.5 143.4-100.7 133.1 33.0 -13.4 13.8 124 124 A T E -e 89 0A 0 -36,-2.5 -34,-2.5 -2,-0.4 2,-0.3 -0.707 37.8-122.5-150.3-165.2 35.3 -12.9 16.8 125 125 A T E - 0 0 2 39,-0.3 41,-1.5 -36,-0.2 2,-0.5 -0.941 19.6-124.9-144.8 165.6 38.7 -11.5 17.7 126 126 A S E -ef 92 166A 0 -35,-0.9 -33,-3.1 -2,-0.3 -32,-0.4 -0.968 25.9-166.9-121.4 128.2 41.7 -13.1 19.5 127 127 A V E - f 0 167A 7 39,-2.8 41,-2.6 -2,-0.5 2,-0.4 -0.720 18.9-116.2-114.5 165.4 43.2 -11.6 22.6 128 128 A S E > - f 0 168A 25 -2,-0.3 3,-2.9 39,-0.2 4,-0.2 -0.763 19.2-127.3-100.2 139.7 46.5 -12.1 24.5 129 129 A Q G > S+ 0 0 31 39,-1.5 3,-1.8 -2,-0.4 -1,-0.1 0.701 104.9 80.7 -56.3 -13.4 46.6 -13.4 28.0 130 130 A A G 3 S+ 0 0 72 1,-0.3 -1,-0.3 13,-0.0 14,-0.1 0.590 75.2 72.5 -71.0 -10.2 48.7 -10.3 28.5 131 131 A I G < S+ 0 0 22 -3,-2.9 13,-2.1 12,-0.1 2,-0.6 0.595 75.7 96.5 -79.1 -10.0 45.4 -8.4 28.8 132 132 A L E < -I 143 0B 14 -3,-1.8 11,-0.3 11,-0.3 3,-0.2 -0.695 51.2-174.9 -80.4 114.4 44.8 -10.0 32.2 133 133 A G E S+ 0 0 46 9,-2.7 2,-0.4 -2,-0.6 10,-0.2 0.929 82.7 17.8 -71.9 -44.3 45.9 -7.6 35.0 134 134 A V E +I 142 0B 61 8,-2.2 8,-2.3 1,-0.1 -1,-0.3 -0.989 61.6 163.6-127.7 133.9 45.2 -10.3 37.6 135 135 A F + 0 0 62 -2,-0.4 78,-0.2 1,-0.3 6,-0.2 0.343 47.5 98.0-128.9 -1.9 44.8 -13.9 36.7 136 136 A S S S+ 0 0 51 1,-0.3 -1,-0.3 4,-0.2 74,-0.0 -0.983 79.3 25.7-145.0 133.7 45.1 -15.6 40.1 137 137 A P S > S- 0 0 47 0, 0.0 3,-3.5 0, 0.0 -1,-0.3 0.661 86.9-133.1 -78.4 158.1 43.1 -16.5 41.9 138 138 A P G > S+ 0 0 0 0, 0.0 3,-1.6 0, 0.0 78,-0.2 0.768 105.3 58.8 -41.9 -38.1 40.5 -17.0 39.1 139 139 A S G 3 S+ 0 0 61 1,-0.3 -3,-0.1 77,-0.1 -4,-0.0 0.673 103.5 53.5 -69.8 -17.8 37.8 -15.2 41.1 140 140 A A G < S+ 0 0 44 -3,-3.5 -1,-0.3 2,-0.0 -4,-0.2 0.030 81.7 145.9-102.6 24.8 40.1 -12.1 41.2 141 141 A G < + 0 0 1 -3,-1.6 2,-0.3 -6,-0.2 -6,-0.2 -0.376 17.8 155.9 -67.6 137.8 40.4 -12.2 37.4 142 142 A S E -I 134 0B 23 -8,-2.3 -9,-2.7 -2,-0.1 -8,-2.2 -0.954 37.8-118.2-166.3 145.2 40.7 -8.8 35.7 143 143 A F E -I 132 0B 15 -11,-0.3 -11,-0.3 -2,-0.3 -12,-0.1 -0.269 41.9 -98.4 -74.2 164.8 41.9 -7.0 32.6 144 144 A T > - 0 0 48 -13,-2.1 4,-2.3 1,-0.1 -1,-0.2 -0.257 38.6-107.8 -72.5 175.5 44.5 -4.3 32.7 145 145 A G H > S+ 0 0 62 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.790 120.9 53.0 -77.3 -28.3 43.1 -0.7 32.6 146 146 A E H > S+ 0 0 148 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.915 116.1 38.5 -69.7 -45.4 44.3 -0.3 29.1 147 147 A A H >> S+ 0 0 2 1,-0.2 4,-3.2 2,-0.2 3,-1.0 0.861 109.6 61.8 -72.8 -38.3 42.6 -3.4 28.0 148 148 A A H 3X S+ 0 0 33 -4,-2.3 4,-1.0 1,-0.3 -1,-0.2 0.843 96.9 61.8 -55.8 -36.5 39.6 -2.7 30.2 149 149 A A H 3< S+ 0 0 83 -4,-1.2 -1,-0.3 1,-0.2 -2,-0.2 0.779 118.8 22.7 -61.4 -37.0 39.1 0.5 28.2 150 150 A F H S+ 0 0 71 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.788 116.4 55.0 -57.7 -36.4 32.3 -3.0 23.9 154 154 A V H X S+ 0 0 2 -4,-1.1 4,-2.2 2,-0.2 -2,-0.2 0.966 109.2 46.1 -62.7 -52.3 34.0 -6.0 22.4 155 155 A V H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 5,-0.2 0.917 112.9 49.2 -57.6 -45.7 32.6 -8.4 25.0 156 156 A Q H X S+ 0 0 102 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.906 108.6 53.9 -62.2 -41.1 29.1 -7.0 24.8 157 157 A F H X S+ 0 0 14 -4,-1.9 4,-1.8 2,-0.2 -1,-0.2 0.934 109.1 48.4 -57.4 -49.1 29.2 -7.3 21.0 158 158 A L H X>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 4,-0.8 0.934 110.7 51.2 -58.4 -46.3 30.1 -11.0 21.3 159 159 A A H ><5S+ 0 0 32 -4,-2.6 3,-0.9 1,-0.2 -1,-0.2 0.925 110.3 49.8 -57.8 -44.6 27.3 -11.5 23.8 160 160 A R H 3<5S+ 0 0 216 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.797 117.2 39.4 -68.0 -26.4 24.9 -9.8 21.4 161 161 A T H 3<5S- 0 0 30 -4,-1.8 -1,-0.2 -3,-0.4 -2,-0.2 0.333 107.2-119.4-105.9 7.0 25.9 -12.0 18.4 162 162 A N T <<5 + 0 0 133 -3,-0.9 -3,-0.2 -4,-0.8 -4,-0.1 0.902 65.9 140.6 57.6 43.4 26.3 -15.3 20.3 163 163 A A < - 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0 0 66 -3,-1.0 3,-2.7 -4,-0.5 4,-0.7 -0.567 66.9-176.3-154.4 82.2 59.6 -15.2 36.5 179 179 A P T 34 S+ 0 0 57 0, 0.0 5,-0.2 0, 0.0 -3,-0.1 0.631 85.6 63.1 -60.0 -14.4 60.5 -18.9 37.0 180 180 A S T 34 S+ 0 0 109 1,-0.2 3,-0.1 -4,-0.1 -4,-0.1 0.618 93.8 61.2 -84.1 -18.6 61.0 -18.0 40.7 181 181 A A T <4 S+ 0 0 67 -3,-2.7 2,-0.3 -6,-0.2 -1,-0.2 0.810 114.5 15.1 -79.7 -35.0 57.4 -17.0 41.2 182 182 A M S < S- 0 0 42 -4,-0.7 2,-0.4 -7,-0.2 -1,-0.1 -0.955 82.0-102.1-138.1 160.3 55.7 -20.4 40.4 183 183 A D >> - 0 0 97 -2,-0.3 3,-1.9 1,-0.1 4,-0.8 -0.706 26.2-131.4 -88.6 128.8 56.8 -24.0 40.0 184 184 A M H 3> S+ 0 0 54 -2,-0.4 4,-2.5 1,-0.3 6,-0.2 0.720 104.3 64.8 -45.7 -29.8 57.1 -25.2 36.4 185 185 A G H 34>S+ 0 0 11 2,-0.2 5,-3.0 1,-0.2 4,-0.4 0.870 95.3 59.1 -64.4 -37.6 55.1 -28.3 37.1 186 186 A Y H <45S+ 0 0 10 -3,-1.9 20,-2.1 4,-0.2 3,-0.5 0.895 113.5 38.1 -56.3 -39.4 52.1 -26.0 37.8 187 187 A A H <5S+ 0 0 1 -4,-0.8 -2,-0.2 18,-0.2 -1,-0.2 0.813 113.1 57.6 -82.6 -31.5 52.5 -24.7 34.2 188 188 A L T <5S- 0 0 9 -4,-2.5 -1,-0.2 -17,-0.1 -2,-0.2 0.313 112.9-108.4 -85.2 10.5 53.4 -28.1 32.7 189 189 A F T 5S+ 0 0 26 -3,-0.5 -3,-0.2 -4,-0.4 -4,-0.1 0.838 93.8 110.0 64.2 34.6 50.3 -30.1 33.7 190 190 A N < + 0 0 99 -5,-3.0 2,-0.3 -6,-0.2 -4,-0.2 -0.201 33.1 127.0-138.2 44.9 52.6 -31.8 36.2 191 191 A A - 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