==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-10 2XGB . COMPND 2 MOLECULE: BETA-AMYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HORDEUM VULGARE; . AUTHOR M.REJZEK,C.E.M.STEVENSON,A.M.SOUTHARD,D.STANLEY,K.DENYER,A.M . 486 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 65.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 8.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 2.1 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 . 3 0.6 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 . 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 . 29 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 133 27.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.1 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 1 0 1 1 0 1 1 2 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 0 5 1 1 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 4 A N 0 0 146 0, 0.0 3,-0.4 0, 0.0 398,-0.0 0.000 360.0 360.0 360.0 103.8 43.7 28.9 33.2 2 5 A V > + 0 0 34 1,-0.2 3,-2.1 399,-0.1 4,-0.3 0.316 360.0 111.8 -95.6 8.7 41.5 26.2 31.7 3 6 A K G > + 0 0 120 1,-0.3 3,-1.7 2,-0.2 -1,-0.2 0.824 68.6 63.2 -54.2 -37.3 38.5 26.6 34.0 4 7 A G G 3 S+ 0 0 30 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.618 94.6 65.0 -67.6 -9.9 36.2 28.0 31.3 5 8 A N G < S+ 0 0 0 -3,-2.1 -1,-0.3 398,-0.2 433,-0.2 0.591 72.7 119.3 -81.2 -16.5 36.6 24.6 29.5 6 9 A Y < - 0 0 7 -3,-1.7 2,-0.5 -4,-0.3 431,-0.2 -0.316 45.8-164.1 -58.5 128.3 34.8 22.6 32.2 7 10 A V - 0 0 0 429,-2.2 403,-0.1 426,-0.2 402,-0.1 -0.973 19.9-123.7-115.2 123.5 31.6 20.9 31.1 8 11 A Q E -a 410 0A 6 401,-0.5 403,-2.1 -2,-0.5 2,-0.5 -0.367 19.6-150.3 -64.7 145.3 29.2 19.6 33.7 9 12 A V E -a 411 0A 0 32,-0.2 34,-2.1 401,-0.2 35,-1.2 -0.983 14.7-178.9-119.8 124.4 28.3 15.9 33.7 10 13 A Y E -ab 412 44A 9 401,-3.0 403,-2.9 -2,-0.5 2,-0.4 -0.821 15.5-143.9-111.5 158.4 24.9 14.7 35.0 11 14 A V E -ab 413 45A 0 33,-1.5 35,-1.9 -2,-0.3 2,-0.2 -0.991 16.3-126.1-125.9 128.3 23.7 11.1 35.1 12 15 A M E - b 0 46A 11 401,-2.9 404,-3.2 -2,-0.4 403,-0.4 -0.504 27.0-130.9 -67.3 136.0 20.1 10.0 34.5 13 16 A L - 0 0 1 33,-3.1 35,-0.1 -2,-0.2 -1,-0.1 -0.316 40.3 -72.6 -76.3 168.0 18.6 8.0 37.2 14 17 A P > - 0 0 31 0, 0.0 3,-1.7 0, 0.0 34,-0.2 -0.221 47.0-110.8 -56.0 152.1 16.8 4.7 36.6 15 18 A L T 3 S+ 0 0 15 1,-0.3 3,-0.3 2,-0.1 33,-0.1 0.878 118.3 40.6 -54.8 -39.6 13.4 5.1 35.0 16 19 A D T 3 + 0 0 46 1,-0.2 -1,-0.3 4,-0.0 4,-0.1 -0.260 62.0 138.1-108.4 47.7 11.8 4.0 38.3 17 20 A A S < S+ 0 0 8 -3,-1.7 9,-0.4 1,-0.1 2,-0.4 0.878 87.9 42.7 -47.8 -38.4 14.0 5.8 40.8 18 21 A V S S- 0 0 2 -3,-0.3 6,-0.2 -4,-0.2 -1,-0.1 -0.951 111.3-112.0-105.4 134.9 10.5 6.2 42.1 19 22 A S > - 0 0 14 4,-3.0 3,-2.5 -2,-0.4 4,-0.1 -0.145 23.0-104.8 -69.1 165.4 8.5 2.9 41.9 20 23 A V T 3 S+ 0 0 70 1,-0.3 -1,-0.1 2,-0.1 -4,-0.0 0.659 124.3 58.4 -61.4 -13.6 5.5 2.3 39.6 21 24 A N T 3 S- 0 0 111 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.246 120.3-109.3 -97.8 10.3 3.5 2.6 42.8 22 25 A N S < S+ 0 0 13 -3,-2.5 44,-0.4 1,-0.3 2,-0.3 0.886 79.1 126.2 57.5 45.5 4.8 6.1 43.6 23 26 A R - 0 0 69 -4,-0.1 -4,-3.0 43,-0.1 2,-1.1 -0.957 63.7-130.3-129.0 145.7 6.9 4.9 46.5 24 27 A F + 0 0 37 -2,-0.3 3,-0.1 -6,-0.2 -6,-0.1 -0.810 50.5 144.1 -96.0 97.8 10.6 5.5 47.1 25 28 A E + 0 0 115 -2,-1.1 -1,-0.2 -8,-0.2 3,-0.1 0.406 56.1 58.9-124.0 6.0 11.7 2.0 47.8 26 29 A K > + 0 0 108 -9,-0.4 4,-2.3 -3,-0.1 5,-0.2 -0.033 65.6 125.0-121.3 27.3 15.2 1.5 46.3 27 30 A G H > + 0 0 12 1,-0.2 4,-2.6 2,-0.2 5,-0.1 0.778 69.6 50.9 -60.4 -39.5 16.8 4.3 48.3 28 31 A D H > S+ 0 0 122 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.914 112.6 46.4 -69.0 -41.3 19.6 2.3 49.9 29 32 A E H > S+ 0 0 93 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.930 114.2 48.9 -61.9 -46.7 20.7 0.9 46.5 30 33 A L H X S+ 0 0 8 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.925 107.9 53.9 -61.7 -44.9 20.5 4.4 45.0 31 34 A R H X S+ 0 0 115 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.922 109.0 49.2 -55.3 -43.9 22.5 5.9 47.8 32 35 A A H X S+ 0 0 51 -4,-2.0 4,-1.3 1,-0.2 -1,-0.2 0.912 112.1 48.0 -63.0 -40.8 25.3 3.3 47.2 33 36 A Q H X S+ 0 0 12 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.900 107.9 55.3 -65.2 -42.5 25.3 4.1 43.5 34 37 A L H X S+ 0 0 2 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.860 100.1 60.3 -61.1 -35.0 25.4 7.8 44.2 35 38 A R H X S+ 0 0 117 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.904 104.8 49.4 -55.9 -43.3 28.5 7.2 46.2 36 39 A K H X S+ 0 0 64 -4,-1.3 4,-1.3 -3,-0.3 -2,-0.2 0.888 110.3 50.2 -64.3 -38.2 30.2 5.9 43.1 37 40 A L H <>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 4,-0.4 0.914 111.8 47.9 -66.4 -39.4 29.0 8.9 41.1 38 41 A V H ><5S+ 0 0 69 -4,-2.7 3,-1.5 1,-0.2 -2,-0.2 0.927 106.9 55.7 -67.6 -39.5 30.4 11.2 43.7 39 42 A E H 3<5S+ 0 0 116 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.839 108.6 51.0 -56.6 -33.5 33.7 9.3 43.8 40 43 A A T 3<5S- 0 0 2 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.523 117.6-113.2 -84.4 -7.9 33.8 10.0 40.0 41 44 A G T < 5 + 0 0 16 -3,-1.5 -3,-0.2 -4,-0.4 -32,-0.2 0.613 50.7 173.4 87.4 15.2 33.2 13.7 40.4 42 45 A V < - 0 0 0 -5,-2.2 -1,-0.2 1,-0.1 -32,-0.2 -0.230 28.9-144.8 -59.5 141.1 29.7 13.9 38.8 43 46 A D - 0 0 0 -34,-2.1 37,-2.0 1,-0.2 2,-0.3 0.863 62.9 -47.4 -76.4 -37.3 28.0 17.3 39.0 44 47 A G E -bc 10 80A 0 -35,-1.2 -33,-1.5 35,-0.2 2,-0.3 -0.963 52.3 -97.1-173.5-171.6 24.4 16.0 39.4 45 48 A V E -bc 11 81A 0 35,-2.4 37,-2.5 -2,-0.3 2,-0.4 -0.859 18.8-141.0-126.9 161.8 21.7 13.7 38.3 46 49 A M E -bc 12 82A 2 -35,-1.9 -33,-3.1 -2,-0.3 2,-0.4 -0.960 22.3-176.9-121.4 143.4 18.6 13.9 36.1 47 50 A V E - c 0 83A 5 35,-2.4 37,-2.8 -2,-0.4 2,-0.4 -0.999 28.4-119.8-147.0 142.6 15.3 12.3 36.9 48 51 A D E - c 0 84A 14 -2,-0.4 2,-0.8 -34,-0.2 -30,-0.2 -0.656 17.6-156.8 -70.7 129.9 11.8 11.8 35.4 49 52 A V E - c 0 85A 0 35,-2.4 37,-1.7 -2,-0.4 2,-0.4 -0.875 26.1-143.0-109.3 91.4 9.1 13.3 37.6 50 53 A W E >> - c 0 86A 3 -2,-0.8 4,-2.3 1,-0.2 3,-1.1 -0.423 15.8-156.3 -75.9 121.2 6.3 11.2 36.3 51 54 A W H 3> S+ 0 0 0 35,-2.5 4,-2.6 -2,-0.4 -1,-0.2 0.894 95.4 56.3 -55.2 -45.4 2.9 12.8 35.9 52 55 A G H 34 S+ 0 0 15 34,-0.4 -1,-0.3 36,-0.3 52,-0.2 0.725 110.2 45.5 -65.9 -23.0 1.1 9.4 36.1 53 56 A L H X4 S+ 0 0 15 -3,-1.1 3,-0.7 47,-0.1 -2,-0.2 0.901 119.6 36.8 -79.4 -47.2 2.7 8.8 39.5 54 57 A V H 3< S+ 0 0 1 -4,-2.3 9,-2.2 1,-0.2 3,-0.3 0.878 127.9 30.5 -80.4 -43.6 2.2 12.1 41.1 55 58 A E T 3< S+ 0 0 0 -4,-2.6 -1,-0.2 -5,-0.2 6,-0.2 -0.099 85.0 118.2-105.3 35.0 -1.3 13.1 39.8 56 59 A G < + 0 0 32 -3,-0.7 49,-0.4 1,-0.2 48,-0.3 0.838 64.0 59.0 -71.8 -27.5 -2.5 9.5 39.5 57 60 A K S S- 0 0 191 4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.891 118.2 -61.7 -69.9 -40.7 -5.5 9.7 42.0 58 61 A G S > S- 0 0 13 3,-0.1 3,-2.2 -3,-0.1 -1,-0.3 -0.948 81.9 -28.1 168.6 173.3 -7.5 12.4 40.4 59 62 A P T 3 S- 0 0 61 0, 0.0 -3,-0.0 0, 0.0 82,-0.0 -0.263 126.8 -7.4 -57.1 125.2 -7.3 16.1 39.4 60 63 A K T 3 S+ 0 0 124 1,-0.2 2,-1.4 -5,-0.1 -5,-0.0 0.529 92.3 130.8 67.2 13.2 -5.0 18.1 41.6 61 64 A A < - 0 0 36 -3,-2.2 -4,-0.5 -6,-0.2 2,-0.2 -0.342 39.4-179.7 -90.2 60.3 -4.5 15.1 44.0 62 65 A Y - 0 0 48 -2,-1.4 2,-0.6 -7,-0.1 -7,-0.2 -0.382 18.0-166.5 -72.2 132.6 -0.8 15.5 43.9 63 66 A D + 0 0 76 -9,-2.2 3,-0.3 -2,-0.2 4,-0.2 -0.885 17.3 164.3-120.9 97.3 1.3 13.1 45.9 64 67 A W > + 0 0 10 -2,-0.6 4,-2.7 1,-0.2 5,-0.2 0.337 41.8 109.3 -92.6 2.3 4.9 14.3 46.2 65 68 A S H > S+ 0 0 55 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.879 80.3 41.3 -50.4 -52.9 5.9 12.0 49.0 66 69 A A H > S+ 0 0 0 -44,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.906 114.5 51.1 -66.0 -44.4 8.3 9.8 47.1 67 70 A Y H > S+ 0 0 2 -4,-0.2 4,-2.8 1,-0.2 5,-0.2 0.889 107.4 53.6 -63.9 -38.1 9.9 12.5 45.0 68 71 A K H X S+ 0 0 75 -4,-2.7 4,-2.1 2,-0.2 -1,-0.2 0.901 109.0 49.5 -62.4 -37.3 10.6 14.5 48.2 69 72 A Q H X S+ 0 0 98 -4,-1.6 4,-1.9 -5,-0.2 -2,-0.2 0.922 112.5 48.0 -63.6 -45.1 12.4 11.5 49.7 70 73 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.927 111.2 49.2 -59.0 -47.4 14.4 11.1 46.5 71 74 A F H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.884 108.8 53.2 -65.6 -37.8 15.3 14.7 46.3 72 75 A E H X S+ 0 0 90 -4,-2.1 4,-2.5 -5,-0.2 -1,-0.2 0.906 108.5 50.8 -60.8 -41.4 16.5 14.7 50.0 73 76 A L H X S+ 0 0 13 -4,-1.9 4,-0.9 2,-0.2 -2,-0.2 0.932 111.3 47.4 -62.3 -45.0 18.7 11.7 49.2 74 77 A V H ><>S+ 0 0 0 -4,-2.3 5,-1.8 1,-0.2 3,-0.8 0.933 112.1 50.1 -63.5 -42.8 20.3 13.5 46.2 75 78 A Q H ><5S+ 0 0 76 -4,-2.6 3,-1.9 1,-0.2 -1,-0.2 0.922 107.1 54.0 -59.0 -46.1 20.8 16.7 48.3 76 79 A K H 3<5S+ 0 0 149 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.668 104.1 57.4 -65.6 -17.0 22.4 14.6 51.1 77 80 A A T <<5S- 0 0 34 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.448 114.7-117.0 -86.1 -4.3 24.9 13.3 48.4 78 81 A G T < 5S+ 0 0 48 -3,-1.9 2,-0.3 -4,-0.3 -3,-0.2 0.672 70.3 137.2 76.0 15.0 26.0 16.8 47.5 79 82 A L < - 0 0 5 -5,-1.8 -1,-0.3 1,-0.0 -35,-0.2 -0.723 51.4-128.2 -98.2 145.4 24.6 16.4 44.0 80 83 A K E -c 44 0A 23 -37,-2.0 -35,-2.4 -2,-0.3 2,-0.4 -0.380 25.4-135.5 -79.0 169.8 22.6 18.8 41.8 81 84 A L E -cd 45 169A 0 87,-2.6 89,-2.3 -37,-0.2 90,-1.0 -0.997 15.6-163.2-139.0 128.4 19.4 17.8 40.2 82 85 A Q E -cd 46 171A 17 -37,-2.5 -35,-2.4 -2,-0.4 2,-0.5 -0.967 22.6-156.8-105.0 121.0 17.8 18.2 36.8 83 86 A A E -cd 47 172A 0 88,-2.5 90,-2.5 -2,-0.5 2,-0.5 -0.879 2.4-152.6-106.1 125.6 14.0 17.5 37.0 84 87 A I E -cd 48 173A 11 -37,-2.8 -35,-2.4 -2,-0.5 2,-1.3 -0.840 14.3-138.4 -94.9 127.2 12.0 16.5 34.0 85 88 A M E -cd 49 174A 0 88,-3.0 90,-1.7 -2,-0.5 2,-1.3 -0.755 28.1-160.3 -79.7 93.5 8.4 17.3 34.0 86 89 A S E +c 50 0A 0 -37,-1.7 -35,-2.5 -2,-1.3 -34,-0.4 -0.657 25.3 166.9 -93.7 86.6 7.4 13.9 32.5 87 90 A F + 0 0 0 -2,-1.3 43,-0.4 -37,-0.2 2,-0.3 -0.113 55.5 76.1 -86.6 33.9 4.0 14.4 31.0 88 91 A H S S- 0 0 8 -2,-0.2 -36,-0.3 41,-0.1 2,-0.3 -0.887 84.6 -89.1-143.5 167.2 4.3 11.1 29.1 89 92 A Q - 0 0 32 39,-1.9 2,-0.5 -2,-0.3 90,-0.5 -0.581 26.3-139.0 -81.1 138.3 4.1 7.3 29.5 90 93 A C B S+I 100 0B 1 10,-2.6 10,-2.4 -2,-0.3 2,-0.1 -0.899 75.3 61.9 -91.3 128.0 7.2 5.3 30.3 91 94 A G S S+ 0 0 4 -2,-0.5 88,-0.1 8,-0.2 3,-0.1 0.035 78.5 54.0 120.7 123.3 6.9 2.2 28.1 92 95 A G S S+ 0 0 21 1,-0.4 98,-0.5 4,-0.2 97,-0.4 0.267 85.1 90.6 111.7 -11.2 6.8 1.9 24.3 93 96 A N S > S- 0 0 14 96,-0.1 3,-2.2 95,-0.1 -1,-0.4 -0.779 91.7 -71.0-114.3 161.0 10.0 3.8 23.4 94 97 A V T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 -0.203 117.2 9.1 -58.1 133.3 13.5 2.4 23.0 95 98 A G T 3 S+ 0 0 65 1,-0.3 -1,-0.3 -3,-0.0 2,-0.2 0.298 83.2 150.4 86.6 -7.5 15.1 1.3 26.2 96 99 A D < + 0 0 45 -3,-2.2 -1,-0.3 1,-0.2 -4,-0.2 -0.450 15.7 173.3 -69.2 129.6 12.0 1.7 28.3 97 100 A A + 0 0 82 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.2 0.489 57.4 44.6-109.6 -12.7 12.3 -0.8 31.2 98 101 A V S S- 0 0 21 2,-0.1 2,-0.6 -78,-0.0 -83,-0.0 -0.864 74.7-123.3-148.1 156.4 9.3 0.0 33.3 99 102 A N + 0 0 120 -2,-0.3 -8,-0.2 -8,-0.1 -10,-0.0 -0.917 37.3 152.9-124.4 106.1 5.6 0.8 32.7 100 103 A I B -I 90 0B 4 -10,-2.4 -10,-2.6 -2,-0.6 -48,-0.2 -0.876 22.7-164.3-137.0 98.6 4.2 4.1 33.9 101 104 A P - 0 0 54 0, 0.0 3,-0.1 0, 0.0 -13,-0.1 -0.212 32.2 -91.1 -75.4 170.4 1.2 5.5 32.0 102 105 A I S S- 0 0 1 25,-0.4 5,-0.1 1,-0.2 -15,-0.1 -0.267 76.1 -54.6 -67.3 166.6 -0.2 9.0 32.2 103 106 A P >> - 0 0 1 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.199 45.4-135.0 -57.0 138.9 -3.0 9.4 34.8 104 107 A Q H 3> S+ 0 0 146 -48,-0.3 4,-2.2 1,-0.2 5,-0.1 0.881 105.1 56.7 -57.6 -41.8 -5.9 6.9 34.4 105 108 A W H 3> S+ 0 0 20 -49,-0.4 4,-0.6 2,-0.2 -1,-0.2 0.795 106.8 51.2 -65.5 -27.4 -8.5 9.7 35.0 106 109 A V H X> S+ 0 0 0 -3,-0.7 3,-1.2 2,-0.2 4,-0.6 0.935 109.6 49.0 -68.6 -49.2 -6.9 11.6 32.0 107 110 A R H >< S+ 0 0 91 -4,-2.1 3,-1.3 1,-0.3 4,-0.4 0.844 99.5 67.7 -60.6 -29.9 -7.2 8.5 29.8 108 111 A D H >X S+ 0 0 91 -4,-2.2 3,-1.4 1,-0.3 4,-0.5 0.822 90.4 62.7 -60.1 -31.3 -10.8 8.0 30.9 109 112 A V H XX S+ 0 0 26 -3,-1.2 4,-1.9 -4,-0.6 3,-0.7 0.816 92.9 66.2 -58.7 -33.3 -11.6 11.2 29.0 110 113 A G H << S+ 0 0 10 -3,-1.3 -1,-0.2 -4,-0.6 -2,-0.2 0.644 84.2 72.2 -65.4 -17.2 -10.5 9.3 25.9 111 114 A T H <4 S+ 0 0 113 -3,-1.4 -1,-0.2 -4,-0.4 -2,-0.2 0.908 114.5 23.8 -63.5 -44.2 -13.4 6.8 26.1 112 115 A R H << S+ 0 0 223 -3,-0.7 -2,-0.2 -4,-0.5 -1,-0.2 0.695 138.5 35.0 -90.9 -23.7 -15.9 9.5 25.0 113 116 A D >< + 0 0 22 -4,-1.9 3,-1.6 -5,-0.2 -1,-0.2 -0.683 60.1 168.6-133.4 78.3 -13.1 11.6 23.2 114 117 A P G > + 0 0 44 0, 0.0 3,-1.2 0, 0.0 -4,-0.1 0.639 68.2 80.5 -67.7 -12.0 -10.5 9.3 21.6 115 118 A D G 3 + 0 0 22 1,-0.3 92,-0.4 90,-0.1 4,-0.1 0.376 65.4 86.9 -78.4 6.6 -9.1 12.4 19.7 116 119 A I G < S+ 0 0 0 -3,-1.6 15,-2.2 -9,-0.1 2,-0.4 0.589 84.6 72.0 -73.8 -8.4 -7.3 13.5 22.8 117 120 A F E < S-J 130 0C 12 -3,-1.2 13,-0.2 13,-0.2 10,-0.1 -0.844 98.5-100.8-108.9 140.8 -4.5 11.2 21.5 118 121 A Y E - 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