==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 02-JUN-10 2XG9 . 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 . 487 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19147.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 322 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 11 2.3 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 . 4 0.8 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 . 33 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 132 27.1 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 2 1 0 1 1 0 1 1 2 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 1 0 4 2 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 3 A V 0 0 156 0, 0.0 2,-0.3 0, 0.0 401,-0.2 0.000 360.0 360.0 360.0 117.6 46.9 29.6 31.8 2 4 A N + 0 0 96 399,-2.2 3,-0.3 398,-0.1 398,-0.0 -0.853 360.0 179.3-155.0 106.8 43.5 29.1 33.3 3 5 A V > + 0 0 29 -2,-0.3 3,-1.8 1,-0.2 4,-0.2 0.293 50.1 110.0 -97.6 9.3 41.4 26.3 31.7 4 6 A K G > + 0 0 127 1,-0.3 3,-2.0 2,-0.2 -1,-0.2 0.830 68.4 63.9 -54.2 -42.4 38.4 26.7 34.1 5 7 A G G 3 S+ 0 0 29 -3,-0.3 -1,-0.3 1,-0.3 -2,-0.1 0.651 95.7 63.6 -61.4 -10.6 36.1 28.1 31.3 6 8 A N G < S+ 0 0 0 -3,-1.8 -1,-0.3 398,-0.2 433,-0.2 0.562 72.6 119.3 -85.2 -15.1 36.5 24.7 29.6 7 9 A Y < - 0 0 8 -3,-2.0 2,-0.5 431,-0.2 431,-0.3 -0.397 46.6-162.5 -57.4 129.4 34.8 22.7 32.4 8 10 A V - 0 0 0 429,-2.2 403,-0.1 426,-0.2 402,-0.1 -0.981 19.2-123.8-114.8 123.5 31.6 20.9 31.1 9 11 A Q E -a 411 0A 6 401,-0.6 403,-1.7 -2,-0.5 2,-0.4 -0.321 20.4-152.1 -65.3 143.2 29.2 19.7 33.7 10 12 A V E -a 412 0A 0 401,-0.2 34,-2.2 32,-0.2 35,-1.1 -0.993 14.0-178.7-121.8 119.9 28.3 16.0 33.7 11 13 A Y E -ab 413 45A 8 401,-3.1 403,-3.0 -2,-0.4 2,-0.4 -0.804 15.2-144.6-109.1 157.3 24.9 14.7 35.0 12 14 A V E -ab 414 46A 0 33,-1.7 35,-1.9 -2,-0.3 2,-0.2 -0.997 16.2-125.3-125.8 129.9 23.7 11.2 35.2 13 15 A M E - b 0 47A 9 401,-3.0 404,-3.2 -2,-0.4 403,-0.4 -0.510 26.3-131.5 -68.7 134.2 20.1 10.0 34.6 14 16 A L - 0 0 2 33,-3.2 35,-0.1 -2,-0.2 -1,-0.1 -0.301 41.9 -72.4 -75.3 169.9 18.7 8.0 37.5 15 17 A P > - 0 0 32 0, 0.0 3,-1.7 0, 0.0 34,-0.2 -0.258 46.2-111.7 -59.2 150.6 16.9 4.7 36.8 16 18 A L T 3 S+ 0 0 53 1,-0.3 3,-0.3 2,-0.1 33,-0.1 0.822 118.5 42.1 -56.1 -34.3 13.5 5.0 35.1 17 19 A D T 3 + 0 0 51 1,-0.2 -1,-0.3 10,-0.0 4,-0.1 -0.311 64.4 136.0-108.6 42.6 11.8 3.8 38.3 18 20 A A S < S+ 0 0 7 -3,-1.7 9,-0.4 1,-0.1 2,-0.4 0.880 86.7 42.2 -48.4 -40.3 14.0 5.7 40.8 19 21 A V S S- 0 0 1 -3,-0.3 6,-0.2 -4,-0.2 -1,-0.1 -0.943 111.9-110.7-104.4 135.3 10.4 6.1 42.2 20 22 A S > - 0 0 12 4,-3.4 3,-2.3 -2,-0.4 4,-0.1 -0.119 23.4-106.8 -64.3 161.6 8.4 2.9 42.0 21 23 A V T 3 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.656 123.7 56.8 -61.2 -13.0 5.5 2.3 39.6 22 24 A N T 3 S- 0 0 110 2,-0.2 -1,-0.3 79,-0.0 3,-0.1 0.142 123.0-106.1 -99.4 12.6 3.3 2.6 42.8 23 25 A N S < S+ 0 0 11 -3,-2.3 44,-0.4 1,-0.2 2,-0.4 0.915 79.6 127.4 60.5 44.1 4.7 6.1 43.6 24 26 A R - 0 0 135 -4,-0.1 -4,-3.4 43,-0.1 2,-1.0 -0.973 63.2-128.3-126.7 147.4 6.8 4.9 46.4 25 27 A F + 0 0 38 -2,-0.4 3,-0.2 -6,-0.2 -6,-0.1 -0.817 47.8 148.8 -95.7 101.2 10.5 5.5 47.1 26 28 A E + 0 0 123 -2,-1.0 3,-0.2 -8,-0.3 -1,-0.2 0.417 55.6 62.3-116.5 -2.5 11.7 1.9 47.7 27 29 A K > + 0 0 102 -9,-0.4 4,-2.5 1,-0.1 5,-0.2 -0.072 61.0 127.1-119.9 29.3 15.2 1.8 46.4 28 30 A G H > S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.848 72.6 45.4 -61.0 -39.9 16.9 4.3 48.7 29 31 A D H > S+ 0 0 123 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.915 114.6 48.1 -74.8 -38.6 19.7 2.3 50.1 30 32 A E H > S+ 0 0 90 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.923 113.8 47.9 -66.7 -44.0 20.7 0.9 46.6 31 33 A L H X S+ 0 0 5 -4,-2.5 4,-3.3 1,-0.2 5,-0.2 0.926 108.3 53.3 -65.8 -44.1 20.6 4.4 45.2 32 34 A R H X S+ 0 0 100 -4,-2.4 4,-1.7 -5,-0.2 -1,-0.2 0.919 109.7 50.2 -54.4 -43.7 22.6 6.0 48.0 33 35 A A H X S+ 0 0 56 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.922 113.2 45.3 -61.8 -41.0 25.3 3.3 47.3 34 36 A Q H X S+ 0 0 9 -4,-2.2 4,-1.9 1,-0.2 3,-0.4 0.900 108.9 55.9 -68.8 -39.4 25.3 4.1 43.6 35 37 A L H X S+ 0 0 2 -4,-3.3 4,-2.7 1,-0.2 -1,-0.2 0.856 100.0 59.9 -62.8 -33.4 25.4 7.8 44.2 36 38 A R H X S+ 0 0 174 -4,-1.7 4,-2.5 -5,-0.2 -1,-0.2 0.875 104.9 49.8 -58.2 -41.3 28.5 7.3 46.3 37 39 A K H X S+ 0 0 64 -4,-1.0 4,-1.4 -3,-0.4 -2,-0.2 0.883 110.8 49.3 -64.5 -36.9 30.2 5.9 43.2 38 40 A L H <>S+ 0 0 0 -4,-1.9 5,-2.1 2,-0.2 4,-0.4 0.924 111.9 47.7 -69.7 -41.4 29.0 8.9 41.2 39 41 A V H ><5S+ 0 0 68 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.907 108.0 55.7 -63.8 -41.2 30.4 11.3 43.8 40 42 A E H 3<5S+ 0 0 120 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.842 108.2 50.0 -57.3 -31.9 33.6 9.4 43.8 41 43 A A T 3<5S- 0 0 2 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.521 118.6-113.1 -86.5 -7.6 33.8 10.0 40.1 42 44 A G T < 5 + 0 0 16 -3,-1.4 -3,-0.2 -4,-0.4 -32,-0.2 0.659 49.7 174.4 86.5 16.3 33.1 13.8 40.5 43 45 A V < - 0 0 0 -5,-2.1 -1,-0.2 1,-0.1 -32,-0.2 -0.265 28.5-145.3 -57.7 137.7 29.6 14.0 38.8 44 46 A D - 0 0 0 -34,-2.2 37,-1.9 1,-0.2 2,-0.3 0.825 64.9 -42.4 -74.8 -35.0 28.0 17.4 39.1 45 47 A G E -bc 11 81A 0 -35,-1.1 -33,-1.7 35,-0.3 2,-0.3 -0.965 53.0-101.6-175.4-176.7 24.4 16.1 39.5 46 48 A V E -bc 12 82A 0 35,-2.5 37,-2.3 -2,-0.3 2,-0.4 -0.867 19.2-140.5-125.8 165.6 21.7 13.7 38.4 47 49 A M E -bc 13 83A 2 -35,-1.9 -33,-3.2 -2,-0.3 2,-0.4 -0.958 21.4-176.7-124.2 143.3 18.6 13.9 36.2 48 50 A V E - c 0 84A 6 35,-2.3 37,-2.7 -2,-0.4 2,-0.4 -0.999 28.2-119.7-146.4 138.9 15.2 12.2 37.0 49 51 A D E - c 0 85A 14 -2,-0.4 2,-0.8 -34,-0.2 -30,-0.2 -0.629 17.9-155.2 -64.9 128.2 11.8 11.8 35.5 50 52 A V E - c 0 86A 0 35,-2.4 37,-1.6 -2,-0.4 2,-0.4 -0.873 25.3-142.9-108.6 91.2 9.1 13.3 37.6 51 53 A W E >> - c 0 87A 5 -2,-0.8 4,-2.5 1,-0.1 3,-1.1 -0.448 16.7-158.4 -73.1 116.4 6.2 11.1 36.3 52 54 A W H 3> S+ 0 0 0 35,-2.4 4,-2.5 -2,-0.4 -1,-0.1 0.879 95.3 58.1 -51.3 -44.3 2.8 12.8 35.9 53 55 A G H 34 S+ 0 0 16 34,-0.4 -1,-0.3 36,-0.3 52,-0.2 0.754 110.8 42.3 -61.2 -27.8 1.2 9.4 36.0 54 56 A L H X4 S+ 0 0 15 -3,-1.1 3,-0.8 2,-0.1 -2,-0.2 0.913 120.0 39.1 -81.1 -48.5 2.7 8.7 39.5 55 57 A V H 3< S+ 0 0 1 -4,-2.5 9,-2.1 1,-0.2 3,-0.3 0.898 126.8 30.3 -77.1 -42.8 2.1 12.1 41.1 56 58 A E T 3< S+ 0 0 0 -4,-2.5 -1,-0.2 -5,-0.2 6,-0.1 -0.168 85.9 119.1-107.1 36.0 -1.3 13.1 39.8 57 59 A G < + 0 0 31 -3,-0.8 49,-0.5 1,-0.2 48,-0.2 0.836 64.4 58.2 -68.2 -35.9 -2.6 9.4 39.5 58 60 A K S S- 0 0 195 4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.894 118.9 -62.0 -63.1 -44.0 -5.5 9.7 42.0 59 61 A G S > S- 0 0 11 3,-0.2 3,-2.0 46,-0.0 -1,-0.2 -0.952 80.8 -28.7 168.7 172.2 -7.5 12.4 40.4 60 62 A P T 3 S- 0 0 63 0, 0.0 -3,-0.0 0, 0.0 3,-0.0 -0.279 126.5 -6.3 -58.2 126.8 -7.3 16.0 39.3 61 63 A K T 3 S+ 0 0 128 1,-0.2 2,-1.4 -5,-0.1 -5,-0.0 0.506 92.5 129.7 63.7 13.8 -5.1 18.1 41.6 62 64 A A < - 0 0 35 -3,-2.0 -4,-0.5 -6,-0.1 2,-0.2 -0.415 39.9-179.4 -89.1 60.2 -4.6 15.1 43.9 63 65 A Y - 0 0 48 -2,-1.4 2,-0.6 -7,-0.1 -7,-0.2 -0.425 16.9-166.1 -71.7 128.5 -0.8 15.6 43.8 64 66 A D + 0 0 59 -9,-2.1 3,-0.3 -2,-0.2 4,-0.2 -0.894 18.0 163.9-115.4 96.6 1.2 13.0 45.8 65 67 A W > + 0 0 10 -2,-0.6 4,-2.5 1,-0.2 5,-0.2 0.355 41.5 108.3 -94.5 4.6 4.8 14.3 46.1 66 68 A S H > S+ 0 0 48 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.879 80.6 40.8 -53.0 -52.8 5.8 12.0 49.0 67 69 A A H > S+ 0 0 0 -44,-0.4 4,-2.3 -3,-0.3 -1,-0.2 0.905 114.7 52.5 -66.4 -44.2 8.2 9.7 47.1 68 70 A Y H > S+ 0 0 1 -4,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.878 106.9 51.9 -60.8 -41.3 9.7 12.5 45.1 69 71 A K H X S+ 0 0 74 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.890 109.2 51.2 -61.2 -38.3 10.5 14.5 48.2 70 72 A Q H X S+ 0 0 100 -4,-1.7 4,-2.1 -5,-0.2 -2,-0.2 0.932 111.8 47.4 -61.8 -45.5 12.3 11.5 49.7 71 73 A L H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.930 112.2 48.4 -61.1 -45.9 14.3 11.1 46.5 72 74 A F H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.883 109.0 53.6 -66.1 -37.8 15.3 14.7 46.3 73 75 A E H X S+ 0 0 92 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.910 108.9 50.0 -59.6 -42.8 16.3 14.7 50.0 74 76 A L H X S+ 0 0 15 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.926 110.8 48.6 -61.5 -44.2 18.6 11.8 49.3 75 77 A V H ><>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.7 0.935 111.9 50.3 -62.9 -42.5 20.2 13.6 46.3 76 78 A Q H ><5S+ 0 0 75 -4,-2.6 3,-1.8 1,-0.3 -1,-0.2 0.913 107.3 52.7 -60.1 -44.8 20.7 16.7 48.4 77 79 A K H 3<5S+ 0 0 153 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.693 104.6 57.3 -68.9 -16.1 22.3 14.8 51.2 78 80 A A T <<5S- 0 0 33 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.458 114.8-118.2 -89.7 -3.5 24.7 13.3 48.6 79 81 A G T < 5 + 0 0 47 -3,-1.8 2,-0.3 -4,-0.3 -3,-0.2 0.672 68.7 136.2 75.1 20.2 25.8 16.8 47.6 80 82 A L < - 0 0 6 -5,-1.9 -1,-0.3 1,-0.0 -35,-0.3 -0.699 51.9-126.0-102.0 149.1 24.5 16.4 44.0 81 83 A K E -c 45 0A 21 -37,-1.9 -35,-2.5 -2,-0.3 2,-0.4 -0.388 26.7-135.3 -82.6 171.3 22.6 18.9 41.9 82 84 A L E -cd 46 170A 0 87,-2.6 89,-2.3 -37,-0.2 90,-1.1 -0.993 15.8-162.7-142.5 127.7 19.3 17.8 40.2 83 85 A Q E -cd 47 172A 8 -37,-2.3 -35,-2.3 -2,-0.4 2,-0.5 -0.968 22.3-155.7-106.6 121.3 17.7 18.2 36.8 84 86 A A E -cd 48 173A 0 88,-2.8 90,-2.5 -2,-0.5 2,-0.5 -0.873 2.0-153.3-106.8 119.6 14.0 17.6 37.1 85 87 A I E -cd 49 174A 8 -37,-2.7 -35,-2.4 -2,-0.5 2,-1.3 -0.836 13.4-140.6 -92.6 126.5 12.0 16.4 34.0 86 88 A M E -cd 50 175A 0 88,-3.2 90,-1.6 -2,-0.5 2,-1.4 -0.743 27.7-161.5 -82.2 96.0 8.3 17.3 34.0 87 89 A S E +c 51 0A 0 -37,-1.6 -35,-2.4 -2,-1.3 -34,-0.4 -0.672 26.1 165.7 -98.7 87.6 7.4 14.0 32.5 88 90 A F + 0 0 0 -2,-1.4 43,-0.4 -37,-0.2 2,-0.3 -0.093 56.2 78.7 -88.1 31.0 4.0 14.4 31.0 89 91 A H S S- 0 0 8 41,-0.1 -36,-0.3 13,-0.1 2,-0.3 -0.844 86.2 -88.8-137.7 167.2 4.3 11.1 29.1 90 92 A Q - 0 0 22 39,-1.9 90,-0.4 -2,-0.3 2,-0.4 -0.622 30.9-141.5 -78.9 140.5 4.2 7.4 29.5 91 93 A C B -J 101 0B 8 10,-2.7 10,-2.0 -2,-0.3 6,-0.0 -0.837 67.7 -20.2 -93.4 137.2 7.3 5.4 30.5 92 94 A G + 0 0 17 -2,-0.4 8,-0.2 8,-0.2 3,-0.1 -0.252 57.8 149.8 68.0-154.0 7.6 2.1 28.7 93 95 A G + 0 0 30 1,-0.5 2,-0.3 4,-0.1 -1,-0.1 0.585 52.9 104.3 91.1 12.9 4.6 0.3 27.1 94 96 A N S > S- 0 0 36 96,-0.0 3,-2.8 98,-0.0 -1,-0.5 -0.770 83.4 -63.6-110.2 166.0 6.8 -1.3 24.5 95 97 A V T 3 S- 0 0 123 1,-0.3 3,-0.1 -2,-0.3 -3,-0.0 -0.727 119.0 -0.5 -83.2 142.5 7.9 -4.9 24.4 96 98 A G T 3 S+ 0 0 77 -2,-0.3 -1,-0.3 1,-0.1 2,-0.3 -0.045 82.4 154.3-104.9 85.3 9.7 -5.7 26.7 97 99 A D < - 0 0 54 -3,-2.8 -1,-0.1 1,-0.2 -4,-0.1 -0.572 29.0-157.1 -71.1 132.3 10.0 -2.5 28.7 98 100 A A S S+ 0 0 98 -2,-0.3 2,-0.5 1,-0.1 -1,-0.2 0.863 80.0 52.4 -77.4 -36.3 10.7 -3.4 32.3 99 101 A V + 0 0 22 2,-0.0 2,-0.4 -79,-0.0 -1,-0.1 -0.890 66.3 177.2-108.2 119.8 9.3 -0.1 33.7 100 102 A N + 0 0 71 -2,-0.5 -8,-0.2 -8,-0.2 -10,-0.0 -0.951 9.3 160.4-130.8 114.4 5.8 0.9 32.6 101 103 A I B -J 91 0B 4 -10,-2.0 -10,-2.7 -2,-0.4 -48,-0.2 -0.907 20.1-162.4-136.9 100.4 4.2 4.1 34.0 102 104 A P - 0 0 51 0, 0.0 3,-0.1 0, 0.0 -49,-0.1 -0.193 32.6 -87.9 -75.7 172.3 1.2 5.5 31.9 103 105 A I S S- 0 0 1 25,-0.4 5,-0.1 1,-0.2 -15,-0.1 -0.286 76.5 -55.5 -69.2 166.2 -0.2 9.0 32.1 104 106 A P >> - 0 0 1 0, 0.0 4,-2.1 0, 0.0 3,-0.9 -0.175 45.3-134.0 -54.7 133.9 -3.0 9.3 34.8 105 107 A Q H 3> S+ 0 0 147 1,-0.2 4,-2.6 -48,-0.2 5,-0.2 0.911 106.2 56.3 -51.4 -41.0 -5.9 6.9 34.4 106 108 A W H 3> S+ 0 0 20 -49,-0.5 4,-0.6 1,-0.2 -1,-0.2 0.821 106.7 50.9 -68.9 -24.2 -8.4 9.6 35.0 107 109 A V H X> S+ 0 0 0 -3,-0.9 3,-1.1 2,-0.2 4,-0.6 0.940 110.3 48.4 -72.1 -47.1 -6.9 11.5 32.0 108 110 A R H >< S+ 0 0 89 -4,-2.1 3,-1.6 1,-0.3 4,-0.4 0.858 99.4 68.0 -60.5 -33.7 -7.1 8.4 29.8 109 111 A D H >X S+ 0 0 90 -4,-2.6 3,-1.5 1,-0.3 4,-0.6 0.833 91.1 62.5 -56.3 -33.7 -10.8 7.9 30.9 110 112 A V H < + 0 0 22 -4,-1.7 3,-1.5 -5,-0.2 -1,-0.2 -0.680 60.6 168.9-133.0 81.1 -13.1 11.4 23.2 115 117 A P G > + 0 0 44 0, 0.0 3,-1.2 0, 0.0 -4,-0.1 0.632 68.1 81.1 -72.1 -6.3 -10.4 9.2 21.6 116 118 A D G 3 + 0 0 24 1,-0.3 92,-0.4 -3,-0.1 4,-0.1 0.391 65.0 86.0 -82.2 5.7 -9.1 12.2 19.7 117 119 A I G < S+ 0 0 0 -3,-1.5 15,-2.3 -9,-0.1 2,-0.3 0.554 85.1 73.0 -72.4 -9.0 -7.2 13.4 22.8 118 120 A F E < S-K 131 0C 12 -3,-1.2 13,-0.1 13,-0.2 10,-0.1 -0.828 98.8-101.1-109.7 143.5 -4.4 11.1 21.5 119 121 A Y E -K 127 0C 2 11,-0.6 8,-2.8 8,-0.5 2,-0.4 -0.465 47.8-160.6 -58.3 136.1 -2.1 11.6 18.5 120 122 A T E -K 126 0C 4 83,-0.3 85,-2.4 6,-0.2 86,-0.4 -0.964 7.4-140.4-131.1 135.9 -3.7 9.4 15.8 121 123 A D > - 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