==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 08-APR-03 1OZ9 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN AQ_1354; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR V.OGANESYAN,D.BUSSO,J.BRANDSEN,S.CHEN,J.JANCARIK,R.KIM,S.H.K . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8365.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 77.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 12.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 6.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 9 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 44.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 0 0 0 0 0 0 0 1 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 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 PARALLEL BRIDGES PER LADDER . 0 1 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 8 A K 0 0 191 0, 0.0 32,-2.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 -77.5 30.4 19.8 36.7 2 9 A N - 0 0 25 31,-0.2 2,-0.7 30,-0.2 33,-0.2 -0.843 360.0-123.1-123.3 163.7 34.1 19.7 36.3 3 10 A R E -a 35 0A 131 31,-2.9 33,-2.5 -2,-0.3 2,-0.6 -0.916 26.5-174.3-114.0 106.6 36.3 17.4 34.2 4 11 A V E -a 36 0A 9 -2,-0.7 2,-0.6 31,-0.2 33,-0.2 -0.919 4.2-166.3-102.2 121.6 38.8 15.6 36.3 5 12 A L E -a 37 0A 56 31,-2.9 33,-2.8 -2,-0.6 2,-0.5 -0.924 5.5-168.9-109.9 111.5 41.2 13.4 34.3 6 13 A V E -a 38 0A 14 -2,-0.6 2,-0.4 31,-0.2 33,-0.2 -0.862 5.3-175.3-106.8 130.8 43.2 11.0 36.4 7 14 A K E -a 39 0A 153 31,-3.1 33,-2.3 -2,-0.5 2,-0.6 -0.989 7.0-162.1-124.1 127.8 46.2 9.1 35.0 8 15 A L E +a 40 0A 27 -2,-0.4 33,-0.2 31,-0.2 3,-0.1 -0.937 30.8 158.5-118.1 118.6 48.0 6.5 37.0 9 16 A K S S+ 0 0 107 31,-2.9 2,-0.4 -2,-0.6 32,-0.2 0.706 88.2 44.8 -90.7 -36.1 51.5 5.1 36.3 10 17 A K S S- 0 0 74 30,-2.0 -1,-0.3 -3,-0.2 3,-0.2 -0.922 74.3-173.2-109.6 135.1 51.6 4.1 40.0 11 18 A R + 0 0 185 -2,-0.4 4,-0.1 1,-0.1 -1,-0.1 0.074 45.1 113.4-125.8 24.3 48.4 2.4 41.2 12 19 A K S S+ 0 0 149 2,-0.1 2,-0.5 1,-0.0 -1,-0.1 0.796 78.6 59.8 -69.1 -27.0 48.4 1.7 45.0 13 20 A V S S- 0 0 5 -3,-0.2 5,-0.1 85,-0.1 -1,-0.0 -0.877 100.1-104.4-104.3 130.6 45.6 4.2 45.4 14 21 A R > - 0 0 133 -2,-0.5 4,-1.9 1,-0.1 3,-0.4 -0.180 18.1-134.1 -54.8 137.1 42.3 3.6 43.6 15 22 A K H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.881 105.0 53.5 -59.2 -42.9 41.6 5.8 40.6 16 23 A D H > S+ 0 0 84 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.804 106.8 52.5 -66.1 -28.3 38.0 6.5 41.6 17 24 A K H > S+ 0 0 59 -3,-0.4 4,-2.7 2,-0.2 5,-0.2 0.915 110.4 46.7 -72.1 -42.8 39.2 7.8 45.0 18 25 A I H X S+ 0 0 1 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.917 113.3 50.2 -62.8 -43.0 41.7 10.2 43.5 19 26 A E H X S+ 0 0 60 -4,-2.5 4,-2.8 -5,-0.2 -2,-0.2 0.937 111.6 47.7 -61.0 -47.6 39.0 11.3 41.1 20 27 A K H X S+ 0 0 126 -4,-2.3 4,-3.1 2,-0.2 5,-0.2 0.913 111.1 49.6 -59.1 -48.6 36.5 11.9 44.0 21 28 A W H X S+ 0 0 27 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.926 113.5 47.6 -56.8 -46.2 38.9 13.8 46.2 22 29 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.922 113.5 46.7 -62.7 -45.0 39.8 16.0 43.2 23 30 A E H X S+ 0 0 82 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.906 113.0 49.5 -64.1 -40.4 36.1 16.6 42.4 24 31 A L H X S+ 0 0 70 -4,-3.1 4,-2.3 2,-0.2 -1,-0.2 0.876 110.8 50.1 -66.0 -39.5 35.3 17.3 46.0 25 32 A A H X S+ 0 0 0 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.933 110.9 48.7 -63.3 -46.2 38.2 19.8 46.2 26 33 A L H <>S+ 0 0 0 -4,-2.5 5,-2.3 1,-0.2 -2,-0.2 0.914 113.4 48.2 -60.6 -41.2 37.1 21.6 43.1 27 34 A S H ><5S+ 0 0 85 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.871 108.4 52.3 -66.5 -38.0 33.5 21.8 44.4 28 35 A A H 3<5S+ 0 0 23 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.844 108.3 54.0 -68.3 -26.8 34.6 23.1 47.8 29 36 A L T 3<5S- 0 0 38 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.469 114.5-121.0 -84.2 -2.5 36.5 25.7 45.9 30 37 A G T < 5 + 0 0 52 -3,-1.4 2,-0.2 1,-0.2 -3,-0.2 0.655 58.6 153.0 75.2 17.6 33.3 26.7 44.0 31 38 A L < - 0 0 42 -5,-2.3 2,-0.3 3,-0.0 -1,-0.2 -0.592 20.6-175.8 -86.1 142.4 34.8 26.0 40.6 32 39 A N + 0 0 90 -2,-0.2 -30,-0.2 1,-0.1 -5,-0.0 -0.986 60.0 10.0-136.3 144.5 32.5 25.0 37.7 33 40 A N S S+ 0 0 88 -32,-2.1 42,-1.8 -2,-0.3 2,-0.3 0.873 88.2 130.9 57.6 41.4 33.4 23.9 34.2 34 41 A V E - b 0 75A 9 40,-0.2 -31,-2.9 -33,-0.2 2,-0.4 -0.847 50.5-132.2-119.8 161.2 37.1 23.5 34.6 35 42 A E E -ab 3 76A 31 40,-2.2 42,-2.5 -2,-0.3 43,-1.0 -0.928 22.3-179.8-112.7 135.8 39.4 20.7 33.6 36 43 A L E -ab 4 78A 0 -33,-2.5 -31,-2.9 -2,-0.4 2,-0.4 -0.998 11.6-156.5-135.3 131.4 42.0 19.3 36.0 37 44 A S E -ab 5 79A 28 41,-2.5 43,-2.5 -2,-0.4 2,-0.5 -0.905 6.0-167.2-107.6 136.6 44.5 16.5 35.3 38 45 A V E -ab 6 80A 2 -33,-2.8 -31,-3.1 -2,-0.4 2,-0.5 -0.990 3.8-170.6-121.5 125.5 46.0 14.5 38.1 39 46 A Y E -ab 7 81A 60 41,-2.9 43,-2.8 -2,-0.5 2,-0.6 -0.968 8.8-162.5-118.2 127.0 49.0 12.2 37.4 40 47 A I E +ab 8 82A 4 -33,-2.3 -31,-2.9 -2,-0.5 -30,-2.0 -0.936 34.0 145.2-106.1 114.8 50.3 9.7 40.0 41 48 A T E - b 0 83A 0 41,-3.0 43,-2.8 -2,-0.6 44,-0.5 -0.392 41.2 -84.3-130.7-156.9 53.8 8.7 38.9 42 49 A D > - 0 0 25 41,-0.2 4,-2.2 42,-0.2 5,-0.2 -0.599 39.6 -96.8-115.9 176.8 57.2 7.7 40.4 43 50 A D H > S+ 0 0 17 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.850 118.2 55.8 -63.0 -36.5 60.4 9.4 41.6 44 51 A Q H > S+ 0 0 152 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.930 111.0 42.8 -65.1 -43.2 62.2 9.1 38.3 45 52 A E H > S+ 0 0 48 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.938 113.6 49.9 -70.9 -42.2 59.5 10.9 36.3 46 53 A I H X S+ 0 0 0 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.878 107.6 57.3 -65.9 -27.7 58.9 13.6 38.9 47 54 A R H X S+ 0 0 113 -4,-1.9 4,-2.7 -5,-0.2 11,-0.4 0.941 105.1 48.5 -66.9 -45.5 62.6 14.2 39.0 48 55 A E H X S+ 0 0 130 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.926 113.9 48.8 -58.8 -42.2 62.8 14.9 35.2 49 56 A L H X S+ 0 0 33 -4,-2.1 4,-3.2 2,-0.2 5,-0.4 0.929 110.3 49.5 -62.4 -46.1 59.9 17.2 35.7 50 57 A N H X S+ 0 0 6 -4,-3.0 6,-1.9 1,-0.2 4,-1.7 0.883 114.5 46.4 -60.6 -40.6 61.5 19.0 38.6 51 58 A K H X S+ 0 0 118 -4,-2.7 4,-1.0 4,-0.3 -2,-0.2 0.944 117.4 41.5 -66.7 -49.4 64.7 19.4 36.6 52 59 A T H < S+ 0 0 97 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.932 128.2 27.7 -66.5 -45.3 63.0 20.6 33.5 53 60 A Y H < S+ 0 0 148 -4,-3.2 -3,-0.2 -5,-0.2 -1,-0.2 0.568 135.7 22.5 -97.8 -13.9 60.5 22.9 35.0 54 61 A R H < S- 0 0 89 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.364 93.9-121.9-133.6 0.8 62.0 24.1 38.3 55 62 A K S < S+ 0 0 192 -4,-1.0 2,-0.5 -5,-0.3 -4,-0.3 0.873 71.8 128.4 54.6 40.7 65.7 23.6 37.7 56 63 A K - 0 0 93 -6,-1.9 2,-2.1 -9,-0.2 -1,-0.2 -0.913 50.4-153.3-128.3 103.4 65.9 21.2 40.7 57 64 A D + 0 0 80 -2,-0.5 -9,-0.1 -6,-0.2 -10,-0.1 -0.477 62.9 79.3 -79.4 74.4 67.5 17.9 39.9 58 65 A K S S- 0 0 120 -2,-2.1 -8,-0.2 -11,-0.4 -2,-0.1 -0.966 81.6 -92.6-167.4 160.2 65.8 15.8 42.5 59 66 A P + 0 0 51 0, 0.0 2,-0.3 0, 0.0 -16,-0.1 -0.296 41.4 179.9 -73.0 165.3 62.5 14.0 43.2 60 67 A T - 0 0 37 -17,-0.1 26,-0.3 1,-0.1 23,-0.2 -0.912 35.9-109.0-154.1 176.9 59.7 15.7 45.2 61 68 A D S S+ 0 0 37 1,-0.3 22,-2.0 -2,-0.3 2,-0.3 0.908 90.0 0.5 -83.2 -43.6 56.2 15.0 46.4 62 69 A V E -C 82 0A 9 20,-0.2 2,-0.4 24,-0.1 -1,-0.3 -0.999 52.9-172.2-149.1 143.4 54.0 17.1 44.1 63 70 A L E -C 81 0A 1 18,-2.6 18,-2.9 -2,-0.3 2,-0.4 -0.987 12.1-153.1-130.5 144.3 54.4 19.6 41.3 64 71 A S E -C 80 0A 18 -2,-0.4 16,-0.2 16,-0.2 46,-0.0 -0.965 4.8-165.8-120.1 138.8 51.6 21.7 39.7 65 72 A F E -C 79 0A 27 14,-3.1 14,-2.4 -2,-0.4 2,-0.1 -0.908 12.1-147.0-126.6 103.4 51.6 23.0 36.1 66 73 A P E +C 78 0A 93 0, 0.0 12,-0.3 0, 0.0 11,-0.1 -0.416 24.6 165.1 -69.3 142.2 49.2 25.8 35.1 67 74 A M - 0 0 115 10,-1.8 10,-0.2 9,-0.3 11,-0.1 0.533 8.7-179.9-114.3 -87.9 47.8 25.8 31.6 68 75 A G + 0 0 22 8,-2.1 9,-0.1 1,-0.3 10,-0.1 0.317 18.1 151.1 107.9 -9.6 44.8 28.2 31.5 69 76 A E - 0 0 126 6,-0.1 7,-2.6 7,-0.1 2,-0.4 -0.232 31.5-149.5 -57.3 144.9 43.6 28.0 28.0 70 77 A E E -D 75 0A 117 5,-0.2 2,-0.4 3,-0.0 5,-0.2 -0.930 16.3-167.1-118.5 145.6 39.8 28.7 27.6 71 78 A F E > S-D 74 0A 116 3,-2.9 3,-2.4 -2,-0.4 -2,-0.0 -0.930 75.6 -46.8-129.7 102.8 37.3 27.4 25.1 72 79 A G T 3 S- 0 0 89 -2,-0.4 3,-0.1 1,-0.3 -1,-0.0 0.876 124.2 -31.1 39.4 58.6 34.0 29.3 25.3 73 80 A G T 3 S+ 0 0 52 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.265 114.8 107.5 94.2 -24.2 33.7 29.2 29.1 74 81 A Y E < - D 0 71A 55 -3,-2.4 -3,-2.9 -40,-0.0 2,-0.4 -0.828 54.6-164.1 -88.4 130.6 35.4 25.9 29.7 75 82 A K E -bD 34 70A 75 -42,-1.8 -40,-2.2 -2,-0.5 2,-0.7 -0.974 17.8-139.9-125.9 132.0 38.8 26.5 31.2 76 83 A I E -b 35 0A 26 -7,-2.6 -8,-2.1 -2,-0.4 -9,-0.3 -0.800 15.7-173.5 -87.8 112.8 41.8 24.1 31.6 77 84 A L E - 0 0 22 -42,-2.5 -10,-1.8 -2,-0.7 2,-0.3 0.924 37.9-126.5 -75.5 -44.6 43.3 24.7 35.0 78 85 A G E -bC 36 66A 1 -43,-1.0 -41,-2.5 -12,-0.3 2,-0.4 -0.933 32.1 -36.5 135.7-156.2 46.3 22.4 34.4 79 86 A D E -bC 37 65A 51 -14,-2.4 -14,-3.1 -2,-0.3 2,-0.4 -0.847 25.1-163.8-116.2 147.2 48.1 19.5 35.9 80 87 A V E -bC 38 64A 0 -43,-2.5 -41,-2.9 -2,-0.4 2,-0.5 -0.994 16.3-168.3-121.0 126.2 49.0 18.1 39.3 81 88 A V E -bC 39 63A 8 -18,-2.9 -18,-2.6 -2,-0.4 2,-0.4 -0.980 4.9-175.6-121.5 126.9 51.7 15.5 39.3 82 89 A I E -bC 40 62A 0 -43,-2.8 -41,-3.0 -2,-0.5 2,-0.7 -0.933 21.1-135.5-123.8 139.2 52.4 13.4 42.5 83 90 A S E > -b 41 0A 0 -22,-2.0 4,-2.7 -2,-0.4 -41,-0.2 -0.847 5.8-161.2 -95.2 119.5 55.1 10.8 43.1 84 91 A Q H > S+ 0 0 17 -43,-2.8 4,-2.5 -2,-0.7 5,-0.2 0.865 91.5 59.3 -59.7 -38.2 53.8 7.8 44.9 85 92 A D H > S+ 0 0 39 -44,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.922 111.8 37.4 -58.0 -48.6 57.3 6.9 45.9 86 93 A T H > S+ 0 0 12 -26,-0.3 4,-2.3 2,-0.2 5,-0.2 0.909 113.3 57.2 -72.6 -40.1 57.8 10.1 47.8 87 94 A A H X S+ 0 0 0 -4,-2.7 4,-2.8 1,-0.2 -2,-0.2 0.888 105.2 52.6 -55.8 -41.6 54.3 10.1 49.1 88 95 A E H X S+ 0 0 63 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.915 110.0 47.5 -62.5 -41.9 54.9 6.7 50.6 89 96 A R H X S+ 0 0 100 -4,-1.4 4,-2.5 2,-0.2 -1,-0.2 0.880 113.7 47.1 -66.7 -40.4 58.0 7.9 52.4 90 97 A Q H X S+ 0 0 43 -4,-2.3 4,-3.2 2,-0.2 5,-0.2 0.918 109.7 52.5 -68.0 -43.1 56.3 11.0 53.7 91 98 A A H X>S+ 0 0 5 -4,-2.8 5,-1.9 -5,-0.2 4,-1.4 0.922 111.4 48.5 -57.2 -41.9 53.3 9.0 54.9 92 99 A R H <5S+ 0 0 181 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.937 114.2 45.5 -63.2 -46.3 55.8 6.8 56.8 93 100 A E H <5S+ 0 0 143 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.861 117.2 44.3 -67.0 -34.1 57.5 9.8 58.3 94 101 A L H <5S- 0 0 111 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.610 108.6-119.2 -90.1 -12.4 54.3 11.5 59.2 95 102 A G T <5S+ 0 0 69 -4,-1.4 2,-0.3 -3,-0.3 -3,-0.2 0.831 73.0 104.9 80.3 31.8 52.5 8.5 60.6 96 103 A H S - 0 0 67 -2,-0.3 4,-2.1 1,-0.1 5,-0.1 -0.234 32.8-119.4 -73.2 159.9 48.2 6.3 55.4 98 105 A L H > S+ 0 0 31 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.904 117.4 54.4 -59.8 -40.7 49.4 6.6 51.8 99 106 A E H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.924 107.2 49.7 -61.5 -43.0 45.8 7.5 50.9 100 107 A E H > S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.919 112.6 47.4 -62.8 -40.0 45.8 10.3 53.4 101 108 A E H X S+ 0 0 10 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.913 112.7 48.2 -68.6 -41.5 49.1 11.6 52.0 102 109 A V H X S+ 0 0 2 -4,-3.2 4,-2.1 2,-0.2 -1,-0.2 0.917 110.8 51.2 -64.5 -41.6 48.0 11.4 48.4 103 110 A K H X S+ 0 0 31 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.933 111.6 47.9 -58.1 -45.9 44.7 13.2 49.3 104 111 A R H X S+ 0 0 107 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.860 110.6 51.2 -65.3 -36.3 46.7 16.0 51.0 105 112 A L H X S+ 0 0 6 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.830 105.9 55.3 -72.2 -34.3 49.0 16.3 48.1 106 113 A I H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.944 111.5 44.2 -61.7 -46.3 46.1 16.6 45.7 107 114 A V H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 5,-0.2 0.942 113.0 51.1 -62.9 -45.6 44.7 19.5 47.7 108 115 A H H X S+ 0 0 26 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.935 112.2 47.5 -58.2 -45.2 48.2 21.1 48.0 109 116 A G H X S+ 0 0 1 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.892 110.4 51.1 -63.4 -40.4 48.6 20.8 44.2 110 117 A I H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.918 108.1 51.7 -65.5 -44.5 45.2 22.3 43.4 111 118 A V H <>S+ 0 0 1 -4,-2.5 5,-1.4 1,-0.2 3,-0.5 0.905 109.7 50.0 -60.8 -39.4 45.8 25.3 45.7 112 119 A H H ><5S+ 0 0 32 -4,-1.9 3,-1.8 1,-0.2 -1,-0.2 0.887 106.9 56.6 -61.2 -39.8 49.1 25.9 43.9 113 120 A L H 3<5S+ 0 0 17 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.758 98.1 60.3 -65.9 -26.1 47.3 25.7 40.6 114 121 A L T 3<5S- 0 0 54 -4,-1.3 -1,-0.3 -3,-0.5 -2,-0.2 0.380 128.1 -96.4 -82.2 2.5 45.0 28.4 41.6 115 122 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.3 1,-0.3 -3,-0.2 0.703 81.5 127.8 95.7 20.7 48.0 30.7 42.0 116 123 A Y < - 0 0 88 -5,-1.4 2,-0.4 12,-0.1 -1,-0.3 -0.810 32.9-171.9-104.3 152.1 48.9 30.7 45.7 117 124 A D - 0 0 61 -2,-0.3 4,-0.2 4,-0.1 3,-0.2 -0.993 16.4-168.1-143.0 132.0 52.4 29.9 46.8 118 125 A H S > S+ 0 0 36 -2,-0.4 3,-1.1 1,-0.2 7,-0.2 0.670 75.3 82.4 -92.9 -15.0 53.5 29.3 50.4 119 126 A E T 3 S+ 0 0 121 1,-0.3 -1,-0.2 5,-0.1 3,-0.1 0.740 81.3 64.4 -63.4 -23.8 57.2 29.5 49.8 120 127 A K T 3 S- 0 0 148 1,-0.2 -1,-0.3 -3,-0.2 2,-0.3 0.911 94.0-156.8 -61.9 -39.7 57.2 33.3 49.8 121 128 A G X> + 0 0 16 -3,-1.1 4,-1.9 -4,-0.2 3,-0.7 -0.675 53.6 66.7 91.0-156.3 56.2 33.1 53.5 122 129 A G H 3> S- 0 0 60 -2,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.005 116.5 -9.1 45.2-139.7 54.4 36.0 55.0 123 130 A E H 3> S+ 0 0 122 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.841 134.5 56.5 -56.0 -40.3 50.9 36.9 53.8 124 131 A E H <> S+ 0 0 74 -3,-0.7 4,-2.7 2,-0.2 -1,-0.2 0.941 106.7 47.7 -64.4 -41.9 51.0 34.5 50.9 125 132 A E H X S+ 0 0 86 -4,-1.9 4,-3.1 -7,-0.2 5,-0.3 0.943 111.0 54.8 -62.0 -43.7 51.7 31.4 53.1 126 133 A K H X S+ 0 0 107 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.947 112.1 41.0 -53.8 -53.9 48.9 32.6 55.3 127 134 A K H X S+ 0 0 95 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.848 114.2 53.7 -66.2 -33.0 46.4 32.7 52.5 128 135 A F H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.957 112.5 42.9 -63.6 -51.3 47.7 29.5 51.0 129 136 A R H X S+ 0 0 91 -4,-3.1 4,-3.0 2,-0.2 5,-0.3 0.905 110.2 54.6 -65.6 -44.5 47.3 27.6 54.3 130 137 A E H X S+ 0 0 104 -4,-2.6 4,-2.7 -5,-0.3 -1,-0.2 0.953 113.2 44.3 -53.4 -44.9 43.9 29.0 55.2 131 138 A L H X S+ 0 0 37 -4,-1.9 4,-2.4 1,-0.2 -2,-0.2 0.924 114.5 47.9 -67.5 -42.0 42.6 27.8 51.7 132 139 A E H X S+ 0 0 16 -4,-2.5 4,-2.8 2,-0.2 -1,-0.2 0.933 112.8 48.8 -63.1 -46.3 44.3 24.4 52.0 133 140 A N H X S+ 0 0 99 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.937 110.2 52.1 -59.3 -46.1 42.9 23.9 55.5 134 141 A Y H X S+ 0 0 113 -4,-2.7 4,-1.5 -5,-0.3 -2,-0.2 0.928 111.7 45.5 -55.1 -48.1 39.4 24.9 54.4 135 142 A V H X S+ 0 0 1 -4,-2.4 4,-1.5 1,-0.2 3,-0.4 0.942 111.9 51.6 -65.2 -44.3 39.5 22.4 51.5 136 143 A L H >X S+ 0 0 43 -4,-2.8 4,-1.4 1,-0.3 3,-0.5 0.911 107.2 53.6 -56.8 -42.8 40.8 19.7 53.8 137 144 A S H 3X S+ 0 0 36 -4,-2.7 4,-2.2 1,-0.2 -1,-0.3 0.851 107.6 51.5 -61.9 -32.1 38.1 20.4 56.2 138 145 A K H 3< S+ 0 0 94 -4,-1.5 -1,-0.2 -3,-0.4 -2,-0.2 0.752 110.7 47.3 -76.0 -25.2 35.5 19.9 53.4 139 146 A L H << S+ 0 0 19 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.600 111.9 51.1 -89.0 -15.2 37.0 16.6 52.5 140 147 A S H < 0 0 88 -4,-1.4 -2,-0.2 -5,-0.2 -3,-0.2 0.943 360.0 360.0 -79.8 -59.2 37.1 15.4 56.1 141 148 A K < 0 0 181 -4,-2.2 0, 0.0 -5,-0.2 0, 0.0 -0.224 360.0 360.0 -63.0 360.0 33.4 16.3 56.6