==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 27-NOV-09 3KUE . COMPND 2 MOLECULE: 2-AMINO-4-HYDROXY-6-HYDROXYMETHYLDIHYDROPTERIDINE . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.BLASZCZYK,Y.LI,H.YAN,X.JI . 158 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8876.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 63.9 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 . 37 23.4 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 11 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 23.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 0 0 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 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 . 1 2 1 0 1 0 1 1 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 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 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 T 0 0 69 0, 0.0 61,-2.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 141.2 10.8 -3.5 21.2 2 2 A V E -A 61 0A 46 59,-0.2 100,-2.9 61,-0.1 2,-0.4 -0.793 360.0-175.5 -89.0 119.4 9.1 -3.8 17.8 3 3 A A E -AB 60 101A 0 57,-3.1 57,-3.1 -2,-0.6 2,-0.5 -0.906 16.1-143.0-109.0 145.0 10.9 -1.8 15.1 4 4 A Y E -AB 59 100A 42 96,-2.2 95,-2.7 -2,-0.4 96,-1.4 -0.940 18.3-167.5-110.1 128.6 9.5 -1.6 11.6 5 5 A I E -AB 58 98A 0 53,-2.7 53,-2.4 -2,-0.5 2,-0.4 -0.923 11.6-146.2-120.0 130.0 12.1 -1.6 8.8 6 6 A A E -AB 57 97A 8 91,-3.0 91,-2.4 -2,-0.4 2,-0.4 -0.830 13.5-166.4 -91.6 135.3 11.6 -0.7 5.1 7 7 A I E +AB 56 96A 4 49,-2.5 49,-2.4 -2,-0.4 2,-0.3 -0.978 11.6 170.5-116.7 136.9 13.6 -2.6 2.5 8 8 A G E +AB 55 95A 7 87,-2.2 87,-3.3 -2,-0.4 2,-0.3 -0.996 1.0 168.1-144.2 138.8 13.9 -1.4 -1.0 9 9 A S E +AB 54 94A 0 45,-1.9 45,-3.1 -2,-0.3 85,-0.2 -0.956 28.0 171.9-150.4 138.6 16.0 -2.5 -3.9 10 10 A N + 0 0 9 83,-1.6 2,-0.3 -2,-0.3 84,-0.1 0.024 52.6 128.2-118.3 24.4 16.3 -2.0 -7.7 11 11 A L S S- 0 0 1 82,-0.5 6,-0.3 3,-0.1 41,-0.0 -0.589 77.4 -52.1 -83.8 139.6 19.7 -3.8 -7.7 12 12 A A S S- 0 0 55 -2,-0.3 3,-0.1 1,-0.1 -3,-0.0 -0.017 127.0 -6.5 41.3-123.4 20.5 -6.7 -10.1 13 13 A S S >> S- 0 0 75 1,-0.1 4,-1.2 2,-0.0 3,-0.8 -0.911 79.1-158.1 -97.5 106.4 17.8 -9.3 -9.6 14 14 A P H 3> S+ 0 0 15 0, 0.0 4,-2.5 0, 0.0 5,-0.3 0.758 78.9 69.8 -65.1 -28.0 16.0 -7.6 -6.7 15 15 A L H 3> S+ 0 0 76 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.929 107.5 36.6 -55.3 -47.9 14.2 -10.6 -5.3 16 16 A E H <> S+ 0 0 126 -3,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.764 111.9 59.8 -81.7 -23.7 17.4 -12.2 -4.1 17 17 A Q H X S+ 0 0 38 -4,-1.2 4,-2.0 -6,-0.3 -1,-0.2 0.921 109.6 44.3 -59.9 -46.7 18.9 -8.9 -3.0 18 18 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.894 110.6 53.8 -69.8 -39.3 16.0 -8.4 -0.7 19 19 A N H X S+ 0 0 77 -4,-1.9 4,-2.3 -5,-0.3 -1,-0.2 0.905 108.6 50.3 -63.6 -36.2 16.2 -12.0 0.5 20 20 A A H X S+ 0 0 34 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.904 109.5 50.2 -64.2 -42.4 19.9 -11.4 1.4 21 21 A A H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.907 109.5 52.5 -62.4 -39.3 18.9 -8.2 3.3 22 22 A L H X S+ 0 0 22 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.934 108.4 49.0 -63.3 -46.9 16.3 -10.2 5.2 23 23 A K H X S+ 0 0 143 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.925 111.7 50.5 -55.4 -45.1 18.8 -12.8 6.2 24 24 A A H < S+ 0 0 10 -4,-2.3 3,-0.4 1,-0.2 4,-0.3 0.897 107.7 52.9 -62.6 -39.5 21.1 -10.1 7.3 25 25 A L H >< S+ 0 0 0 -4,-2.5 3,-1.4 1,-0.2 -1,-0.2 0.916 107.2 51.7 -60.5 -44.9 18.4 -8.4 9.4 26 26 A G H 3< S+ 0 0 30 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.770 104.8 58.4 -61.8 -25.6 17.7 -11.7 11.1 27 27 A D T 3< S+ 0 0 106 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.434 77.1 117.0 -86.5 -2.0 21.4 -11.9 12.0 28 28 A I S X S- 0 0 5 -3,-1.4 3,-1.1 -4,-0.3 41,-0.0 -0.454 77.5-100.6 -63.3 140.2 21.4 -8.6 13.8 29 29 A P T 3 S+ 0 0 64 0, 0.0 35,-0.2 0, 0.0 34,-0.1 -0.343 99.6 6.3 -63.1 142.5 22.3 -9.2 17.5 30 30 A E T 3 S+ 0 0 131 1,-0.2 33,-2.5 32,-0.1 34,-0.4 0.757 114.1 99.5 63.2 26.5 19.5 -9.2 20.1 31 31 A S E < -C 62 0A 17 -3,-1.1 2,-0.3 31,-0.2 31,-0.2 -0.991 46.3-177.7-146.4 142.0 17.0 -9.1 17.3 32 32 A H E -C 61 0A 106 29,-2.6 29,-2.7 -2,-0.3 2,-0.4 -0.994 32.9-107.1-145.5 149.3 14.7 -11.4 15.4 33 33 A I E -C 60 0A 47 -2,-0.3 27,-0.3 27,-0.2 3,-0.1 -0.545 26.9-178.4 -72.4 122.6 12.2 -11.0 12.5 34 34 A L E - 0 0 79 25,-3.0 2,-0.3 -2,-0.4 26,-0.2 0.889 66.6 -19.4 -86.1 -49.2 8.6 -11.3 13.6 35 35 A T E -C 59 0A 66 24,-1.2 24,-2.6 0, 0.0 2,-0.4 -0.987 52.4-146.1-156.7 160.6 7.0 -11.0 10.2 36 36 A V E -C 58 0A 46 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.991 21.9-128.6-128.9 136.8 7.7 -9.8 6.6 37 37 A S - 0 0 9 20,-2.9 91,-0.1 -2,-0.4 3,-0.0 -0.144 39.2 -82.9 -67.9 172.9 5.2 -8.2 4.2 38 38 A S - 0 0 39 89,-0.1 2,-0.5 1,-0.1 19,-0.4 -0.256 54.8 -98.4 -60.4 167.5 4.5 -9.3 0.7 39 39 A F - 0 0 42 17,-0.1 119,-2.8 -3,-0.1 2,-0.2 -0.821 42.8-160.6 -96.4 131.8 7.0 -8.0 -1.9 40 40 A Y E -DE 55 157A 18 15,-2.9 15,-2.4 -2,-0.5 2,-0.4 -0.740 9.4-131.9-112.9 164.0 5.7 -4.9 -3.8 41 41 A R E -DE 54 156A 78 115,-2.9 115,-0.6 -2,-0.2 13,-0.2 -0.966 15.5-175.0-124.3 123.2 6.8 -3.3 -7.1 42 42 A T E -D 53 0A 30 11,-2.8 11,-3.1 -2,-0.4 113,-0.1 -0.974 22.1-137.7-117.3 119.4 7.5 0.4 -7.8 43 43 A P - 0 0 84 0, 0.0 9,-0.1 0, 0.0 3,-0.0 -0.332 27.7-101.9 -70.4 155.7 8.2 1.4 -11.4 44 44 A P - 0 0 37 0, 0.0 2,-0.3 0, 0.0 8,-0.1 -0.318 39.5-102.3 -70.9 162.1 11.0 3.9 -12.1 45 45 A L S S+ 0 0 160 2,-0.0 3,-0.2 -2,-0.0 0, 0.0 -0.695 84.0 16.7 -85.8 137.4 10.1 7.5 -12.9 46 46 A G S S- 0 0 40 -2,-0.3 4,-0.2 1,-0.2 0, 0.0 0.044 98.1 -71.1 86.7 164.0 10.2 8.5 -16.5 47 47 A P S S+ 0 0 131 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.668 87.8 121.5 -66.4 -23.4 10.3 6.5 -19.8 48 48 A Q S S- 0 0 127 -3,-0.2 2,-1.8 1,-0.2 0, 0.0 0.026 76.7-110.4 -46.7 145.5 13.9 5.2 -19.3 49 49 A D + 0 0 175 2,-0.0 -1,-0.2 0, 0.0 -3,-0.0 -0.650 63.7 150.2 -77.2 85.9 14.5 1.5 -19.2 50 50 A Q - 0 0 65 -2,-1.8 2,-0.1 -4,-0.2 42,-0.0 -0.863 49.6 -98.5-117.1 154.2 15.3 1.4 -15.6 51 51 A P - 0 0 45 0, 0.0 2,-0.1 0, 0.0 -39,-0.0 -0.381 37.9-112.2 -71.2 148.5 14.7 -1.5 -13.2 52 52 A D - 0 0 45 -9,-0.1 2,-0.4 -2,-0.1 -11,-0.0 -0.433 29.5-116.7 -73.7 154.0 11.7 -1.6 -10.9 53 53 A Y E - D 0 42A 55 -11,-3.1 -11,-2.8 -2,-0.1 2,-0.5 -0.803 17.5-144.2 -92.4 136.3 12.1 -1.3 -7.1 54 54 A L E -AD 9 41A 0 -45,-3.1 -45,-1.9 -2,-0.4 2,-0.4 -0.894 22.4-165.8 -95.6 127.0 11.1 -4.2 -4.9 55 55 A N E +AD 8 40A 8 -15,-2.4 -15,-2.9 -2,-0.5 2,-0.3 -0.915 14.6 160.6-117.5 141.6 9.6 -2.9 -1.6 56 56 A A E -A 7 0A 2 -49,-2.4 -49,-2.5 -2,-0.4 2,-0.4 -0.979 26.3-138.9-149.7 161.7 8.9 -4.7 1.7 57 57 A A E -A 6 0A 0 -19,-0.4 -20,-2.9 -2,-0.3 2,-0.4 -0.964 17.1-162.4-121.9 144.2 8.3 -4.0 5.3 58 58 A V E -AC 5 36A 0 -53,-2.4 -53,-2.7 -2,-0.4 2,-0.6 -0.988 13.8-147.1-128.7 131.0 9.7 -6.0 8.2 59 59 A A E -AC 4 35A 4 -24,-2.6 -25,-3.0 -2,-0.4 -24,-1.2 -0.897 25.5-174.0 -93.2 120.8 8.6 -6.2 11.9 60 60 A L E -AC 3 33A 0 -57,-3.1 -57,-3.1 -2,-0.6 2,-0.5 -0.973 17.6-147.5-121.3 119.8 11.8 -6.8 13.9 61 61 A E E +AC 2 32A 63 -29,-2.7 -29,-2.6 -2,-0.5 2,-0.3 -0.737 33.0 168.8 -81.7 130.3 11.8 -7.5 17.6 62 62 A T E - C 0 31A 1 -61,-2.8 -31,-0.2 -2,-0.5 -32,-0.1 -0.999 44.6-162.3-149.0 141.8 14.9 -6.0 19.2 63 63 A S + 0 0 89 -33,-2.5 -32,-0.1 -2,-0.3 2,-0.1 0.312 66.6 111.0 -99.1 6.0 16.5 -5.2 22.5 64 64 A L S S- 0 0 11 -34,-0.4 -2,-0.1 -35,-0.2 -34,-0.0 -0.434 77.1-108.3 -70.6 152.6 19.0 -2.9 20.8 65 65 A A >> - 0 0 45 -2,-0.1 4,-2.4 1,-0.1 3,-0.6 -0.471 37.9-104.7 -72.3 155.5 18.8 0.8 21.4 66 66 A P H 3> S+ 0 0 20 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.870 121.0 46.6 -53.7 -42.7 17.6 2.7 18.3 67 67 A E H 3> S+ 0 0 76 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.774 110.1 54.6 -75.3 -22.6 21.0 4.1 17.3 68 68 A E H <> S+ 0 0 92 -3,-0.6 4,-1.5 2,-0.2 -1,-0.2 0.901 109.0 47.7 -71.0 -42.2 22.5 0.6 17.8 69 69 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.915 108.9 55.1 -63.1 -40.5 19.9 -0.8 15.4 70 70 A L H X S+ 0 0 16 -4,-2.2 4,-2.5 1,-0.2 5,-0.3 0.871 101.6 57.6 -58.3 -39.2 20.8 2.0 13.0 71 71 A N H X S+ 0 0 78 -4,-1.6 4,-2.2 1,-0.2 -1,-0.2 0.936 110.7 44.3 -57.6 -41.5 24.4 1.0 13.1 72 72 A H H X S+ 0 0 39 -4,-1.5 4,-2.7 2,-0.2 -2,-0.2 0.912 112.2 48.5 -73.2 -44.1 23.4 -2.4 11.9 73 73 A T H X S+ 0 0 2 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.906 114.1 48.2 -63.8 -37.9 21.0 -1.3 9.2 74 74 A Q H X S+ 0 0 91 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.899 111.2 51.3 -65.7 -41.2 23.6 1.1 7.8 75 75 A R H X S+ 0 0 87 -4,-2.2 4,-2.8 -5,-0.3 -2,-0.2 0.916 110.6 47.3 -59.4 -46.4 26.2 -1.6 7.9 76 76 A I H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 5,-0.4 0.918 109.8 53.5 -65.6 -42.4 24.0 -4.1 6.0 77 77 A A H X S+ 0 0 24 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.917 113.5 43.6 -56.0 -45.8 23.1 -1.4 3.4 78 78 A L H <>S+ 0 0 110 -4,-2.1 5,-0.6 2,-0.2 6,-0.3 0.955 116.5 45.4 -62.5 -53.5 26.9 -0.8 2.9 79 79 A Q H <5S+ 0 0 122 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.822 122.8 33.9 -62.8 -37.0 27.8 -4.5 2.8 80 80 A Q H <5S+ 0 0 69 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.723 105.2 80.3 -95.7 -26.3 25.0 -5.7 0.5 81 81 A G T <5S- 0 0 13 -4,-1.8 2,-1.1 -5,-0.4 3,-0.4 -0.380 89.2-115.7 -74.4 159.1 24.7 -2.6 -1.7 82 82 A R T >5S+ 0 0 105 1,-0.2 4,-1.6 10,-0.2 -3,-0.1 -0.448 71.4 130.2 -90.5 59.4 27.2 -2.0 -4.5 83 83 A V T 4 -B 3 0A 3 3,-0.4 3,-2.4 -2,-0.3 -98,-0.2 -0.862 63.8 -63.6-139.5 104.3 10.8 2.1 16.8 102 102 A G T 3 S- 0 0 26 -100,-2.9 -1,-0.2 -2,-0.4 -98,-0.1 -0.347 101.7 -44.0 49.2-134.1 8.3 1.1 19.4 103 103 A N T 3 S+ 0 0 140 -3,-0.1 -1,-0.3 34,-0.1 2,-0.2 -0.022 103.8 135.7-106.8 24.6 6.2 4.3 20.2 104 104 A E < - 0 0 86 -3,-2.4 2,-0.5 1,-0.0 -3,-0.4 -0.456 44.9-155.2 -80.8 145.8 9.4 6.4 20.2 105 105 A V - 0 0 92 -2,-0.2 2,-0.5 33,-0.1 -2,-0.1 -0.989 18.4-175.5-114.3 120.2 9.8 9.8 18.6 106 106 A I E +F 113 0B 20 7,-2.9 7,-2.0 -2,-0.5 2,-0.4 -0.969 13.5 177.5-121.6 128.8 13.5 10.5 17.9 107 107 A N E +F 112 0B 129 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.758 29.7 132.4-131.3 85.6 14.7 13.7 16.5 108 108 A T - 0 0 57 3,-2.4 -2,-0.1 -2,-0.4 0, 0.0 -0.887 67.1-110.1-129.4 164.1 18.6 13.6 16.2 109 109 A E S S+ 0 0 208 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.895 121.5 40.4 -60.5 -36.5 21.0 14.6 13.4 110 110 A R S S+ 0 0 100 1,-0.2 2,-0.4 -3,-0.0 -1,-0.2 0.827 125.4 24.9 -79.9 -34.2 21.8 10.9 13.0 111 111 A L - 0 0 11 2,-0.0 -3,-2.4 4,-0.0 2,-0.5 -0.978 51.4-175.5-144.3 125.2 18.2 9.5 13.3 112 112 A T E -F 107 0B 62 -2,-0.4 4,-0.3 -5,-0.2 -5,-0.2 -0.981 24.7-147.6-119.0 120.8 14.7 10.7 12.8 113 113 A V E S+F 106 0B 1 -7,-2.0 -7,-2.9 -2,-0.5 2,-0.2 -0.997 82.6 45.3-133.8 133.6 11.9 8.3 13.8 114 114 A P S S- 0 0 29 0, 0.0 -14,-0.2 0, 0.0 -15,-0.1 0.557 114.6-101.1 -57.4 153.6 9.2 8.0 12.5 115 115 A H > - 0 0 23 -16,-1.9 3,-0.9 -2,-0.2 4,-0.4 -0.264 35.1-121.1 -49.3 133.6 11.0 8.2 9.2 116 116 A Y T 3 S+ 0 0 169 -4,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.746 102.1 25.4 -58.7 -31.0 10.4 11.7 8.0 117 117 A D T >> S+ 0 0 43 1,-0.1 3,-2.5 2,-0.1 4,-0.6 0.377 85.7 108.7-116.7 3.8 8.6 11.0 4.7 118 118 A M G X4 S+ 0 0 0 -3,-0.9 3,-1.3 1,-0.3 7,-0.4 0.829 73.0 61.2 -57.1 -34.6 7.0 7.6 5.4 119 119 A K G 34 S+ 0 0 35 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.663 108.4 46.2 -68.5 -10.9 3.5 9.0 5.6 120 120 A N G <4 S+ 0 0 89 -3,-2.5 2,-0.7 1,-0.1 -1,-0.3 0.465 95.8 84.2-103.6 -5.6 3.9 10.2 2.0 121 121 A R XX - 0 0 53 -3,-1.3 4,-2.5 -4,-0.6 3,-1.9 -0.865 53.2-171.1-106.9 104.5 5.4 6.9 0.6 122 122 A G H 3> S+ 0 0 7 -2,-0.7 4,-2.6 1,-0.3 -1,-0.2 0.818 87.4 64.8 -62.6 -31.8 2.8 4.3 -0.4 123 123 A F H 34 S+ 0 0 72 1,-0.2 -1,-0.3 2,-0.2 -83,-0.1 0.589 111.0 36.9 -68.0 -11.7 5.6 1.8 -0.9 124 124 A M H <> S+ 0 0 4 -3,-1.9 4,-1.7 -6,-0.3 -2,-0.2 0.757 119.7 46.2 -97.8 -45.1 6.3 2.1 2.8 125 125 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -7,-0.4 5,-0.2 0.874 108.1 52.3 -69.0 -41.0 2.7 2.4 4.1 126 126 A W H X S+ 0 0 91 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.963 113.0 43.5 -66.1 -48.5 1.0 -0.4 2.1 127 127 A P H > S+ 0 0 0 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.907 114.6 51.8 -61.2 -38.8 3.5 -3.1 3.1 128 128 A L H X S+ 0 0 0 -4,-1.7 4,-2.1 1,-0.2 3,-0.3 0.925 108.0 51.2 -60.7 -45.3 3.4 -1.8 6.7 129 129 A F H < S+ 0 0 70 -4,-2.7 -1,-0.2 1,-0.2 -3,-0.2 0.851 104.1 59.4 -60.4 -33.7 -0.4 -1.9 6.7 130 130 A E H < S+ 0 0 71 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 118.2 29.1 -61.0 -41.0 -0.2 -5.5 5.5 131 131 A I H < S+ 0 0 29 -4,-1.4 -2,-0.2 -3,-0.3 -1,-0.2 0.614 135.0 28.7 -96.8 -14.9 1.8 -6.6 8.6 132 132 A A >< + 0 0 11 -4,-2.1 3,-1.9 -5,-0.2 -1,-0.2 -0.445 61.8 162.1-144.7 66.8 0.4 -4.0 11.1 133 133 A P T 3 S+ 0 0 52 0, 0.0 11,-0.3 0, 0.0 -1,-0.1 0.758 78.8 50.4 -65.1 -24.2 -3.1 -3.1 10.2 134 134 A E T 3 S+ 0 0 129 9,-0.1 -5,-0.1 10,-0.1 -2,-0.0 0.225 81.5 143.5 -93.8 10.3 -3.9 -1.6 13.7 135 135 A L < - 0 0 19 -3,-1.9 8,-2.6 -7,-0.1 2,-0.4 -0.221 29.9-169.2 -59.4 136.4 -0.8 0.5 13.8 136 136 A V B -G 142 0C 68 6,-0.2 6,-0.2 7,-0.1 5,-0.1 -0.994 19.1-129.6-125.2 130.0 -1.0 3.9 15.4 137 137 A F > - 0 0 5 4,-3.0 3,-2.1 -2,-0.4 -34,-0.1 -0.281 29.7-103.2 -72.2 163.4 1.8 6.4 15.1 138 138 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.1 0, 0.0 -33,-0.1 0.843 122.5 57.3 -55.7 -35.5 3.4 8.1 18.1 139 139 A D T 3 S- 0 0 99 2,-0.1 -2,-0.0 1,-0.1 -34,-0.0 0.396 123.7-104.5 -77.5 -0.0 1.5 11.3 17.2 140 140 A G S < S+ 0 0 47 -3,-2.1 2,-0.1 1,-0.3 -1,-0.1 0.264 73.2 141.6 98.4 -12.8 -1.8 9.4 17.4 141 141 A E - 0 0 65 -5,-0.1 -4,-3.0 1,-0.1 2,-0.5 -0.411 49.3-129.6 -64.8 136.6 -2.5 9.1 13.7 142 142 A M B >> -G 136 0C 66 -6,-0.2 4,-1.9 1,-0.1 3,-1.3 -0.762 4.2-141.8 -92.0 126.7 -4.0 5.7 12.7 143 143 A L H 3> S+ 0 0 0 -8,-2.6 4,-1.7 -2,-0.5 -1,-0.1 0.864 102.6 58.6 -51.8 -39.8 -2.2 4.0 9.7 144 144 A R H 34 S+ 0 0 92 -9,-0.4 4,-0.4 -11,-0.3 -1,-0.3 0.732 107.0 46.8 -62.2 -31.4 -5.6 2.9 8.4 145 145 A Q H X> S+ 0 0 101 -3,-1.3 4,-1.3 2,-0.2 3,-0.7 0.868 105.7 57.2 -81.4 -39.5 -6.9 6.4 8.2 146 146 A I H 3X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.3 3,-0.3 0.890 106.4 51.5 -55.5 -39.6 -3.8 7.8 6.5 147 147 A L H 3< S+ 0 0 22 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.726 109.7 49.7 -72.6 -22.4 -4.3 5.3 3.7 148 148 A H H <4 S+ 0 0 167 -3,-0.7 -1,-0.2 -4,-0.4 -2,-0.2 0.678 120.3 35.3 -81.6 -23.0 -8.0 6.4 3.4 149 149 A T H < S+ 0 0 93 -4,-1.3 2,-0.3 -3,-0.3 -2,-0.2 0.643 101.5 73.9-113.6 -18.1 -7.0 10.1 3.1 150 150 A R S < S- 0 0 82 -4,-2.3 2,-0.5 -5,-0.2 -30,-0.0 -0.742 73.9-120.8-101.8 150.9 -3.7 10.4 1.2 151 151 A A + 0 0 101 -2,-0.3 2,-0.3 -3,-0.0 -29,-0.1 -0.748 37.5 172.2 -84.8 127.1 -3.0 10.1 -2.5 152 152 A F - 0 0 41 -2,-0.5 3,-0.1 -5,-0.1 -31,-0.1 -0.975 38.0 -99.4-132.6 151.1 -0.4 7.4 -3.4 153 153 A D - 0 0 147 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.348 55.6 -90.1 -59.2 145.2 0.8 5.8 -6.6 154 154 A K - 0 0 166 1,-0.1 2,-0.5 -32,-0.0 -1,-0.1 -0.362 46.1-156.3 -55.7 135.4 -0.9 2.5 -7.4 155 155 A L - 0 0 31 -3,-0.1 2,-0.2 -113,-0.1 -113,-0.1 -0.881 9.8-171.2-128.5 105.2 1.3 -0.3 -5.8 156 156 A N E -E 41 0A 112 -115,-0.6 -115,-2.9 -2,-0.5 2,-0.1 -0.502 31.8-100.8 -89.0 159.5 1.1 -3.8 -7.1 157 157 A K E E 40 0A 120 -117,-0.3 -117,-0.3 -2,-0.2 -1,-0.1 -0.478 360.0 360.0 -74.0 149.7 2.7 -6.8 -5.6 158 158 A W 0 0 102 -119,-2.8 -118,-0.2 -103,-0.2 -1,-0.1 0.824 360.0 360.0 -57.4 360.0 6.0 -7.9 -7.2