==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 11-AUG-09 2WPW . COMPND 2 MOLECULE: ORF14; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES CLAVULIGERUS; . AUTHOR A.IQBAL,H.ARUNLANANTHAM,M.A.MCDONOUGH,R.CHOWDHURY, . 1304 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 67347.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 915 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 2.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 312 23.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 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 . 4 0.3 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 . 1 0.1 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 . 88 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 327 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.2 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 3 0 5 8 0 0 0 0 0 5 7 4 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 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 . 0 4 0 1 10 9 4 4 4 4 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 0 0 0 0 0 0 0 0 4 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 T 0 0 199 0, 0.0 3,-0.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 -80.1 -43.4 14.9 56.4 2 5 A A + 0 0 96 1,-0.2 2,-0.4 2,-0.1 4,-0.1 0.120 360.0 60.4 -62.8 165.7 -46.3 12.8 55.0 3 6 A G S S+ 0 0 76 2,-0.4 -1,-0.2 1,-0.0 3,-0.0 -0.704 99.9 51.1 120.3 -76.2 -48.1 13.1 51.7 4 7 A E S S+ 0 0 111 -3,-0.5 60,-0.6 -2,-0.4 2,-0.4 0.964 107.3 45.8 -59.1 -58.4 -45.4 12.5 49.1 5 8 A L E -A 63 0A 38 -4,-0.3 2,-0.5 58,-0.1 -2,-0.4 -0.744 57.4-162.0-108.4 137.8 -43.8 9.2 50.4 6 9 A E E -A 62 0A 102 56,-2.7 56,-2.7 -2,-0.4 2,-0.6 -0.934 12.2-146.4-114.1 122.7 -45.1 5.9 51.6 7 10 A F E +A 61 0A 65 -2,-0.5 54,-0.2 54,-0.2 52,-0.0 -0.701 23.7 175.6 -85.5 120.1 -43.0 3.4 53.7 8 11 A V E -A 60 0A 22 52,-3.8 52,-3.7 -2,-0.6 -2,-0.0 -0.993 32.5-116.5-130.5 135.0 -43.9 -0.2 53.0 9 12 A P E -A 59 0A 73 0, 0.0 2,-0.7 0, 0.0 50,-0.3 -0.379 31.7-122.7 -63.2 138.9 -42.2 -3.4 54.4 10 13 A L - 0 0 13 48,-2.5 2,-0.4 61,-0.2 48,-0.3 -0.807 35.1-173.6 -91.6 114.8 -40.5 -5.4 51.6 11 14 A A > - 0 0 40 -2,-0.7 3,-1.7 3,-0.1 7,-0.3 -0.916 28.5-135.3-118.8 135.4 -42.0 -9.0 51.7 12 15 A A T 3 S+ 0 0 34 -2,-0.4 -1,-0.1 35,-0.3 36,-0.1 0.788 103.4 54.5 -59.6 -33.5 -40.9 -12.0 49.6 13 16 A N T 3 S+ 0 0 143 1,-0.1 2,-0.7 2,-0.0 -1,-0.3 0.098 83.3 94.7 -89.4 23.6 -44.5 -13.0 48.8 14 17 A D <> - 0 0 55 -3,-1.7 4,-2.5 1,-0.2 5,-0.3 -0.769 54.0-177.1-117.4 84.2 -45.5 -9.6 47.3 15 18 A D H > S+ 0 0 135 -2,-0.7 4,-2.1 1,-0.2 -1,-0.2 0.828 75.1 50.0 -51.6 -45.9 -44.8 -10.1 43.7 16 19 A E H > S+ 0 0 134 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.984 115.2 40.6 -63.4 -56.8 -45.6 -6.7 42.5 17 20 A T H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.936 115.6 52.2 -55.1 -50.6 -43.5 -4.7 45.0 18 21 A V H X S+ 0 0 9 -4,-2.5 4,-2.3 -7,-0.3 -1,-0.2 0.856 109.7 50.8 -49.0 -44.0 -40.6 -7.2 44.7 19 22 A G H X S+ 0 0 26 -4,-2.1 4,-2.2 -5,-0.3 -2,-0.2 0.929 109.9 47.7 -62.3 -48.7 -40.8 -6.8 40.9 20 23 A Q H X S+ 0 0 19 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.829 111.7 52.2 -66.0 -28.7 -40.6 -3.0 41.1 21 24 A W H X S+ 0 0 0 -4,-2.4 4,-2.1 -5,-0.2 -2,-0.2 0.905 107.4 50.1 -74.5 -40.1 -37.7 -3.4 43.5 22 25 A L H X S+ 0 0 18 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.892 113.3 48.9 -57.0 -40.3 -35.7 -5.7 41.2 23 26 A D H X S+ 0 0 103 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.954 106.4 53.5 -70.0 -49.8 -36.3 -3.1 38.4 24 27 A L H X S+ 0 0 7 -4,-2.5 4,-3.1 1,-0.2 5,-0.2 0.926 111.9 47.6 -42.6 -50.6 -35.2 -0.2 40.5 25 28 A X H X S+ 0 0 12 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.922 111.1 49.6 -62.5 -45.6 -32.0 -2.1 41.2 26 29 A A H X S+ 0 0 46 -4,-2.3 4,-0.8 2,-0.2 -1,-0.2 0.912 114.6 45.3 -56.9 -43.1 -31.5 -2.9 37.5 27 30 A L H >X S+ 0 0 72 -4,-3.1 3,-1.1 1,-0.2 4,-0.6 0.968 113.6 48.8 -68.4 -50.9 -32.1 0.8 36.6 28 31 A A H >< S+ 0 0 10 -4,-3.1 3,-1.3 1,-0.3 -1,-0.2 0.871 103.4 60.5 -53.6 -44.2 -29.8 2.1 39.4 29 32 A A H >< S+ 0 0 40 -4,-2.6 3,-1.6 1,-0.3 -1,-0.3 0.817 90.2 71.3 -61.6 -26.4 -26.9 -0.2 38.5 30 33 A E H << S+ 0 0 162 -3,-1.1 -1,-0.3 -4,-0.8 -2,-0.2 0.855 113.9 25.9 -60.7 -32.0 -26.8 1.3 34.9 31 34 A T T << S+ 0 0 94 -3,-1.3 -1,-0.3 -4,-0.6 -2,-0.2 0.025 109.8 92.1-118.5 27.7 -25.3 4.4 36.4 32 35 A G S < S- 0 0 37 -3,-1.6 3,-0.1 1,-0.3 -3,-0.1 -0.249 86.9 -52.6-101.2-165.0 -23.7 3.0 39.6 33 36 A P S S- 0 0 65 0, 0.0 2,-0.4 0, 0.0 -1,-0.3 -0.086 74.7 -77.4 -58.4 169.8 -20.2 1.7 40.4 34 37 A R S S+ 0 0 80 -3,-0.1 2,-0.3 3,-0.0 282,-0.1 -0.581 78.4 139.5 -66.7 125.9 -18.7 -1.0 38.1 35 38 A A - 0 0 53 -2,-0.4 -3,-0.1 -6,-0.1 0, 0.0 -0.992 63.8 -88.4-163.7 153.9 -20.4 -4.3 39.3 36 39 A A - 0 0 29 -2,-0.3 3,-0.1 1,-0.1 214,-0.0 -0.553 64.0-105.1 -58.2 140.0 -21.9 -7.5 38.1 37 40 A P - 0 0 60 0, 0.0 -11,-0.1 0, 0.0 -1,-0.1 -0.302 49.6 -78.8 -67.0 157.1 -25.6 -6.4 37.5 38 41 A P - 0 0 41 0, 0.0 2,-0.5 0, 0.0 212,-0.1 -0.311 42.2-137.5 -58.5 140.9 -28.1 -7.6 40.2 39 42 A C > - 0 0 8 1,-0.1 4,-2.2 210,-0.1 5,-0.1 -0.877 5.0-149.4 -96.1 128.3 -29.1 -11.2 39.8 40 43 A N H > S+ 0 0 84 -2,-0.5 4,-3.0 2,-0.2 5,-0.4 0.885 97.0 51.4 -71.5 -31.9 -32.8 -11.6 40.4 41 44 A V H > S+ 0 0 72 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.945 112.5 47.1 -64.5 -46.5 -32.5 -15.2 41.8 42 45 A D H > S+ 0 0 8 1,-0.2 4,-1.2 2,-0.2 -2,-0.2 0.891 116.9 44.5 -60.8 -37.2 -29.8 -13.9 44.2 43 46 A X H < S+ 0 0 31 -4,-2.2 4,-0.3 2,-0.2 -2,-0.2 0.887 114.1 43.7 -83.2 -43.6 -32.0 -10.9 45.2 44 47 A V H >< S+ 0 0 47 -4,-3.0 3,-1.1 1,-0.2 4,-0.2 0.857 115.0 55.5 -63.2 -32.2 -35.4 -12.5 45.6 45 48 A G H >X S+ 0 0 4 -4,-1.9 4,-2.6 -5,-0.4 3,-2.1 0.852 94.8 64.0 -67.4 -32.8 -33.4 -15.2 47.4 46 49 A S T 3< S+ 0 0 4 -4,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.639 100.2 56.2 -72.0 -7.7 -31.9 -12.6 49.8 47 50 A L T <4 S+ 0 0 27 -3,-1.1 -35,-0.3 -4,-0.3 -1,-0.3 0.507 114.2 35.9 -93.3 -13.1 -35.5 -12.1 51.0 48 51 A R T <4 S+ 0 0 178 -3,-2.1 2,-0.6 -4,-0.2 -2,-0.2 0.652 116.7 48.3-110.8 -29.7 -36.1 -15.8 51.9 49 52 A F < - 0 0 82 -4,-2.6 -1,-0.2 168,-0.1 172,-0.0 -0.922 68.2-171.3-120.2 104.6 -32.7 -16.9 53.2 50 53 A A - 0 0 45 -2,-0.6 3,-0.1 -3,-0.1 -3,-0.1 -0.630 34.4 -97.8 -87.9 152.9 -31.1 -14.6 55.9 51 54 A P > - 0 0 25 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 -0.290 60.3 -79.1 -58.4 161.1 -27.5 -15.1 57.1 52 55 A P T 3 S+ 0 0 3 0, 0.0 3,-0.1 0, 0.0 158,-0.0 -0.257 110.7 8.4 -66.9 149.0 -27.3 -16.9 60.5 53 56 A A T 3 S+ 0 0 49 1,-0.2 24,-2.7 23,-0.1 2,-0.3 0.867 107.2 112.7 51.7 45.4 -28.1 -15.2 63.8 54 57 A T E < - B 0 76A 24 -3,-0.6 2,-0.4 22,-0.3 -1,-0.2 -0.983 56.0-148.9-153.5 127.6 -29.2 -12.1 61.8 55 58 A A E - B 0 75A 49 20,-2.3 20,-3.4 -2,-0.3 2,-0.5 -0.871 15.1-144.0-102.4 136.6 -32.6 -10.4 61.4 56 59 A L E - B 0 74A 53 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.866 11.0-169.6-101.2 128.6 -33.4 -8.6 58.2 57 60 A D E - B 0 73A 31 16,-3.7 16,-1.9 -2,-0.5 2,-0.4 -0.828 17.5-178.6-117.3 95.9 -35.4 -5.5 58.2 58 61 A D E + B 0 72A 18 -2,-0.6 -48,-2.5 -48,-0.3 2,-0.3 -0.771 3.3 174.9-104.4 137.8 -36.3 -4.6 54.6 59 62 A W E -AB 9 71A 44 12,-3.4 12,-2.7 -2,-0.4 2,-0.4 -0.969 18.2-159.4-139.4 152.1 -38.3 -1.7 53.3 60 63 A V E -AB 8 70A 0 -52,-3.7 -52,-3.8 -2,-0.3 2,-0.4 -0.947 13.0-149.0-123.7 147.8 -39.5 0.0 50.2 61 64 A V E -AB 7 69A 0 8,-2.7 7,-2.3 -2,-0.4 8,-1.9 -0.961 16.7-155.8-116.6 138.2 -40.6 3.6 49.9 62 65 A R E -AB 6 67A 38 -56,-2.7 -56,-2.7 -2,-0.4 2,-0.5 -0.929 18.2-167.6-122.8 140.4 -43.2 4.7 47.3 63 66 A S E > S-AB 5 66A 39 3,-2.0 3,-1.6 -2,-0.4 -58,-0.1 -0.985 87.2 -8.1-113.8 123.7 -44.3 7.8 45.5 64 67 A G T 3 S- 0 0 81 -60,-0.6 -1,-0.1 -2,-0.5 3,-0.1 0.763 130.1 -55.3 64.7 28.8 -47.6 7.5 43.7 65 68 A G T 3 S+ 0 0 44 1,-0.3 2,-0.4 -59,-0.0 -1,-0.3 0.479 117.7 106.0 83.3 -0.1 -48.0 3.8 44.4 66 69 A R E < S-B 63 0A 155 -3,-1.6 -3,-2.0 -46,-0.0 2,-0.4 -0.903 78.8-104.1-117.5 147.1 -44.6 3.0 42.8 67 70 A V E +B 62 0A 9 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.516 42.4 162.0 -65.8 119.5 -41.3 2.1 44.3 68 71 A V E + 0 0 4 -7,-2.3 22,-3.2 -2,-0.4 2,-0.3 0.461 64.9 3.5-113.3 -14.1 -39.0 5.0 44.2 69 72 A G E -BC 61 89A 0 -8,-1.9 -8,-2.7 20,-0.2 2,-0.3 -0.998 55.8-143.2-164.1 177.7 -36.6 3.7 46.8 70 73 A A E -BC 60 88A 0 18,-2.2 18,-2.3 -2,-0.3 2,-0.4 -0.996 3.8-170.3-149.7 146.0 -35.4 0.9 49.2 71 74 A L E -BC 59 87A 0 -12,-2.7 -12,-3.4 -2,-0.3 2,-0.4 -0.992 8.7-179.4-135.3 123.7 -33.8 0.4 52.7 72 75 A R E -BC 58 86A 25 14,-2.4 13,-2.0 -2,-0.4 14,-1.6 -0.988 4.9-170.9-123.7 129.9 -32.5 -2.9 54.0 73 76 A L E -BC 57 84A 0 -16,-1.9 -16,-3.7 -2,-0.4 2,-0.5 -0.951 11.3-153.1-118.8 142.1 -31.0 -3.3 57.4 74 77 A A E -BC 56 83A 0 9,-2.4 9,-2.9 -2,-0.4 -18,-0.2 -0.973 9.6-163.3-107.8 126.1 -29.2 -6.4 58.8 75 78 A L E -B 55 0A 7 -20,-3.4 -20,-2.3 -2,-0.5 7,-0.1 -0.886 9.3-149.6-113.0 98.7 -29.4 -6.7 62.6 76 79 A P E -B 54 0A 30 0, 0.0 3,-0.3 0, 0.0 -22,-0.3 -0.430 30.4-102.9 -69.4 136.6 -26.8 -9.2 64.0 77 80 A D S S+ 0 0 107 -24,-2.7 2,-1.3 1,-0.2 -23,-0.0 -0.302 100.2 4.9 -58.6 145.4 -27.9 -11.0 67.2 78 81 A G S S+ 0 0 85 1,-0.2 -1,-0.2 -3,-0.1 -25,-0.0 -0.243 103.3 112.2 78.4 -45.1 -26.4 -9.6 70.4 79 82 A A - 0 0 33 -2,-1.3 -1,-0.2 -3,-0.3 0, 0.0 -0.051 66.0-135.4 -67.6 159.5 -24.6 -6.7 68.7 80 83 A P S S+ 0 0 76 0, 0.0 36,-1.7 0, 0.0 37,-1.4 0.181 75.3 84.5-100.8 16.7 -25.5 -3.0 69.2 81 84 A T E - d 0 117A 33 34,-0.2 2,-0.4 35,-0.2 37,-0.2 -0.708 61.7-146.9-116.8 169.8 -25.3 -2.0 65.6 82 85 A A E - d 0 118A 0 35,-1.5 37,-1.8 -2,-0.2 2,-0.5 -0.989 21.4-142.3-132.6 118.7 -27.6 -2.1 62.6 83 86 A R E -Cd 74 119A 89 -9,-2.9 -9,-2.4 -2,-0.4 2,-1.1 -0.735 7.6-138.4 -90.3 129.6 -25.9 -2.6 59.3 84 87 A V E +Cd 73 120A 17 35,-3.6 37,-0.5 -2,-0.5 -11,-0.2 -0.699 27.6 171.7 -86.1 101.4 -27.2 -0.7 56.4 85 88 A D E + 0 0 86 -13,-2.0 2,-0.3 -2,-1.1 -1,-0.2 0.735 67.9 12.4 -86.3 -19.5 -27.2 -3.2 53.5 86 89 A Q E +C 72 0A 32 -14,-1.6 -14,-2.4 -3,-0.1 -1,-0.3 -0.922 48.6 163.5-158.2 132.6 -29.1 -1.0 51.1 87 90 A L E +C 71 0A 48 -2,-0.3 2,-0.4 -16,-0.2 -16,-0.2 -0.776 30.1 162.9-144.6 97.1 -30.1 2.6 50.9 88 91 A L E -C 70 0A 34 -18,-2.3 -18,-2.2 -2,-0.3 2,-0.4 -0.957 24.0-163.3-133.4 130.0 -31.1 3.3 47.3 89 92 A V E -C 69 0A 18 -2,-0.4 -20,-0.2 -20,-0.2 5,-0.1 -0.926 40.3 -97.5-115.3 134.2 -33.1 6.0 45.5 90 93 A H > - 0 0 38 -22,-3.2 3,-2.6 -2,-0.4 4,-0.1 -0.308 37.8-126.5 -44.4 125.4 -34.5 5.8 41.9 91 94 A P T 3 S+ 0 0 39 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.630 107.6 53.3 -62.3 -11.3 -31.8 7.6 39.8 92 95 A G T 3 S+ 0 0 45 1,-0.2 -2,-0.1 -24,-0.1 -24,-0.0 0.337 109.3 48.3-102.0 7.6 -34.5 9.9 38.2 93 96 A R S < S+ 0 0 99 -3,-2.6 3,-0.4 -25,-0.1 5,-0.3 0.123 81.5 128.5-131.1 25.2 -35.8 11.0 41.6 94 97 A R + 0 0 99 -3,-0.3 -4,-0.0 1,-0.2 0, 0.0 -0.269 58.1 35.8 -77.9 163.0 -32.6 11.9 43.4 95 98 A R S S+ 0 0 249 1,-0.1 -1,-0.2 -2,-0.0 0, 0.0 0.841 87.3 100.3 67.2 30.7 -32.0 15.2 45.2 96 99 A R S S- 0 0 150 -3,-0.4 -2,-0.1 0, 0.0 -1,-0.1 0.380 103.1 -91.9-120.9 -2.4 -35.6 15.5 46.4 97 100 A G S > S+ 0 0 36 3,-0.0 4,-1.9 4,-0.0 5,-0.1 0.413 91.2 119.0 109.9 0.1 -35.2 14.3 50.0 98 101 A I H > S+ 0 0 4 -5,-0.3 4,-2.7 2,-0.2 3,-0.5 0.980 77.6 47.6 -66.5 -53.1 -35.9 10.7 49.6 99 102 A G H > S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.915 111.0 53.0 -52.4 -44.4 -32.6 9.4 50.7 100 103 A R H > S+ 0 0 154 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.907 110.1 48.1 -56.9 -38.2 -32.8 11.8 53.7 101 104 A A H X S+ 0 0 29 -4,-1.9 4,-1.7 -3,-0.5 -2,-0.2 0.895 110.1 51.2 -76.3 -38.0 -36.2 10.2 54.5 102 105 A L H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.899 109.5 51.8 -60.7 -39.6 -34.9 6.7 54.2 103 106 A W H X S+ 0 0 22 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.854 106.0 51.7 -73.3 -34.4 -32.0 7.6 56.5 104 107 A A H X S+ 0 0 52 -4,-1.9 4,-2.1 -5,-0.2 -1,-0.2 0.886 110.9 51.6 -62.8 -34.7 -34.4 8.9 59.2 105 108 A H H X S+ 0 0 25 -4,-1.7 4,-2.7 1,-0.2 -2,-0.2 0.931 105.3 53.7 -67.5 -47.1 -36.2 5.6 58.8 106 109 A A H X S+ 0 0 0 -4,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.919 111.0 46.5 -50.2 -49.4 -33.0 3.6 59.3 107 110 A R H X S+ 0 0 72 -4,-1.9 4,-3.0 2,-0.2 5,-0.2 0.918 110.4 52.3 -66.5 -38.4 -32.3 5.5 62.6 108 111 A E H X S+ 0 0 118 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.910 112.7 45.3 -64.0 -38.9 -35.8 5.0 63.8 109 112 A L H X S+ 0 0 9 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.933 112.0 51.4 -68.8 -44.5 -35.5 1.3 63.2 110 113 A A H <>S+ 0 0 0 -4,-2.9 5,-2.8 1,-0.2 -2,-0.2 0.961 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-0.927 35.8-166.6-108.8 139.4 17.4 -10.1 -5.5 1098 119 D T + 0 0 91 -36,-1.5 209,-3.0 -2,-0.4 210,-0.5 0.688 68.7 36.9 -94.7 -20.3 19.6 -13.0 -6.2 1099 120 D T E -nO10631306D 42 -37,-1.5 -35,-1.5 207,-0.3 2,-0.4 -0.947 58.8-148.6-135.5 151.8 21.5 -13.3 -2.8 1100 121 D L E -nO10641305D 2 205,-2.7 205,-2.1 -2,-0.3 2,-0.3 -0.951 17.9-165.0-114.3 141.7 20.9 -12.8 0.9 1101 122 D T E +nO10651304D 44 -37,-1.5 -35,-3.1 -2,-0.4 2,-0.3 -0.889 10.0 173.3-124.8 155.7 23.7 -11.6 3.1 1102 123 D A E -nO10661303D 25 201,-1.8 201,-3.1 -2,-0.3 2,-0.5 -0.993 29.2-122.5-159.7 155.4 24.0 -11.6 7.0 1103 124 D T E - O 01302D 73 -37,-0.5 2,-0.5 -2,-0.3 199,-0.2 -0.918 28.0-165.6-109.4 129.9 26.4 -11.0 9.8 1104 125 D V E - O 01301D 14 197,-3.2 197,-3.1 -2,-0.5 2,-0.5 -0.932 18.4-129.7-125.3 129.7 27.1 -13.8 12.2 1105 126 D V E + O 01300D 31 -2,-0.5 14,-0.3 195,-0.2 2,-0.3 -0.616 42.1 157.1 -81.4 123.6 28.7 -13.6 15.5 1106 127 D E E - O 01299D 32 193,-2.6 193,-3.2 -2,-0.5 9,-0.1 -0.838 40.1 -76.9-139.9 173.3 31.5 -16.2 15.9 1107 128 D S - 0 0 49 -2,-0.3 191,-0.1 7,-0.2 6,-0.1 -0.333 28.6-138.2 -78.5 153.4 34.6 -16.7 17.9 1108 129 D L - 0 0 12 189,-0.4 -1,-0.0 4,-0.3 28,-0.0 -0.953 24.7-122.4-108.1 124.8 38.0 -15.1 17.5 1109 130 D P S S+ 0 0 136 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.812 112.7 37.4 -29.1 -51.4 41.0 -17.4 17.9 1110 131 D S S S+ 0 0 94 2,-0.1 3,-0.1 -3,-0.1 187,-0.1 0.958 110.3 57.2 -63.0 -87.6 42.2 -15.1 20.7 1111 132 D G S S- 0 0 22 1,-0.1 186,-0.1 185,-0.1 -3,-0.1 0.407 98.6 -53.3 -49.1 178.2 39.0 -14.0 22.7 1112 133 D P - 0 0 56 0, 0.0 -4,-0.3 0, 0.0 -1,-0.1 -0.192 61.6 -92.4 -65.5 140.3 36.3 -16.1 24.4 1113 134 D A - 0 0 96 -6,-0.1 2,-0.3 -3,-0.1 -7,-0.0 -0.110 42.5-147.5 -48.4 137.7 34.3 -18.9 22.8 1114 135 D Q - 0 0 28 1,-0.1 -7,-0.2 -99,-0.0 -1,-0.1 -0.823 30.9 -84.6-112.4 150.6 30.9 -17.8 21.2 1115 136 D D - 0 0 102 -2,-0.3 4,-0.4 1,-0.2 -1,-0.1 -0.248 35.5-156.3 -46.7 121.7 27.6 -19.7 20.9 1116 137 D P S > S+ 0 0 99 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.590 70.9 93.8 -83.6 -1.5 28.1 -21.7 17.7 1117 138 D G H > S+ 0 0 34 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.921 80.2 51.2 -53.5 -55.4 24.2 -21.9 17.2 1118 139 D P H > S+ 0 0 62 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.915 112.5 47.5 -52.1 -44.0 23.9 -19.0 14.9 1119 140 D A H > S+ 0 0 14 -4,-0.4 4,-3.0 -14,-0.3 5,-0.2 0.935 111.9 49.1 -62.2 -44.7 26.6 -20.3 12.6 1120 141 D A H X S+ 0 0 61 -4,-2.2 4,-2.6 1,-0.2 -1,-0.2 0.921 111.2 50.0 -64.3 -44.9 25.2 -23.8 12.6 1121 142 D F H X S+ 0 0 66 -4,-3.2 4,-1.5 2,-0.2 -1,-0.2 0.909 110.5 51.6 -50.2 -48.2 21.7 -22.4 11.7 1122 143 D A H ><>S+ 0 0 12 -4,-2.3 5,-2.4 -5,-0.3 3,-0.6 0.944 112.5 44.5 -61.8 -50.2 23.4 -20.4 8.9 1123 144 D A H ><5S+ 0 0 57 -4,-3.0 3,-1.7 1,-0.2 -1,-0.2 0.888 110.7 54.8 -56.7 -40.9 25.1 -23.4 7.5 1124 145 D A H 3<5S+ 0 0 64 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.730 102.7 55.2 -75.5 -16.6 21.9 -25.5 7.8 1125 146 D X T <<5S- 0 0 26 -4,-1.5 -1,-0.3 -3,-0.6 -2,-0.2 0.360 125.2-107.3 -92.2 7.2 19.9 -23.0 5.8 1126 147 D G T < 5S+ 0 0 41 -3,-1.7 180,-0.3 1,-0.3 -3,-0.2 0.743 72.2 144.3 76.8 23.9 22.6 -23.5 3.2 1127 148 D A < - 0 0 8 -5,-2.4 2,-0.3 -6,-0.2 -1,-0.3 -0.539 33.2-152.7 -81.7 161.4 24.4 -20.3 3.6 1128 149 D H E -P 1304 0D 126 176,-2.6 176,-2.3 -2,-0.2 2,-0.2 -0.972 24.4 -97.9-132.5 153.6 28.2 -20.0 3.3 1129 150 D R E -P 1303 0D 128 -2,-0.3 174,-0.3 174,-0.2 172,-0.0 -0.500 45.9-130.9 -66.8 131.8 30.9 -17.8 4.7 1130 151 D S - 0 0 33 172,-3.1 172,-0.1 -2,-0.2 -1,-0.1 -0.208 16.0-111.3 -84.9 174.2 31.8 -15.1 2.2 1131 152 D D S S+ 0 0 166 2,-0.1 -1,-0.1 172,-0.0 172,-0.1 0.391 81.9 112.6 -87.4 8.4 35.2 -14.1 1.0 1132 153 D I S S- 0 0 102 170,-0.2 170,-0.3 1,-0.1 2,-0.2 -0.536 80.4-106.7 -73.0 139.4 34.9 -10.7 2.7 1133 154 D P - 0 0 48 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.480 42.5-120.2 -68.6 139.7 37.3 -10.2 5.6 1134 155 D A - 0 0 1 -2,-0.2 146,-3.0 145,-0.1 2,-0.4 -0.081 25.0 -96.9 -76.8 176.5 35.3 -10.4 8.9 1135 156 D G E -QR12791300D 7 165,-1.9 165,-3.2 144,-0.2 2,-0.8 -0.820 20.6-143.9 -98.7 134.6 35.0 -7.7 11.5 1136 157 D T E -QR12781299D 12 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57.1-156.8-142.5 136.6 42.1 1.2 31.3 1146 167 D D > - 0 0 83 -2,-0.3 3,-2.0 1,-0.1 4,-0.2 -0.828 8.5-179.4-116.1 99.6 42.5 5.0 31.0 1147 168 D P T 3 S+ 0 0 19 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.758 88.1 56.8 -65.2 -20.8 43.6 6.1 27.5 1148 169 D L T > S+ 0 0 26 1,-0.2 3,-2.3 -3,-0.1 4,-0.1 0.175 70.7 114.9 -93.6 14.0 43.5 9.7 28.8 1149 170 D A T < S+ 0 0 71 -3,-2.0 -1,-0.2 1,-0.3 3,-0.1 0.910 87.1 35.3 -57.9 -45.4 45.9 8.9 31.7 1150 171 D D T 3 S- 0 0 169 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.302 119.8-122.5 -85.3 9.2 48.6 11.3 30.2 1151 172 D G < - 0 0 29 -3,-2.3 -1,-0.3 2,-0.0 -2,-0.1 -0.302 53.1 -28.9 81.2-168.8 45.8 13.6 29.0 1152 173 D V S S- 0 0 48 -3,-0.1 3,-0.1 -4,-0.1 103,-0.1 -0.724 73.0-114.2 -83.7 131.4 45.2 14.7 25.5 1153 174 D P - 0 0 56 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.106 39.9 -88.2 -59.9 162.1 48.4 14.8 23.3 1154 175 D A - 0 0 95 1,-0.1 101,-0.1 0, 0.0 0, 0.0 -0.512 40.7-112.9 -74.8 136.1 49.6 18.2 22.0 1155 176 D V - 0 0 63 -2,-0.2 3,-0.1 -3,-0.1 -1,-0.1 -0.535 38.0-115.1 -62.4 128.5 48.3 19.4 18.7 1156 177 D P > - 0 0 31 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.288 42.2 -79.3 -69.3 147.9 51.1 19.4 16.2 1157 178 D A T 3 S+ 0 0 99 1,-0.2 3,-0.1 3,-0.0 0, 0.0 -0.063 115.8 25.9 -42.6 137.2 52.3 22.8 14.7 1158 179 D G T 3 S+ 0 0 40 1,-0.2 57,-2.2 -3,-0.1 58,-0.4 0.348 104.8 95.9 85.8 -5.5 50.1 24.2 11.9 1159 180 D Y E < -S 1214 0D 22 -3,-1.7 2,-0.3 55,-0.2 -1,-0.2 -0.832 47.9-168.8-119.1 157.1 46.8 22.4 13.0 1160 181 D S E -S 1213 0D 48 53,-1.9 53,-2.5 -2,-0.3 2,-0.4 -0.939 20.7-121.9-132.3 164.1 43.8 23.3 15.1 1161 182 D L E +S 1212 0D 63 -2,-0.3 2,-0.3 51,-0.2 51,-0.2 -0.843 26.0 178.4-107.1 143.1 40.9 21.2 16.6 1162 183 D V E -S 1211 0D 36 49,-2.6 49,-3.2 -2,-0.4 2,-0.3 -0.941 7.7-159.9-131.6 161.7 37.2 21.8 16.0 1163 184 D T E +S 1210 0D 76 -2,-0.3 2,-0.3 47,-0.3 47,-0.2 -0.933 11.3 170.5-137.5 160.4 34.1 19.9 17.2 1164 185 D W E -S 1209 0D 15 45,-1.4 45,-2.1 -2,-0.3 4,-0.1 -0.971 20.4-131.4-159.5 167.1 30.5 19.4 16.2 1165 186 D G - 0 0 28 2,-0.3 -1,-0.1 -2,-0.3 43,-0.1 0.424 66.3 -33.5 -97.5-130.8 27.5 17.3 17.2 1166 187 D T S S+ 0 0 51 41,-0.1 2,-0.5 1,-0.1 35,-0.1 0.711 120.0 64.1 -69.5 -22.1 24.9 15.3 15.2 1167 188 D I S S- 0 0 85 40,-0.1 -2,-0.3 31,-0.0 -1,-0.1 -0.923 81.3-128.3-113.5 126.9 24.9 17.7 12.2 1168 189 D T - 0 0 16 -2,-0.5 5,-0.1 -4,-0.1 2,-0.1 -0.446 34.6-114.1 -64.2 128.8 27.9 18.3 10.0 1169 190 D P >> - 0 0 42 0, 0.0 3,-1.9 0, 0.0 4,-1.0 -0.379 25.2-112.8 -64.1 144.4 28.5 22.1 9.7 1170 191 D D H >> S+ 0 0 152 1,-0.3 3,-0.8 2,-0.2 4,-0.6 0.854 114.8 56.1 -47.6 -42.5 27.9 23.5 6.2 1171 192 D E H 34 S+ 0 0 137 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.756 112.7 40.0 -72.1 -15.5 31.6 24.3 5.7 1172 193 D Y H <> S+ 0 0 25 -3,-1.9 4,-3.8 2,-0.1 5,-0.3 0.485 90.4 88.5-103.2 -6.7 32.8 20.7 6.4 1173 194 D A H S+ 0 0 40 0, 0.0 4,-1.3 0, 0.0 3,-0.4 0.914 111.0 51.8 -52.2 -48.4 35.3 18.2 2.8 1176 197 D V H < S+ 0 0 23 -4,-3.8 3,-0.2 1,-0.2 -2,-0.2 0.887 110.0 50.1 -52.1 -44.4 33.9 15.3 5.0 1177 198 D S H < S+ 0 0 22 -4,-1.6 -1,-0.2 -5,-0.3 -3,-0.1 0.804 115.5 40.3 -70.1 -30.9 32.4 13.6 1.9 1178 199 D E H < S+ 0 0 78 -4,-1.6 2,-3.1 -3,-0.4 3,-0.4 0.555 85.8 103.7 -93.1 -8.0 35.6 13.8 -0.2 1179 200 D L S < S+ 0 0 7 -4,-1.3 -1,-0.1 1,-0.3 -3,-0.1 -0.332 91.0 30.0 -72.6 58.0 37.8 12.9 2.8 1180 201 D E 0 0 142 -2,-3.1 -1,-0.3 1,-0.1 64,-0.0 0.242 360.0 360.0 152.0 67.8 38.2 9.4 1.5 1181 202 D L 0 0 130 -3,-0.4 -1,-0.1 0, 0.0 -4,-0.0 -0.489 360.0 360.0 177.6 360.0 38.1 9.6 -2.3 1182 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1183 211 D R > 0 0 243 0, 0.0 3,-1.0 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 171.9 31.0 19.2 -10.3 1184 212 D A T > + 0 0 84 1,-0.3 3,-1.2 2,-0.1 4,-0.3 0.386 360.0 95.7 -70.8 6.7 27.5 19.7 -8.7 1185 213 D A T 3> + 0 0 29 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.454 64.5 83.0 -65.6 -2.0 27.4 15.9 -8.0 1186 214 D Q H <> S+ 0 0 60 -3,-1.0 4,-2.8 1,-0.2 -1,-0.2 0.823 81.2 60.8 -71.8 -30.9 28.7 17.1 -4.5 1187 215 D E H <> S+ 0 0 119 -3,-1.2 4,-1.9 1,-0.2 -1,-0.2 0.763 100.3 54.5 -66.2 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