==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-MAR-07 2PBE . COMPND 2 MOLECULE: AMINOGLYCOSIDE 6-ADENYLYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR R.TYAGI,S.ESWARAMOORTHY,S.K.BURLEY,S.SWAMINATHAN,NEW YORK . 263 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14506.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 11.8 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 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 107 40.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.5 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 1 1 0 1 0 1 0 0 0 2 0 0 1 0 0 0 0 0 1 0 0 1 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 2 1 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 L 0 0 168 0, 0.0 86,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -65.1 32.9 48.0 24.3 2 2 A R - 0 0 52 4,-0.1 5,-0.0 84,-0.0 0, 0.0 0.930 360.0-128.8 42.6 99.5 30.7 44.9 24.8 3 3 A S > - 0 0 33 1,-0.1 4,-2.5 4,-0.0 5,-0.2 -0.105 25.3-103.3 -64.8 165.9 27.6 45.0 22.6 4 4 A E H > S+ 0 0 129 1,-0.2 4,-1.5 2,-0.2 -1,-0.1 0.743 125.9 55.3 -63.5 -20.8 24.1 44.5 24.0 5 5 A Q H > S+ 0 0 57 2,-0.2 4,-2.2 3,-0.1 -1,-0.2 0.967 107.8 44.5 -74.7 -55.4 24.4 41.1 22.4 6 6 A E H > S+ 0 0 93 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.852 113.6 51.8 -57.2 -39.4 27.6 40.1 24.2 7 7 A X H X S+ 0 0 1 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.940 109.9 47.1 -64.8 -49.8 26.3 41.4 27.5 8 8 A X H X S+ 0 0 10 -4,-1.5 4,-2.7 1,-0.2 5,-0.3 0.863 108.1 57.4 -60.1 -38.4 23.1 39.5 27.3 9 9 A D H X S+ 0 0 29 -4,-2.2 4,-3.7 1,-0.2 5,-0.3 0.962 105.8 50.2 -56.6 -52.7 25.0 36.3 26.3 10 10 A I H X S+ 0 0 44 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.919 113.8 43.4 -52.5 -51.1 27.0 36.6 29.5 11 11 A F H X S+ 0 0 2 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.906 118.2 44.0 -64.3 -42.8 24.0 36.9 31.8 12 12 A L H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.927 114.8 49.8 -67.1 -44.6 22.0 34.2 30.1 13 13 A D H X S+ 0 0 58 -4,-3.7 4,-1.5 -5,-0.3 -2,-0.2 0.884 108.9 53.0 -62.3 -39.0 25.0 31.9 29.9 14 14 A F H X S+ 0 0 21 -4,-2.5 4,-1.4 -5,-0.3 3,-0.5 0.970 110.3 45.9 -60.2 -54.6 25.7 32.4 33.5 15 15 A A H >< S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 6,-0.2 0.896 107.0 59.7 -54.9 -46.4 22.2 31.5 34.6 16 16 A L H 3< S+ 0 0 31 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.852 111.6 38.8 -51.5 -43.2 22.1 28.4 32.3 17 17 A N H 3< S+ 0 0 123 -4,-1.5 2,-0.7 -3,-0.5 -1,-0.2 0.648 97.3 89.6 -87.4 -15.4 25.1 26.9 34.0 18 18 A D X< - 0 0 25 -4,-1.4 3,-0.8 -3,-0.5 -1,-0.0 -0.755 60.2-158.2 -92.4 118.6 24.3 27.8 37.6 19 19 A E T 3 S+ 0 0 163 -2,-0.7 -1,-0.1 1,-0.2 -4,-0.0 0.661 90.6 58.6 -64.3 -21.2 22.2 25.3 39.4 20 20 A R T 3 S+ 0 0 58 18,-0.1 19,-1.4 19,-0.1 2,-0.7 0.783 89.6 83.5 -80.7 -25.8 20.9 27.8 42.0 21 21 A I E < +A 38 0A 0 -3,-0.8 17,-0.2 -6,-0.2 3,-0.1 -0.696 45.7 158.2 -84.3 116.3 19.4 30.0 39.3 22 22 A R E + 0 0 45 15,-2.7 90,-2.9 -2,-0.7 91,-0.4 0.722 63.1 27.4-105.2 -32.0 16.0 28.7 38.3 23 23 A L E -AB 37 111A 3 14,-1.6 14,-3.1 88,-0.2 2,-0.4 -0.979 60.1-163.9-137.2 145.7 14.4 31.8 36.7 24 24 A V E -AB 36 110A 2 86,-2.3 85,-3.3 -2,-0.3 86,-1.2 -0.997 10.1-178.9-133.8 132.3 15.7 34.9 34.9 25 25 A T E -AB 35 108A 7 10,-2.5 10,-2.1 -2,-0.4 2,-0.4 -0.922 13.9-144.6-130.5 153.2 13.9 38.1 34.1 26 26 A L E A 34 0A 37 81,-1.7 8,-0.2 -2,-0.3 6,-0.0 -0.945 360.0 360.0-122.3 142.8 14.7 41.4 32.4 27 27 A E 0 0 178 6,-2.6 -2,-0.1 -2,-0.4 5,-0.0 -0.397 360.0 360.0 56.9 360.0 13.6 45.0 33.1 28 ! 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 29 40 A F 0 0 243 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 150.3 19.5 54.0 28.4 30 41 A Q + 0 0 100 2,-0.1 58,-0.0 0, 0.0 57,-0.0 0.568 360.0 129.6 -87.7 -6.1 21.7 51.0 27.7 31 42 A D - 0 0 60 1,-0.1 2,-0.5 56,-0.1 58,-0.2 -0.013 57.1-123.9 -47.3 145.0 21.8 49.9 31.4 32 43 A Y E - c 0 89A 20 56,-3.0 58,-2.6 -6,-0.0 2,-0.7 -0.838 19.0-166.5-104.6 128.6 21.0 46.2 32.1 33 44 A D E + c 0 90A 71 -2,-0.5 -6,-2.6 56,-0.2 2,-0.3 -0.899 21.3 167.0-114.1 99.3 18.2 45.2 34.5 34 45 A I E -Ac 26 91A 1 56,-2.4 58,-2.3 -2,-0.7 2,-0.4 -0.880 18.7-167.5-117.4 147.2 18.5 41.6 35.3 35 46 A S E -Ac 25 92A 12 -10,-2.1 -10,-2.5 -2,-0.3 2,-0.5 -0.991 3.6-163.8-135.3 125.5 16.8 39.4 38.0 36 47 A Y E -Ac 24 93A 0 56,-2.7 58,-1.6 -2,-0.4 2,-0.7 -0.942 10.4-150.8-109.6 120.7 17.9 35.9 38.9 37 48 A F E -Ac 23 94A 0 -14,-3.1 -15,-2.7 -2,-0.5 -14,-1.6 -0.838 31.3-177.7 -91.2 118.4 15.4 33.8 41.0 38 49 A V E -Ac 21 95A 0 56,-2.1 58,-3.3 -2,-0.7 59,-0.3 -0.695 39.7-133.5-119.0 168.5 17.5 31.5 43.0 39 50 A T S S+ 0 0 83 -19,-1.4 2,-0.6 1,-0.2 58,-0.2 0.943 99.8 30.0 -82.3 -51.9 17.3 28.7 45.5 40 51 A D > + 0 0 76 1,-0.2 4,-0.9 55,-0.1 3,-0.5 -0.845 58.6 176.7-115.5 97.2 19.9 29.9 48.0 41 52 A V H >> S+ 0 0 25 -2,-0.6 4,-1.2 1,-0.2 3,-0.9 0.932 84.0 55.4 -63.4 -44.5 20.2 33.6 48.2 42 53 A E H 3> S+ 0 0 106 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.769 96.2 68.7 -58.0 -28.6 22.8 33.4 51.1 43 54 A S H >4 S+ 0 0 27 -3,-0.5 3,-1.1 1,-0.2 4,-0.3 0.912 101.2 44.9 -57.1 -45.5 25.0 31.2 48.9 44 55 A F H X< S+ 0 0 0 -4,-0.9 3,-0.7 -3,-0.9 -1,-0.2 0.836 106.7 62.2 -68.8 -31.5 25.7 34.0 46.6 45 56 A K H 3< S+ 0 0 73 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.543 73.2 94.0 -72.9 -9.0 26.4 36.3 49.6 46 57 A E T << S- 0 0 151 -3,-1.1 2,-0.3 -4,-0.5 -1,-0.2 0.929 107.2 -41.7 -48.2 -49.8 29.3 34.1 50.8 47 58 A N < - 0 0 84 -3,-0.7 3,-0.2 -4,-0.3 -1,-0.2 -0.943 55.7 -98.7-165.3-177.2 31.6 36.5 48.9 48 59 A D S > S+ 0 0 42 -2,-0.3 3,-0.8 1,-0.2 4,-0.3 0.204 83.1 102.3-104.3 17.0 32.0 38.5 45.6 49 60 A Q G > S+ 0 0 129 1,-0.2 3,-2.3 2,-0.2 4,-0.3 0.901 73.3 62.4 -65.7 -43.7 34.3 36.2 43.6 50 61 A W G > S+ 0 0 41 1,-0.3 3,-0.8 -3,-0.2 -1,-0.2 0.703 94.9 66.1 -56.3 -19.4 31.6 34.7 41.3 51 62 A L G X S+ 0 0 1 -3,-0.8 3,-1.9 1,-0.2 -1,-0.3 0.703 78.4 80.1 -74.8 -22.0 31.0 38.3 40.1 52 63 A E G X S+ 0 0 71 -3,-2.3 3,-1.4 -4,-0.3 -1,-0.2 0.718 77.6 74.6 -58.7 -21.4 34.4 38.4 38.4 53 64 A I G < S+ 0 0 99 -3,-0.8 -1,-0.3 -4,-0.3 -2,-0.1 0.763 87.0 59.5 -64.7 -27.1 33.0 36.5 35.6 54 65 A F G < S- 0 0 2 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.572 115.8-104.3 -80.6 -8.5 31.1 39.5 34.3 55 66 A G < - 0 0 19 -3,-1.4 -1,-0.2 -4,-0.3 2,-0.1 -0.359 49.2 -33.7 113.6 167.2 34.3 41.4 33.8 56 67 A K - 0 0 102 -2,-0.1 28,-2.6 -3,-0.1 29,-0.4 -0.420 61.0-159.7 -66.3 134.6 36.5 44.2 35.2 57 68 A R E -D 83 0A 67 26,-0.3 26,-0.3 27,-0.1 3,-0.1 -0.836 29.7-142.1-120.4 157.3 34.5 47.0 36.9 58 69 A I E S- 0 0 102 24,-3.1 2,-0.3 1,-0.3 25,-0.2 0.879 83.5 -37.1 -78.4 -44.0 35.1 50.6 37.8 59 70 A X E -D 82 0A 128 23,-1.1 23,-2.2 -3,-0.1 -1,-0.3 -0.976 55.4-141.3-168.2 176.1 33.1 50.1 41.1 60 71 A X E -D 81 0A 51 -2,-0.3 2,-0.4 21,-0.2 21,-0.2 -0.997 0.7-153.9-152.5 152.0 30.1 48.4 42.7 61 72 A Q E -D 80 0A 100 19,-2.4 19,-2.5 -2,-0.3 5,-0.1 -0.988 3.2-163.3-129.6 135.6 27.3 49.0 45.2 62 73 A K > - 0 0 46 -2,-0.4 3,-2.1 17,-0.2 17,-0.2 -0.848 10.0-169.7-118.6 90.2 25.4 46.4 47.3 63 74 A P T 3 S+ 0 0 23 0, 0.0 3,-0.4 0, 0.0 9,-0.1 0.673 83.7 47.6 -52.2 -27.8 22.3 48.3 48.4 64 75 A E T 3 S+ 0 0 27 14,-0.4 9,-0.1 1,-0.2 15,-0.0 0.257 108.3 56.7-102.5 13.6 21.2 45.7 50.9 65 76 A D S < S+ 0 0 93 -3,-2.1 2,-0.4 13,-0.1 -1,-0.2 -0.208 80.1 111.6-134.8 43.2 24.6 45.3 52.5 66 77 A X - 0 0 51 3,-0.5 -5,-0.0 -3,-0.4 0, 0.0 -0.912 52.0-154.6-120.8 147.3 25.4 48.8 53.6 67 78 A E S S+ 0 0 202 -2,-0.4 -1,-0.1 1,-0.1 -3,-0.0 0.890 95.9 49.2 -82.4 -42.8 25.8 50.3 57.1 68 79 A L S S+ 0 0 141 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.846 114.6 45.2 -66.5 -36.8 25.0 53.9 56.2 69 80 A F S S- 0 0 120 -6,-0.0 -3,-0.5 0, 0.0 -1,-0.2 -0.936 91.3-128.0-113.3 115.2 21.8 53.0 54.3 70 81 A P - 0 0 78 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.212 27.4-110.7 -58.5 146.9 19.5 50.5 55.9 71 82 A P + 0 0 78 0, 0.0 -7,-0.1 0, 0.0 3,-0.1 -0.650 46.7 159.1 -81.4 137.2 18.5 47.5 53.8 72 83 A E + 0 0 158 -2,-0.3 3,-0.1 -9,-0.1 -8,-0.1 -0.255 36.8 104.5-155.3 58.4 14.9 47.6 52.8 73 84 A L S > S- 0 0 64 1,-0.4 3,-2.3 3,-0.2 -9,-0.1 -0.292 80.6-121.4-131.0 42.4 14.4 45.5 49.7 74 85 A G T 3 S- 0 0 76 1,-0.3 -1,-0.4 -3,-0.1 0, 0.0 -0.274 76.5 -22.1 55.9-126.8 12.7 42.5 51.5 75 86 A N T 3 S+ 0 0 110 -3,-0.1 -1,-0.3 20,-0.1 2,-0.1 0.149 111.9 111.4-100.5 14.9 14.6 39.3 51.0 76 87 A W < - 0 0 59 -3,-2.3 2,-0.3 18,-0.1 -3,-0.2 -0.340 47.5-166.0 -82.8 171.9 16.3 40.5 47.9 77 88 A F E - E 0 93A 9 16,-0.6 16,-2.7 -2,-0.1 2,-0.3 -0.904 14.7-179.8-157.8 124.5 19.9 41.3 47.4 78 89 A S E - E 0 92A 5 -2,-0.3 -14,-0.4 14,-0.2 2,-0.3 -0.769 18.5-146.9-127.7 174.9 21.2 43.3 44.5 79 90 A Y E - E 0 91A 0 12,-1.9 12,-2.2 -2,-0.3 2,-0.6 -0.994 3.3-157.0-140.1 139.2 24.4 44.7 42.9 80 91 A I E -DE 61 90A 38 -19,-2.5 -19,-2.4 -2,-0.3 2,-0.4 -0.986 22.7-173.5-119.5 116.9 24.8 47.8 40.9 81 92 A I E -DE 60 89A 1 8,-2.3 8,-2.3 -2,-0.6 2,-0.7 -0.928 21.7-159.7-117.2 139.0 27.9 47.5 38.8 82 93 A L E -DE 59 88A 54 -23,-2.2 -24,-3.1 -2,-0.4 -23,-1.1 -0.943 27.1-145.8-113.0 105.9 29.7 50.0 36.6 83 94 A F E > -D 57 0A 1 4,-3.6 3,-1.3 -2,-0.7 -26,-0.3 -0.342 16.3-125.4 -75.0 152.4 31.8 48.1 34.1 84 95 A E T 3 S+ 0 0 124 -28,-2.6 -27,-0.1 1,-0.3 -1,-0.1 0.875 111.7 59.0 -60.9 -38.7 35.1 49.2 32.8 85 96 A D T 3 S- 0 0 41 -29,-0.4 -1,-0.3 1,-0.1 -28,-0.1 0.572 127.4-100.9 -68.7 -8.1 33.9 48.8 29.2 86 97 A G S < S+ 0 0 44 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.194 79.6 131.4 109.7 -16.8 31.3 51.3 30.1 87 98 A N - 0 0 10 -5,-0.1 -4,-3.6 -56,-0.0 2,-0.4 -0.357 41.9-150.5 -74.6 151.2 28.3 49.1 30.7 88 99 A K E - E 0 82A 42 -6,-0.2 -56,-3.0 -2,-0.1 2,-0.3 -0.975 12.1-170.3-121.7 132.9 26.1 49.3 33.8 89 100 A L E -cE 32 81A 0 -8,-2.3 -8,-2.3 -2,-0.4 2,-0.4 -0.922 15.3-164.5-124.3 150.7 24.2 46.4 35.3 90 101 A D E -cE 33 80A 39 -58,-2.6 -56,-2.4 -2,-0.3 2,-0.5 -0.937 19.7-176.7-132.2 102.8 21.6 46.2 38.0 91 102 A L E -cE 34 79A 0 -12,-2.2 -12,-1.9 -2,-0.4 2,-0.4 -0.915 6.2-168.2-109.9 125.7 21.3 42.6 39.2 92 103 A T E -cE 35 78A 21 -58,-2.3 -56,-2.7 -2,-0.5 2,-0.7 -0.910 11.7-151.4-114.0 139.9 18.7 41.5 41.7 93 104 A L E -cE 36 77A 0 -16,-2.7 -16,-0.6 -2,-0.4 -56,-0.2 -0.906 20.7-177.1-110.7 101.8 18.7 38.1 43.5 94 105 A I E -c 37 0A 1 -58,-1.6 -56,-2.1 -2,-0.7 -18,-0.1 -0.807 34.0-106.3-100.3 138.0 15.1 37.2 44.4 95 106 A P E > -c 38 0A 19 0, 0.0 3,-2.2 0, 0.0 -56,-0.2 -0.432 25.9-131.3 -63.2 134.5 14.3 34.0 46.3 96 107 A I G > S+ 0 0 47 -58,-3.3 3,-1.8 1,-0.3 4,-0.3 0.821 104.3 68.0 -55.5 -33.8 12.7 31.5 43.9 97 108 A R G 3 S+ 0 0 196 -59,-0.3 4,-0.3 1,-0.3 -1,-0.3 0.703 96.5 56.4 -60.2 -18.6 9.9 30.9 46.3 98 109 A E G <> S+ 0 0 42 -3,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.197 74.9 98.4-102.0 15.8 8.7 34.5 45.7 99 110 A A H <> S+ 0 0 1 -3,-1.8 4,-3.4 2,-0.2 5,-0.2 0.937 81.3 52.2 -66.0 -50.1 8.3 34.2 41.9 100 111 A E H > S+ 0 0 80 -4,-0.3 4,-2.4 -3,-0.2 -1,-0.2 0.933 111.8 45.5 -50.6 -54.6 4.6 33.6 42.1 101 112 A D H > S+ 0 0 101 -4,-0.3 4,-1.5 1,-0.2 -1,-0.2 0.942 115.2 50.2 -54.9 -50.5 4.0 36.7 44.2 102 113 A Y H < S+ 0 0 74 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.926 112.3 44.2 -52.4 -58.8 6.3 38.7 41.9 103 114 A F H < S+ 0 0 46 -4,-3.4 -2,-0.2 1,-0.1 -1,-0.2 0.964 110.5 56.3 -51.2 -62.7 4.6 37.6 38.7 104 115 A A H < 0 0 87 -4,-2.4 -2,-0.2 1,-0.3 -3,-0.1 0.883 360.0 360.0 -34.9 -80.8 1.1 38.2 40.0 105 116 A N < 0 0 156 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.1 -0.081 360.0 360.0 -71.4 360.0 1.3 41.8 41.1 106 ! 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 0.0 107 122 A K 0 0 78 0, 0.0 -81,-1.7 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 90.5 10.1 39.8 30.2 108 123 A V E +B 25 0A 25 -83,-0.2 -83,-0.3 1,-0.1 3,-0.1 -0.414 360.0 179.3 -66.6 140.7 11.1 36.3 31.4 109 124 A L E + 0 0 14 -85,-3.3 82,-1.9 1,-0.4 2,-0.3 0.722 64.1 14.4-112.3 -35.6 14.2 34.9 29.6 110 125 A L E +BF 24 190A 1 -86,-1.2 -86,-2.3 80,-0.2 2,-0.4 -0.993 50.2 179.9-148.0 137.1 14.7 31.5 31.2 111 126 A D E -BF 23 189A 10 78,-2.8 78,-2.9 -2,-0.3 -88,-0.2 -0.984 2.2-176.7-134.8 118.8 12.6 29.2 33.4 112 127 A K S S+ 0 0 10 -90,-2.9 -89,-0.1 -2,-0.4 -1,-0.1 0.698 85.3 29.7 -91.8 -18.5 14.2 25.9 34.4 113 128 A D S S- 0 0 82 -91,-0.4 -1,-0.1 76,-0.1 -90,-0.1 0.734 78.5-153.4-110.0 -32.7 11.3 24.4 36.3 114 129 A S + 0 0 44 75,-0.1 -91,-0.0 1,-0.1 -3,-0.0 0.855 43.9 142.8 60.0 36.7 8.2 25.9 34.6 115 130 A F + 0 0 93 2,-0.0 2,-0.2 0, 0.0 -1,-0.1 0.916 58.9 56.5 -71.7 -42.3 6.2 25.5 37.8 116 131 A I S S- 0 0 50 1,-0.0 2,-0.3 0, 0.0 -3,-0.0 -0.478 74.5-139.9 -90.7 159.2 4.3 28.7 37.2 117 132 A N + 0 0 91 -2,-0.2 2,-0.3 0, 0.0 -2,-0.0 -0.888 39.9 129.7-114.7 146.1 2.2 29.8 34.2 118 133 A Y - 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0 0 43 -2,-0.5 3,-0.1 1,-0.1 -3,-0.0 -0.994 37.9 -89.7-145.5 151.4 23.7 29.9 1.0 217 233 A V - 0 0 103 -2,-0.3 -1,-0.1 1,-0.1 5,-0.0 0.064 62.9 -70.6 -51.1 164.0 25.0 32.5 -1.4 218 234 A N S S+ 0 0 151 4,-0.1 2,-0.1 3,-0.0 -1,-0.1 -0.193 81.3 95.9 -61.3 150.8 22.6 34.3 -3.9 219 235 A G S > S- 0 0 24 -3,-0.1 4,-1.7 1,-0.1 5,-0.1 -0.362 75.0-103.8 138.2 145.0 21.2 32.4 -6.9 220 236 A Y H > S+ 0 0 66 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.892 121.4 44.1 -60.9 -43.0 18.1 30.5 -7.8 221 237 A Q H > S+ 0 0 124 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.843 109.9 56.2 -71.2 -33.2 19.8 27.1 -7.4 222 238 A E H > S+ 0 0 53 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.836 106.1 53.0 -65.2 -32.9 21.4 28.1 -4.2 223 239 A X H X S+ 0 0 13 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.900 104.6 51.9 -69.3 -43.2 17.9 28.9 -2.9 224 240 A W H X S+ 0 0 18 -4,-1.5 4,-2.8 1,-0.2 5,-0.2 0.895 111.0 51.4 -59.1 -39.4 16.5 25.5 -3.8 225 241 A K H X S+ 0 0 103 -4,-1.8 4,-2.5 2,-0.2 -2,-0.2 0.950 108.3 49.1 -62.6 -51.2 19.5 24.1 -1.8 226 242 A S H X S+ 0 0 2 -4,-2.4 4,-1.9 1,-0.2 -2,-0.2 0.918 114.2 47.6 -54.6 -45.5 18.8 26.3 1.2 227 243 A L H X S+ 0 0 0 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.916 111.6 47.0 -63.6 -48.6 15.1 25.2 1.1 228 244 A F H X S+ 0 0 64 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.852 109.1 56.8 -63.4 -31.9 15.8 21.6 0.8 229 245 A T H X S+ 0 0 34 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.912 106.1 48.9 -64.8 -42.2 18.3 21.9 3.6 230 246 A C H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.877 109.9 54.6 -62.5 -37.2 15.5 23.3 5.8 231 247 A Y H X S+ 0 0 2 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.970 108.2 47.0 -57.5 -56.5 13.4 20.3 4.7 232 248 A A H X S+ 0 0 53 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.897 116.6 44.2 -53.4 -46.9 16.0 17.8 5.8 233 249 A L H X S+ 0 0 14 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.827 110.2 54.3 -71.8 -31.6 16.5 19.5 9.1 234 250 A F H X S+ 0 0 0 -4,-2.6 4,-2.4 2,-0.2 5,-0.3 0.867 107.8 49.6 -71.1 -35.5 12.8 20.0 9.8 235 251 A R H X S+ 0 0 58 -4,-2.2 4,-2.8 -5,-0.2 5,-0.3 0.973 110.5 52.5 -62.8 -53.1 12.1 16.3 9.3 236 252 A K H X S+ 0 0 87 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.923 117.4 34.4 -46.9 -59.3 14.9 15.4 11.6 237 253 A Y H X S+ 0 0 11 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.812 117.5 50.3 -73.4 -31.5 13.7 17.6 14.5 238 254 A S H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.853 113.6 48.1 -73.9 -33.4 10.0 17.3 14.1 239 255 A K H X S+ 0 0 98 -4,-2.8 4,-2.2 -5,-0.3 -2,-0.2 0.933 113.1 48.7 -67.7 -44.8 10.4 13.5 14.0 240 256 A A H X S+ 0 0 35 -4,-2.3 4,-1.9 -5,-0.3 -2,-0.2 0.907 117.6 40.1 -59.7 -45.4 12.6 13.8 17.1 241 257 A V H X S+ 0 0 1 -4,-2.5 4,-1.9 2,-0.2 5,-0.2 0.931 114.7 50.3 -71.3 -48.5 10.1 15.9 18.9 242 258 A S H X>S+ 0 0 9 -4,-2.8 5,-2.4 1,-0.2 4,-0.9 0.876 112.9 49.4 -57.9 -39.0 7.0 14.1 17.8 243 259 A E H <5S+ 0 0 161 -4,-2.2 3,-0.3 -5,-0.2 -1,-0.2 0.926 109.9 49.3 -68.0 -45.8 8.6 10.9 18.8 244 260 A G H <5S+ 0 0 58 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.771 119.6 36.1 -66.6 -27.8 9.6 12.1 22.3 245 261 A L H <5S- 0 0 40 -4,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.476 108.0-120.3-103.8 -4.2 6.2 13.5 23.2 246 262 A A T <5 + 0 0 89 -4,-0.9 2,-0.3 -3,-0.3 -3,-0.2 0.901 59.1 152.4 67.2 42.0 4.3 10.8 21.4 247 263 A Y < - 0 0 39 -5,-2.4 -1,-0.2 -6,-0.2 2,-0.2 -0.738 54.1 -93.3-100.4 154.2 2.5 13.2 19.1 248 264 A K - 0 0 171 -2,-0.3 -1,-0.1 1,-0.1 -5,-0.0 -0.467 35.7-126.8 -67.7 130.4 1.3 12.2 15.6 249 265 A Y - 0 0 68 -2,-0.2 -1,-0.1 1,-0.1 -10,-0.1 -0.663 33.8-123.7 -75.7 125.7 3.8 13.0 12.9 250 266 A P - 0 0 10 0, 0.0 4,-0.3 0, 0.0 3,-0.2 -0.092 0.9-132.0 -65.5 172.3 1.9 15.0 10.3 251 267 A D S > S+ 0 0 104 1,-0.1 4,-2.8 2,-0.1 5,-0.2 0.306 85.5 97.0-105.8 5.7 1.6 14.2 6.6 252 268 A Y H > S+ 0 0 55 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.875 80.2 56.3 -60.5 -39.3 2.6 17.7 5.5 253 269 A D H > S+ 0 0 16 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.987 113.2 37.8 -54.3 -65.8 6.2 16.5 5.0 254 270 A E H > S+ 0 0 127 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.887 117.0 51.1 -54.0 -48.8 5.2 13.7 2.6 255 271 A G H X S+ 0 0 38 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.930 117.3 38.2 -58.8 -46.8 2.5 15.7 0.9 256 272 A I H X S+ 0 0 37 -4,-2.7 4,-3.0 -5,-0.2 5,-0.3 0.762 109.6 60.5 -77.8 -26.7 4.7 18.7 0.2 257 273 A T H X S+ 0 0 26 -4,-2.6 4,-1.8 -5,-0.3 5,-0.2 0.962 108.3 45.0 -64.1 -49.1 7.8 16.7 -0.5 258 274 A K H X S+ 0 0 148 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.947 116.2 50.6 -56.7 -46.7 5.9 15.0 -3.5 259 275 A Y H X S+ 0 0 88 -4,-1.7 4,-1.7 -5,-0.2 3,-0.5 0.973 112.7 38.6 -57.3 -66.4 4.6 18.5 -4.4 260 276 A T H X S+ 0 0 3 -4,-3.0 4,-2.5 1,-0.3 -1,-0.2 0.782 114.9 57.6 -61.6 -21.0 7.8 20.5 -4.5 261 277 A E H X S+ 0 0 111 -4,-1.8 4,-2.1 -5,-0.3 5,-0.3 0.913 102.8 54.6 -71.9 -40.3 9.6 17.5 -6.1 262 278 A G H X S+ 0 0 37 -4,-2.3 4,-0.6 -3,-0.5 -2,-0.2 0.901 115.5 37.8 -57.8 -42.0 7.0 17.6 -8.8 263 279 A I H < S+ 0 0 55 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.857 111.3 58.0 -78.9 -37.7 7.8 21.2 -9.6 264 280 A Y H < S+ 0 0 111 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.889 116.9 33.1 -60.3 -43.3 11.6 21.0 -9.0 265 281 A C H < 0 0 99 -4,-2.1 -3,-0.1 -5,-0.1 -2,-0.1 0.944 360.0 360.0 -77.3 -86.7 12.0 18.3 -11.7 266 282 A S < 0 0 131 -4,-0.6 0, 0.0 -5,-0.3 0, 0.0 -0.070 360.0 360.0 -63.3 360.0 9.5 18.8 -14.5