==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE (GLYCOSYLTRANSFERASE) 09-JUN-94 2BGU . COMPND 2 MOLECULE: BETA-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR A.VRIELINK,W.RUEGER,H.P.C.DRIESSEN,P.S.FREEMONT . 328 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15846.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 226 68.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 0.3 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 0.3 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 . 26 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 0.9 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 1 0 2 1 0 0 1 1 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 4 2 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 M 0 0 112 0, 0.0 35,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 118.3 46.5 16.5 -12.8 2 2 A K - 0 0 106 56,-0.1 58,-2.2 33,-0.1 59,-1.4 -0.988 360.0-165.2-122.0 133.0 44.6 13.9 -10.7 3 3 A I E -ab 37 61A 0 33,-2.1 35,-1.7 -2,-0.4 2,-0.4 -0.884 3.9-164.0-120.4 147.8 46.5 11.8 -8.3 4 4 A A E -ab 38 62A 0 57,-1.9 59,-3.1 -2,-0.3 2,-0.4 -0.975 3.7-158.5-130.2 145.2 45.4 8.6 -6.5 5 5 A I E -ab 39 63A 0 33,-1.9 35,-2.7 -2,-0.4 2,-0.3 -0.986 11.6-176.4-124.0 134.7 46.9 6.9 -3.4 6 6 A I E -ab 40 64A 0 57,-2.1 59,-2.1 -2,-0.4 2,-0.6 -0.952 22.5-139.5-128.4 147.2 46.3 3.2 -2.7 7 7 A N E - b 0 65A 5 33,-0.5 59,-0.2 -2,-0.3 68,-0.1 -0.958 15.7-156.3-107.6 114.8 47.5 1.2 0.3 8 8 A M S S+ 0 0 10 57,-2.7 67,-0.2 -2,-0.6 68,-0.2 0.773 82.5 26.1 -63.2 -32.4 48.6 -2.1 -1.1 9 9 A G S S+ 0 0 14 56,-0.3 2,-0.3 1,-0.1 63,-0.3 0.608 114.3 48.3-113.3 -8.1 48.1 -4.3 2.1 10 10 A N S S- 0 0 50 61,-0.2 -3,-0.2 9,-0.1 2,-0.2 -0.965 75.2-110.6-137.2 153.9 45.5 -2.7 4.3 11 11 A N - 0 0 56 -2,-0.3 2,-0.5 30,-0.1 9,-0.1 -0.515 32.3-146.9 -77.4 135.1 42.0 -1.3 4.1 12 12 A V + 0 0 0 -2,-0.2 31,-0.4 1,-0.1 30,-0.1 -0.940 49.6 115.6-107.8 130.6 42.0 2.5 4.7 13 13 A I S S+ 0 0 59 1,-0.5 2,-0.2 -2,-0.5 34,-0.2 0.387 70.1 2.3-157.5 -41.7 39.0 4.0 6.5 14 14 A N S S- 0 0 62 33,-0.1 -1,-0.5 3,-0.0 3,-0.3 -0.695 73.9 -91.8-143.3-169.9 39.8 5.6 9.8 15 15 A F S S+ 0 0 82 -2,-0.2 204,-0.2 1,-0.2 6,-0.1 0.168 92.3 102.4 -98.0 19.0 42.5 6.5 12.3 16 16 A K S S+ 0 0 180 202,-0.1 2,-0.3 4,-0.0 -1,-0.2 0.912 78.9 42.7 -67.7 -46.3 42.0 3.2 14.1 17 17 A T S > S- 0 0 58 -3,-0.3 4,-2.2 1,-0.1 5,-0.1 -0.717 81.1-125.9-102.8 154.7 45.0 1.3 12.7 18 18 A V H > S+ 0 0 71 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.901 111.0 51.4 -65.4 -39.5 48.5 2.7 12.2 19 19 A P H > S+ 0 0 30 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.906 112.4 44.8 -64.2 -41.9 48.5 1.7 8.4 20 20 A S H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.913 115.3 50.8 -67.9 -38.7 45.1 3.4 7.8 21 21 A S H X S+ 0 0 4 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.909 108.2 47.6 -64.6 -50.1 46.3 6.5 9.8 22 22 A E H X S+ 0 0 47 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.848 110.9 54.6 -64.9 -27.8 49.7 7.0 8.0 23 23 A T H X S+ 0 0 0 -4,-1.4 4,-2.4 -5,-0.2 -2,-0.2 0.917 108.7 46.8 -70.4 -41.5 47.8 6.7 4.7 24 24 A I H X S+ 0 0 6 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.832 111.9 52.3 -69.4 -31.2 45.4 9.4 5.6 25 25 A Y H X S+ 0 0 31 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.839 109.3 47.9 -71.2 -38.9 48.3 11.6 6.8 26 26 A L H X S+ 0 0 16 -4,-1.8 4,-2.8 2,-0.2 5,-0.3 0.959 112.4 50.2 -62.6 -50.7 50.2 11.2 3.5 27 27 A F H X S+ 0 0 38 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.903 111.1 50.4 -51.9 -44.3 46.9 12.1 1.7 28 28 A K H X S+ 0 0 56 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.934 112.3 43.9 -63.0 -48.6 46.6 15.1 3.9 29 29 A V H < S+ 0 0 3 -4,-2.4 4,-0.3 2,-0.2 -1,-0.2 0.860 114.8 49.9 -66.7 -37.5 50.1 16.5 3.4 30 30 A I H ><>S+ 0 0 4 -4,-2.8 3,-1.3 2,-0.2 5,-0.6 0.929 111.0 49.7 -67.5 -42.3 49.9 15.8 -0.4 31 31 A S H >X5S+ 0 0 43 -4,-2.7 3,-2.7 -5,-0.3 4,-0.9 0.937 105.7 56.7 -59.6 -46.6 46.5 17.6 -0.5 32 32 A E T 3<5S+ 0 0 61 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.594 92.5 71.0 -63.0 -10.4 48.0 20.6 1.4 33 33 A M T <45S- 0 0 15 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.590 124.2-102.8 -78.2 -11.3 50.6 20.8 -1.4 34 34 A G T <45S+ 0 0 69 -3,-2.7 2,-0.4 1,-0.3 -2,-0.2 0.841 77.1 140.6 90.9 38.3 47.7 22.0 -3.6 35 35 A L << - 0 0 27 -4,-0.9 2,-0.9 -5,-0.6 -1,-0.3 -0.933 58.5-122.4-118.3 139.4 47.2 18.7 -5.4 36 36 A N + 0 0 94 -35,-0.5 -33,-2.1 -2,-0.4 2,-0.3 -0.747 49.9 171.4 -77.7 107.3 43.9 17.2 -6.4 37 37 A V E -a 3 0A 10 -2,-0.9 2,-0.3 -35,-0.2 -33,-0.2 -0.956 23.8-175.5-130.2 148.9 44.1 13.8 -4.6 38 38 A D E -a 4 0A 26 -35,-1.7 -33,-1.9 -2,-0.3 2,-0.5 -0.952 19.4-139.8-134.1 149.2 41.9 10.8 -3.8 39 39 A I E -ac 5 48A 1 8,-0.5 10,-2.1 -2,-0.3 2,-0.5 -0.937 18.5-153.7-107.3 133.0 42.6 7.7 -1.8 40 40 A I E +ac 6 49A 0 -35,-2.7 -33,-0.5 -2,-0.5 2,-0.2 -0.932 31.8 138.7-110.8 127.1 41.2 4.5 -3.3 41 41 A S E - c 0 50A 4 8,-2.9 10,-1.2 -2,-0.5 -30,-0.1 -0.744 64.6 -66.1-145.2-165.5 40.3 1.6 -1.0 42 42 A L S S+ 0 0 35 -2,-0.2 2,-0.3 8,-0.2 10,-0.2 0.880 108.4 30.1 -60.9 -42.7 37.7 -1.0 -0.4 43 43 A K S S- 0 0 133 -31,-0.4 2,-0.3 6,-0.1 -2,-0.2 -0.836 77.2-112.5-125.7 157.9 34.8 1.3 0.6 44 44 A N + 0 0 87 -2,-0.3 5,-0.3 5,-0.1 2,-0.2 -0.670 56.6 133.9 -80.8 138.4 33.4 4.7 -0.1 45 45 A G S S- 0 0 45 3,-2.8 5,-0.0 -2,-0.3 -32,-0.0 -0.832 70.3 -63.3-160.7-160.1 33.6 7.0 2.9 46 46 A V S S+ 0 0 130 -2,-0.2 3,-0.1 1,-0.2 -33,-0.0 0.692 134.5 23.8 -79.6 -15.0 34.6 10.4 4.2 47 47 A Y S S+ 0 0 81 -34,-0.2 -8,-0.5 1,-0.1 2,-0.3 0.634 121.0 54.1-116.4 -25.0 38.2 9.8 3.2 48 48 A T E -c 39 0A 4 -35,-0.1 -3,-2.8 -10,-0.1 2,-0.3 -0.798 52.8-152.2-122.7 161.6 38.0 7.1 0.5 49 49 A K E -c 40 0A 85 -10,-2.1 -8,-2.9 -2,-0.3 2,-0.2 -0.877 35.9-112.7-120.1 147.3 36.5 6.1 -2.8 50 50 A S E >> -c 41 0A 2 -2,-0.3 3,-1.5 -10,-0.2 4,-0.6 -0.555 19.6-118.6 -83.9 154.7 36.0 2.4 -3.7 51 51 A F G >4 S+ 0 0 28 -10,-1.2 3,-0.8 1,-0.3 5,-0.2 0.865 115.2 51.8 -55.4 -38.0 38.0 0.6 -6.4 52 52 A D G 34 S+ 0 0 126 -10,-0.2 -1,-0.3 1,-0.2 -10,-0.1 0.543 103.0 57.4 -79.4 -7.8 34.7 -0.0 -8.2 53 53 A E G <4 S+ 0 0 127 -3,-1.5 2,-0.3 2,-0.0 -1,-0.2 0.495 104.8 56.7 -99.8 -4.5 33.5 3.6 -8.2 54 54 A V S << S- 0 0 28 -3,-0.8 2,-0.6 -4,-0.6 3,-0.1 -0.821 77.4-125.9-122.8 162.3 36.5 5.0 -10.0 55 55 A D > - 0 0 83 -2,-0.3 3,-2.6 1,-0.1 4,-0.3 -0.955 18.9-144.5-110.1 112.9 38.2 4.3 -13.3 56 56 A V G > S+ 0 0 7 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.816 97.8 58.0 -45.6 -35.6 41.9 3.5 -12.7 57 57 A N G 3 S+ 0 0 61 1,-0.2 -1,-0.3 -3,-0.1 25,-0.0 0.310 84.3 78.2 -86.5 13.6 42.9 5.3 -15.8 58 58 A D G < S+ 0 0 91 -3,-2.6 2,-0.4 -55,-0.0 -1,-0.2 0.578 82.2 84.2 -87.9 -14.7 41.3 8.7 -14.9 59 59 A Y < - 0 0 18 -3,-1.1 -56,-0.2 -4,-0.3 3,-0.1 -0.750 62.2-160.5 -95.8 137.5 44.4 9.3 -12.7 60 60 A D S S+ 0 0 70 -58,-2.2 2,-0.4 -2,-0.4 -57,-0.2 0.779 82.8 29.2 -82.8 -30.6 47.6 10.7 -14.0 61 61 A R E -b 3 0A 54 -59,-1.4 -57,-1.9 23,-0.1 2,-0.6 -0.999 66.5-160.4-135.1 130.9 49.7 9.6 -11.2 62 62 A L E -bd 4 86A 1 23,-0.7 25,-2.5 -2,-0.4 2,-0.4 -0.958 9.1-165.9-115.5 114.1 49.2 6.5 -9.0 63 63 A I E -bd 5 87A 0 -59,-3.1 -57,-2.1 -2,-0.6 2,-0.4 -0.856 4.6-163.6-100.1 131.7 51.0 6.5 -5.6 64 64 A V E -bd 6 88A 0 23,-3.1 25,-3.1 -2,-0.4 2,-0.3 -0.954 8.2-177.9-122.8 128.0 51.3 3.2 -3.7 65 65 A V E -b 7 0A 5 -59,-2.1 -57,-2.7 -2,-0.4 2,-0.4 -0.833 14.8-145.1-114.4 158.5 52.2 2.8 -0.0 66 66 A N 0 0 21 23,-0.5 25,-0.2 -2,-0.3 29,-0.1 -0.988 360.0 360.0-132.7 142.2 52.5 -0.5 1.8 67 67 A S 0 0 39 -2,-0.4 -1,-0.0 -47,-0.0 -47,-0.0 -0.118 360.0 360.0-154.6 360.0 51.7 -1.6 5.3 68 ! 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 69 77 A N > 0 0 119 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 128.8 43.4 -10.6 1.8 70 78 A L H > + 0 0 115 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.861 360.0 54.8 -59.9 -42.4 40.8 -8.5 -0.0 71 79 A A H > S+ 0 0 4 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 114.1 43.0 -60.2 -39.5 42.8 -5.2 0.2 72 80 A I H > S+ 0 0 53 -63,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.931 115.2 46.5 -71.4 -51.3 45.7 -6.9 -1.4 73 81 A L H X S+ 0 0 73 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.958 114.8 49.0 -56.1 -49.7 43.8 -8.7 -4.1 74 82 A S H X S+ 0 0 25 -4,-3.0 4,-2.5 1,-0.2 -2,-0.2 0.911 110.8 48.8 -57.8 -47.8 41.8 -5.6 -4.9 75 83 A A H X S+ 0 0 0 -4,-2.1 4,-2.9 -5,-0.2 5,-0.2 0.901 112.5 48.4 -60.8 -42.5 44.9 -3.4 -5.1 76 84 A Q H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.930 111.8 48.9 -63.0 -48.1 46.7 -5.8 -7.5 77 85 A K H X S+ 0 0 89 -4,-2.6 4,-0.7 -5,-0.2 -2,-0.2 0.933 114.9 46.1 -57.1 -44.8 43.7 -6.2 -9.7 78 86 A F H >X S+ 0 0 19 -4,-2.5 3,-0.8 -5,-0.2 4,-0.6 0.899 113.7 46.5 -65.8 -46.6 43.4 -2.3 -9.8 79 87 A M H >< S+ 0 0 1 -4,-2.9 3,-1.6 1,-0.2 -1,-0.2 0.905 103.4 64.8 -64.1 -39.6 47.1 -1.7 -10.5 80 88 A A H 3< S+ 0 0 29 -4,-2.8 28,-0.2 1,-0.3 -1,-0.2 0.747 104.5 46.4 -56.3 -26.2 47.1 -4.4 -13.1 81 89 A K H << S+ 0 0 120 -3,-0.8 2,-0.3 -4,-0.7 -1,-0.3 0.570 86.6 105.5 -92.9 -13.6 44.7 -2.3 -15.2 82 90 A Y << - 0 0 4 -3,-1.6 26,-0.2 -4,-0.6 27,-0.2 -0.539 56.3-159.0 -70.4 131.1 46.6 1.0 -14.7 83 91 A K + 0 0 152 -2,-0.3 2,-0.2 2,-0.1 -1,-0.1 0.347 63.0 59.9 -94.6 5.6 48.4 1.8 -18.0 84 92 A S S S- 0 0 55 1,-0.1 25,-0.1 25,-0.1 2,-0.1 -0.607 95.9 -55.6-122.4-173.7 51.1 4.2 -16.6 85 93 A K - 0 0 45 -2,-0.2 -23,-0.7 24,-0.1 2,-0.5 -0.340 45.1-140.3 -66.0 139.2 54.0 4.3 -14.2 86 94 A I E -de 62 111A 0 24,-2.2 26,-2.9 -25,-0.1 2,-0.7 -0.893 6.9-148.5-105.0 126.7 53.4 3.3 -10.5 87 95 A Y E -de 63 112A 8 -25,-2.5 -23,-3.1 -2,-0.5 2,-0.5 -0.887 15.2-163.0 -98.7 111.8 55.1 5.3 -7.8 88 96 A Y E -de 64 113A 1 24,-2.9 26,-2.9 -2,-0.7 2,-0.8 -0.838 13.3-142.7-100.9 126.6 55.9 3.1 -4.8 89 97 A L E - e 0 114A 0 -25,-3.1 2,-1.1 -2,-0.5 -23,-0.5 -0.806 13.9-158.0 -88.2 106.0 56.7 4.7 -1.5 90 98 A F E + e 0 115A 0 24,-2.5 26,-2.0 -2,-0.8 27,-0.3 -0.774 34.2 147.0 -89.9 97.4 59.4 2.5 0.0 91 99 A T + 0 0 35 -2,-1.1 2,-0.4 4,-0.3 -1,-0.2 0.598 58.4 44.0-108.7 -16.6 59.1 3.3 3.7 92 100 A D > - 0 0 29 3,-0.3 3,-2.3 -3,-0.2 -1,-0.2 -0.996 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A I - 0 0 43 -129,-0.5 -103,-0.3 -2,-0.3 2,-0.2 -0.985 31.3-149.6-110.2 124.8 65.8 8.6 8.8 246 267 A T >> - 0 0 18 -2,-0.5 3,-1.5 1,-0.1 4,-0.8 -0.629 25.1-107.8 -99.6 164.1 62.6 7.2 10.3 247 268 A L H >> S+ 0 0 28 1,-0.3 4,-2.3 -2,-0.2 3,-0.6 0.859 115.4 67.8 -55.0 -34.8 59.4 8.9 11.5 248 269 A R H 3> S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.3 0.834 90.3 63.3 -57.8 -28.2 60.5 8.2 15.1 249 270 A V H <> S+ 0 0 1 -3,-1.5 4,-2.7 1,-0.2 -1,-0.2 0.946 110.4 37.5 -61.4 -44.1 63.4 10.7 14.6 250 271 A W H < S+ 0 0 2 -4,-2.5 3,-1.1 -5,-0.3 5,-0.4 0.924 112.8 52.0 -77.1 -43.6 61.2 12.2 19.2 253 274 A M H 3< S+ 0 0 1 -4,-2.7 -2,-0.2 -5,-0.3 -3,-0.2 0.810 110.0 50.0 -62.7 -32.9 62.8 15.5 18.1 254 275 A A T 3< S+ 0 0 1 -4,-2.0 -100,-2.9 -5,-0.1 -1,-0.3 0.578 100.4 86.8 -81.1 -12.1 59.4 17.3 18.4 255 276 A S S < S- 0 0 0 -3,-1.1 -31,-0.1 -4,-0.3 4,-0.1 -0.148 89.5-112.9 -83.6 178.2 58.8 15.9 21.9 256 277 A D S S+ 0 0 9 -33,-0.5 2,-0.4 -101,-0.2 -99,-0.2 0.270 90.8 96.8 -92.0 7.7 59.9 17.1 25.3 257 278 A 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7.5 12.3 267 288 A T T 3 S+ 0 0 57 -3,-0.5 -1,-0.1 1,-0.3 -3,-0.1 0.754 80.5 51.8 -62.1 -30.4 77.8 7.2 12.3 268 289 A K T 3 S- 0 0 148 -5,-0.0 -1,-0.3 5,-0.0 -5,-0.0 0.493 108.1-124.3 -85.5 -4.7 78.3 10.4 10.4 269 290 A H < + 0 0 33 -3,-1.4 -2,-0.1 -6,-0.2 -3,-0.0 0.900 54.8 154.8 59.4 47.2 76.1 12.3 12.8 270 291 A R + 0 0 140 1,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.813 65.1 56.2 -70.4 -36.8 73.8 13.6 10.1 271 292 A I S S- 0 0 19 1,-0.3 2,-0.3 -5,-0.1 -1,-0.2 0.951 130.4 -6.3 -64.4 -53.7 70.8 14.0 12.3 272 293 A I - 0 0 6 2,-0.1 2,-2.0 37,-0.0 -1,-0.3 -0.952 64.0-139.2-144.5 124.0 72.5 16.4 14.8 273 294 A N S S+ 0 0 147 -2,-0.3 2,-0.3 -3,-0.2 -3,-0.1 -0.470 72.0 100.6 -84.6 73.2 76.2 17.2 14.7 274 295 A D > - 0 0 31 -2,-2.0 3,-1.5 1,-0.0 4,-0.2 -0.885 63.9-147.3-156.2 117.2 76.7 17.1 18.5 275 296 A A G > S+ 0 0 68 -2,-0.3 3,-1.4 1,-0.3 -1,-0.0 0.672 89.2 77.5 -63.6 -20.1 78.2 14.1 20.2 276 297 A R G 3 S+ 0 0 88 1,-0.2 -1,-0.3 -16,-0.0 26,-0.0 0.731 89.8 56.6 -64.2 -20.1 76.1 14.5 23.3 277 298 A 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X S+ 0 0 110 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.920 113.5 50.9 -60.0 -44.3 75.7 7.6 32.1 288 309 A R H X S+ 0 0 50 -4,-2.8 4,-2.4 2,-0.2 -1,-0.2 0.911 110.6 47.5 -63.1 -41.2 74.0 9.9 29.7 289 310 A V H X S+ 0 0 0 -4,-2.8 4,-2.7 1,-0.2 -1,-0.2 0.906 111.3 51.9 -68.1 -37.0 70.6 9.6 31.3 290 311 A N H X S+ 0 0 54 -4,-2.5 4,-1.2 -5,-0.3 -1,-0.2 0.912 108.7 50.9 -65.2 -40.1 72.1 10.1 34.7 291 312 A E H >X S+ 0 0 114 -4,-2.3 4,-1.1 -5,-0.2 3,-0.7 0.956 112.1 46.5 -59.8 -50.3 73.8 13.3 33.5 292 313 A L H >< S+ 0 0 1 -4,-2.4 3,-0.6 1,-0.2 7,-0.3 0.903 109.8 54.2 -58.6 -43.4 70.5 14.6 32.0 293 314 A K H 3< S+ 0 0 88 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.741 116.0 38.9 -62.8 -26.6 68.6 13.7 35.2 294 315 A H H << S+ 0 0 146 -4,-1.2 2,-0.4 -3,-0.7 -1,-0.2 0.511 111.7 55.7-107.7 -0.9 71.0 15.7 37.3 295 316 A S S+ 0 0 85 -2,-0.4 4,-3.1 2,-0.2 5,-0.3 0.808 85.6 59.9 -64.5 -35.1 68.7 20.7 34.0 297 318 A V H > S+ 0 0 114 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 110.7 41.9 -60.2 -42.4 71.0 23.1 32.2 298 319 A L H > S+ 0 0 29 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.945 115.9 47.6 -67.5 -52.9 72.2 20.3 30.1 299 320 A R H X S+ 0 0 31 -4,-2.6 4,-2.1 -7,-0.3 -2,-0.2 0.930 115.7 45.5 -56.2 -45.1 68.8 18.7 29.6 300 321 A K H X S+ 0 0 129 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.824 111.2 52.7 -70.0 -33.1 67.3 22.1 28.7 301 322 A E H X S+ 0 0 84 -4,-1.8 4,-2.2 -5,-0.3 -2,-0.2 0.939 110.1 47.7 -67.3 -46.3 70.2 22.9 26.4 302 323 A M H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.908 110.9 50.8 -61.8 -42.1 69.9 19.7 24.4 303 324 A L H X S+ 0 0 11 -4,-2.1 4,-2.2 1,-0.2 5,-0.2 0.895 110.6 50.3 -59.8 -45.5 66.1 20.1 24.1 304 325 A S H X S+ 0 0 67 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.896 110.7 49.3 -61.6 -39.8 66.6 23.6 22.8 305 326 A I H X S+ 0 0 41 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.927 112.9 46.2 -67.5 -43.1 69.2 22.3 20.2 306 327 A Q H X S+ 0 0 0 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.861 112.2 49.5 -69.3 -35.2 67.0 19.5 18.9 307 328 A H H X S+ 0 0 30 -4,-2.2 4,-2.6 -5,-0.2 -1,-0.2 0.866 109.4 54.4 -70.1 -34.2 63.9 21.7 18.6 308 329 A D H X S+ 0 0 91 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.935 107.5 48.0 -61.5 -50.6 66.0 24.2 16.8 309 330 A I H X S+ 0 0 51 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.916 111.0 53.2 -56.5 -43.9 67.1 21.6 14.2 310 331 A L H X S+ 0 0 0 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.940 109.4 48.2 -58.5 -45.6 63.5 20.6 13.9 311 332 A N H X S+ 0 0 74 -4,-2.6 4,-1.4 1,-0.2 -1,-0.2 0.879 107.8 53.4 -64.6 -38.3 62.5 24.2 13.1 312 333 A K H < S+ 0 0 136 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.880 111.1 47.8 -65.1 -35.5 65.3 24.7 10.5 313 334 A T H >< S+ 0 0 27 -4,-1.9 3,-1.6 1,-0.2 -2,-0.2 0.888 109.2 52.1 -71.4 -41.0 64.0 21.6 8.7 314 335 A R H >< S+ 0 0 79 -4,-2.2 3,-1.1 1,-0.3 -1,-0.2 0.777 98.2 67.7 -67.0 -22.5 60.4 22.8 8.9 315 336 A A T 3< S+ 0 0 85 -4,-1.4 3,-0.3 1,-0.3 -1,-0.3 0.590 93.9 59.3 -71.4 -9.8 61.6 26.1 7.4 316 337 A K T <> + 0 0 123 -3,-1.6 4,-2.1 -4,-0.2 -1,-0.3 -0.047 66.5 121.5-107.7 30.0 62.4 24.2 4.1 317 338 A K H <> S+ 0 0 61 -3,-1.1 4,-2.8 1,-0.2 5,-0.2 0.874 71.6 53.6 -60.2 -41.8 58.8 23.0 3.6 318 339 A A H > S+ 0 0 60 -3,-0.3 4,-2.1 1,-0.2 -1,-0.2 0.903 110.7 46.3 -62.5 -40.5 58.5 24.7 0.2 319 340 A E H > S+ 0 0 129 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.863 112.6 51.1 -68.4 -37.7 61.7 23.0 -1.1 320 341 A W H X S+ 0 0 19 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.925 109.9 49.4 -65.5 -44.3 60.5 19.6 0.3 321 342 A Q H X S+ 0 0 34 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.921 111.9 48.4 -62.1 -43.2 57.1 20.0 -1.4 322 343 A D H X S+ 0 0 86 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.914 109.9 51.4 -62.6 -46.2 58.8 20.8 -4.8 323 344 A A H X S+ 0 0 39 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.843 109.4 52.0 -61.0 -34.8 61.1 17.9 -4.5 324 345 A F H X S+ 0 0 5 -4,-1.8 4,-1.1 2,-0.2 -2,-0.2 0.924 108.8 49.1 -67.8 -43.5 58.1 15.7 -3.8 325 346 A K H ><>S+ 0 0 58 -4,-2.3 5,-2.1 1,-0.2 3,-0.6 0.921 112.1 49.1 -61.7 -41.5 56.3 17.0 -6.9 326 347 A K H ><5S+ 0 0 147 -4,-2.7 3,-1.7 4,-0.3 -1,-0.2 0.874 104.6 58.9 -65.3 -37.4 59.5 16.3 -9.0 327 348 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.754 107.7 46.5 -64.2 -26.1 59.8 12.8 -7.6 328 349 A I T <<5S- 0 0 0 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 -0.006 125.6-102.7-104.2 28.5 56.4 12.0 -9.0 329 350 A D T < 5 0 0 62 -3,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.822 360.0 360.0 56.8 46.4 57.2 13.6 -12.3 330 351 A L < 0 0 89 -5,-2.1 -4,-0.3 -8,-0.2 -5,-0.1 0.589 360.0 360.0-117.3 360.0 55.4 16.9 -12.0