==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 28-JUL-99 1C3J . COMPND 2 MOLECULE: BETA-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.MORERA,A.IMBERTY,U.ASCHKE-SONNENBORN,W.RUGER,P.S.FREEMONT . 333 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 15.9 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 . 25 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 85 25.5 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 2 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 3 3 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 0 118 0, 0.0 35,-0.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 119.7 8.5 3.6 -12.9 2 2 A K E -a 36 0A 99 56,-0.1 58,-2.3 33,-0.1 59,-1.6 -0.973 360.0-163.9-119.9 130.6 6.8 1.0 -10.8 3 3 A I E -ab 37 61A 0 33,-2.5 35,-1.4 -2,-0.4 2,-0.4 -0.836 3.5-166.6-116.0 141.4 8.5 -1.2 -8.2 4 4 A A E -ab 38 62A 0 57,-2.1 59,-3.3 -2,-0.3 2,-0.4 -0.974 3.4-161.5-124.1 143.7 7.4 -4.4 -6.5 5 5 A I E -ab 39 63A 0 33,-1.9 35,-2.7 -2,-0.4 2,-0.3 -0.979 11.1-179.4-123.0 132.7 8.9 -6.1 -3.4 6 6 A I E - b 0 64A 0 57,-1.9 59,-2.2 -2,-0.4 2,-0.6 -0.949 25.5-136.0-129.8 148.7 8.2 -9.8 -2.6 7 7 A N E - b 0 65A 5 33,-0.5 59,-0.2 -2,-0.3 68,-0.1 -0.976 17.5-153.0-104.5 117.9 9.5 -11.8 0.3 8 8 A M S S+ 0 0 15 57,-2.9 68,-0.2 -2,-0.6 67,-0.2 0.614 83.6 20.8 -67.5 -19.2 10.6 -15.2 -1.1 9 9 A G S S+ 0 0 15 56,-0.2 2,-0.3 1,-0.2 63,-0.3 0.531 113.7 55.3-132.2 -0.6 10.1 -17.3 1.9 10 10 A N S S- 0 0 43 61,-0.2 -3,-0.2 9,-0.1 -1,-0.2 -0.976 75.2-111.6-138.9 148.6 7.7 -15.7 4.4 11 11 A N - 0 0 66 -2,-0.3 2,-0.5 30,-0.1 30,-0.1 -0.400 28.8-147.9 -73.8 145.4 4.2 -14.3 4.3 12 12 A V + 0 0 1 1,-0.1 31,-0.4 -2,-0.1 30,-0.1 -0.985 47.9 116.5-119.1 122.1 3.9 -10.5 4.7 13 13 A I S S- 0 0 62 1,-0.5 34,-0.3 -2,-0.5 2,-0.2 0.437 71.9 -10.0-147.3 -45.1 0.9 -9.1 6.5 14 14 A N S S- 0 0 44 33,-0.1 -1,-0.5 32,-0.1 3,-0.5 -0.698 77.9 -80.4-146.9-169.0 1.6 -7.2 9.7 15 15 A F S S+ 0 0 77 -2,-0.2 209,-0.2 1,-0.2 6,-0.1 0.071 92.5 106.8 -93.5 29.5 4.4 -6.5 12.3 16 16 A K S S+ 0 0 160 207,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.715 77.8 32.6 -78.0 -32.9 3.8 -9.9 14.0 17 17 A T S > S- 0 0 69 -3,-0.5 4,-1.7 1,-0.1 207,-0.1 -0.838 81.9-118.0-120.6 165.4 6.9 -11.8 12.8 18 18 A V H > S+ 0 0 66 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.911 110.9 50.7 -72.4 -44.0 10.5 -10.5 12.1 19 19 A P H > S+ 0 0 24 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.877 112.6 48.0 -62.8 -32.8 10.6 -11.4 8.4 20 20 A S H > S+ 0 0 1 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.933 111.1 51.3 -72.2 -40.5 7.3 -9.7 7.7 21 21 A S H X S+ 0 0 5 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.862 108.1 49.7 -64.6 -41.5 8.3 -6.5 9.7 22 22 A E H X S+ 0 0 46 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.871 109.0 53.0 -69.4 -29.9 11.6 -6.0 7.8 23 23 A T H X S+ 0 0 0 -4,-1.2 4,-2.9 -5,-0.2 -2,-0.2 0.941 112.6 45.2 -67.7 -42.5 9.8 -6.4 4.4 24 24 A I H X S+ 0 0 4 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.880 114.3 47.4 -67.9 -40.8 7.4 -3.7 5.5 25 25 A Y H X S+ 0 0 29 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.867 113.4 48.8 -67.5 -37.9 10.1 -1.4 6.9 26 26 A L H X S+ 0 0 13 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.947 112.4 49.1 -61.4 -49.3 12.1 -2.0 3.6 27 27 A F H X S+ 0 0 39 -4,-2.9 4,-2.4 -5,-0.2 -2,-0.2 0.914 110.7 51.4 -55.8 -43.2 9.0 -1.1 1.7 28 28 A K H X S+ 0 0 60 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.916 110.9 46.0 -63.0 -43.8 8.5 2.0 3.9 29 29 A V H < S+ 0 0 4 -4,-2.2 4,-0.5 2,-0.2 -1,-0.2 0.866 112.7 49.6 -67.8 -39.9 12.1 3.4 3.3 30 30 A I H ><>S+ 0 0 3 -4,-2.3 3,-1.2 2,-0.2 5,-0.9 0.934 111.8 49.9 -66.0 -43.6 11.9 2.8 -0.4 31 31 A S H ><5S+ 0 0 43 -4,-2.4 3,-2.3 1,-0.3 4,-0.5 0.921 106.5 55.0 -58.2 -46.8 8.5 4.6 -0.5 32 32 A E T 3<5S+ 0 0 51 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.668 95.0 68.7 -62.7 -13.9 10.0 7.5 1.5 33 33 A M T < 5S- 0 0 16 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.585 124.5-104.7 -76.4 -11.8 12.6 7.6 -1.3 34 34 A G T < 5S+ 0 0 67 -3,-2.3 2,-0.4 1,-0.3 -3,-0.2 0.829 75.5 140.3 91.5 35.2 9.8 8.9 -3.5 35 35 A L < - 0 0 28 -5,-0.9 2,-0.9 -4,-0.5 -1,-0.3 -0.875 57.6-121.9-113.7 144.3 9.3 5.6 -5.4 36 36 A N E +a 2 0A 96 -35,-0.5 -33,-2.5 -2,-0.4 2,-0.3 -0.755 51.3 162.5 -81.1 108.7 5.9 4.1 -6.4 37 37 A V E -a 3 0A 11 -2,-0.9 2,-0.3 -35,-0.2 -33,-0.2 -0.967 25.9-171.9-139.0 149.8 6.1 0.6 -4.8 38 38 A D E -a 4 0A 27 -35,-1.4 -33,-1.9 -2,-0.3 2,-0.4 -0.939 21.9-132.9-129.9 151.9 3.8 -2.2 -3.7 39 39 A I E -ac 5 48A 1 8,-0.6 10,-1.9 -2,-0.3 2,-0.5 -0.900 20.8-151.7-104.0 135.6 4.6 -5.4 -1.7 40 40 A I E + c 0 49A 1 -35,-2.7 -33,-0.5 -2,-0.4 10,-0.2 -0.954 32.9 142.5-110.2 124.8 3.2 -8.5 -3.4 41 41 A S E - c 0 50A 5 8,-3.1 10,-1.4 -2,-0.5 -30,-0.1 -0.677 62.9 -69.4-141.6-165.0 2.2 -11.3 -1.0 42 42 A L S S+ 0 0 43 8,-0.2 2,-0.3 -2,-0.2 10,-0.2 0.884 108.5 23.2 -64.0 -38.0 -0.3 -14.1 -0.3 43 43 A K S S- 0 0 153 -31,-0.4 2,-0.3 6,-0.1 -2,-0.2 -0.821 77.5-108.8-132.7 163.4 -3.2 -11.8 0.5 44 44 A N + 0 0 90 -2,-0.3 2,-0.3 5,-0.1 5,-0.2 -0.689 56.3 127.6 -86.0 143.6 -4.5 -8.3 -0.0 45 45 A G S S- 0 0 42 3,-2.1 5,-0.0 -2,-0.3 -32,-0.0 -0.898 73.1 -54.6-170.3-164.9 -4.5 -6.1 3.1 46 46 A V S S+ 0 0 129 -2,-0.3 -32,-0.1 1,-0.2 -33,-0.0 0.736 134.5 24.5 -64.9 -23.8 -3.3 -2.7 4.3 47 47 A Y S S+ 0 0 82 -34,-0.3 -8,-0.6 -35,-0.1 2,-0.3 0.581 119.0 54.2-114.3 -15.9 0.3 -3.3 3.3 48 48 A T E -c 39 0A 9 -35,-0.1 -3,-2.1 -10,-0.1 2,-0.3 -0.803 51.7-153.0-127.7 163.8 0.0 -5.9 0.5 49 49 A K E -c 40 0A 83 -10,-1.9 -8,-3.1 -2,-0.3 2,-0.2 -0.857 38.9-110.7-119.0 152.5 -1.5 -6.9 -2.8 50 50 A S E > -c 41 0A 12 -2,-0.3 3,-0.8 -10,-0.2 4,-0.5 -0.614 17.3-119.3 -89.6 155.7 -1.9 -10.6 -3.7 51 51 A F G > S+ 0 0 32 -10,-1.4 3,-0.9 1,-0.2 5,-0.2 0.884 115.6 53.9 -53.7 -38.5 0.0 -12.4 -6.4 52 52 A D G 3 S+ 0 0 139 -10,-0.2 -1,-0.2 1,-0.2 -10,-0.1 0.749 103.2 53.4 -70.8 -26.6 -3.3 -13.1 -8.0 53 53 A E G < S+ 0 0 136 -3,-0.8 2,-0.3 2,-0.0 -1,-0.2 0.385 105.1 56.1 -92.6 1.4 -4.5 -9.5 -8.2 54 54 A V S < S- 0 0 27 -3,-0.9 2,-0.6 -4,-0.5 3,-0.1 -0.855 76.8-125.5-127.3 162.5 -1.5 -8.0 -10.0 55 55 A D > - 0 0 81 -2,-0.3 3,-3.1 1,-0.2 4,-0.3 -0.959 19.4-145.1-107.3 117.5 0.3 -8.8 -13.3 56 56 A V G > S+ 0 0 8 -2,-0.6 3,-1.7 1,-0.3 -1,-0.2 0.881 98.6 59.9 -51.0 -36.3 4.0 -9.3 -12.4 57 57 A N G 3 S+ 0 0 63 1,-0.3 -1,-0.3 -3,-0.1 25,-0.0 0.459 83.1 77.5 -77.0 4.9 4.9 -7.7 -15.6 58 58 A D G < S+ 0 0 89 -3,-3.1 2,-0.4 2,-0.0 -1,-0.3 0.586 83.7 86.5 -80.3 -13.2 3.2 -4.4 -14.8 59 59 A Y < - 0 0 16 -3,-1.7 -56,-0.2 -4,-0.3 3,-0.1 -0.771 62.6-161.8 -94.8 134.6 6.3 -3.8 -12.6 60 60 A D S S+ 0 0 71 -58,-2.3 2,-0.4 -2,-0.4 -57,-0.2 0.760 84.3 28.2 -80.5 -28.6 9.5 -2.2 -14.0 61 61 A R E -b 3 0A 56 -59,-1.6 -57,-2.1 23,-0.1 2,-0.6 -0.996 67.2-160.4-137.7 127.1 11.7 -3.4 -11.1 62 62 A L E -bd 4 86A 0 23,-0.7 25,-2.5 -2,-0.4 2,-0.4 -0.952 9.9-165.8-111.6 113.6 11.1 -6.6 -9.0 63 63 A I E -bd 5 87A 1 -59,-3.3 -57,-1.9 -2,-0.6 2,-0.4 -0.857 4.8-161.6-101.1 132.6 13.0 -6.5 -5.7 64 64 A V E +bd 6 88A 0 23,-3.3 25,-2.9 -2,-0.4 2,-0.3 -0.959 10.1 178.7-120.8 127.9 13.3 -9.9 -3.8 65 65 A V E -b 7 0A 6 -59,-2.2 -57,-2.9 -2,-0.4 2,-0.3 -0.782 8.3-160.0-117.1 166.7 14.1 -10.3 -0.0 66 66 A N 0 0 23 23,-0.3 25,-0.2 -2,-0.3 29,-0.1 -0.994 360.0 360.0-149.7 142.5 14.3 -13.5 2.1 67 67 A S 0 0 46 -2,-0.3 -47,-0.1 24,-0.0 -49,-0.1 -0.112 360.0 360.0-140.4 360.0 14.2 -14.2 5.9 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 0 125 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 122.1 5.2 -23.9 1.7 70 78 A L H > + 0 0 119 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.829 360.0 48.8 -48.0 -51.4 2.7 -21.3 0.2 71 79 A A H > S+ 0 0 7 2,-0.2 4,-2.0 -62,-0.2 5,-0.2 0.947 115.8 44.5 -60.7 -46.2 4.9 -18.2 0.3 72 80 A I H > S+ 0 0 53 -63,-0.3 4,-1.7 1,-0.2 -2,-0.2 0.939 115.4 46.4 -66.9 -45.4 7.9 -20.0 -1.3 73 81 A L H X S+ 0 0 29 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.918 114.7 47.5 -63.5 -42.8 5.8 -21.7 -4.0 74 82 A S H X S+ 0 0 29 -4,-2.5 4,-2.4 -5,-0.2 -1,-0.2 0.880 109.3 51.0 -64.6 -46.6 3.9 -18.5 -5.0 75 83 A A H X S+ 0 0 0 -4,-2.0 4,-3.1 -5,-0.2 5,-0.2 0.924 111.3 49.8 -61.0 -40.4 6.9 -16.2 -5.2 76 84 A Q H X S+ 0 0 6 -4,-1.7 4,-2.9 -5,-0.2 -2,-0.2 0.950 110.8 48.1 -65.4 -44.7 8.6 -18.7 -7.5 77 85 A K H X S+ 0 0 75 -4,-2.1 4,-0.7 1,-0.2 -1,-0.2 0.910 115.0 47.4 -60.2 -40.2 5.6 -19.0 -9.8 78 86 A F H >X S+ 0 0 14 -4,-2.4 3,-0.9 1,-0.2 4,-0.9 0.929 114.9 43.6 -65.5 -49.7 5.4 -15.2 -9.8 79 87 A M H >< S+ 0 0 1 -4,-3.1 3,-0.5 1,-0.2 -1,-0.2 0.849 106.4 63.2 -67.2 -32.5 9.1 -14.6 -10.5 80 88 A A H 3< S+ 0 0 25 -4,-2.9 -1,-0.2 1,-0.2 33,-0.2 0.721 106.3 44.9 -65.1 -20.1 9.0 -17.4 -13.1 81 89 A K H << S+ 0 0 110 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.628 89.4 103.5 -97.4 -15.2 6.6 -15.4 -15.1 82 90 A Y << - 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0 0 40 -4,-1.3 4,-2.1 1,-0.1 -1,-0.2 -0.869 51.4-177.2-130.7 104.1 33.7 5.7 35.3 301 317 A D H > S+ 0 0 88 -2,-0.4 4,-2.3 1,-0.2 5,-0.2 0.803 88.6 61.7 -66.0 -28.2 30.7 7.7 34.1 302 318 A V H > S+ 0 0 118 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.961 108.3 42.1 -62.4 -45.0 33.0 10.1 32.3 303 319 A L H > S+ 0 0 31 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 115.6 48.6 -66.1 -46.7 34.3 7.1 30.1 304 320 A R H X S+ 0 0 34 -4,-2.1 4,-2.4 -7,-0.3 -1,-0.2 0.923 114.3 45.5 -61.1 -45.6 30.8 5.6 29.5 305 321 A K H X S+ 0 0 134 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.868 112.5 50.9 -67.5 -36.5 29.3 9.0 28.6 306 322 A E H X S+ 0 0 88 -4,-2.0 4,-2.2 -5,-0.2 -1,-0.2 0.891 111.8 47.1 -65.5 -45.4 32.2 9.9 26.3 307 323 A M H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.893 112.8 49.1 -65.4 -41.2 31.9 6.6 24.4 308 324 A L H X S+ 0 0 11 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.918 110.8 50.7 -62.2 -43.1 28.1 7.0 24.1 309 325 A S H X S+ 0 0 73 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.908 111.7 48.3 -61.0 -41.3 28.7 10.5 22.8 310 326 A I H X S+ 0 0 46 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.912 112.1 46.9 -67.5 -45.4 31.2 9.2 20.2 311 327 A Q H X S+ 0 0 0 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.895 111.4 51.4 -68.2 -33.5 29.1 6.4 18.9 312 328 A H H X S+ 0 0 33 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.843 108.6 53.2 -69.0 -32.6 26.0 8.7 18.6 313 329 A D H X S+ 0 0 107 -4,-1.5 4,-2.5 2,-0.2 -2,-0.2 0.910 107.2 49.7 -64.6 -47.8 28.2 11.1 16.6 314 330 A I H X S+ 0 0 34 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.942 111.7 50.7 -57.7 -43.9 29.3 8.4 14.1 315 331 A L H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.934 111.3 46.3 -61.3 -46.7 25.6 7.5 13.8 316 332 A N H X S+ 0 0 69 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.869 108.8 55.6 -63.8 -36.2 24.5 11.1 13.1 317 333 A K H < S+ 0 0 104 -4,-2.5 4,-0.3 1,-0.2 -1,-0.2 0.921 110.7 46.0 -60.6 -43.9 27.4 11.6 10.6 318 334 A T H >< S+ 0 0 14 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.912 110.0 52.7 -66.2 -43.7 26.0 8.5 8.7 319 335 A R H >< S+ 0 0 80 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.826 97.3 68.0 -61.9 -28.2 22.4 9.8 8.9 320 336 A A T 3< S+ 0 0 84 -4,-1.9 3,-0.3 1,-0.3 -1,-0.3 0.631 94.9 57.6 -64.6 -18.2 23.6 13.1 7.4 321 337 A K T X> + 0 0 106 -3,-1.6 4,-2.4 -4,-0.3 3,-0.6 0.073 66.1 123.1-100.8 22.6 24.4 11.2 4.1 322 338 A K H <> S+ 0 0 53 -3,-1.6 4,-2.6 1,-0.2 5,-0.2 0.845 72.2 55.0 -51.6 -40.5 20.8 9.9 3.6 323 339 A A H 3> S+ 0 0 59 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.886 109.5 45.3 -64.0 -39.0 20.6 11.6 0.2 324 340 A E H <> S+ 0 0 133 -3,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.873 112.7 51.8 -71.7 -35.9 23.7 9.9 -1.1 325 341 A W H X S+ 0 0 20 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.912 110.6 47.7 -65.2 -45.7 22.5 6.6 0.4 326 342 A Q H X S+ 0 0 38 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.889 111.6 51.6 -61.6 -42.4 19.1 6.9 -1.4 327 343 A D H X S+ 0 0 93 -4,-2.0 4,-2.1 1,-0.2 -2,-0.2 0.903 109.9 48.9 -59.9 -47.3 20.9 7.8 -4.7 328 344 A A H X S+ 0 0 39 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.872 108.4 53.0 -63.3 -39.4 23.1 4.8 -4.5 329 345 A F H X S+ 0 0 3 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.927 110.5 47.6 -61.2 -47.1 20.1 2.4 -3.8 330 346 A K H <>S+ 0 0 66 -4,-2.0 5,-2.4 1,-0.2 3,-0.2 0.895 112.1 50.1 -59.7 -41.2 18.3 3.8 -6.9 331 347 A K H ><5S+ 0 0 139 -4,-2.1 3,-1.5 1,-0.2 -2,-0.2 0.885 106.4 56.1 -64.6 -36.5 21.6 3.3 -8.9 332 348 A A H 3<5S+ 0 0 0 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.803 108.5 47.1 -64.0 -34.3 21.8 -0.3 -7.6 333 349 A I T 3<5S- 0 0 0 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.005 122.1-106.9 -97.0 26.9 18.3 -1.0 -8.9 334 350 A D T < 5 0 0 63 -3,-1.5 -3,-0.2 1,-0.2 -2,-0.1 0.812 360.0 360.0 54.8 42.1 19.2 0.5 -12.3 335 351 A L < 0 0 88 -5,-2.4 -1,-0.2 -6,-0.1 -2,-0.0 -0.688 360.0 360.0-112.3 360.0 17.1 3.8 -12.0