==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE (GLUCOSYLTRANSFERASE) 22-JUL-99 1QKJ . COMPND 2 MOLECULE: BETA-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTERIOPHAGE T4; . AUTHOR S.MORERA,I.IMBERTY,U.ASCHKE-SONNENBORN,W.RUGER,P.S.FREEMONT . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 246 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 54 15.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 31 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 15.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 25.6 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 1 2 1 0 0 2 0 1 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 3 4 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 . 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 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 97 0, 0.0 35,-0.7 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 90.1 47.9 -6.4 18.3 2 2 A K E -a 36 0A 66 56,-0.2 58,-3.0 33,-0.1 59,-0.8 -0.884 360.0-161.5-101.2 121.9 48.2 -3.5 15.9 3 3 A I E -ab 37 61A 0 33,-2.8 35,-2.2 -2,-0.6 2,-0.4 -0.836 4.0-158.3-103.9 138.7 45.1 -1.2 15.8 4 4 A A E -ab 38 62A 0 57,-3.0 59,-2.5 -2,-0.4 2,-0.4 -0.919 9.7-169.8-113.5 138.9 44.3 1.2 13.0 5 5 A I E +ab 39 63A 0 33,-1.9 35,-2.1 -2,-0.4 2,-0.3 -0.993 9.1 172.0-132.0 137.2 41.9 4.2 13.6 6 6 A I E - b 0 64A 0 57,-2.0 59,-3.2 -2,-0.4 2,-0.5 -0.997 35.8-126.0-147.5 154.6 40.4 6.6 11.2 7 7 A N E - b 0 65A 6 33,-0.4 59,-0.1 -2,-0.3 60,-0.1 -0.844 25.1-150.9 -93.5 127.9 37.9 9.4 10.5 8 8 A M S S+ 0 0 0 57,-1.8 75,-0.3 -2,-0.5 76,-0.2 0.651 88.7 13.3 -76.5 -18.2 35.7 8.3 7.7 9 9 A G S S+ 0 0 2 57,-0.3 71,-0.4 56,-0.3 2,-0.4 0.446 114.2 73.6-138.8 0.1 34.9 11.7 6.4 10 10 A N S S- 0 0 62 69,-0.3 -3,-0.3 9,-0.1 -1,-0.1 -0.967 70.7-122.6-128.3 137.3 37.4 14.1 7.9 11 11 A N - 0 0 72 -2,-0.4 2,-0.4 30,-0.1 30,-0.1 -0.367 30.1-147.5 -66.5 144.9 41.1 14.9 7.6 12 12 A V + 0 0 3 31,-0.1 31,-0.3 1,-0.1 30,-0.2 -0.960 45.4 119.4-120.5 134.5 43.0 14.5 10.9 13 13 A I S S- 0 0 96 1,-0.6 34,-0.3 -2,-0.4 2,-0.2 0.188 70.9 -14.5-155.5 -67.6 46.0 16.6 11.8 14 14 A N S S- 0 0 50 32,-0.1 -1,-0.6 33,-0.1 3,-0.3 -0.454 75.0 -82.4-130.2-156.1 45.8 18.7 15.0 15 15 A F S S+ 0 0 28 1,-0.2 225,-1.1 -2,-0.2 226,-0.3 0.032 92.2 101.0-103.7 21.4 43.2 20.0 17.4 16 16 A K S S+ 0 0 137 223,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.768 86.1 44.4 -77.3 -24.7 42.0 23.1 15.4 17 17 A T S >> S- 0 0 60 -3,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.959 80.9-131.2-121.0 144.3 38.9 21.1 14.3 18 18 A V H 3> S+ 0 0 83 -2,-0.4 4,-2.9 1,-0.2 5,-0.2 0.827 103.8 54.1 -57.2 -47.5 36.6 18.9 16.4 19 19 A P H 3> S+ 0 0 42 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.785 113.9 43.3 -63.9 -24.9 36.6 15.8 14.1 20 20 A S H <> S+ 0 0 0 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.803 114.9 49.9 -85.7 -33.4 40.4 15.7 14.1 21 21 A S H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.2 0.899 108.7 51.5 -72.0 -40.8 40.6 16.3 17.8 22 22 A E H X S+ 0 0 24 -4,-2.9 4,-2.2 2,-0.2 -1,-0.2 0.940 112.6 46.7 -59.9 -46.0 38.1 13.6 18.6 23 23 A T H X S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.2 -2,-0.2 0.946 115.0 44.8 -61.0 -50.4 40.1 11.1 16.5 24 24 A I H X S+ 0 0 0 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.875 111.5 54.5 -61.7 -39.2 43.5 12.1 18.1 25 25 A Y H X S+ 0 0 21 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.929 109.9 47.0 -58.9 -45.3 41.9 12.1 21.5 26 26 A L H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 5,-0.2 0.869 106.7 55.6 -64.1 -44.6 40.7 8.5 21.0 27 27 A F H X S+ 0 0 35 -4,-2.1 4,-2.6 2,-0.2 -1,-0.2 0.902 110.7 49.3 -56.5 -36.5 44.1 7.3 19.6 28 28 A K H X S+ 0 0 52 -4,-1.8 4,-3.4 2,-0.2 5,-0.2 0.955 109.3 47.2 -68.9 -54.2 45.6 8.6 22.9 29 29 A V H < S+ 0 0 5 -4,-2.2 -1,-0.2 2,-0.2 4,-0.2 0.815 115.4 48.1 -59.6 -31.8 43.2 7.0 25.3 30 30 A I H ><>S+ 0 0 2 -4,-2.1 5,-1.7 2,-0.2 3,-1.3 0.942 112.4 48.1 -73.5 -44.5 43.6 3.7 23.3 31 31 A S H ><5S+ 0 0 42 -4,-2.6 3,-1.7 1,-0.3 -2,-0.2 0.911 110.5 51.1 -60.9 -42.6 47.4 4.1 23.4 32 32 A E T 3<5S+ 0 0 60 -4,-3.4 -1,-0.3 1,-0.3 -2,-0.2 0.564 96.2 71.3 -70.3 -9.5 47.3 4.8 27.2 33 33 A M T < 5S- 0 0 10 -3,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.533 127.3 -99.5 -80.4 -9.6 45.2 1.6 27.5 34 34 A G T < 5S+ 0 0 70 -3,-1.7 -3,-0.2 1,-0.4 -2,-0.2 0.351 83.8 136.2 103.2 1.1 48.4 -0.2 26.8 35 35 A L < - 0 0 29 -5,-1.7 2,-0.8 -6,-0.2 -1,-0.4 -0.472 58.5-125.6 -85.3 153.6 47.3 -0.7 23.2 36 36 A N E +a 2 0A 101 -35,-0.7 -33,-2.8 -2,-0.2 2,-0.3 -0.874 42.7 169.0-100.8 107.8 49.4 -0.2 20.0 37 37 A V E -a 3 0A 8 -2,-0.8 2,-0.4 -35,-0.2 -33,-0.2 -0.966 22.5-171.5-126.9 143.0 47.5 2.3 17.7 38 38 A D E -a 4 0A 21 -35,-2.2 -33,-1.9 -2,-0.3 2,-0.4 -0.981 20.5-138.3-128.4 135.5 48.3 4.2 14.5 39 39 A I E -ac 5 48A 1 8,-0.8 10,-2.9 -2,-0.4 2,-0.5 -0.790 18.2-153.7 -91.2 136.5 45.9 6.9 13.1 40 40 A I E + c 0 49A 1 -35,-2.1 -33,-0.4 -2,-0.4 10,-0.2 -0.975 30.1 147.5-115.4 120.2 45.7 6.6 9.3 41 41 A S E - c 0 50A 3 8,-3.1 10,-2.7 -2,-0.5 -30,-0.1 -0.580 59.0 -70.8-133.2-159.4 44.9 9.8 7.4 42 42 A L S S+ 0 0 49 8,-0.2 10,-0.3 -30,-0.2 2,-0.3 0.947 109.7 8.7 -69.4 -47.1 45.4 11.8 4.2 43 43 A K S S- 0 0 167 -31,-0.3 -2,-0.1 7,-0.1 2,-0.1 -0.850 88.5 -89.7-130.7 163.2 49.0 12.7 4.8 44 44 A N + 0 0 94 -2,-0.3 2,-0.3 6,-0.1 5,-0.2 -0.455 59.1 148.5 -69.9 148.0 51.7 11.8 7.3 45 45 A G - 0 0 39 3,-2.6 -32,-0.1 -2,-0.1 5,-0.0 -0.907 61.2 -64.2-162.9-172.8 51.8 14.0 10.3 46 46 A V S S+ 0 0 133 -2,-0.3 -32,-0.1 1,-0.2 -33,-0.1 0.834 134.7 15.7 -57.1 -34.8 52.6 14.3 14.0 47 47 A Y S S+ 0 0 69 -34,-0.3 -8,-0.8 -35,-0.1 2,-0.3 0.514 118.9 77.1-116.6 -3.3 49.8 11.9 14.8 48 48 A T E -c 39 0A 6 -10,-0.1 -3,-2.6 -36,-0.1 2,-0.3 -0.820 52.2-156.7-124.1 150.8 49.1 10.3 11.5 49 49 A K E -c 40 0A 88 -10,-2.9 -8,-3.1 -2,-0.3 2,-0.3 -0.837 41.4-106.4-112.1 145.5 50.4 7.7 9.0 50 50 A S E >> -c 41 0A 6 -2,-0.3 3,-2.1 -10,-0.2 4,-0.7 -0.630 16.3-129.6 -78.0 131.9 49.2 8.2 5.4 51 51 A F T 34 S+ 0 0 22 -10,-2.7 3,-0.4 -2,-0.3 5,-0.2 0.744 108.2 51.3 -47.0 -39.6 46.6 5.8 3.9 52 52 A D T 34 S+ 0 0 134 -10,-0.3 -1,-0.3 1,-0.2 3,-0.1 0.120 107.6 52.3 -91.7 21.7 48.8 5.1 0.8 53 53 A E T <4 S+ 0 0 138 -3,-2.1 2,-0.3 1,-0.1 -2,-0.2 0.315 106.5 61.4-127.8 -4.2 51.8 4.2 2.9 54 54 A V S < S- 0 0 25 -4,-0.7 2,-0.6 -3,-0.4 -1,-0.1 -0.897 72.9-140.7-127.7 143.4 50.0 1.7 5.0 55 55 A D > - 0 0 61 -2,-0.3 3,-2.3 1,-0.1 4,-0.3 -0.965 18.7-141.4-103.9 113.5 48.2 -1.6 4.0 56 56 A V G > S+ 0 0 0 -2,-0.6 3,-1.1 1,-0.3 -1,-0.1 0.702 94.8 68.1 -49.3 -22.1 45.0 -1.8 6.1 57 57 A N G 3 S+ 0 0 40 1,-0.2 -1,-0.3 32,-0.1 33,-0.0 0.464 80.7 75.9 -84.7 7.5 45.3 -5.5 6.5 58 58 A D G < S+ 0 0 85 -3,-2.3 2,-0.3 3,-0.0 -1,-0.2 0.615 85.6 77.0 -84.7 -19.0 48.4 -5.1 8.7 59 59 A Y S < S- 0 0 4 -3,-1.1 -56,-0.2 -4,-0.3 3,-0.1 -0.699 71.3-149.4 -93.0 148.5 46.1 -4.1 11.5 60 60 A D S S+ 0 0 69 -58,-3.0 2,-0.3 -2,-0.3 -57,-0.2 0.368 86.6 34.9 -95.5 -1.4 44.1 -6.6 13.5 61 61 A R E -b 3 0A 48 -59,-0.8 -57,-3.0 31,-0.1 2,-0.6 -0.947 61.8-161.0-156.5 133.4 41.4 -4.0 14.1 62 62 A L E -bd 4 94A 0 31,-0.8 33,-2.7 -2,-0.3 2,-0.5 -0.983 13.2-171.7-117.5 111.8 40.0 -1.1 12.1 63 63 A I E -bd 5 95A 0 -59,-2.5 -57,-2.0 -2,-0.6 2,-0.4 -0.935 5.7-163.1-105.7 132.6 38.2 1.4 14.2 64 64 A V E -bd 6 96A 0 31,-2.9 33,-3.6 -2,-0.5 2,-0.4 -0.964 10.8-143.2-122.9 126.3 36.3 4.1 12.2 65 65 A V E -bd 7 97A 0 -59,-3.2 -57,-1.8 -2,-0.4 -56,-0.3 -0.828 39.4 -96.1 -88.7 132.6 35.0 7.4 13.8 66 66 A N + 0 0 5 31,-2.3 -57,-0.3 -2,-0.4 2,-0.3 0.084 50.8 158.9 -49.8 156.3 31.6 8.5 12.4 67 67 A S - 0 0 3 36,-0.5 39,-0.2 37,-0.2 2,-0.1 -0.931 38.8-104.4-172.2 153.0 31.1 11.0 9.5 68 68 A S - 0 0 59 -2,-0.3 35,-0.1 1,-0.1 38,-0.0 -0.346 22.8-131.9 -80.1 168.3 28.5 12.1 6.9 69 69 A I + 0 0 10 -2,-0.1 2,-0.3 38,-0.1 -1,-0.1 0.106 56.2 145.3-107.3 21.0 29.0 11.0 3.3 70 70 A N - 0 0 88 1,-0.1 2,-1.0 41,-0.0 10,-0.1 -0.419 40.0-155.0 -67.9 121.1 28.3 14.6 2.1 71 71 A F > - 0 0 4 -2,-0.3 3,-2.4 3,-0.1 -1,-0.1 -0.837 22.7-135.7 -97.9 95.9 30.2 15.8 -0.9 72 72 A F G > S+ 0 0 147 -2,-1.0 3,-1.1 1,-0.3 0, 0.0 -0.262 88.2 5.2 -54.4 134.5 30.3 19.6 -0.5 73 73 A G G 3 S- 0 0 72 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.523 121.8 -85.0 66.7 4.8 29.5 21.5 -3.7 74 74 A G G < S+ 0 0 22 -3,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.202 98.9 131.8 81.0 -13.9 28.9 18.0 -5.0 75 75 A K S < S- 0 0 131 -3,-1.1 -1,-0.3 1,-0.1 40,-0.0 -0.261 70.5 -77.5 -71.0 152.2 32.6 17.8 -5.7 76 76 A P - 0 0 62 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 -0.142 38.9-147.9 -51.2 142.0 34.8 14.8 -4.6 77 77 A N > - 0 0 37 1,-0.1 4,-2.2 -3,-0.1 5,-0.2 -0.981 4.9-161.8-115.3 112.0 35.6 14.7 -0.9 78 78 A L H > S+ 0 0 94 -2,-0.6 4,-2.0 2,-0.2 5,-0.3 0.811 88.0 59.5 -66.2 -31.7 39.0 13.2 -0.5 79 79 A A H > S+ 0 0 10 -70,-0.2 4,-1.7 2,-0.2 -69,-0.3 0.974 112.6 40.0 -60.2 -48.5 38.5 12.5 3.2 80 80 A I H > S+ 0 0 2 -71,-0.4 4,-2.5 1,-0.2 5,-0.3 0.932 118.0 43.7 -63.9 -55.2 35.5 10.3 2.4 81 81 A L H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.816 114.5 50.0 -65.5 -35.2 36.7 8.5 -0.7 82 82 A S H X S+ 0 0 26 -4,-2.0 4,-1.5 -5,-0.2 -1,-0.2 0.892 114.6 44.2 -68.7 -42.7 40.2 7.8 0.7 83 83 A A H X S+ 0 0 0 -4,-1.7 4,-2.8 -5,-0.3 -2,-0.2 0.857 115.9 46.3 -69.5 -40.8 38.7 6.3 4.0 84 84 A Q H X S+ 0 0 0 -4,-2.5 4,-3.0 -76,-0.2 -2,-0.2 0.892 113.0 49.2 -71.5 -40.3 36.0 4.3 2.2 85 85 A K H X S+ 0 0 91 -4,-1.8 4,-1.0 -5,-0.3 -1,-0.2 0.879 113.8 49.4 -62.3 -39.4 38.5 2.9 -0.4 86 86 A F H < S+ 0 0 11 -4,-1.5 3,-0.3 2,-0.2 -2,-0.2 0.931 114.8 41.6 -63.0 -52.0 40.7 2.1 2.6 87 87 A M H >< S+ 0 0 0 -4,-2.8 3,-2.0 1,-0.2 -2,-0.2 0.865 105.8 64.0 -64.3 -42.6 37.9 0.3 4.6 88 88 A A H 3< S+ 0 0 21 -4,-3.0 41,-0.4 1,-0.3 -1,-0.2 0.865 102.8 50.6 -52.5 -36.1 36.5 -1.5 1.5 89 89 A K T 3< S+ 0 0 105 -4,-1.0 2,-0.4 -3,-0.3 -1,-0.3 0.269 84.3 103.3 -88.8 8.6 39.8 -3.4 1.2 90 90 A Y < - 0 0 4 -3,-2.0 40,-0.2 1,-0.1 39,-0.1 -0.767 59.1-153.4 -89.6 136.4 40.0 -4.6 4.8 91 91 A K + 0 0 171 -2,-0.4 -1,-0.1 39,-0.1 2,-0.1 0.732 66.6 55.4 -84.9 -19.4 39.1 -8.3 5.2 92 92 A S S S- 0 0 62 1,-0.2 2,-0.1 38,-0.1 -2,-0.1 -0.172 96.3 -52.0-104.8-168.9 37.8 -8.4 8.9 93 93 A K - 0 0 38 37,-0.1 -31,-0.8 39,-0.1 2,-0.5 -0.395 45.4-141.7 -72.0 144.6 35.2 -6.7 11.1 94 94 A I E -de 62 132A 0 37,-2.3 39,-3.7 -33,-0.1 2,-0.9 -0.904 2.7-146.2-110.9 126.2 35.0 -2.9 11.4 95 95 A Y E -de 63 133A 8 -33,-2.7 -31,-2.9 -2,-0.5 2,-0.7 -0.818 17.3-162.4 -96.0 106.3 34.3 -1.1 14.7 96 96 A Y E -de 64 134A 0 37,-3.5 39,-2.9 -2,-0.9 2,-0.7 -0.829 10.0-142.6 -94.2 115.2 32.3 2.0 13.9 97 97 A L E -de 65 135A 0 -33,-3.6 -31,-2.3 -2,-0.7 2,-1.0 -0.683 10.4-163.4 -83.4 112.5 32.2 4.6 16.6 98 98 A F E + e 0 136A 0 37,-3.0 39,-2.6 -2,-0.7 40,-0.3 -0.773 33.8 142.8 -99.1 88.7 28.7 6.3 16.8 99 99 A T + 0 0 9 -2,-1.0 2,-0.5 1,-0.2 -1,-0.2 0.652 66.0 51.0 -99.4 -26.2 29.3 9.4 18.9 100 100 A D S > S- 0 0 17 -3,-0.2 3,-2.4 3,-0.1 -1,-0.2 -0.972 72.3-146.3-118.9 121.3 26.9 11.7 16.9 101 101 A I T 3 S+ 0 0 19 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.645 98.9 62.3 -60.0 -12.0 23.3 10.4 16.3 102 102 A R T 3 S+ 0 0 80 1,-0.2 -1,-0.3 -36,-0.0 -4,-0.0 0.373 92.2 64.4 -94.0 2.0 23.5 12.3 13.0 103 103 A L < + 0 0 29 -3,-2.4 -36,-0.5 -35,-0.1 -1,-0.2 -0.337 62.5 171.2-126.4 57.5 26.3 10.3 11.5 104 104 A P - 0 0 35 0, 0.0 -37,-0.2 0, 0.0 2,-0.1 -0.157 51.1 -88.2 -57.5 156.3 25.2 6.6 10.9 105 105 A F + 0 0 1 -9,-0.1 2,-0.3 -39,-0.1 46,-0.1 -0.493 60.7 175.7 -64.4 142.7 27.6 4.4 8.9 106 106 A S - 0 0 27 -39,-0.2 2,-0.4 -2,-0.1 45,-0.0 -0.978 31.2-113.7-155.1 147.9 26.6 4.9 5.4 107 107 A Q - 0 0 15 -2,-0.3 4,-0.4 1,-0.1 20,-0.1 -0.745 15.9-161.6 -88.8 129.8 27.9 3.7 2.0 108 108 A S S >> S+ 0 0 0 -2,-0.4 4,-1.8 18,-0.4 3,-0.5 0.744 76.4 80.8 -85.2 -27.1 29.3 6.3 -0.4 109 109 A W H 3> S+ 0 0 42 17,-0.4 4,-3.9 1,-0.2 5,-0.2 0.887 88.4 58.0 -46.6 -46.2 29.2 4.3 -3.6 110 110 A P H 3> S+ 0 0 56 0, 0.0 4,-0.8 0, 0.0 -1,-0.2 0.916 112.2 41.5 -50.1 -49.4 25.4 5.1 -4.0 111 111 A N H X> S+ 0 0 48 -3,-0.5 3,-2.6 -4,-0.4 4,-0.8 0.998 120.0 41.0 -56.5 -73.3 26.3 8.8 -4.0 112 112 A V H >< S+ 0 0 0 -4,-1.8 3,-1.3 1,-0.3 -3,-0.2 0.818 103.4 69.2 -42.7 -51.7 29.3 8.7 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H H < S+ 0 0 165 -4,-1.7 2,-0.6 -5,-0.3 -2,-0.2 0.841 113.6 44.0 -83.3 -41.8 23.7 36.0 44.3 316 316 A S >X + 0 0 38 -4,-2.7 4,-1.8 1,-0.2 3,-0.5 -0.834 52.1 178.8-114.3 99.4 25.2 33.2 46.4 317 317 A D H 3> S+ 0 0 84 -2,-0.6 4,-3.0 1,-0.3 5,-0.3 0.853 88.4 59.8 -62.3 -33.2 28.9 32.6 45.9 318 318 A V H 3> S+ 0 0 101 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.869 106.6 45.5 -59.7 -41.4 28.6 29.9 48.6 319 319 A L H <> S+ 0 0 16 -3,-0.5 4,-1.8 -7,-0.2 -1,-0.2 0.798 112.6 51.9 -73.2 -34.0 26.0 28.1 46.4 320 320 A R H X S+ 0 0 28 -4,-1.8 4,-1.8 -7,-0.3 5,-0.2 0.957 113.6 41.3 -66.9 -51.7 28.1 28.5 43.3 321 321 A K H X S+ 0 0 116 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.903 113.4 56.3 -63.4 -38.8 31.3 27.0 44.9 322 322 A E H X S+ 0 0 80 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.911 109.1 44.5 -60.3 -46.5 29.2 24.3 46.6 323 323 A M H X S+ 0 0 0 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.815 112.3 50.1 -69.4 -34.5 27.7 23.1 43.3 324 324 A L H X S+ 0 0 9 -4,-1.8 4,-2.2 2,-0.2 5,-0.2 0.887 110.6 52.7 -67.4 -44.3 31.1 23.1 41.4 325 325 A S H X S+ 0 0 59 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.904 110.0 47.8 -55.1 -43.9 32.5 21.2 44.2 326 326 A I H X S+ 0 0 41 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.932 114.0 45.1 -63.8 -50.7 29.6 18.6 43.9 327 327 A Q H X S+ 0 0 0 -4,-2.4 4,-1.3 2,-0.2 -1,-0.2 0.805 113.1 50.6 -63.3 -36.4 30.0 18.2 40.2 328 328 A H H X S+ 0 0 30 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.929 114.3 45.2 -64.7 -50.4 33.8 18.0 40.4 329 329 A D H X S+ 0 0 106 -4,-2.3 4,-1.3 1,-0.2 3,-0.4 0.940 112.7 49.8 -57.0 -51.4 33.4 15.3 43.1 330 330 A I H X S+ 0 0 52 -4,-3.0 4,-0.7 1,-0.2 -1,-0.2 0.794 107.5 56.1 -60.7 -29.0 30.8 13.5 41.1 331 331 A L H >X S+ 0 0 0 -4,-1.3 4,-1.6 1,-0.2 3,-0.6 0.870 104.7 52.4 -69.7 -40.2 33.0 13.5 38.0 332 332 A N H 3X S+ 0 0 51 -4,-1.6 4,-1.8 -3,-0.4 -2,-0.2 0.764 95.3 66.6 -69.7 -26.5 35.8 11.8 39.9 333 333 A K H 3< S+ 0 0 116 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 106.8 43.9 -62.9 -30.9 33.6 9.0 41.1 334 334 A T H X< S+ 0 0 14 -4,-0.7 3,-2.1 -3,-0.6 -2,-0.2 0.870 109.9 54.5 -78.5 -44.0 33.4 7.9 37.4 335 335 A R H >< S+ 0 0 75 -4,-1.6 3,-1.7 1,-0.3 -2,-0.2 0.804 95.2 68.5 -60.7 -26.4 37.1 8.5 36.8 336 336 A A T 3< S+ 0 0 81 -4,-1.8 3,-0.3 1,-0.3 -1,-0.3 0.686 96.9 55.9 -63.4 -19.5 37.7 6.1 39.7 337 337 A K T <> + 0 0 88 -3,-2.1 4,-1.5 1,-0.2 -1,-0.3 -0.058 69.0 122.5-102.5 27.3 36.3 3.5 37.2 338 338 A K H <> S+ 0 0 53 -3,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.861 73.8 50.7 -56.6 -39.2 38.9 4.3 34.6 339 339 A A H > S+ 0 0 49 -3,-0.3 4,-3.1 2,-0.2 3,-0.3 0.960 107.4 50.3 -66.5 -51.8 40.1 0.6 34.5 340 340 A E H > S+ 0 0 112 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.777 111.5 50.9 -57.7 -28.4 36.6 -0.9 34.1 341 341 A W H X S+ 0 0 18 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.834 109.5 49.7 -76.7 -35.0 36.1 1.5 31.2 342 342 A Q H X S+ 0 0 36 -4,-1.6 4,-2.0 -3,-0.3 -2,-0.2 0.943 113.6 46.8 -68.1 -46.4 39.4 0.5 29.6 343 343 A D H X S+ 0 0 105 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.927 112.4 48.9 -60.4 -47.8 38.3 -3.2 30.0 344 344 A A H X S+ 0 0 36 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.833 110.2 51.8 -60.6 -39.0 34.9 -2.6 28.6 345 345 A F H X S+ 0 0 5 -4,-1.9 4,-1.1 2,-0.2 -1,-0.2 0.891 110.8 47.8 -63.8 -43.6 36.3 -0.7 25.6 346 346 A K H ><>S+ 0 0 50 -4,-2.0 3,-1.4 2,-0.2 5,-1.1 0.978 111.6 48.9 -60.2 -57.0 38.7 -3.7 24.9 347 347 A K H ><5S+ 0 0 129 -4,-2.6 3,-2.5 1,-0.3 -2,-0.2 0.924 108.7 56.7 -47.4 -49.3 35.9 -6.2 25.2 348 348 A A H 3<5S+ 0 0 0 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.757 109.3 43.4 -54.8 -36.4 33.9 -3.9 22.9 349 349 A I T <<5S- 0 0 0 -3,-1.4 -1,-0.3 -4,-1.1 -2,-0.2 0.141 128.5 -99.5 -98.8 19.5 36.6 -4.1 20.2 350 350 A D T < 5 0 0 65 -3,-2.5 -3,-0.2 1,-0.1 -2,-0.2 0.907 360.0 360.0 64.8 58.8 36.9 -7.9 20.8 351 351 A L < 0 0 94 -5,-1.1 -1,-0.1 -8,-0.2 -5,-0.0 -0.334 360.0 360.0-137.1 360.0 39.9 -8.1 23.1