==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 03-JUL-01 1JIX . COMPND 2 MOLECULE: DNA BETA-GLUCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR S.MORERA,L.LARIVIERE,J.KURZECK,U.ASCHKE-SONNENBORN, . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16330.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 236 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 55 15.7 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 . 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 . 27 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 52 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 87 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 3 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 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 . 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 98 0, 0.0 35,-0.6 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 102.9 -7.0 -9.5 1.6 2 2 A K E -a 36 0A 90 56,-0.1 58,-2.7 33,-0.1 59,-1.3 -0.957 360.0-162.7-116.1 124.2 -4.5 -11.8 3.4 3 3 A I E -ab 37 61A 0 33,-3.0 35,-2.2 -2,-0.5 2,-0.4 -0.843 5.6-163.5-109.8 142.0 -1.4 -10.4 5.1 4 4 A A E -ab 38 62A 0 57,-2.3 59,-3.2 -2,-0.4 2,-0.4 -0.977 6.3-170.5-121.3 134.6 1.8 -12.1 6.1 5 5 A I E +ab 39 63A 0 33,-2.6 35,-2.1 -2,-0.4 2,-0.3 -0.981 10.1 171.6-125.2 139.2 4.2 -10.5 8.6 6 6 A I E - b 0 64A 0 57,-2.2 59,-3.0 -2,-0.4 2,-0.5 -0.947 34.0-121.2-141.2 161.4 7.7 -11.9 9.3 7 7 A N E - b 0 65A 7 33,-0.5 3,-0.2 -2,-0.3 59,-0.1 -0.922 23.5-143.2-102.9 129.3 10.8 -10.9 11.2 8 8 A M S S+ 0 0 0 57,-2.2 76,-0.2 -2,-0.5 75,-0.2 0.644 87.4 8.2 -71.1 -14.0 13.8 -10.7 8.8 9 9 A G S S+ 0 0 6 56,-0.2 2,-0.3 1,-0.2 71,-0.3 0.312 110.6 70.5-152.9 18.7 16.4 -12.1 11.2 10 10 A N S S- 0 0 63 69,-0.3 -3,-0.2 -3,-0.2 -1,-0.2 -1.000 74.2-112.5-142.1 140.2 15.0 -13.4 14.5 11 11 A N - 0 0 63 -2,-0.3 2,-0.5 30,-0.1 9,-0.1 -0.375 29.1-144.5 -68.5 147.8 12.9 -16.4 15.5 12 12 A V + 0 0 2 1,-0.1 31,-0.3 31,-0.1 3,-0.1 -0.972 45.9 124.6-120.1 121.0 9.4 -15.6 16.6 13 13 A I S S- 0 0 92 -2,-0.5 34,-0.5 1,-0.5 2,-0.2 0.494 70.6 -37.6-135.3 -64.2 7.8 -17.8 19.4 14 14 A N S > S- 0 0 52 32,-0.1 3,-0.5 33,-0.1 -1,-0.5 -0.603 74.9 -65.1-146.9-152.1 6.5 -15.8 22.4 15 15 A F T 3 S+ 0 0 37 1,-0.2 225,-0.4 -2,-0.2 226,-0.3 0.220 98.6 97.2 -97.1 17.0 7.3 -12.8 24.6 16 16 A K T 3 S+ 0 0 168 223,-0.1 2,-0.3 224,-0.1 -1,-0.2 0.643 88.1 43.0 -77.3 -14.4 10.5 -14.3 26.1 17 17 A T S <> S- 0 0 70 -3,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.960 80.8-129.5-130.4 149.9 12.6 -12.4 23.5 18 18 A V H > S+ 0 0 65 -2,-0.3 4,-3.0 2,-0.2 5,-0.3 0.941 104.4 48.3 -65.9 -53.2 12.3 -8.8 22.3 19 19 A P H > S+ 0 0 34 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.891 115.3 48.3 -56.3 -37.8 12.3 -9.2 18.5 20 20 A S H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.936 110.9 50.7 -65.6 -47.0 9.7 -11.9 18.9 21 21 A S H X S+ 0 0 0 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.933 110.2 49.2 -56.1 -49.9 7.6 -9.7 21.2 22 22 A E H X S+ 0 0 50 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.889 111.4 49.1 -59.0 -40.8 7.7 -6.8 18.7 23 23 A T H X S+ 0 0 0 -4,-1.9 4,-2.2 -5,-0.3 -1,-0.2 0.899 113.2 46.7 -67.5 -39.4 6.6 -9.0 15.9 24 24 A I H X S+ 0 0 0 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.874 110.1 53.2 -70.1 -37.4 3.8 -10.5 17.9 25 25 A Y H X S+ 0 0 24 -4,-2.8 4,-2.6 -5,-0.2 5,-0.2 0.913 111.2 46.8 -62.5 -42.4 2.6 -7.0 19.0 26 26 A L H X S+ 0 0 7 -4,-2.1 4,-2.3 2,-0.2 5,-0.3 0.914 110.8 52.0 -65.7 -41.6 2.5 -5.9 15.4 27 27 A F H X S+ 0 0 38 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.936 113.3 46.0 -58.3 -45.9 0.6 -9.0 14.4 28 28 A K H X S+ 0 0 66 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.904 112.2 47.7 -65.6 -44.0 -1.9 -8.3 17.2 29 29 A V H < S+ 0 0 5 -4,-2.6 4,-0.5 2,-0.2 -1,-0.2 0.855 112.8 49.3 -69.3 -32.3 -2.3 -4.6 16.5 30 30 A I H ><>S+ 0 0 1 -4,-2.3 5,-1.5 -5,-0.2 3,-0.8 0.894 112.3 48.6 -70.8 -38.8 -2.8 -5.3 12.7 31 31 A S H ><5S+ 0 0 42 -4,-2.0 3,-1.5 -5,-0.3 -2,-0.2 0.875 105.4 59.5 -66.9 -36.7 -5.3 -8.0 13.7 32 32 A E T 3<5S+ 0 0 66 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.619 96.7 60.2 -69.4 -13.1 -7.1 -5.6 16.0 33 33 A M T < 5S- 0 0 13 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.144 127.6 -96.1 -99.6 20.6 -7.8 -3.2 13.1 34 34 A G T < 5S+ 0 0 69 -3,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.610 79.7 136.5 80.9 15.9 -9.8 -5.9 11.4 35 35 A L < - 0 0 29 -5,-1.5 2,-0.8 -33,-0.0 -1,-0.2 -0.684 55.9-123.7 -98.5 150.2 -7.1 -7.3 9.1 36 36 A N E +a 2 0A 95 -35,-0.6 -33,-3.0 -2,-0.3 2,-0.4 -0.805 45.7 163.5 -92.2 107.5 -6.4 -10.9 8.3 37 37 A V E -a 3 0A 8 -2,-0.8 2,-0.4 -35,-0.2 -33,-0.2 -0.962 24.2-166.3-132.5 145.7 -2.7 -11.5 9.2 38 38 A D E -a 4 0A 32 -35,-2.2 -33,-2.6 -2,-0.4 2,-0.5 -0.959 19.1-136.0-124.0 144.6 -0.4 -14.5 9.8 39 39 A I E -ac 5 48A 2 8,-0.7 10,-2.1 -2,-0.4 2,-0.5 -0.881 20.3-157.8 -98.0 130.2 3.0 -14.4 11.3 40 40 A I E + c 0 49A 0 -35,-2.1 -33,-0.5 -2,-0.5 2,-0.2 -0.947 26.6 147.3-111.3 128.1 5.4 -16.7 9.4 41 41 A S E - c 0 50A 5 8,-3.0 10,-1.8 -2,-0.5 -30,-0.1 -0.667 61.3 -67.6-139.7-165.1 8.5 -18.0 11.2 42 42 A L S S+ 0 0 41 8,-0.2 10,-0.3 -2,-0.2 2,-0.3 0.881 109.6 6.1 -60.9 -43.3 10.8 -21.0 11.4 43 43 A K S S- 0 0 165 -31,-0.3 -2,-0.2 7,-0.1 -31,-0.1 -0.869 86.6 -83.7-137.7 170.1 8.3 -23.4 12.9 44 44 A N + 0 0 87 -2,-0.3 2,-0.3 -4,-0.1 5,-0.2 -0.409 59.1 145.2 -70.8 151.4 4.6 -23.7 13.8 45 45 A G - 0 0 44 3,-2.1 -32,-0.1 1,-0.1 -31,-0.0 -0.932 63.6 -64.5-167.2-173.2 3.7 -22.2 17.2 46 46 A V S S+ 0 0 128 -2,-0.3 -1,-0.1 1,-0.2 -32,-0.1 0.929 134.4 17.3 -53.6 -48.0 1.0 -20.4 19.1 47 47 A Y S S+ 0 0 66 -34,-0.5 -8,-0.7 -35,-0.1 2,-0.3 0.460 119.7 70.8-105.8 -2.3 1.4 -17.3 17.0 48 48 A T E -c 39 0A 11 -10,-0.1 -3,-2.1 -35,-0.1 2,-0.3 -0.827 51.3-156.1-128.1 160.7 3.2 -18.6 13.9 49 49 A K E -c 40 0A 89 -10,-2.1 -8,-3.0 -2,-0.3 2,-0.3 -0.808 40.6-102.0-117.0 159.2 3.1 -20.8 10.8 50 50 A S E > -c 41 0A 7 -2,-0.3 3,-1.8 -10,-0.2 4,-0.4 -0.625 11.4-132.5 -90.6 145.2 6.2 -22.2 9.2 51 51 A F G > S+ 0 0 16 -10,-1.8 3,-0.9 1,-0.3 5,-0.2 0.880 110.8 54.6 -56.0 -38.7 8.0 -20.9 6.1 52 52 A D G 3 S+ 0 0 137 -10,-0.3 -1,-0.3 1,-0.2 -10,-0.1 0.481 107.1 50.4 -76.2 -3.7 8.1 -24.5 4.8 53 53 A E G < S+ 0 0 131 -3,-1.8 2,-0.3 2,-0.0 -1,-0.2 0.330 104.0 56.8-118.1 6.8 4.3 -24.9 5.2 54 54 A V S < S- 0 0 34 -3,-0.9 2,-0.7 -4,-0.4 3,-0.1 -0.953 73.8-124.1-136.9 156.5 2.9 -21.9 3.4 55 55 A D > - 0 0 82 -2,-0.3 3,-2.7 1,-0.1 4,-0.3 -0.899 16.9-150.0-101.1 113.2 3.2 -20.3 -0.1 56 56 A V G > S+ 0 0 5 -2,-0.7 3,-1.3 1,-0.3 -1,-0.1 0.808 95.7 61.7 -52.8 -30.3 4.4 -16.7 0.3 57 57 A N G 3 S+ 0 0 55 1,-0.3 -1,-0.3 32,-0.1 5,-0.0 0.384 82.8 76.9 -81.3 7.4 2.5 -15.8 -2.8 58 58 A D G < S+ 0 0 101 -3,-2.7 2,-0.3 2,-0.0 -1,-0.3 0.531 85.8 82.2 -87.4 -7.6 -0.8 -16.8 -1.2 59 59 A Y < - 0 0 19 -3,-1.3 -56,-0.2 -4,-0.3 3,-0.1 -0.751 68.3-153.5-100.1 145.0 -0.6 -13.5 0.6 60 60 A D S S+ 0 0 59 -58,-2.7 2,-0.3 -2,-0.3 -57,-0.2 0.644 85.4 29.1 -88.6 -20.1 -1.6 -10.1 -0.9 61 61 A R E -b 3 0A 49 -59,-1.3 -57,-2.3 31,-0.1 2,-0.5 -0.995 65.5-158.6-142.9 135.8 0.8 -8.1 1.3 62 62 A L E -bd 4 94A 0 31,-0.8 33,-2.8 -2,-0.3 2,-0.5 -0.972 11.5-169.1-118.7 117.2 4.2 -9.1 2.8 63 63 A I E -bd 5 95A 0 -59,-3.2 -57,-2.2 -2,-0.5 2,-0.5 -0.910 2.6-163.7-108.5 131.8 5.3 -7.1 5.8 64 64 A V E -bd 6 96A 0 31,-3.2 33,-3.2 -2,-0.5 2,-0.4 -0.961 12.5-143.2-122.7 122.4 8.8 -7.5 7.1 65 65 A V E -bd 7 97A 4 -59,-3.0 -57,-2.2 -2,-0.5 -56,-0.2 -0.672 37.5-106.5 -79.7 130.3 10.1 -6.3 10.5 66 66 A N + 0 0 9 31,-2.0 2,-0.3 -2,-0.4 -57,-0.2 -0.151 48.2 162.5 -60.2 150.3 13.6 -5.0 10.2 67 67 A S - 0 0 3 36,-0.3 2,-0.1 -59,-0.1 -57,-0.0 -0.973 41.6 -93.8-159.2 164.4 16.5 -6.9 11.6 68 68 A S - 0 0 49 -2,-0.3 35,-0.1 1,-0.1 37,-0.0 -0.478 23.6-158.4 -78.7 157.6 20.3 -7.2 11.4 69 69 A I + 0 0 10 -2,-0.1 2,-0.1 38,-0.1 -1,-0.1 0.152 45.1 132.3-122.7 15.7 21.6 -9.7 8.8 70 70 A N - 0 0 82 1,-0.0 2,-0.4 10,-0.0 10,-0.1 -0.409 47.4-141.4 -71.9 144.1 25.0 -10.2 10.4 71 71 A F + 0 0 11 40,-0.1 2,-0.3 -2,-0.1 -2,-0.1 -0.907 22.5 175.7-109.9 132.7 26.3 -13.7 10.8 72 72 A F - 0 0 167 -2,-0.4 2,-0.3 3,-0.2 -2,-0.0 -0.987 44.4 -0.1-136.2 146.3 28.3 -14.7 13.9 73 73 A G S S- 0 0 80 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.597 96.4 -48.2 87.1-140.8 29.7 -18.0 15.2 74 74 A G S S+ 0 0 58 -2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.769 100.4 55.9-101.1 -92.5 29.4 -21.4 13.5 75 75 A K S S- 0 0 186 1,-0.1 -3,-0.2 2,-0.0 -1,-0.1 -0.038 91.4 -91.0 -50.4 144.4 26.2 -22.8 12.1 76 76 A P - 0 0 28 0, 0.0 2,-1.2 0, 0.0 -1,-0.1 -0.294 37.6-118.9 -57.8 134.4 24.2 -20.8 9.6 77 77 A N >> - 0 0 65 1,-0.2 4,-2.1 -3,-0.1 3,-0.9 -0.662 28.0-171.7 -80.5 99.3 21.6 -18.5 11.2 78 78 A L H 3>>S+ 0 0 88 -2,-1.2 4,-2.5 1,-0.2 5,-0.5 0.731 78.2 70.8 -64.4 -23.3 18.3 -19.9 9.7 79 79 A A H 3>5S+ 0 0 9 -70,-0.2 4,-0.6 2,-0.2 -69,-0.3 0.908 110.8 32.1 -60.4 -39.5 16.3 -17.0 11.1 80 80 A I H <>5S+ 0 0 3 -3,-0.9 4,-2.3 -71,-0.3 5,-0.2 0.943 122.7 46.3 -79.6 -53.9 18.0 -14.7 8.6 81 81 A L H X5S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 5,-0.2 0.889 113.2 46.4 -59.5 -46.5 18.4 -17.2 5.7 82 82 A S H X5S+ 0 0 21 -4,-2.5 4,-2.0 1,-0.2 -1,-0.2 0.870 112.0 52.8 -68.1 -33.8 15.0 -18.7 5.7 83 83 A A H XX S+ 0 0 10 -4,-2.0 3,-0.7 1,-0.2 4,-0.6 0.932 113.0 47.1 -62.7 -47.2 10.9 -16.6 1.8 87 87 A M H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 43,-0.2 0.881 105.7 59.2 -62.9 -40.1 11.1 -12.9 0.7 88 88 A A H 3< S+ 0 0 28 -4,-2.6 41,-0.3 1,-0.3 -1,-0.2 0.736 103.0 53.7 -62.6 -24.1 13.0 -13.8 -2.5 89 89 A K H << S+ 0 0 124 -4,-0.9 -1,-0.3 -3,-0.7 2,-0.2 0.659 84.5 102.9 -85.6 -17.0 10.1 -16.0 -3.6 90 90 A Y << - 0 0 7 -3,-1.0 40,-0.2 -4,-0.6 39,-0.2 -0.478 55.6-161.2 -70.4 134.3 7.5 -13.2 -3.2 91 91 A K + 0 0 176 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.349 64.6 59.2 -99.2 4.7 6.4 -11.7 -6.5 92 92 A S S S- 0 0 58 1,-0.1 2,-0.1 38,-0.1 -31,-0.1 -0.532 98.4 -53.8-121.4-170.4 4.9 -8.4 -5.2 93 93 A K - 0 0 34 -2,-0.2 -31,-0.8 37,-0.1 2,-0.4 -0.407 47.0-143.1 -71.0 139.9 5.9 -5.4 -3.2 94 94 A I E -de 62 132A 0 37,-2.4 39,-3.0 -2,-0.1 2,-0.7 -0.877 4.0-146.2-105.4 133.8 7.5 -5.9 0.2 95 95 A Y E -de 63 133A 9 -33,-2.8 -31,-3.2 -2,-0.4 2,-0.6 -0.888 14.4-160.0-103.0 111.7 6.8 -3.5 3.0 96 96 A Y E -de 64 134A 0 37,-2.7 39,-2.8 -2,-0.7 2,-1.0 -0.827 9.9-144.1 -97.7 116.2 9.8 -3.1 5.3 97 97 A L E -de 65 135A 0 -33,-3.2 -31,-2.0 -2,-0.6 2,-1.0 -0.696 15.5-166.1 -83.2 105.5 9.1 -1.8 8.8 98 98 A F E + e 0 136A 0 37,-2.3 39,-2.4 -2,-1.0 40,-0.3 -0.761 30.6 144.8 -97.1 89.7 12.1 0.4 9.6 99 99 A T + 0 0 28 -2,-1.0 2,-0.4 1,-0.2 -1,-0.2 0.563 63.0 51.7-102.3 -13.2 12.0 1.1 13.3 100 100 A D S > S- 0 0 20 -3,-0.2 3,-2.6 3,-0.1 -1,-0.2 -0.981 70.4-145.6-131.8 118.9 15.7 1.1 14.0 101 101 A I T 3 S+ 0 0 22 -2,-0.4 -1,-0.1 1,-0.3 -3,-0.0 0.771 100.1 58.4 -52.0 -29.9 18.1 3.3 12.1 102 102 A R T 3 S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.1 -35,-0.0 0.534 97.3 65.6 -80.0 -4.8 20.9 0.6 12.3 103 103 A L < + 0 0 30 -3,-2.6 -36,-0.3 -35,-0.1 -1,-0.2 -0.297 63.3 160.3-116.4 51.2 18.7 -2.0 10.6 104 104 A P - 0 0 32 0, 0.0 -37,-0.1 0, 0.0 2,-0.1 -0.289 54.4 -86.2 -67.8 156.3 18.1 -1.0 7.0 105 105 A F + 0 0 0 -9,-0.1 2,-0.3 -39,-0.1 49,-0.1 -0.400 59.1 170.5 -61.9 137.6 17.1 -3.6 4.5 106 106 A S - 0 0 24 -3,-0.1 2,-0.3 -2,-0.1 45,-0.1 -0.985 36.8-106.8-149.0 152.8 20.1 -5.3 3.1 107 107 A Q - 0 0 24 -2,-0.3 4,-0.4 1,-0.1 20,-0.1 -0.661 19.3-156.0 -81.9 135.1 20.8 -8.4 0.9 108 108 A S S >> S+ 0 0 0 -2,-0.3 3,-1.1 18,-0.3 4,-0.7 0.782 78.9 80.9 -81.7 -27.4 22.3 -11.3 2.8 109 109 A W H >> S+ 0 0 38 1,-0.3 4,-2.9 2,-0.2 3,-1.9 0.881 88.0 53.6 -46.3 -52.0 23.9 -12.9 -0.3 110 110 A P H 34 S+ 0 0 65 0, 0.0 4,-0.3 0, 0.0 -1,-0.3 0.856 112.8 45.6 -54.2 -34.5 27.0 -10.7 -0.2 111 111 A N H <4 S+ 0 0 64 -3,-1.1 -2,-0.2 -4,-0.4 -40,-0.1 0.468 118.7 43.4 -86.9 -3.2 27.5 -11.6 3.4 112 112 A V H X< S+ 0 0 0 -3,-1.9 3,-3.0 -4,-0.7 6,-0.2 0.815 94.4 71.0-105.1 -49.2 27.0 -15.3 2.7 113 113 A K T 3< S+ 0 0 109 -4,-2.9 -2,-0.1 1,-0.3 -4,-0.1 0.646 103.8 45.5 -45.2 -24.0 28.9 -16.0 -0.6 114 114 A N T 3 S+ 0 0 138 -4,-0.3 -1,-0.3 -5,-0.2 -2,-0.1 0.485 90.4 105.5-101.5 -4.7 32.2 -15.7 1.3 115 115 A R S X S- 0 0 88 -3,-3.0 3,-1.7 1,-0.1 4,-0.2 -0.339 81.6-118.1 -72.8 155.5 31.3 -17.8 4.3 116 116 A P T 3 S+ 0 0 118 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.771 118.7 48.3 -65.8 -22.7 32.7 -21.4 4.7 117 117 A W T > S+ 0 0 25 1,-0.2 3,-2.1 -5,-0.1 4,-0.2 0.231 76.8 112.5 -99.7 13.5 29.1 -22.6 4.5 118 118 A A G X + 0 0 15 -3,-1.7 3,-2.3 1,-0.3 -1,-0.2 0.809 62.2 72.5 -54.6 -33.6 28.3 -20.6 1.4 119 119 A Y G 3 S+ 0 0 183 -3,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.672 83.2 70.0 -58.8 -17.7 27.9 -23.7 -0.7 120 120 A L G < S+ 0 0 91 -3,-2.1 -1,-0.3 2,-0.0 2,-0.3 0.642 104.8 41.4 -75.8 -12.9 24.6 -24.5 1.1 121 121 A Y < - 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0 0 42 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 -0.879 53.3-179.2-123.2 103.4 7.9 17.7 46.1 317 317 A D H > S+ 0 0 78 -2,-0.5 4,-2.7 1,-0.2 5,-0.2 0.819 89.4 57.4 -65.0 -30.8 5.4 14.7 45.8 318 318 A V H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.917 105.2 48.9 -67.1 -42.8 2.8 17.2 44.5 319 319 A L H > S+ 0 0 29 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.932 112.7 49.9 -60.5 -44.1 5.1 18.3 41.6 320 320 A R H X S+ 0 0 34 -4,-1.9 4,-2.4 -7,-0.3 -2,-0.2 0.939 113.2 43.7 -59.9 -50.6 5.7 14.7 40.8 321 321 A K H X S+ 0 0 114 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.850 112.5 54.5 -65.3 -33.0 2.1 13.8 40.7 322 322 A E H X S+ 0 0 93 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.942 110.6 44.3 -65.6 -48.2 1.2 16.9 38.8 323 323 A M H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.898 112.1 53.0 -64.8 -39.6 3.7 16.1 36.1 324 324 A L H X S+ 0 0 12 -4,-2.4 4,-2.3 1,-0.2 5,-0.2 0.920 108.1 50.9 -61.3 -42.3 2.6 12.5 36.0 325 325 A S H X S+ 0 0 80 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.900 110.4 50.5 -61.7 -39.5 -1.0 13.6 35.5 326 326 A I H X S+ 0 0 46 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.943 111.7 45.3 -64.7 -48.5 0.1 15.9 32.6 327 327 A Q H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.854 112.4 51.3 -67.2 -32.3 2.0 13.1 30.8 328 328 A H H X S+ 0 0 30 -4,-2.3 4,-2.2 -5,-0.2 -1,-0.2 0.889 109.8 51.4 -70.0 -36.1 -0.8 10.6 31.2 329 329 A D H X S+ 0 0 77 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.938 110.7 46.4 -63.9 -48.4 -3.2 13.2 29.8 330 330 A I H X S+ 0 0 45 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.860 110.1 55.0 -63.3 -35.6 -1.1 13.9 26.8 331 331 A L H >X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 3,-0.7 0.951 107.5 49.3 -62.0 -47.7 -0.7 10.1 26.3 332 332 A N H 3X S+ 0 0 64 -4,-2.2 4,-1.7 1,-0.3 -1,-0.2 0.828 103.1 61.6 -61.1 -32.5 -4.5 9.7 26.2 333 333 A K H 3< S+ 0 0 106 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.874 107.8 43.8 -62.2 -36.2 -4.8 12.5 23.7 334 334 A T H X< S+ 0 0 29 -4,-1.3 3,-1.6 -3,-0.7 -2,-0.2 0.865 109.8 55.3 -76.3 -35.4 -2.7 10.4 21.3 335 335 A R H >< S+ 0 0 88 -4,-2.0 3,-1.4 1,-0.3 -2,-0.2 0.797 98.1 64.7 -66.5 -25.1 -4.6 7.3 22.1 336 336 A A T 3< S+ 0 0 82 -4,-1.7 -1,-0.3 1,-0.3 3,-0.3 0.590 96.1 59.0 -72.7 -9.2 -7.8 9.2 21.2 337 337 A K T <> + 0 0 132 -3,-1.6 4,-2.1 1,-0.2 3,-0.3 0.090 67.3 119.2-105.7 21.6 -6.4 9.3 17.6 338 338 A K H <> S+ 0 0 71 -3,-1.4 4,-3.1 1,-0.2 5,-0.2 0.894 71.0 56.0 -53.5 -45.3 -6.2 5.6 17.2 339 339 A A H > S+ 0 0 50 -3,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.911 108.9 46.9 -55.5 -44.9 -8.6 5.6 14.3 340 340 A E H > S+ 0 0 121 -3,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.897 112.6 50.3 -64.0 -40.8 -6.5 8.0 12.4 341 341 A W H X S+ 0 0 15 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.927 111.0 48.5 -63.4 -46.3 -3.3 6.0 13.2 342 342 A Q H X S+ 0 0 34 -4,-3.1 4,-2.4 1,-0.2 -2,-0.2 0.923 111.4 49.4 -61.4 -45.1 -5.0 2.8 12.0 343 343 A D H X S+ 0 0 102 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.879 110.0 51.8 -63.1 -35.9 -6.1 4.4 8.7 344 344 A A H X S+ 0 0 40 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.874 108.9 50.3 -68.5 -36.7 -2.7 5.8 8.1 345 345 A F H X S+ 0 0 8 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.946 110.1 49.8 -65.8 -46.4 -1.1 2.3 8.6 346 346 A K H <>S+ 0 0 57 -4,-2.4 5,-2.9 1,-0.2 3,-0.3 0.919 111.5 49.3 -57.5 -42.5 -3.6 0.8 6.2 347 347 A K H ><5S+ 0 0 151 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.890 105.8 57.8 -63.9 -38.5 -2.7 3.5 3.7 348 348 A A H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.844 108.5 45.0 -61.6 -35.1 1.0 2.9 4.2 349 349 A I T 3<5S- 0 0 0 -4,-1.7 -1,-0.3 -3,-0.3 -2,-0.2 0.067 124.3-103.9 -98.0 25.9 0.5 -0.8 3.1 350 350 A D T < 5 0 0 66 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.828 360.0 360.0 58.8 40.9 -1.6 0.3 0.2 351 351 A L < 0 0 75 -5,-2.9 -1,-0.2 -6,-0.1 -2,-0.0 -0.589 360.0 360.0-112.9 360.0 -5.0 -0.7 1.6