==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 17-FEB-03 1NZF . COMPND 2 MOLECULE: DNA BETA-GLYCOSYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTEROBACTERIA PHAGE T4; . AUTHOR L.LARIVIERE,S.MORERA . 351 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16193.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 231 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 15.1 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 . 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 . 29 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 25.4 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 0 0 1 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 2 3 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 . 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 2,-0.4 0, 0.0 35,-0.3 0.000 360.0 360.0 360.0 142.4 -6.6 13.7 0.3 2 2 A K - 0 0 93 56,-0.1 58,-2.8 33,-0.1 59,-0.9 -0.981 360.0-156.6-130.8 140.2 -2.8 14.1 -0.2 3 3 A I E -ab 37 61A 0 33,-2.4 35,-2.4 -2,-0.4 2,-0.5 -0.920 3.2-156.3-117.7 141.6 -0.2 15.8 2.0 4 4 A A E -ab 38 62A 0 57,-2.5 59,-3.2 -2,-0.4 2,-0.4 -0.958 8.9-174.0-117.0 129.7 3.1 17.2 0.9 5 5 A I E +ab 39 63A 0 33,-2.7 35,-2.2 -2,-0.5 2,-0.3 -0.974 11.1 168.0-122.2 138.8 6.0 17.5 3.3 6 6 A I E - b 0 64A 0 57,-2.2 59,-2.9 -2,-0.4 2,-0.5 -0.931 36.4-118.8-141.9 165.1 9.3 19.3 2.4 7 7 A N E - b 0 65A 6 33,-0.4 59,-0.1 -2,-0.3 3,-0.1 -0.935 24.0-142.5-105.0 131.9 12.4 20.6 4.0 8 8 A M S S+ 0 0 0 57,-2.2 76,-0.3 -2,-0.5 75,-0.2 0.649 88.1 8.6 -72.6 -14.9 12.7 24.4 3.5 9 9 A G S S+ 0 0 5 56,-0.2 71,-0.4 57,-0.2 2,-0.3 0.304 111.2 69.9-151.9 18.5 16.5 24.5 3.1 10 10 A N S S- 0 0 59 69,-0.3 -3,-0.2 -3,-0.1 -1,-0.2 -0.999 74.5-113.5-143.0 137.9 18.1 21.1 2.8 11 11 A N - 0 0 63 -2,-0.3 2,-0.5 30,-0.1 9,-0.1 -0.380 31.3-141.4 -67.0 145.3 18.1 18.5 0.1 12 12 A V + 0 0 2 1,-0.1 31,-0.3 31,-0.1 3,-0.1 -0.949 49.0 120.8-116.2 123.9 16.4 15.2 1.1 13 13 A I S S- 0 0 96 -2,-0.5 34,-0.4 1,-0.5 2,-0.2 0.480 72.3 -34.7-140.2 -58.3 17.7 11.8 0.1 14 14 A N S S- 0 0 73 32,-0.1 3,-0.5 33,-0.1 -1,-0.5 -0.621 78.7 -59.8-149.3-151.3 18.6 9.5 3.0 15 15 A F S S+ 0 0 29 1,-0.2 225,-1.8 -2,-0.2 226,-0.2 0.237 93.0 103.9 -95.2 15.6 20.0 9.4 6.5 16 16 A K S S+ 0 0 154 223,-0.2 2,-0.3 224,-0.1 -1,-0.2 0.809 86.1 35.7 -64.7 -31.7 23.4 11.0 5.7 17 17 A T S > S- 0 0 42 -3,-0.5 4,-2.3 1,-0.1 5,-0.1 -0.902 78.7-125.9-125.3 155.5 22.3 14.3 7.1 18 18 A V H > S+ 0 0 80 -2,-0.3 4,-2.7 2,-0.2 5,-0.2 0.892 108.5 50.9 -65.1 -43.8 20.1 15.3 10.1 19 19 A P H > S+ 0 0 40 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.922 114.0 45.1 -61.5 -43.5 17.8 17.6 8.1 20 20 A S H > S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.933 113.6 50.4 -64.2 -47.2 17.1 14.9 5.5 21 21 A S H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.918 109.4 49.4 -57.4 -49.4 16.7 12.2 8.2 22 22 A E H X S+ 0 0 22 -4,-2.7 4,-2.0 1,-0.2 -1,-0.2 0.884 110.8 51.4 -60.1 -38.3 14.2 14.3 10.2 23 23 A T H X S+ 0 0 0 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.917 112.0 45.9 -65.4 -43.2 12.2 15.0 7.1 24 24 A I H X S+ 0 0 0 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.902 111.2 51.6 -67.6 -41.8 12.0 11.3 6.2 25 25 A Y H X S+ 0 0 14 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.896 111.2 47.5 -62.9 -39.9 11.1 10.1 9.7 26 26 A L H X S+ 0 0 4 -4,-2.0 4,-2.5 -5,-0.2 5,-0.3 0.922 110.0 53.4 -66.8 -42.4 8.2 12.6 9.8 27 27 A F H X S+ 0 0 40 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.930 111.1 48.3 -55.2 -45.2 7.2 11.4 6.3 28 28 A K H X S+ 0 0 39 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.934 112.3 44.4 -64.3 -48.0 7.1 7.9 7.8 29 29 A V H < S+ 0 0 7 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.856 114.0 50.7 -67.3 -33.2 5.1 8.6 10.9 30 30 A I H ><>S+ 0 0 1 -4,-2.5 5,-1.1 -5,-0.2 3,-0.7 0.920 112.7 47.2 -67.9 -41.9 2.6 10.7 9.0 31 31 A S H ><5S+ 0 0 52 -4,-2.2 3,-1.7 -5,-0.3 4,-0.4 0.912 109.9 50.9 -64.2 -44.5 2.2 7.9 6.5 32 32 A E T 3<5S+ 0 0 53 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.547 96.3 73.5 -71.5 -5.6 1.9 5.2 9.2 33 33 A M T < 5S- 0 0 10 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.2 0.355 125.1-100.4 -86.3 2.0 -0.8 7.5 10.7 34 34 A G T < 5S+ 0 0 69 -3,-1.7 2,-0.4 1,-0.3 -2,-0.2 0.748 84.3 128.1 83.5 24.6 -3.0 6.4 7.8 35 35 A L < - 0 0 24 -5,-1.1 2,-0.6 -4,-0.4 -1,-0.3 -0.894 62.2-121.2-116.4 144.4 -2.4 9.6 5.8 36 36 A N + 0 0 112 -2,-0.4 -33,-2.4 -35,-0.3 2,-0.3 -0.737 44.8 166.9 -84.3 118.9 -1.3 9.9 2.2 37 37 A V E -a 3 0A 15 -2,-0.6 2,-0.4 -35,-0.2 -33,-0.2 -0.985 23.6-167.0-139.0 145.9 2.0 11.9 2.1 38 38 A D E -a 4 0A 37 -35,-2.4 -33,-2.7 -2,-0.3 2,-0.5 -0.977 19.4-137.7-126.4 141.5 4.8 12.7 -0.4 39 39 A I E -ac 5 48A 2 8,-0.5 10,-1.9 -2,-0.4 2,-0.5 -0.885 22.3-157.2 -95.8 128.8 8.1 14.2 0.4 40 40 A I E + c 0 49A 0 -35,-2.2 -33,-0.4 -2,-0.5 10,-0.2 -0.945 27.7 144.4-110.7 124.5 8.9 16.8 -2.3 41 41 A S E - c 0 50A 5 8,-3.4 10,-1.9 -2,-0.5 -30,-0.1 -0.628 62.5 -64.0-138.6-162.6 12.6 17.7 -2.8 42 42 A L S S+ 0 0 51 8,-0.2 10,-0.3 -2,-0.2 2,-0.3 0.906 111.4 5.7 -59.1 -46.0 15.1 18.6 -5.5 43 43 A K S S- 0 0 159 -31,-0.3 -2,-0.2 7,-0.1 2,-0.2 -0.867 86.0 -87.2-136.1 169.0 14.9 15.3 -7.4 44 44 A N + 0 0 101 -2,-0.3 2,-0.3 5,-0.1 5,-0.3 -0.507 58.0 151.9 -73.9 144.5 13.0 12.1 -7.4 45 45 A G - 0 0 29 3,-2.3 3,-0.4 -2,-0.2 -32,-0.1 -0.918 62.0 -72.4-158.9-179.2 14.5 9.5 -5.1 46 46 A V S S+ 0 0 142 -2,-0.3 -32,-0.1 1,-0.2 -33,-0.1 0.877 135.0 23.4 -51.8 -41.1 13.5 6.4 -3.0 47 47 A Y S S+ 0 0 72 -34,-0.4 -8,-0.5 -35,-0.1 2,-0.3 0.419 122.4 59.4-104.8 -1.6 11.8 8.7 -0.5 48 48 A T E -c 39 0A 10 -3,-0.4 -3,-2.3 -10,-0.1 2,-0.3 -0.844 51.6-154.3-135.6 167.0 11.1 11.7 -2.7 49 49 A K E -c 40 0A 78 -10,-1.9 -8,-3.4 -2,-0.3 2,-0.2 -0.884 40.9-104.5-125.6 156.5 9.5 13.4 -5.7 50 50 A S E >> -c 41 0A 17 -2,-0.3 3,-1.3 -10,-0.2 4,-0.6 -0.592 17.4-123.1 -89.1 150.4 10.9 16.5 -7.3 51 51 A F G >4 S+ 0 0 17 -10,-1.9 3,-0.5 1,-0.3 5,-0.2 0.818 112.5 52.6 -54.7 -34.6 9.4 20.0 -7.0 52 52 A D G 34 S+ 0 0 151 -10,-0.3 -1,-0.3 1,-0.2 -10,-0.1 0.611 102.4 55.4 -82.5 -12.8 9.2 20.1 -10.8 53 53 A E G <4 S+ 0 0 95 -3,-1.3 2,-0.3 2,-0.0 -1,-0.2 0.464 108.1 49.1 -98.9 -1.7 7.3 16.9 -11.4 54 54 A V S << S- 0 0 33 -4,-0.6 2,-0.5 -3,-0.5 3,-0.1 -0.827 76.9-123.1-129.8 169.2 4.3 17.7 -9.1 55 55 A D > - 0 0 84 -2,-0.3 3,-2.4 1,-0.1 4,-0.2 -0.969 14.3-145.5-117.3 118.7 2.0 20.6 -8.5 56 56 A V G > S+ 0 0 4 -2,-0.5 3,-1.4 1,-0.3 -1,-0.1 0.821 98.5 59.4 -51.4 -34.6 1.9 22.0 -5.0 57 57 A N G 3 S+ 0 0 69 1,-0.3 -1,-0.3 -3,-0.1 33,-0.0 0.330 86.0 74.5 -82.4 11.5 -1.8 22.8 -5.3 58 58 A D G < S+ 0 0 97 -3,-2.4 2,-0.4 2,-0.0 -1,-0.3 0.394 88.5 81.7 -93.9 -3.6 -2.6 19.1 -5.9 59 59 A Y < - 0 0 14 -3,-1.4 -56,-0.2 -4,-0.2 3,-0.1 -0.827 68.1-155.1-105.5 144.6 -1.9 18.7 -2.2 60 60 A D S S+ 0 0 80 -58,-2.8 2,-0.3 -2,-0.4 -57,-0.2 0.616 83.2 30.3 -91.6 -17.1 -4.4 19.5 0.6 61 61 A R E -b 3 0A 45 -59,-0.9 -57,-2.5 31,-0.1 2,-0.5 -0.996 64.9-157.6-142.3 137.8 -1.8 20.2 3.3 62 62 A L E -bd 4 94A 0 31,-0.7 33,-2.8 -2,-0.3 2,-0.5 -0.967 12.3-171.1-120.2 114.7 1.7 21.6 3.0 63 63 A I E -bd 5 95A 0 -59,-3.2 -57,-2.2 -2,-0.5 2,-0.5 -0.905 3.7-163.8-107.8 130.3 4.0 20.7 5.9 64 64 A V E -bd 6 96A 0 31,-3.0 33,-2.7 -2,-0.5 2,-0.4 -0.951 13.2-143.2-122.2 119.9 7.5 22.4 6.0 65 65 A V E -bd 7 97A 1 -59,-2.9 -57,-2.2 -2,-0.5 -56,-0.2 -0.635 39.4-105.2 -76.7 131.0 10.4 21.2 8.2 66 66 A N + 0 0 7 31,-2.1 2,-0.3 -2,-0.4 -57,-0.2 -0.134 49.7 159.0 -59.5 152.2 12.2 24.3 9.5 67 67 A S - 0 0 2 36,-0.3 2,-0.2 -59,-0.1 -57,-0.0 -0.952 43.6 -84.6-160.4 170.4 15.6 25.3 8.0 68 68 A S - 0 0 49 -2,-0.3 35,-0.1 1,-0.1 37,-0.0 -0.524 22.9-158.8 -81.5 153.4 17.8 28.4 7.8 69 69 A I + 0 0 13 -2,-0.2 2,-0.1 38,-0.1 -1,-0.1 0.352 54.7 118.8-111.1 0.3 17.2 30.8 4.9 70 70 A N - 0 0 110 1,-0.1 2,-0.9 41,-0.0 -2,-0.1 -0.439 64.5-130.6 -71.1 139.8 20.7 32.2 5.0 71 71 A F > - 0 0 21 -2,-0.1 3,-2.5 37,-0.1 -1,-0.1 -0.797 22.0-134.5 -97.1 100.3 22.8 31.9 1.9 72 72 A F G > S+ 0 0 194 -2,-0.9 3,-1.5 1,-0.3 -1,-0.0 -0.239 88.2 3.3 -53.1 132.0 26.2 30.5 2.8 73 73 A G G 3 S- 0 0 60 1,-0.3 -1,-0.3 0, 0.0 -2,-0.0 0.549 118.5 -84.2 66.8 6.5 29.0 32.3 1.1 74 74 A G G < S+ 0 0 16 -3,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.527 99.0 127.7 73.5 3.9 26.4 34.7 -0.4 75 75 A K < - 0 0 147 -3,-1.5 -1,-0.3 1,-0.1 40,-0.0 -0.542 69.9 -85.7 -91.1 158.5 25.9 32.1 -3.2 76 76 A P - 0 0 64 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.287 31.3-154.4 -63.1 147.2 22.6 30.6 -4.2 77 77 A N > - 0 0 51 1,-0.1 4,-2.7 -8,-0.1 5,-0.2 -0.944 2.5-164.0-124.0 103.3 21.2 27.7 -2.3 78 78 A L H > S+ 0 0 102 -2,-0.5 4,-2.7 1,-0.2 5,-0.3 0.768 86.6 58.5 -60.4 -29.2 18.8 25.8 -4.6 79 79 A A H > S+ 0 0 10 -70,-0.2 4,-2.1 2,-0.2 -69,-0.3 0.953 112.6 39.8 -66.1 -48.0 17.2 23.8 -1.7 80 80 A I H > S+ 0 0 3 -71,-0.4 4,-2.4 2,-0.2 5,-0.2 0.952 120.0 44.6 -64.0 -51.5 16.1 27.1 -0.1 81 81 A L H X S+ 0 0 1 -4,-2.7 4,-1.7 1,-0.2 -2,-0.2 0.895 116.1 45.7 -62.2 -43.0 15.2 28.8 -3.3 82 82 A S H X S+ 0 0 35 -4,-2.7 4,-2.1 -5,-0.2 -1,-0.2 0.894 113.0 50.7 -68.2 -40.2 13.3 25.8 -4.7 83 83 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.931 112.8 44.4 -63.9 -46.9 11.5 25.1 -1.5 84 84 A Q H X S+ 0 0 0 -4,-2.4 4,-2.8 -76,-0.3 -1,-0.2 0.818 110.5 54.5 -69.6 -30.6 10.3 28.7 -1.1 85 85 A K H X S+ 0 0 51 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.939 110.8 47.7 -63.6 -44.5 9.3 28.9 -4.7 86 86 A F H X S+ 0 0 4 -4,-2.1 4,-0.6 1,-0.2 3,-0.4 0.925 113.7 47.0 -59.6 -48.3 7.2 25.8 -4.0 87 87 A M H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.895 106.4 58.0 -62.4 -42.6 5.7 27.4 -0.9 88 88 A A H 3< S+ 0 0 13 -4,-2.8 41,-0.3 1,-0.3 -1,-0.2 0.798 104.2 51.8 -60.6 -30.9 4.9 30.7 -2.6 89 89 A K H 3< S+ 0 0 122 -4,-1.3 -1,-0.3 -3,-0.4 2,-0.2 0.640 87.1 102.7 -81.5 -14.1 2.7 29.0 -5.2 90 90 A Y << - 0 0 4 -3,-1.1 40,-0.2 -4,-0.6 39,-0.2 -0.518 56.4-160.7 -73.6 133.6 0.7 27.2 -2.6 91 91 A K + 0 0 156 -2,-0.2 2,-0.2 2,-0.1 -1,-0.1 0.256 63.3 64.1-100.9 12.7 -2.8 28.7 -1.9 92 92 A S S S- 0 0 57 1,-0.1 38,-0.1 38,-0.1 -31,-0.1 -0.732 97.5 -60.2-126.3 177.2 -3.6 27.2 1.5 93 93 A K - 0 0 41 -2,-0.2 -31,-0.7 37,-0.1 2,-0.4 -0.271 48.4-139.5 -60.5 140.1 -2.3 27.4 5.0 94 94 A I E -de 62 132A 0 37,-2.7 39,-3.0 -33,-0.1 2,-0.8 -0.878 5.3-144.8-105.4 132.1 1.3 26.2 5.5 95 95 A Y E -de 63 133A 10 -33,-2.8 -31,-3.0 -2,-0.4 2,-0.7 -0.856 13.7-160.2-102.1 108.2 2.3 24.2 8.6 96 96 A Y E -de 64 134A 0 37,-2.4 39,-3.1 -2,-0.8 2,-1.0 -0.777 8.8-146.5 -93.0 114.3 5.8 25.0 9.8 97 97 A L E -de 65 135A 0 -33,-2.7 -31,-2.1 -2,-0.7 2,-1.2 -0.699 12.2-161.1 -83.6 104.9 7.4 22.3 12.0 98 98 A F E + e 0 136A 0 37,-2.4 39,-2.1 -2,-1.0 40,-0.3 -0.719 31.0 149.1 -89.5 89.4 9.6 24.3 14.4 99 99 A T + 0 0 14 -2,-1.2 2,-0.4 1,-0.2 -1,-0.2 0.559 62.5 44.8-100.2 -11.1 12.1 21.8 15.8 100 100 A A S > S- 0 0 11 -3,-0.2 3,-2.3 3,-0.1 -1,-0.2 -0.985 72.0-139.5-137.7 125.8 15.1 24.0 16.4 101 101 A I T 3 S+ 0 0 26 -2,-0.4 -1,-0.1 1,-0.3 159,-0.0 0.820 101.4 57.7 -49.3 -40.4 14.9 27.5 18.1 102 102 A R T 3 S+ 0 0 157 1,-0.2 -1,-0.3 -34,-0.0 -35,-0.0 0.481 97.3 66.9 -74.8 -0.6 17.4 29.0 15.7 103 103 A L < + 0 0 24 -3,-2.3 -36,-0.3 -35,-0.1 -1,-0.2 -0.296 62.0 159.3-118.7 52.2 15.3 28.2 12.6 104 104 A P - 0 0 30 0, 0.0 -37,-0.1 0, 0.0 44,-0.0 -0.301 54.4 -86.1 -68.2 156.1 12.1 30.2 12.8 105 105 A F + 0 0 2 -9,-0.1 2,-0.3 -39,-0.1 49,-0.1 -0.359 59.6 164.3 -61.9 143.6 10.2 30.7 9.5 106 106 A S - 0 0 35 -3,-0.1 2,-0.2 45,-0.0 45,-0.1 -0.979 39.3-103.4-159.4 150.9 11.5 33.7 7.5 107 107 A Q - 0 0 34 -2,-0.3 4,-0.2 1,-0.1 20,-0.1 -0.557 18.6-159.2 -77.9 141.1 11.2 35.1 3.9 108 108 A S S >> S+ 0 0 0 18,-0.3 4,-2.2 -2,-0.2 3,-1.8 0.765 77.6 82.2 -90.3 -28.4 14.3 34.6 1.7 109 109 A W H 3> S+ 0 0 34 1,-0.3 4,-3.0 17,-0.2 5,-0.2 0.842 86.6 56.9 -44.4 -45.2 13.4 37.3 -0.8 110 110 A P H 34 S+ 0 0 62 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.837 111.4 44.4 -58.5 -31.4 14.9 40.0 1.5 111 111 A N H <4 S+ 0 0 55 -3,-1.8 3,-0.4 -4,-0.2 -2,-0.2 0.873 115.4 47.8 -77.3 -41.2 18.2 38.1 1.4 112 112 A V H >< S+ 0 0 0 -4,-2.2 3,-2.5 1,-0.2 6,-0.2 0.903 99.1 64.7 -67.6 -45.8 18.0 37.5 -2.4 113 113 A K T 3< S+ 0 0 109 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.1 0.762 103.8 49.1 -52.3 -28.5 17.2 41.0 -3.5 114 114 A N T 3 S+ 0 0 131 -4,-0.4 -1,-0.3 -3,-0.4 -2,-0.2 0.353 92.8 96.6 -95.2 6.1 20.6 42.2 -2.2 115 115 A R S X S- 0 0 90 -3,-2.5 3,-2.2 1,-0.1 4,-0.2 -0.660 83.1-119.2 -95.5 152.6 22.6 39.5 -3.9 116 116 A P G > S+ 0 0 99 0, 0.0 3,-0.6 0, 0.0 -1,-0.1 0.831 116.3 53.4 -55.8 -32.1 24.4 39.9 -7.3 117 117 A W G > S+ 0 0 26 1,-0.2 3,-1.9 2,-0.1 4,-0.2 0.243 73.5 110.5 -89.5 14.0 22.3 37.1 -8.6 118 118 A A G X + 0 0 17 -3,-2.2 3,-2.2 1,-0.3 -1,-0.2 0.818 64.7 70.1 -57.1 -33.1 19.0 38.7 -7.6 119 119 A Y G < S+ 0 0 188 -3,-0.6 -1,-0.3 1,-0.3 -2,-0.1 0.698 86.5 68.1 -60.5 -18.2 18.1 39.4 -11.2 120 120 A L G < S+ 0 0 97 -3,-1.9 -1,-0.3 2,-0.0 2,-0.3 0.607 106.2 39.6 -77.5 -11.0 17.6 35.6 -11.6 121 121 A Y < - 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k 0 300B 1 -28,-2.4 3,-1.8 -2,-0.4 4,-0.7 -0.493 29.1-136.7 -62.2 115.5 21.7 18.0 32.7 284 284 A E G >4 S+ 0 0 37 16,-2.7 3,-1.2 -2,-0.4 6,-0.2 0.847 100.3 58.6 -43.2 -47.7 19.6 19.2 35.7 285 285 A E G >4 S+ 0 0 99 1,-0.2 3,-0.5 15,-0.2 -1,-0.3 0.765 97.6 61.7 -57.6 -29.5 19.1 22.7 34.1 286 286 A F G <4 S+ 0 0 3 -3,-1.8 -23,-2.9 1,-0.3 -22,-0.3 0.795 124.1 13.5 -69.4 -28.6 17.5 21.1 31.0 287 287 A D G X< + 0 0 7 -3,-1.2 3,-1.9 -4,-0.7 -1,-0.3 -0.517 69.2 172.0-150.7 72.8 14.6 19.6 33.0 288 288 A T T < S+ 0 0 69 -3,-0.5 -3,-0.1 1,-0.3 -1,-0.1 0.680 80.3 51.4 -58.8 -24.7 14.5 21.1 36.5 289 289 A K T 3 S- 0 0 165 -5,-0.0 -1,-0.3 5,-0.0 -5,-0.0 0.266 109.2-119.8 -98.7 12.4 11.2 19.5 37.5 290 290 A H < + 0 0 38 -3,-1.9 -2,-0.1 -6,-0.2 -6,-0.0 0.913 56.4 157.3 49.0 49.2 12.4 16.0 36.4 291 291 A R + 0 0 169 1,-0.2 3,-0.2 3,-0.1 -1,-0.1 0.786 66.6 54.9 -71.3 -31.0 9.6 15.8 33.9 292 292 A I S S- 0 0 18 1,-0.3 2,-0.3 -5,-0.1 -1,-0.2 0.958 129.5 -2.7 -70.0 -52.2 11.5 13.2 31.8 293 293 A I - 0 0 5 2,-0.1 2,-2.0 37,-0.0 -1,-0.3 -0.970 64.0-138.0-144.4 125.9 12.0 10.7 34.7 294 294 A N S S+ 0 0 150 -2,-0.3 2,-0.3 -3,-0.2 -3,-0.1 -0.444 75.5 97.2 -84.1 66.5 10.9 11.2 38.3 295 295 A D > - 0 0 34 -2,-2.0 3,-2.0 1,-0.0 4,-0.1 -0.848 65.4-148.2-154.9 109.5 14.1 9.7 39.7 296 296 A A G > S+ 0 0 65 -2,-0.3 3,-1.6 1,-0.3 -2,-0.0 0.668 90.2 76.9 -55.5 -20.0 16.9 12.1 40.8 297 297 A R G 3 S+ 0 0 72 1,-0.3 -1,-0.3 -16,-0.0 -3,-0.0 0.721 86.9 59.7 -66.4 -20.7 19.6 9.5 39.8 298 298 A F G < S+ 0 0 0 -3,-2.0 -16,-3.8 -5,-0.1 2,-0.3 0.427 97.2 78.3 -86.4 1.3 19.1 10.3 36.1 299 299 A Y E < -k 282 0B 0 -3,-1.6 2,-0.4 -18,-0.2 -16,-0.2 -0.878 55.0-172.2-117.3 146.1 20.1 13.9 36.7 300 300 A V E -k 283 0B 3 -18,-2.6 -16,-2.7 -2,-0.3 -15,-0.2 -0.996 12.0-166.0-135.0 139.1 23.5 15.6 37.1 301 301 A N - 0 0 78 -2,-0.4 2,-0.2 -18,-0.2 -16,-0.1 0.810 68.9 -11.3 -92.0 -35.6 24.3 19.2 38.0 302 302 A N S > S- 0 0 67 -100,-0.0 4,-2.4 -101,-0.0 5,-0.2 -0.857 82.7 -73.9-152.0-175.0 28.0 19.5 37.2 303 303 A R H > S+ 0 0 64 -2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.866 124.7 56.2 -57.0 -40.2 31.2 17.7 36.3 304 304 A A H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.943 110.0 43.7 -58.6 -51.3 31.5 16.4 39.8 305 305 A E H > S+ 0 0 43 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.903 112.2 53.2 -60.6 -45.6 28.1 14.8 39.8 306 306 A L H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.944 110.4 47.0 -56.7 -50.4 28.6 13.3 36.3 307 307 A I H X S+ 0 0 42 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.928 115.1 46.2 -58.3 -47.1 31.9 11.7 37.3 308 308 A D H X S+ 0 0 91 -4,-2.3 4,-2.4 -5,-0.2 -2,-0.2 0.928 113.3 48.4 -62.6 -46.4 30.4 10.3 40.5 309 309 A R H X S+ 0 0 31 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.909 113.0 48.1 -61.4 -42.6 27.2 9.0 38.8 310 310 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.902 111.6 49.2 -66.0 -41.9 29.3 7.3 36.1 311 311 A N H X S+ 0 0 53 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.898 108.9 53.6 -64.2 -38.9 31.6 5.7 38.5 312 312 A E H X S+ 0 0 92 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.909 111.6 45.9 -61.0 -40.9 28.6 4.4 40.5 313 313 A L H < S+ 0 0 2 -4,-2.0 3,-0.3 1,-0.2 7,-0.3 0.863 110.2 53.5 -69.8 -36.7 27.3 2.9 37.3 314 314 A K H < S+ 0 0 91 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.805 114.3 41.4 -68.2 -30.1 30.7 1.4 36.4 315 315 A H H < S+ 0 0 151 -4,-1.8 2,-0.4 1,-0.2 -1,-0.2 0.519 113.7 52.6 -97.3 -6.4 31.0 -0.3 39.8 316 316 A S X - 0 0 44 -4,-0.8 4,-2.2 -3,-0.3 3,-0.2 -0.822 51.7-179.8-134.4 96.1 27.4 -1.6 40.1 317 317 A D H > S+ 0 0 90 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.800 88.4 58.8 -62.4 -27.0 26.0 -3.6 37.3 318 318 A V H > S+ 0 0 109 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 105.4 46.6 -69.0 -42.4 22.8 -3.8 39.3 319 319 A L H > S+ 0 0 25 -3,-0.2 4,-2.6 -7,-0.2 5,-0.2 0.925 113.1 51.2 -64.3 -43.4 22.4 -0.0 39.5 320 320 A R H X S+ 0 0 33 -4,-2.2 4,-2.4 -7,-0.3 -2,-0.2 0.946 113.7 42.1 -59.1 -52.3 23.1 0.2 35.7 321 321 A K H X S+ 0 0 121 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.822 112.8 54.3 -68.0 -30.2 20.5 -2.4 34.8 322 322 A E H X S+ 0 0 83 -4,-2.1 4,-2.3 -5,-0.2 -2,-0.2 0.958 110.7 45.2 -67.6 -48.2 17.9 -1.1 37.2 323 323 A M H X S+ 0 0 0 -4,-2.6 4,-3.0 2,-0.2 5,-0.3 0.919 113.4 49.7 -61.4 -42.8 18.2 2.5 35.8 324 324 A L H X S+ 0 0 10 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.928 109.9 52.4 -60.0 -43.8 18.0 1.1 32.2 325 325 A S H X S+ 0 0 79 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.892 111.6 47.4 -57.9 -40.8 15.0 -0.9 33.2 326 326 A I H X S+ 0 0 42 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.943 112.8 45.2 -68.4 -49.4 13.4 2.3 34.6 327 327 A Q H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -2,-0.2 0.887 113.5 51.2 -64.8 -36.0 14.1 4.5 31.5 328 328 A H H X S+ 0 0 28 -4,-2.7 4,-2.3 -5,-0.3 -1,-0.2 0.887 109.0 51.2 -66.7 -38.0 13.0 1.7 29.2 329 329 A D H X S+ 0 0 75 -4,-1.7 4,-1.8 -5,-0.3 -2,-0.2 0.918 110.7 48.2 -63.3 -45.2 9.7 1.4 31.2 330 330 A I H X S+ 0 0 41 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.885 110.4 52.2 -62.8 -39.8 9.1 5.1 31.0 331 331 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 3,-0.3 0.920 108.2 50.2 -62.9 -45.0 9.8 5.1 27.2 332 332 A N H X S+ 0 0 65 -4,-2.3 4,-1.6 1,-0.2 -1,-0.2 0.857 105.7 57.2 -62.7 -34.6 7.3 2.3 26.7 333 333 A K H < S+ 0 0 115 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.860 108.5 46.7 -64.0 -35.4 4.7 4.2 28.7 334 334 A T H >< S+ 0 0 24 -4,-1.4 3,-1.2 -3,-0.3 -2,-0.2 0.898 109.9 52.6 -72.5 -40.9 5.1 7.1 26.2 335 335 A R H >< S+ 0 0 82 -4,-2.3 3,-1.2 1,-0.3 -2,-0.2 0.780 98.6 66.7 -64.7 -26.3 4.9 4.7 23.2 336 336 A A T 3< S+ 0 0 79 -4,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.766 93.0 60.3 -65.7 -25.6 1.7 3.4 24.7 337 337 A K T <> + 0 0 119 -3,-1.2 4,-2.3 -4,-0.5 -1,-0.3 -0.015 68.7 123.0 -92.1 30.2 0.1 6.8 24.0 338 338 A K H <> S+ 0 0 57 -3,-1.2 4,-2.9 1,-0.2 5,-0.2 0.924 70.2 51.5 -56.4 -51.0 0.7 6.5 20.3 339 339 A A H > S+ 0 0 44 -3,-0.4 4,-2.6 1,-0.2 -1,-0.2 0.888 111.0 49.3 -55.4 -42.0 -2.9 7.0 19.3 340 340 A E H > S+ 0 0 111 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.920 111.1 49.4 -63.4 -45.2 -3.1 10.1 21.4 341 341 A W H X S+ 0 0 17 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.922 112.4 48.2 -59.9 -46.6 0.1 11.5 19.8 342 342 A Q H X S+ 0 0 36 -4,-2.9 4,-2.7 2,-0.2 -2,-0.2 0.922 112.3 47.4 -62.0 -46.7 -1.2 10.7 16.3 343 343 A D H X S+ 0 0 98 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.867 110.8 53.2 -64.3 -34.7 -4.6 12.4 17.0 344 344 A A H X S+ 0 0 40 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.890 110.2 47.7 -67.1 -38.9 -2.8 15.4 18.5 345 345 A F H X S+ 0 0 5 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.955 110.3 50.7 -66.1 -50.0 -0.7 15.7 15.3 346 346 A K H <>S+ 0 0 51 -4,-2.7 5,-2.6 1,-0.2 -2,-0.2 0.896 110.6 50.7 -53.5 -41.8 -3.7 15.4 13.0 347 347 A K H ><5S+ 0 0 129 -4,-2.2 3,-1.7 3,-0.2 -1,-0.2 0.900 104.6 57.7 -63.6 -40.4 -5.4 18.1 15.1 348 348 A A H 3<5S+ 0 0 0 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.851 109.5 44.7 -58.3 -36.5 -2.3 20.3 14.7 349 349 A I T 3<5S- 0 0 0 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 -0.086 126.4 -99.7-100.8 34.8 -2.6 20.2 10.9 350 350 A D T < 5 0 0 63 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.867 360.0 360.0 50.7 49.5 -6.3 20.8 11.0 351 351 A L < 0 0 97 -5,-2.6 -1,-0.2 -8,-0.2 -2,-0.0 -0.665 360.0 360.0-128.5 360.0 -7.4 17.2 10.6