==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 23-APR-05 1X2H . COMPND 2 MOLECULE: LIPOATE-PROTEIN LIGASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.FUJIWARA,S.TOMA,K.OKAMURA-IKEDA,Y.MOTOKAWA,A.NAKAGAWA, . 997 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 42774.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 699 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 5.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 178 17.9 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.2 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 0.1 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 . 73 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 104 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 249 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 1.4 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 7 2 2 1 4 4 1 0 0 5 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 2 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 . 9 0 6 0 3 1 6 3 3 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 3 3 0 0 0 1 2 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 S 0 0 98 0, 0.0 208,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-171.6 32.6 32.0 58.0 2 2 A T + 0 0 47 29,-0.1 30,-2.0 2,-0.0 2,-0.3 0.913 360.0 66.4 -33.3 -62.9 32.4 31.7 54.2 3 3 A L E -a 32 0A 4 28,-0.2 2,-0.4 205,-0.1 30,-0.2 -0.524 58.7-173.4 -82.3 136.1 29.1 33.8 53.9 4 4 A R E -a 33 0A 29 28,-2.6 30,-2.1 -2,-0.3 2,-0.5 -0.974 7.1-160.7-119.7 141.3 28.9 37.4 54.7 5 5 A L E -ab 34 211A 7 205,-0.5 207,-2.4 -2,-0.4 2,-0.5 -0.936 9.7-171.3-126.8 109.0 25.5 39.1 54.7 6 6 A L E -ab 35 212A 2 28,-3.2 30,-2.7 -2,-0.5 2,-0.5 -0.872 6.1-175.7-109.2 128.5 25.6 42.9 54.4 7 7 A I E -ab 36 213A 34 205,-2.6 207,-1.1 -2,-0.5 2,-0.2 -0.956 17.6-143.7-124.2 108.5 22.5 45.1 54.8 8 8 A S E - b 0 214A 9 28,-2.0 207,-0.2 -2,-0.5 205,-0.1 -0.534 12.1-170.7 -73.3 142.3 22.9 48.8 54.2 9 9 A D + 0 0 81 205,-2.7 2,-0.3 -2,-0.2 -1,-0.1 -0.271 61.9 83.9-116.5 40.0 20.8 51.0 56.5 10 10 A S - 0 0 1 28,-0.1 28,-0.5 205,-0.1 6,-0.1 -0.994 60.7-154.7-151.0 134.2 21.6 54.1 54.6 11 11 A Y + 0 0 17 -2,-0.3 29,-2.2 28,-0.1 -1,-0.1 0.495 59.2 121.6 -91.1 -0.9 20.2 55.8 51.5 12 12 A D > - 0 0 15 27,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.497 51.5-157.6 -65.1 109.7 23.5 57.6 50.8 13 13 A P H > S+ 0 0 0 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.552 89.8 55.2 -75.3 -9.1 24.4 56.4 47.3 14 14 A W H > S+ 0 0 54 2,-0.2 4,-2.4 3,-0.1 5,-0.2 0.832 110.0 46.7 -88.0 -37.3 28.1 57.2 47.8 15 15 A F H > S+ 0 0 0 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.970 114.0 46.9 -60.4 -53.8 28.2 55.1 50.8 16 16 A N H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.936 113.6 49.3 -57.0 -42.2 26.4 52.2 49.1 17 17 A L H X S+ 0 0 16 -4,-1.1 4,-2.5 2,-0.2 -1,-0.2 0.905 107.7 52.6 -64.4 -43.8 28.6 52.5 46.1 18 18 A A H X S+ 0 0 0 -4,-2.4 4,-3.5 1,-0.2 3,-0.3 0.963 109.6 50.3 -55.9 -51.6 31.8 52.5 48.1 19 19 A V H X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 -1,-0.2 0.920 110.3 50.5 -49.4 -46.8 30.6 49.3 49.8 20 20 A E H X S+ 0 0 14 -4,-2.5 4,-1.9 -5,-0.2 -1,-0.3 0.881 111.3 47.8 -60.6 -36.2 29.9 47.9 46.3 21 21 A E H X S+ 0 0 22 -4,-2.5 4,-2.4 -3,-0.3 5,-0.3 0.894 107.2 55.9 -77.3 -39.8 33.4 48.8 45.2 22 22 A C H X>S+ 0 0 0 -4,-3.5 4,-3.4 -5,-0.2 5,-2.1 0.890 108.3 49.2 -52.4 -40.3 35.0 47.3 48.3 23 23 A I H <5S+ 0 0 0 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.959 112.2 47.5 -67.2 -47.1 33.2 44.0 47.5 24 24 A F H <5S+ 0 0 18 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.885 135.6 8.6 -60.2 -37.0 34.4 44.0 44.0 25 25 A R H <5S+ 0 0 34 -4,-2.4 -2,-0.2 -5,-0.1 -3,-0.2 0.574 127.5 42.6-130.1 -10.6 38.0 44.9 44.9 26 26 A Q T <5S+ 0 0 50 -4,-3.4 -3,-0.2 -5,-0.3 -4,-0.1 0.824 93.2 74.6-103.3 -57.5 38.8 44.7 48.7 27 27 A X S - 0 0 74 0, 0.0 3,-2.0 0, 0.0 2,-0.9 -0.616 20.6-122.1 -77.6 140.4 38.8 38.3 49.2 29 29 A A T 3 S+ 0 0 22 1,-0.3 62,-0.5 -2,-0.3 117,-0.1 0.051 99.0 93.1 -69.5 28.3 36.7 36.1 46.9 30 30 A T T 3 S+ 0 0 108 -2,-0.9 -1,-0.3 60,-0.1 2,-0.1 0.647 79.7 69.8 -90.0 -20.3 37.0 33.5 49.7 31 31 A Q S < S- 0 0 32 -3,-2.0 2,-0.5 -28,-0.0 60,-0.5 -0.429 75.1-139.2 -92.3 160.2 33.7 34.9 50.9 32 32 A R E -a 3 0A 42 -30,-2.0 -28,-2.6 58,-0.2 2,-0.6 -0.981 32.0-164.3-119.2 121.3 30.2 34.7 49.4 33 33 A V E -aC 4 89A 1 56,-2.9 56,-1.4 -2,-0.5 2,-0.5 -0.870 23.4-175.0-119.7 128.3 28.6 38.0 49.8 34 34 A L E -aC 5 88A 0 -30,-2.1 -28,-3.2 -2,-0.6 2,-0.4 -0.971 13.1-174.8-111.3 134.3 25.1 39.2 49.6 35 35 A F E -aC 6 87A 0 52,-2.8 52,-2.8 -2,-0.5 2,-0.5 -0.991 3.2-169.7-126.3 128.4 24.7 43.0 50.0 36 36 A L E +aC 7 86A 0 -30,-2.7 -28,-2.0 -2,-0.4 2,-0.2 -0.964 24.8 129.7-128.8 125.6 21.3 44.6 50.1 37 37 A W E - C 0 85A 13 48,-1.2 48,-2.2 -2,-0.5 2,-0.2 -0.736 31.8-151.7-148.9-178.8 20.8 48.4 49.9 38 38 A R - 0 0 41 -28,-0.5 2,-0.3 -2,-0.2 43,-0.1 -0.877 14.4-132.9-169.4 147.6 18.9 51.2 48.2 39 39 A N - 0 0 4 41,-0.3 44,-0.3 -2,-0.2 3,-0.2 -0.769 17.1-124.2-105.5 146.3 19.6 54.9 47.4 40 40 A A S S- 0 0 2 -29,-2.2 2,-0.1 -2,-0.3 -1,-0.1 0.039 76.9 -33.4 -65.3-172.2 17.5 58.0 47.9 41 41 A D S S+ 0 0 23 23,-0.1 25,-2.2 353,-0.1 2,-0.3 -0.319 88.1 153.5 -60.2 121.3 16.9 60.1 44.7 42 42 A T E -iJ 66 79B 0 37,-1.8 37,-1.2 23,-0.2 2,-0.6 -0.989 42.6-149.1-154.1 135.1 20.0 59.7 42.5 43 43 A V E -iJ 67 78B 0 23,-2.8 25,-2.1 -2,-0.3 2,-0.6 -0.916 21.4-161.3-100.5 131.4 21.3 59.7 39.0 44 44 A V E -iJ 68 77B 9 33,-2.1 33,-1.7 -2,-0.6 2,-0.2 -0.972 7.9-167.5-114.9 121.0 24.2 57.5 38.5 45 45 A I E -i 69 0B 0 23,-1.9 25,-2.5 -2,-0.6 27,-0.2 -0.629 26.2-102.3 -98.9 158.7 26.4 58.1 35.5 46 46 A G > - 0 0 0 28,-0.5 3,-1.6 -2,-0.2 27,-0.2 -0.361 41.6-101.9 -74.7 162.9 29.2 55.9 34.0 47 47 A R T 3 S+ 0 0 0 25,-2.7 26,-0.1 1,-0.3 -1,-0.1 0.640 116.5 45.7 -67.6 -13.0 32.7 56.8 34.7 48 48 A A T 3 S+ 0 0 7 26,-0.3 228,-3.0 24,-0.2 -1,-0.3 0.074 86.8 108.9-118.8 23.0 33.4 58.5 31.3 49 49 A Q < - 0 0 3 -3,-1.6 228,-0.1 226,-0.2 -4,-0.1 -0.666 64.8-132.6 -93.1 155.8 30.3 60.6 30.9 50 50 A N >> - 0 0 9 -2,-0.3 4,-2.5 1,-0.1 3,-1.2 -0.925 14.8-165.5-107.0 109.0 30.2 64.4 31.2 51 51 A P H 3> S+ 0 0 2 0, 0.0 4,-2.2 0, 0.0 6,-0.1 0.644 85.8 63.7 -70.9 -22.2 27.3 65.3 33.5 52 52 A W H 34 S+ 0 0 50 2,-0.2 5,-0.1 187,-0.1 190,-0.1 0.703 113.7 34.2 -74.0 -27.1 27.3 68.9 32.5 53 53 A K H <4 S+ 0 0 64 -3,-1.2 -1,-0.1 3,-0.1 -4,-0.0 0.890 126.3 40.5 -80.9 -59.6 26.4 67.8 28.9 54 54 A E H < S+ 0 0 18 -4,-2.5 112,-1.1 111,-0.1 2,-0.3 0.874 110.0 57.7 -57.2 -47.3 24.2 64.8 30.0 55 55 A C B < S-K 165 0C 4 -4,-2.2 2,-1.5 110,-0.2 110,-0.3 -0.618 70.7-130.8-105.9 149.6 22.3 66.2 33.0 56 56 A N > + 0 0 39 108,-4.7 4,-2.1 -2,-0.3 5,-0.1 -0.718 35.2 176.7 -81.9 93.7 20.0 69.1 33.8 57 57 A T H > S+ 0 0 30 -2,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.828 72.3 59.0 -74.3 -34.1 22.0 70.1 36.8 58 58 A R H > S+ 0 0 78 2,-0.2 4,-2.5 -3,-0.2 5,-0.2 0.989 109.7 42.9 -56.4 -57.2 19.9 73.1 37.6 59 59 A R H > S+ 0 0 102 1,-0.2 4,-3.9 2,-0.2 5,-0.2 0.921 112.4 54.9 -55.1 -49.8 16.7 71.0 37.9 60 60 A X H <>S+ 0 0 6 -4,-2.1 5,-2.8 2,-0.2 4,-0.4 0.921 110.0 45.5 -42.5 -56.4 18.6 68.3 39.9 61 61 A E H ><5S+ 0 0 35 -4,-2.7 3,-2.4 3,-0.2 -2,-0.2 0.985 115.3 47.3 -54.1 -63.3 19.8 70.9 42.4 62 62 A E H 3<5S+ 0 0 77 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.869 117.0 43.3 -39.9 -50.9 16.2 72.4 42.6 63 63 A D T 3<5S- 0 0 65 -4,-3.9 -1,-0.3 -5,-0.2 -2,-0.2 0.415 112.9-120.2 -87.5 7.7 14.7 69.0 43.1 64 64 A N T < 5 + 0 0 16 -3,-2.4 2,-0.6 -4,-0.4 -3,-0.2 0.805 53.4 162.9 62.5 40.6 17.4 67.9 45.5 65 65 A V < - 0 0 10 -5,-2.8 -23,-0.2 -6,-0.2 -1,-0.2 -0.772 31.1-131.7-102.5 121.3 18.6 65.0 43.4 66 66 A R E -i 42 0B 41 -25,-2.2 -23,-2.8 -2,-0.6 2,-0.4 -0.245 12.0-148.5 -69.2 145.9 22.0 63.4 44.0 67 67 A L E +i 43 0B 7 -25,-0.2 2,-0.4 -23,-0.1 -23,-0.2 -0.928 18.6 172.0-110.1 142.9 24.7 62.6 41.4 68 68 A A E -i 44 0B 0 -25,-2.1 -23,-1.9 -2,-0.4 2,-0.6 -0.987 23.2-144.9-150.3 138.8 27.1 59.8 41.6 69 69 A R E -i 45 0B 17 -2,-0.4 -23,-0.2 163,-0.3 -22,-0.1 -0.905 15.1-154.6-104.5 119.0 29.6 58.4 39.2 70 70 A R - 0 0 41 -25,-2.5 -25,-0.0 -2,-0.6 907,-0.0 -0.258 24.5-118.5 -77.8 177.7 30.0 54.7 39.3 71 71 A S S S+ 0 0 4 -25,-0.1 909,-0.2 -2,-0.1 2,-0.2 0.355 84.7 84.0-103.4 8.1 33.4 53.4 38.1 72 72 A S S S- 0 0 30 1,-0.2 -25,-2.7 -27,-0.2 -24,-0.2 -0.573 80.5-103.9-104.8 167.6 32.1 51.3 35.2 73 73 A G + 0 0 6 206,-0.5 206,-0.3 -27,-0.2 -1,-0.2 0.224 69.8 73.0 -72.1-157.7 31.2 52.3 31.6 74 74 A G S S- 0 0 2 204,-2.4 -28,-0.5 -28,-0.1 -26,-0.3 -0.152 75.0 -63.1 76.8-173.3 27.7 52.8 30.2 75 75 A G - 0 0 26 1,-0.2 2,-0.2 -30,-0.2 -26,-0.1 0.030 62.3 -49.1-103.8-161.1 25.0 55.5 30.7 76 76 A A - 0 0 26 -31,-0.1 2,-0.3 -33,-0.1 -31,-0.2 -0.484 43.7-173.0 -85.0 149.5 22.7 57.1 33.3 77 77 A V E -J 44 0B 62 -33,-1.7 -33,-2.1 -2,-0.2 2,-0.3 -0.980 15.3-134.9-141.1 136.7 20.4 55.2 35.7 78 78 A F E -J 43 0B 25 -2,-0.3 2,-0.3 -35,-0.2 -35,-0.2 -0.730 19.3-174.2 -98.7 152.8 17.8 56.5 38.2 79 79 A H E +J 42 0B 17 -37,-1.2 -37,-1.8 -2,-0.3 2,-0.3 -0.996 10.4 161.0-134.9 140.3 17.3 55.4 41.8 80 80 A D > - 0 0 17 -2,-0.3 3,-2.1 -39,-0.2 -41,-0.3 -0.899 58.4 -90.6-136.1 177.8 14.8 56.1 44.4 81 81 A L T 3 S+ 0 0 45 -2,-0.3 75,-0.1 1,-0.3 -41,-0.1 0.688 119.8 73.4 -53.7 -21.9 13.8 54.4 47.7 82 82 A G T 3 S+ 0 0 13 73,-0.2 73,-2.0 72,-0.1 72,-1.6 0.320 84.6 81.7 -78.4 6.5 11.3 52.4 45.5 83 83 A N E < - D 0 153A 9 -3,-2.1 2,-0.4 -44,-0.3 70,-0.2 -0.976 65.8-161.0-109.3 128.9 14.2 50.5 44.1 84 84 A T E - D 0 152A 0 68,-2.2 68,-3.2 -2,-0.5 2,-0.3 -0.872 17.5-157.6-101.5 143.6 15.6 47.6 46.1 85 85 A C E -CD 37 151A 1 -48,-2.2 -48,-1.2 -2,-0.4 2,-0.4 -0.888 11.0-162.2-131.5 148.7 19.0 46.6 45.2 86 86 A F E -CD 36 150A 2 64,-3.1 64,-2.0 -2,-0.3 2,-0.5 -0.990 6.4-172.2-137.4 139.7 21.3 43.6 45.4 87 87 A T E +CD 35 149A 0 -52,-2.8 -52,-2.8 -2,-0.4 2,-0.4 -0.980 8.3 179.6-125.9 121.7 24.9 42.8 45.1 88 88 A F E +CD 34 148A 6 60,-3.2 60,-3.0 -2,-0.5 2,-0.3 -0.959 3.2 175.2-111.4 144.8 26.3 39.3 45.1 89 89 A X E +CD 33 147A 1 -56,-1.4 -56,-2.9 -2,-0.4 2,-0.3 -0.984 6.7 156.1-140.4 143.6 29.9 38.5 44.8 90 90 A A E - D 0 146A 1 56,-1.7 56,-3.4 -2,-0.3 -58,-0.2 -0.962 34.3-103.8-159.5 166.4 31.7 35.1 45.0 91 91 A G E > - D 0 145A 3 -62,-0.5 4,-1.6 -60,-0.5 54,-0.3 -0.353 48.7 -48.7 -95.5 168.4 35.0 33.6 43.8 92 92 A K T 4 S- 0 0 66 52,-1.7 -1,-0.1 2,-0.2 4,-0.1 -0.571 95.7 -5.2-102.3 161.0 35.9 31.2 41.0 93 93 A P T 4 S+ 0 0 125 0, 0.0 -1,-0.2 0, 0.0 52,-0.0 -0.998 121.8 63.1 -92.1 -7.3 35.4 28.6 39.5 94 94 A E T 4 S+ 0 0 103 1,-0.0 2,-0.4 2,-0.0 -2,-0.2 0.825 100.3 61.0 -32.4 -53.2 32.7 27.7 42.0 95 95 A Y < + 0 0 5 -4,-1.6 2,-0.3 3,-0.0 -5,-0.1 -0.703 53.4 160.7-102.3 132.9 30.5 30.6 41.1 96 96 A D >> - 0 0 68 -2,-0.4 3,-0.9 -4,-0.1 4,-0.5 -0.850 50.1 -98.5-131.0 177.0 28.8 31.7 37.9 97 97 A K H 3> S+ 0 0 39 -2,-0.3 4,-2.0 1,-0.2 3,-0.5 0.826 109.8 71.6 -66.5 -39.6 26.0 34.1 37.2 98 98 A T H 3> S+ 0 0 98 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.834 93.6 65.1 -51.4 -26.7 23.1 31.6 36.9 99 99 A I H <> S+ 0 0 26 -3,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.950 103.3 38.9 -60.9 -56.2 23.5 31.2 40.7 100 100 A S H X S+ 0 0 0 -4,-0.5 4,-2.4 -3,-0.5 -1,-0.2 0.899 115.8 54.8 -65.6 -36.5 22.5 34.6 41.8 101 101 A T H X S+ 0 0 22 -4,-2.0 4,-2.4 1,-0.2 5,-0.3 0.975 106.3 51.6 -56.7 -51.6 19.8 34.6 39.2 102 102 A S H X S+ 0 0 49 -4,-2.9 4,-2.6 -5,-0.3 -2,-0.2 0.940 109.9 50.2 -46.1 -53.3 18.5 31.4 40.6 103 103 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.896 109.8 48.1 -58.0 -44.2 18.4 33.0 44.1 104 104 A V H X S+ 0 0 1 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.965 111.8 49.8 -66.5 -48.3 16.5 36.1 43.1 105 105 A L H X S+ 0 0 37 -4,-2.4 4,-2.8 1,-0.2 -1,-0.2 0.854 109.5 52.4 -55.1 -42.0 13.8 34.1 41.1 106 106 A N H X S+ 0 0 81 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.949 110.2 47.9 -59.8 -45.6 13.3 31.8 44.0 107 107 A A H < S+ 0 0 2 -4,-2.2 -2,-0.2 2,-0.3 6,-0.2 0.902 112.1 47.8 -67.1 -39.5 12.8 34.7 46.3 108 108 A L H ><>S+ 0 0 2 -4,-2.7 5,-2.8 1,-0.2 3,-2.0 0.935 111.9 52.0 -63.0 -39.8 10.3 36.4 43.9 109 109 A N H ><5S+ 0 0 97 -4,-2.8 3,-1.8 1,-0.3 -2,-0.3 0.898 103.4 57.0 -62.1 -37.5 8.7 33.1 43.6 110 110 A A T 3<5S+ 0 0 76 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.478 102.9 56.7 -75.2 2.1 8.5 33.0 47.4 111 111 A L T < 5S- 0 0 37 -3,-2.0 -1,-0.3 2,-0.3 -2,-0.2 0.306 128.1 -94.6-109.3 7.0 6.6 36.3 47.2 112 112 A G T < 5S+ 0 0 67 -3,-1.8 2,-0.5 1,-0.3 -3,-0.2 0.458 92.1 119.6 89.0 2.5 3.9 35.0 45.0 113 113 A V < - 0 0 3 -5,-2.8 2,-0.5 -6,-0.2 -2,-0.3 -0.862 43.6-167.5-109.4 133.1 5.7 36.2 41.9 114 114 A S + 0 0 87 -2,-0.5 12,-0.6 12,-0.1 2,-0.3 -0.974 26.3 143.5-117.0 130.8 6.9 34.1 39.0 115 115 A A E -E 125 0A 15 -2,-0.5 2,-0.3 10,-0.2 10,-0.3 -0.789 23.8-160.4-147.8 173.2 9.2 35.7 36.6 116 116 A E E -E 124 0A 76 8,-2.6 8,-3.2 -2,-0.3 2,-0.1 -0.976 32.9 -61.5-161.2 175.4 12.2 34.6 34.7 117 117 A A E -E 123 0A 59 -2,-0.3 2,-0.4 6,-0.2 6,-0.2 -0.369 41.9-177.9 -62.7 126.5 15.3 35.5 32.7 118 118 A S - 0 0 45 4,-2.0 3,-0.3 -2,-0.1 4,-0.2 -0.956 60.5 -27.5-130.2 112.3 14.7 37.7 29.7 119 119 A G S S- 0 0 72 -2,-0.4 -1,-0.0 1,-0.2 0, 0.0 -0.351 103.3 -54.6 73.0-160.8 17.8 38.5 27.7 120 120 A R S S+ 0 0 207 -3,-0.1 -1,-0.2 -2,-0.1 -3,-0.0 0.720 129.2 23.6 -89.9 -22.2 21.2 38.6 29.4 121 121 A N S S+ 0 0 81 -3,-0.3 17,-0.1 17,-0.0 -2,-0.1 0.827 102.0 64.9-102.1 -78.5 20.4 41.2 32.1 122 122 A D - 0 0 32 -4,-0.2 -4,-2.0 15,-0.1 2,-0.4 0.204 57.8-137.8 -52.5 158.4 16.7 41.6 33.2 123 123 A L E -EF 117 135A 8 12,-1.7 11,-2.6 -6,-0.2 12,-1.1 -0.946 26.5-165.7-111.8 144.7 14.1 39.4 34.9 124 124 A V E -EF 116 133A 3 -8,-3.2 -8,-2.6 -2,-0.4 2,-0.4 -0.925 15.5-137.9-133.9 142.4 10.5 39.6 33.4 125 125 A V E -EF 115 132A 7 7,-2.5 7,-1.8 -2,-0.3 2,-0.4 -0.889 29.0-116.5-102.1 144.7 7.0 38.6 34.6 126 126 A K - 0 0 125 -12,-0.6 2,-0.3 -2,-0.4 5,-0.2 -0.627 41.0-176.3 -80.2 127.6 4.7 37.0 32.1 127 127 A T > - 0 0 47 -2,-0.4 3,-2.6 3,-0.4 -1,-0.0 -0.939 43.2-121.8-133.4 148.9 1.6 39.1 31.5 128 128 A V T 3 S+ 0 0 139 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.773 121.8 45.3 -49.8 -28.6 -1.7 39.0 29.6 129 129 A E T 3 S- 0 0 152 1,-0.4 -1,-0.3 -3,-0.0 2,-0.2 0.148 127.7 -94.5-105.1 15.2 -0.5 42.2 27.9 130 130 A G < - 0 0 31 -3,-2.6 -1,-0.4 2,-0.1 -3,-0.4 -0.504 69.2 -14.8 108.3-170.9 3.0 40.7 27.3 131 131 A D - 0 0 58 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.493 56.5-168.9 -73.9 132.6 6.5 40.7 29.0 132 132 A R E -F 125 0A 70 -7,-1.8 -7,-2.5 -2,-0.2 46,-0.3 -0.983 19.1-125.8-134.5 121.0 6.9 43.3 31.7 133 133 A K E +Fg 124 178A 39 44,-2.7 46,-2.0 -2,-0.4 -9,-0.2 -0.365 31.3 166.9 -74.8 129.0 10.3 44.1 33.2 134 134 A V E + 0 0 0 -11,-2.6 19,-2.7 1,-0.3 2,-0.3 0.543 65.5 24.5-114.4 -5.5 10.8 43.9 37.0 135 135 A S E -FH 123 152A 1 -12,-1.1 -12,-1.7 17,-0.2 -1,-0.3 -0.916 53.6-161.9-168.3 119.3 14.5 44.0 37.4 136 136 A G E + H 0 151A 14 15,-0.6 15,-2.3 -2,-0.3 2,-0.3 -0.791 24.4 168.4 -99.3 152.5 17.6 45.2 35.5 137 137 A S E - H 0 150A 19 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.910 22.8-146.0-149.3-176.0 21.0 43.9 36.4 138 138 A A E - H 0 149A 42 11,-2.1 11,-2.1 -2,-0.3 2,-0.3 -0.967 12.7-162.2-156.6 145.2 24.7 43.7 35.3 139 139 A Y E + H 0 148A 53 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.949 9.2 175.8-134.0 145.6 27.4 41.1 35.6 140 140 A R E - H 0 147A 83 7,-2.3 7,-2.3 -2,-0.3 2,-0.3 -0.989 15.1-151.1-149.0 143.6 31.1 40.8 35.4 141 141 A E E - H 0 146A 107 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.792 18.0-176.7-106.6 158.2 33.7 38.2 35.9 142 142 A T - 0 0 34 3,-2.7 842,-0.0 -2,-0.3 838,-0.0 -0.542 44.3 -82.1-133.1-168.1 37.2 38.9 37.1 143 143 A K S S+ 0 0 121 -2,-0.2 -1,-0.1 1,-0.1 -51,-0.1 0.996 125.8 15.2 -68.1 -63.9 40.3 36.8 37.7 144 144 A D S S+ 0 0 70 -53,-0.1 -52,-1.7 -3,-0.1 2,-0.3 0.490 129.7 25.2 -81.3 -12.0 39.5 35.6 41.2 145 145 A R E -D 91 0A 12 -54,-0.3 -3,-2.7 -121,-0.0 2,-0.3 -0.966 54.9-131.3-154.9 163.3 35.8 36.4 41.2 146 146 A G E -DH 90 141A 0 -56,-3.4 -56,-1.7 -2,-0.3 2,-0.4 -0.886 21.8-162.8-119.4 159.7 32.3 37.2 39.8 147 147 A F E +DH 89 140A 14 -7,-2.3 -7,-2.3 -2,-0.3 2,-0.4 -0.998 8.9 176.8-150.4 130.6 30.1 40.1 40.7 148 148 A H E +DH 88 139A 4 -60,-3.0 -60,-3.2 -2,-0.4 2,-0.4 -0.990 7.4 160.5-143.2 122.5 26.4 40.6 40.1 149 149 A H E +DH 87 138A 58 -11,-2.1 -11,-2.1 -2,-0.4 2,-0.3 -0.987 6.0 147.1-142.9 160.1 24.1 43.4 41.1 150 150 A G E -DH 86 137A 9 -64,-2.0 -64,-3.1 -2,-0.4 2,-0.4 -0.983 35.7 -97.9-172.9-179.6 20.9 44.8 40.1 151 151 A T E -DH 85 136A 32 -15,-2.3 -15,-0.6 -2,-0.3 2,-0.5 -0.859 14.1-153.3-117.9 142.7 17.7 46.5 41.0 152 152 A L E -DH 84 135A 0 -68,-3.2 -68,-2.2 -2,-0.4 2,-1.2 -0.986 23.9-132.7-109.5 131.1 14.2 45.2 41.7 153 153 A L E +D 83 0A 18 -19,-2.7 28,-1.6 -2,-0.5 -70,-0.2 -0.643 41.2 155.1 -87.4 94.7 11.5 47.7 40.9 154 154 A L S S- 0 0 8 -72,-1.6 28,-2.6 -2,-1.2 27,-0.2 0.962 82.1 -23.1 -86.6 -54.9 9.2 47.8 43.9 155 155 A N S S+ 0 0 91 -73,-2.0 2,-0.2 25,-0.2 -73,-0.2 -0.279 87.8 155.4-150.2 59.2 7.7 51.2 43.7 156 156 A A - 0 0 8 -74,-0.4 2,-1.1 -75,-0.1 24,-0.1 -0.592 48.0-121.9 -88.9 145.7 10.0 53.4 41.6 157 157 A D - 0 0 69 -2,-0.2 3,-0.3 1,-0.2 4,-0.2 -0.794 32.2-175.7 -78.2 108.0 9.1 56.4 39.6 158 158 A L S > S+ 0 0 98 -2,-1.1 3,-1.6 1,-0.2 4,-0.2 0.998 72.8 53.0 -60.3 -71.7 10.3 55.2 36.2 159 159 A S T >> S+ 0 0 75 1,-0.3 3,-0.9 2,-0.1 4,-0.5 0.463 84.6 88.9 -47.2 -19.0 9.7 58.4 34.1 160 160 A R H >> S+ 0 0 53 -3,-0.3 4,-0.7 1,-0.2 3,-0.7 0.792 73.0 68.6 -51.9 -34.8 11.7 60.8 36.4 161 161 A L H X> S+ 0 0 38 -3,-1.6 3,-1.6 -4,-0.2 4,-1.5 0.927 90.0 66.2 -56.5 -40.8 15.0 60.2 34.7 162 162 A A H <4 S+ 0 0 73 -3,-0.9 3,-0.4 1,-0.3 -1,-0.2 0.871 97.9 50.9 -45.9 -48.3 13.7 62.0 31.7 163 163 A N H << S+ 0 0 73 -3,-0.7 -1,-0.3 -4,-0.5 -2,-0.2 0.620 111.3 47.0 -71.9 -13.7 13.4 65.4 33.6 164 164 A Y H << S+ 0 0 3 -3,-1.6 -108,-4.7 -4,-0.7 -1,-0.2 0.652 102.1 74.1-101.2 -18.9 17.0 65.3 34.9 165 165 A L B < S-K 55 0C 50 -4,-1.5 -110,-0.2 -3,-0.4 -111,-0.1 -0.228 78.9-122.5 -80.4 179.2 18.6 64.4 31.6 166 166 A N - 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