==== 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 MEMBRANE PROTEIN 18-MAY-04 1T9T . COMPND 2 MOLECULE: ACRIFLAVINE RESISTANCE PROTEIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR E.W.YU,G.MCDERMOTT,H.NIKAIDO . 1014 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44809.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 660 65.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 7 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 11.7 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 53 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 354 34.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 22 2.2 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 4 7 1 6 1 2 0 3 3 1 2 0 2 1 1 3 1 0 0 0 0 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 1 0 0 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 PARALLEL BRIDGES PER LADDER . 5 5 3 5 2 0 4 1 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 . 4 0 2 0 1 0 0 0 1 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 7 A D 0 0 106 0, 0.0 425,-0.1 0, 0.0 480,-0.0 0.000 360.0 360.0 360.0-101.8 15.2 6.7 162.3 2 8 A R > - 0 0 153 1,-0.2 4,-0.7 486,-0.0 480,-0.2 -0.957 360.0-147.3-119.2 139.3 17.9 4.1 161.2 3 9 A P H >> S+ 0 0 43 0, 0.0 4,-1.6 0, 0.0 3,-1.5 0.992 83.2 48.1 -69.5 -81.7 20.7 5.0 158.8 4 10 A I H 3> S+ 0 0 93 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.732 107.3 52.9 -23.7 -64.7 21.7 2.0 156.5 5 11 A F H 3> S+ 0 0 126 1,-0.3 4,-1.0 2,-0.2 -1,-0.3 0.855 115.1 44.0 -52.7 -40.3 18.2 0.9 155.4 6 12 A A H < S+ 0 0 120 -4,-1.3 3,-2.1 -3,-0.2 2,-1.9 0.245 116.5 45.9 -83.2-141.7 22.0 3.8 139.9 16 22 A A T 3> S+ 0 0 35 1,-0.3 4,-1.7 2,-0.2 -3,-0.2 -0.016 119.8 43.8 42.1 -72.4 18.5 3.7 138.2 17 23 A G H 3> S+ 0 0 0 -2,-1.9 4,-1.1 -4,-0.5 -1,-0.3 0.895 118.7 43.2 -59.5 -47.0 18.6 7.5 137.6 18 24 A G H <> S+ 0 0 25 -3,-2.1 4,-0.7 -5,-0.4 -2,-0.2 0.793 112.6 53.8 -69.3 -31.8 22.2 7.4 136.5 19 25 A L H 4 S+ 0 0 91 1,-0.2 3,-0.5 2,-0.2 -2,-0.2 0.857 104.7 56.6 -65.1 -35.8 21.4 4.3 134.4 20 26 A A H >X S+ 0 0 1 -4,-1.7 3,-1.4 1,-0.2 4,-1.0 0.823 99.4 57.3 -67.7 -33.0 18.7 6.3 132.8 21 27 A I H 3< S+ 0 0 67 -4,-1.1 -1,-0.2 1,-0.3 -2,-0.2 0.753 107.7 48.8 -71.2 -24.7 21.1 9.0 131.7 22 28 A L T 3< S+ 0 0 153 -4,-0.7 -1,-0.3 -3,-0.5 -2,-0.2 0.009 122.8 34.6 -94.6 25.1 23.0 6.3 129.8 23 29 A K T <4 S+ 0 0 136 -3,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.394 98.2 76.7-159.2 1.6 19.8 5.0 128.2 24 30 A L S < S- 0 0 13 -4,-1.0 -1,-0.2 -5,-0.1 360,-0.1 -0.991 90.9 -81.7-131.9 133.5 17.2 7.8 127.5 25 31 A P - 0 0 38 0, 0.0 359,-2.5 0, 0.0 268,-0.1 0.153 28.6-160.8 -39.3 134.2 17.4 10.3 124.5 26 32 A V + 0 0 57 357,-0.2 267,-0.0 266,-0.1 357,-0.0 0.153 50.5 127.1 -98.7 17.6 19.8 13.2 125.0 27 33 A A - 0 0 10 265,-0.1 266,-0.1 1,-0.1 265,-0.0 0.100 60.9 -92.1 -79.1-179.0 18.1 15.2 122.2 28 34 A Q S S- 0 0 21 1,-0.2 -1,-0.1 357,-0.2 355,-0.1 0.301 80.1 -18.1 -69.7-159.8 16.5 18.7 121.9 29 35 A Y S S- 0 0 45 356,-0.2 -1,-0.2 1,-0.1 3,-0.1 -0.102 78.3-111.2 -40.9 142.4 12.9 19.8 122.5 30 36 A P - 0 0 23 0, 0.0 429,-0.1 0, 0.0 -1,-0.1 -0.469 55.1 -59.1 -83.6 156.5 10.4 16.8 122.3 31 37 A T + 0 0 86 1,-0.2 428,-0.2 260,-0.1 261,-0.0 -0.030 68.5 158.0 -36.6 111.0 7.9 16.3 119.5 32 38 A I + 0 0 35 620,-0.1 426,-0.2 -3,-0.1 -1,-0.2 0.826 44.5 75.0-105.2 -57.9 5.8 19.5 119.7 33 39 A A S S- 0 0 32 619,-0.2 58,-0.2 1,-0.1 3,-0.1 -0.295 92.6-104.5 -61.7 140.2 4.1 20.0 116.4 34 40 A P - 0 0 36 0, 0.0 56,-0.2 0, 0.0 54,-0.1 -0.559 52.7-104.7 -66.0 131.3 1.2 17.7 115.5 35 41 A P - 0 0 14 0, 0.0 53,-1.2 0, 0.0 2,-0.3 -0.252 41.2-170.8 -79.3 146.6 2.7 15.2 113.1 36 42 A A E -A 87 0A 13 90,-0.4 90,-1.6 51,-0.2 2,-0.2 -0.971 16.1-141.6-139.4 147.4 2.0 15.3 109.3 37 43 A V E -AB 86 125A 1 49,-1.7 49,-1.8 -2,-0.3 2,-0.4 -0.668 17.0-147.6-102.5 158.0 2.6 13.2 106.2 38 44 A T E -AB 85 124A 8 86,-2.0 86,-1.5 -2,-0.2 47,-0.2 -0.935 4.1-157.6-138.0 112.5 3.5 14.7 102.7 39 45 A I E -AB 84 123A 1 45,-1.3 45,-0.7 -2,-0.4 84,-0.2 -0.506 18.3-178.6 -75.6 153.5 2.6 13.4 99.3 40 46 A S E +A 83 0A 20 82,-1.2 43,-0.2 43,-0.2 2,-0.2 -0.690 7.3 167.1-164.1 104.6 5.0 14.5 96.5 41 47 A A E -A 82 0A 8 41,-0.9 41,-1.3 80,-0.2 2,-0.3 -0.461 19.1-145.3-106.7-179.1 4.8 13.8 92.7 42 48 A S E -A 81 0A 34 74,-0.2 39,-0.2 39,-0.2 77,-0.1 -0.851 13.1-172.9-156.9 116.6 6.5 15.2 89.7 43 49 A Y > - 0 0 48 37,-0.9 3,-0.9 -2,-0.3 2,-0.2 -0.857 31.0-141.1-104.4 91.4 5.3 15.8 86.1 44 50 A P T 3 S+ 0 0 37 0, 0.0 36,-0.2 0, 0.0 695,-0.1 -0.371 82.4 10.4 -63.5 121.5 8.6 16.9 84.3 45 51 A G T 3 S+ 0 0 54 34,-0.6 35,-0.2 1,-0.4 692,-0.1 -0.253 95.1 129.7 106.6 -41.2 7.8 19.7 81.8 46 52 A A < - 0 0 11 -3,-0.9 -1,-0.4 34,-0.2 -3,-0.1 -0.047 51.8-132.8 -51.1 143.2 4.2 20.3 83.0 47 53 A D > - 0 0 65 32,-0.1 4,-1.9 33,-0.1 5,-0.2 -0.262 34.4 -89.6 -87.0 179.9 3.1 23.9 83.7 48 54 A A H > S+ 0 0 0 1,-0.2 4,-1.3 2,-0.2 749,-0.1 0.895 125.8 47.4 -61.7 -45.1 1.2 25.0 86.8 49 55 A K H > S+ 0 0 73 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.828 108.9 56.3 -65.4 -33.9 -2.3 24.4 85.3 50 56 A T H >> S+ 0 0 43 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.970 111.6 39.7 -63.7 -56.2 -1.3 21.0 84.0 51 57 A V H 3X>S+ 0 0 0 -4,-1.9 5,-2.3 1,-0.2 4,-1.1 0.744 104.9 71.9 -63.8 -25.5 -0.3 19.6 87.4 52 58 A Q H 3<>S+ 0 0 32 -4,-1.3 5,-0.9 -5,-0.2 -1,-0.2 0.849 116.8 15.1 -61.1 -37.5 -3.2 21.3 89.1 53 59 A D H <<5S+ 0 0 86 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.131 123.8 56.3-131.2 19.7 -5.8 19.0 87.6 54 60 A T H <5S- 0 0 34 -4,-0.6 -3,-0.2 -3,-0.3 -2,-0.1 0.629 130.9 -0.4-113.9 -33.2 -3.9 16.0 86.3 55 61 A V T X5S+ 0 0 0 -4,-1.1 4,-2.1 -5,-0.3 5,-0.3 0.687 131.6 49.5-114.9 -60.6 -2.1 15.0 89.5 56 62 A T H >< S+ 0 0 2 -4,-2.1 3,-0.9 1,-0.2 -1,-0.2 0.804 111.0 56.5 -68.6 -30.9 -5.3 12.6 94.5 60 66 A E H >< S+ 0 0 16 -4,-1.4 3,-0.7 1,-0.3 -2,-0.2 0.823 104.7 49.4 -76.0 -33.9 -7.3 15.1 96.5 61 67 A Q T 3< S+ 0 0 156 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.1 -0.130 115.2 48.4 -92.9 35.3 -10.7 13.6 95.4 62 68 A N T < S+ 0 0 30 -3,-0.9 -1,-0.2 42,-0.1 45,-0.2 -0.133 84.3 94.7-159.2 42.0 -9.3 10.3 96.5 63 69 A M < + 0 0 9 -3,-0.7 2,-0.2 39,-0.0 3,-0.2 -0.312 64.4 105.8-135.0 44.2 -7.8 11.3 99.9 64 70 A N + 0 0 106 1,-0.2 3,-0.1 40,-0.1 -3,-0.0 -0.721 41.2 56.0-131.7 171.0 -10.7 10.3 102.1 65 71 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.885 73.6 146.4 70.3 41.6 -11.9 7.7 104.7 66 72 A I - 0 0 22 -3,-0.2 -1,-0.2 35,-0.0 2,-0.2 -0.941 52.1-119.8-119.2 127.8 -8.8 8.4 106.8 67 73 A D S S+ 0 0 109 -2,-0.4 -3,-0.0 -3,-0.1 0, 0.0 -0.476 84.2 5.4 -67.1 129.3 -8.7 8.2 110.6 68 74 A N S S+ 0 0 85 -2,-0.2 2,-0.2 1,-0.2 0, 0.0 0.721 71.1 152.9 64.1 127.4 -7.8 11.6 112.2 69 75 A L - 0 0 61 19,-0.1 19,-0.2 1,-0.1 -1,-0.2 -0.627 25.3-176.6 177.1 121.9 -7.3 14.7 110.0 70 76 A M S S- 0 0 64 17,-1.5 2,-0.3 1,-0.3 18,-0.1 0.897 70.9 -30.5 -87.8 -51.7 -7.6 18.5 110.7 71 77 A Y E -C 87 0A 20 16,-0.8 16,-1.1 2,-0.0 2,-0.3 -0.929 47.6-130.6-156.7 176.2 -7.0 19.8 107.2 72 78 A M E +C 86 0A 13 -2,-0.3 729,-1.9 14,-0.2 2,-0.3 -0.997 20.6 177.2-140.3 136.6 -5.2 19.4 103.9 73 79 A S E -CD 85 800A 32 12,-1.7 12,-1.6 -2,-0.3 2,-0.3 -0.797 6.1-171.8-126.9 173.9 -3.1 21.9 101.8 74 80 A S E -CD 84 799A 3 725,-1.2 725,-1.3 -2,-0.3 2,-0.3 -0.986 16.0-148.4-164.4 154.7 -1.2 21.8 98.5 75 81 A N E -C 83 0A 41 8,-1.1 8,-1.4 -2,-0.3 723,-0.2 -0.924 6.4-174.0-121.9 152.9 1.2 23.4 96.1 76 82 A S E -C 82 0A 0 -2,-0.3 721,-1.7 721,-0.3 6,-0.2 -0.634 17.2-169.2-147.9 85.3 1.4 23.1 92.3 77 83 A D E >> -CE 81 796A 20 4,-1.0 3,-0.8 719,-0.2 4,-0.7 -0.093 35.0-114.6 -73.7 170.3 4.4 24.9 90.8 78 84 A S T 34 S+ 0 0 57 717,-1.5 718,-0.1 1,-0.2 -1,-0.1 0.537 106.5 78.9 -79.9 -8.8 5.2 25.7 87.2 79 85 A T T 34 S- 0 0 37 716,-0.3 -34,-0.6 2,-0.1 -1,-0.2 0.465 119.1-100.6 -76.8 -1.8 8.3 23.4 87.4 80 86 A G T <4 S+ 0 0 0 -3,-0.8 -37,-0.9 1,-0.3 2,-0.3 0.954 82.5 125.5 77.1 56.8 5.9 20.4 87.0 81 87 A T E < -AC 42 77A 17 -4,-0.7 -4,-1.0 -39,-0.2 2,-0.3 -0.996 37.0-171.9-148.3 146.2 5.8 19.5 90.7 82 88 A V E -AC 41 76A 6 -41,-1.3 -41,-0.9 -2,-0.3 2,-0.3 -0.982 2.6-179.1-139.8 149.3 3.1 19.0 93.4 83 89 A Q E -AC 40 75A 93 -8,-1.4 -8,-1.1 -2,-0.3 2,-0.3 -0.830 7.0-165.0-155.9 111.5 3.2 18.4 97.2 84 90 A I E -AC 39 74A 2 -45,-0.7 -45,-1.3 -2,-0.3 2,-0.5 -0.752 6.4-154.7 -98.6 140.7 0.3 17.8 99.6 85 91 A T E -AC 38 73A 35 -12,-1.6 -12,-1.7 -2,-0.3 2,-0.8 -0.965 5.0-168.9-115.2 113.9 0.4 18.1 103.4 86 92 A L E -AC 37 72A 0 -49,-1.8 -49,-1.7 -2,-0.5 2,-0.3 -0.887 14.5-160.3 -98.0 103.8 -2.1 16.1 105.4 87 93 A T E -AC 36 71A 10 -16,-1.1 -17,-1.5 -2,-0.8 -16,-0.8 -0.647 8.1-164.5 -87.4 143.6 -1.8 17.4 108.9 88 94 A F - 0 0 2 -53,-1.2 -20,-0.1 -2,-0.3 3,-0.1 -0.503 28.0 -72.1-117.9-178.2 -3.2 15.2 111.8 89 95 A E > - 0 0 66 -2,-0.2 3,-1.3 1,-0.1 2,-0.3 -0.237 61.9 -82.1 -72.4 166.8 -4.1 15.6 115.5 90 96 A S T 3 S+ 0 0 70 1,-0.2 -1,-0.1 -56,-0.2 3,-0.1 -0.535 114.7 14.2 -74.1 133.0 -1.5 16.0 118.2 91 97 A G T 3 S+ 0 0 67 1,-0.3 -1,-0.2 -2,-0.3 2,-0.2 0.584 87.7 148.6 77.4 11.8 0.0 12.7 119.4 92 98 A T < - 0 0 25 -3,-1.3 2,-0.4 1,-0.1 -1,-0.3 -0.579 58.9-103.3 -73.5 138.4 -1.3 10.8 116.4 93 99 A D > - 0 0 102 -2,-0.2 4,-1.5 1,-0.2 5,-0.1 -0.515 24.8-160.1 -64.9 119.2 1.0 8.0 115.4 94 100 A A H > S+ 0 0 15 -2,-0.4 4,-0.9 195,-0.2 -1,-0.2 0.646 88.0 65.8 -72.0 -16.7 2.9 9.1 112.3 95 101 A D H > S+ 0 0 107 2,-0.2 4,-0.8 1,-0.1 3,-0.4 0.978 108.2 32.8 -67.3 -60.4 3.6 5.4 111.6 96 102 A I H >> S+ 0 0 100 1,-0.2 4,-0.7 2,-0.2 3,-0.5 0.864 119.3 54.4 -64.7 -36.6 0.0 4.3 111.0 97 103 A A H 3X S+ 0 0 4 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.696 96.2 65.5 -75.0 -20.7 -0.9 7.7 109.4 98 104 A Q H 3< S+ 0 0 57 -4,-0.9 -1,-0.2 -3,-0.4 -2,-0.2 0.834 111.7 36.7 -68.4 -33.9 2.0 7.4 106.9 99 105 A V H X< S+ 0 0 77 -4,-0.8 3,-2.7 -3,-0.5 5,-0.3 0.839 109.4 57.5 -75.2-100.5 0.2 4.5 105.4 100 106 A Q H 3< S+ 0 0 54 -4,-0.7 -3,-0.1 1,-0.3 -2,-0.1 0.428 100.8 60.5 16.7 -65.1 -3.5 5.4 105.6 101 107 A V T 3< S+ 0 0 0 -4,-1.3 -1,-0.3 -5,-0.1 2,-0.3 0.517 111.4 48.1 -55.6 -7.1 -2.8 8.6 103.6 102 108 A Q S < S+ 0 0 64 -3,-2.7 -39,-0.0 3,-0.1 21,-0.0 -0.981 98.6 41.0-150.7 149.0 -1.7 6.2 100.8 103 109 A A S S+ 0 0 46 -2,-0.3 -3,-0.1 0, 0.0 -1,-0.1 0.180 110.6 72.0 74.0 -10.7 -3.2 3.1 99.2 104 110 A K S S+ 0 0 76 -5,-0.3 -42,-0.1 -4,-0.1 -40,-0.1 -0.440 101.6 44.7-111.2 44.6 -6.0 5.6 99.8 105 111 A L S S+ 0 0 10 -42,-0.1 2,-1.3 -45,-0.0 -3,-0.1 0.098 95.5 65.0-141.3-117.1 -4.1 7.3 96.9 106 112 A Q S S+ 0 0 102 1,-0.4 2,-0.5 2,-0.3 3,-0.2 0.285 77.9 84.8 40.2 -49.4 -3.3 4.7 94.4 107 113 A L S S+ 0 0 86 -2,-1.3 -1,-0.4 -45,-0.2 -3,-0.0 -0.220 106.0 37.0 -64.8 39.5 -7.0 4.2 93.8 108 114 A A S > S+ 0 0 2 -2,-0.5 3,-0.7 4,-0.0 -2,-0.3 0.333 86.8 90.9-175.9 -23.9 -5.8 7.2 91.6 109 115 A M G > S+ 0 0 28 1,-0.2 3,-1.2 -3,-0.2 -2,-0.1 0.866 90.4 53.8 -60.0 -40.7 -2.3 6.3 90.3 110 116 A P G 3 S+ 0 0 92 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.662 102.9 58.4 -65.0 -17.2 -3.9 4.7 87.2 111 117 A L G < S+ 0 0 121 -3,-0.7 -2,-0.2 -5,-0.1 -53,-0.1 0.390 95.7 82.2 -92.2 0.5 -5.9 8.0 86.6 112 118 A L S < S- 0 0 10 -3,-1.2 -57,-0.1 -4,-0.2 -3,-0.0 -0.543 95.2 -82.9 -96.9 165.8 -2.6 10.0 86.4 113 119 A P > - 0 0 20 0, 0.0 4,-1.4 0, 0.0 3,-0.5 -0.315 32.9-120.9 -63.2 153.1 -0.3 10.3 83.3 114 120 A Q H > S+ 0 0 127 1,-0.2 4,-1.4 2,-0.2 5,-0.1 0.659 112.3 65.3 -68.1 -17.7 2.2 7.6 82.6 115 121 A E H 4 S+ 0 0 68 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.871 105.0 41.8 -68.9 -39.7 4.9 10.3 82.9 116 122 A V H 4 S+ 0 0 1 -3,-0.5 -74,-0.2 2,-0.2 -2,-0.2 0.791 108.6 59.7 -79.7 -30.9 4.1 10.8 86.6 117 123 A Q H < S+ 0 0 92 -4,-1.4 4,-0.3 1,-0.2 -2,-0.2 0.944 109.5 42.2 -60.9 -50.5 3.8 7.1 87.4 118 124 A Q S < S+ 0 0 76 -4,-1.4 -1,-0.2 2,-0.1 -2,-0.2 0.613 108.8 78.1 -73.2 -14.8 7.3 6.3 86.3 119 125 A Q S S- 0 0 24 -4,-0.4 2,-1.2 -77,-0.1 -76,-0.1 -0.282 104.4 -68.9 -84.4 179.5 8.5 9.5 88.1 120 126 A G + 0 0 50 -2,-0.1 2,-0.2 -79,-0.1 -2,-0.1 -0.595 51.2 174.6 -83.1 92.9 9.1 9.8 91.8 121 127 A V - 0 0 45 -2,-1.2 2,-0.3 -4,-0.3 -80,-0.2 -0.586 16.9-175.6 -80.5 157.6 5.8 9.7 93.8 122 128 A S - 0 0 45 -2,-0.2 -82,-1.2 -82,-0.0 2,-0.4 -0.970 32.1-167.6-162.6 140.9 6.4 9.7 97.5 123 129 A V E +B 39 0A 23 -2,-0.3 2,-0.2 -84,-0.2 -84,-0.2 -0.888 38.2 149.9-132.5 101.4 4.7 9.5 100.9 124 130 A E E -B 38 0A 58 -86,-1.5 -86,-2.0 -2,-0.4 2,-0.5 -0.697 49.4 -93.8-130.6 173.5 7.1 10.5 103.7 125 131 A K E -B 37 0A 37 42,-0.4 -88,-0.2 -2,-0.2 2,-0.2 -0.835 43.9-151.8 -99.1 127.6 7.3 12.0 107.2 126 132 A S + 0 0 21 -90,-1.6 -90,-0.4 -2,-0.5 163,-0.2 -0.527 28.3 173.8-104.6 161.4 7.9 15.8 107.2 127 133 A S - 0 0 35 -2,-0.2 160,-0.3 161,-0.1 161,-0.0 -0.203 38.3-130.1-161.2 55.5 9.6 18.3 109.6 128 134 A S S S+ 0 0 68 158,-0.1 2,-0.2 159,-0.0 -2,-0.0 0.319 82.6 53.7 -15.4 75.2 9.7 21.7 107.8 129 135 A S S S- 0 0 50 158,-0.1 158,-0.7 525,-0.0 2,-0.2 -0.690 74.6-122.8 156.2 146.9 13.4 22.2 108.6 130 136 A F E -J 286 0B 10 -2,-0.2 156,-0.2 156,-0.2 3,-0.1 -0.453 14.3-174.2 -96.7 177.0 16.8 20.5 108.2 131 137 A L E S+ 0 0 16 154,-1.6 2,-0.3 1,-0.7 -1,-0.1 0.357 72.5 33.3-131.7 -75.8 19.3 19.6 111.0 132 138 A M E - 0 0 13 190,-0.2 153,-1.0 153,-0.2 -1,-0.7 -0.687 58.3-179.2 -81.6 138.8 22.5 18.3 109.4 133 139 A V E -J 284 0B 0 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43.3-125.4 -2.7 26.0 24.8 130.8 334 340 A V T > S+ 0 0 4 -3,-0.5 4,-3.6 2,-0.2 -2,-0.2 0.776 118.5 42.7 -97.5 -52.8 23.0 23.3 132.6 335 341 A V H X S+ 0 0 69 -4,-2.7 4,-1.2 2,-0.2 -3,-0.2 0.710 117.9 50.4 -61.9 -21.7 24.9 20.5 134.3 336 342 A K H > S+ 0 0 99 -5,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.897 109.6 48.3 -74.9 -48.7 27.4 23.3 134.9 337 343 A T H > S+ 0 0 0 -4,-0.4 4,-1.8 1,-0.2 -2,-0.2 0.933 108.7 56.3 -52.2 -53.6 24.6 25.5 136.3 338 344 A L H X S+ 0 0 30 -4,-3.6 4,-1.0 1,-0.2 3,-0.5 0.915 107.1 47.6 -35.8 -60.3 23.6 22.6 138.4 339 345 A V H X S+ 0 0 71 -4,-1.2 4,-2.3 1,-0.2 3,-0.3 0.840 110.1 51.6 -61.8 -37.7 27.1 22.3 140.0 340 346 A E H X S+ 0 0 80 -4,-1.9 4,-1.4 1,-0.2 -1,-0.2 0.790 105.3 56.5 -70.0 -29.4 27.3 26.1 140.7 341 347 A A H X S+ 0 0 2 -4,-1.8 4,-0.9 -3,-0.5 -1,-0.2 0.715 111.3 43.7 -75.0 -23.5 23.9 26.0 142.4 342 348 A I H X S+ 0 0 34 -4,-1.0 4,-2.4 -3,-0.3 3,-0.4 0.946 111.0 52.1 -77.9 -65.4 25.2 23.3 144.8 343 349 A I H X S+ 0 0 101 -4,-2.3 4,-0.8 1,-0.3 -2,-0.2 0.750 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6,-0.1 -0.959 65.3-164.6-121.9 112.1 25.8 26.7 160.7 354 360 A Q + 0 0 100 -2,-0.5 2,-0.2 -3,-0.2 -1,-0.1 0.632 57.9 111.8 -70.9 -14.9 29.6 26.6 161.2 355 361 A N > - 0 0 47 1,-0.2 4,-1.4 -6,-0.1 -2,-0.1 -0.455 61.1-151.8 -59.6 124.6 29.5 22.8 161.7 356 362 A F T 4 S+ 0 0 130 -2,-0.2 -1,-0.2 1,-0.2 -7,-0.0 0.773 95.4 47.3 -72.5 -28.8 31.2 21.3 158.6 357 363 A R T 4 S+ 0 0 124 134,-0.2 4,-0.5 1,-0.2 3,-0.3 0.675 107.2 56.6 -86.4 -20.4 29.2 18.1 158.8 358 364 A A T 4 S+ 0 0 1 1,-0.2 2,-1.4 2,-0.2 3,-0.5 0.808 99.2 61.1 -76.8 -34.2 25.9 20.0 159.2 359 365 A T S < S+ 0 0 0 -4,-1.4 -1,-0.2 1,-0.2 -9,-0.1 -0.524 101.5 58.9 -84.9 64.7 26.6 21.8 155.9 360 366 A L S > S+ 0 0 54 -2,-1.4 4,-1.4 -3,-0.3 5,-0.2 0.351 79.9 74.1-163.3 -40.0 26.6 18.4 154.2 361 367 A I H > S+ 0 0 2 -3,-0.5 4,-0.9 -4,-0.5 3,-0.5 0.928 106.2 40.5 -55.0 -50.3 23.2 16.7 154.8 362 368 A P H > S+ 0 0 3 0, 0.0 4,-1.3 0, 0.0 -1,-0.2 0.738 110.0 60.9 -71.8 -22.7 21.5 19.1 152.3 363 369 A T H 4 S+ 0 0 29 1,-0.2 -2,-0.2 2,-0.2 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1,-0.2 -1,-0.3 0.779 100.3 57.1 -73.9 -29.2 13.7 12.1 138.7 374 380 A F H S+ 0 0 4 -4,-1.6 4,-0.8 2,-0.2 5,-0.7 0.828 108.8 55.9 -69.5 -34.6 10.9 10.4 133.1 378 384 A A H <5S+ 0 0 35 -4,-1.6 3,-0.3 1,-0.2 -1,-0.2 0.887 110.6 44.5 -60.1 -41.5 12.5 7.2 131.7 379 385 A A H <5S+ 0 0 86 -4,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.715 114.6 48.9 -76.8 -22.8 9.5 5.2 133.0 380 386 A F H <5S- 0 0 134 -4,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.460 117.1-106.5 -99.1 -4.1 6.9 7.8 131.8 381 387 A G T <5S+ 0 0 68 -4,-0.8 -3,-0.2 -3,-0.3 -4,-0.1 0.052 74.2 126.9 108.5 -24.9 8.3 8.2 128.2 382 388 A F < - 0 0 34 -5,-0.7 -1,-0.3 -6,-0.1 2,-0.2 -0.004 43.1-143.4 -66.5 171.2 10.0 11.6 128.3 383 389 A S - 0 0 18 -359,-0.1 2,-1.8 -355,-0.1 5,-0.2 -0.657 38.2 -77.6-122.5 177.2 13.6 12.4 127.3 384 390 A I S S+ 0 0 11 -359,-2.5 2,-0.1 -2,-0.2 -10,-0.0 -0.636 70.2 175.0 -75.4 81.1 16.4 14.7 128.4 385 391 A N > - 0 0 2 -2,-1.8 4,-1.5 1,-0.1 -356,-0.2 -0.387 49.9-110.6 -86.3 164.9 14.8 17.7 126.7 386 392 A T H > S+ 0 0 12 2,-0.2 4,-1.1 1,-0.1 -1,-0.1 0.849 122.9 47.8 -57.0 -36.1 15.8 21.4 126.7 387 393 A L H >> S+ 0 0 30 2,-0.2 4,-1.0 1,-0.2 3,-0.5 0.982 109.8 46.6 -68.4 -60.2 12.6 21.8 128.8 388 394 A T H 3> S+ 0 0 2 1,-0.3 4,-0.5 2,-0.2 -1,-0.2 0.683 108.7 57.2 -64.0 -20.3 13.1 19.0 131.4 389 395 A M H >X S+ 0 0 17 -4,-1.5 3,-0.8 2,-0.2 4,-0.7 0.890 106.4 48.2 -74.8 -43.3 16.7 19.9 132.0 390 396 A F H S+ 0 0 4 -2,-2.0 4,-0.7 -3,-0.4 -1,-0.2 0.210 104.5 46.5-170.5 -53.0 14.7 20.6 146.7 400 406 A V H X S+ 0 0 7 -4,-1.1 4,-2.3 -3,-0.5 -2,-0.2 0.639 106.2 66.4 -79.0 -19.6 17.3 21.9 149.1 401 407 A D H X S+ 0 0 2 -4,-1.2 4,-1.4 2,-0.2 -1,-0.2 0.933 104.6 41.1 -60.1 -49.7 14.4 23.9 150.6 402 408 A D H > S+ 0 0 0 1,-0.2 4,-0.7 2,-0.2 -2,-0.2 0.736 116.6 51.5 -71.7 -24.2 12.8 20.6 151.8 403 409 A A H X S+ 0 0 3 -4,-0.7 4,-1.0 2,-0.1 -2,-0.2 0.854 107.2 53.5 -74.1 -36.8 16.3 19.4 152.8 404 410 A I H X S+ 0 0 2 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.857 101.9 54.2 -72.5 -39.8 17.0 22.5 154.8 405 411 A V H X S+ 0 0 7 -4,-1.4 4,-1.7 1,-0.2 5,-0.2 0.928 107.2 48.5 -67.7 -49.2 14.0 22.6 157.2 406 412 A V H < S+ 0 0 0 -4,-0.7 4,-0.4 1,-0.2 -1,-0.2 0.847 116.7 45.0 -57.3 -35.8 14.4 19.1 158.6 407 413 A V H X S+ 0 0 3 -4,-1.0 4,-1.2 2,-0.2 3,-0.4 0.921 116.6 40.5 -75.1 -47.4 18.1 19.7 159.3 408 414 A E H X S+ 0 0 0 -4,-2.4 4,-1.0 1,-0.2 -2,-0.2 0.626 105.8 63.6 -85.0 -16.1 18.0 23.1 160.9 409 415 A N H X S+ 0 0 5 -4,-1.7 4,-1.3 -5,-0.2 -1,-0.2 0.672 105.2 48.8 -77.3 -21.1 14.8 22.4 162.9 410 416 A V H > S+ 0 0 0 -3,-0.4 4,-1.1 -4,-0.4 -2,-0.2 0.852 103.7 62.2 -72.8 -41.1 17.0 19.8 164.6 411 417 A E H < S+ 0 0 26 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.772 108.8 40.0 -59.3 -29.9 19.7 22.6 165.0 412 418 A R H >X>S+ 0 0 21 -4,-1.0 4,-3.9 1,-0.1 3,-1.3 0.916 112.0 54.7 -79.1 -48.1 17.3 24.6 167.2 413 419 A V H 3<5S+ 0 0 23 -4,-1.3 -2,-0.2 1,-0.3 -1,-0.1 0.567 103.1 59.6 -66.5 -6.5 16.0 21.6 169.1 414 420 A M T 3<5S+ 0 0 7 -4,-1.1 -1,-0.3 4,-0.2 -2,-0.1 -0.189 124.6 17.8-104.3 37.1 19.6 20.9 169.9 415 421 A A T X45S+ 0 0 72 -3,-1.3 3,-0.8 3,-0.2 -2,-0.2 0.194 112.9 66.3-172.4 -53.3 20.0 24.3 171.6 416 422 A E T 3<5S+ 0 0 74 -4,-3.9 -3,-0.2 1,-0.2 -2,-0.1 0.795 136.4 7.5 -49.0 -34.4 16.5 25.6 172.4 417 423 A E T 3 > S- 0 0 57 0, 0.0 3,-1.4 0, 0.0 4,-1.0 0.406 84.7 -95.8 -62.0 174.0 20.6 12.7 170.3 422 428 A K H 3> S+ 0 0 69 1,-0.2 4,-1.3 2,-0.2 3,-0.2 0.848 118.2 61.5 -40.5 -49.1 18.4 10.6 168.1 423 429 A E H 3> S+ 0 0 105 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.710 95.4 60.8 -65.0 -23.3 15.2 11.5 170.0 424 430 A A H <4 S+ 0 0 5 -3,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.975 104.2 50.0 -60.3 -57.5 15.7 15.3 169.2 425 431 A T H >X S+ 0 0 4 -4,-1.0 4,-1.1 -5,-0.2 3,-0.8 0.831 109.8 54.4 -41.7 -42.3 15.4 14.3 165.5 426 432 A R H >< S+ 0 0 108 -4,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.953 109.3 41.1 -67.1 -54.6 12.2 12.4 166.4 427 433 A K T 3< S+ 0 0 145 -4,-1.8 -1,-0.2 1,-0.2 4,-0.2 0.129 105.9 67.4 -87.3 20.5 10.1 15.0 168.1 428 434 A S T X> S+ 0 0 1 -3,-0.8 4,-1.7 -4,-0.2 3,-0.6 0.695 94.8 54.3-100.7 -36.6 11.2 17.7 165.6 429 435 A M H X S+ 0 0 5 -4,-1.7 4,-1.2 2,-0.1 3,-0.9 0.880 105.9 53.1 -95.4 -44.2 8.1 19.6 160.9 433 439 A Q H 3X S+ 0 0 72 -4,-0.8 4,-1.3 1,-0.3 5,-0.4 0.808 88.2 76.7 -77.4 -29.8 6.2 16.7 159.1 434 440 A G H 3> S+ 0 0 16 -4,-0.4 4,-0.5 -5,-0.3 -1,-0.3 0.851 110.0 34.9 -42.5 -40.1 2.7 18.0 159.7 435 441 A A H X> S+ 0 0 4 -3,-0.9 3,-2.5 -4,-0.2 4,-1.0 0.944 102.8 72.7 -71.7 -83.2 3.7 20.3 156.9 436 442 A L H 3X S+ 0 0 4 -4,-1.2 4,-1.1 1,-0.3 -2,-0.2 0.402 106.9 35.0 -0.2 -58.6 5.9 18.1 154.7 437 443 A V H 3X S+ 0 0 53 -4,-1.3 4,-1.3 2,-0.2 -1,-0.3 0.887 120.5 50.3 -76.9 -42.4 3.1 15.9 153.2 438 444 A G H X S+ 0 0 4 -4,-2.6 4,-0.9 1,-0.2 3,-0.5 0.861 114.0 42.4 -56.1 -38.6 3.1 22.1 145.5 444 450 A S H 3X S+ 0 0 33 -4,-1.0 4,-1.3 -5,-0.2 -2,-0.2 0.744 104.1 66.8 -76.4 -28.1 1.4 19.4 143.4 445 451 A A H 34 S+ 0 0 2 -4,-0.3 420,-0.7 1,-0.2 419,-0.3 0.480 110.7 34.5 -73.6 -5.1 -1.9 21.4 143.5 446 452 A V H <4 S+ 0 0 7 -3,-0.5 4,-0.3 -4,-0.4 -1,-0.2 0.600 123.7 42.7-109.5 -24.0 -0.3 24.2 141.5 447 453 A F H X S+ 0 0 10 -4,-0.9 4,-0.6 -5,-0.2 3,-0.4 0.951 111.3 41.9 -95.2 -59.2 2.0 22.1 139.2 448 454 A V T < S+ 0 0 55 -4,-1.3 3,-0.4 1,-0.2 -3,-0.1 0.835 112.5 54.5 -64.7 -39.3 0.2 19.0 137.9 449 455 A P T >4 S+ 0 0 8 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.796 104.7 54.8 -62.9 -29.9 -3.1 20.8 137.2 450 456 A M T 34 S+ 0 0 1 -3,-0.4 3,-0.5 -4,-0.3 -2,-0.2 0.636 96.1 69.7 -75.5 -16.9 -1.2 23.3 135.0 451 457 A A T 3< + 0 0 8 -4,-0.6 -1,-0.3 -3,-0.4 11,-0.1 -0.269 68.2 94.9 -89.1 41.7 0.0 20.1 133.3 452 458 A F < + 0 0 138 -3,-0.6 -1,-0.2 9,-0.1 -2,-0.1 -0.052 66.5 159.1-113.4 21.0 -3.5 19.7 131.9 453 459 A F - 0 0 74 -3,-0.5 2,-0.2 8,-0.3 5,-0.2 0.587 29.2-142.2 -2.8 172.5 -2.1 21.6 128.8 454 460 A G B > -W 457 0G 19 3,-0.9 3,-0.7 395,-0.1 2,-0.2 -0.805 43.3 -21.3-169.6 126.4 -3.5 21.6 125.3 455 461 A G T 3 S- 0 0 30 -2,-0.2 3,-0.3 1,-0.2 393,-0.2 -0.513 116.4 -9.8 89.4-144.0 -2.2 21.6 121.7 456 462 A S T 3 S+ 0 0 13 391,-0.5 -1,-0.2 1,-0.3 3,-0.2 0.574 131.0 65.1 -74.6 -11.0 1.2 22.6 120.4 457 463 A T B <> S+W 454 0G 0 -3,-0.7 -3,-0.9 390,-0.5 4,-0.7 -0.404 80.2 117.3 -91.3 48.8 1.7 24.0 123.9 458 464 A G T 4 S+ 0 0 4 -3,-0.3 3,-0.4 1,-0.2 -5,-0.2 0.982 76.4 24.2 -83.1 -71.8 1.5 20.2 124.6 459 465 A A T 4 S+ 0 0 3 -428,-0.2 -1,-0.2 1,-0.2 -72,-0.1 0.018 114.0 79.6 -81.2 29.2 4.8 19.1 126.1 460 466 A I T 4 S+ 0 0 16 -3,-0.1 -1,-0.2 3,-0.1 -2,-0.1 0.855 104.3 20.5-109.6 -54.2 5.3 22.7 127.2 461 467 A Y S < S+ 0 0 5 -4,-0.7 -8,-0.3 -3,-0.4 -2,-0.1 0.119 125.2 64.8 -96.5 17.4 3.3 23.2 130.3 462 468 A R 0 0 74 -4,-0.1 5,-0.4 -11,-0.1 -3,-0.2 0.835 360.0 360.0-102.6 -82.6 3.4 19.4 130.7 463 469 A Q 0 0 14 3,-0.1 4,-0.2 4,-0.1 5,-0.2 0.682 360.0 360.0 -51.2 360.0 7.0 18.4 131.2 464 ! 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 0.0 465 471 A S 0 0 7 0, 0.0 2,-4.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0-153.6 5.5 20.3 135.8 466 472 A I > + 0 0 40 1,-0.3 4,-2.5 2,-0.1 5,-0.3 -0.048 360.0 60.0 46.7 -57.6 5.4 16.5 136.5 467 473 A T H > S+ 0 0 1 -2,-4.5 4,-0.8 -5,-0.4 -1,-0.3 0.896 108.9 46.0 -48.7 -45.3 9.2 16.6 135.7 468 474 A I H > S+ 0 0 12 -3,-0.3 4,-0.6 -5,-0.2 -1,-0.2 0.721 114.0 47.0 -60.2 -27.5 9.1 19.0 138.7 469 475 A V H > S+ 0 0 21 2,-0.3 4,-3.3 -3,-0.2 5,-0.2 0.763 101.8 57.3-103.8 -39.6 6.9 16.8 140.9 470 476 A S H X S+ 0 0 14 -4,-2.5 4,-0.8 2,-0.2 -1,-0.2 0.892 114.7 47.1 -48.3 -41.8 8.6 13.5 140.5 471 477 A A H X S+ 0 0 4 -4,-0.8 4,-1.2 -5,-0.3 -2,-0.3 0.829 112.6 47.1 -70.3 -35.6 11.4 15.7 141.9 472 478 A M H X S+ 0 0 8 -4,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.900 112.9 47.1 -72.8 -44.2 9.2 17.2 144.6 473 479 A A H X S+ 0 0 46 -4,-3.3 4,-1.5 1,-0.2 -1,-0.2 0.653 112.5 51.9 -73.2 -17.9 7.8 13.9 145.8 474 480 A L H X S+ 0 0 22 -4,-0.8 4,-3.3 -5,-0.2 -1,-0.2 0.745 106.7 52.3 -83.6 -30.7 11.3 12.5 145.8 475 481 A S H X S+ 0 0 1 -4,-1.2 4,-1.0 2,-0.2 -2,-0.2 0.773 112.3 46.5 -71.8 -29.3 12.5 15.5 147.9 476 482 A V H X S+ 0 0 14 -4,-1.5 4,-0.5 2,-0.2 -2,-0.2 0.904 114.7 47.1 -71.0 -47.8 9.7 14.6 150.3 477 483 A L H >X S+ 0 0 85 -4,-1.5 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