==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ANTIBIOTIC 13-NOV-03 1RH1 . COMPND 2 MOLECULE: COLICIN B; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.L.HILSENBECK,H.PARK,G.CHEN,B.YOUN,K.POSTLE,C.KANG . 488 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22177.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 71.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 18 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 12.1 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 0.2 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 . 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 . 43 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 51 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 157 32.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.0 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 1 0 1 0 0 1 0 1 2 1 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 4 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 PARALLEL BRIDGES PER LADDER . 0 1 2 2 1 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 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 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 10 A T 0 0 105 0, 0.0 141,-0.0 0, 0.0 140,-0.0 0.000 360.0 360.0 360.0-177.9 6.7 91.3 39.7 2 11 A E > + 0 0 93 169,-0.1 3,-0.7 4,-0.0 5,-0.4 0.319 360.0 153.3-150.7 -48.4 5.2 90.3 43.0 3 12 A G G > - 0 0 30 1,-0.2 3,-0.9 2,-0.2 4,-0.0 0.090 65.2 -17.2 53.6-147.0 2.5 87.7 42.2 4 13 A I G 3 S+ 0 0 140 1,-0.2 -1,-0.2 2,-0.1 0, 0.0 0.566 116.4 85.6 -69.8 -18.6 1.0 84.9 44.2 5 14 A D G X S- 0 0 27 -3,-0.7 3,-1.6 1,-0.1 4,-0.3 0.811 75.0-157.5 -50.1 -45.0 4.1 85.1 46.5 6 15 A Y G X - 0 0 174 -3,-0.9 3,-1.0 -4,-0.4 4,-0.3 0.795 65.3 -72.0 53.2 38.6 2.6 87.8 48.7 7 16 A G G 3 S- 0 0 0 -5,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.418 74.4 -84.4 60.4 13.3 6.1 88.8 49.6 8 17 A D G < S- 0 0 8 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.1 0.950 101.1 -33.9 40.4 64.5 6.3 85.5 51.7 9 18 A T S < S+ 0 0 54 -3,-1.0 2,-0.4 -4,-0.3 -1,-0.2 0.456 112.3 133.1 74.6 18.8 4.7 87.3 54.6 10 19 A M - 0 0 22 -4,-0.3 229,-0.2 229,-0.1 -1,-0.2 -0.763 44.2-148.7-103.5 137.0 6.3 90.7 53.8 11 20 A V E -a 239 0A 76 227,-3.2 229,-2.0 -2,-0.4 2,-0.3 -0.606 32.6-100.5 -89.8 153.4 4.6 94.2 53.7 12 21 A V E -a 240 0A 88 227,-0.3 229,-0.2 -2,-0.2 -1,-0.1 -0.549 20.5-158.9 -83.2 135.8 6.0 96.9 51.3 13 22 A W E -a 241 0A 12 227,-2.4 229,-1.5 -2,-0.3 2,-0.5 -0.974 26.2-132.7-103.4 115.8 8.2 99.7 52.5 14 23 A P - 0 0 89 0, 0.0 227,-0.1 0, 0.0 -2,-0.0 -0.651 38.4-109.9 -70.1 116.5 7.7 102.3 49.7 15 24 A S - 0 0 19 -2,-0.5 -3,-0.0 1,-0.1 225,-0.0 -0.006 16.7-108.4 -56.7 156.6 11.3 103.2 49.1 16 25 A T - 0 0 58 1,-0.1 -1,-0.1 -3,-0.1 252,-0.0 0.823 65.8 -95.0 -51.7 -37.5 13.0 106.5 50.0 17 26 A G - 0 0 44 2,-0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.295 52.8 -81.3 162.1 -69.6 13.2 107.5 46.3 18 27 A R - 0 0 64 2,-0.1 99,-0.1 98,-0.0 250,-0.1 0.256 54.7 -99.4 128.1 105.5 16.5 106.7 44.7 19 28 A I + 0 0 36 99,-0.1 99,-0.3 97,-0.1 2,-0.3 -0.711 66.4 132.7 -79.3 108.2 19.4 109.2 45.3 20 29 A P 0 0 60 0, 0.0 95,-0.3 0, 0.0 -2,-0.1 -0.664 360.0 360.0 -37.6 123.9 20.1 111.4 43.0 21 30 A G 0 0 94 93,-0.6 94,-0.2 -2,-0.3 92,-0.1 0.372 360.0 360.0-178.3 360.0 20.2 114.1 45.7 22 ! 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 23 44 A S 0 0 137 0, 0.0 35,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -52.1 26.7 117.4 25.8 24 45 A M + 0 0 146 0, 0.0 3,-0.0 0, 0.0 34,-0.0 0.598 360.0 70.6 40.4 171.9 24.6 114.6 24.0 25 46 A P > - 0 0 103 0, 0.0 3,-1.0 0, 0.0 37,-0.0 0.834 69.3-112.3 -79.2 163.3 23.8 112.2 22.3 26 47 A P T 3 S+ 0 0 50 0, 0.0 36,-0.3 0, 0.0 35,-0.2 -0.226 93.6 51.1 -62.3 135.8 25.1 108.9 23.9 27 48 A G T 3 S+ 0 0 19 33,-1.6 4,-0.4 34,-0.9 35,-0.2 -0.084 70.1 109.2 131.2 -29.2 27.8 107.1 22.0 28 49 A W < + 0 0 123 -3,-1.0 33,-0.2 33,-0.2 32,-0.1 0.652 59.7 84.0 -55.3 -27.9 30.4 109.8 21.3 29 50 A G S S- 0 0 19 31,-2.0 2,-2.0 28,-0.2 31,-0.2 0.048 105.2 -72.1 -68.2-176.3 33.1 108.6 23.7 30 51 A D S S+ 0 0 163 29,-0.3 2,-0.3 2,-0.0 -1,-0.1 -0.547 93.4 114.6 -80.8 76.8 35.7 106.0 23.1 31 52 A Y S S- 0 0 68 -2,-2.0 6,-0.1 -4,-0.4 7,-0.0 -0.875 71.8 -77.1-137.7 170.7 33.3 103.1 23.2 32 53 A S > - 0 0 59 -2,-0.3 3,-1.2 4,-0.2 30,-0.1 -0.580 28.4-136.9 -84.0 136.8 31.9 100.4 20.9 33 54 A P T 3 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 151,-0.0 0.428 82.1 100.7 -68.4 -7.3 29.1 101.3 18.3 34 55 A Q T 3 S- 0 0 57 148,-0.2 148,-2.8 147,-0.1 155,-0.1 0.692 96.4-117.5 -49.1 -30.8 27.2 98.1 19.1 35 56 A G S < S+ 0 0 6 -3,-1.2 2,-0.3 1,-0.4 28,-0.1 0.166 73.6 117.3 112.3 -14.8 25.0 100.3 21.3 36 57 A I - 0 0 23 1,-0.1 -1,-0.4 -4,-0.1 26,-0.2 -0.625 65.6-112.5 -94.0 150.1 25.6 98.8 24.7 37 58 A A - 0 0 3 26,-0.5 28,-0.1 -2,-0.3 26,-0.1 -0.099 54.4 -71.3 -62.4 166.2 27.1 100.5 27.6 38 59 A L - 0 0 45 24,-0.2 2,-1.4 1,-0.1 28,-0.2 -0.215 47.3-107.5 -65.5 155.2 30.6 99.4 28.9 39 60 A V - 0 0 70 1,-0.2 28,-0.2 -3,-0.1 -1,-0.1 -0.693 46.0-180.0 -81.3 99.4 30.8 96.0 30.6 40 61 A Q - 0 0 31 26,-2.5 2,-0.2 -2,-1.4 -1,-0.2 0.894 49.4 -0.7 -78.5 -34.8 31.3 97.5 34.0 41 62 A S E -b 67 0B 15 25,-0.6 27,-3.1 -3,-0.1 2,-0.5 -0.853 64.1-108.5-147.4 175.8 31.7 94.4 36.2 42 63 A V E -b 68 0B 38 -2,-0.2 2,-1.0 25,-0.2 27,-0.2 -0.949 19.4-146.6-115.9 129.2 31.7 90.6 36.5 43 64 A L E +b 69 0B 1 25,-4.4 27,-2.1 -2,-0.5 5,-0.1 -0.738 22.8 172.9 -99.1 87.1 29.0 88.6 38.1 44 65 A F > - 0 0 6 -2,-1.0 3,-1.4 3,-0.3 79,-0.5 -0.719 46.9 -92.6 -85.1 140.1 30.5 85.5 39.8 45 66 A P T 3 S+ 0 0 10 0, 0.0 28,-0.3 0, 0.0 79,-0.2 -0.335 106.2 8.8 -69.7 132.9 27.9 83.6 41.9 46 67 A G T 3 S+ 0 0 3 77,-2.7 2,-0.8 1,-0.1 31,-0.6 0.052 99.4 112.2 90.0 -19.8 27.6 84.6 45.5 47 68 A I < - 0 0 9 -3,-1.4 -3,-0.3 29,-0.2 -1,-0.1 -0.763 63.3-135.8 -93.6 109.2 30.0 87.6 45.2 48 69 A I - 0 0 12 -2,-0.8 2,-0.4 74,-0.1 74,-0.2 -0.291 22.3-167.2 -62.4 138.3 28.2 91.0 45.7 49 70 A R E -F 121 0C 44 72,-1.8 72,-3.0 70,-0.1 2,-0.8 -0.994 24.0-130.8-139.4 139.1 28.9 93.8 43.3 50 71 A R E -F 120 0C 55 -2,-0.4 2,-0.5 70,-0.2 70,-0.2 -0.765 31.3-171.0 -90.2 102.9 28.2 97.5 43.2 51 72 A I E -F 119 0C 0 68,-2.5 68,-2.2 -2,-0.8 2,-0.4 -0.896 7.3-152.2-109.0 128.6 26.7 98.2 39.8 52 73 A I E > -F 118 0C 41 -2,-0.5 3,-0.9 66,-0.2 2,-0.3 -0.874 13.5-128.4-105.4 128.8 26.2 101.8 38.7 53 74 A L T 3 S+ 0 0 14 64,-2.9 64,-0.4 -2,-0.4 12,-0.2 -0.611 96.0 2.3 -78.6 137.2 23.5 103.0 36.1 54 75 A D T > S+ 0 0 46 10,-1.4 3,-1.6 -2,-0.3 4,-0.3 0.906 81.8 178.6 50.4 47.4 25.0 105.1 33.3 55 76 A K T < S+ 0 0 75 -3,-0.9 -2,-0.1 9,-0.7 3,-0.1 0.829 78.4 14.7 -43.8 -42.6 28.5 104.5 34.9 56 77 A E T 3 >S+ 0 0 46 6,-0.2 5,-2.0 8,-0.2 -1,-0.3 -0.181 82.6 126.3-129.5 36.7 30.1 106.5 32.1 57 78 A L T X 5S+ 0 0 48 -3,-1.6 3,-1.1 1,-0.2 -30,-0.2 0.940 84.4 40.3 -62.7 -48.3 27.4 108.4 30.3 58 79 A E T 3 5S+ 0 0 95 -4,-0.3 -1,-0.2 1,-0.3 -2,-0.1 0.729 105.6 64.9 -69.4 -28.0 29.1 111.8 30.6 59 80 A E T 3 5S- 0 0 122 1,-0.0 -29,-0.3 -30,-0.0 -1,-0.3 0.498 132.2 -92.1 -77.4 1.9 32.4 110.3 29.9 60 81 A G T < 5S+ 0 0 0 -3,-1.1 -31,-2.0 -4,-0.2 -33,-1.6 0.214 81.1 131.5 113.9 -19.8 30.9 109.6 26.4 61 82 A D < - 0 0 1 -5,-2.0 -34,-0.9 -33,-0.2 -33,-0.2 0.202 58.0 -86.7 -64.9 179.6 29.3 106.0 26.6 62 83 A W - 0 0 58 -36,-0.3 -6,-0.2 -26,-0.2 -24,-0.2 -0.457 57.3 -77.1 -82.6 163.1 25.9 104.6 25.6 63 84 A S S S- 0 0 77 -2,-0.2 -26,-0.5 -28,-0.1 2,-0.3 -0.257 80.4 -14.5 -63.3 138.4 22.9 104.6 27.8 64 85 A G S S- 0 0 9 -28,-0.1 -10,-1.4 -3,-0.1 -9,-0.7 -0.535 82.6 -12.9 105.7-146.3 22.5 102.1 30.7 65 86 A W + 0 0 4 138,-0.4 140,-0.6 -2,-0.3 2,-0.3 -0.897 35.7 169.7-123.3 135.6 23.8 99.0 32.3 66 87 A S E + c 0 205B 0 -2,-0.3 -26,-2.5 -28,-0.2 -25,-0.6 -0.867 5.3 171.4-158.2 122.3 26.1 96.1 31.4 67 88 A V E -bc 41 206B 0 138,-2.7 140,-2.7 -2,-0.3 2,-0.4 -0.904 29.0-123.8-124.9 153.9 27.6 93.2 33.5 68 89 A S E -bc 42 207B 8 -27,-3.1 -25,-4.4 -2,-0.3 2,-0.5 -0.835 18.7-143.3 -95.4 133.5 29.5 90.0 32.6 69 90 A V E -b 43 0B 4 138,-1.7 2,-0.3 -2,-0.4 -25,-0.2 -0.836 25.6-175.8 -93.0 124.2 28.1 86.7 33.9 70 91 A H - 0 0 14 -27,-2.1 142,-0.2 -2,-0.5 3,-0.1 -0.896 24.9-111.7-124.0 156.3 30.9 84.2 34.9 71 92 A S - 0 0 29 140,-2.1 -1,-0.1 -2,-0.3 142,-0.0 -0.180 66.6 -50.2 -68.0 167.5 31.1 80.6 36.1 72 93 A P S S+ 0 0 74 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.211 77.4 141.5 -46.8 121.6 32.1 79.7 39.7 73 94 A W + 0 0 64 -28,-0.3 -3,-0.1 1,-0.2 -29,-0.0 -0.931 38.5 9.5-157.4 149.0 35.2 81.4 40.8 74 95 A G S S- 0 0 29 -2,-0.3 2,-0.7 1,-0.1 -1,-0.2 0.211 90.7 -37.9 75.4 175.7 36.6 83.1 43.9 75 96 A N + 0 0 83 144,-2.1 2,-0.3 2,-0.0 -1,-0.1 -0.625 58.2 177.0 -82.7 110.3 35.7 83.4 47.6 76 97 A E - 0 0 60 -2,-0.7 4,-0.2 -29,-0.1 -29,-0.2 -0.856 25.1-150.7-112.6 153.7 32.0 83.9 48.1 77 98 A K S > S+ 0 0 81 -31,-0.6 4,-1.5 -2,-0.3 3,-0.3 0.510 77.6 82.0-103.3 -0.6 30.1 84.2 51.5 78 99 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.906 84.1 60.3 -71.3 -41.0 26.7 82.7 50.7 79 100 A S H > S+ 0 0 51 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.815 106.6 48.0 -57.8 -32.1 27.7 79.1 51.1 80 101 A A H > S+ 0 0 39 -3,-0.3 4,-1.6 2,-0.2 -1,-0.2 0.913 112.1 47.5 -74.7 -44.7 28.7 79.7 54.7 81 102 A A H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.802 110.1 55.0 -63.5 -28.9 25.4 81.6 55.5 82 103 A R H X S+ 0 0 29 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.916 103.0 55.0 -72.6 -40.0 23.5 78.7 53.8 83 104 A T H X S+ 0 0 68 -4,-1.4 4,-2.3 1,-0.2 -2,-0.2 0.905 110.5 44.9 -59.9 -43.6 25.2 76.2 56.1 84 105 A V H X S+ 0 0 49 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.888 113.8 51.0 -67.0 -36.5 23.9 78.2 59.2 85 106 A L H X S+ 0 0 0 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.974 112.7 44.6 -64.4 -52.7 20.5 78.5 57.6 86 107 A E H X S+ 0 0 88 -4,-3.3 4,-0.6 1,-0.2 3,-0.4 0.926 115.6 47.5 -55.1 -54.2 20.2 74.7 56.9 87 108 A N H >< S+ 0 0 84 -4,-2.3 3,-1.4 1,-0.2 4,-0.3 0.934 113.0 47.9 -52.1 -50.9 21.5 73.8 60.3 88 109 A G H >< S+ 0 0 20 -4,-2.7 3,-1.3 1,-0.3 -1,-0.2 0.794 102.9 64.0 -66.2 -23.9 19.2 76.2 62.1 89 110 A L H >< S+ 0 0 47 -4,-1.6 3,-0.8 -3,-0.4 -1,-0.3 0.627 89.1 66.6 -74.9 -16.2 16.2 75.0 60.1 90 111 A R T << S+ 0 0 203 -3,-1.4 -1,-0.3 -4,-0.6 -2,-0.2 0.595 100.6 51.9 -74.4 -15.1 16.5 71.5 61.6 91 112 A G T < S- 0 0 73 -3,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.095 123.8 -94.8-107.2 18.6 15.5 73.2 65.0 92 113 A G < - 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0 0 6 -94,-0.1 2,-0.4 1,-0.1 -5,-0.1 -0.572 56.4 -26.4 -75.2 95.3 -8.4 79.8 77.3 394 415 A F S S- 0 0 11 -2,-0.7 -7,-0.1 -98,-0.3 -1,-0.1 -0.724 83.0-102.7 116.0 -74.5 -9.4 83.7 77.0 395 416 A K S S+ 0 0 130 -2,-0.4 3,-0.3 -9,-0.1 -9,-0.0 0.395 72.5 14.8 115.8 127.7 -6.7 86.2 78.7 396 417 A A S > S- 0 0 59 1,-0.1 2,-2.5 2,-0.1 3,-0.6 0.884 77.3 -99.9 59.7 118.8 -6.7 88.3 82.1 397 418 A A T 3 S+ 0 0 54 1,-0.3 -1,-0.1 2,-0.2 -12,-0.1 -0.323 93.6 104.2 -78.3 69.8 -9.0 87.7 85.1 398 419 A D T 3> S+ 0 0 97 -2,-2.5 4,-0.6 -3,-0.3 -1,-0.3 0.092 72.1 73.3-109.4 -12.6 -11.3 90.6 84.3 399 420 A Y H <> S+ 0 0 23 -3,-0.6 4,-3.0 2,-0.2 5,-0.2 0.609 77.3 69.8 -83.1 -26.1 -13.4 87.6 83.3 400 421 A A H > S+ 0 0 5 1,-0.2 4,-1.9 2,-0.2 -1,-0.1 0.895 101.2 49.6 -60.9 -35.3 -14.1 86.6 86.8 401 422 A I H > S+ 0 0 102 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.862 112.7 45.3 -64.5 -46.0 -16.3 89.7 86.9 402 423 A K H X S+ 0 0 44 -4,-0.6 4,-2.3 2,-0.2 -2,-0.2 0.919 112.0 51.6 -69.3 -41.8 -18.0 88.8 83.7 403 424 A A H X S+ 0 0 0 -4,-3.0 4,-1.6 1,-0.2 -2,-0.2 0.842 108.7 52.0 -63.0 -35.8 -18.5 85.2 84.9 404 425 A N H X S+ 0 0 46 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.836 107.6 52.5 -70.1 -31.7 -20.0 86.5 88.1 405 426 A N H X S+ 0 0 32 -4,-1.4 4,-2.7 2,-0.2 5,-0.2 0.961 106.1 51.8 -70.7 -41.2 -22.4 88.7 86.2 406 427 A I H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.897 112.2 50.5 -56.4 -37.7 -23.6 85.7 84.1 407 428 A R H >X S+ 0 0 36 -4,-1.6 4,-2.4 2,-0.2 3,-1.1 0.983 112.9 40.6 -63.8 -63.3 -24.2 83.9 87.4 408 429 A E H 3X S+ 0 0 91 -4,-2.6 4,-2.0 1,-0.3 -1,-0.2 0.830 119.6 48.9 -55.3 -34.1 -26.2 86.7 89.2 409 430 A K H 3< S+ 0 0 50 -4,-2.7 13,-0.3 -5,-0.2 -1,-0.3 0.635 107.9 51.0 -84.6 -17.9 -28.1 87.3 85.9 410 431 A S H X S+ 0 0 20 -4,-2.4 4,-3.1 -5,-0.2 3,-0.7 0.966 104.3 55.9 -59.8 -55.0 -30.2 83.5 88.8 412 433 A E H 3< S+ 0 0 75 -4,-2.0 2,-0.3 1,-0.2 10,-0.1 -0.514 106.3 43.7 -66.0 142.5 -32.6 86.4 87.9 413 434 A G H 34 S+ 0 0 4 -2,-0.2 4,-0.4 1,-0.1 -1,-0.2 -0.359 115.5 50.0 104.6 -58.3 -34.4 84.9 84.9 414 435 A Y H << S+ 0 0 8 -4,-1.4 -2,-0.2 -3,-0.7 -3,-0.2 0.929 122.5 35.6 -75.5 -40.5 -34.7 81.6 86.8 415 436 A Q S < S+ 0 0 114 -4,-3.1 -3,-0.2 -5,-0.2 -1,-0.1 0.877 140.7 13.3 -72.8 -44.1 -36.1 83.8 89.7 416 437 A T S S- 0 0 90 -5,-0.2 -2,-0.1 2,-0.1 -1,-0.1 0.580 91.7-120.4-112.9 -14.3 -38.0 86.4 87.6 417 438 A G S S+ 0 0 54 -4,-0.4 2,-0.7 1,-0.2 -3,-0.1 0.746 73.1 128.9 78.3 18.5 -38.2 85.0 84.0 418 439 A N + 0 0 81 1,-0.1 4,-0.3 -9,-0.1 -1,-0.2 -0.874 27.5 169.2-111.8 97.0 -36.3 88.1 82.8 419 440 A W > + 0 0 15 -2,-0.7 4,-2.7 1,-0.2 5,-0.3 0.387 54.6 99.3 -87.8 6.2 -33.4 87.0 80.7 420 441 A G H > S+ 0 0 17 1,-0.2 4,-2.6 2,-0.2 5,-0.3 0.959 80.1 49.2 -57.9 -56.8 -32.9 90.6 79.6 421 442 A P H > S+ 0 0 25 0, 0.0 4,-1.2 0, 0.0 -1,-0.2 0.818 114.1 48.8 -50.5 -32.8 -30.0 91.3 82.1 422 443 A L H > S+ 0 0 3 -13,-0.3 4,-1.1 -4,-0.3 -2,-0.2 0.946 115.3 39.9 -74.0 -50.7 -28.3 88.1 80.9 423 444 A M H X S+ 0 0 5 -4,-2.7 4,-1.6 1,-0.2 -3,-0.2 0.845 115.4 53.7 -71.8 -27.4 -28.6 88.7 77.2 424 445 A L H X S+ 0 0 108 -4,-2.6 4,-2.4 -5,-0.3 -1,-0.2 0.831 102.7 55.5 -74.7 -34.8 -27.7 92.4 77.6 425 446 A E H X S+ 0 0 30 -4,-1.2 4,-1.5 -5,-0.3 -1,-0.2 0.856 106.1 53.3 -65.5 -33.8 -24.5 91.7 79.5 426 447 A V H X S+ 0 0 1 -4,-1.1 4,-1.2 2,-0.2 -2,-0.2 0.926 109.7 46.7 -71.0 -43.3 -23.3 89.5 76.7 427 448 A E H >X S+ 0 0 11 -4,-1.6 4,-2.6 1,-0.2 3,-0.6 0.922 105.7 61.1 -62.0 -42.0 -23.9 92.3 74.2 428 449 A S H 3X S+ 0 0 48 -4,-2.4 4,-3.0 1,-0.3 -1,-0.2 0.872 100.7 55.2 -48.3 -43.3 -22.1 94.7 76.6 429 450 A W H 3<>S+ 0 0 9 -4,-1.5 5,-2.6 -3,-0.2 -1,-0.3 0.865 111.4 42.5 -61.2 -41.6 -19.0 92.6 76.2 430 451 A V H X<5S+ 0 0 32 -4,-1.2 3,-2.6 -3,-0.6 -2,-0.2 0.981 114.9 49.7 -68.2 -57.6 -19.0 93.0 72.5 431 452 A I H 3<5S+ 0 0 117 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.890 106.7 53.9 -48.9 -50.9 -19.9 96.7 72.5 432 453 A S T 3<5S- 0 0 113 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.377 138.1 -79.5 -73.2 11.8 -17.2 97.7 75.0 433 454 A G T < 5S+ 0 0 68 -3,-2.6 2,-0.3 1,-0.3 -3,-0.2 0.538 80.7 139.4 116.1 5.1 -14.8 95.9 72.6 434 455 A M < - 0 0 27 -5,-2.6 -1,-0.3 -6,-0.2 2,-0.1 -0.631 58.4-108.6 -85.4 138.0 -14.7 92.0 72.9 435 456 A A > - 0 0 41 -2,-0.3 4,-2.5 1,-0.1 3,-0.3 -0.457 27.6-125.1 -58.0 128.6 -14.5 89.9 69.7 436 457 A S H > S+ 0 0 12 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.879 111.0 53.2 -46.9 -45.0 -18.0 88.2 69.1 437 458 A A H > S+ 0 0 0 -97,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.933 110.4 45.5 -57.6 -48.7 -16.4 84.8 69.0 438 459 A V H > S+ 0 0 19 -3,-0.3 4,-1.9 1,-0.2 5,-0.2 0.903 113.6 50.9 -62.5 -39.5 -14.6 85.3 72.4 439 460 A A H X S+ 0 0 0 -4,-2.5 4,-1.2 1,-0.2 -1,-0.2 0.826 109.2 51.1 -69.1 -27.7 -17.9 86.7 73.9 440 461 A L H X S+ 0 0 0 -4,-2.2 4,-2.6 -5,-0.3 -2,-0.2 0.900 109.8 50.7 -71.5 -41.2 -19.7 83.6 72.6 441 462 A S H X S+ 0 0 0 -4,-2.1 4,-4.2 2,-0.2 5,-0.3 0.984 109.0 47.3 -62.3 -62.7 -17.2 81.3 74.2 442 463 A L H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.844 117.0 45.6 -44.3 -42.8 -17.2 82.8 77.7 443 464 A F H X S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.2 -1,-0.2 0.921 118.4 40.8 -69.3 -46.7 -21.0 82.8 77.7 444 465 A S H X S+ 0 0 0 -4,-2.6 4,-2.9 2,-0.2 5,-0.3 0.919 117.9 47.8 -69.0 -44.6 -21.3 79.3 76.3 445 466 A L H X S+ 0 0 1 -4,-4.2 4,-2.3 -5,-0.2 5,-0.3 0.948 111.6 49.5 -59.4 -52.8 -18.4 78.0 78.5 446 467 A T H < S+ 0 0 0 -4,-2.7 4,-0.3 -5,-0.3 -2,-0.2 0.902 118.6 40.4 -55.5 -43.0 -19.8 79.6 81.7 447 468 A L H X S+ 0 0 4 -4,-2.0 4,-1.7 -5,-0.2 3,-0.3 0.936 121.7 39.2 -71.3 -46.5 -23.3 78.1 81.0 448 469 A G H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 5,-0.2 0.964 116.2 47.4 -70.3 -55.6 -22.2 74.7 79.8 449 470 A S H < S+ 0 0 27 -4,-2.3 -1,-0.2 -5,-0.3 -3,-0.1 0.522 111.2 53.7 -70.4 -2.1 -19.3 74.0 82.2 450 471 A A H >4 S+ 0 0 2 -5,-0.3 3,-1.0 -4,-0.3 4,-0.4 0.854 109.9 47.7 -91.3 -41.8 -21.5 75.0 85.0 451 472 A L H >< S+ 0 0 0 -4,-1.7 3,-0.9 1,-0.3 -2,-0.2 0.868 107.7 53.2 -65.6 -40.4 -24.3 72.5 83.9 452 473 A I T 3< S+ 0 0 71 -4,-2.4 -1,-0.3 1,-0.2 -3,-0.1 0.419 117.9 41.6 -76.1 7.7 -22.0 69.5 83.5 453 474 A A T < S+ 0 0 75 -3,-1.0 -1,-0.2 -5,-0.2 -2,-0.2 0.359 87.6 110.3-129.0 -5.8 -20.8 70.3 87.1 454 475 A F < - 0 0 26 -3,-0.9 2,-1.5 -4,-0.4 -83,-0.0 -0.529 69.2-128.6 -78.9 143.5 -24.0 71.1 88.9 455 476 A G + 0 0 83 -2,-0.2 2,-0.3 -85,-0.1 -1,-0.1 -0.723 61.2 137.6 -83.1 86.2 -25.4 68.7 91.5 456 477 A L - 0 0 31 -2,-1.5 -89,-0.0 -5,-0.2 -2,-0.0 -0.984 53.5-109.4-136.8 151.9 -28.9 68.5 89.9 457 478 A S > - 0 0 64 -2,-0.3 4,-2.9 1,-0.1 5,-0.2 -0.089 39.6-101.4 -68.0 169.3 -31.6 65.9 89.2 458 479 A A H > S+ 0 0 50 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.805 119.8 55.3 -64.0 -28.5 -32.5 64.7 85.7 459 480 A T H > S+ 0 0 82 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.968 114.2 41.4 -66.5 -48.0 -35.6 66.8 85.4 460 481 A V H > S+ 0 0 2 2,-0.2 4,-2.5 1,-0.2 5,-0.4 0.928 109.8 55.7 -64.5 -55.6 -33.7 69.9 86.2 461 482 A V H X S+ 0 0 9 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.841 109.3 51.2 -51.2 -33.3 -30.6 69.0 84.0 462 483 A G H X S+ 0 0 4 -4,-1.7 4,-1.9 -5,-0.2 -1,-0.2 0.940 109.4 48.0 -67.1 -46.9 -33.1 68.7 81.1 463 484 A F H X S+ 0 0 15 -4,-1.7 4,-2.8 -3,-0.3 3,-0.3 0.945 116.6 42.6 -60.2 -48.4 -34.7 72.2 81.8 464 485 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 1,-0.2 5,-0.3 0.846 109.1 59.4 -69.6 -28.9 -31.3 73.8 82.0 465 486 A G H X S+ 0 0 0 -4,-1.8 4,-0.8 -5,-0.4 -1,-0.2 0.850 111.6 41.2 -67.1 -32.2 -30.1 71.8 79.0 466 487 A V H X S+ 0 0 6 -4,-1.9 4,-3.1 -3,-0.3 5,-0.3 0.951 115.4 50.1 -74.6 -54.4 -33.0 73.5 77.0 467 488 A V H X S+ 0 0 9 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.931 115.3 41.1 -50.4 -57.1 -32.5 77.0 78.6 468 489 A I H X S+ 0 0 3 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.810 116.0 50.6 -69.0 -24.8 -28.8 77.2 77.9 469 490 A A H X S+ 0 0 5 -4,-0.8 4,-2.0 -5,-0.3 -2,-0.2 0.922 113.2 44.9 -74.9 -42.3 -29.1 75.6 74.4 470 491 A G H X S+ 0 0 0 -4,-3.1 4,-2.1 2,-0.2 -2,-0.2 0.826 116.0 50.7 -66.0 -30.7 -31.8 78.1 73.5 471 492 A A H X S+ 0 0 9 -4,-2.2 4,-0.7 -5,-0.3 -2,-0.2 0.968 114.8 37.8 -77.1 -53.6 -29.6 80.8 75.0 472 493 A I H >< S+ 0 0 2 -4,-2.8 3,-0.7 1,-0.2 4,-0.3 0.891 117.0 58.5 -59.6 -32.1 -26.4 80.0 73.2 473 494 A G H >X S+ 0 0 0 -4,-2.0 4,-3.4 -5,-0.3 3,-2.5 0.951 96.5 58.7 -57.4 -54.2 -28.6 79.3 70.2 474 495 A A H 3< S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.622 101.7 54.0 -52.8 -26.4 -30.2 82.7 70.1 475 496 A F T << S+ 0 0 1 -4,-0.7 -132,-2.1 -3,-0.7 -1,-0.3 0.469 121.3 31.2 -86.2 -5.3 -26.8 84.5 69.6 476 497 A I T <4 S- 0 0 18 -3,-2.5 2,-0.3 1,-0.4 -2,-0.2 0.729 127.3 -15.8-117.5 -52.2 -26.1 82.3 66.6 477 498 A D < - 0 0 55 -4,-3.4 4,-0.5 -5,-0.1 -1,-0.4 -0.998 36.8-136.5-159.4 151.2 -29.2 81.4 64.9 478 499 A D S > S+ 0 0 37 -2,-0.3 4,-1.6 2,-0.2 3,-0.4 0.698 101.0 75.4 -82.1 -19.8 -33.0 81.2 65.3 479 500 A K H >> S+ 0 0 131 1,-0.2 4,-2.3 2,-0.2 3,-1.5 0.975 92.3 54.7 -47.7 -56.1 -32.9 77.7 63.7 480 501 A F H 3> S+ 0 0 3 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.749 108.2 46.2 -52.0 -36.2 -31.6 76.4 67.0 481 502 A V H 3> S+ 0 0 0 -4,-0.5 4,-1.3 -3,-0.4 -1,-0.3 0.690 110.7 52.9 -87.9 -15.9 -34.5 77.8 69.0 482 503 A D H S+ 0 0 57 -4,-2.3 4,-1.5 1,-0.2 5,-0.8 0.852 108.7 51.1 -58.4 -38.6 -35.5 72.9 66.8 484 505 A L H X>S+ 0 0 0 -4,-1.1 5,-2.3 -5,-0.2 4,-1.5 0.980 116.1 36.2 -62.1 -63.5 -36.0 73.0 70.6 485 506 A N H <5S+ 0 0 27 -4,-1.3 -2,-0.2 3,-0.2 -3,-0.1 0.944 124.6 38.1 -57.3 -52.3 -39.6 74.1 70.7 486 507 A H H <5S+ 0 0 162 -4,-2.3 -3,-0.2 -5,-0.2 -1,-0.2 0.821 132.9 17.6 -80.4 -31.5 -41.0 72.2 67.7 487 508 A K H <5S+ 0 0 112 -4,-1.5 -3,-0.2 -5,-0.4 -2,-0.2 0.706 129.1 35.1-111.8 -19.8 -39.0 68.9 67.9 488 509 A I T << 0 0 26 -4,-1.5 -3,-0.2 -5,-0.8 -4,-0.1 0.881 360.0 360.0-106.5 -46.0 -37.6 68.6 71.5 489 510 A I < 0 0 62 -5,-2.3 -4,-0.2 -4,-0.1 -3,-0.1 0.947 360.0 360.0 -79.8 360.0 -39.9 70.1 74.2