==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 15-SEP-05 2B1K . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR N.OUYANG,Y.G.GAO,H.Y.HU,Z.X.XIA . 149 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 74.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 14.8 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 16 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 26.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.7 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 0 0 2 0 0 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 2 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 1 1 0 2 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 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 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 36 A L 0 0 125 0, 0.0 122,-0.2 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-162.0 24.7 2.4 67.0 2 37 A E - 0 0 133 122,-0.1 2,-0.3 120,-0.1 120,-0.0 -0.434 360.0-161.7 -79.6 153.0 25.1 6.1 66.4 3 38 A S > - 0 0 10 -2,-0.1 3,-0.6 1,-0.1 101,-0.1 -0.990 26.0-150.0-137.5 144.2 26.1 7.5 63.0 4 39 A A T 3 S+ 0 0 88 -2,-0.3 100,-0.1 1,-0.2 -1,-0.1 0.390 95.1 71.0 -88.8 2.1 27.4 10.9 61.8 5 40 A L T > + 0 0 29 98,-0.2 3,-2.8 2,-0.1 115,-0.4 0.521 62.1 121.4 -96.5 -7.1 25.7 10.2 58.5 6 41 A I T < S+ 0 0 69 -3,-0.6 115,-0.2 1,-0.3 113,-0.0 -0.399 85.4 16.4 -59.6 124.2 22.1 10.7 59.7 7 42 A G T 3 S+ 0 0 44 113,-3.2 -1,-0.3 1,-0.3 114,-0.1 0.375 109.2 104.5 93.5 -4.1 20.7 13.6 57.6 8 43 A K S < S- 0 0 113 -3,-2.8 112,-2.9 112,-0.4 -1,-0.3 -0.763 74.6-103.7-110.3 156.3 23.5 13.3 55.0 9 44 A P B -A 119 0A 85 0, 0.0 110,-0.2 0, 0.0 109,-0.1 -0.323 48.5 -84.9 -74.0 160.2 23.4 11.8 51.5 10 45 A V - 0 0 12 108,-1.8 3,-0.1 17,-0.1 17,-0.1 -0.379 54.0-102.2 -63.7 138.7 24.9 8.4 50.7 11 46 A P - 0 0 27 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.265 40.8 -98.2 -61.6 149.1 28.7 8.6 49.9 12 47 A K + 0 0 177 -3,-0.1 2,-0.3 14,-0.1 90,-0.1 -0.395 57.4 154.0 -67.7 144.6 29.8 8.4 46.3 13 48 A F - 0 0 19 -3,-0.1 14,-0.6 -2,-0.1 2,-0.3 -0.981 39.4-146.8-163.7 167.9 31.0 5.0 45.1 14 49 A R E +B 26 0B 157 -2,-0.3 2,-0.3 12,-0.2 12,-0.2 -0.857 31.7 169.1-146.3 102.0 31.4 2.7 42.2 15 50 A L E -B 25 0B 22 10,-2.1 10,-3.1 -2,-0.3 2,-0.2 -0.912 32.8-116.1-121.6 149.0 30.9 -0.9 43.0 16 51 A E E -BC 24 93B 44 77,-0.6 77,-2.6 -2,-0.3 8,-0.2 -0.510 36.7-105.0 -80.2 146.4 30.5 -4.0 40.9 17 52 A S E - C 0 92B 0 6,-3.0 75,-0.2 3,-0.5 6,-0.2 -0.524 24.9-137.2 -68.6 136.3 27.3 -6.0 40.9 18 53 A L S S+ 0 0 0 73,-2.4 -1,-0.1 1,-0.2 74,-0.1 0.925 100.2 24.6 -62.7 -46.8 27.7 -9.2 43.0 19 54 A D S S+ 0 0 63 72,-0.3 -1,-0.2 1,-0.2 73,-0.1 0.323 117.7 62.5-103.9 8.4 25.9 -11.4 40.5 20 55 A N S > S- 0 0 65 71,-0.2 3,-2.2 3,-0.2 -3,-0.5 -0.622 79.4-151.8-132.3 73.0 26.3 -9.4 37.3 21 56 A P T 3 S+ 0 0 96 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.087 79.1 22.0 -45.3 134.6 30.1 -9.3 36.7 22 57 A G T 3 S+ 0 0 53 1,-0.2 2,-0.6 -5,-0.2 -6,-0.0 0.235 94.1 111.0 91.0 -17.1 31.1 -6.2 34.7 23 58 A Q < - 0 0 93 -3,-2.2 -6,-3.0 -6,-0.2 2,-0.3 -0.850 50.3-165.8 -95.4 122.4 28.1 -4.1 35.7 24 59 A F E -B 16 0B 93 -2,-0.6 2,-0.3 -8,-0.2 -8,-0.2 -0.855 2.1-157.1-110.8 145.7 29.0 -1.3 38.0 25 60 A Y E -B 15 0B 61 -10,-3.1 -10,-2.1 -2,-0.3 2,-0.2 -0.854 1.8-158.3-120.7 155.1 26.7 0.9 40.1 26 61 A Q E > -B 14 0B 105 -2,-0.3 3,-2.1 -12,-0.2 4,-0.2 -0.709 42.7 -86.7-123.0 175.9 26.9 4.3 41.6 27 62 A A G > S+ 0 0 15 -14,-0.6 3,-2.8 1,-0.3 4,-0.2 0.745 115.2 76.6 -56.2 -26.6 25.2 6.1 44.5 28 63 A D G > S+ 0 0 113 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.779 83.0 67.9 -57.1 -25.2 22.4 7.3 42.1 29 64 A V G < S+ 0 0 31 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.656 94.2 57.4 -70.2 -12.9 21.1 3.7 42.4 30 65 A L G < S+ 0 0 2 -3,-2.8 2,-0.7 -4,-0.2 88,-0.3 0.323 88.0 79.3 -98.2 6.8 20.2 4.5 46.0 31 66 A T < + 0 0 74 -3,-1.6 -1,-0.2 -4,-0.2 85,-0.1 -0.750 52.9 150.2-112.4 78.3 18.0 7.4 45.1 32 67 A Q - 0 0 63 -2,-0.7 -1,-0.1 2,-0.5 84,-0.1 0.526 63.1-115.7 -90.0 -7.7 14.9 5.5 44.1 33 68 A G S S+ 0 0 40 83,-1.8 83,-0.3 1,-0.3 84,-0.1 0.388 98.6 74.7 85.8 -7.3 12.3 8.0 45.0 34 69 A K S S- 0 0 147 82,-0.2 -2,-0.5 81,-0.2 -1,-0.3 -0.956 97.1 -93.6-133.0 151.0 11.1 5.4 47.5 35 70 A P - 0 0 4 0, 0.0 29,-0.4 0, 0.0 2,-0.3 -0.299 43.8-168.4 -66.0 154.9 12.8 4.5 50.8 36 71 A V E -D 114 0B 0 78,-2.7 78,-2.7 -6,-0.1 2,-0.5 -0.986 20.0-132.8-143.5 150.3 15.3 1.6 50.8 37 72 A L E -De 113 65B 1 27,-2.5 29,-3.4 -2,-0.3 2,-0.7 -0.896 15.9-154.0-103.4 132.2 17.1 -0.6 53.3 38 73 A L E -De 112 66B 1 74,-2.8 74,-2.6 -2,-0.5 2,-0.6 -0.942 13.3-162.6-107.6 113.8 20.8 -1.1 52.7 39 74 A N E -De 111 67B 0 27,-2.9 29,-3.2 -2,-0.7 2,-0.6 -0.878 6.9-156.5-104.8 120.8 21.9 -4.3 54.4 40 75 A V E +De 110 68B 0 70,-3.3 70,-1.4 -2,-0.6 2,-0.3 -0.839 32.7 151.2 -94.4 120.6 25.6 -5.0 55.0 41 76 A W E - e 0 69B 3 27,-1.9 29,-3.0 -2,-0.6 2,-0.3 -0.936 25.3-172.2-146.6 168.1 26.2 -8.7 55.2 42 77 A A > - 0 0 0 -2,-0.3 3,-1.1 27,-0.2 6,-0.2 -0.974 35.7-118.8-157.7 156.7 28.8 -11.4 54.7 43 78 A T T 3 S+ 0 0 34 -2,-0.3 6,-0.1 1,-0.2 29,-0.1 0.715 112.8 61.1 -73.7 -19.3 29.0 -15.2 54.7 44 79 A W T 3 S+ 0 0 128 4,-0.0 -1,-0.2 1,-0.0 64,-0.0 0.416 84.0 96.4 -86.2 3.2 31.5 -15.2 57.6 45 80 A a X> - 0 0 3 -3,-1.1 3,-1.3 1,-0.1 4,-0.8 -0.840 62.3-158.2-100.0 108.8 29.0 -13.4 59.8 46 81 A P H 3> S+ 0 0 110 0, 0.0 4,-0.9 0, 0.0 3,-0.5 0.841 91.3 46.5 -51.6 -46.7 27.0 -15.8 62.1 47 82 A T H 3> S+ 0 0 58 1,-0.2 4,-1.8 61,-0.2 5,-0.1 0.576 99.6 74.0 -77.7 -6.6 24.0 -13.7 62.8 48 83 A a H <> S+ 0 0 3 -3,-1.3 4,-1.7 2,-0.2 -1,-0.2 0.896 93.0 50.1 -71.8 -40.7 23.7 -12.9 59.1 49 84 A R H X S+ 0 0 116 -4,-0.8 4,-0.8 -3,-0.5 3,-0.2 0.934 113.3 47.1 -62.4 -44.5 22.4 -16.4 58.1 50 85 A A H X S+ 0 0 77 -4,-0.9 4,-0.5 1,-0.2 3,-0.4 0.877 112.5 49.3 -63.8 -39.6 19.8 -16.1 60.8 51 86 A E H X S+ 0 0 5 -4,-1.8 4,-1.9 1,-0.2 3,-0.4 0.751 96.2 75.0 -71.4 -25.0 18.8 -12.6 59.7 52 87 A H H X S+ 0 0 3 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.878 90.1 53.8 -56.8 -44.2 18.5 -13.7 56.1 53 88 A Q H X S+ 0 0 94 -4,-0.8 4,-1.5 -3,-0.4 -1,-0.2 0.855 108.5 50.0 -61.9 -35.1 15.2 -15.5 56.5 54 89 A Y H X S+ 0 0 25 -4,-0.5 4,-2.2 -3,-0.4 -1,-0.2 0.887 107.5 53.7 -71.7 -37.8 13.6 -12.4 58.0 55 90 A L H X S+ 0 0 1 -4,-1.9 4,-2.7 1,-0.2 5,-0.2 0.886 105.2 54.9 -62.2 -37.4 14.9 -10.3 55.1 56 91 A N H X S+ 0 0 43 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.925 108.2 50.2 -59.9 -42.5 13.2 -12.7 52.7 57 92 A Q H X S+ 0 0 105 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.901 112.4 44.6 -62.2 -45.5 10.0 -12.1 54.6 58 93 A L H ><>S+ 0 0 0 -4,-2.2 5,-2.1 1,-0.2 3,-0.7 0.894 111.0 54.2 -67.5 -40.4 10.2 -8.3 54.4 59 94 A S H ><5S+ 0 0 40 -4,-2.7 3,-1.7 1,-0.3 -2,-0.2 0.902 104.7 54.6 -60.3 -40.4 11.2 -8.4 50.8 60 95 A A H 3<5S+ 0 0 90 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.737 103.6 57.7 -64.8 -22.9 8.1 -10.5 50.0 61 96 A Q T <<5S- 0 0 121 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.343 127.6 -96.1 -89.0 3.8 6.0 -7.8 51.7 62 97 A G T < 5S+ 0 0 62 -3,-1.7 2,-0.4 1,-0.3 -3,-0.2 0.478 74.3 146.1 97.2 0.9 7.3 -5.1 49.3 63 98 A I < - 0 0 15 -5,-2.1 2,-0.5 -8,-0.1 -1,-0.3 -0.619 48.7-130.1 -74.2 126.0 10.1 -3.7 51.4 64 99 A R - 0 0 125 -2,-0.4 -27,-2.5 -29,-0.4 2,-0.4 -0.682 30.5-176.2 -81.4 121.1 12.9 -2.6 49.1 65 100 A V E -e 37 0B 1 -2,-0.5 24,-2.9 22,-0.4 25,-0.7 -0.973 14.4-163.8-125.0 128.8 16.3 -4.0 50.2 66 101 A V E -ef 38 90B 0 -29,-3.4 -27,-2.9 -2,-0.4 2,-0.4 -0.922 17.8-142.8-108.1 130.4 19.7 -3.4 48.7 67 102 A G E -ef 39 91B 0 23,-2.9 25,-3.5 -2,-0.5 2,-0.6 -0.788 12.5-167.6 -99.1 135.0 22.5 -5.8 49.7 68 103 A M E -ef 40 92B 0 -29,-3.2 -27,-1.9 -2,-0.4 2,-0.6 -0.913 14.7-150.1-118.6 101.3 26.1 -4.8 50.2 69 104 A N E -ef 41 93B 0 23,-2.7 25,-2.4 -2,-0.6 2,-0.5 -0.623 21.0-145.9 -73.9 118.2 28.3 -7.9 50.5 70 105 A Y E - f 0 94B 17 -29,-3.0 25,-0.2 -2,-0.6 3,-0.1 -0.788 55.5 -37.2 -99.9 121.5 31.1 -6.9 52.8 71 106 A K S S+ 0 0 107 23,-2.4 -1,-0.2 -2,-0.5 2,-0.2 0.879 101.8 140.5 34.5 59.2 34.8 -8.0 52.5 72 107 A D - 0 0 20 -3,-0.3 2,-0.8 -31,-0.1 -1,-0.1 -0.667 64.8 -91.3-124.5 176.4 33.5 -11.4 51.5 73 108 A D > - 0 0 74 -2,-0.2 4,-2.6 1,-0.2 5,-0.2 -0.826 34.8-148.8 -92.0 110.6 34.2 -14.3 49.2 74 109 A R H > S+ 0 0 53 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.873 93.0 47.3 -45.8 -53.5 32.2 -13.6 46.1 75 110 A Q H > S+ 0 0 123 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.903 112.6 48.8 -60.2 -43.8 31.5 -17.2 45.1 76 111 A K H > S+ 0 0 129 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.893 111.0 53.0 -62.9 -37.6 30.4 -18.2 48.6 77 112 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.933 109.5 46.9 -62.7 -47.8 28.2 -15.1 48.6 78 113 A I H X S+ 0 0 32 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.902 112.6 49.2 -62.3 -41.5 26.5 -16.1 45.4 79 114 A S H X S+ 0 0 58 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.847 105.8 59.6 -66.2 -31.9 26.0 -19.7 46.6 80 115 A W H X S+ 0 0 23 -4,-1.9 4,-2.4 1,-0.2 5,-0.2 0.907 108.8 43.0 -60.4 -44.8 24.5 -18.2 49.8 81 116 A L H X S+ 0 0 11 -4,-1.7 4,-1.5 2,-0.2 -2,-0.2 0.836 112.6 51.6 -71.9 -36.4 21.8 -16.5 47.8 82 117 A K H < S+ 0 0 183 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.806 117.6 40.5 -71.9 -26.5 21.1 -19.4 45.5 83 118 A E H < S+ 0 0 131 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.866 127.5 27.0 -88.7 -40.3 20.7 -21.6 48.6 84 119 A L H < S- 0 0 28 -4,-2.4 -3,-0.2 1,-0.2 -2,-0.2 0.505 115.7 -96.6-103.3 -6.8 18.8 -19.4 51.0 85 120 A G < - 0 0 29 -4,-1.5 -1,-0.2 -5,-0.2 -2,-0.1 -0.118 28.8 -99.6 106.4 154.1 16.9 -17.2 48.6 86 121 A N + 0 0 78 1,-0.1 -1,-0.1 -4,-0.1 -5,-0.0 -0.880 36.3 167.6-117.2 101.1 17.6 -13.7 47.3 87 122 A P + 0 0 5 0, 0.0 -22,-0.4 0, 0.0 2,-0.2 0.582 49.0 105.7 -84.3 -9.5 15.7 -10.9 49.0 88 123 A Y - 0 0 15 1,-0.1 -22,-0.2 -24,-0.1 3,-0.2 -0.506 56.8-159.3 -82.1 138.2 17.7 -8.1 47.4 89 124 A A S S+ 0 0 59 -24,-2.9 2,-0.3 1,-0.3 -23,-0.2 0.756 91.3 5.4 -78.1 -25.8 16.6 -5.8 44.6 90 125 A L E - f 0 66B 20 -25,-0.7 -23,-2.9 2,-0.0 2,-0.5 -0.969 69.3-148.5-157.4 141.5 20.3 -5.3 43.9 91 126 A S E - f 0 67B 2 -2,-0.3 -73,-2.4 -25,-0.2 2,-0.4 -0.972 11.4-162.2-121.5 122.7 23.5 -6.7 45.3 92 127 A L E -Cf 17 68B 0 -25,-3.5 -23,-2.7 -2,-0.5 2,-0.8 -0.809 14.2-137.6-103.9 143.6 26.7 -4.7 45.5 93 128 A F E +Cf 16 69B 41 -77,-2.6 2,-1.1 -2,-0.4 -77,-0.6 -0.836 20.9 177.3-104.2 99.0 30.2 -6.2 46.0 94 129 A D E > + f 0 70B 2 -25,-2.4 -23,-2.4 -2,-0.8 3,-0.8 -0.509 16.7 160.4 -96.9 62.8 32.2 -4.3 48.5 95 130 A G T 3 S+ 0 0 22 -2,-1.1 -1,-0.2 1,-0.3 -25,-0.0 0.839 75.4 36.7 -52.8 -42.3 35.2 -6.7 48.3 96 131 A D T 3 S- 0 0 133 -3,-0.2 -1,-0.3 -25,-0.1 -2,-0.1 0.496 107.3-124.3 -90.5 -6.9 37.7 -4.2 49.7 97 132 A G <> + 0 0 2 -3,-0.8 4,-1.5 -28,-0.2 -2,-0.1 0.733 66.9 136.6 71.0 22.3 35.2 -2.8 52.2 98 133 A M H > S+ 0 0 107 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.806 72.1 46.7 -72.2 -31.1 35.8 0.8 50.9 99 134 A L H > S+ 0 0 5 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.908 110.5 54.2 -75.7 -38.8 32.1 1.7 50.9 100 135 A G H >>S+ 0 0 0 1,-0.2 5,-2.1 2,-0.2 4,-0.9 0.872 106.8 52.7 -59.1 -35.2 31.8 0.2 54.3 101 136 A L H <5S+ 0 0 113 -4,-1.5 3,-0.4 1,-0.2 -1,-0.2 0.914 110.1 46.0 -67.5 -42.4 34.6 2.5 55.4 102 137 A D H <5S+ 0 0 92 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.777 112.7 51.7 -70.9 -25.4 32.8 5.6 54.0 103 138 A L H <5S- 0 0 3 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.626 109.8-125.5 -83.9 -14.8 29.6 4.4 55.7 104 139 A G T <5 + 0 0 34 -4,-0.9 -3,-0.2 -3,-0.4 -4,-0.1 0.760 43.8 174.2 76.9 27.6 31.4 4.0 59.0 105 140 A V < - 0 0 16 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.1 -0.378 29.6-154.7 -69.7 144.3 30.3 0.4 59.6 106 141 A Y - 0 0 148 1,-0.2 2,-0.3 3,-0.1 -1,-0.1 0.696 64.9 -69.4 -87.6 -23.9 31.8 -1.5 62.5 107 142 A G S S- 0 0 20 -7,-0.1 -1,-0.2 19,-0.0 19,-0.1 -0.940 80.7 -1.6 168.2-146.1 31.3 -4.8 60.8 108 143 A A S S+ 0 0 26 -2,-0.3 -61,-0.2 1,-0.1 -67,-0.1 -0.970 98.9 32.4-131.2 146.3 28.4 -7.1 59.8 109 144 A P S S+ 0 0 8 0, 0.0 17,-1.6 0, 0.0 2,-0.3 0.559 70.8 145.6 -91.9 160.7 25.5 -7.2 59.9 110 145 A E E -DG 40 125B 2 -70,-1.4 -70,-3.3 15,-0.2 2,-0.4 -0.986 27.3-155.8-148.7 144.6 24.3 -3.6 59.8 111 146 A T E -DG 39 124B 1 13,-2.4 13,-2.9 -2,-0.3 2,-0.4 -0.991 5.0-165.1-130.3 130.2 21.2 -2.0 58.2 112 147 A F E -DG 38 123B 1 -74,-2.6 -74,-2.8 -2,-0.4 2,-0.6 -0.885 13.2-142.9-111.5 143.7 20.8 1.6 57.0 113 148 A L E -DG 37 122B 1 9,-2.6 8,-3.4 -2,-0.4 9,-1.3 -0.934 21.9-175.6-106.2 122.6 17.5 3.3 56.2 114 149 A I E -DG 36 120B 1 -78,-2.7 -78,-2.7 -2,-0.6 6,-0.2 -0.962 16.4-133.9-119.5 134.4 17.8 5.6 53.2 115 150 A D > - 0 0 5 4,-2.6 3,-2.5 -2,-0.4 -83,-0.2 -0.238 35.8 -88.9 -83.3 175.3 14.9 7.8 52.0 116 151 A G T 3 S+ 0 0 6 28,-0.3 -83,-1.8 -83,-0.3 -82,-0.2 0.681 126.3 54.4 -55.3 -20.6 13.6 8.4 48.5 117 152 A N T 3 S- 0 0 127 -84,-0.1 -1,-0.3 2,-0.1 -86,-0.1 0.249 121.0-103.3 -99.0 10.8 16.0 11.3 48.1 118 153 A G S < S+ 0 0 4 -3,-2.5 -108,-1.8 -88,-0.3 2,-0.5 0.723 73.9 142.3 77.5 21.1 19.1 9.3 49.0 119 154 A I B -A 9 0A 34 -110,-0.2 -4,-2.6 -4,-0.1 2,-0.4 -0.835 53.8-123.5 -99.4 129.8 19.4 10.7 52.5 120 155 A I E +G 114 0B 0 -112,-2.9 -113,-3.2 -2,-0.5 -112,-0.4 -0.588 35.6 169.6 -72.4 125.0 20.5 8.3 55.3 121 156 A R E + 0 0 77 -8,-3.4 2,-0.3 -2,-0.4 -7,-0.2 0.559 57.9 12.1-113.2 -15.9 17.9 8.4 58.0 122 157 A Y E -G 113 0B 65 -9,-1.3 -9,-2.6 -117,-0.1 2,-0.4 -0.974 50.2-162.0-163.2 148.7 18.8 5.5 60.3 123 158 A R E -G 112 0B 13 -2,-0.3 2,-0.6 -11,-0.2 -11,-0.2 -0.989 5.5-171.6-136.3 124.8 21.6 3.1 61.1 124 159 A H E -G 111 0B 26 -13,-2.9 -13,-2.4 -2,-0.4 2,-0.8 -0.955 10.8-155.9-118.6 112.6 21.2 -0.1 63.1 125 160 A A E +G 110 0B 33 -2,-0.6 2,-0.2 -15,-0.2 -15,-0.2 -0.789 65.5 35.5 -87.7 111.7 24.4 -1.9 64.0 126 161 A G S S- 0 0 22 -17,-1.6 -15,-0.1 -2,-0.8 -2,-0.1 -0.743 101.4 -33.6 134.9 177.1 23.4 -5.5 64.5 127 162 A D - 0 0 58 -2,-0.2 2,-0.7 -19,-0.1 5,-0.1 -0.333 53.7-122.3 -71.9 148.7 21.0 -8.1 63.1 128 163 A L + 0 0 1 4,-0.1 -74,-0.2 -18,-0.1 -73,-0.1 -0.810 44.1 157.9 -92.6 117.3 17.5 -7.2 61.8 129 164 A N > - 0 0 39 -2,-0.7 4,-2.6 -75,-0.1 5,-0.2 -0.816 57.1 -89.4-131.3 171.9 14.8 -9.0 63.7 130 165 A P H > S+ 0 0 62 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.857 124.2 52.0 -51.6 -39.0 11.0 -8.5 64.3 131 166 A R H > S+ 0 0 129 2,-0.2 4,-2.6 1,-0.2 5,-0.4 0.950 110.9 45.4 -65.1 -49.3 11.7 -6.5 67.4 132 167 A V H >>S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-1.6 0.925 116.4 47.7 -59.6 -44.2 14.2 -4.1 65.8 133 168 A W H <>S+ 0 0 17 -4,-2.6 5,-3.4 3,-0.2 -2,-0.2 0.965 115.1 43.1 -61.5 -53.6 11.8 -3.7 62.8 134 169 A E H <5S+ 0 0 120 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.907 125.9 31.1 -60.6 -45.5 8.7 -3.0 64.9 135 170 A E H <5S+ 0 0 131 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.823 133.0 18.3 -85.9 -35.5 10.2 -0.7 67.4 136 171 A E T <5S+ 0 0 53 -4,-2.5 4,-0.4 -5,-0.4 -3,-0.2 0.863 128.7 22.7-105.9 -50.0 13.0 1.1 65.6 137 172 A I T >> S+ 0 0 68 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.892 114.2 44.2 -58.8 -37.8 7.9 3.7 62.1 140 175 A L H <> S+ 0 0 47 -3,-0.7 4,-2.4 -4,-0.4 5,-0.2 0.885 110.8 53.6 -72.9 -40.8 10.5 5.5 60.1 141 176 A W H X S+ 0 0 29 -4,-2.8 4,-1.4 1,-0.2 -1,-0.2 0.915 109.6 49.1 -59.8 -43.9 10.0 3.4 56.9 142 177 A E H X S+ 0 0 89 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.902 109.6 52.0 -64.0 -41.3 6.3 4.2 57.0 143 178 A K H X S+ 0 0 95 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.971 114.7 40.1 -60.2 -54.8 7.0 8.0 57.4 144 179 A Y H X S+ 0 0 33 -4,-2.4 4,-1.6 1,-0.2 -28,-0.3 0.683 112.0 58.2 -70.1 -16.6 9.3 8.2 54.4 145 180 A S H X S+ 0 0 36 -4,-1.4 4,-1.7 -5,-0.2 -1,-0.2 0.887 107.3 47.1 -76.8 -39.6 7.1 5.8 52.4 146 181 A K H < S+ 0 0 160 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.1 0.859 113.8 47.6 -68.1 -37.6 4.1 8.2 52.8 147 182 A E H < S+ 0 0 114 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.898 110.6 50.7 -71.1 -40.7 6.2 11.2 51.9 148 183 A A H < 0 0 39 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.860 360.0 360.0 -64.3 -36.2 7.7 9.6 48.8 149 184 A A < 0 0 117 -4,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.936 360.0 360.0 -52.4 360.0 4.3 8.6 47.7