==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 30-OCT-09 3KH7 . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN DSBE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR A.DI MATTEO,N.CALOSCI,S.GIANNI,P.JEMTH,M.BRUNORI,C.TRAVAGLIN . 157 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8255.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 13.4 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 14 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.2 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 0 0 1 1 1 0 1 0 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 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 PARALLEL BRIDGES PER LADDER . 2 0 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 . 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 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 19 A V 0 0 188 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 102.6 -27.5 -24.9 15.1 2 20 A P - 0 0 138 0, 0.0 2,-0.4 0, 0.0 0, 0.0 -0.278 360.0-160.5 -64.2 145.9 -29.9 -23.0 12.8 3 21 A R - 0 0 237 3,-0.0 3,-0.1 0, 0.0 2,-0.0 -0.994 4.8-146.5-131.9 127.6 -28.4 -20.7 10.1 4 22 A G - 0 0 63 -2,-0.4 2,-0.0 1,-0.2 0, 0.0 -0.188 44.9 -57.5 -81.4 177.7 -30.2 -17.9 8.2 5 23 A S - 0 0 130 -2,-0.0 2,-0.4 1,-0.0 -1,-0.2 -0.279 49.7-176.4 -60.4 132.4 -29.8 -16.7 4.6 6 24 A H - 0 0 162 -3,-0.1 2,-0.5 -2,-0.0 -1,-0.0 -0.992 10.0-156.9-133.3 122.9 -26.3 -15.7 3.6 7 25 A M - 0 0 160 -2,-0.4 2,-0.0 1,-0.0 -2,-0.0 -0.878 17.4-122.0-107.8 131.5 -25.9 -14.3 0.1 8 26 A L - 0 0 58 -2,-0.5 5,-0.1 1,-0.1 -1,-0.0 -0.366 36.4-106.8 -62.4 146.2 -22.6 -14.3 -1.8 9 27 A D > - 0 0 72 1,-0.1 3,-2.6 3,-0.0 4,-0.4 -0.480 31.7-107.7 -75.0 152.4 -21.5 -10.9 -2.9 10 28 A P G > S+ 0 0 90 0, 0.0 3,-1.3 0, 0.0 6,-0.2 0.759 116.2 64.7 -48.3 -35.2 -21.8 -10.1 -6.6 11 29 A S G 3 S+ 0 0 43 1,-0.2 6,-0.1 5,-0.1 5,-0.0 0.693 96.3 59.8 -64.5 -18.0 -18.0 -10.4 -7.2 12 30 A E G < S+ 0 0 33 -3,-2.6 -1,-0.2 4,-0.1 105,-0.1 0.574 79.9 104.7 -88.7 -10.5 -18.2 -14.1 -6.3 13 31 A L S X S- 0 0 83 -3,-1.3 3,-1.8 -4,-0.4 4,-0.3 -0.444 80.5-122.1 -67.8 140.9 -20.6 -15.1 -9.0 14 32 A P T 3 S+ 0 0 62 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.846 113.7 54.3 -48.2 -36.8 -19.1 -17.0 -12.0 15 33 A S T > S+ 0 0 80 1,-0.2 3,-1.4 2,-0.1 -4,-0.1 0.629 82.1 95.1 -75.0 -12.6 -20.5 -14.3 -14.3 16 34 A A T < S+ 0 0 36 -3,-1.8 -1,-0.2 1,-0.3 -4,-0.1 0.829 93.9 26.4 -54.7 -47.7 -18.8 -11.3 -12.4 17 35 A L T > S+ 0 0 38 -3,-0.4 3,-2.3 -4,-0.3 114,-0.3 0.270 81.2 139.4-103.9 13.3 -15.6 -10.9 -14.4 18 36 A I T < S+ 0 0 65 -3,-1.4 114,-0.2 1,-0.3 -3,-0.0 -0.358 81.0 9.7 -61.6 130.3 -16.7 -12.2 -17.8 19 37 A G T 3 S+ 0 0 39 112,-2.9 -1,-0.3 1,-0.3 113,-0.1 0.497 106.9 115.7 76.1 4.4 -15.3 -9.9 -20.5 20 38 A K S < S- 0 0 113 -3,-2.3 111,-2.9 111,-0.3 -1,-0.3 -0.787 73.0-100.7-104.6 148.3 -13.1 -8.1 -18.0 21 39 A P B -A 130 0A 89 0, 0.0 109,-0.2 0, 0.0 108,-0.1 -0.351 47.9 -93.5 -62.8 143.4 -9.3 -8.0 -17.9 22 40 A F - 0 0 11 107,-2.4 17,-0.1 106,-0.1 20,-0.0 -0.357 58.2 -94.1 -50.4 131.1 -7.6 -10.2 -15.4 23 41 A P - 0 0 19 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.206 42.1-105.9 -54.0 141.9 -7.0 -8.1 -12.2 24 42 A A + 0 0 70 -3,-0.1 2,-0.3 14,-0.1 89,-0.1 -0.426 50.1 163.0 -66.8 142.3 -3.6 -6.4 -11.9 25 43 A F - 0 0 20 -2,-0.1 14,-0.7 2,-0.1 2,-0.3 -0.981 33.6-158.1-153.0 162.2 -1.3 -7.9 -9.4 26 44 A D E +B 38 0B 94 -2,-0.3 12,-0.2 12,-0.2 -2,-0.0 -0.832 37.7 151.3-143.0 102.2 2.4 -8.0 -8.3 27 45 A L E -B 37 0B 19 10,-2.5 10,-3.3 -2,-0.3 78,-0.1 -0.943 44.6-102.4-137.8 152.7 3.1 -11.1 -6.3 28 46 A P E -B 36 0B 29 0, 0.0 76,-2.8 0, 0.0 8,-0.2 -0.373 39.4-110.2 -71.7 152.5 6.0 -13.4 -5.5 29 47 A S B -C 103 0C 2 6,-2.7 74,-0.2 3,-0.9 6,-0.1 -0.371 26.2-119.3 -71.8 159.2 6.3 -16.8 -7.2 30 48 A V S S+ 0 0 1 72,-2.3 59,-0.1 1,-0.2 -1,-0.1 0.926 110.3 42.7 -66.8 -44.5 5.7 -19.9 -5.0 31 49 A Q S S+ 0 0 80 71,-0.3 -1,-0.2 1,-0.2 72,-0.1 0.688 125.9 27.7 -79.7 -17.7 9.2 -21.4 -5.5 32 50 A D > - 0 0 63 3,-0.2 3,-2.0 1,-0.1 -3,-0.9 -0.841 57.8-163.1-149.6 106.7 11.2 -18.1 -5.2 33 51 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.673 93.6 60.4 -67.2 -13.6 10.0 -15.1 -3.2 34 52 A A T 3 S+ 0 0 85 -6,-0.1 2,-0.7 2,-0.1 -2,-0.0 0.535 88.1 82.4 -88.7 -9.0 12.5 -12.9 -5.1 35 53 A R S < S- 0 0 121 -3,-2.0 -6,-2.7 -6,-0.1 2,-0.3 -0.884 71.8-157.2 -96.1 114.7 10.9 -13.7 -8.5 36 54 A R E -B 28 0B 135 -2,-0.7 2,-0.3 -8,-0.2 -2,-0.1 -0.720 6.6-164.0 -95.6 143.7 7.9 -11.4 -9.0 37 55 A L E -B 27 0B 9 -10,-3.3 -10,-2.5 -2,-0.3 2,-0.3 -0.916 6.9-177.3-120.6 149.2 5.0 -12.1 -11.3 38 56 A T E > -B 26 0B 40 -2,-0.3 3,-1.5 -12,-0.2 4,-0.3 -0.830 48.1 -90.5-132.1 177.1 2.3 -9.7 -12.6 39 57 A E G > S+ 0 0 53 -14,-0.7 3,-1.3 1,-0.3 4,-0.2 0.739 120.0 71.3 -63.3 -20.7 -0.9 -10.0 -14.8 40 58 A A G > S+ 0 0 56 1,-0.2 3,-1.5 -15,-0.2 -1,-0.3 0.864 89.2 60.9 -59.1 -36.3 1.4 -9.3 -17.8 41 59 A D G < S+ 0 0 73 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.2 0.595 95.8 62.5 -68.7 -12.3 2.9 -12.8 -17.3 42 60 A L G < S+ 0 0 0 -3,-1.3 3,-0.4 -4,-0.3 -1,-0.3 0.513 86.7 95.5 -89.3 -5.0 -0.5 -14.3 -17.9 43 61 A K < + 0 0 117 -3,-1.5 85,-0.2 -4,-0.2 84,-0.1 -0.549 53.9 58.4 -94.0 151.0 -0.8 -13.0 -21.5 44 62 A G S S+ 0 0 55 83,-2.6 83,-0.2 -2,-0.2 -1,-0.2 -0.164 97.5 36.6 133.9 -40.8 -0.0 -14.8 -24.8 45 63 A K S S- 0 0 134 -3,-0.4 84,-0.1 81,-0.2 80,-0.1 -0.979 88.1 -93.8-141.0 149.6 -2.1 -17.9 -25.0 46 64 A P + 0 0 14 0, 0.0 29,-0.5 0, 0.0 2,-0.3 -0.442 63.7 165.2 -61.1 142.4 -5.7 -19.0 -24.0 47 65 A A E -dE 75 125C 0 78,-2.2 78,-2.7 27,-0.1 2,-0.4 -0.958 40.8-113.5-155.9 163.4 -5.2 -20.5 -20.6 48 66 A L E -dE 76 124C 1 27,-2.6 29,-2.9 -2,-0.3 2,-0.5 -0.871 19.5-155.8-102.1 143.8 -6.8 -21.8 -17.3 49 67 A V E -dE 77 123C 0 74,-2.6 74,-2.8 -2,-0.4 2,-0.5 -0.980 16.3-165.2-118.8 114.2 -6.0 -20.0 -14.1 50 68 A N E -dE 78 122C 0 27,-2.8 29,-3.1 -2,-0.5 2,-0.5 -0.886 10.3-151.0-112.2 124.8 -6.6 -22.4 -11.2 51 69 A V E +dE 79 121C 0 70,-3.0 70,-1.0 -2,-0.5 2,-0.3 -0.839 33.4 155.8 -96.2 125.2 -6.9 -21.3 -7.5 52 70 A W E -d 80 0C 0 27,-2.7 29,-2.8 -2,-0.5 2,-0.3 -0.918 24.4-171.0-146.4 167.2 -5.6 -23.9 -5.1 53 71 A G > - 0 0 0 -2,-0.3 3,-1.6 27,-0.2 6,-0.2 -0.964 35.5-123.5-159.8 150.2 -4.2 -24.6 -1.6 54 72 A T T 3 S+ 0 0 30 -2,-0.3 6,-0.1 1,-0.3 29,-0.0 0.657 112.4 66.3 -66.5 -16.6 -2.7 -27.5 0.3 55 73 A W T 3 S+ 0 0 113 1,-0.1 -1,-0.3 27,-0.1 27,-0.0 0.478 87.0 88.1 -75.7 -7.1 -5.5 -26.8 2.9 56 74 A C X> - 0 0 5 -3,-1.6 4,-1.2 1,-0.2 3,-1.2 -0.827 55.3-170.5-109.1 101.4 -8.0 -27.9 0.2 57 75 A P H 3> S+ 0 0 85 0, 0.0 4,-1.9 0, 0.0 3,-0.2 0.858 89.9 60.8 -55.4 -35.9 -8.9 -31.6 -0.1 58 76 A S H 3> S+ 0 0 55 1,-0.2 4,-1.6 61,-0.2 5,-0.1 0.789 99.8 55.5 -61.8 -29.1 -10.8 -30.9 -3.4 59 77 A C H <> S+ 0 0 4 -3,-1.2 4,-1.3 -6,-0.2 -1,-0.2 0.858 103.1 54.5 -71.2 -35.9 -7.6 -29.6 -4.9 60 78 A R H >< S+ 0 0 138 -4,-1.2 3,-0.7 1,-0.2 -2,-0.2 0.970 111.9 45.3 -58.2 -49.1 -5.9 -33.0 -4.1 61 79 A V H 3< S+ 0 0 110 -4,-1.9 4,-0.3 1,-0.2 -2,-0.2 0.828 112.6 50.7 -62.3 -35.9 -8.8 -34.7 -6.0 62 80 A E H >X S+ 0 0 2 -4,-1.6 4,-1.6 1,-0.2 3,-0.7 0.699 86.3 89.0 -78.0 -18.3 -8.6 -32.2 -8.9 63 81 A H H S+ 0 0 69 0, 0.0 4,-2.4 0, 0.0 -1,-0.3 0.862 107.9 52.0 -59.5 -35.1 -4.9 -35.5 -11.9 65 83 A E H <> S+ 0 0 10 -3,-0.7 4,-2.2 -4,-0.3 -2,-0.2 0.888 107.4 51.2 -65.3 -40.3 -7.3 -33.7 -14.2 66 84 A L H X S+ 0 0 3 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.933 111.3 49.1 -62.2 -42.9 -5.1 -30.6 -14.4 67 85 A T H X S+ 0 0 27 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.936 108.7 53.5 -59.5 -46.7 -2.2 -32.8 -15.3 68 86 A R H X S+ 0 0 89 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.888 110.9 46.2 -53.9 -45.6 -4.3 -34.5 -18.0 69 87 A L H ><>S+ 0 0 1 -4,-2.2 5,-2.1 2,-0.2 3,-1.1 0.915 109.2 53.4 -65.8 -43.8 -5.2 -31.2 -19.6 70 88 A A H ><5S+ 0 0 34 -4,-2.5 3,-2.1 1,-0.3 -2,-0.2 0.898 103.2 58.5 -60.0 -41.0 -1.6 -29.9 -19.5 71 89 A E H 3<5S+ 0 0 151 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.720 102.5 55.5 -59.4 -22.2 -0.5 -33.1 -21.4 72 90 A Q T <<5S- 0 0 140 -3,-1.1 -1,-0.3 -4,-0.6 -2,-0.2 0.230 131.0 -93.4 -95.8 13.3 -2.9 -32.0 -24.1 73 91 A G T < 5S+ 0 0 53 -3,-2.1 2,-0.6 1,-0.3 -3,-0.2 0.501 74.6 149.8 92.4 3.8 -1.3 -28.6 -24.5 74 92 A V < - 0 0 11 -5,-2.1 2,-0.4 -6,-0.1 -1,-0.3 -0.633 42.6-136.8 -78.3 119.3 -3.5 -26.7 -22.1 75 93 A V E -d 47 0C 13 -2,-0.6 -27,-2.6 -29,-0.5 2,-0.4 -0.594 26.9-176.8 -72.7 126.3 -1.7 -23.8 -20.5 76 94 A I E -d 48 0C 0 22,-0.4 24,-2.7 -2,-0.4 25,-0.5 -0.998 11.3-165.4-131.3 129.2 -2.6 -23.6 -16.8 77 95 A Y E -df 49 101C 19 -29,-2.9 -27,-2.8 -2,-0.4 2,-0.4 -0.910 16.0-140.1-110.1 144.1 -1.4 -21.0 -14.3 78 96 A G E -df 50 102C 0 23,-3.2 25,-3.2 -2,-0.4 2,-0.6 -0.878 11.0-161.6-111.6 134.7 -1.8 -21.6 -10.6 79 97 A I E -df 51 103C 0 -29,-3.1 -27,-2.7 -2,-0.4 2,-0.9 -0.955 14.6-151.6-108.4 112.2 -2.8 -19.1 -7.8 80 98 A N E -df 52 104C 2 23,-3.1 25,-2.7 -2,-0.6 2,-0.5 -0.764 23.4-152.6 -85.7 104.6 -1.7 -20.6 -4.5 81 99 A Y E - f 0 105C 26 -29,-2.8 25,-0.2 -2,-0.9 23,-0.1 -0.762 53.6 -31.6 -99.5 121.3 -4.3 -18.9 -2.3 82 100 A K S S+ 0 0 119 23,-2.6 -1,-0.2 -2,-0.5 2,-0.2 0.861 99.9 142.9 46.0 50.0 -3.9 -18.1 1.5 83 101 A D - 0 0 27 -3,-0.3 2,-0.7 -31,-0.1 -1,-0.2 -0.596 63.1 -93.7-117.7 172.2 -1.6 -21.1 1.9 84 102 A D > - 0 0 100 -2,-0.2 4,-2.7 1,-0.2 5,-0.2 -0.799 34.1-148.5 -84.8 113.5 1.6 -22.3 3.8 85 103 A N H > S+ 0 0 67 -2,-0.7 4,-2.4 1,-0.2 5,-0.2 0.892 95.0 51.1 -57.3 -43.2 4.4 -21.6 1.3 86 104 A A H > S+ 0 0 66 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.917 112.6 46.8 -58.8 -42.9 6.6 -24.5 2.5 87 105 A A H > S+ 0 0 28 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.910 110.4 52.8 -65.6 -44.8 3.6 -26.9 2.1 88 106 A A H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.900 108.1 51.3 -56.7 -43.7 2.8 -25.5 -1.4 89 107 A I H X S+ 0 0 48 -4,-2.4 4,-1.2 2,-0.2 -1,-0.2 0.938 109.6 49.3 -60.1 -47.9 6.4 -26.0 -2.5 90 108 A K H >X S+ 0 0 150 -4,-2.1 4,-3.1 1,-0.2 3,-0.6 0.921 110.2 51.7 -56.0 -46.4 6.2 -29.7 -1.3 91 109 A W H 3X S+ 0 0 25 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.904 110.3 48.0 -57.1 -43.2 3.0 -30.1 -3.2 92 110 A L H 3<>S+ 0 0 8 -4,-2.4 5,-0.5 1,-0.2 -1,-0.2 0.673 118.8 41.6 -72.6 -18.8 4.5 -28.7 -6.4 93 111 A N H <<5S+ 0 0 128 -4,-1.2 -2,-0.2 -3,-0.6 -1,-0.2 0.813 117.4 41.7 -95.1 -39.1 7.6 -31.0 -6.0 94 112 A E H <5S+ 0 0 79 -4,-3.1 2,-0.3 -5,-0.2 -3,-0.2 0.591 113.6 55.9 -90.5 -14.1 6.0 -34.3 -4.9 95 113 A L T <5S- 0 0 69 -4,-1.3 2,-1.3 -5,-0.3 0, 0.0 -0.804 105.5 -89.4-112.9 157.2 3.0 -34.2 -7.3 96 114 A H T 5 - 0 0 67 -2,-0.3 -3,-0.1 1,-0.1 -2,-0.1 -0.549 49.3-132.6 -70.6 93.7 3.3 -33.8 -11.1 97 115 A N < - 0 0 69 -2,-1.3 -1,-0.1 -5,-0.5 -5,-0.1 -0.224 27.7-179.0 -55.6 112.7 3.3 -30.0 -11.4 98 116 A P + 0 0 8 0, 0.0 2,-0.4 0, 0.0 -22,-0.4 0.511 49.4 100.3 -88.7 -2.8 0.7 -29.0 -14.1 99 117 A Y - 0 0 14 1,-0.1 -22,-0.2 -24,-0.1 3,-0.1 -0.713 53.3-163.0-100.3 130.8 1.3 -25.2 -13.8 100 118 A L S S+ 0 0 114 -24,-2.7 2,-0.3 -2,-0.4 -23,-0.2 0.744 90.2 18.8 -75.0 -26.4 3.5 -23.0 -16.1 101 119 A L E - f 0 77C 45 -25,-0.5 -23,-3.2 2,-0.0 2,-0.5 -0.987 67.3-156.9-140.2 145.5 3.5 -20.3 -13.4 102 120 A S E - f 0 78C 3 -2,-0.3 -72,-2.3 -25,-0.2 2,-0.5 -0.956 13.1-162.5-126.5 109.1 2.7 -20.6 -9.7 103 121 A I E -Cf 29 79C 0 -25,-3.2 -23,-3.1 -2,-0.5 2,-0.9 -0.795 14.0-137.7 -95.5 128.0 1.7 -17.3 -8.1 104 122 A S E + f 0 80C 12 -76,-2.8 2,-0.6 -2,-0.5 3,-0.2 -0.766 23.9 175.4 -88.9 106.8 1.8 -16.9 -4.3 105 123 A D E > + f 0 81C 0 -25,-2.7 -23,-2.6 -2,-0.9 3,-0.8 -0.571 14.2 159.5-104.2 65.9 -1.3 -15.1 -3.1 106 124 A A T 3 S+ 0 0 51 -2,-0.6 -1,-0.2 1,-0.3 -25,-0.0 0.795 74.5 36.2 -66.1 -33.7 -0.5 -15.5 0.6 107 125 A D T 3 S- 0 0 139 -3,-0.2 -1,-0.3 -25,-0.1 -26,-0.1 0.499 107.4-122.2 -94.9 -4.5 -2.8 -12.7 1.9 108 126 A G <> + 0 0 4 -3,-0.8 4,-2.4 -28,-0.2 8,-0.1 0.632 67.9 136.2 71.2 18.3 -5.5 -13.4 -0.7 109 127 A T H > S+ 0 0 80 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.829 76.0 45.6 -64.8 -33.6 -5.5 -9.9 -2.3 110 128 A L H > S+ 0 0 1 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.941 112.0 51.9 -72.9 -47.1 -5.6 -11.3 -5.8 111 129 A G H >>S+ 0 0 1 1,-0.2 5,-2.7 2,-0.2 4,-1.1 0.883 104.8 58.9 -50.8 -41.7 -8.3 -13.7 -4.8 112 130 A L H ><5S+ 0 0 126 -4,-2.4 3,-0.7 1,-0.2 -1,-0.2 0.923 106.8 44.9 -56.6 -45.5 -10.2 -10.7 -3.4 113 131 A D H 3<5S+ 0 0 91 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.808 114.7 50.3 -67.3 -30.3 -10.3 -9.0 -6.8 114 132 A L H 3<5S- 0 0 2 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.577 112.3-116.8 -82.1 -13.3 -11.3 -12.3 -8.4 115 133 A G T <<5 + 0 0 3 -4,-1.1 2,-0.3 -3,-0.7 -3,-0.2 0.809 52.1 170.9 75.8 32.3 -14.2 -13.0 -6.0 116 134 A V < + 0 0 8 -5,-2.7 -1,-0.2 -8,-0.1 3,-0.1 -0.569 15.9 162.3 -75.6 136.3 -12.5 -16.2 -4.7 117 135 A Y - 0 0 107 -2,-0.3 2,-0.3 1,-0.3 -1,-0.1 0.216 65.7 -19.4-137.2 15.5 -14.2 -17.7 -1.7 118 136 A G S S- 0 0 20 19,-0.0 -1,-0.3 -62,-0.0 19,-0.1 -0.975 84.2 -33.6 170.7-167.3 -12.8 -21.2 -1.7 119 137 A A S S+ 0 0 22 -2,-0.3 -61,-0.2 1,-0.2 19,-0.2 -0.988 91.2 20.6-149.2 160.0 -11.0 -23.8 -3.9 120 138 A P + 0 0 2 0, 0.0 17,-2.1 0, 0.0 2,-0.3 0.636 66.6 158.5 -79.0 159.1 -10.6 -25.0 -6.4 121 139 A E E -EG 51 136C 3 -70,-1.0 -70,-3.0 15,-0.2 2,-0.4 -0.983 20.4-158.4-135.0 144.3 -11.9 -22.3 -8.8 122 140 A T E -EG 50 135C 0 13,-2.6 13,-3.1 -2,-0.3 2,-0.4 -0.985 4.2-162.8-132.1 129.3 -10.8 -22.0 -12.4 123 141 A Y E -EG 49 134C 3 -74,-2.8 -74,-2.6 -2,-0.4 2,-0.5 -0.854 12.0-144.7-104.9 141.5 -10.8 -19.1 -14.8 124 142 A L E -EG 48 133C 0 9,-2.7 8,-3.7 -2,-0.4 9,-1.1 -0.936 24.0-176.0 -99.3 123.5 -10.6 -19.3 -18.6 125 143 A I E -EG 47 131C 0 -78,-2.7 -78,-2.2 -2,-0.5 6,-0.2 -0.895 17.0-134.9-116.0 149.2 -8.7 -16.4 -20.1 126 144 A D > - 0 0 13 4,-1.9 3,-2.3 -2,-0.3 -81,-0.2 -0.343 46.3 -79.2 -87.8-179.5 -8.0 -15.6 -23.8 127 145 A K T 3 S+ 0 0 31 1,-0.3 -83,-2.6 28,-0.2 -82,-0.1 0.698 130.9 53.2 -54.6 -24.4 -4.6 -14.5 -25.3 128 146 A Q T 3 S- 0 0 128 -85,-0.2 -1,-0.3 2,-0.1 -85,-0.1 0.383 119.6-106.0 -93.5 2.7 -5.1 -11.0 -23.9 129 147 A G < + 0 0 4 -3,-2.3 -107,-2.4 1,-0.3 2,-0.4 0.607 69.6 149.7 80.8 11.7 -5.7 -12.0 -20.3 130 148 A I B -A 21 0A 32 -109,-0.2 -4,-1.9 1,-0.1 -1,-0.3 -0.657 50.5-119.7 -78.8 132.4 -9.5 -11.2 -20.6 131 149 A I E +G 125 0C 1 -111,-2.9 -112,-2.9 -2,-0.4 -111,-0.3 -0.536 38.0 168.6 -72.2 128.9 -11.6 -13.5 -18.4 132 150 A R E + 0 0 91 -8,-3.7 2,-0.3 1,-0.4 -7,-0.2 0.581 61.0 2.1-118.7 -17.9 -14.1 -15.5 -20.5 133 151 A H E -G 124 0C 55 -9,-1.1 -9,-2.7 -116,-0.1 -1,-0.4 -0.947 54.8-152.8-164.5 151.2 -15.5 -18.1 -18.0 134 152 A K E -G 123 0C 6 -2,-0.3 2,-0.5 -11,-0.2 -11,-0.2 -0.998 4.6-162.1-133.5 134.8 -15.3 -19.1 -14.4 135 153 A I E -G 122 0C 8 -13,-3.1 -13,-2.6 -2,-0.4 2,-0.5 -0.946 7.9-153.9-110.8 130.3 -15.8 -22.6 -12.8 136 154 A V E +G 121 0C 60 -2,-0.5 -15,-0.2 -15,-0.2 2,-0.1 -0.934 64.4 7.6-103.0 125.7 -16.5 -22.8 -9.1 137 155 A G S S- 0 0 24 -17,-2.1 -15,-0.2 -2,-0.5 -2,-0.0 -0.191 108.9 -14.0 93.0 171.4 -15.4 -26.2 -7.7 138 156 A V - 0 0 50 -19,-0.2 2,-0.6 1,-0.1 -2,-0.1 -0.112 54.4-143.2 -49.5 128.9 -13.6 -29.3 -9.1 139 157 A V + 0 0 1 -4,-0.1 2,-0.2 4,-0.1 -74,-0.2 -0.886 29.0 171.2 -90.6 119.4 -13.1 -29.5 -12.9 140 158 A D > - 0 0 78 -2,-0.6 4,-2.8 -75,-0.1 5,-0.2 -0.556 52.8 -82.3-114.3-173.9 -13.4 -33.1 -14.0 141 159 A Q H > S+ 0 0 114 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.884 130.3 48.1 -60.8 -38.4 -13.5 -34.5 -17.5 142 160 A K H > S+ 0 0 34 2,-0.2 4,-2.4 1,-0.2 5,-0.4 0.926 111.8 48.3 -68.8 -44.8 -17.3 -33.8 -17.8 143 161 A V H >>S+ 0 0 23 1,-0.2 4,-2.4 2,-0.2 5,-0.6 0.923 115.1 47.0 -59.0 -45.3 -16.9 -30.2 -16.6 144 162 A W H X>S+ 0 0 36 -4,-2.8 5,-3.4 3,-0.2 4,-1.6 0.957 114.6 46.1 -57.3 -51.9 -14.0 -29.7 -19.0 145 163 A R H <5S+ 0 0 147 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.855 125.8 27.2 -63.7 -41.7 -15.9 -31.3 -22.0 146 164 A E H <5S+ 0 0 129 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.816 131.0 30.4 -92.7 -34.7 -19.2 -29.5 -21.5 147 165 A Q H <5S+ 0 0 88 -4,-2.4 -3,-0.2 -5,-0.4 -2,-0.2 0.611 130.4 14.8-110.9 -17.4 -18.3 -26.2 -19.7 148 166 A L T X S+ 0 0 79 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.911 116.2 42.7 -62.8 -38.5 -15.9 -25.5 -26.5 151 169 A L H > S+ 0 0 56 -3,-0.5 4,-1.9 2,-0.2 -2,-0.2 0.926 114.1 51.6 -65.1 -48.6 -15.0 -22.0 -25.3 152 170 A Y H X S+ 0 0 22 -4,-3.1 4,-1.5 1,-0.2 -3,-0.2 0.911 108.0 52.0 -57.5 -44.8 -11.3 -22.9 -25.1 153 171 A Q H X S+ 0 0 113 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.866 107.9 52.0 -60.0 -39.4 -11.4 -24.2 -28.7 154 172 A Q H < S+ 0 0 66 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.849 108.1 51.8 -64.7 -36.1 -13.0 -21.0 -29.9 155 173 A L H < S+ 0 0 47 -4,-1.9 -28,-0.2 1,-0.2 -1,-0.2 0.784 107.3 52.6 -72.5 -29.7 -10.2 -19.0 -28.3 156 174 A L H < 0 0 90 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.907 360.0 360.0 -67.4 -44.5 -7.5 -21.1 -29.9 157 175 A D < 0 0 114 -4,-1.7 0, 0.0 -5,-0.1 0, 0.0 -0.283 360.0 360.0 -72.4 360.0 -9.0 -20.5 -33.4