==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUL-12 4G2E . COMPND 2 MOLECULE: PEROXIREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SULFOLOBUS TOKODAII; . AUTHOR A.PERKINS,M.C.GRETES,P.A.KARPLUS . 151 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8130.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 26 17.2 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 . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 10 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 1 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 2 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 -2 A G 0 0 123 0, 0.0 2,-0.4 0, 0.0 96,-0.0 0.000 360.0 360.0 360.0-177.1 36.7 12.2 19.0 2 -1 A H + 0 0 106 94,-0.1 2,-0.3 2,-0.0 96,-0.1 -0.822 360.0 159.0-109.3 132.2 33.2 12.4 17.5 3 1 A M - 0 0 117 -2,-0.4 2,-0.5 94,-0.1 96,-0.1 -0.971 21.3-155.2-144.9 131.1 31.5 15.3 15.9 4 2 A V + 0 0 0 -2,-0.3 2,-0.3 94,-0.3 6,-0.1 -0.946 18.9 176.6-112.8 125.4 28.5 15.2 13.5 5 3 A E > - 0 0 86 -2,-0.5 3,-1.9 4,-0.1 121,-0.3 -0.902 38.7 -86.7-126.2 154.2 28.0 18.0 11.0 6 4 A I T 3 S+ 0 0 93 -2,-0.3 121,-0.2 1,-0.2 3,-0.1 -0.300 113.4 27.9 -52.4 135.8 25.6 18.8 8.2 7 5 A G T 3 S+ 0 0 45 119,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.207 94.7 115.5 94.8 -13.7 26.8 17.3 4.9 8 6 A E S < S- 0 0 83 -3,-1.9 118,-3.0 118,-0.1 -1,-0.3 -0.539 78.6 -97.9 -84.0 152.9 28.7 14.4 6.5 9 7 A L B -A 125 0A 100 116,-0.3 116,-0.3 -2,-0.2 -4,-0.1 -0.560 48.8-111.7 -63.5 125.0 27.9 10.8 6.0 10 8 A A - 0 0 8 114,-3.0 -1,-0.1 -2,-0.3 88,-0.1 -0.408 37.8-100.4 -60.1 131.4 25.9 9.8 9.1 11 9 A P - 0 0 34 0, 0.0 -1,-0.1 0, 0.0 14,-0.1 -0.333 42.3-125.2 -55.5 129.5 28.0 7.4 11.3 12 10 A D + 0 0 60 13,-0.1 2,-0.3 -3,-0.1 12,-0.0 -0.333 37.3 164.1 -74.7 158.2 26.7 3.9 10.7 13 11 A F - 0 0 6 -2,-0.1 12,-2.3 2,-0.0 2,-0.4 -0.972 29.9-142.3-164.2 163.3 25.5 1.6 13.4 14 12 A E E +B 24 0B 83 -2,-0.3 10,-0.2 10,-0.2 8,-0.1 -0.975 29.0 165.1-136.1 121.4 23.6 -1.6 14.2 15 13 A L E -B 23 0B 8 8,-2.2 8,-2.5 -2,-0.4 2,-0.3 -0.942 37.4-102.0-134.5 155.7 21.3 -1.8 17.2 16 14 A P E -B 22 0B 22 0, 0.0 72,-2.2 0, 0.0 6,-0.2 -0.559 30.9-145.1 -78.9 138.5 18.6 -4.1 18.4 17 15 A D B > -C 87 0C 13 4,-2.3 3,-2.2 -2,-0.3 70,-0.2 -0.165 44.7 -76.8 -83.4-172.0 15.0 -3.0 18.1 18 16 A T T 3 S+ 0 0 12 68,-0.5 56,-0.1 1,-0.3 69,-0.1 0.623 136.2 48.5 -68.0 -12.4 12.2 -3.8 20.6 19 17 A E T 3 S- 0 0 116 2,-0.1 -1,-0.3 55,-0.0 3,-0.1 0.193 121.1-108.6-105.3 10.7 12.0 -7.4 19.1 20 18 A L S < S+ 0 0 102 -3,-2.2 2,-0.4 1,-0.3 -2,-0.1 0.613 70.7 147.9 68.5 17.2 15.8 -7.7 19.4 21 19 A K - 0 0 137 1,-0.1 -4,-2.3 -5,-0.0 2,-0.3 -0.673 53.3-114.4 -80.8 133.7 16.1 -7.6 15.6 22 20 A K E -B 16 0B 154 -2,-0.4 2,-0.5 -6,-0.2 -1,-0.1 -0.509 30.4-165.9 -71.1 130.2 19.3 -5.9 14.4 23 21 A V E -B 15 0B 19 -8,-2.5 -8,-2.2 -2,-0.3 2,-0.5 -0.986 1.3-162.2-121.2 121.9 18.7 -2.7 12.6 24 22 A K E > -B 14 0B 93 -2,-0.5 3,-1.0 -10,-0.2 4,-0.3 -0.905 13.4-147.1-108.9 124.3 21.6 -1.2 10.5 25 23 A L G > S+ 0 0 11 -12,-2.3 3,-2.2 -2,-0.5 4,-0.1 0.909 96.6 56.2 -57.0 -45.4 21.4 2.5 9.5 26 24 A S G > S+ 0 0 37 -13,-0.3 3,-1.5 1,-0.3 -1,-0.2 0.747 92.9 69.5 -65.7 -19.9 23.2 2.1 6.2 27 25 A A G < S+ 0 0 78 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.637 90.8 65.1 -69.4 -10.3 20.7 -0.5 5.1 28 26 A L G X + 0 0 24 -3,-2.2 3,-2.1 -4,-0.3 -1,-0.3 0.418 68.0 132.2 -94.1 0.4 18.2 2.4 4.9 29 27 A K T < + 0 0 108 -3,-1.5 94,-0.2 1,-0.3 93,-0.1 -0.290 65.3 44.9 -49.8 139.1 20.0 4.2 2.1 30 28 A G T 3 S+ 0 0 50 92,-2.2 2,-0.3 1,-0.3 -1,-0.3 0.198 106.7 76.9 98.3 -11.2 17.4 5.1 -0.5 31 29 A K S < S- 0 0 116 -3,-2.1 2,-0.3 90,-0.2 -1,-0.3 -0.957 85.5-112.0-129.2 147.6 15.1 6.3 2.2 32 30 A V - 0 0 9 -2,-0.3 29,-2.6 27,-0.1 2,-0.4 -0.634 39.1-162.2 -73.8 137.0 14.9 9.5 4.3 33 31 A V E -dE 61 120C 3 87,-2.4 87,-3.2 -2,-0.3 2,-0.5 -0.948 13.6-160.6-126.4 141.5 15.7 8.6 7.9 34 32 A V E -dE 62 119C 0 27,-2.4 29,-3.0 -2,-0.4 2,-0.6 -0.988 8.3-154.7-122.2 119.0 15.1 10.6 11.1 35 33 A L E -dE 63 118C 0 83,-2.9 83,-1.9 -2,-0.5 2,-0.6 -0.858 10.4-170.8 -89.5 125.8 17.0 9.7 14.2 36 34 A A E -dE 64 117C 1 27,-2.8 29,-2.3 -2,-0.6 2,-0.3 -0.880 4.5-167.5-122.3 93.7 15.1 10.7 17.3 37 35 A F E -dE 65 116C 3 79,-2.1 79,-1.5 -2,-0.6 29,-0.2 -0.628 7.4-179.1 -79.3 139.1 17.2 10.3 20.4 38 36 A Y - 0 0 2 27,-2.3 75,-0.4 -2,-0.3 29,-0.3 -0.994 30.0-130.9-137.7 149.2 15.6 10.5 23.8 39 37 A P S S- 0 0 6 0, 0.0 28,-0.4 0, 0.0 74,-0.4 0.908 80.6 -4.7 -64.3 -45.8 17.0 10.3 27.4 40 38 A A > - 0 0 24 26,-0.1 3,-1.2 72,-0.1 72,-0.0 -0.922 59.8-120.0-160.9 127.8 14.7 7.7 28.9 41 39 A A T 3 S+ 0 0 13 -2,-0.3 32,-0.1 1,-0.2 31,-0.0 -0.334 101.0 21.9 -54.6 142.1 11.6 5.6 28.3 42 40 A F T 3 S+ 0 0 102 1,-0.2 2,-0.3 31,-0.1 -1,-0.2 0.706 77.1 165.3 68.1 24.4 8.8 6.3 30.8 43 41 A T < - 0 0 70 -3,-1.2 2,-0.3 1,-0.1 -1,-0.2 -0.581 33.1-132.2 -66.8 131.2 10.0 9.8 31.8 44 42 A Q 0 0 187 -2,-0.3 -1,-0.1 6,-0.1 6,-0.0 -0.663 360.0 360.0 -94.8 143.7 7.0 11.4 33.5 45 43 A V 0 0 141 -2,-0.3 -2,-0.0 2,-0.2 0, 0.0 -0.945 360.0 360.0-126.8 360.0 5.6 14.8 32.9 46 ! 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 47 50 A T 0 0 132 0, 0.0 -2,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 149.7 0.6 13.6 30.4 48 51 A F + 0 0 155 1,-0.2 2,-0.4 2,-0.0 0, 0.0 0.722 360.0 32.0 -83.8 -21.0 -1.2 10.7 28.8 49 52 A R S S- 0 0 80 32,-0.0 -1,-0.2 31,-0.0 31,-0.1 -0.990 82.5-113.0-144.1 136.5 1.3 10.2 26.0 50 53 A D > - 0 0 26 -2,-0.4 3,-2.0 26,-0.1 4,-0.1 -0.243 29.3-119.4 -60.3 146.2 5.0 10.6 25.6 51 54 A S G > S+ 0 0 25 1,-0.3 3,-2.0 2,-0.2 4,-0.2 0.663 104.9 80.7 -62.9 -17.9 6.2 13.3 23.1 52 55 A M G > S+ 0 0 1 1,-0.3 3,-2.0 2,-0.2 -1,-0.3 0.773 77.2 74.1 -58.7 -23.4 8.0 10.7 21.0 53 56 A A G X S+ 0 0 17 -3,-2.0 3,-1.9 1,-0.3 4,-0.3 0.702 75.7 77.6 -64.8 -17.7 4.5 10.0 19.6 54 57 A K G X S+ 0 0 95 -3,-2.0 3,-0.5 1,-0.3 -1,-0.3 0.691 86.2 61.5 -64.4 -15.3 4.9 13.3 17.6 55 58 A F G X S+ 0 0 7 -3,-2.0 3,-1.4 1,-0.2 -1,-0.3 0.522 79.0 88.0 -85.3 -4.9 7.1 11.3 15.3 56 59 A N G < S+ 0 0 41 -3,-1.9 -1,-0.2 1,-0.3 -2,-0.1 0.812 88.9 48.5 -60.9 -29.3 4.2 9.0 14.3 57 60 A Q G < S+ 0 0 144 -3,-0.5 -1,-0.3 -4,-0.3 2,-0.2 0.415 83.2 118.7 -93.7 0.6 3.2 11.4 11.6 58 61 A V < - 0 0 16 -3,-1.4 2,-1.8 1,-0.1 4,-0.2 -0.488 63.8-134.5 -78.3 134.4 6.6 11.9 10.0 59 62 A N S S+ 0 0 125 -2,-0.2 2,-0.3 2,-0.1 -27,-0.1 -0.425 78.7 66.0 -84.9 63.9 7.0 10.8 6.3 60 63 A A S S- 0 0 27 -2,-1.8 2,-0.9 -29,-0.1 -27,-0.2 -0.940 99.3 -76.9-162.4 176.3 10.3 9.1 6.8 61 64 A V E -d 33 0C 43 -29,-2.6 -27,-2.4 -2,-0.3 2,-0.5 -0.811 51.4-159.4 -88.3 105.8 11.8 6.1 8.6 62 65 A V E -d 34 0C 5 -2,-0.9 23,-0.7 -29,-0.2 2,-0.6 -0.764 8.9-166.7 -88.4 130.3 12.0 7.3 12.2 63 66 A L E -df 35 85C 2 -29,-3.0 -27,-2.8 -2,-0.5 2,-0.3 -0.956 7.7-156.3-114.2 108.5 14.4 5.4 14.5 64 67 A G E -df 36 86C 0 21,-2.7 23,-3.3 -2,-0.6 2,-0.4 -0.666 16.2-167.7 -77.5 141.7 13.9 6.3 18.1 65 68 A I E +df 37 87C 0 -29,-2.3 -27,-2.3 -2,-0.3 2,-0.3 -0.981 19.0 147.1-139.4 125.9 17.0 5.7 20.1 66 69 A S E - f 0 88C 0 21,-1.9 23,-2.7 -2,-0.4 -26,-0.1 -0.940 52.6-114.1-143.4 170.6 17.7 5.5 23.8 67 70 A V S S+ 0 0 4 -28,-0.4 21,-0.1 -29,-0.3 -27,-0.1 0.376 78.1 116.7 -87.5 4.0 20.0 3.7 26.2 68 71 A D S S- 0 0 15 19,-0.2 -2,-0.2 1,-0.1 22,-0.1 -0.382 76.6 -98.4 -66.4 152.4 17.1 1.8 27.7 69 72 A P > - 0 0 55 0, 0.0 4,-2.5 0, 0.0 3,-0.5 -0.331 31.9-112.1 -72.8 159.7 17.0 -2.0 27.3 70 73 A P H > S+ 0 0 11 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.846 113.3 58.7 -68.8 -24.6 14.8 -3.4 24.5 71 74 A F H > S+ 0 0 151 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.900 112.2 40.1 -69.7 -41.9 12.4 -5.1 26.8 72 75 A S H > S+ 0 0 56 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.894 113.1 54.3 -73.1 -40.7 11.5 -1.8 28.5 73 76 A N H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.861 105.0 56.0 -61.8 -31.0 11.6 0.1 25.2 74 77 A K H X S+ 0 0 72 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.949 109.2 44.8 -65.2 -46.1 9.0 -2.5 23.9 75 78 A A H X S+ 0 0 46 -4,-1.5 4,-2.7 1,-0.2 -2,-0.2 0.895 114.0 50.8 -63.2 -38.1 6.6 -1.7 26.7 76 79 A F H X S+ 0 0 0 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.920 109.7 50.2 -64.6 -44.5 7.2 2.1 26.2 77 80 A K H <>S+ 0 0 42 -4,-2.7 5,-2.5 1,-0.2 4,-0.3 0.917 115.1 43.1 -59.6 -45.2 6.5 1.7 22.4 78 81 A E H ><5S+ 0 0 121 -4,-2.2 3,-1.1 3,-0.2 -2,-0.2 0.922 111.9 52.4 -71.6 -42.2 3.3 -0.1 23.1 79 82 A H H 3<5S+ 0 0 122 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.878 117.8 38.0 -62.0 -38.0 2.1 2.1 25.9 80 83 A N T 3<5S- 0 0 7 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.303 107.3-123.0 -98.5 8.3 2.6 5.2 23.8 81 84 A K T < 5 + 0 0 140 -3,-1.1 2,-0.4 -4,-0.3 -3,-0.2 0.885 42.3 178.3 51.7 45.1 1.4 3.7 20.5 82 85 A L < - 0 0 7 -5,-2.5 -1,-0.2 -6,-0.2 -29,-0.1 -0.676 16.6-162.3 -78.3 129.0 4.7 4.5 18.8 83 86 A N + 0 0 107 -2,-0.4 2,-0.2 -30,-0.1 -1,-0.1 0.345 59.8 73.7 -97.9 8.4 4.4 3.2 15.2 84 87 A F S S- 0 0 16 1,-0.1 -21,-0.1 -7,-0.1 2,-0.1 -0.686 91.6 -73.6-124.5 169.3 8.1 3.3 14.4 85 88 A T E - f 0 63C 48 -23,-0.7 -21,-2.7 -2,-0.2 2,-0.5 -0.401 39.8-161.1 -68.6 133.5 11.3 1.4 15.2 86 89 A I E - f 0 64C 0 -23,-0.2 -68,-0.5 -2,-0.1 2,-0.3 -0.985 9.4-160.8-119.2 121.6 12.8 1.9 18.7 87 90 A L E -Cf 17 65C 0 -23,-3.3 -21,-1.9 -2,-0.5 2,-0.7 -0.766 12.7-137.8-108.0 147.2 16.4 1.0 19.2 88 91 A S E - f 0 66C 0 -72,-2.2 2,-1.8 -2,-0.3 -21,-0.2 -0.883 9.1-170.0-110.4 106.0 18.4 0.3 22.4 89 92 A D > + 0 0 1 -23,-2.7 3,-2.0 -2,-0.7 6,-0.2 -0.443 25.4 161.5 -84.9 60.5 21.9 1.8 22.5 90 93 A Y T 3 S+ 0 0 119 -2,-1.8 -1,-0.2 1,-0.3 -23,-0.1 0.730 70.9 42.6 -68.0 -22.3 22.5 -0.2 25.6 91 94 A N T 3 S- 0 0 119 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.263 109.4-120.2-103.8 9.7 26.4 0.0 25.4 92 95 A R S <> S+ 0 0 56 -3,-2.0 4,-1.5 1,-0.1 5,-0.1 0.641 70.6 135.2 64.8 19.3 26.2 3.8 24.5 93 96 A E H > S+ 0 0 80 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.917 72.6 41.4 -59.8 -44.9 28.0 3.2 21.2 94 97 A V H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 6,-0.2 0.891 108.8 55.1 -82.1 -38.4 25.6 5.4 19.2 95 98 A V H 4>S+ 0 0 0 1,-0.2 5,-2.6 2,-0.2 6,-0.5 0.888 112.8 47.6 -60.4 -32.6 25.2 8.3 21.6 96 99 A K H ><5S+ 0 0 122 -4,-1.5 3,-1.3 3,-0.2 -2,-0.2 0.952 109.5 50.9 -70.4 -46.3 29.0 8.5 21.5 97 100 A K H 3<5S+ 0 0 54 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.809 116.9 41.3 -58.5 -34.0 29.2 8.3 17.7 98 101 A Y T 3<5S- 0 0 2 -4,-2.2 -94,-0.3 -5,-0.1 -1,-0.3 0.401 108.4-125.0 -95.7 2.5 26.6 11.1 17.4 99 102 A N T < 5S+ 0 0 82 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.888 75.1 122.3 54.4 42.3 28.1 13.1 20.3 100 103 A V < + 0 0 0 -5,-2.6 14,-2.7 -6,-0.2 2,-0.3 -0.029 35.0 124.3-120.9 29.6 24.8 13.2 22.1 101 104 A A E +H 113 0D 35 -6,-0.5 2,-0.3 12,-0.2 12,-0.2 -0.650 26.7 161.1 -89.3 145.8 25.9 11.6 25.4 102 105 A W E -H 112 0D 49 10,-1.9 10,-2.6 -2,-0.3 2,-0.5 -0.950 38.7-109.6-148.3 169.9 25.5 13.1 28.9 103 106 A E E -H 111 0D 111 -2,-0.3 8,-0.2 8,-0.2 -2,-0.0 -0.891 36.2-117.1-101.4 130.8 25.5 11.9 32.5 104 107 A F > - 0 0 75 6,-2.6 3,-1.6 -2,-0.5 6,-0.3 -0.470 20.6-134.9 -69.9 129.5 22.1 12.0 34.2 105 108 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.855 101.1 44.3 -55.8 -40.1 22.4 14.4 37.2 106 109 A A T 3 S+ 0 0 76 1,-0.2 -2,-0.1 2,-0.0 -3,-0.0 0.502 111.1 57.7 -83.6 -4.9 20.6 12.2 39.7 107 110 A L S X S- 0 0 85 -3,-1.6 3,-2.3 3,-0.2 -3,-0.3 -0.803 80.8-139.7-133.3 92.5 22.5 9.0 38.7 108 111 A P T 3 S+ 0 0 119 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.206 88.3 7.6 -53.3 128.3 26.3 9.1 38.9 109 112 A G T 3 S+ 0 0 62 1,-0.2 2,-0.9 -5,-0.1 -6,-0.0 0.522 90.8 132.8 79.6 3.8 27.9 7.3 36.0 110 113 A Y < - 0 0 69 -3,-2.3 -6,-2.6 -6,-0.3 2,-0.4 -0.817 39.4-164.6 -91.1 105.4 24.6 6.8 34.1 111 114 A V E +H 103 0D 52 -2,-0.9 2,-0.3 -8,-0.2 -8,-0.2 -0.760 18.1 159.0 -93.8 133.9 25.2 7.9 30.6 112 115 A L E -H 102 0D 2 -10,-2.6 -10,-1.9 -2,-0.4 2,-0.2 -0.872 39.9 -79.9-145.6 173.4 22.2 8.5 28.4 113 116 A A E -H 101 0D 0 -75,-0.4 -12,-0.2 -74,-0.4 2,-0.2 -0.568 34.2-129.0 -79.4 144.4 21.1 10.4 25.2 114 117 A K - 0 0 43 -14,-2.7 2,-0.5 -2,-0.2 19,-0.1 -0.536 43.7 -89.8 -71.3 152.8 20.4 14.0 25.0 115 118 A R E S+ G 0 132C 28 17,-0.6 17,-2.9 -2,-0.2 2,-0.3 -0.582 73.2 152.0 -60.6 115.8 17.1 14.9 23.3 116 119 A A E -EG 37 131C 1 -79,-1.5 -79,-2.1 -2,-0.5 2,-0.4 -0.992 35.8-156.3-153.9 155.1 18.2 15.2 19.7 117 120 A V E -EG 36 130C 2 13,-2.7 13,-2.2 -2,-0.3 2,-0.4 -0.999 8.1-178.0-136.0 132.8 17.1 14.8 16.1 118 121 A F E -EG 35 129C 0 -83,-1.9 -83,-2.9 -2,-0.4 2,-0.5 -0.999 13.1-153.8-124.2 133.6 19.1 14.1 13.0 119 122 A V E -EG 34 128C 0 9,-1.9 8,-3.4 -2,-0.4 9,-1.1 -0.938 13.4-165.2-104.7 133.4 17.6 14.0 9.5 120 123 A I E -EG 33 126C 3 -87,-3.2 -87,-2.4 -2,-0.5 6,-0.2 -0.954 11.5-134.7-122.9 129.8 19.5 11.8 7.0 121 124 A D > - 0 0 5 4,-2.5 3,-2.0 -2,-0.4 -90,-0.2 -0.137 36.0 -90.6 -79.2 179.0 18.9 11.9 3.3 122 125 A K T 3 S+ 0 0 79 29,-0.3 -92,-2.2 1,-0.3 -91,-0.2 0.693 127.5 56.3 -66.5 -17.3 18.6 9.0 0.9 123 126 A E T 3 S- 0 0 120 -94,-0.2 -1,-0.3 2,-0.1 -94,-0.1 0.434 121.1-107.5 -91.9 -0.9 22.4 9.1 0.3 124 127 A G S < S+ 0 0 9 -3,-2.0 -114,-3.0 1,-0.3 2,-0.3 0.626 73.0 138.3 86.8 14.1 23.0 8.7 4.1 125 128 A K B -A 9 0A 88 -116,-0.3 -4,-2.5 1,-0.0 2,-0.4 -0.695 59.2-112.0 -95.7 145.5 24.2 12.3 4.7 126 129 A V E +G 120 0C 0 -118,-3.0 -119,-3.2 -121,-0.3 -6,-0.2 -0.593 40.0 166.7 -73.9 127.2 23.2 14.4 7.7 127 130 A R E + 0 0 109 -8,-3.4 2,-0.3 -2,-0.4 -7,-0.2 0.493 63.2 26.4-122.2 -9.1 20.9 17.2 6.5 128 131 A Y E -G 119 0C 18 -9,-1.1 -9,-1.9 -123,-0.1 -1,-0.4 -0.961 60.8-174.7-155.4 140.1 19.5 18.5 9.8 129 132 A K E +G 118 0C 73 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.994 8.3 168.1-141.6 129.3 20.8 18.5 13.4 130 133 A W E +G 117 0C 51 -13,-2.2 -13,-2.7 -2,-0.4 2,-0.4 -0.974 5.8 174.2-140.1 126.8 19.1 19.6 16.6 131 134 A V E -G 116 0C 49 -2,-0.3 2,-0.5 -15,-0.2 -15,-0.2 -0.988 10.8-163.4-136.7 123.5 20.6 18.7 20.0 132 135 A S E -G 115 0C 8 -17,-2.9 -17,-0.6 -2,-0.4 -2,-0.0 -0.931 15.4-163.9-111.5 124.3 19.2 20.0 23.3 133 136 A D S S+ 0 0 112 -2,-0.5 -1,-0.1 -19,-0.1 -17,-0.0 0.812 85.0 74.1 -67.8 -29.9 21.2 19.9 26.5 134 137 A D S > S- 0 0 65 1,-0.1 3,-1.4 -3,-0.1 -1,-0.1 -0.771 77.1-155.4 -84.7 112.9 17.8 20.5 28.3 135 138 A P T 3 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 0.632 84.8 63.0 -71.3 -11.1 16.0 17.2 28.0 136 139 A T T 3 S+ 0 0 108 2,-0.1 2,-0.1 -21,-0.0 -3,-0.0 0.573 79.6 99.0 -89.1 -11.9 12.5 18.8 28.3 137 140 A K < - 0 0 119 -3,-1.4 -5,-0.1 -22,-0.1 -22,-0.0 -0.477 65.4-139.3 -76.4 148.8 12.7 20.9 25.2 138 141 A E - 0 0 85 -2,-0.1 -2,-0.1 1,-0.1 -1,-0.0 -0.821 18.3-112.7-107.8 148.1 11.0 19.6 22.1 139 142 A P - 0 0 7 0, 0.0 2,-1.7 0, 0.0 3,-0.1 -0.291 38.3 -94.1 -73.9 162.6 12.4 19.8 18.6 140 143 A P > - 0 0 46 0, 0.0 4,-2.4 0, 0.0 3,-0.3 -0.566 43.6-176.7 -80.9 88.0 10.8 22.0 15.9 141 144 A Y H > S+ 0 0 43 -2,-1.7 4,-2.7 1,-0.2 5,-0.2 0.835 77.2 55.8 -54.9 -39.2 8.6 19.3 14.3 142 145 A D H > S+ 0 0 103 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.928 110.0 44.6 -63.9 -45.7 7.4 21.6 11.6 143 146 A E H > S+ 0 0 100 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.926 112.5 53.1 -62.4 -45.3 10.9 22.5 10.4 144 147 A I H X S+ 0 0 1 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.932 109.1 48.7 -55.3 -46.1 11.9 18.8 10.6 145 148 A E H X S+ 0 0 54 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.877 110.2 51.5 -67.2 -33.1 8.9 17.8 8.4 146 149 A K H X S+ 0 0 129 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.895 109.7 49.6 -67.9 -39.8 9.8 20.5 5.9 147 150 A V H X S+ 0 0 27 -4,-2.6 4,-1.1 2,-0.2 -2,-0.2 0.962 110.4 50.7 -60.0 -49.5 13.4 19.2 5.7 148 151 A V H >< S+ 0 0 2 -4,-2.8 3,-0.8 1,-0.2 4,-0.4 0.917 108.5 52.9 -53.4 -44.9 12.1 15.7 5.2 149 152 A K H >< S+ 0 0 167 -4,-2.3 3,-1.5 1,-0.3 -1,-0.2 0.913 105.3 53.0 -57.8 -44.9 9.8 17.0 2.4 150 153 A S H 3< S+ 0 0 88 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.722 111.1 48.1 -64.3 -21.5 12.8 18.6 0.6 151 154 A L T << 0 0 16 -4,-1.1 -29,-0.3 -3,-0.8 -1,-0.3 0.374 360.0 360.0 -97.9 -0.0 14.6 15.2 0.7 152 155 A S < 0 0 94 -3,-1.5 -1,-0.2 -4,-0.4 -2,-0.2 0.426 360.0 360.0 -98.2 360.0 11.7 13.2 -0.5