==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-SEP-04 1XCC . COMPND 2 MOLECULE: 1-CYS PEROXIREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM YOELII; . AUTHOR M.VEDADI,S.SHARMA,S.HOUSTON,J.LEW,G.WASNEY,M.AMANI,X.XU, . 871 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 37577.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 557 63.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 143 16.4 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 . 12 1.4 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 . 58 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 84 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 192 22.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 1.4 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 5 5 0 0 0 0 0 4 0 2 2 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 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 PARALLEL BRIDGES PER LADDER . 8 17 5 4 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 ANTIPARALLEL BRIDGES PER LADDER . 8 4 4 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 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 53 0, 0.0 2,-0.7 0, 0.0 110,-0.1 0.000 360.0 360.0 360.0 -93.3 44.2 67.8 2.9 2 3 A Y + 0 0 65 108,-0.3 3,-0.1 4,-0.1 6,-0.0 -0.781 360.0 176.2-115.3 84.1 43.2 64.7 5.1 3 4 A H > - 0 0 94 -2,-0.7 3,-1.7 1,-0.2 136,-0.3 -0.047 46.0 -60.3 -81.0 176.9 45.9 63.7 7.7 4 5 A L T 3 S+ 0 0 6 547,-0.4 136,-0.2 545,-0.3 -1,-0.2 -0.374 123.1 18.3 -71.9 136.1 45.7 61.0 10.3 5 6 A G T 3 S+ 0 0 16 134,-3.5 -1,-0.3 1,-0.4 135,-0.1 0.261 92.6 128.9 91.5 -15.4 42.9 61.5 12.8 6 7 A A < - 0 0 15 -3,-1.7 133,-2.8 133,-0.2 2,-0.4 -0.317 68.1-102.1 -67.4 157.8 41.0 63.9 10.6 7 8 A T B -A 138 0A 69 131,-0.2 131,-0.2 -3,-0.1 130,-0.1 -0.698 30.5-125.3 -85.4 131.2 37.3 63.2 10.0 8 9 A F - 0 0 1 129,-3.9 2,-0.1 -2,-0.4 -1,-0.0 -0.678 33.7-118.4 -78.3 125.9 36.6 61.7 6.6 9 10 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 15,-0.1 -0.338 19.6-118.9 -70.9 142.5 34.0 63.9 4.9 10 11 A N + 0 0 56 14,-0.1 2,-0.3 -2,-0.1 13,-0.0 -0.335 39.2 172.2 -65.0 153.1 30.5 62.6 3.9 11 12 A F - 0 0 19 2,-0.0 13,-2.6 -2,-0.0 2,-0.4 -0.977 25.0-142.7-155.0 162.3 29.7 62.7 0.2 12 13 A T E +B 23 0B 81 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.990 33.0 147.1-129.5 146.9 27.0 61.5 -2.1 13 14 A A E -B 22 0B 12 9,-2.3 9,-3.5 -2,-0.4 2,-0.2 -0.949 49.1 -83.4-160.4 166.6 27.6 60.2 -5.6 14 15 A K - 0 0 100 86,-0.4 86,-2.2 -2,-0.3 2,-0.3 -0.509 50.2-176.3 -74.1 160.1 26.6 57.8 -8.3 15 16 A A B > -C 99 0C 0 3,-0.5 3,-0.7 5,-0.3 84,-0.2 -0.984 28.9 -85.9-155.0 157.5 28.0 54.3 -8.0 16 17 A S T 3 S+ 0 0 5 82,-2.0 82,-0.1 -2,-0.3 60,-0.1 -0.337 103.8 17.4 -62.0 144.8 28.1 50.9 -9.7 17 18 A G T 3 S+ 0 0 64 58,-0.2 2,-0.3 80,-0.1 -1,-0.2 0.160 110.4 77.5 84.2 -18.0 25.2 48.3 -9.2 18 19 A I < - 0 0 76 -3,-0.7 -3,-0.5 2,-0.1 4,-0.1 -0.951 60.9-155.1-121.6 149.6 22.6 50.8 -7.8 19 20 A D S S+ 0 0 80 -2,-0.3 2,-0.1 -5,-0.1 -1,-0.1 0.643 75.6 74.2 -98.4 -17.6 20.5 53.3 -9.7 20 21 A G S S- 0 0 44 1,-0.1 -5,-0.3 -6,-0.0 -2,-0.1 -0.310 97.8 -76.3 -81.0 172.7 20.0 55.6 -6.7 21 22 A D - 0 0 102 -7,-0.1 2,-0.6 -2,-0.1 -7,-0.2 -0.428 41.0-135.5 -63.6 139.2 22.5 58.1 -5.0 22 23 A F E -B 13 0B 11 -9,-3.5 -9,-2.3 -2,-0.1 2,-0.5 -0.900 16.6-163.8 -98.7 123.0 25.2 56.5 -2.8 23 24 A E E > -B 12 0B 62 -2,-0.6 4,-1.9 -11,-0.2 -11,-0.2 -0.957 11.2-148.4-107.8 122.4 25.7 58.4 0.5 24 25 A L H > S+ 0 0 0 -13,-2.6 4,-1.7 -2,-0.5 3,-0.2 0.899 93.2 47.8 -55.5 -53.0 28.9 57.5 2.2 25 26 A Y H 4 S+ 0 0 60 -14,-0.3 4,-0.4 1,-0.2 -1,-0.2 0.872 111.1 53.4 -65.1 -35.8 27.8 58.0 5.9 26 27 A K H >4 S+ 0 0 155 1,-0.2 3,-0.8 2,-0.2 -1,-0.2 0.908 110.7 45.1 -53.1 -52.7 24.7 55.9 5.3 27 28 A Y H 3< S+ 0 0 71 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.808 120.0 39.1 -68.7 -30.1 26.6 53.0 3.9 28 29 A I T >< S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.2 -1,-0.2 0.194 76.5 144.3-109.7 17.1 29.3 52.9 6.5 29 30 A E T < S+ 0 0 123 -3,-0.8 3,-0.1 -4,-0.4 107,-0.1 -0.382 81.3 0.3 -62.3 130.2 27.3 53.7 9.7 30 31 A N T 3 S+ 0 0 120 105,-0.6 2,-0.4 1,-0.2 -1,-0.3 0.811 117.8 111.1 61.0 31.6 28.7 51.7 12.7 31 32 A S S < S- 0 0 4 -3,-1.7 106,-0.2 104,-0.3 -1,-0.2 -0.996 72.3-122.6-140.2 142.5 31.4 50.2 10.4 32 33 A W E -e 65 0D 14 32,-1.6 34,-2.4 -2,-0.4 2,-0.3 -0.372 41.1-164.5 -60.8 151.3 35.0 50.2 9.6 33 34 A A E -eF 66 133D 1 100,-2.6 100,-3.3 32,-0.2 2,-0.5 -0.990 22.5-158.2-147.8 145.0 35.5 51.3 6.0 34 35 A I E -eF 67 132D 2 32,-3.1 34,-2.7 -2,-0.3 2,-0.5 -0.970 11.0-166.4-122.0 117.2 38.3 51.1 3.4 35 36 A L E +eF 68 131D 0 96,-1.9 96,-2.7 -2,-0.5 2,-0.4 -0.875 14.2 177.5-101.6 124.0 37.9 53.6 0.5 36 37 A F E - F 0 130D 1 32,-2.6 34,-0.5 -2,-0.5 2,-0.3 -0.979 12.2-156.4-132.3 136.0 40.3 52.8 -2.4 37 38 A S - 0 0 0 92,-1.3 34,-0.2 -2,-0.4 32,-0.0 -0.743 3.5-164.6-108.3 160.4 40.6 54.5 -5.7 38 39 A H - 0 0 0 32,-2.2 88,-0.4 -2,-0.3 34,-0.3 -0.972 24.2-125.3-135.3 151.2 41.9 53.3 -9.0 39 40 A P S S+ 0 0 4 0, 0.0 33,-0.5 0, 0.0 87,-0.4 0.969 79.7 0.8 -60.8 -54.9 42.9 55.4 -12.1 40 41 A N > - 0 0 32 85,-0.1 3,-0.6 31,-0.1 6,-0.2 -0.994 62.8-121.3-145.2 135.3 40.9 54.0 -15.0 41 42 A D T 3 S+ 0 0 3 -2,-0.3 37,-0.1 1,-0.2 5,-0.0 -0.268 97.6 31.8 -58.3 155.7 38.2 51.4 -15.7 42 43 A F T 3 S+ 0 0 22 1,-0.2 -1,-0.2 35,-0.1 609,-0.1 0.818 89.4 120.3 64.9 35.6 39.3 48.8 -18.4 43 44 A T <> - 0 0 16 -3,-0.6 4,-1.6 1,-0.1 -1,-0.2 -0.940 66.8-119.2-131.9 155.1 43.0 48.9 -17.6 44 45 A P H > S+ 0 0 4 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.832 104.2 44.2 -69.4 -44.6 45.1 45.8 -16.5 45 46 A V H > S+ 0 0 3 1,-0.2 4,-2.4 2,-0.2 568,-0.4 0.924 115.0 52.0 -65.7 -44.1 46.6 46.6 -13.0 46 47 A C H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.869 108.0 52.2 -57.5 -42.9 43.2 47.9 -11.9 47 48 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -1,-0.2 0.889 110.0 47.8 -64.5 -41.7 41.4 44.7 -13.1 48 49 A T H X S+ 0 0 4 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.899 113.6 47.9 -66.9 -41.4 43.8 42.5 -11.2 49 50 A E H X S+ 0 0 4 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.927 114.0 45.5 -61.7 -53.1 43.4 44.6 -8.0 50 51 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.910 111.0 52.8 -59.8 -44.4 39.6 44.7 -8.1 51 52 A A H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.927 111.8 47.9 -51.2 -47.6 39.4 40.9 -8.9 52 53 A E H X S+ 0 0 44 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.920 112.4 46.3 -64.6 -46.4 41.5 40.3 -5.8 53 54 A L H < S+ 0 0 5 -4,-2.4 4,-0.4 1,-0.2 -1,-0.2 0.860 110.0 55.6 -65.4 -33.3 39.5 42.6 -3.5 54 55 A G H >< S+ 0 0 16 -4,-2.5 3,-1.0 1,-0.2 4,-0.3 0.921 108.6 46.9 -63.0 -45.4 36.3 41.0 -4.9 55 56 A K H 3< S+ 0 0 110 -4,-2.5 3,-0.3 1,-0.2 -1,-0.2 0.789 115.9 46.7 -59.9 -32.2 37.7 37.5 -3.9 56 57 A M T 3X S+ 0 0 11 -4,-1.6 4,-1.7 1,-0.2 3,-0.4 0.395 80.7 104.4 -90.7 -2.5 38.6 39.0 -0.5 57 58 A H H <> S+ 0 0 17 -3,-1.0 4,-2.4 -4,-0.4 -1,-0.2 0.862 79.8 50.3 -54.2 -46.3 35.2 40.8 0.1 58 59 A E H > S+ 0 0 144 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.858 105.1 58.4 -53.8 -44.6 33.9 38.1 2.6 59 60 A D H 4 S+ 0 0 66 -3,-0.4 4,-0.5 -4,-0.2 -2,-0.2 0.917 112.6 41.3 -48.6 -47.0 37.3 38.4 4.6 60 61 A F H ><>S+ 0 0 0 -4,-1.7 5,-1.9 2,-0.2 3,-0.9 0.884 112.4 51.7 -72.7 -41.9 36.5 42.1 5.0 61 62 A L H ><5S+ 0 0 76 -4,-2.4 3,-1.7 1,-0.3 -2,-0.2 0.875 103.2 59.2 -65.2 -40.0 32.7 41.8 5.7 62 63 A K T 3<5S+ 0 0 191 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.695 104.4 52.7 -51.5 -28.8 33.4 39.3 8.5 63 64 A L T < 5S- 0 0 46 -3,-0.9 -1,-0.3 -4,-0.5 -31,-0.2 0.189 122.0-109.3 -95.9 9.5 35.5 42.0 10.2 64 65 A N T < 5S+ 0 0 85 -3,-1.7 -32,-1.6 1,-0.2 2,-0.5 0.884 74.4 140.5 65.7 40.4 32.6 44.4 9.9 65 66 A C E < -e 32 0D 0 -5,-1.9 2,-0.2 -34,-0.2 -32,-0.2 -0.966 43.3-146.4-126.5 120.5 34.5 46.4 7.2 66 67 A K E -e 33 0D 53 -34,-2.4 -32,-3.1 -2,-0.5 2,-0.5 -0.547 8.6-149.5 -79.8 135.9 33.0 48.0 4.2 67 68 A L E -e 34 0D 0 -2,-0.2 2,-0.4 -34,-0.2 -32,-0.2 -0.951 16.1-175.0-104.3 130.3 35.1 48.2 0.9 68 69 A I E -e 35 0D 0 -34,-2.7 -32,-2.6 -2,-0.5 30,-0.2 -0.980 8.1-155.4-130.5 124.3 34.3 51.2 -1.3 69 70 A G E -d 98 0C 0 28,-3.0 30,-3.0 -2,-0.4 2,-0.3 -0.444 10.9-172.4 -92.5 173.2 35.8 51.8 -4.7 70 71 A F E +d 99 0C 0 -34,-0.5 -32,-2.2 28,-0.3 2,-0.3 -0.932 13.7 151.5-168.8 125.3 36.3 55.1 -6.5 71 72 A S E -d 100 0C 0 28,-1.5 30,-1.7 -2,-0.3 -31,-0.1 -0.955 52.4-109.5-148.2 170.4 37.4 56.4 -10.0 72 73 A C S S+ 0 0 3 -33,-0.5 2,-0.1 -34,-0.3 28,-0.1 0.242 84.8 108.5 -82.7 14.1 36.7 59.4 -12.2 73 74 A N S S- 0 0 20 26,-0.2 28,-0.3 1,-0.1 -2,-0.2 -0.465 73.4-104.0 -83.9 158.4 34.7 57.0 -14.7 74 75 A S > - 0 0 15 -2,-0.1 4,-1.8 26,-0.1 -1,-0.1 -0.268 30.7-106.9 -74.4 169.4 30.9 57.0 -15.2 75 76 A K H > S+ 0 0 19 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.858 119.4 57.1 -58.2 -39.7 28.5 54.4 -13.8 76 77 A E H > S+ 0 0 22 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.887 107.2 48.4 -67.4 -39.9 28.0 52.9 -17.2 77 78 A S H > S+ 0 0 9 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 112.6 48.9 -59.0 -48.5 31.7 52.3 -17.5 78 79 A H H X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 -2,-0.2 0.936 110.1 50.3 -57.2 -53.6 31.9 50.7 -14.0 79 80 A D H X S+ 0 0 55 -4,-3.4 4,-0.6 1,-0.2 -1,-0.2 0.838 114.3 43.5 -58.4 -39.8 29.0 48.4 -14.6 80 81 A K H >X S+ 0 0 80 -4,-1.4 3,-0.8 -5,-0.2 4,-0.6 0.890 113.3 49.8 -72.7 -44.7 30.4 47.1 -17.8 81 82 A W H >X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 3,-0.5 0.784 97.5 71.2 -65.4 -29.8 34.0 46.7 -16.6 82 83 A I H 3X S+ 0 0 9 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.868 94.3 54.6 -50.4 -37.5 32.6 44.8 -13.5 83 84 A E H S+ 0 0 40 -4,-2.5 5,-2.5 2,-0.2 4,-1.3 0.927 111.8 48.5 -66.7 -44.1 34.3 39.1 -12.7 87 88 A Y H ><5S+ 0 0 108 -4,-2.0 3,-0.6 2,-0.2 -2,-0.2 0.944 113.0 46.4 -57.7 -51.5 35.6 37.1 -15.6 88 89 A Y H 3<5S+ 0 0 73 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.864 120.8 39.1 -60.0 -41.9 39.2 37.7 -14.7 89 90 A G H 3<5S- 0 0 6 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.555 107.5-122.0 -86.8 -6.2 38.6 36.8 -11.0 90 91 A K T <<5 + 0 0 144 -4,-1.3 2,-0.3 -3,-0.6 -3,-0.2 0.918 57.8 158.3 62.7 43.7 36.1 33.9 -11.8 91 92 A L < - 0 0 37 -5,-2.5 -1,-0.2 -6,-0.1 3,-0.1 -0.704 40.6-159.0 -99.5 154.3 33.5 35.6 -9.7 92 93 A N S S+ 0 0 155 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.445 76.5 13.2-110.8 -7.5 29.7 35.1 -10.0 93 94 A K - 0 0 137 -7,-0.1 2,-0.4 -39,-0.0 -1,-0.1 -0.968 63.4-137.6-160.0 168.3 28.6 38.4 -8.4 94 95 A W + 0 0 36 -2,-0.3 -12,-0.0 1,-0.1 -11,-0.0 -0.987 22.7 163.4-141.1 131.4 29.9 41.8 -7.4 95 96 A E + 0 0 119 -2,-0.4 -1,-0.1 -41,-0.1 -41,-0.0 0.467 42.2 104.2-131.5 -0.8 29.1 43.7 -4.3 96 97 A I - 0 0 2 -30,-0.1 2,-0.2 -28,-0.0 -28,-0.1 -0.753 68.6-131.7 -78.7 114.2 31.7 46.4 -3.8 97 98 A P - 0 0 15 0, 0.0 -28,-3.0 0, 0.0 2,-0.6 -0.519 16.7-156.8 -65.3 133.2 30.1 49.8 -4.7 98 99 A I E - d 0 69C 0 -2,-0.2 -82,-2.0 -30,-0.2 -28,-0.3 -0.975 15.2-143.4-110.0 113.1 32.5 51.7 -7.0 99 100 A V E -Cd 15 70C 0 -30,-3.0 -28,-1.5 -2,-0.6 2,-0.4 -0.336 6.7-129.8 -80.0 162.2 31.7 55.4 -6.8 100 101 A C E + d 0 71C 10 -86,-2.2 -86,-0.4 -30,-0.2 -28,-0.2 -0.923 26.3 171.6-114.9 132.5 31.9 57.9 -9.7 101 102 A D > + 0 0 7 -30,-1.7 3,-1.7 -2,-0.4 6,-0.2 -0.426 18.0 152.5-131.8 57.3 33.7 61.2 -9.7 102 103 A E T 3 S+ 0 0 46 1,-0.3 -1,-0.1 -29,-0.2 -30,-0.1 0.836 74.1 52.6 -62.1 -31.9 33.5 62.3 -13.3 103 104 A S T 3 S- 0 0 40 -3,-0.1 -1,-0.3 1,-0.1 -31,-0.1 0.651 104.7-129.7 -76.2 -14.6 33.6 65.9 -12.5 104 105 A R S <> S+ 0 0 12 -3,-1.7 4,-1.5 4,-0.0 5,-0.2 0.584 70.5 126.5 70.6 15.8 36.8 65.4 -10.4 105 106 A E H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.961 74.1 41.5 -68.8 -50.3 35.3 67.3 -7.5 106 107 A L H > S+ 0 0 25 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.853 113.9 51.9 -64.0 -39.9 35.9 64.5 -4.9 107 108 A A H >>S+ 0 0 0 2,-0.2 5,-1.4 1,-0.2 4,-0.9 0.822 110.9 47.5 -71.4 -31.3 39.4 63.7 -6.2 108 109 A N H <5S+ 0 0 100 -4,-1.5 -2,-0.2 2,-0.2 -1,-0.2 0.897 115.1 46.9 -72.6 -42.6 40.5 67.3 -6.0 109 110 A K H <5S+ 0 0 105 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.923 116.2 42.9 -58.0 -51.3 39.0 67.6 -2.5 110 111 A L H <5S- 0 0 8 -4,-3.0 -108,-0.3 -5,-0.1 -1,-0.2 0.655 104.4-132.2 -70.4 -14.2 40.6 64.3 -1.3 111 112 A K T <5 + 0 0 118 -4,-0.9 331,-0.3 -5,-0.2 -3,-0.2 0.812 62.8 135.2 60.2 38.5 43.9 65.2 -3.1 112 113 A I < + 0 0 0 -5,-1.4 15,-2.6 -6,-0.2 -4,-0.1 0.141 21.1 138.9-101.7 22.8 44.2 61.8 -4.7 113 114 A M E -L 126 0E 34 -6,-0.5 329,-0.4 13,-0.3 13,-0.3 -0.329 53.7-120.2 -67.6 142.6 45.1 62.8 -8.3 114 115 A D E - 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