==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 21-APR-02 1LJL . COMPND 2 MOLECULE: ARSENATE REDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.MESSENS,J.C.MARTINS,K.VAN BELLE,E.BROSENS,A.DESMYTER,M.DE . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 93 71.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 19 14.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 1 0.8 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 . 13 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 31.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.8 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 1 0 1 0 0 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 2 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 PARALLEL BRIDGES PER LADDER . 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 D 0 0 214 0, 0.0 2,-0.1 0, 0.0 29,-0.0 0.000 360.0 360.0 360.0 -86.7 3.4 6.3 18.4 2 3 A K - 0 0 92 1,-0.1 29,-0.2 29,-0.1 2,-0.1 -0.397 360.0-141.2 -70.3 137.6 4.3 4.5 21.7 3 4 A K E -a 31 0A 106 27,-2.7 29,-2.7 -2,-0.1 2,-0.4 -0.395 12.8-126.2 -91.1 173.4 5.6 6.6 24.5 4 5 A T E -a 32 0A 13 27,-0.2 71,-2.8 69,-0.1 72,-1.7 -0.984 17.9-172.4-132.9 128.4 8.4 5.7 27.0 5 6 A I E -ab 33 76A 0 27,-2.4 29,-1.9 -2,-0.4 2,-0.5 -0.943 8.2-160.2-115.8 139.3 8.5 5.6 30.8 6 7 A Y E -ab 34 77A 3 70,-2.4 72,-3.0 -2,-0.4 2,-0.5 -0.923 3.6-157.7-127.0 107.7 11.7 5.0 32.8 7 8 A F E -ab 35 78A 1 27,-2.4 29,-1.9 -2,-0.5 2,-0.4 -0.716 13.5-170.4 -88.3 121.7 11.5 3.8 36.4 8 9 A I E +ab 36 79A 0 70,-3.4 72,-3.4 -2,-0.5 73,-0.4 -0.951 16.3 159.6-120.1 127.1 14.7 4.5 38.5 9 10 A C > - 0 0 1 27,-1.5 3,-0.9 -2,-0.4 29,-0.3 -0.923 54.9 -93.5-133.4 157.3 15.6 3.3 42.0 10 11 A T T 3 S+ 0 0 20 -2,-0.3 29,-2.7 1,-0.2 28,-0.8 0.854 118.0 14.6 -37.9 -59.2 19.1 3.1 43.5 11 12 A G T 3 S- 0 0 2 26,-0.2 30,-3.0 27,-0.2 31,-0.6 0.295 95.3-118.9-107.6 13.1 20.1 -0.4 42.6 12 13 A N S < S+ 0 0 0 -3,-0.9 30,-0.1 24,-0.4 25,-0.1 0.921 83.8 114.1 48.4 47.7 17.4 -1.4 40.0 13 14 A S S S- 0 0 19 30,-0.1 31,-1.4 23,-0.1 34,-0.2 0.823 77.3 -7.8-110.8 -58.1 16.4 -4.1 42.5 14 15 A C S > S+ 0 0 2 29,-0.1 4,-2.0 3,-0.1 5,-0.2 0.763 125.5 36.4-112.5 -71.7 13.0 -3.9 44.1 15 16 A R H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.889 121.3 43.0 -57.5 -48.8 10.9 -0.7 43.5 16 17 A S H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.801 113.9 52.6 -70.4 -29.8 11.9 -0.1 39.9 17 18 A Q H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.863 112.1 43.9 -72.9 -38.6 11.6 -3.8 39.0 18 19 A M H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.901 113.1 53.1 -72.6 -36.9 8.1 -4.1 40.4 19 20 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.842 108.5 49.7 -66.4 -34.3 7.1 -0.8 38.7 20 21 A E H X S+ 0 0 24 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.872 111.6 49.1 -70.7 -40.4 8.4 -2.2 35.4 21 22 A G H X S+ 0 0 2 -4,-1.5 4,-0.7 2,-0.2 -2,-0.2 0.925 116.4 41.0 -64.6 -46.1 6.3 -5.3 35.9 22 23 A W H X S+ 0 0 13 -4,-2.8 4,-3.0 1,-0.2 3,-0.4 0.879 114.6 54.3 -68.4 -39.8 3.1 -3.4 36.8 23 24 A G H X S+ 0 0 0 -4,-2.5 4,-2.1 -5,-0.2 5,-0.3 0.880 103.3 53.7 -62.2 -44.1 3.9 -0.8 34.0 24 25 A K H < S+ 0 0 96 -4,-2.2 -1,-0.2 3,-0.2 -2,-0.2 0.726 117.9 38.6 -62.7 -26.9 4.2 -3.5 31.3 25 26 A E H < S+ 0 0 125 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.902 124.9 33.0 -89.2 -51.7 0.7 -4.8 32.3 26 27 A I H < S+ 0 0 37 -4,-3.0 3,-0.3 1,-0.2 -3,-0.2 0.899 133.6 27.5 -74.9 -44.2 -1.2 -1.6 33.1 27 28 A L S >X S+ 0 0 0 -4,-2.1 3,-0.8 -5,-0.4 4,-0.6 0.363 86.0 114.8-101.5 3.7 0.4 0.8 30.6 28 29 A G T 34 + 0 0 25 -5,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.600 60.6 72.1 -50.4 -21.1 1.4 -1.8 27.9 29 30 A E T 34 S+ 0 0 173 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.934 121.3 3.0 -63.9 -54.0 -1.0 -0.5 25.2 30 31 A G T <4 S+ 0 0 31 -3,-0.8 -27,-2.7 -28,-0.1 2,-0.4 0.017 116.3 87.4-124.9 25.8 0.9 2.7 24.3 31 32 A W E < -a 3 0A 53 -4,-0.6 2,-0.5 -29,-0.2 -27,-0.2 -0.989 55.6-152.7-134.9 139.7 4.0 2.5 26.5 32 33 A N E -a 4 0A 54 -29,-2.7 -27,-2.4 -2,-0.4 2,-0.5 -0.914 28.9-156.6-101.4 123.9 7.5 1.1 26.4 33 34 A V E +a 5 0A 13 -2,-0.5 2,-0.3 -29,-0.2 -27,-0.2 -0.942 19.5 163.6-113.8 130.6 8.5 0.4 30.0 34 35 A Y E -a 6 0A 99 -29,-1.9 -27,-2.4 -2,-0.5 2,-0.3 -0.900 17.7-153.5-136.1 163.7 12.1 0.2 31.2 35 36 A S E +a 7 0A 8 -2,-0.3 2,-0.3 -29,-0.2 -27,-0.2 -0.989 18.8 155.1-142.3 149.0 14.0 0.3 34.5 36 37 A A E -a 8 0A 0 -29,-1.9 -27,-1.5 -2,-0.3 -24,-0.4 -0.885 18.0-148.2-155.3 180.0 17.5 1.2 35.7 37 38 A G B -d 65 0B 1 27,-1.0 29,-1.3 -2,-0.3 -27,-0.2 -0.966 33.1-109.9-153.9 170.5 19.5 2.5 38.6 38 39 A I S S+ 0 0 57 -28,-0.8 2,-0.2 -29,-0.3 -27,-0.2 0.818 110.7 10.7 -70.6 -35.8 22.5 4.5 39.8 39 40 A E S S- 0 0 94 -29,-2.7 2,-0.5 -30,-0.2 -30,-0.1 -0.775 85.5-112.2-133.2 168.9 24.2 1.2 40.8 40 41 A T + 0 0 78 -2,-0.2 -28,-0.2 1,-0.1 -29,-0.1 -0.966 34.2 165.8-112.9 116.0 23.3 -2.4 40.1 41 42 A H - 0 0 107 -30,-3.0 -29,-0.1 -2,-0.5 -1,-0.1 0.492 52.6-107.9-104.6 -3.9 22.2 -4.5 43.1 42 43 A G - 0 0 34 -31,-0.6 2,-0.6 -30,-0.1 -1,-0.2 -0.045 46.2 -62.3 92.0 155.2 20.7 -7.4 41.1 43 44 A V - 0 0 34 18,-0.2 -30,-0.1 20,-0.1 -29,-0.1 -0.700 60.8-121.4 -77.6 118.1 17.0 -8.3 40.7 44 45 A N >> - 0 0 39 -31,-1.4 4,-1.6 -2,-0.6 3,-1.0 -0.459 8.3-142.1 -64.1 123.2 15.8 -9.0 44.3 45 46 A P H 3> S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.805 104.7 57.1 -55.1 -30.5 14.4 -12.6 44.6 46 47 A K H 3> S+ 0 0 91 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.797 103.7 52.0 -71.0 -31.5 11.7 -11.2 46.9 47 48 A A H <> S+ 0 0 0 -3,-1.0 4,-1.8 2,-0.2 -1,-0.2 0.890 110.0 48.6 -71.8 -37.9 10.6 -8.8 44.1 48 49 A I H X S+ 0 0 51 -4,-1.6 4,-1.6 2,-0.2 10,-0.3 0.897 115.1 44.9 -66.5 -41.4 10.3 -11.7 41.7 49 50 A E H X S+ 0 0 93 -4,-2.1 4,-1.4 2,-0.2 -2,-0.2 0.860 110.2 55.0 -70.0 -38.9 8.2 -13.6 44.3 50 51 A A H < S+ 0 0 0 -4,-2.2 4,-0.5 1,-0.2 -2,-0.2 0.864 112.8 42.5 -64.2 -36.4 6.1 -10.5 45.1 51 52 A M H ><>S+ 0 0 0 -4,-1.8 5,-2.7 1,-0.2 3,-0.6 0.809 106.7 60.4 -81.0 -29.2 5.2 -10.1 41.4 52 53 A K H ><5S+ 0 0 155 -4,-1.6 3,-1.3 1,-0.2 -2,-0.2 0.819 98.5 60.8 -65.6 -30.6 4.6 -13.9 41.0 53 54 A E T 3<5S+ 0 0 88 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.788 106.6 44.3 -65.5 -32.0 1.9 -13.6 43.7 54 55 A V T < 5S- 0 0 40 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.086 123.1-106.7-101.2 21.6 -0.0 -11.1 41.4 55 56 A D T < 5S+ 0 0 147 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.786 79.0 130.5 58.1 33.7 0.5 -13.3 38.4 56 57 A I < - 0 0 13 -5,-2.7 2,-0.7 -8,-0.1 -2,-0.2 -0.979 49.8-144.5-117.5 120.5 3.2 -11.0 36.8 57 58 A D + 0 0 110 -2,-0.5 3,-0.1 1,-0.1 -8,-0.1 -0.769 34.1 155.4 -90.4 111.5 6.4 -12.7 35.6 58 59 A I > + 0 0 1 -2,-0.7 3,-1.6 -10,-0.3 -1,-0.1 0.126 40.2 111.6-117.1 19.0 9.5 -10.5 36.1 59 60 A S T 3 S+ 0 0 72 1,-0.3 -1,-0.1 -11,-0.1 -16,-0.1 0.697 75.5 54.1 -66.1 -21.7 12.0 -13.4 36.3 60 61 A N T 3 S+ 0 0 116 -3,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.247 85.3 114.2 -96.0 7.7 13.6 -12.4 33.0 61 62 A H < - 0 0 18 -3,-1.6 2,-0.3 1,-0.0 -18,-0.2 -0.428 54.0-148.2 -76.6 155.0 14.2 -8.8 34.1 62 63 A T - 0 0 83 -2,-0.1 2,-0.8 -27,-0.1 -27,-0.1 -0.884 15.8-120.1-125.9 155.7 17.8 -7.5 34.6 63 64 A S + 0 0 24 -2,-0.3 2,-0.3 -20,-0.1 -51,-0.1 -0.887 46.2 172.8 -97.8 110.1 19.4 -5.0 36.9 64 65 A D - 0 0 74 -2,-0.8 -27,-1.0 -29,-0.2 2,-0.2 -0.842 32.5-117.9-122.9 156.9 20.9 -2.4 34.7 65 66 A L B -d 37 0B 102 -2,-0.3 -27,-0.2 -29,-0.2 -30,-0.1 -0.488 55.1 -75.6 -81.6 162.1 22.6 1.0 35.0 66 67 A I - 0 0 34 -29,-1.3 2,-0.5 -2,-0.2 -1,-0.1 -0.333 46.8-146.8 -63.0 132.3 21.0 4.1 33.5 67 68 A D > - 0 0 71 1,-0.1 4,-2.2 -3,-0.1 3,-0.2 -0.935 8.0-146.0-108.1 128.7 21.4 4.3 29.7 68 69 A N H > S+ 0 0 116 -2,-0.5 4,-1.6 1,-0.2 -1,-0.1 0.767 99.4 52.7 -62.7 -29.7 21.8 7.7 28.0 69 70 A D H > S+ 0 0 102 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.840 109.3 47.7 -77.5 -34.5 19.9 6.6 24.9 70 71 A I H > S+ 0 0 46 -3,-0.2 4,-0.5 2,-0.2 -2,-0.2 0.911 112.6 51.2 -70.9 -36.7 16.9 5.3 26.9 71 72 A L H >< S+ 0 0 4 -4,-2.2 3,-0.8 1,-0.2 -2,-0.2 0.875 107.3 53.6 -62.3 -42.3 17.0 8.6 28.8 72 73 A K H 3< S+ 0 0 111 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.812 113.7 41.5 -61.0 -37.8 17.0 10.5 25.5 73 74 A Q H 3< S+ 0 0 127 -4,-1.3 -1,-0.2 -3,-0.2 -2,-0.2 0.385 90.5 115.9 -95.1 2.6 13.9 8.7 24.3 74 75 A S << - 0 0 2 -3,-0.8 -69,-0.2 -4,-0.5 3,-0.2 -0.492 44.5-169.3 -78.6 138.3 12.0 8.9 27.6 75 76 A D S S+ 0 0 69 -71,-2.8 21,-1.1 1,-0.4 2,-0.3 0.726 85.0 15.4 -91.2 -30.8 8.7 10.9 27.9 76 77 A L E -bc 5 96A 9 -72,-1.7 -70,-2.4 19,-0.1 2,-0.5 -0.974 62.5-162.7-148.7 127.8 8.8 10.4 31.6 77 78 A V E -bc 6 97A 0 19,-2.3 21,-2.3 -2,-0.3 2,-0.5 -0.956 17.2-161.8-107.8 123.2 11.6 9.4 34.0 78 79 A V E -bc 7 98A 0 -72,-3.0 -70,-3.4 -2,-0.5 2,-0.4 -0.949 4.6-156.1-112.4 120.3 10.2 8.3 37.3 79 80 A T E -bc 8 99A 0 19,-2.4 21,-2.8 -2,-0.5 -70,-0.2 -0.788 5.2-169.5 -94.5 132.2 12.5 8.2 40.4 80 81 A L + 0 0 0 -72,-3.4 22,-1.4 -2,-0.4 2,-0.3 0.417 65.3 35.7-101.5 -2.1 11.3 5.8 43.1 81 82 A C S > S- 0 0 5 -73,-0.4 4,-1.8 20,-0.2 5,-0.1 -0.975 79.8-111.9-149.2 156.8 13.6 6.7 46.0 82 83 A S H > S+ 0 0 70 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.869 115.1 50.8 -54.8 -45.0 15.4 9.8 47.4 83 84 A D H > S+ 0 0 92 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.920 111.5 47.7 -62.7 -43.5 18.9 8.7 46.4 84 85 A A H 4 S+ 0 0 0 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.830 111.7 52.0 -66.8 -33.1 17.9 8.0 42.8 85 86 A D H < S+ 0 0 42 -4,-1.8 3,-0.5 1,-0.2 -2,-0.2 0.913 114.5 40.4 -69.4 -44.4 16.2 11.4 42.7 86 87 A N H < S+ 0 0 117 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.757 121.0 41.9 -77.6 -28.2 19.2 13.3 43.9 87 88 A N S < S+ 0 0 106 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.232 80.3 126.8-105.4 11.1 21.8 11.4 41.9 88 89 A C - 0 0 17 -3,-0.5 3,-0.1 -4,-0.3 -3,-0.0 -0.521 66.0-109.6 -69.2 131.6 19.8 11.1 38.6 89 90 A P - 0 0 50 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.058 45.8 -72.0 -59.6 164.9 22.0 12.4 35.7 90 91 A I - 0 0 167 1,-0.1 0, 0.0 3,-0.0 0, 0.0 -0.466 60.1-138.4 -61.9 116.5 21.4 15.7 33.8 91 92 A L - 0 0 37 -2,-0.3 -19,-0.1 -3,-0.1 -1,-0.1 -0.512 18.3 -98.5 -82.7 149.0 18.3 14.9 31.8 92 93 A P > - 0 0 29 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 -0.372 40.8-112.1 -61.8 145.7 17.7 15.9 28.1 93 94 A P T 3 S+ 0 0 140 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 0.778 114.3 50.9 -50.7 -34.4 15.5 19.1 28.0 94 95 A N T 3 S+ 0 0 122 -22,-0.1 2,-0.5 2,-0.1 -22,-0.0 0.521 91.8 94.6 -82.4 -11.2 12.4 17.4 26.4 95 96 A V < - 0 0 12 -3,-1.6 2,-0.2 -19,-0.0 -20,-0.1 -0.765 66.6-146.8 -90.5 124.9 12.4 14.6 29.0 96 97 A K E -c 76 0A 148 -21,-1.1 -19,-2.3 -2,-0.5 2,-0.4 -0.556 10.0-157.5 -88.6 152.4 10.2 15.1 32.1 97 98 A K E +c 77 0A 81 -21,-0.2 2,-0.4 -2,-0.2 -19,-0.2 -0.999 10.9 179.2-136.2 135.6 11.1 13.8 35.5 98 99 A E E -c 78 0A 58 -21,-2.3 -19,-2.4 -2,-0.4 2,-0.6 -0.996 21.6-139.0-136.6 140.7 8.9 13.0 38.5 99 100 A H E -c 79 0A 84 -2,-0.4 2,-0.7 -21,-0.2 -19,-0.2 -0.901 17.3-178.9-102.0 115.0 9.7 11.7 42.0 100 101 A W - 0 0 30 -21,-2.8 2,-0.3 -2,-0.6 -2,-0.0 -0.878 22.8-149.5-112.9 91.8 7.2 9.1 43.2 101 102 A G + 0 0 52 -2,-0.7 2,-0.3 -20,-0.1 -20,-0.2 -0.468 22.4 171.0 -71.4 126.5 8.6 8.2 46.7 102 103 A F - 0 0 25 -22,-1.4 -20,-0.2 -2,-0.3 -87,-0.1 -0.963 36.6-102.7-130.9 149.7 8.1 4.8 48.1 103 104 A D - 0 0 91 -2,-0.3 -88,-0.0 1,-0.1 -23,-0.0 -0.327 44.2 -98.0 -68.3 152.6 9.6 3.2 51.3 104 105 A D - 0 0 76 1,-0.2 -1,-0.1 2,-0.1 -23,-0.0 -0.659 34.4-169.6 -75.1 115.0 12.5 0.7 50.8 105 106 A P > + 0 0 0 0, 0.0 3,-1.5 0, 0.0 2,-0.6 0.680 61.7 94.1 -78.5 -20.9 10.9 -2.8 51.0 106 107 A A T 3 S+ 0 0 42 1,-0.3 3,-0.1 7,-0.1 -2,-0.1 -0.659 95.0 21.6 -76.1 114.1 14.2 -4.6 51.2 107 108 A G T 3 S+ 0 0 82 -2,-0.6 -1,-0.3 1,-0.5 2,-0.2 0.195 104.2 106.5 111.0 -14.9 14.9 -5.0 54.9 108 109 A K S < S- 0 0 107 -3,-1.5 -1,-0.5 1,-0.1 5,-0.1 -0.618 83.6 -84.9 -93.2 157.6 11.2 -4.7 55.8 109 110 A E >> - 0 0 159 -2,-0.2 4,-1.2 -3,-0.1 3,-0.9 -0.187 46.1-103.5 -58.7 151.8 9.0 -7.7 56.9 110 111 A W H 3> S+ 0 0 69 1,-0.2 4,-1.6 2,-0.2 3,-0.2 0.801 119.8 56.0 -50.5 -34.5 7.4 -9.7 54.0 111 112 A S H 3> S+ 0 0 87 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.868 107.4 49.2 -67.0 -37.5 3.9 -8.1 54.5 112 113 A E H <> S+ 0 0 75 -3,-0.9 4,-1.9 2,-0.2 -1,-0.2 0.743 105.2 58.2 -74.7 -21.4 5.4 -4.6 54.1 113 114 A F H X S+ 0 0 0 -4,-1.2 4,-1.7 2,-0.2 -2,-0.2 0.901 108.2 46.5 -71.4 -42.0 7.2 -5.7 50.9 114 115 A Q H X S+ 0 0 46 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.819 108.5 56.5 -68.7 -31.8 3.8 -6.7 49.5 115 116 A R H X S+ 0 0 74 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.918 107.1 47.5 -66.6 -46.8 2.4 -3.3 50.6 116 117 A V H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.896 109.0 56.2 -62.0 -39.1 5.0 -1.3 48.7 117 118 A R H X S+ 0 0 14 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.893 111.5 42.9 -58.4 -41.7 4.3 -3.5 45.6 118 119 A D H X S+ 0 0 58 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.761 107.9 57.4 -80.3 -23.7 0.6 -2.6 45.8 119 120 A E H X S+ 0 0 77 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.837 107.2 51.1 -72.1 -32.8 1.3 1.1 46.5 120 121 A I H X S+ 0 0 2 -4,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.888 106.2 54.2 -69.7 -40.2 3.3 1.1 43.2 121 122 A K H X S+ 0 0 70 -4,-1.3 4,-2.2 1,-0.2 -2,-0.2 0.956 109.5 48.7 -55.8 -50.7 0.3 -0.6 41.4 122 123 A L H X S+ 0 0 100 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.841 109.4 50.6 -59.4 -41.9 -2.0 2.3 42.6 123 124 A A H X S+ 0 0 23 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.871 112.2 47.5 -67.0 -35.8 0.5 5.0 41.5 124 125 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.856 111.1 51.1 -73.7 -35.5 0.7 3.5 38.0 125 126 A E H X S+ 0 0 77 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.924 111.3 47.9 -66.5 -42.3 -3.1 3.1 37.8 126 127 A K H < S+ 0 0 143 -4,-2.3 3,-0.2 1,-0.2 -2,-0.2 0.854 109.6 54.2 -66.3 -36.2 -3.5 6.8 38.8 127 128 A F H >< S+ 0 0 20 -4,-1.7 3,-1.5 1,-0.2 -1,-0.2 0.877 102.6 55.9 -65.3 -41.4 -0.9 7.7 36.1 128 129 A K H 3< S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.803 103.1 58.4 -61.2 -27.5 -2.8 5.9 33.4 129 130 A L T 3< 0 0 148 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.439 360.0 360.0 -83.4 -1.8 -5.8 8.1 34.3 130 131 A R < 0 0 201 -3,-1.5 -3,-0.0 -4,-0.2 -4,-0.0 -0.454 360.0 360.0 -70.4 360.0 -3.9 11.4 33.6