==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 08-APR-09 3H04 . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR R.ZHANG,C.TESAR,A.SATHER,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTE . 272 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12090.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 71.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 12 4.4 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 0.4 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 . 23 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 13.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 77 28.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 2 2 0 3 0 0 1 0 1 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 3 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 3 A E 0 0 156 0, 0.0 2,-0.5 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 125.1 20.5 -2.0 7.9 2 4 A I E -A 18 0A 86 16,-2.1 16,-2.3 2,-0.0 2,-0.3 -0.962 360.0-141.6-119.2 126.3 18.8 1.5 7.9 3 5 A K E +A 17 0A 184 -2,-0.5 2,-0.3 14,-0.2 14,-0.2 -0.638 26.0 161.7 -91.6 137.1 20.3 4.6 6.3 4 6 A Y E -A 16 0A 87 12,-2.9 12,-2.0 -2,-0.3 2,-0.3 -0.855 19.6-147.0-136.8 169.5 20.1 8.1 7.7 5 7 A K E -A 15 0A 136 -2,-0.3 2,-0.5 10,-0.2 8,-0.1 -0.995 6.1-149.8-141.9 153.4 22.0 11.3 7.2 6 8 A V E -A 14 0A 18 8,-2.2 8,-3.0 -2,-0.3 2,-0.6 -0.984 19.4-140.5-114.6 132.1 23.0 14.3 9.3 7 9 A I E -A 13 0A 95 -2,-0.5 6,-0.2 6,-0.2 -2,-0.0 -0.852 22.0-139.9 -93.3 117.6 23.4 17.6 7.4 8 10 A T > - 0 0 14 4,-2.9 3,-2.4 -2,-0.6 71,-0.1 -0.199 28.1 -98.1 -70.3 169.3 26.4 19.5 8.7 9 11 A K T 3 S+ 0 0 220 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.790 128.3 52.0 -54.3 -35.0 26.6 23.4 9.3 10 12 A D T 3 S- 0 0 97 2,-0.1 -1,-0.3 0, 0.0 -2,-0.1 0.201 124.3-105.3 -91.3 17.4 28.3 23.6 5.9 11 13 A A S < S+ 0 0 82 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.766 71.5 144.9 73.3 27.2 25.5 21.6 4.2 12 14 A F - 0 0 55 2,-0.0 -4,-2.9 1,-0.0 2,-0.4 -0.829 48.3-126.8 -98.0 136.0 27.6 18.3 3.9 13 15 A A E -A 7 0A 45 -2,-0.4 -6,-0.2 -6,-0.2 -8,-0.0 -0.690 20.2-169.1 -84.1 124.6 25.7 15.0 4.2 14 16 A L E -A 6 0A 0 -8,-3.0 -8,-2.2 -2,-0.4 2,-0.1 -0.955 16.6-148.9-109.9 107.7 27.2 12.6 6.8 15 17 A P E -A 5 0A 57 0, 0.0 49,-0.6 0, 0.0 2,-0.3 -0.408 17.6-179.4 -71.7 150.3 25.6 9.2 6.3 16 18 A Y E -AB 4 63A 12 -12,-2.0 -12,-2.9 47,-0.2 2,-0.4 -0.962 13.3-148.2-144.5 152.0 25.0 6.9 9.2 17 19 A T E -AB 3 62A 30 45,-1.3 45,-2.4 -2,-0.3 2,-0.5 -0.933 2.9-156.5-117.5 141.6 23.5 3.4 9.5 18 20 A I E -AB 2 61A 4 -16,-2.3 -16,-2.1 -2,-0.4 2,-0.5 -0.988 1.7-165.3-117.1 125.6 21.6 1.8 12.4 19 21 A I E - B 0 60A 24 41,-2.9 41,-2.4 -2,-0.5 2,-0.1 -0.973 27.3-128.8-105.2 123.5 21.4 -1.9 12.7 20 22 A K - 0 0 92 -2,-0.5 39,-0.1 39,-0.2 38,-0.1 -0.354 23.9 -94.4 -76.4 147.5 18.7 -2.8 15.2 21 23 A A - 0 0 5 36,-0.2 35,-0.2 1,-0.1 36,-0.1 -0.380 30.7-138.0 -53.3 132.1 19.0 -5.1 18.3 22 24 A K S S+ 0 0 114 33,-3.0 2,-0.6 36,-0.2 34,-0.2 0.849 93.3 45.7 -63.4 -43.0 17.9 -8.7 17.3 23 25 A N S S- 0 0 84 33,-2.3 -1,-0.2 32,-0.3 -2,-0.0 -0.950 106.4-100.6-111.9 118.2 15.9 -9.3 20.5 24 26 A Q S S+ 0 0 120 -2,-0.6 2,-0.1 2,-0.1 -2,-0.0 -0.641 88.8 41.7-100.5 145.6 13.8 -6.3 21.3 25 27 A P S S- 0 0 107 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.484 86.0-118.0 -87.4 164.8 13.7 -3.9 23.1 26 28 A T - 0 0 31 1,-0.1 32,-0.2 -2,-0.1 3,-0.1 -0.246 9.0-152.2 -63.1 144.7 17.3 -2.6 22.9 27 29 A K S S- 0 0 78 30,-3.6 2,-0.3 1,-0.3 31,-0.2 0.598 74.3 -37.6 -83.0 -17.5 19.4 -2.5 26.1 28 30 A G E -c 58 0A 0 29,-0.5 31,-2.9 66,-0.1 2,-0.5 -0.978 60.0 -91.3 172.4 175.5 21.4 0.4 24.6 29 31 A V E -cd 59 96A 0 66,-2.3 68,-2.8 -2,-0.3 2,-0.6 -0.967 23.9-158.3-120.5 130.3 23.0 2.1 21.6 30 32 A I E -cd 60 97A 0 29,-3.1 31,-2.9 -2,-0.5 2,-0.8 -0.952 8.7-154.0-106.6 114.0 26.5 1.5 20.6 31 33 A V E -cd 61 98A 0 66,-3.7 68,-2.5 -2,-0.6 2,-0.4 -0.810 16.4-153.2 -90.7 112.4 27.9 4.4 18.4 32 34 A Y E -cd 62 99A 1 29,-2.8 31,-2.2 -2,-0.8 2,-0.5 -0.731 13.6-170.6 -97.8 129.6 30.7 2.9 16.3 33 35 A I E - d 0 100A 0 66,-2.7 68,-1.6 -2,-0.4 75,-0.1 -0.969 18.9-140.2-123.0 114.6 33.6 4.9 15.0 34 36 A H - 0 0 0 -2,-0.5 9,-0.1 29,-0.5 10,-0.0 -0.200 13.8-126.9 -71.3 163.5 35.8 3.2 12.5 35 37 A G + 0 0 7 7,-0.2 67,-0.2 68,-0.1 7,-0.1 0.091 48.4 132.6 -91.2-152.9 39.6 3.5 12.3 36 38 A G S >> S- 0 0 8 5,-0.1 3,-2.6 3,-0.1 4,-2.0 0.635 86.5 -82.6 111.6 26.4 42.0 4.4 9.5 37 39 A G T 34 S- 0 0 3 1,-0.3 4,-0.1 2,-0.2 -2,-0.1 0.682 78.7 -73.7 56.4 26.0 44.4 6.9 11.1 38 40 A L T 34 S+ 0 0 0 2,-0.3 30,-2.9 1,-0.1 -1,-0.3 0.421 131.7 77.8 66.1 7.8 41.8 9.6 10.4 39 41 A M T <4 S+ 0 0 0 -3,-2.6 2,-0.3 28,-0.2 -2,-0.2 0.601 96.1 12.1-122.6 -22.7 42.8 9.4 6.7 40 42 A F S < S+ 0 0 51 -4,-2.0 -2,-0.3 131,-0.1 2,-0.2 -0.874 77.3 75.4-143.4-179.9 41.2 6.3 5.2 41 43 A G - 0 0 10 -2,-0.3 124,-1.8 -4,-0.1 2,-0.3 -0.649 55.5-106.4 114.6-170.4 38.6 3.6 5.9 42 44 A K > - 0 0 89 -2,-0.2 3,-0.5 122,-0.2 -7,-0.2 -0.960 21.5-116.0-159.2 155.2 34.8 3.3 5.9 43 45 A A T 3 S+ 0 0 12 -2,-0.3 2,-0.8 1,-0.2 3,-0.3 0.798 108.8 58.4 -63.9 -38.1 32.0 3.1 8.5 44 46 A N T 3 + 0 0 80 1,-0.2 -1,-0.2 18,-0.1 -3,-0.0 -0.363 68.9 115.4 -92.9 53.7 30.9 -0.4 7.6 45 47 A D < + 0 0 55 -2,-0.8 2,-0.3 -3,-0.5 -1,-0.2 0.360 42.2 109.0-104.2 4.2 34.3 -2.2 8.2 46 48 A L S S- 0 0 10 -3,-0.3 204,-0.1 1,-0.1 5,-0.0 -0.631 76.5-110.1 -80.1 134.7 33.2 -4.4 11.1 47 49 A S >> - 0 0 21 -2,-0.3 4,-2.1 202,-0.2 3,-1.0 -0.349 23.9-120.0 -58.2 142.2 32.9 -8.2 10.3 48 50 A P H 3> S+ 0 0 93 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.832 114.1 60.9 -48.1 -37.6 29.3 -9.5 10.2 49 51 A Q H 3> S+ 0 0 99 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.879 104.9 46.2 -63.3 -37.3 30.3 -11.9 13.1 50 52 A Y H <> S+ 0 0 0 -3,-1.0 4,-2.4 1,-0.2 -1,-0.2 0.895 110.9 53.3 -71.8 -39.9 31.1 -8.9 15.4 51 53 A I H X S+ 0 0 21 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.891 105.8 53.8 -60.8 -42.2 27.9 -7.2 14.4 52 54 A D H < S+ 0 0 77 -4,-2.5 4,-0.4 -5,-0.2 -1,-0.2 0.921 111.2 45.4 -60.2 -42.6 25.9 -10.3 15.4 53 55 A I H >< S+ 0 0 11 -4,-1.7 3,-0.7 1,-0.2 4,-0.3 0.936 116.9 43.9 -61.7 -46.1 27.5 -10.4 18.8 54 56 A L H >X S+ 0 0 0 -4,-2.4 4,-0.9 1,-0.2 3,-0.6 0.880 113.9 49.3 -72.2 -36.5 27.0 -6.6 19.5 55 57 A T T 3< S+ 0 0 0 -4,-2.7 -33,-3.0 1,-0.2 -32,-0.3 0.350 77.7 97.1 -94.1 8.0 23.5 -6.3 18.1 56 58 A E T <4 S- 0 0 75 -3,-0.7 -33,-2.3 -4,-0.4 -1,-0.2 0.938 117.1 -5.3 -54.1 -47.0 21.9 -9.3 20.0 57 59 A H T <4 S+ 0 0 58 -3,-0.6 -30,-3.6 -4,-0.3 -29,-0.5 0.409 128.6 68.0-129.9 -2.2 20.6 -6.8 22.6 58 60 A Y E < S- c 0 28A 1 -4,-0.9 2,-0.3 -32,-0.2 -29,-0.2 -0.880 74.7-121.9-119.5 147.7 22.2 -3.4 21.5 59 61 A D E - c 0 29A 2 -31,-2.9 -29,-3.1 -2,-0.3 2,-0.5 -0.721 25.5-148.9 -80.4 145.6 21.6 -1.1 18.5 60 62 A L E -Bc 19 30A 0 -41,-2.4 -41,-2.9 -2,-0.3 2,-0.5 -0.983 11.5-170.0-119.1 120.1 24.8 -0.5 16.5 61 63 A I E -Bc 18 31A 0 -31,-2.9 -29,-2.8 -2,-0.5 2,-0.8 -0.954 8.0-156.6-116.1 116.1 25.1 2.9 14.8 62 64 A Q E -Bc 17 32A 2 -45,-2.4 -45,-1.3 -2,-0.5 -29,-0.2 -0.805 18.0-161.7 -98.3 107.1 28.0 3.2 12.3 63 65 A L E -B 16 0A 0 -31,-2.2 -29,-0.5 -2,-0.8 2,-0.3 -0.484 5.5-146.7 -93.7 162.5 28.9 6.9 11.9 64 66 A S + 0 0 8 -49,-0.6 2,-0.3 -2,-0.2 19,-0.1 -0.875 13.8 178.1-122.6 154.6 30.8 8.8 9.2 65 67 A Y - 0 0 0 98,-0.4 2,-0.1 -2,-0.3 11,-0.1 -0.971 39.2 -92.7-147.6 156.4 33.1 11.8 9.2 66 68 A R - 0 0 8 -2,-0.3 97,-0.2 9,-0.2 2,-0.2 -0.408 48.8-126.2 -70.2 141.2 35.1 13.6 6.6 67 69 A L >> - 0 0 0 95,-2.2 4,-1.2 -2,-0.1 3,-0.6 -0.568 26.3 -78.1 -91.9 154.6 38.7 12.4 6.3 68 70 A L T 34 S+ 0 0 0 -30,-2.9 4,-0.1 1,-0.3 119,-0.1 -0.529 100.0 30.2 -69.2 152.1 42.1 14.0 6.4 69 71 A P T 34 S+ 0 0 40 0, 0.0 -1,-0.3 0, 0.0 -30,-0.1 -0.979 116.1 54.6 -96.6 5.1 43.8 15.6 4.5 70 72 A E T <4 S+ 0 0 43 -3,-0.6 2,-0.3 90,-0.1 -2,-0.2 0.764 123.1 24.2 -73.9 -22.0 41.0 17.2 2.6 71 73 A V S < S- 0 0 18 -4,-1.2 2,-0.2 89,-0.1 89,-0.0 -0.843 90.4-112.5-125.4 170.3 39.5 18.5 5.9 72 74 A S > - 0 0 25 -2,-0.3 4,-1.9 -4,-0.1 3,-0.3 -0.477 31.1-102.3 -94.1 171.3 41.3 19.2 9.2 73 75 A L H > S+ 0 0 0 114,-2.4 4,-2.5 1,-0.2 5,-0.2 0.822 122.0 62.0 -62.0 -28.1 40.9 17.4 12.6 74 76 A D H > S+ 0 0 43 113,-0.3 4,-2.0 114,-0.2 -1,-0.2 0.922 106.1 46.1 -63.6 -41.9 38.7 20.3 13.7 75 77 A C H > S+ 0 0 22 -3,-0.3 4,-2.6 2,-0.2 -2,-0.2 0.882 109.8 53.9 -62.8 -42.8 36.3 19.4 11.0 76 78 A I H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 5,-0.2 0.942 110.1 46.9 -55.4 -49.6 36.5 15.7 11.9 77 79 A I H X S+ 0 0 7 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.908 111.8 51.2 -63.0 -39.9 35.6 16.5 15.5 78 80 A E H X S+ 0 0 125 -4,-2.0 4,-2.0 -5,-0.2 -1,-0.2 0.917 112.7 45.6 -63.7 -42.9 32.7 18.7 14.3 79 81 A D H X S+ 0 0 3 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.907 112.7 50.5 -64.1 -47.6 31.4 16.0 12.0 80 82 A V H X S+ 0 0 0 -4,-2.9 4,-3.5 1,-0.2 -2,-0.2 0.941 113.8 44.0 -57.1 -48.0 31.7 13.3 14.7 81 83 A Y H X S+ 0 0 28 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.858 112.2 52.6 -70.1 -33.2 29.8 15.4 17.3 82 84 A A H X S+ 0 0 32 -4,-2.0 4,-1.7 -5,-0.2 -1,-0.2 0.932 115.5 41.9 -67.3 -39.2 27.1 16.5 14.8 83 85 A S H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.954 114.3 51.1 -72.6 -46.8 26.6 12.8 14.0 84 86 A F H X S+ 0 0 0 -4,-3.5 4,-3.4 -5,-0.2 -2,-0.2 0.915 111.5 47.7 -52.7 -46.5 26.8 11.8 17.6 85 87 A D H X S+ 0 0 61 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.845 110.1 51.2 -69.0 -35.9 24.2 14.5 18.7 86 88 A A H X S+ 0 0 27 -4,-1.7 4,-0.9 -5,-0.2 -1,-0.2 0.907 115.4 43.9 -64.7 -40.5 21.8 13.5 15.9 87 89 A I H >< S+ 0 0 0 -4,-2.6 3,-0.6 2,-0.2 4,-0.3 0.944 111.6 52.1 -69.8 -47.4 22.1 9.9 17.1 88 90 A Q H >< S+ 0 0 54 -4,-3.4 3,-2.1 1,-0.2 6,-0.2 0.905 104.1 56.3 -56.9 -43.6 21.8 10.7 20.8 89 91 A S H >< S+ 0 0 78 -4,-2.2 3,-0.6 1,-0.3 -1,-0.2 0.854 104.1 56.1 -58.3 -30.5 18.6 12.7 20.3 90 92 A Q T << S+ 0 0 79 -4,-0.9 -1,-0.3 -3,-0.6 -2,-0.2 0.509 110.9 43.2 -76.5 -7.6 17.1 9.5 18.7 91 93 A Y T X S+ 0 0 25 -3,-2.1 3,-1.4 -4,-0.3 -1,-0.3 -0.453 74.6 154.8-132.0 57.6 17.9 7.5 21.9 92 94 A S T < S+ 0 0 91 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.851 74.0 29.4 -64.6 -40.8 16.7 10.0 24.5 93 95 A N T 3 S+ 0 0 162 -3,-0.1 -1,-0.3 2,-0.1 -3,-0.0 -0.082 106.7 95.0-108.0 32.6 15.9 7.7 27.4 94 96 A C S < S- 0 0 37 -3,-1.4 -66,-0.1 -6,-0.2 -3,-0.1 -0.917 79.6 -98.3-136.0 145.6 18.4 5.0 26.6 95 97 A P - 0 0 42 0, 0.0 -66,-2.3 0, 0.0 2,-0.4 -0.401 42.4-162.8 -61.5 141.9 22.0 3.9 27.5 96 98 A I E -d 29 0A 2 -68,-0.2 22,-3.0 -66,-0.0 23,-0.6 -0.990 10.8-179.0-134.1 138.0 24.5 5.0 25.0 97 99 A F E -de 30 119A 0 -68,-2.8 -66,-3.7 -2,-0.4 2,-0.4 -0.946 20.8-136.2-130.2 153.8 28.1 3.9 24.3 98 100 A T E -de 31 120A 0 21,-1.7 23,-3.0 -2,-0.3 2,-0.4 -0.896 18.6-173.9-109.5 139.0 31.0 4.8 22.0 99 101 A F E +de 32 121A 0 -68,-2.5 -66,-2.7 -2,-0.4 2,-0.3 -0.978 12.3 169.2-134.1 113.7 33.0 2.0 20.4 100 102 A G E -de 33 122A 0 21,-2.3 23,-2.5 -2,-0.4 2,-0.4 -0.920 24.2-148.7-125.6 157.4 36.0 2.9 18.3 101 103 A R E > - e 0 123A 21 -68,-1.6 3,-2.2 -2,-0.3 23,-0.2 -0.996 69.0 -35.4-121.5 132.0 39.0 1.1 16.7 102 104 A S T >> S+ 0 0 10 21,-3.0 3,-1.4 -2,-0.4 4,-1.3 -0.372 140.2 3.2 61.1-126.8 42.3 2.8 16.4 103 105 A S H 3> S+ 0 0 0 1,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.770 130.1 64.6 -61.4 -25.1 41.7 6.5 15.6 104 106 A G H <> S+ 0 0 0 -3,-2.2 4,-2.1 2,-0.2 -1,-0.3 0.810 97.8 54.4 -62.9 -31.1 38.0 5.9 16.0 105 107 A A H <> S+ 0 0 0 -3,-1.4 4,-2.2 18,-0.3 -2,-0.2 0.876 105.1 53.6 -71.5 -36.4 38.6 5.0 19.7 106 108 A Y H X S+ 0 0 0 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.968 111.3 45.0 -56.3 -51.4 40.4 8.4 20.0 107 109 A L H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.873 111.1 54.5 -59.6 -38.4 37.2 10.1 18.6 108 110 A S H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.866 107.9 49.2 -64.7 -35.3 35.1 7.9 20.9 109 111 A L H X S+ 0 0 0 -4,-2.2 4,-1.4 17,-0.2 -1,-0.2 0.850 107.1 54.4 -73.5 -36.2 37.0 9.1 23.9 110 112 A L H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 3,-0.2 0.915 108.7 49.5 -60.0 -44.4 36.6 12.8 22.9 111 113 A I H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.959 107.3 55.5 -57.2 -48.7 32.9 12.2 22.8 112 114 A A H < S+ 0 0 7 -4,-2.0 5,-0.3 1,-0.2 -1,-0.2 0.795 111.9 43.4 -55.4 -31.8 33.1 10.6 26.3 113 115 A R H < S+ 0 0 33 -4,-1.4 -1,-0.2 -3,-0.2 -2,-0.2 0.871 121.4 37.9 -77.8 -39.1 34.8 13.7 27.6 114 116 A D H < S+ 0 0 60 -4,-2.5 2,-0.3 -5,-0.1 -2,-0.2 0.409 119.6 36.7 -99.8 -2.9 32.5 16.2 25.9 115 117 A R S < S- 0 0 73 -4,-1.8 2,-0.7 -5,-0.2 -34,-0.0 -0.871 88.0-102.3-137.5 173.2 29.1 14.5 26.1 116 118 A D + 0 0 149 -2,-0.3 2,-0.3 2,-0.0 -4,-0.1 -0.891 53.4 154.7-107.8 107.7 27.4 12.4 28.8 117 119 A I - 0 0 14 -2,-0.7 -20,-0.2 -5,-0.3 3,-0.1 -0.833 47.4-122.0-128.6 172.7 27.5 8.7 27.9 118 120 A D S S- 0 0 65 -22,-3.0 2,-0.3 -2,-0.3 -21,-0.2 0.601 79.3 -24.0 -97.0 -11.4 27.5 5.4 29.7 119 121 A G E -e 97 0A 0 -23,-0.6 -21,-1.7 89,-0.2 2,-0.4 -0.937 50.7-126.5 174.3 166.2 30.7 3.8 28.6 120 122 A V E -ef 98 210A 0 89,-2.6 91,-3.1 -2,-0.3 2,-0.6 -0.995 6.0-155.1-134.3 135.7 33.5 3.6 26.0 121 123 A I E -ef 99 211A 0 -23,-3.0 -21,-2.3 -2,-0.4 2,-0.6 -0.976 18.1-170.2-109.6 117.3 34.9 0.6 24.1 122 124 A D E -ef 100 212A 0 89,-3.4 91,-1.9 -2,-0.6 2,-0.7 -0.932 6.9-173.2-118.6 100.7 38.5 1.4 23.1 123 125 A F E S-ef 101 213A 0 -23,-2.5 -21,-3.0 -2,-0.6 -18,-0.3 -0.899 74.5 -36.6 -96.8 111.1 40.2 -1.0 20.7 124 126 A Y S S+ 0 0 5 89,-3.0 -1,-0.2 -2,-0.7 90,-0.1 0.751 104.9 127.4 45.1 44.4 43.8 -0.0 20.2 125 127 A G - 0 0 0 88,-0.1 2,-0.3 -25,-0.1 -22,-0.2 -0.136 46.8-132.5-107.5-156.5 43.3 3.7 20.3 126 128 A Y - 0 0 5 -24,-0.4 -17,-0.2 -2,-0.1 100,-0.1 -0.963 12.6-137.4-161.6 159.7 44.7 6.6 22.3 127 129 A S S S+ 0 0 0 -2,-0.3 72,-2.8 98,-0.2 2,-0.3 0.209 85.6 36.4-110.4 2.8 43.5 9.7 24.2 128 130 A R - 0 0 64 70,-0.2 70,-0.2 1,-0.1 -1,-0.1 -0.988 49.7-158.6-154.9 151.3 46.0 12.2 22.9 129 131 A I S S+ 0 0 0 68,-0.5 2,-1.9 -2,-0.3 5,-0.1 0.583 78.9 87.1-104.5 -19.0 47.9 13.2 19.7 130 132 A N + 0 0 63 62,-0.2 2,-0.3 67,-0.1 -1,-0.1 -0.547 64.8 116.3 -82.5 75.2 50.7 15.1 21.4 131 133 A T S >> S- 0 0 14 -2,-1.9 4,-1.5 1,-0.1 3,-1.0 -0.964 74.7-115.0-144.6 150.9 52.9 12.0 21.9 132 134 A E H 3> S+ 0 0 112 -2,-0.3 4,-3.0 1,-0.3 3,-0.4 0.920 111.2 57.3 -65.1 -41.6 56.3 11.2 20.5 133 135 A P H 34 S+ 0 0 48 0, 0.0 -1,-0.3 0, 0.0 48,-0.1 0.759 111.8 44.7 -56.7 -27.2 55.3 8.1 18.5 134 136 A F H <4 S+ 0 0 3 -3,-1.0 50,-0.6 -5,-0.1 49,-0.2 0.717 115.2 47.1 -85.9 -24.2 52.8 10.4 16.6 135 137 A K H < S+ 0 0 71 -4,-1.5 -3,-0.2 -3,-0.4 49,-0.1 0.844 111.2 54.5 -80.8 -36.4 55.2 13.2 16.1 136 138 A T S < S- 0 0 58 -4,-3.0 45,-0.3 -5,-0.2 47,-0.1 -0.345 99.6 -72.8 -99.8 172.3 58.2 11.2 14.9 137 139 A T - 0 0 77 43,-0.2 2,-0.6 44,-0.1 42,-0.2 -0.429 42.5-134.4 -59.8 132.3 58.8 8.7 12.1 138 140 A N >> - 0 0 20 40,-2.6 4,-1.1 1,-0.1 3,-0.7 -0.872 7.2-148.9 -93.1 118.8 57.2 5.3 12.7 139 141 A S H 3> S+ 0 0 110 -2,-0.6 4,-0.5 1,-0.2 3,-0.2 0.800 93.9 58.2 -48.9 -44.8 59.7 2.4 11.9 140 142 A Y H 34 S+ 0 0 135 79,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.866 114.5 36.6 -61.3 -37.0 57.1 -0.0 10.7 141 143 A Y H <> S+ 0 0 26 -3,-0.7 4,-2.3 1,-0.1 38,-0.3 0.575 93.5 90.0 -91.2 -14.1 55.8 2.4 8.0 142 144 A A H X S+ 0 0 14 -4,-1.1 4,-2.5 -3,-0.2 -1,-0.1 0.853 82.1 51.7 -58.4 -42.9 59.2 3.9 6.9 143 145 A K H < S+ 0 0 175 -4,-0.5 4,-0.5 1,-0.2 -1,-0.2 0.952 115.0 41.2 -63.6 -50.4 60.2 1.5 4.1 144 146 A I H >> S+ 0 0 93 -4,-0.3 3,-1.6 1,-0.2 4,-0.6 0.915 113.0 55.8 -63.3 -41.1 57.0 1.7 2.2 145 147 A A H >< S+ 0 0 2 -4,-2.3 3,-0.9 1,-0.3 -2,-0.2 0.904 106.9 50.2 -57.9 -40.8 56.8 5.4 2.8 146 148 A Q T 3< S+ 0 0 156 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.563 102.4 62.5 -70.7 -11.3 60.2 5.8 1.2 147 149 A S T <4 S+ 0 0 96 -3,-1.6 -1,-0.2 -4,-0.5 2,-0.2 0.501 102.4 53.8 -99.3 -5.5 59.2 3.8 -1.9 148 150 A I S << S- 0 0 32 -3,-0.9 2,-0.3 -4,-0.6 0, 0.0 -0.593 75.6-140.2-111.1 177.6 56.5 6.2 -2.9 149 151 A N > - 0 0 92 -2,-0.2 4,-2.2 1,-0.0 5,-0.1 -0.823 31.0 -95.9-130.3 178.8 56.7 10.0 -3.6 150 152 A E H > S+ 0 0 143 -2,-0.3 4,-1.9 2,-0.2 5,-0.1 0.679 122.0 50.8 -70.5 -23.8 54.6 13.1 -2.9 151 153 A T H > S+ 0 0 101 2,-0.2 4,-2.4 3,-0.2 -1,-0.2 0.926 108.6 52.2 -76.1 -49.0 52.9 13.1 -6.3 152 154 A M H 4 S+ 0 0 61 1,-0.2 -2,-0.2 2,-0.2 4,-0.1 0.927 115.9 42.2 -44.8 -52.2 52.0 9.4 -5.9 153 155 A I H >< S+ 0 0 10 -4,-2.2 3,-1.8 1,-0.2 4,-0.3 0.892 110.0 55.0 -70.0 -38.1 50.4 10.4 -2.6 154 156 A A H >< S+ 0 0 45 -4,-1.9 3,-1.4 1,-0.3 -1,-0.2 0.867 102.7 58.3 -66.2 -31.6 48.7 13.6 -3.7 155 157 A Q T 3< S+ 0 0 152 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.505 96.2 63.4 -78.4 0.8 47.0 11.6 -6.5 156 158 A L T < S+ 0 0 9 -3,-1.8 -1,-0.3 -5,-0.2 10,-0.2 0.486 91.5 87.3 -96.0 -4.6 45.4 9.3 -3.9 157 159 A T S < S- 0 0 47 -3,-1.4 -3,-0.0 -4,-0.3 13,-0.0 -0.445 78.5-118.5 -89.3 167.0 43.5 12.3 -2.5 158 160 A S - 0 0 17 -2,-0.2 4,-0.1 1,-0.1 -2,-0.1 -0.747 11.7-130.2-107.1 149.2 40.2 13.6 -3.5 159 161 A P S S+ 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.731 99.7 26.7 -72.8 -15.6 39.5 17.1 -5.0 160 162 A T S S- 0 0 89 -89,-0.0 -90,-0.1 1,-0.0 -89,-0.1 -0.948 105.8 -77.3-138.5 160.5 36.7 17.4 -2.4 161 163 A P - 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