==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-12 4I3F . COMPND 2 MOLECULE: SERINE HYDROLASE CCSP0084; . SOURCE 2 ORGANISM_SCIENTIFIC: CYCLOCLASTICUS SP. P1; . AUTHOR P.J.STOGIOS,X.XU,A.DONG,H.CUI,M.ALCAIDE,J.TORNES,C.GERTLER, . 283 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 193 68.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.6 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 . 1 0.4 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 0.4 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 . 11 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 32.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 3 0 1 1 1 2 0 1 2 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 2 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 . 0 0 0 1 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 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 0 A G 0 0 125 0, 0.0 19,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 5.0 -26.0 14.3 17.1 2 1 A M - 0 0 74 17,-0.1 2,-0.3 18,-0.1 17,-0.2 -0.996 360.0-155.6-143.2 138.1 -26.2 11.2 15.0 3 2 A Q E -A 18 0A 97 15,-2.4 15,-2.7 -2,-0.3 2,-0.3 -0.820 4.2-161.2-111.0 147.7 -26.6 10.6 11.2 4 3 A T E +A 17 0A 79 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.936 15.5 165.1-122.1 152.9 -28.0 7.7 9.3 5 4 A S E -A 16 0A 39 11,-1.7 11,-3.0 -2,-0.3 2,-0.5 -0.971 35.1-125.6-154.3 162.8 -27.5 6.7 5.7 6 5 A N E -A 15 0A 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.988 35.2-174.3-112.7 122.4 -27.9 3.9 3.3 7 6 A I E -A 14 0A 29 7,-2.7 7,-3.3 -2,-0.5 2,-0.3 -0.957 27.6-114.3-127.2 133.5 -24.6 3.1 1.6 8 7 A Q E +A 13 0A 144 -2,-0.4 2,-0.5 5,-0.2 5,-0.2 -0.490 32.2 177.7 -68.4 123.9 -23.9 0.6 -1.2 9 8 A T E > -A 12 0A 0 3,-2.8 3,-1.1 -2,-0.3 2,-0.3 -0.838 60.7 -61.0-128.1 92.5 -21.6 -2.1 -0.0 10 9 A G T 3 S- 0 0 41 -2,-0.5 -1,-0.0 1,-0.2 76,-0.0 -0.539 119.0 -6.3 69.3-126.6 -21.1 -4.6 -2.9 11 10 A S T 3 S+ 0 0 75 -2,-0.3 2,-0.3 -3,-0.1 -1,-0.2 0.429 131.8 37.0 -87.0 0.3 -24.4 -6.2 -4.1 12 11 A F E < S-A 9 0A 19 -3,-1.1 -3,-2.8 57,-0.1 2,-0.4 -0.923 83.7 -98.9-143.9 168.6 -26.6 -4.7 -1.4 13 12 A N E -A 8 0A 89 55,-0.4 2,-0.5 -2,-0.3 -5,-0.2 -0.745 26.4-146.9 -94.1 141.0 -27.1 -1.6 0.7 14 13 A T E -A 7 0A 0 -7,-3.3 -7,-2.7 -2,-0.4 2,-0.5 -0.897 10.8-137.3-104.3 128.7 -25.9 -1.2 4.3 15 14 A F E -A 6 0A 31 -2,-0.5 45,-2.5 45,-0.3 2,-0.4 -0.749 31.6-164.2 -81.5 127.3 -27.8 0.9 6.8 16 15 A L E -AB 5 59A 0 -11,-3.0 -11,-1.7 -2,-0.5 2,-0.4 -0.949 20.5-161.5-124.8 129.3 -25.3 3.0 8.7 17 16 A N E -AB 4 58A 2 41,-1.6 41,-3.0 -2,-0.4 2,-0.3 -0.911 21.1-178.9 -99.5 137.0 -25.3 4.9 11.9 18 17 A E E +AB 3 57A 8 -15,-2.7 -15,-2.4 -2,-0.4 2,-0.3 -0.984 11.3 168.9-133.9 147.5 -22.5 7.5 12.4 19 18 A A E + B 0 56A 3 37,-1.8 37,-2.6 -2,-0.3 -17,-0.1 -0.975 64.3 31.3-147.9 162.2 -21.5 10.0 15.0 20 19 A G > + 0 0 15 -19,-0.4 3,-2.2 -2,-0.3 -1,-0.1 0.863 65.3 165.4 61.4 38.9 -18.4 12.2 15.6 21 20 A T T 3 + 0 0 55 1,-0.3 34,-0.1 34,-0.1 -1,-0.1 0.650 67.4 60.4 -67.3 -13.7 -18.0 12.5 11.9 22 21 A D T 3 S+ 0 0 120 32,-0.1 -1,-0.3 2,-0.0 2,-0.1 0.535 84.3 105.0 -87.0 -7.4 -15.6 15.5 12.3 23 22 A K < - 0 0 74 -3,-2.2 31,-0.1 1,-0.1 30,-0.1 -0.406 67.6-138.6 -79.7 153.3 -13.1 13.4 14.3 24 23 A D S S+ 0 0 166 29,-0.2 2,-0.4 -2,-0.1 -1,-0.1 0.795 83.6 55.8 -83.6 -30.7 -9.9 12.1 12.9 25 24 A T S S- 0 0 52 28,-0.4 30,-2.9 74,-0.0 2,-0.2 -0.879 75.1-149.1-109.8 136.5 -9.7 8.6 14.2 26 25 A S E -c 55 0A 7 -2,-0.4 74,-2.6 72,-0.4 2,-0.4 -0.672 11.6-159.5-107.6 157.4 -12.6 6.1 13.7 27 26 A I E -cd 56 100A 0 28,-2.7 30,-2.8 -2,-0.2 2,-0.6 -0.996 9.4-154.7-130.0 127.1 -14.1 3.2 15.5 28 27 A L E -cd 57 101A 0 72,-2.5 74,-2.7 -2,-0.4 2,-0.5 -0.913 13.6-158.7 -99.6 122.8 -16.2 0.6 13.6 29 28 A L E - d 0 102A 1 28,-2.9 2,-0.6 -2,-0.6 74,-0.2 -0.916 3.8-163.3-110.8 124.9 -18.7 -1.1 16.0 30 29 A L E - d 0 103A 0 72,-3.2 74,-2.6 -2,-0.5 77,-0.1 -0.921 13.3-142.3-114.8 118.4 -20.2 -4.5 15.1 31 30 A H - 0 0 0 -2,-0.6 76,-0.6 28,-0.5 8,-0.1 -0.023 17.0-106.0 -74.8 174.7 -23.3 -5.7 16.9 32 31 A G - 0 0 2 6,-0.2 29,-0.1 74,-0.2 -1,-0.1 0.003 27.7-102.6 -91.4-163.5 -24.3 -9.2 18.1 33 32 A S + 0 0 8 3,-0.0 3,-0.1 2,-0.0 72,-0.0 -0.078 57.7 139.9-123.9 36.0 -26.8 -11.8 16.9 34 33 A G S > S- 0 0 10 1,-0.1 3,-2.2 4,-0.1 2,-0.1 -0.425 71.8 -84.4 -63.9 150.8 -29.8 -11.7 19.1 35 34 A P T 3 S+ 0 0 14 0, 0.0 -1,-0.1 0, 0.0 150,-0.1 -0.410 121.3 16.7 -57.1 135.0 -33.0 -12.1 17.1 36 35 A G T 3 S+ 0 0 19 1,-0.2 -2,-0.1 154,-0.2 149,-0.0 0.599 93.9 163.9 75.6 9.2 -34.0 -8.7 15.8 37 36 A A < + 0 0 7 -3,-2.2 28,-0.6 4,-0.1 2,-0.3 -0.247 5.2 160.9 -58.2 145.9 -30.4 -7.4 16.5 38 37 A N > - 0 0 48 26,-0.1 4,-1.1 1,-0.1 -6,-0.2 -0.929 50.8 -91.4-153.2 178.1 -29.3 -4.2 14.9 39 38 A A H >> S+ 0 0 0 -2,-0.3 4,-2.8 1,-0.2 3,-0.6 0.949 118.8 45.7 -60.7 -52.7 -26.6 -1.6 15.3 40 39 A M H 3> S+ 0 0 48 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.847 104.6 59.7 -67.0 -33.5 -28.5 0.8 17.5 41 40 A S H 34 S+ 0 0 42 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.859 118.2 33.9 -63.2 -31.4 -30.0 -1.8 19.9 42 41 A N H << S+ 0 0 3 -4,-1.1 3,-0.3 -3,-0.6 -2,-0.2 0.889 130.3 29.1 -82.8 -45.2 -26.4 -2.7 20.8 43 42 A W H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -3,-0.2 0.309 77.1 109.5-112.0 9.0 -24.6 0.6 20.5 44 43 A Q T < S+ 0 0 87 -4,-1.9 -1,-0.2 1,-0.2 -3,-0.1 0.726 90.3 40.8 -62.7 -20.7 -27.0 3.4 21.4 45 44 A Y T > S+ 0 0 91 -3,-0.3 4,-0.7 -5,-0.1 -1,-0.2 0.783 116.3 47.4 -93.5 -32.1 -25.2 4.0 24.7 46 45 A A H > S+ 0 0 1 -4,-0.2 4,-2.9 2,-0.1 5,-0.3 0.848 101.8 65.5 -76.6 -36.7 -21.6 3.7 23.5 47 46 A L H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -1,-0.1 0.914 101.7 43.7 -57.1 -53.6 -22.0 5.9 20.4 48 47 A P H 4 S+ 0 0 82 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.878 117.4 48.3 -62.7 -35.0 -22.7 9.3 22.1 49 48 A F H >< S+ 0 0 43 -4,-0.7 3,-1.2 1,-0.2 -2,-0.2 0.955 115.9 40.3 -68.4 -51.9 -19.9 8.6 24.6 50 49 A L H >X S+ 0 0 1 -4,-2.9 4,-2.3 1,-0.2 3,-2.0 0.824 103.8 69.9 -68.1 -30.8 -17.3 7.5 22.1 51 50 A A T 3< S+ 0 0 14 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.632 79.7 76.8 -65.1 -14.3 -18.3 10.2 19.6 52 51 A E T <4 S+ 0 0 114 -3,-1.2 -1,-0.3 -4,-0.4 -2,-0.2 0.756 122.1 6.2 -62.3 -24.4 -16.9 12.9 21.9 53 52 A N T <4 S+ 0 0 77 -3,-2.0 -28,-0.4 -4,-0.2 2,-0.3 0.493 126.0 57.0-136.1 -12.3 -13.5 11.9 20.7 54 53 A Y S < S- 0 0 16 -4,-2.3 2,-0.8 -31,-0.1 -28,-0.2 -0.944 73.3-119.2-131.7 147.8 -13.9 9.3 17.9 55 54 A H E - c 0 26A 22 -30,-2.9 -28,-2.7 -2,-0.3 2,-0.4 -0.767 41.3-156.6 -79.4 109.8 -15.7 9.0 14.5 56 55 A C E -Bc 19 27A 0 -37,-2.6 -37,-1.8 -2,-0.8 2,-0.5 -0.789 17.1-174.5 -98.8 131.7 -18.1 6.1 15.1 57 56 A L E +Bc 18 28A 0 -30,-2.8 -28,-2.9 -2,-0.4 -39,-0.2 -0.991 6.8 173.3-120.4 122.5 -19.5 3.9 12.4 58 57 A A E -B 17 0A 0 -41,-3.0 -41,-1.6 -2,-0.5 2,-0.2 -0.829 11.1-175.5-131.5 93.4 -22.1 1.3 13.5 59 58 A P E -B 16 0A 0 0, 0.0 2,-0.5 0, 0.0 -28,-0.5 -0.543 34.8-109.8 -87.6 154.1 -23.7 -0.5 10.6 60 59 A D - 0 0 2 -45,-2.5 -45,-0.3 -2,-0.2 2,-0.1 -0.718 47.5-120.6 -68.9 126.6 -26.6 -3.0 10.6 61 60 A I > - 0 0 1 -2,-0.5 3,-2.6 1,-0.2 6,-0.3 -0.441 41.3 -77.9 -75.2 147.9 -24.6 -6.2 9.7 62 61 A A T 3 S+ 0 0 0 1,-0.3 6,-0.2 -2,-0.1 -1,-0.2 -0.155 121.1 21.0 -52.5 134.5 -25.8 -7.9 6.5 63 62 A G T 3 S+ 0 0 2 4,-2.4 2,-0.3 1,-0.3 -1,-0.3 0.256 110.3 93.2 90.2 -12.8 -29.0 -9.9 7.1 64 63 A F S X S- 0 0 5 -3,-2.6 3,-2.2 3,-0.3 -1,-0.3 -0.838 91.1 -29.4-112.7 152.9 -29.9 -7.9 10.2 65 64 A G T 3 S- 0 0 15 -28,-0.6 3,-0.2 -2,-0.3 -27,-0.1 -0.133 125.8 -13.9 51.2-126.8 -32.0 -4.8 10.5 66 65 A L T 3 S+ 0 0 115 1,-0.2 -1,-0.3 -51,-0.1 -4,-0.1 0.066 118.7 84.9-100.7 23.8 -32.1 -2.6 7.4 67 66 A S < + 0 0 0 -3,-2.2 -4,-2.4 -6,-0.3 -3,-0.3 -0.317 60.2 171.0-114.7 49.0 -29.1 -4.3 5.8 68 67 A Q - 0 0 46 -6,-0.2 -55,-0.4 -3,-0.2 2,-0.1 -0.336 33.7-119.8 -61.6 135.9 -30.9 -7.1 4.1 69 68 A H - 0 0 21 1,-0.1 -1,-0.1 -57,-0.1 -57,-0.1 -0.439 10.5-133.5 -76.0 151.4 -28.8 -9.1 1.7 70 69 A N S S+ 0 0 88 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.711 99.4 13.9 -79.0 -22.1 -29.8 -9.2 -1.9 71 70 A C S S- 0 0 94 2,-0.0 -1,-0.3 0, 0.0 -60,-0.0 -0.514 84.2-155.8-154.1 70.2 -29.3 -13.0 -2.3 72 71 A P - 0 0 51 0, 0.0 2,-0.1 0, 0.0 7,-0.0 -0.292 9.4-154.3 -61.9 127.7 -29.0 -14.5 1.2 73 72 A P - 0 0 36 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.357 14.5-115.2 -87.5 176.8 -27.1 -17.8 1.2 74 73 A N S S+ 0 0 97 -2,-0.1 123,-0.2 124,-0.1 4,-0.2 -0.888 71.8 59.3-109.6 150.4 -27.4 -20.6 3.7 75 74 A G S > S- 0 0 18 121,-1.8 4,-1.3 -2,-0.3 3,-0.3 0.270 74.6-114.3 106.4 130.8 -24.6 -21.7 6.0 76 75 A T H > S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 3,-0.3 0.886 111.2 59.9 -65.6 -38.1 -22.7 -19.7 8.6 77 76 A S H > S+ 0 0 59 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.888 106.1 49.2 -59.7 -36.7 -19.3 -19.9 6.8 78 77 A H H > S+ 0 0 97 -3,-0.3 4,-1.7 2,-0.2 -1,-0.3 0.815 109.1 51.7 -72.1 -30.4 -20.8 -18.1 3.8 79 78 A W H X S+ 0 0 0 -4,-1.3 4,-3.1 -3,-0.3 -2,-0.2 0.887 105.3 55.7 -72.8 -37.0 -22.4 -15.4 5.9 80 79 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.922 106.1 51.7 -58.7 -42.4 -19.0 -14.8 7.6 81 80 A D H X S+ 0 0 75 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.933 113.1 45.3 -57.4 -46.6 -17.5 -14.3 4.1 82 81 A I H X S+ 0 0 30 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.892 112.1 51.0 -61.7 -44.4 -20.3 -11.7 3.4 83 82 A W H X S+ 0 0 0 -4,-3.1 4,-1.4 2,-0.2 -2,-0.2 0.889 111.4 47.8 -65.1 -40.5 -19.9 -10.0 6.8 84 83 A V H X S+ 0 0 2 -4,-2.6 4,-1.7 -5,-0.2 3,-0.4 0.966 114.2 45.2 -63.3 -52.9 -16.1 -9.6 6.4 85 84 A Q H X S+ 0 0 86 -4,-2.3 4,-3.1 1,-0.2 5,-0.2 0.861 106.8 61.4 -63.4 -34.0 -16.5 -8.2 2.8 86 85 A Q H X S+ 0 0 1 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.914 105.4 46.2 -56.2 -43.6 -19.3 -5.9 4.0 87 86 A Q H X S+ 0 0 0 -4,-1.4 4,-2.5 -3,-0.4 -1,-0.2 0.878 113.1 48.6 -72.5 -35.6 -17.0 -4.1 6.4 88 87 A I H X S+ 0 0 8 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.929 112.3 49.2 -64.8 -45.1 -14.2 -3.7 3.9 89 88 A D H X S+ 0 0 39 -4,-3.1 4,-1.8 2,-0.2 -2,-0.2 0.832 111.4 51.0 -62.4 -33.6 -16.8 -2.4 1.4 90 89 A L H X S+ 0 0 0 -4,-2.0 4,-1.2 -5,-0.2 -2,-0.2 0.943 110.8 46.3 -68.1 -49.9 -18.0 0.0 4.0 91 90 A L H <>S+ 0 0 0 -4,-2.5 5,-2.5 1,-0.2 4,-0.4 0.890 113.6 49.7 -60.5 -38.5 -14.6 1.3 4.9 92 91 A D H ><5S+ 0 0 91 -4,-2.5 3,-1.0 1,-0.2 -1,-0.2 0.908 109.0 52.4 -65.7 -40.3 -13.8 1.7 1.2 93 92 A A H 3<5S+ 0 0 50 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.706 113.2 44.3 -67.6 -23.2 -17.1 3.6 0.6 94 93 A K T 3<5S- 0 0 68 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.384 111.0-120.2-100.8 -0.2 -16.2 6.0 3.5 95 94 A G T < 5 + 0 0 69 -3,-1.0 2,-0.7 -4,-0.4 -3,-0.2 0.771 61.4 149.6 65.4 27.5 -12.6 6.5 2.3 96 95 A I < - 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0 0 9 -3,-1.2 93,-0.1 -4,-0.3 95,-0.1 -0.927 68.9-148.8-121.5 146.7 -28.5 -9.4 31.4 165 164 A F S S+ 0 0 100 -2,-0.4 -1,-0.1 1,-0.3 92,-0.1 0.856 104.7 31.5 -74.8 -38.5 -27.4 -10.6 34.8 166 165 A D S > S- 0 0 67 90,-0.1 3,-1.9 1,-0.1 -1,-0.3 -0.869 73.8-170.7-119.7 95.3 -29.8 -8.1 36.4 167 166 A P G > S+ 0 0 35 0, 0.0 3,-2.1 0, 0.0 4,-0.4 0.722 76.9 76.4 -59.8 -24.3 -32.8 -7.7 34.0 168 167 A S G > S+ 0 0 77 1,-0.3 3,-0.5 2,-0.2 5,-0.1 0.686 78.1 74.1 -61.9 -18.0 -34.1 -4.7 36.0 169 168 A L G < S+ 0 0 78 -3,-1.9 -1,-0.3 1,-0.2 3,-0.1 0.734 88.6 63.3 -65.2 -20.5 -31.4 -2.6 34.4 170 169 A L G < S- 0 0 35 -3,-2.1 2,-0.2 1,-0.3 -1,-0.2 0.865 120.6 -82.8 -71.3 -39.9 -33.5 -2.7 31.3 171 170 A G < - 0 0 31 -3,-0.5 -1,-0.3 -4,-0.4 3,-0.2 -0.830 47.7 -69.2 149.3 174.2 -36.5 -0.9 32.8 172 171 A N S S+ 0 0 177 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.632 118.3 43.2 -73.9 -5.9 -39.5 -1.6 34.9 173 172 A D > + 0 0 87 1,-0.1 4,-1.2 -5,-0.1 -1,-0.2 -0.799 48.8 166.5-145.7 95.9 -41.3 -3.6 32.2 174 173 A I H > S+ 0 0 30 -2,-0.3 4,-2.6 2,-0.2 5,-0.2 0.802 82.3 61.1 -78.3 -30.0 -39.5 -6.3 30.1 175 174 A A H > S+ 0 0 45 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.921 105.7 48.0 -60.3 -44.1 -42.8 -7.7 28.8 176 175 A S H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.873 111.0 50.9 -63.0 -39.3 -43.6 -4.4 27.3 177 176 A I H X S+ 0 0 38 -4,-1.2 4,-1.8 2,-0.2 -2,-0.2 0.897 111.7 46.9 -66.0 -41.8 -40.1 -4.2 25.7 178 177 A A H X S+ 0 0 0 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.892 108.9 56.3 -65.1 -40.9 -40.5 -7.7 24.3 179 178 A A H X S+ 0 0 34 -4,-2.5 4,-0.7 1,-0.2 -2,-0.2 0.890 112.8 40.1 -56.1 -44.0 -44.0 -6.7 23.0 180 179 A Q H < S+ 0 0 149 -4,-1.8 4,-0.5 1,-0.2 -1,-0.2 0.760 116.9 49.0 -80.4 -27.7 -42.6 -3.8 21.0 181 180 A R H X S+ 0 0 86 -4,-1.8 4,-1.5 -5,-0.2 -2,-0.2 0.689 99.8 70.4 -81.5 -18.6 -39.5 -5.6 19.9 182 181 A F H X S+ 0 0 39 -4,-1.7 4,-1.6 1,-0.2 -2,-0.2 0.880 88.2 57.7 -70.7 -43.5 -41.5 -8.6 18.7 183 182 A D H X S+ 0 0 121 -4,-0.7 4,-0.5 1,-0.2 -1,-0.2 0.891 109.2 47.3 -55.0 -42.4 -43.3 -7.1 15.6 184 183 A N H >4 S+ 0 0 57 -4,-0.5 3,-1.0 1,-0.2 -1,-0.2 0.910 108.4 55.8 -64.5 -43.0 -39.9 -6.3 14.1 185 184 A V H 3< S+ 0 0 3 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.810 105.9 51.3 -59.4 -32.4 -38.6 -9.8 14.8 186 185 A M H 3< S+ 0 0 52 -4,-1.6 -1,-0.2 -3,-0.2 -2,-0.2 0.542 80.1 113.5 -91.2 -6.5 -41.4 -11.5 12.9 187 186 A K S XX S- 0 0 87 -3,-1.0 4,-2.9 -4,-0.5 3,-1.7 -0.344 72.5-130.0 -61.3 143.8 -41.2 -9.5 9.7 188 187 A D H 3> S+ 0 0 105 1,-0.3 4,-1.1 2,-0.2 5,-0.4 0.813 110.2 67.0 -63.1 -27.1 -40.1 -11.6 6.7 189 188 A E H 34 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.293 115.7 25.5 -75.5 8.7 -37.5 -8.9 6.2 190 189 A V H <> S+ 0 0 7 -3,-1.7 4,-1.0 -5,-0.1 -2,-0.2 0.485 120.9 50.8-135.2 -38.3 -35.9 -10.0 9.5 191 190 A R H X S+ 0 0 68 -4,-2.9 4,-2.3 2,-0.2 5,-0.2 0.925 101.0 56.0 -75.6 -47.8 -36.7 -13.6 10.0 192 191 A L H X S+ 0 0 98 -4,-1.1 4,-1.2 1,-0.2 -1,-0.2 0.869 110.5 43.7 -60.0 -42.2 -35.8 -15.3 6.7 193 192 A Q H > S+ 0 0 19 -5,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.861 111.0 53.8 -76.3 -31.6 -32.2 -14.1 6.6 194 193 A F H X S+ 0 0 3 -4,-1.0 4,-1.0 1,-0.2 -2,-0.2 0.914 108.4 51.3 -64.9 -41.7 -31.6 -14.9 10.3 195 194 A E H < S+ 0 0 69 -4,-2.3 -1,-0.2 1,-0.2 3,-0.2 0.854 109.3 51.4 -60.8 -34.7 -32.8 -18.5 9.7 196 195 A A H >< S+ 0 0 7 -4,-1.2 -121,-1.8 -5,-0.2 3,-0.9 0.804 101.4 61.3 -74.7 -30.1 -30.4 -18.7 6.8 197 196 A M H 3< S+ 0 0 0 -4,-1.6 -1,-0.2 1,-0.2 -118,-0.2 0.821 118.7 25.5 -63.9 -36.7 -27.4 -17.6 8.8 198 197 A F T >< S+ 0 0 7 -4,-1.0 3,-1.9 -3,-0.2 -1,-0.2 -0.088 79.6 128.9-123.7 33.6 -27.5 -20.5 11.2 199 198 A S T < + 0 0 59 -3,-0.9 -1,-0.1 1,-0.3 -2,-0.1 0.693 69.5 62.0 -63.8 -21.7 -29.3 -23.1 9.1 200 199 A G T 3 S- 0 0 41 1,-0.3 4,-0.4 -3,-0.2 -1,-0.3 0.535 116.8-107.9 -82.0 -6.0 -26.6 -25.6 9.9 201 200 A G <> - 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