==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-NOV-00 1G5F . COMPND 2 MOLECULE: 1,3,4,6-TETRACHLORO-1,4-CYCLOHEXADIENE HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SPHINGOMONAS PAUCIMOBILIS; . AUTHOR A.J.OAKLEY,Z.PROKOP,M.BOHAC,J.KMUNICEK,T.JEDLICKA, . 294 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11260.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 13 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 2 0.7 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 . 16 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.7 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 3 1 0 1 1 0 1 0 1 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 1 1 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 PARALLEL BRIDGES PER LADDER . 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 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 L 0 0 121 0, 0.0 2,-0.2 0, 0.0 273,-0.0 0.000 360.0 360.0 360.0-145.6 19.7 32.7 8.2 2 4 A G - 0 0 31 1,-0.1 43,-0.1 0, 0.0 42,-0.0 -0.505 360.0-137.8 148.5 142.6 17.1 32.4 5.5 3 5 A A S S+ 0 0 33 -2,-0.2 -1,-0.1 2,-0.1 41,-0.1 0.508 71.0 108.0 -99.0 -6.8 13.4 31.8 5.0 4 6 A K S S- 0 0 132 1,-0.1 180,-0.0 40,-0.0 179,-0.0 -0.514 71.7-118.4 -75.3 135.2 13.8 29.4 2.1 5 7 A P - 0 0 57 0, 0.0 2,-0.7 0, 0.0 -1,-0.1 -0.248 24.7-108.7 -67.8 163.4 13.1 25.7 2.8 6 8 A F S S- 0 0 42 34,-0.1 37,-0.1 2,-0.0 39,-0.1 -0.835 78.6 -31.0 -95.9 114.2 15.7 22.9 2.5 7 9 A G S S- 0 0 21 -2,-0.7 2,-0.3 15,-0.1 17,-0.1 0.006 90.4 -58.9 69.2 179.5 14.9 20.8 -0.5 8 10 A E - 0 0 131 15,-0.1 15,-0.4 1,-0.0 2,-0.3 -0.698 54.5-104.8 -99.5 150.3 11.5 20.0 -2.0 9 11 A K - 0 0 55 -2,-0.3 2,-0.3 13,-0.1 13,-0.2 -0.596 33.1-161.0 -80.3 132.4 8.7 18.3 -0.1 10 12 A K E -A 21 0A 77 11,-3.2 11,-2.1 -2,-0.3 2,-0.4 -0.798 5.6-147.2-109.1 154.3 8.0 14.6 -0.9 11 13 A F E +A 20 0A 103 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.952 17.2 173.5-127.8 145.9 4.8 12.7 -0.1 12 14 A I E -A 19 0A 46 7,-1.9 7,-2.7 -2,-0.4 2,-0.4 -0.993 33.5-114.1-147.8 140.2 4.0 9.2 0.8 13 15 A E E +A 18 0A 128 -2,-0.3 2,-0.4 5,-0.2 5,-0.3 -0.635 34.1 179.0 -80.7 130.4 0.8 7.5 1.9 14 16 A I E > -A 17 0A 11 3,-4.3 3,-2.7 -2,-0.4 76,-0.1 -0.988 68.4 -19.9-134.4 121.9 0.7 6.1 5.4 15 17 A K T 3 S- 0 0 119 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.863 129.0 -50.6 49.6 40.1 -2.3 4.4 7.0 16 18 A G T 3 S+ 0 0 56 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.390 123.2 99.4 82.5 -4.6 -4.5 6.0 4.4 17 19 A R E < S-A 14 0A 50 -3,-2.7 -3,-4.3 51,-0.1 2,-0.5 -0.854 72.8-121.7-115.5 151.7 -3.1 9.5 5.0 18 20 A R E -A 13 0A 122 -2,-0.3 50,-3.4 -5,-0.3 2,-0.4 -0.793 27.9-166.3 -94.4 127.9 -0.5 11.4 3.0 19 21 A M E -A 12 0A 0 -7,-2.7 -7,-1.9 -2,-0.5 2,-0.3 -0.911 9.0-140.9-115.3 143.5 2.6 12.5 5.0 20 22 A A E +A 11 0A 0 -2,-0.4 40,-2.9 40,-0.3 2,-0.3 -0.769 27.7 155.5-104.8 148.9 5.2 15.1 3.8 21 23 A Y E -AB 10 59A 25 -11,-2.1 -11,-3.2 -2,-0.3 2,-0.4 -0.988 37.8-119.0-163.6 161.7 8.9 15.0 4.3 22 24 A I E + B 0 58A 3 36,-2.6 36,-2.1 -2,-0.3 2,-0.3 -0.888 28.9 174.1-107.2 139.0 12.3 16.1 3.0 23 25 A D E + B 0 57A 25 -15,-0.4 2,-0.4 -2,-0.4 34,-0.2 -0.836 8.0 165.9-149.9 103.2 14.8 13.5 1.9 24 26 A E E + B 0 56A 62 32,-2.6 32,-2.9 -2,-0.3 2,-0.1 -0.969 43.0 3.0-126.7 139.7 18.0 14.6 0.2 25 27 A G S S- 0 0 58 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.346 74.3 -91.2 88.8-171.7 21.2 12.8 -0.5 26 28 A T + 0 0 125 28,-0.3 2,-0.2 -2,-0.1 26,-0.0 -0.931 70.0 51.5-142.1 164.8 22.2 9.1 -0.0 27 29 A G S S- 0 0 45 -2,-0.3 27,-0.1 27,-0.2 26,-0.0 -0.683 97.1 -5.0 106.8-163.6 23.8 6.9 2.5 28 30 A D S S- 0 0 67 -2,-0.2 27,-1.9 25,-0.1 72,-0.1 -0.409 84.1-106.6 -67.1 140.8 23.0 6.5 6.2 29 31 A P E -c 55 0A 1 0, 0.0 72,-2.3 0, 0.0 2,-0.6 -0.325 19.0-160.1 -75.8 150.5 20.3 8.9 7.4 30 32 A I E -cd 56 101A 0 25,-2.6 27,-2.3 70,-0.2 2,-0.7 -0.975 27.4-157.8-122.5 103.1 20.6 11.9 9.6 31 33 A L E -cd 57 102A 0 70,-3.2 72,-3.0 -2,-0.6 2,-0.5 -0.815 8.7-165.0 -97.5 111.2 16.9 12.2 10.8 32 34 A F E -cd 58 103A 0 25,-3.3 27,-0.7 -2,-0.7 2,-0.5 -0.821 6.3-169.7 -96.8 122.5 15.7 15.6 12.0 33 35 A Q E -cd 59 104A 0 70,-2.8 72,-1.2 -2,-0.5 75,-0.2 -0.928 4.9-155.8-122.6 117.5 12.4 15.6 13.9 34 36 A H - 0 0 0 25,-0.5 2,-0.1 -2,-0.5 6,-0.1 -0.188 6.6-155.4 -76.9 171.6 10.5 18.8 14.8 35 37 A G > + 0 0 0 72,-0.2 3,-1.1 4,-0.2 71,-0.1 -0.160 43.5 2.7-123.4-143.7 8.1 19.3 17.6 36 38 A N T 3 S- 0 0 2 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.793 122.1 -7.1-101.1 135.1 5.1 21.7 18.4 37 39 A P T 3 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 165,-0.1 -0.558 116.9 80.2-108.6 50.6 4.0 23.8 16.6 38 40 A T < - 0 0 3 -3,-1.1 27,-0.3 26,-0.1 2,-0.3 0.004 52.4-155.2 -99.8-157.7 6.7 23.5 13.9 39 41 A S > - 0 0 8 25,-0.1 3,-2.1 21,-0.1 4,-0.3 -0.868 54.7 -59.0-161.0-169.2 7.5 21.3 10.9 40 42 A S G > S+ 0 0 2 1,-0.3 3,-2.0 -2,-0.3 4,-0.2 0.771 121.6 78.6 -56.3 -25.0 10.5 20.2 8.8 41 43 A Y G > S+ 0 0 20 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.781 76.2 73.3 -54.3 -30.7 10.9 23.9 8.1 42 44 A L G < S+ 0 0 2 -3,-2.1 3,-0.3 1,-0.3 -1,-0.3 0.778 98.3 46.2 -56.2 -29.6 12.5 24.3 11.6 43 45 A W G X> S+ 0 0 0 -3,-2.0 4,-2.8 -4,-0.3 3,-1.8 0.375 76.5 111.5 -97.7 4.8 15.6 22.6 10.3 44 46 A R T <4 S+ 0 0 6 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.789 85.2 37.6 -49.8 -37.9 16.0 24.5 7.0 45 47 A N T 34 S+ 0 0 28 -3,-0.3 -1,-0.3 -4,-0.3 236,-0.1 0.433 119.2 49.6 -96.6 1.8 19.2 26.4 8.0 46 48 A I T X4 S+ 0 0 1 -3,-1.8 3,-1.2 2,-0.1 4,-0.4 0.785 97.8 62.3-104.4 -42.3 20.7 23.5 10.0 47 49 A M G >< S+ 0 0 0 -4,-2.8 3,-1.9 1,-0.2 -3,-0.1 0.827 92.3 67.4 -56.6 -34.6 20.4 20.6 7.5 48 50 A P G > S+ 0 0 54 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.851 90.4 63.7 -56.1 -35.3 22.7 22.3 5.0 49 51 A H G < S+ 0 0 63 -3,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.673 98.6 55.9 -63.3 -17.4 25.7 21.9 7.4 50 52 A C G X S+ 0 0 0 -3,-1.9 3,-2.4 -4,-0.4 4,-0.3 0.252 75.4 143.0 -98.8 11.7 25.4 18.2 7.0 51 53 A A T < S+ 0 0 66 -3,-1.9 4,-0.1 1,-0.3 -26,-0.0 -0.248 73.5 12.8 -53.0 135.0 25.7 18.2 3.3 52 54 A G T 3 S+ 0 0 82 2,-0.3 -1,-0.3 1,-0.1 3,-0.1 0.456 102.2 97.6 76.7 1.0 27.7 15.2 2.1 53 55 A L S < S- 0 0 27 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.491 96.5 -68.0 -98.3 -4.9 27.5 13.4 5.5 54 56 A G S S- 0 0 10 -4,-0.3 2,-0.8 -27,-0.1 -2,-0.3 -0.982 79.3 -23.3 153.5-163.5 24.6 11.2 4.5 55 57 A R E - c 0 29A 40 -27,-1.9 -25,-2.6 -2,-0.3 2,-0.7 -0.755 58.6-148.3 -86.5 111.2 20.9 11.1 3.7 56 58 A L E +Bc 24 30A 6 -32,-2.9 -32,-2.6 -2,-0.8 2,-0.4 -0.737 22.4 177.5 -88.6 115.5 19.2 14.2 5.2 57 59 A I E +Bc 23 31A 0 -27,-2.3 -25,-3.3 -2,-0.7 2,-0.3 -0.943 16.8 173.6-124.5 139.4 15.6 13.6 6.2 58 60 A A E -Bc 22 32A 0 -36,-2.1 -36,-2.6 -2,-0.4 2,-0.3 -0.904 16.4-160.6-144.6 109.8 13.0 15.8 7.9 59 61 A C E -Bc 21 33A 0 -27,-0.7 2,-0.6 -2,-0.3 -25,-0.5 -0.688 15.9-132.5 -95.8 145.8 9.5 14.5 8.4 60 62 A D - 0 0 0 -40,-2.9 -40,-0.3 -2,-0.3 3,-0.1 -0.855 32.3-122.5 -94.4 119.4 6.3 16.6 9.0 61 63 A L > - 0 0 1 -2,-0.6 3,-2.2 1,-0.1 6,-0.3 -0.164 44.4 -76.7 -56.7 155.6 4.4 15.0 11.8 62 64 A I T 3 S+ 0 0 1 1,-0.3 -1,-0.1 21,-0.2 7,-0.1 -0.257 121.5 15.8 -56.6 138.0 0.8 14.0 11.0 63 65 A G T 3 S+ 0 0 0 5,-2.1 2,-0.3 1,-0.2 -1,-0.3 0.481 115.7 90.9 76.6 2.3 -1.5 17.0 10.9 64 66 A M S X S- 0 0 0 -3,-2.2 3,-2.4 4,-0.2 -44,-0.3 -0.834 84.0 -5.9-127.4 164.1 1.5 19.3 10.8 65 67 A G T 3 S- 0 0 12 -27,-0.3 -26,-0.1 -2,-0.3 -44,-0.0 -0.281 129.3 -26.8 54.3-131.6 3.5 20.9 8.0 66 68 A D T 3 S+ 0 0 66 -46,-0.0 -1,-0.3 2,-0.0 2,-0.1 0.296 109.5 115.8 -96.8 9.5 2.4 19.6 4.7 67 69 A S S < S- 0 0 6 -3,-2.4 -48,-0.2 -6,-0.3 -6,-0.1 -0.470 75.8 -90.3 -78.6 151.6 1.2 16.3 6.1 68 70 A D - 0 0 50 -50,-3.4 -5,-2.1 -2,-0.1 2,-0.2 -0.166 36.5-119.3 -59.5 151.7 -2.5 15.4 6.0 69 71 A K - 0 0 65 -7,-0.1 2,-0.4 -6,-0.1 -51,-0.1 -0.576 28.3-116.8 -86.5 154.3 -4.9 16.4 8.7 70 72 A L - 0 0 2 -2,-0.2 7,-0.1 -8,-0.1 3,-0.1 -0.761 37.6-124.1 -92.8 140.1 -6.7 13.6 10.5 71 73 A D S S+ 0 0 98 -2,-0.4 2,-0.1 1,-0.3 3,-0.0 -0.997 87.4 30.8-144.8 139.9 -10.5 13.6 10.2 72 74 A P S S- 0 0 109 0, 0.0 2,-0.3 0, 0.0 -1,-0.3 0.475 89.0-168.0 -72.4 143.8 -12.8 13.6 12.0 73 75 A S + 0 0 29 -2,-0.1 124,-0.1 4,-0.1 125,-0.1 -0.700 19.7 133.0-101.9 154.4 -10.7 15.6 14.4 74 76 A G > - 0 0 16 -2,-0.3 3,-1.7 123,-0.1 0, 0.0 -0.944 67.7 -55.3-172.9-169.8 -11.4 16.3 18.1 75 77 A P T 3 S+ 0 0 80 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.715 129.3 51.4 -59.6 -24.5 -10.2 16.4 21.7 76 78 A E T 3 S+ 0 0 178 3,-0.0 3,-0.4 2,-0.0 2,-0.2 0.465 94.7 94.1 -93.3 -2.8 -9.2 12.7 21.5 77 79 A R S < S+ 0 0 55 -3,-1.7 -4,-0.1 1,-0.2 127,-0.0 -0.576 76.4 24.8 -93.6 154.2 -7.2 13.1 18.3 78 80 A Y S S+ 0 0 0 -2,-0.2 -1,-0.2 1,-0.2 2,-0.1 0.760 75.5 157.5 69.5 28.9 -3.4 13.8 17.9 79 81 A A > - 0 0 27 -3,-0.4 4,-2.2 1,-0.1 3,-0.5 -0.353 59.6 -98.8 -75.1 165.8 -2.3 12.2 21.2 80 82 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.902 123.4 55.5 -51.9 -46.9 1.3 11.1 21.4 81 83 A A H > S+ 0 0 34 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.867 108.3 48.1 -56.3 -39.9 0.3 7.4 20.8 82 84 A E H > S+ 0 0 39 -3,-0.5 4,-1.8 2,-0.2 -1,-0.2 0.922 110.8 49.9 -69.3 -43.8 -1.4 8.4 17.5 83 85 A H H X S+ 0 0 1 -4,-2.2 4,-2.8 1,-0.2 5,-0.2 0.882 109.1 54.1 -60.8 -37.9 1.6 10.5 16.3 84 86 A R H X S+ 0 0 57 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.890 104.1 54.4 -64.3 -40.1 3.8 7.5 17.2 85 87 A D H X S+ 0 0 87 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.914 114.4 40.2 -61.3 -43.0 1.8 5.1 15.0 86 88 A Y H X S+ 0 0 17 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.926 117.4 46.7 -72.9 -44.7 2.1 7.4 12.0 87 89 A L H X S+ 0 0 3 -4,-2.8 4,-2.9 2,-0.2 5,-0.2 0.896 111.1 52.7 -64.7 -39.6 5.7 8.4 12.5 88 90 A D H X S+ 0 0 39 -4,-2.8 4,-1.5 -5,-0.2 -1,-0.2 0.926 112.1 46.2 -59.7 -45.4 6.7 4.7 13.1 89 91 A A H X S+ 0 0 32 -4,-1.5 4,-2.1 -5,-0.3 -2,-0.2 0.869 113.3 48.8 -66.0 -39.1 5.0 3.7 9.9 90 92 A L H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.942 110.8 49.3 -66.8 -47.8 6.6 6.6 7.9 91 93 A W H <>S+ 0 0 1 -4,-2.9 5,-0.7 1,-0.2 4,-0.2 0.810 111.9 50.2 -62.4 -28.7 10.1 5.9 9.2 92 94 A E H ><5S+ 0 0 127 -4,-1.5 3,-1.3 -5,-0.2 -1,-0.2 0.911 109.2 51.3 -73.8 -42.5 9.6 2.2 8.3 93 95 A A H 3<5S+ 0 0 50 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.793 101.2 62.4 -64.8 -29.1 8.5 3.1 4.8 94 96 A L T 3<5S- 0 0 8 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.566 101.3-132.6 -75.9 -8.2 11.6 5.3 4.3 95 97 A D T < 5 + 0 0 131 -3,-1.3 -3,-0.1 -4,-0.2 -2,-0.1 0.977 33.7 177.5 53.1 67.5 13.9 2.3 4.6 96 98 A L < - 0 0 4 -5,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.671 22.8-146.8 -75.6 -21.7 16.4 4.0 7.0 97 99 A G - 0 0 32 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.395 35.2 -64.5 84.2-165.4 18.7 1.1 7.6 98 100 A D S S+ 0 0 102 1,-0.2 -1,-0.2 -2,-0.1 -70,-0.0 0.145 115.6 66.2-114.7 20.9 20.5 0.3 10.9 99 101 A R + 0 0 89 -3,-0.4 2,-0.3 24,-0.1 24,-0.2 -0.513 67.1 162.0-136.8 65.2 22.9 3.2 11.4 100 102 A V E - e 0 123A 0 22,-3.2 24,-2.4 -3,-0.2 25,-1.3 -0.698 28.5-154.0 -91.8 135.8 20.6 6.2 11.9 101 103 A V E -de 30 125A 0 -72,-2.3 -70,-3.2 -2,-0.3 2,-0.4 -0.948 16.1-153.2-108.2 121.9 21.6 9.5 13.5 102 104 A L E -de 31 126A 0 23,-2.5 25,-3.6 -2,-0.6 2,-0.5 -0.797 13.0-171.9 -98.6 137.2 18.7 11.2 15.2 103 105 A V E +de 32 127A 0 -72,-3.0 -70,-2.8 -2,-0.4 2,-0.3 -0.970 24.9 176.6-126.5 109.6 18.5 15.0 15.6 104 106 A V E -de 33 128A 1 23,-2.9 25,-1.1 -2,-0.5 2,-0.3 -0.794 21.1-180.0-124.9 163.0 15.5 15.9 17.8 105 107 A H E > - e 0 129A 0 -72,-1.2 3,-2.3 -2,-0.3 4,-0.5 -0.984 57.2 -31.0-155.9 142.6 13.7 18.8 19.5 106 108 A D E >> S- e 0 131A 15 24,-2.2 3,-1.8 23,-0.8 4,-1.3 -0.124 132.2 -2.4 48.3-131.4 10.6 19.2 21.7 107 109 A W H 3> S+ 0 0 4 1,-0.3 4,-2.2 2,-0.2 -1,-0.3 0.754 131.2 66.5 -62.4 -21.0 8.0 16.6 20.9 108 110 A G H <> S+ 0 0 0 -3,-2.3 4,-2.3 1,-0.2 -1,-0.3 0.801 100.7 50.3 -68.2 -26.5 10.3 15.3 18.2 109 111 A S H <> S+ 0 0 0 -3,-1.8 4,-3.4 -4,-0.5 5,-0.3 0.870 107.3 51.2 -78.2 -38.7 12.6 14.3 21.0 110 112 A A H X S+ 0 0 0 -4,-1.3 4,-1.8 2,-0.2 -2,-0.2 0.942 117.2 40.9 -61.8 -45.7 9.9 12.4 22.9 111 113 A L H X S+ 0 0 4 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.923 118.8 46.1 -66.8 -46.4 9.0 10.5 19.7 112 114 A G H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.877 111.6 50.2 -65.7 -40.4 12.7 10.1 18.7 113 115 A F H X S+ 0 0 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26.8 133 135 A A - 0 0 0 -2,-1.0 -1,-0.2 1,-0.1 96,-0.1 0.579 59.7 -6.8 -83.1 -11.4 13.9 14.1 28.4 134 136 A M S S- 0 0 20 -3,-0.1 -1,-0.1 76,-0.1 89,-0.1 -0.977 86.4 -72.2-172.2 166.2 11.9 12.9 31.4 135 137 A P - 0 0 33 0, 0.0 2,-0.2 0, 0.0 76,-0.2 -0.472 57.6-165.6 -68.6 144.3 8.6 13.4 33.2 136 138 A I B -h 211 0B 5 74,-2.7 76,-2.6 -2,-0.1 77,-0.4 -0.753 18.5-124.6-128.8 176.1 8.5 16.7 35.1 137 139 A E >> - 0 0 102 74,-0.2 3,-1.6 -2,-0.2 4,-0.5 -0.704 38.1-103.4-111.8 166.8 6.6 18.6 37.8 138 140 A W G >4 S+ 0 0 61 1,-0.3 3,-1.3 -2,-0.2 -1,-0.1 0.850 121.2 62.6 -60.9 -32.1 5.1 22.1 37.4 139 141 A A G 34 S+ 0 0 79 1,-0.3 -1,-0.3 7,-0.0 4,-0.1 0.694 100.5 54.8 -65.5 -17.5 8.0 23.6 39.3 140 142 A D G <4 S+ 0 0 29 -3,-1.6 -1,-0.3 2,-0.1 108,-0.2 0.590 89.1 94.8 -89.5 -14.1 10.3 22.3 36.4 141 143 A F S << S- 0 0 11 -3,-1.3 5,-0.2 -4,-0.5 105,-0.1 -0.627 96.5 -87.0 -82.6 135.9 8.3 24.1 33.8 142 144 A P >> - 0 0 22 0, 0.0 3,-0.9 0, 0.0 4,-0.9 -0.094 36.7-136.2 -41.8 124.6 9.5 27.6 32.7 143 145 A E H >> S+ 0 0 154 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.851 98.4 55.3 -55.4 -42.2 7.9 30.1 35.1 144 146 A Q H 34 S+ 0 0 152 1,-0.2 4,-0.2 2,-0.1 -1,-0.2 0.771 117.0 35.4 -66.8 -25.7 6.9 32.7 32.4 145 147 A D H <> S+ 0 0 19 -3,-0.9 4,-2.3 1,-0.1 5,-0.2 0.410 90.2 97.9-107.6 0.8 4.9 30.1 30.4 146 148 A R H S+ 0 0 28 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.902 110.7 46.5 -59.5 -44.1 -0.4 29.6 29.8 149 151 A F H X S+ 0 0 13 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.818 109.1 54.1 -71.5 -27.5 0.3 25.9 29.5 150 152 A Q H < S+ 0 0 75 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.905 108.9 51.6 -69.2 -35.8 -1.9 25.1 32.5 151 153 A A H >< S+ 0 0 26 -4,-2.1 3,-1.3 1,-0.2 6,-0.6 0.880 105.2 53.1 -65.4 -41.0 -4.6 27.0 30.5 152 154 A F H 3< S+ 0 0 0 -4,-2.0 2,-0.3 1,-0.3 -1,-0.2 0.896 105.8 56.9 -60.0 -38.1 -4.0 24.9 27.4 153 155 A R T 3< S+ 0 0 53 -4,-1.7 -1,-0.3 -5,-0.1 2,-0.3 -0.088 106.5 62.8 -85.0 35.3 -4.5 21.9 29.7 154 156 A S S X S- 0 0 46 -3,-1.3 3,-1.9 -2,-0.3 4,-0.3 -0.839 106.8 -82.8-144.3-179.8 -7.9 23.3 30.7 155 157 A Q T 3 S+ 0 0 173 1,-0.3 3,-0.4 -2,-0.3 4,-0.4 0.632 121.7 68.6 -66.2 -12.0 -11.3 24.0 29.0 156 158 A A T 3> S+ 0 0 42 -5,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.622 77.6 86.0 -80.8 -13.2 -9.8 27.3 27.9 157 159 A G H <> S+ 0 0 0 -3,-1.9 4,-3.0 -6,-0.6 5,-0.5 0.874 80.5 56.6 -55.3 -45.5 -7.5 25.6 25.6 158 160 A E H >>S+ 0 0 46 -3,-0.4 5,-1.7 -4,-0.3 4,-0.9 0.919 111.1 43.3 -55.8 -46.4 -9.8 25.3 22.6 159 161 A E H 4>S+ 0 0 113 -4,-0.4 5,-2.0 3,-0.2 -1,-0.2 0.929 115.5 48.8 -65.9 -45.3 -10.4 29.1 22.5 160 162 A L H <5S+ 0 0 40 -4,-2.1 6,-2.3 3,-0.2 -2,-0.2 0.930 130.1 17.0 -58.8 -48.4 -6.7 29.9 23.0 161 163 A V H X5S+ 0 0 0 -4,-3.0 4,-1.8 4,-0.3 -3,-0.2 0.932 128.4 40.3 -94.0 -59.4 -5.5 27.5 20.3 162 164 A L T <5S+ 0 0 16 -4,-0.9 34,-2.2 -5,-0.5 -3,-0.2 0.906 130.2 29.2 -61.7 -41.3 -8.3 26.4 17.9 163 165 A Q T 4> + 0 0 13 -6,-2.3 4,-2.3 1,-0.2 5,-2.1 0.829 66.1 57.1 -58.0 -37.2 -2.0 31.1 20.4 167 169 A F H 4>S+ 0 0 10 3,-0.2 5,-2.1 2,-0.2 -1,-0.2 0.930 116.5 35.1 -63.8 -41.5 0.7 28.4 20.1 168 170 A V H 45S+ 0 0 0 -3,-0.3 -2,-0.2 3,-0.2 -1,-0.2 0.926 127.8 34.6 -76.3 -47.2 1.7 29.5 16.6 169 171 A E H <5S+ 0 0 76 -4,-2.7 -3,-0.2 -5,-0.1 -2,-0.2 0.693 133.8 18.5 -85.3 -20.4 1.2 33.3 16.9 170 172 A Q T X5S+ 0 0 109 -4,-2.3 4,-1.9 -5,-0.3 -3,-0.2 0.773 124.6 41.4-115.0 -57.1 2.3 33.8 20.5 171 173 A V H >44 S+ 0 0 47 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.870 113.2 62.1 -66.5 -34.5 7.7 34.0 18.4 174 176 A G H 3< S+ 0 0 53 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.747 104.6 47.5 -62.7 -23.9 7.8 34.5 22.2 175 177 A L T << S+ 0 0 11 -4,-1.4 95,-1.6 -3,-0.7 96,-1.4 0.043 96.5 82.6-107.7 25.2 10.4 31.7 22.5 176 178 A I < - 0 0 12 -3,-1.6 4,-0.1 93,-0.1 96,-0.1 -0.999 65.6-152.9-127.0 127.0 12.7 32.9 19.7 177 179 A L S S+ 0 0 100 -2,-0.4 -1,-0.1 94,-0.1 98,-0.1 0.836 75.7 60.1 -71.8 -35.1 15.2 35.7 20.6 178 180 A R S S- 0 0 47 1,-0.1 2,-0.2 96,-0.0 96,-0.0 -0.683 95.5 -97.9 -97.6 150.7 15.6 37.2 17.2 179 181 A P - 0 0 117 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.443 36.3-136.3 -67.5 131.2 12.8 38.8 15.1 180 182 A L - 0 0 35 -2,-0.2 2,-0.1 -4,-0.1 -4,-0.0 -0.520 18.5-119.0 -84.3 155.1 11.3 36.5 12.5 181 183 A S > - 0 0 51 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.407 26.1-105.8 -88.8 169.4 10.5 37.8 9.0 182 184 A E H > S+ 0 0 177 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.913 121.3 52.5 -59.0 -42.6 7.1 37.9 7.3 183 185 A A H > S+ 0 0 53 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.888 108.0 49.8 -61.6 -42.9 8.1 34.9 5.2 184 186 A E H > S+ 0 0 5 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.908 112.3 46.2 -65.6 -42.8 9.2 32.7 8.1 185 187 A M H X S+ 0 0 23 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.866 109.4 56.5 -68.3 -32.8 6.0 33.3 10.1 186 188 A A H X S+ 0 0 42 -4,-2.1 4,-1.5 -5,-0.2 -1,-0.2 0.898 106.6 49.5 -63.7 -39.8 4.0 32.6 6.9 187 189 A A H < S+ 0 0 25 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.872 112.6 47.8 -67.5 -36.2 5.7 29.2 6.6 188 190 A Y H < S+ 0 0 3 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.843 116.2 41.1 -75.3 -33.1 4.9 28.4 10.2 189 191 A R H >< S+ 0 0 72 -4,-2.3 3,-2.0 1,-0.2 -1,-0.2 0.664 89.9 91.2 -89.3 -14.1 1.2 29.4 10.2 190 192 A E G >< S+ 0 0 117 -4,-1.5 3,-0.9 1,-0.3 4,-0.2 0.828 85.7 49.9 -48.8 -41.8 0.5 27.9 6.8 191 193 A P G 3 S+ 0 0 22 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 0.672 118.9 40.9 -73.6 -12.4 -0.6 24.5 8.2 192 194 A F G < S+ 0 0 1 -3,-2.0 -2,-0.2 -4,-0.1 7,-0.1 -0.054 71.3 120.7-127.0 33.0 -2.9 26.4 10.6 193 195 A L < + 0 0 112 -3,-0.9 2,-0.4 5,-0.1 -1,-0.1 0.830 65.0 72.1 -66.0 -33.2 -4.5 29.2 8.6 194 196 A A S S- 0 0 60 -4,-0.2 5,-0.2 -3,-0.1 4,-0.1 -0.715 84.0-127.8 -90.4 131.7 -8.0 27.9 9.3 195 197 A A S S+ 0 0 66 -2,-0.4 2,-0.3 3,-0.1 3,-0.3 -0.366 73.6 37.2 -69.4 155.1 -9.5 28.2 12.7 196 198 A G S > S- 0 0 26 -34,-2.2 3,-2.0 1,-0.2 4,-0.2 -0.752 117.7 -5.4 108.3-153.5 -10.9 25.0 14.2 197 199 A E G > S+ 0 0 67 -2,-0.3 3,-1.6 1,-0.3 -1,-0.2 0.659 114.8 77.2 -57.4 -20.3 -9.7 21.4 14.1 198 200 A A G 3 S+ 0 0 24 1,-0.3 -1,-0.3 -3,-0.3 -3,-0.1 0.827 99.8 45.3 -59.7 -29.3 -6.8 22.2 11.7 199 201 A R G X S+ 0 0 26 -3,-2.0 3,-1.3 -5,-0.2 4,-0.4 0.402 82.4 105.9 -93.2 0.5 -5.0 23.7 14.7 200 202 A R T X> S+ 0 0 6 -3,-1.6 4,-2.9 1,-0.3 3,-1.6 0.827 70.1 61.5 -51.6 -38.8 -5.9 20.7 16.9 201 203 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.857 100.1 55.7 -59.6 -32.0 -2.3 19.2 16.9 202 204 A T H <4 S+ 0 0 0 -3,-1.3 -2,-0.2 1,-0.2 -3,-0.1 0.581 114.7 38.7 -77.3 -8.4 -1.0 22.4 18.5 203 205 A L H <> S+ 0 0 0 -3,-1.6 4,-1.2 -4,-0.4 -1,-0.2 0.726 111.2 55.3-105.9 -39.2 -3.4 22.0 21.4 204 206 A S H < S+ 0 0 6 -4,-2.9 4,-0.5 1,-0.2 -124,-0.2 0.861 102.9 60.9 -63.3 -33.9 -3.3 18.2 21.8 205 207 A W T >X S+ 0 0 0 -4,-1.6 3,-1.7 -5,-0.3 4,-0.7 0.946 102.9 45.5 -61.6 -52.4 0.5 18.4 22.2 206 208 A P G >4 S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.819 109.6 57.7 -63.4 -24.7 0.7 20.6 25.3 207 209 A R G 3< S+ 0 0 51 -4,-1.2 -2,-0.2 1,-0.2 -3,-0.1 0.605 104.8 53.5 -77.9 -9.2 -2.0 18.4 26.8 208 210 A Q G <4 S+ 0 0 26 -3,-1.7 -1,-0.2 -4,-0.5 -3,-0.1 0.555 74.6 119.8-100.6 -11.7 0.3 15.4 26.4 209 211 A I S << S- 0 0 12 -4,-0.7 2,-1.7 -3,-0.5 5,-0.1 -0.334 74.5-117.1 -57.2 128.6 3.4 16.8 28.1 210 212 A P + 0 0 2 0, 0.0 -74,-2.7 0, 0.0 2,-0.4 -0.516 57.3 152.7 -72.6 88.5 4.2 14.5 31.0 211 213 A I B > -hI 136 214B 1 3,-2.0 3,-2.0 -2,-1.7 -74,-0.2 -0.979 63.5 -11.7-124.5 132.0 3.7 16.9 33.9 212 214 A A T 3 S- 0 0 47 -76,-2.6 -1,-0.1 -2,-0.4 -75,-0.1 0.842 128.3 -52.7 50.8 40.1 2.7 16.0 37.5 213 215 A G T 3 S+ 0 0 43 -77,-0.4 -1,-0.3 1,-0.1 6,-0.1 0.375 100.2 147.4 82.7 -3.8 1.8 12.5 36.5 214 216 A T B < +I 211 0B 83 -3,-2.0 -3,-2.0 1,-0.2 -1,-0.1 -0.971 56.6 26.3-126.9 136.8 -0.6 13.3 33.6 215 217 A P S > S- 0 0 18 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.511 78.8-156.0 -79.5 145.4 -1.1 11.9 31.1 216 218 A A H > S+ 0 0 73 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.831 87.3 53.3 -55.7 -40.0 -0.2 8.6 32.7 217 219 A D H > S+ 0 0 76 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.920 112.6 42.8 -67.1 -41.3 0.7 6.8 29.4 218 220 A V H > S+ 0 0 3 2,-0.2 4,-2.9 -3,-0.2 5,-0.3 0.860 111.3 56.1 -72.0 -34.1 3.1 9.5 28.2 219 221 A V H X S+ 0 0 7 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.928 109.6 46.8 -61.2 -43.2 4.6 9.7 31.7 220 222 A A H X S+ 0 0 40 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.915 112.6 48.8 -64.2 -44.9 5.3 6.0 31.6 221 223 A I H X S+ 0 0 21 -4,-2.1 4,-2.3 1,-0.2 5,-0.2 0.925 114.3 45.3 -61.8 -45.3 6.8 6.2 28.1 222 224 A A H X S+ 0 0 0 -4,-2.9 4,-2.3 1,-0.2 5,-0.2 0.875 110.0 54.2 -67.0 -38.3 9.1 9.1 29.1 223 225 A R H X S+ 0 0 152 -4,-2.5 4,-2.0 -5,-0.3 -1,-0.2 0.904 109.4 51.8 -61.5 -38.5 10.1 7.4 32.3 224 226 A D H X S+ 0 0 86 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.953 113.7 38.2 -63.9 -54.5 11.1 4.5 30.1 225 227 A Y H X S+ 0 0 2 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.810 112.7 59.2 -71.1 -24.7 13.3 6.3 27.6 226 228 A A H X S+ 0 0 7 -4,-2.3 4,-1.8 -5,-0.2 -1,-0.2 0.956 109.4 43.3 -65.2 -48.7 14.7 8.5 30.4 227 229 A G H < S+ 0 0 36 -4,-2.0 4,-0.5 -5,-0.2 -2,-0.2 0.929 116.2 47.9 -61.9 -45.2 16.0 5.5 32.3 228 230 A W H >X S+ 0 0 31 -4,-2.2 4,-2.4 1,-0.2 3,-1.7 0.944 111.0 49.3 -61.5 -50.5 17.3 3.9 29.1 229 231 A L H 3< S+ 0 0 0 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.827 104.1 60.3 -60.1 -31.4 19.1 7.0 27.9 230 232 A S T 3< S+ 0 0 29 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 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15.6 280 282 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.934 114.3 47.3 -66.2 -47.7 23.8 24.0 15.9 281 283 A G H X S+ 0 0 0 -4,-3.2 4,-2.7 -5,-0.2 -2,-0.2 0.927 111.7 50.1 -60.6 -46.0 24.5 22.8 12.3 282 284 A A H X S+ 0 0 49 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.898 111.1 49.5 -60.4 -41.5 28.2 22.9 12.7 283 285 A A H X S+ 0 0 16 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.920 112.0 47.2 -65.1 -44.3 28.0 20.9 16.0 284 286 A I H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.918 111.3 52.2 -63.8 -41.8 25.8 18.2 14.5 285 287 A A H X S+ 0 0 2 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.932 110.8 46.7 -59.7 -47.0 28.1 18.0 11.4 286 288 A A H X S+ 0 0 25 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.911 111.6 52.3 -60.7 -44.2 31.2 17.5 13.6 287 289 A F H X S+ 0 0 6 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.940 112.5 44.7 -56.8 -51.0 29.3 14.9 15.7 288 290 A V H X S+ 0 0 1 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.876 109.1 55.4 -64.6 -38.9 28.3 12.9 12.6 289 291 A X H < S+ 0 0 155 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.870 108.9 48.6 -63.9 -33.1 31.8 13.2 11.0 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