==== 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 27-OCT-00 1G4H . 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) . 11310.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 200 68.0 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 . 17 5.8 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 . 82 27.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 0 1 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 0 114 0, 0.0 274,-0.0 0, 0.0 2,-0.0 0.000 360.0 360.0 360.0 -73.4 19.5 33.0 8.1 2 4 A G - 0 0 41 1,-0.1 43,-0.1 43,-0.0 42,-0.0 0.249 360.0-141.8 103.6 133.4 17.1 32.5 5.2 3 5 A A + 0 0 32 2,-0.1 -1,-0.1 41,-0.1 184,-0.1 0.437 67.5 111.0-104.0 -4.3 13.4 31.8 5.0 4 6 A K S S- 0 0 125 1,-0.1 180,-0.0 40,-0.0 179,-0.0 -0.513 72.9-115.1 -74.1 135.7 13.7 29.4 2.0 5 7 A P - 0 0 56 0, 0.0 -1,-0.1 0, 0.0 36,-0.1 -0.209 24.0-116.6 -66.8 161.6 12.9 25.8 2.8 6 8 A F S S- 0 0 52 34,-0.1 2,-0.2 1,-0.1 3,-0.1 0.983 76.9 -13.2 -63.6 -86.0 15.7 23.1 2.5 7 9 A G S S- 0 0 12 1,-0.1 2,-0.1 17,-0.0 -1,-0.1 -0.494 88.4 -68.2-111.4-176.3 14.7 20.6 -0.2 8 10 A E - 0 0 137 -2,-0.2 15,-0.5 1,-0.1 2,-0.3 -0.461 53.0-110.4 -74.5 146.8 11.5 19.8 -2.0 9 11 A K - 0 0 55 -2,-0.1 2,-0.3 13,-0.1 13,-0.2 -0.587 32.8-161.6 -78.9 133.4 8.7 18.2 -0.1 10 12 A K E -A 21 0A 83 11,-3.3 11,-2.1 -2,-0.3 2,-0.4 -0.822 4.5-146.1-112.8 154.9 7.9 14.6 -0.9 11 13 A F E +A 20 0A 90 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.949 17.8 172.2-127.2 145.9 4.7 12.7 -0.1 12 14 A I E -A 19 0A 44 7,-1.9 7,-2.5 -2,-0.4 2,-0.4 -0.994 33.5-112.7-149.0 142.8 3.9 9.2 0.8 13 15 A E E +A 18 0A 139 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.667 34.3 176.3 -84.0 128.0 0.7 7.4 1.9 14 16 A I E > -A 17 0A 7 3,-3.4 3,-2.5 -2,-0.4 76,-0.1 -0.996 69.1 -16.2-132.6 126.3 0.7 6.1 5.5 15 17 A K T 3 S- 0 0 120 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.854 128.8 -53.1 49.2 39.8 -2.3 4.5 7.2 16 18 A G T 3 S+ 0 0 57 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.578 122.8 100.4 75.4 9.2 -4.5 5.9 4.4 17 19 A R E < S-A 14 0A 65 -3,-2.5 -3,-3.4 51,-0.1 2,-0.5 -0.823 73.3-116.2-122.3 162.3 -3.2 9.4 5.0 18 20 A R E -A 13 0A 123 -2,-0.3 50,-3.7 -5,-0.2 2,-0.4 -0.876 28.2-170.3-103.9 129.1 -0.6 11.5 3.2 19 21 A M E -A 12 0A 0 -7,-2.5 -7,-1.9 -2,-0.5 2,-0.3 -0.941 10.2-144.2-119.2 140.6 2.5 12.6 5.0 20 22 A A E +A 11 0A 0 -2,-0.4 40,-2.8 40,-0.3 2,-0.3 -0.759 26.5 155.2-104.5 149.6 5.1 15.1 3.8 21 23 A Y E -AB 10 59A 25 -11,-2.1 -11,-3.3 -2,-0.3 2,-0.4 -0.984 38.6-117.0-163.5 163.5 8.9 14.9 4.3 22 24 A I E + B 0 58A 2 36,-2.3 36,-2.0 -2,-0.3 2,-0.3 -0.906 28.7 175.4-108.3 137.7 12.2 16.1 3.0 23 25 A D E + B 0 57A 20 -15,-0.5 2,-0.4 -2,-0.4 34,-0.2 -0.800 10.2 163.0-147.6 97.2 14.6 13.3 1.8 24 26 A E E + B 0 56A 66 32,-2.7 32,-3.0 -2,-0.3 2,-0.1 -0.965 41.1 6.6-124.5 133.9 17.9 14.5 0.2 25 27 A G S S- 0 0 52 -2,-0.4 2,-0.3 30,-0.2 30,-0.2 -0.373 73.1 -86.4 97.8-178.2 21.1 12.7 -0.4 26 28 A T S S+ 0 0 126 28,-0.2 2,-0.2 -2,-0.1 -2,-0.0 -0.886 71.8 44.1-132.2 162.7 22.3 9.1 -0.1 27 29 A G S S- 0 0 53 -2,-0.3 27,-0.1 27,-0.2 26,-0.1 -0.685 97.4 -3.6 106.5-160.7 23.8 7.0 2.6 28 30 A D S S- 0 0 66 -2,-0.2 27,-1.4 25,-0.2 69,-0.1 -0.500 84.0-102.9 -72.2 135.7 22.9 6.5 6.3 29 31 A P E -c 55 0A 2 0, 0.0 72,-2.2 0, 0.0 2,-0.5 -0.204 21.1-162.1 -62.8 145.0 20.1 8.8 7.5 30 32 A I E -cd 56 101A 0 25,-2.5 27,-2.1 70,-0.2 2,-0.7 -0.966 27.0-158.7-124.7 100.9 20.5 11.9 9.6 31 33 A L E -cd 57 102A 0 70,-3.1 72,-3.0 -2,-0.5 2,-0.5 -0.811 10.6-165.8 -97.2 112.6 16.9 12.2 10.8 32 34 A F E -cd 58 103A 0 25,-3.1 27,-0.7 -2,-0.7 2,-0.5 -0.841 5.7-169.4 -98.8 122.5 15.6 15.6 12.0 33 35 A Q E -cd 59 104A 0 70,-2.6 72,-1.2 -2,-0.5 75,-0.2 -0.932 5.3-155.4-121.5 117.1 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 -0.181 7.2-155.8 -75.6 171.3 10.5 18.9 14.8 35 37 A G > + 0 0 0 72,-0.2 3,-1.0 4,-0.2 71,-0.1 -0.207 43.0 2.4-125.1-145.0 8.0 19.4 17.6 36 38 A N T 3 S- 0 0 2 1,-0.3 3,-0.1 -2,-0.1 -1,-0.1 -0.784 121.9 -7.6-100.4 135.1 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 -0.585 116.9 80.0-107.4 48.2 4.0 23.9 16.6 38 40 A T < - 0 0 3 -3,-1.0 27,-0.3 1,-0.1 2,-0.3 0.069 53.1-155.3 -97.0-154.9 6.7 23.6 13.9 39 41 A S > - 0 0 8 25,-0.1 3,-2.1 21,-0.1 4,-0.3 -0.877 54.2 -58.4-163.0-168.8 7.5 21.3 10.9 40 42 A S G > S+ 0 0 3 1,-0.3 3,-2.1 -2,-0.3 4,-0.2 0.810 121.9 77.8 -56.2 -28.5 10.4 20.2 8.8 41 43 A Y G > S+ 0 0 18 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.761 76.4 74.3 -51.5 -29.9 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 0.794 98.2 45.3 -56.7 -29.9 12.4 24.3 11.5 43 45 A W G X> S+ 0 0 0 -3,-2.1 4,-2.7 -4,-0.3 3,-2.1 0.374 76.7 112.1 -98.3 5.2 15.6 22.6 10.3 44 46 A R T <4 S+ 0 0 5 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.779 85.1 38.1 -49.3 -38.0 16.0 24.5 6.9 45 47 A N T 34 S+ 0 0 27 -3,-0.3 -1,-0.3 -4,-0.3 236,-0.2 0.393 119.1 49.9 -96.9 3.7 19.2 26.3 8.0 46 48 A I T X4 S+ 0 0 1 -3,-2.1 3,-1.2 2,-0.1 4,-0.4 0.786 97.2 62.1-105.8 -44.1 20.6 23.4 9.9 47 49 A M G >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.2 -3,-0.1 0.819 92.2 68.5 -55.3 -34.0 20.4 20.5 7.5 48 50 A P G > S+ 0 0 55 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 0.851 88.9 64.1 -55.9 -35.9 22.7 22.2 4.9 49 51 A H G < S+ 0 0 57 -3,-1.2 -2,-0.2 1,-0.3 -3,-0.1 0.725 99.8 54.2 -61.0 -21.2 25.7 21.8 7.3 50 52 A C G X S+ 0 0 0 -3,-1.8 3,-2.4 -4,-0.4 4,-0.4 0.248 76.7 145.1 -97.7 12.8 25.3 18.0 6.9 51 53 A A T < S+ 0 0 62 -3,-2.0 4,-0.1 1,-0.3 -26,-0.1 -0.257 74.8 6.8 -53.9 129.9 25.5 18.1 3.1 52 54 A G T 3 S+ 0 0 83 2,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.443 105.8 96.4 76.8 -0.3 27.2 15.0 1.8 53 55 A L S < S- 0 0 36 -3,-2.4 2,-0.3 1,-0.3 -25,-0.2 0.493 98.0 -47.5 -97.4 -6.2 27.4 13.4 5.3 54 56 A G S S- 0 0 6 -4,-0.4 2,-0.8 -27,-0.1 -2,-0.4 -0.976 81.1 -42.0 164.7-174.4 24.4 11.2 4.8 55 57 A R E - c 0 29A 40 -27,-1.4 -25,-2.5 -2,-0.3 2,-0.7 -0.741 57.0-145.3 -83.8 108.7 20.7 11.0 3.7 56 58 A L E +Bc 24 30A 6 -32,-3.0 -32,-2.7 -2,-0.8 2,-0.4 -0.689 25.1 175.4 -84.6 111.6 19.1 14.2 5.1 57 59 A I E +Bc 23 31A 0 -27,-2.1 -25,-3.1 -2,-0.7 2,-0.3 -0.934 16.1 173.2-122.6 139.0 15.5 13.5 6.2 58 60 A A E -Bc 22 32A 0 -36,-2.0 -36,-2.3 -2,-0.4 2,-0.3 -0.903 16.8-159.1-144.2 110.6 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 -0.672 15.4-132.0 -95.8 147.3 9.4 14.6 8.4 60 62 A D - 0 0 0 -40,-2.8 -40,-0.3 -2,-0.3 3,-0.1 -0.858 32.7-121.9 -94.2 118.2 6.2 16.6 9.0 61 63 A L > - 0 0 1 -2,-0.6 3,-2.4 1,-0.1 6,-0.3 -0.199 43.6 -79.1 -57.3 152.0 4.3 15.1 11.9 62 64 A I T 3 S+ 0 0 1 1,-0.3 7,-0.1 21,-0.2 -1,-0.1 -0.225 121.3 17.5 -54.3 137.6 0.7 14.1 11.0 63 65 A G T 3 S+ 0 0 0 5,-2.1 -1,-0.3 1,-0.3 2,-0.3 0.462 116.2 90.6 77.9 0.5 -1.6 17.1 11.0 64 66 A M S X S- 0 0 0 -3,-2.4 3,-2.5 4,-0.2 -44,-0.3 -0.819 84.5 -7.5-126.7 164.8 1.4 19.4 10.8 65 67 A G T 3 S- 0 0 10 -27,-0.3 -26,-0.1 -2,-0.3 -44,-0.0 -0.256 129.2 -26.3 52.4-131.2 3.5 21.0 8.0 66 68 A D T 3 S+ 0 0 64 -46,-0.0 -1,-0.3 2,-0.0 2,-0.2 0.296 109.6 115.5 -96.3 9.2 2.3 19.5 4.7 67 69 A S S < S- 0 0 6 -3,-2.5 -48,-0.3 -6,-0.3 -6,-0.1 -0.496 75.8 -91.2 -78.5 149.7 1.1 16.3 6.2 68 70 A D - 0 0 63 -50,-3.7 -5,-2.1 -2,-0.2 -4,-0.2 -0.107 36.6-117.0 -56.8 153.3 -2.6 15.4 6.1 69 71 A K - 0 0 49 -7,-0.1 2,-0.9 -6,-0.1 -51,-0.1 -0.570 25.8-118.3 -87.3 157.8 -5.0 16.4 8.8 70 72 A L - 0 0 0 -2,-0.2 -1,-0.0 -8,-0.1 7,-0.0 -0.733 40.4-137.7-101.7 87.1 -6.8 13.6 10.7 71 73 A D S S+ 0 0 99 -2,-0.9 2,-0.1 1,-0.2 3,-0.0 -0.706 85.6 43.8 -94.5 142.2 -10.5 14.0 10.2 72 74 A P S S- 0 0 111 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 0.397 89.2-173.7 -75.2 132.8 -12.8 13.8 12.0 73 75 A S + 0 0 22 -2,-0.1 124,-0.1 4,-0.1 -2,-0.1 -0.644 17.2 130.7 -96.4 152.7 -10.6 15.7 14.5 74 76 A G > - 0 0 15 -2,-0.2 3,-1.7 123,-0.1 0, 0.0 -0.947 69.8 -52.8-173.8-169.9 -11.5 16.5 18.1 75 77 A P T 3 S+ 0 0 85 0, 0.0 -2,-0.0 0, 0.0 83,-0.0 0.720 129.8 52.2 -56.8 -24.6 -10.2 16.4 21.7 76 78 A E T 3 S+ 0 0 175 3,-0.0 3,-0.5 2,-0.0 2,-0.2 0.548 94.1 92.5 -90.6 -9.2 -9.3 12.8 21.4 77 79 A R S < S+ 0 0 53 -3,-1.7 -4,-0.1 1,-0.2 127,-0.0 -0.500 77.1 25.1 -89.4 156.1 -7.2 13.2 18.2 78 80 A Y S S+ 0 0 0 1,-0.2 -1,-0.2 -2,-0.2 2,-0.1 0.754 75.3 156.2 68.0 29.3 -3.4 13.9 17.9 79 81 A A > - 0 0 29 -3,-0.5 4,-2.1 1,-0.1 3,-0.5 -0.353 60.0 -98.6 -76.3 166.3 -2.4 12.3 21.2 80 82 A Y H > S+ 0 0 1 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.910 122.7 55.0 -52.2 -48.7 1.2 11.1 21.5 81 83 A A H > S+ 0 0 35 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.857 108.7 48.2 -55.4 -39.0 0.2 7.4 20.8 82 84 A E H > S+ 0 0 40 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.922 110.6 49.9 -70.3 -43.5 -1.5 8.4 17.5 83 85 A H H X S+ 0 0 1 -4,-2.1 4,-2.9 1,-0.2 5,-0.2 0.895 110.1 53.0 -60.1 -39.3 1.5 10.5 16.4 84 86 A R H X S+ 0 0 51 -4,-2.6 4,-3.1 -5,-0.2 5,-0.3 0.929 104.8 53.8 -62.9 -45.1 3.8 7.6 17.2 85 87 A D H X S+ 0 0 89 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.908 114.5 41.4 -58.0 -41.5 1.7 5.2 15.1 86 88 A Y H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.947 116.9 46.1 -72.0 -47.2 2.0 7.4 12.1 87 89 A L H X S+ 0 0 3 -4,-2.9 4,-2.9 2,-0.2 5,-0.2 0.870 110.9 53.6 -63.3 -37.8 5.7 8.4 12.5 88 90 A D H X S+ 0 0 41 -4,-3.1 4,-1.8 -5,-0.2 -1,-0.2 0.936 111.8 45.5 -60.9 -46.7 6.6 4.7 13.1 89 91 A A H X S+ 0 0 36 -4,-1.6 4,-2.2 -5,-0.3 -2,-0.2 0.863 113.2 50.1 -65.7 -36.8 5.0 3.7 9.9 90 92 A L H X S+ 0 0 0 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.947 111.2 47.4 -67.6 -47.3 6.5 6.6 8.0 91 93 A W H <>S+ 0 0 1 -4,-2.9 5,-0.7 1,-0.2 4,-0.2 0.825 112.5 50.7 -63.7 -30.5 10.0 5.8 9.3 92 94 A E H ><5S+ 0 0 128 -4,-1.8 3,-1.4 -5,-0.2 -1,-0.2 0.917 108.9 51.5 -71.2 -43.1 9.5 2.2 8.4 93 95 A A H 3<5S+ 0 0 52 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.778 100.7 63.6 -64.1 -27.8 8.4 3.2 4.9 94 96 A L T 3<5S- 0 0 8 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.549 100.2-133.0 -76.5 -7.3 11.5 5.3 4.4 95 97 A D T < 5 + 0 0 131 -3,-1.4 -3,-0.1 -4,-0.2 -2,-0.1 0.972 33.7 177.9 52.0 65.1 13.8 2.3 4.6 96 98 A L < - 0 0 4 -5,-0.7 3,-0.4 1,-0.2 -1,-0.1 0.634 21.6-146.4 -74.5 -19.8 16.2 3.9 7.0 97 99 A G - 0 0 34 1,-0.2 -1,-0.2 -69,-0.1 3,-0.2 -0.344 34.4 -66.0 82.3-166.3 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 0.150 114.3 66.3-115.8 21.4 20.5 0.3 10.8 99 101 A R + 0 0 88 -3,-0.4 2,-0.3 24,-0.1 24,-0.2 -0.481 67.2 163.6-135.6 62.4 22.9 3.3 11.4 100 102 A V E - e 0 123A 0 22,-3.2 24,-2.2 -3,-0.2 25,-1.4 -0.641 27.7-153.9 -88.2 136.5 20.5 6.2 11.9 101 103 A V E -de 30 125A 0 -72,-2.2 -70,-3.1 -2,-0.3 2,-0.4 -0.949 15.6-153.1-108.8 121.7 21.5 9.5 13.5 102 104 A L E -de 31 126A 1 23,-2.6 25,-3.6 -2,-0.6 2,-0.5 -0.789 13.3-172.7 -98.0 137.4 18.6 11.2 15.2 103 105 A V E +de 32 127A 0 -72,-3.0 -70,-2.6 -2,-0.4 2,-0.3 -0.970 25.0 177.8-127.6 109.7 18.5 15.0 15.6 104 106 A V E -de 33 128A 0 23,-2.8 25,-1.2 -2,-0.5 2,-0.3 -0.802 21.3-179.7-124.4 162.0 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 -0.988 57.2 -32.7-154.7 142.6 13.7 18.8 19.5 106 108 A D H >> S- e 0 131A 16 24,-2.1 3,-1.6 23,-0.7 4,-1.3 -0.105 132.0 -1.9 47.4-129.1 10.6 19.2 21.7 107 109 A W H 3> S+ 0 0 3 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.754 130.8 66.7 -63.7 -20.6 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 0.801 101.1 49.6 -68.2 -27.0 10.3 15.3 18.2 109 111 A S H < S+ 0 0 0 -4,-2.6 3,-0.5 1,-0.2 -2,-0.2 0.912 107.7 51.4 -60.2 -44.2 15.5 4.9 19.7 117 119 A R H >< S+ 0 0 57 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.884 114.4 44.8 -60.1 -37.3 14.7 2.9 22.8 118 120 A R H 3< S+ 0 0 78 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.613 127.0 28.5 -82.9 -14.1 12.6 0.5 20.7 119 121 A H T X< S+ 0 0 52 -4,-1.2 3,-2.7 -3,-0.5 4,-0.3 -0.141 74.5 148.0-136.9 37.3 15.1 0.3 17.8 120 122 A R G X + 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-34,-2.5 3,-2.2 1,-0.2 4,-0.2 -0.698 117.8 -5.2 105.0-155.5 -10.8 25.2 14.3 197 199 A E G > S+ 0 0 61 1,-0.3 3,-1.8 -2,-0.3 -1,-0.2 0.675 114.1 78.2 -54.9 -22.0 -9.7 21.6 14.2 198 200 A A G 3 S+ 0 0 25 -3,-0.3 -1,-0.3 1,-0.3 -3,-0.1 0.832 99.6 44.7 -57.4 -29.1 -6.9 22.4 11.7 199 201 A R G X S+ 0 0 24 -3,-2.2 3,-1.5 -5,-0.2 4,-0.5 0.408 81.8 106.6 -93.8 -0.2 -5.0 23.7 14.8 200 202 A R T X> + 0 0 7 -3,-1.8 4,-2.9 1,-0.3 3,-1.7 0.827 69.9 62.6 -50.3 -39.6 -5.9 20.8 17.0 201 203 A P H 3> S+ 0 0 0 0, 0.0 4,-1.6 0, 0.0 -1,-0.3 0.852 99.9 54.9 -57.8 -32.1 -2.4 19.3 16.9 202 204 A T H <4 S+ 0 0 0 -3,-1.5 -2,-0.2 1,-0.2 -3,-0.1 0.588 114.7 39.2 -78.7 -8.4 -1.0 22.5 18.6 203 205 A L H <> S+ 0 0 0 -3,-1.7 4,-1.1 -4,-0.5 -1,-0.2 0.743 112.1 54.1-104.6 -39.9 -3.4 22.1 21.5 204 206 A S H < S+ 0 0 6 -4,-2.9 4,-0.3 1,-0.2 -124,-0.2 0.871 103.2 60.7 -63.3 -36.1 -3.3 18.3 21.9 205 207 A W T >X S+ 0 0 0 -4,-1.6 3,-2.0 -5,-0.3 4,-0.7 0.946 103.3 45.5 -59.4 -53.2 0.5 18.5 22.2 206 208 A P T 34 S+ 0 0 0 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.803 109.1 58.2 -63.1 -23.6 0.7 20.6 25.3 207 209 A R T 3< S+ 0 0 52 -4,-1.1 -2,-0.2 1,-0.2 -3,-0.1 0.544 104.4 53.8 -80.0 -5.7 -2.0 18.5 26.9 208 210 A Q T <4 S+ 0 0 24 -3,-2.0 -1,-0.2 -4,-0.3 -3,-0.1 0.550 74.9 119.7-102.8 -12.7 0.4 15.5 26.3 209 211 A I S < S- 0 0 13 -4,-0.7 2,-1.6 -3,-0.5 5,-0.1 -0.328 74.3-117.7 -57.0 128.2 3.4 16.9 28.1 210 212 A P + 0 0 2 0, 0.0 -74,-2.8 0, 0.0 2,-0.4 -0.530 56.5 153.5 -72.2 89.0 4.2 14.5 31.0 211 213 A I B > -hI 136 214B 2 3,-2.0 3,-2.0 -2,-1.6 -74,-0.2 -0.978 63.0 -12.4-125.6 132.8 3.7 16.9 33.9 212 214 A A T 3 S- 0 0 47 -76,-2.4 -1,-0.1 -2,-0.4 -75,-0.1 0.824 128.0 -53.2 50.3 38.2 2.8 16.1 37.5 213 215 A G T 3 S+ 0 0 42 -77,-0.5 -1,-0.3 1,-0.1 6,-0.1 0.380 100.4 145.8 84.2 -3.3 1.9 12.5 36.5 214 216 A T B < +I 211 0B 86 -3,-2.0 -3,-2.0 1,-0.2 -1,-0.1 -0.975 56.7 27.6-127.9 136.6 -0.5 13.4 33.7 215 217 A P S > S- 0 0 18 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.492 79.1-157.2 -78.9 141.4 -1.1 12.0 31.1 216 218 A A H > S+ 0 0 72 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