==== 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 HYDROLASE 24-AUG-07 2R2D . COMPND 2 MOLECULE: ZN-DEPENDENT HYDROLASES; . SOURCE 2 ORGANISM_SCIENTIFIC: AGROBACTERIUM TUMEFACIENS; . AUTHOR D.LIU,P.W.THOMAS,J.MOMB,Q.HOANG,G.A.PETSKO,D.RINGE,W.FAST . 1656 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71404.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1146 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 124 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 249 15.0 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 . 12 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 20 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 6 0.4 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 . 180 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 172 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 292 17.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 1.1 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 12 0 12 8 3 0 0 0 5 1 0 0 2 2 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 12 8 4 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 PARALLEL BRIDGES PER LADDER . 13 0 0 17 1 6 0 0 0 0 6 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 6 0 0 3 3 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 1 A M 0 0 183 0, 0.0 50,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -37.5 24.7 17.8 -5.1 2 2 A G - 0 0 23 48,-0.1 2,-0.1 1,-0.1 200,-0.1 -0.529 360.0-104.6 -77.0 148.8 21.1 16.6 -5.3 3 3 A N - 0 0 13 198,-0.3 2,-0.4 -2,-0.2 200,-0.4 -0.473 31.3-150.4 -70.8 145.7 19.3 15.7 -2.0 4 4 A K E -A 49 0A 76 45,-2.3 45,-2.6 -2,-0.1 2,-0.5 -0.987 5.8-159.7-121.3 132.3 18.9 12.0 -1.2 5 5 A L E -AB 48 275A 0 270,-2.4 270,-3.1 -2,-0.4 2,-0.4 -0.961 3.7-167.2-118.6 124.7 16.0 10.6 0.9 6 6 A F E -A 47 0A 10 41,-2.8 41,-2.4 -2,-0.5 2,-0.6 -0.920 14.2-142.4-109.3 132.0 16.0 7.2 2.6 7 7 A V E -A 46 0A 0 261,-0.5 263,-3.2 -2,-0.4 2,-0.6 -0.852 15.7-154.5 -97.2 117.4 12.9 5.7 4.0 8 8 A L E -A 45 0A 0 37,-3.0 37,-1.4 -2,-0.6 2,-0.8 -0.837 6.8-144.1-101.3 118.4 13.6 3.8 7.3 9 9 A D E +A 44 0A 46 -2,-0.6 35,-0.2 35,-0.2 3,-0.1 -0.693 22.9 174.2 -81.5 107.6 11.3 0.9 8.2 10 10 A L E - 0 0 1 33,-2.5 51,-0.4 -2,-0.8 2,-0.2 -0.047 44.2-108.5-110.9 32.0 11.0 1.1 12.0 11 11 A G E - 0 0 2 72,-0.1 32,-2.5 78,-0.1 -1,-0.3 -0.486 39.2 -72.0 90.8-149.9 8.3 -1.6 12.4 12 12 A E E -A 42 0A 59 30,-0.3 71,-2.9 -2,-0.2 72,-0.6 -0.974 20.0-142.1-151.0 158.1 4.6 -1.4 13.4 13 13 A I E -AC 41 82A 10 28,-2.2 28,-2.8 -2,-0.3 2,-0.5 -0.981 15.4-141.5-124.8 142.4 2.1 -0.9 16.2 14 14 A R E +A 40 0A 106 67,-2.2 2,-0.3 -2,-0.4 26,-0.2 -0.885 39.5 150.7-101.2 129.2 -1.1 -2.7 16.7 15 15 A V E -A 39 0A 12 24,-2.2 24,-2.6 -2,-0.5 2,-0.2 -0.997 52.7 -83.3-159.9 153.7 -3.9 -0.5 17.9 16 16 A D E >> -A 38 0A 49 63,-0.3 3,-2.2 -2,-0.3 4,-0.5 -0.415 38.0-134.0 -60.9 125.6 -7.6 0.1 17.9 17 17 A E H >> S+ 0 0 31 20,-3.0 4,-2.6 1,-0.3 3,-1.1 0.759 99.2 75.1 -54.6 -28.0 -8.6 1.9 14.6 18 18 A N H 34 S+ 0 0 41 1,-0.3 5,-0.4 19,-0.2 -1,-0.3 0.665 92.2 55.0 -62.7 -17.6 -10.7 4.3 16.6 19 19 A F H <4 S+ 0 0 96 -3,-2.2 210,-2.1 3,-0.1 -1,-0.3 0.794 112.6 41.6 -80.5 -27.9 -7.5 6.1 17.7 20 20 A I H << S+ 0 0 5 -3,-1.1 2,-0.5 -4,-0.5 -2,-0.2 0.889 130.9 21.5 -90.1 -47.1 -6.3 6.6 14.2 21 21 A I S >< S- 0 0 9 -4,-2.6 3,-1.4 207,-0.2 -1,-0.3 -0.944 96.6-122.2-122.3 108.3 -9.6 7.6 12.6 22 22 A A T 3 S- 0 0 30 205,-2.1 -3,-0.1 -2,-0.5 -4,-0.1 -0.143 85.7 -1.6 -58.5 141.0 -12.0 8.9 15.2 23 23 A N T 3 S+ 0 0 116 -5,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.779 76.9 148.2 50.3 35.8 -15.4 7.2 15.6 24 24 A S S < S+ 0 0 34 -3,-1.4 2,-0.3 1,-0.2 -1,-0.1 0.786 77.6 23.1 -65.6 -26.3 -14.7 4.8 12.7 25 25 A T S S+ 0 0 36 12,-0.0 2,-0.3 9,-0.0 -1,-0.2 -0.996 74.3 157.7-137.2 137.0 -16.8 2.3 14.7 26 26 A F - 0 0 136 -2,-0.3 2,-0.2 -3,-0.1 8,-0.1 -0.977 38.5-106.6-152.1 154.5 -19.5 3.1 17.3 27 27 A V + 0 0 84 -2,-0.3 -2,-0.0 5,-0.1 8,-0.0 -0.545 35.4 178.2 -82.5 149.4 -22.5 1.2 18.8 28 28 A T - 0 0 44 3,-1.3 3,-0.4 -2,-0.2 6,-0.1 -0.914 46.4 -91.1-139.4 164.8 -26.1 2.2 17.9 29 29 A P S S+ 0 0 133 0, 0.0 -2,-0.0 0, 0.0 -1,-0.0 0.843 128.5 40.1 -44.2 -43.3 -29.6 0.8 18.8 30 30 A Q S S+ 0 0 165 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 0.736 128.0 33.7 -83.1 -22.1 -29.7 -1.5 15.8 31 31 A K S > S+ 0 0 124 -3,-0.4 -3,-1.3 1,-0.1 3,-0.8 -0.556 74.0 156.9-126.7 68.0 -26.0 -2.5 16.2 32 32 A P T 3 S+ 0 0 81 0, 0.0 -5,-0.1 0, 0.0 -1,-0.1 0.569 70.2 35.4 -76.9 -10.0 -25.6 -2.4 20.0 33 33 A T T 3 S+ 0 0 128 -7,-0.1 -6,-0.1 -5,-0.1 -2,-0.0 0.245 72.6 140.1-132.0 15.7 -22.6 -4.7 20.3 34 34 A V < - 0 0 78 -3,-0.8 2,-0.3 -6,-0.1 -7,-0.0 -0.337 42.1-140.7 -59.8 137.4 -20.2 -4.2 17.4 35 35 A S - 0 0 103 1,-0.1 -9,-0.1 -9,-0.1 -1,-0.1 -0.766 11.7-123.3 -96.5 145.4 -16.5 -4.2 18.3 36 36 A S - 0 0 32 -2,-0.3 2,-0.3 -11,-0.1 -1,-0.1 -0.243 35.0-117.1 -68.7 175.3 -14.0 -1.9 16.8 37 37 A R - 0 0 155 -22,-0.0 -20,-3.0 -2,-0.0 2,-0.3 -0.902 9.4-119.0-123.5 156.1 -11.0 -3.5 15.1 38 38 A L E -A 16 0A 114 -2,-0.3 2,-0.3 -22,-0.2 -22,-0.2 -0.678 30.2-170.1 -86.3 138.6 -7.2 -3.6 15.5 39 39 A I E -A 15 0A 30 -24,-2.6 -24,-2.2 -2,-0.3 2,-0.6 -0.926 20.5-129.6-129.6 151.5 -5.0 -2.3 12.7 40 40 A D E -A 14 0A 37 -2,-0.3 -26,-0.2 -26,-0.2 221,-0.1 -0.916 27.8-169.7-105.3 122.1 -1.3 -2.5 12.2 41 41 A I E -A 13 0A 11 -28,-2.8 -28,-2.2 -2,-0.6 2,-0.1 -0.910 20.6-115.3-119.0 141.1 0.3 0.8 11.4 42 42 A P E -A 12 0A 7 0, 0.0 2,-0.4 0, 0.0 -30,-0.3 -0.447 16.3-152.5 -76.0 144.8 3.9 1.5 10.2 43 43 A V E + 0 0 0 -32,-2.5 -33,-2.5 -2,-0.1 2,-0.3 -0.982 29.8 163.6-111.4 131.3 6.5 3.4 12.2 44 44 A S E -A 9 0A 7 -2,-0.4 16,-0.4 214,-0.4 2,-0.3 -0.869 26.5-163.1-142.1 167.7 9.1 5.1 10.1 45 45 A A E -A 8 0A 0 -37,-1.4 -37,-3.0 -2,-0.3 2,-0.4 -0.917 18.9-133.8-146.4 168.9 11.8 7.8 9.9 46 46 A Y E -AD 7 57A 9 11,-2.0 11,-2.9 -2,-0.3 2,-0.5 -0.989 5.8-156.2-133.4 134.1 13.6 9.6 7.0 47 47 A L E -AD 6 56A 0 -41,-2.4 -41,-2.8 -2,-0.4 2,-0.5 -0.955 9.6-166.4-112.4 129.9 17.2 10.2 6.4 48 48 A I E -AD 5 55A 0 7,-3.5 7,-2.9 -2,-0.5 2,-0.5 -0.965 2.8-161.9-116.7 118.3 18.1 13.1 4.1 49 49 A Q E +AD 4 54A 51 -45,-2.6 -45,-2.3 -2,-0.5 2,-0.3 -0.895 15.4 175.3 -97.2 126.6 21.7 13.4 2.8 50 50 A C - 0 0 14 3,-2.8 -48,-0.1 -2,-0.5 -47,-0.1 -0.846 47.0-101.3-120.4 162.0 22.6 16.8 1.5 51 51 A T S S+ 0 0 95 -50,-0.4 -49,-0.1 -2,-0.3 3,-0.1 0.885 121.0 26.9 -46.5 -43.7 25.9 18.0 0.2 52 52 A D S S+ 0 0 116 1,-0.1 2,-0.3 -3,-0.0 -1,-0.2 0.838 126.2 18.5 -92.2 -39.8 26.6 19.8 3.5 53 53 A A - 0 0 18 52,-0.0 -3,-2.8 2,-0.0 2,-0.5 -0.844 57.1-131.9-138.0 167.0 24.6 18.0 6.2 54 54 A T E -D 49 0A 26 -2,-0.3 51,-1.8 -5,-0.2 52,-1.6 -0.994 29.4-167.4-123.7 117.8 22.8 14.7 7.0 55 55 A V E -De 48 106A 1 -7,-2.9 -7,-3.5 -2,-0.5 2,-0.4 -0.921 7.6-161.9-115.5 131.3 19.3 15.3 8.5 56 56 A L E -De 47 107A 0 50,-2.7 52,-3.7 -2,-0.4 2,-0.6 -0.930 5.6-155.7-110.3 135.9 17.1 12.7 10.2 57 57 A Y E -De 46 108A 1 -11,-2.9 -11,-2.0 -2,-0.4 52,-0.2 -0.957 64.8 -18.1-113.2 117.5 13.4 13.2 10.6 58 58 A D - 0 0 3 50,-2.8 -12,-0.2 -2,-0.6 59,-0.2 0.175 58.4-134.0 67.4 167.9 12.0 11.2 13.5 59 59 A T - 0 0 0 57,-2.1 31,-0.5 1,-0.2 57,-0.2 0.363 28.5-133.1-139.8 2.2 13.5 8.3 15.3 60 60 A G - 0 0 0 -16,-0.4 58,-1.8 55,-0.4 59,-0.4 -0.238 51.2 -32.7 74.6-166.9 11.0 5.4 15.8 61 61 A C S S- 0 0 7 -51,-0.4 29,-0.4 54,-0.2 54,-0.1 -0.503 72.3 -90.0 -81.9 158.7 10.5 3.5 19.1 62 62 A H > - 0 0 5 52,-0.3 3,-1.8 -2,-0.2 4,-0.2 -0.442 39.2-122.4 -63.6 139.9 13.2 2.8 21.7 63 63 A P T 3 S+ 0 0 44 0, 0.0 3,-0.3 0, 0.0 -1,-0.2 0.828 113.6 44.3 -59.9 -25.3 14.6 -0.6 20.6 64 64 A E T 3 S+ 0 0 124 1,-0.2 7,-2.1 5,-0.0 8,-0.2 -0.163 73.8 124.1-109.0 40.6 13.7 -1.8 24.1 65 65 A C < + 0 0 0 -3,-1.8 7,-2.3 5,-0.3 2,-0.2 0.859 66.6 58.0 -66.5 -35.1 10.2 -0.3 24.3 66 66 A M S S+ 0 0 64 -3,-0.3 3,-0.2 -4,-0.2 5,-0.2 -0.629 78.7 55.7 -98.1 153.6 8.6 -3.7 25.0 67 67 A G S > S- 0 0 33 -2,-0.2 3,-2.2 3,-0.2 10,-0.1 -0.439 93.5 -56.6 119.4 174.8 9.2 -6.2 27.7 68 68 A T T 3 S+ 0 0 164 1,-0.3 -1,-0.1 -2,-0.1 6,-0.1 0.792 141.1 24.8 -63.2 -32.7 9.2 -6.7 31.5 69 69 A N T 3 S+ 0 0 141 -3,-0.2 -1,-0.3 -5,-0.0 -2,-0.1 -0.162 98.4 142.2-117.3 35.0 11.8 -3.9 31.9 70 70 A G < - 0 0 4 -3,-2.2 -5,-0.3 2,-0.2 -4,-0.2 -0.304 62.7-117.2 -71.9 158.7 10.8 -2.2 28.6 71 71 A R S S+ 0 0 55 -7,-2.1 83,-0.5 -5,-0.2 84,-0.2 0.826 93.1 80.0 -68.3 -31.2 10.6 1.6 28.3 72 72 A W S S- 0 0 3 -7,-2.3 -2,-0.2 -8,-0.2 -5,-0.1 -0.588 91.3-108.4 -80.3 139.2 6.9 1.6 27.7 73 73 A P >> - 0 0 29 0, 0.0 4,-2.2 0, 0.0 3,-0.7 -0.225 32.8-110.4 -60.6 151.8 4.5 1.4 30.7 74 74 A A H 3> S+ 0 0 66 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.859 116.7 61.1 -54.7 -37.2 2.7 -2.0 30.9 75 75 A Q H 3> S+ 0 0 118 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.909 108.5 42.6 -59.2 -43.5 -0.6 -0.3 30.0 76 76 A S H <> S+ 0 0 29 -3,-0.7 4,-2.4 2,-0.2 -1,-0.2 0.860 112.6 53.5 -67.3 -40.2 0.8 0.8 26.6 77 77 A Q H < S+ 0 0 35 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.928 116.7 38.9 -61.2 -44.0 2.5 -2.5 26.0 78 78 A L H < S+ 0 0 139 -4,-3.0 -2,-0.2 -5,-0.2 -1,-0.2 0.868 122.6 40.4 -68.6 -42.4 -0.8 -4.3 26.6 79 79 A N H < S+ 0 0 99 -4,-2.4 -63,-0.3 -5,-0.3 -3,-0.2 0.795 134.8 6.5 -86.6 -34.4 -3.1 -1.8 24.8 80 80 A A S < S- 0 0 27 -4,-2.4 -1,-0.2 -5,-0.2 -65,-0.1 -0.517 83.1-166.6-149.5 72.3 -1.1 -0.8 21.7 81 81 A P - 0 0 30 0, 0.0 -67,-2.2 0, 0.0 2,-0.4 -0.279 24.4-119.8 -68.3 147.8 2.0 -2.9 21.4 82 82 A Y B +C 13 0A 33 -69,-0.2 -69,-0.2 1,-0.1 -71,-0.1 -0.733 32.8 176.1 -74.6 132.9 5.0 -2.4 19.2 83 83 A I + 0 0 59 -71,-2.9 -70,-0.2 -2,-0.4 -1,-0.1 0.042 24.5 138.2-130.0 19.5 5.2 -5.5 17.0 84 84 A G - 0 0 19 -72,-0.6 -2,-0.0 -74,-0.2 -73,-0.0 -0.315 57.1-103.7 -66.4 154.2 8.1 -4.6 14.6 85 85 A A > - 0 0 52 1,-0.1 3,-1.7 2,-0.0 -1,-0.1 -0.228 41.4 -91.9 -72.5 170.6 10.7 -7.2 13.7 86 86 A S T 3 S+ 0 0 110 1,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.759 122.8 48.1 -59.6 -34.6 14.2 -7.2 15.3 87 87 A E T 3 S+ 0 0 83 1,-0.2 2,-2.1 5,-0.1 -1,-0.3 0.543 83.9 99.3 -82.1 -8.1 16.0 -5.1 12.7 88 88 A C < + 0 0 8 -3,-1.7 2,-0.3 4,-0.1 -1,-0.2 -0.279 58.7 103.3 -85.5 59.5 13.2 -2.5 12.6 89 89 A N S > S- 0 0 27 -2,-2.1 4,-2.4 1,-0.1 3,-0.2 -0.963 77.7-115.3-140.1 152.3 15.0 0.0 14.9 90 90 A L H > S+ 0 0 1 -31,-0.5 4,-2.4 -29,-0.4 5,-0.3 0.892 110.6 52.1 -60.5 -49.3 16.8 3.3 14.1 91 91 A P H > S+ 0 0 13 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.906 114.6 44.8 -52.4 -42.8 20.4 2.3 15.2 92 92 A E H > S+ 0 0 54 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.916 110.7 52.8 -67.5 -42.9 20.2 -0.9 13.0 93 93 A R H X S+ 0 0 14 -4,-2.4 4,-0.6 1,-0.2 -1,-0.2 0.862 112.7 45.7 -62.9 -36.0 18.7 1.0 10.0 94 94 A L H ><>S+ 0 0 0 -4,-2.4 5,-2.7 -5,-0.2 3,-0.9 0.894 110.0 54.0 -69.6 -42.1 21.6 3.5 10.3 95 95 A R H ><5S+ 0 0 148 -4,-2.1 3,-2.3 1,-0.3 -2,-0.2 0.905 103.0 57.7 -57.3 -45.4 24.1 0.7 10.7 96 96 A Q H 3<5S+ 0 0 73 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.744 108.2 46.8 -56.8 -28.8 22.8 -0.9 7.5 97 97 A L T <<5S- 0 0 33 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.285 122.0-107.9 -95.8 8.4 23.6 2.4 5.7 98 98 A G T < 5S+ 0 0 66 -3,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.779 79.2 126.5 70.4 29.5 27.1 2.5 7.2 99 99 A L < - 0 0 31 -5,-2.7 -1,-0.2 -8,-0.1 -2,-0.2 -0.858 44.0-158.8-120.9 150.8 26.1 5.4 9.6 100 100 A S > - 0 0 48 -2,-0.3 3,-2.2 -3,-0.1 4,-0.5 -0.824 41.4-100.1-115.1 161.6 26.3 6.0 13.3 101 101 A P G > S+ 0 0 29 0, 0.0 3,-1.8 0, 0.0 25,-0.1 0.874 123.6 60.0 -46.6 -38.8 24.3 8.6 15.3 102 102 A D G 3 S+ 0 0 82 1,-0.3 21,-0.0 20,-0.1 -3,-0.0 0.642 92.5 66.5 -69.7 -14.1 27.3 10.9 15.2 103 103 A D G < S+ 0 0 76 -3,-2.2 2,-0.5 23,-0.0 -1,-0.3 0.603 83.2 91.1 -74.5 -16.8 27.1 10.9 11.4 104 104 A I < - 0 0 4 -3,-1.8 -49,-0.2 -4,-0.5 3,-0.1 -0.741 58.4-167.2 -85.7 125.3 23.8 12.8 11.7 105 105 A S S S+ 0 0 49 -51,-1.8 22,-2.5 -2,-0.5 2,-0.4 0.932 74.1 9.9 -70.5 -47.4 24.2 16.6 11.7 106 106 A T E -ef 55 127A 17 -52,-1.6 -50,-2.7 20,-0.2 2,-0.5 -0.997 58.7-156.7-143.0 128.9 20.6 17.4 12.7 107 107 A V E -ef 56 128A 0 20,-3.4 22,-3.3 -2,-0.4 2,-0.7 -0.968 13.2-155.8-108.6 122.1 17.7 15.3 14.0 108 108 A V E -ef 57 129A 0 -52,-3.7 -50,-2.8 -2,-0.5 2,-0.7 -0.906 5.3-155.5 -94.6 116.6 14.3 16.9 13.5 109 109 A L - 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0 0 63 -3,-0.2 2,-0.4 -2,-0.1 -4,-0.2 -0.459 21.4-162.4 -63.2 137.3 31.1 53.3 -37.2 1057 226 D R - 0 0 112 -6,-2.4 -4,-0.1 -7,-0.2 -204,-0.0 -0.982 15.2-123.9-132.2 120.6 34.7 52.2 -38.0 1058 227 D R - 0 0 103 -2,-0.4 -205,-2.2 -206,-0.1 2,-0.1 -0.237 18.5-128.9 -66.6 145.7 35.4 49.1 -40.1 1059 228 D A - 0 0 6 -207,-0.3 3,-0.3 1,-0.2 -208,-0.2 -0.346 31.1-104.1 -74.4 170.0 37.6 46.2 -38.9 1060 229 D G S S+ 0 0 10 -210,-2.2 -1,-0.2 1,-0.2 -210,-0.1 -0.289 95.2 32.7 -81.5 178.4 40.4 45.0 -41.1 1061 230 D V S S+ 0 0 99 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.817 76.3 168.4 41.5 54.4 40.3 41.7 -43.1 1062 231 D L - 0 0 28 -3,-0.3 3,-0.3 1,-0.2 -40,-0.2 -0.802 32.3-151.4 -95.2 136.1 36.5 41.8 -43.8 1063 232 D H S S+ 0 0 126 -41,-1.8 2,-0.5 -2,-0.4 -41,-0.2 0.972 89.8 14.8 -62.9 -54.3 35.1 39.4 -46.4 1064 233 D D > - 0 0 46 -43,-3.2 4,-2.6 -41,-0.2 -1,-0.3 -0.917 64.7-173.1-131.9 99.3 32.1 41.6 -47.5 1065 234 D T H > S+ 0 0 55 -2,-0.5 4,-2.7 -3,-0.3 5,-0.1 0.872 86.4 50.5 -65.5 -38.8 32.4 45.3 -46.4 1066 235 D I H > S+ 0 0 84 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.946 114.1 45.1 -62.6 -50.2 28.9 46.3 -47.6 1067 236 D G H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 -2,-0.2 0.901 113.3 51.4 -58.5 -44.7 27.3 43.3 -45.8 1068 237 D Y H X S+ 0 0 6 -4,-2.6 4,-2.1 -47,-0.3 -2,-0.2 0.934 110.4 48.3 -56.9 -48.6 29.5 44.2 -42.8 1069 238 D D H X S+ 0 0 58 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.926 113.0 47.4 -59.7 -45.7 28.3 47.8 -42.8 1070 239 D R H X S+ 0 0 181 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.867 109.2 54.9 -65.9 -38.3 24.7 46.9 -43.1 1071 240 D T H X S+ 0 0 10 -4,-2.3 4,-3.0 2,-0.2 -1,-0.2 0.909 105.7 50.7 -61.6 -44.7 25.0 44.3 -40.3 1072 241 D V H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 -1,-0.2 0.914 112.0 48.2 -61.4 -42.4 26.4 46.9 -37.9 1073 242 D S H X S+ 0 0 77 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.897 112.6 48.7 -62.1 -41.8 23.5 49.2 -38.7 1074 243 D H H X S+ 0 0 75 -4,-2.3 4,-3.2 2,-0.2 -2,-0.2 0.907 109.8 51.3 -65.5 -44.0 21.0 46.4 -38.2 1075 244 D I H X S+ 0 0 0 -4,-3.0 4,-3.0 2,-0.2 5,-0.3 0.930 112.1 47.3 -53.3 -50.2 22.6 45.4 -34.9 1076 245 D R H X S+ 0 0 43 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.949 114.8 45.6 -59.3 -52.7 22.3 49.0 -33.7 1077 246 D Q H X S+ 0 0 99 -4,-2.8 4,-1.3 1,-0.2 -2,-0.2 0.911 116.5 46.6 -55.2 -47.3 18.7 49.2 -34.9 1078 247 D Y H X S+ 0 0 8 -4,-3.2 4,-0.6 1,-0.2 -2,-0.2 0.903 116.5 40.6 -66.4 -45.5 17.9 45.8 -33.3 1079 248 D A H >X>S+ 0 0 2 -4,-3.0 5,-2.3 -5,-0.2 4,-0.9 0.894 112.2 54.2 -72.6 -41.2 19.5 46.4 -29.9 1080 249 D E H 3<5S+ 0 0 135 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.790 107.2 52.4 -70.6 -20.5 18.4 50.0 -29.4 1081 250 D S H 3<5S+ 0 0 74 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.678 116.6 37.6 -83.5 -20.3 14.7 49.0 -30.0 1082 251 D R H <<5S- 0 0 102 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.372 108.4-116.3-112.1 1.3 14.8 46.2 -27.4 1083 252 D S T <5 + 0 0 82 -4,-0.9 -45,-0.4 1,-0.2 2,-0.3 0.829 61.4 156.2 66.2 33.2 17.0 47.9 -24.8 1084 253 D L < - 0 0 13 -5,-2.3 2,-0.6 -47,-0.2 -45,-0.3 -0.718 44.5-128.4 -96.2 138.9 19.7 45.2 -25.3 1085 254 D T E -t 1039 0H 75 -47,-2.5 -45,-2.3 -2,-0.3 2,-0.5 -0.785 26.2-130.1 -81.8 123.0 23.3 45.7 -24.5 1086 255 D V E -t 1040 0H 10 -2,-0.6 2,-0.6 -47,-0.2 -45,-0.2 -0.637 15.8-153.4 -73.9 122.9 25.5 44.7 -27.5 1087 256 D L E -t 1041 0H 2 -47,-2.6 -45,-1.9 -2,-0.5 -44,-0.7 -0.906 17.8-142.7-102.8 117.5 28.3 42.3 -26.5 1088 257 D F E -t 1043 0H 15 -2,-0.6 3,-0.3 -46,-0.2 -41,-0.2 -0.191 14.6-116.0 -80.9 164.5 31.2 42.7 -28.9 1089 258 D G S S+ 0 0 5 -43,-2.2 -214,-0.4 -46,-1.2 -42,-0.2 0.886 101.0 2.1 -65.5 -41.1 33.5 40.0 -30.3 1090 259 D H S S+ 0 0 5 -43,-2.8 2,-0.7 -47,-0.2 -1,-0.2 -0.376 78.4 145.9-154.1 53.9 36.9 41.2 -28.9 1091 260 D D > - 0 0 16 -3,-0.3 4,-2.9 1,-0.2 5,-0.2 -0.875 25.7-169.2-106.8 104.8 36.5 44.3 -26.7 1092 261 D R H > S+ 0 0 141 -2,-0.7 4,-2.3 1,-0.2 -1,-0.2 0.908 86.0 48.4 -59.0 -45.2 39.0 44.3 -23.8 1093 262 D E H > S+ 0 0 168 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.931 115.9 41.9 -65.5 -50.4 37.4 47.2 -22.0 1094 263 D Q H >> S+ 0 0 33 1,-0.2 4,-0.8 2,-0.2 3,-0.7 0.908 112.1 55.5 -61.4 -43.7 33.8 45.8 -22.2 1095 264 D F H >< S+ 0 0 15 -4,-2.9 3,-1.1 1,-0.2 -2,-0.2 0.904 102.8 55.6 -61.1 -40.4 34.9 42.3 -21.4 1096 265 D A H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.822 103.7 56.8 -57.0 -32.4 36.6 43.5 -18.1 1097 266 D S H << S+ 0 0 84 -4,-1.0 -1,-0.2 -3,-0.7 2,-0.2 0.663 90.8 95.1 -73.2 -20.0 33.2 45.0 -17.0 1098 267 D L S << S- 0 0 12 -3,-1.1 2,-0.5 -4,-0.8 -3,-0.0 -0.524 80.0-119.4 -81.2 141.4 31.4 41.7 -17.3 1099 268 D I - 0 0 73 -2,-0.2 -261,-0.6 4,-0.0 2,-0.1 -0.672 37.3-135.9 -71.3 124.1 30.8 39.3 -14.5 1100 269 D K B >> -k 838 0G 36 -2,-0.5 4,-2.6 -263,-0.1 3,-1.9 -0.417 19.6-106.5 -86.1 160.5 32.6 36.0 -15.5 1101 270 D S T 34 S+ 0 0 8 -263,-2.9 -262,-0.1 1,-0.3 -1,-0.1 0.692 117.6 60.9 -57.0 -24.7 31.1 32.5 -15.1 1102 271 D T T 34 S+ 0 0 74 -264,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.710 116.7 29.9 -76.5 -20.7 33.5 31.8 -12.1 1103 272 D D T <4 S- 0 0 137 -3,-1.9 2,-0.2 1,-0.2 -2,-0.2 0.768 124.0 -48.9-109.8 -38.8 31.9 34.7 -10.1 1104 273 D G < - 0 0 21 -4,-2.6 2,-0.3 -266,-0.1 -266,-0.3 -0.861 45.1-116.1-168.4-157.5 28.3 35.0 -11.2 1105 274 D F - 0 0 87 -2,-0.2 2,-0.4 -268,-0.1 -268,-0.2 -0.952 25.0-106.0-155.5 172.1 25.7 35.3 -14.0 1106 275 D Y B J 836 0G 28 -270,-2.7 -270,-2.1 -2,-0.3 -70,-0.0 -0.840 360.0 360.0-104.7 142.6 23.2 37.7 -15.4 1107 276 D E 0 0 71 -2,-0.4 -73,-2.2 -272,-0.2 -72,-1.7 0.285 360.0 360.0-142.2 360.0 19.4 37.3 -15.0 1108 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 1109 1 E M 0 0 215 0, 0.0 50,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0-154.3 41.3 37.4 47.7 1110 2 E G - 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