==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-10 3PZL . COMPND 2 MOLECULE: AGMATINE UREOHYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOPLASMA VOLCANIUM GSS1; . AUTHOR Z.ZHANG,S.K.BURLEY,S.SWAMINATHAN,NEW YORK SGX RESEARCH CENTE . 873 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33762.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 631 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 143 16.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 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 . 3 0.3 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 . 67 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 122 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 246 28.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.6 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 4 2 1 3 0 6 2 3 0 0 0 0 0 3 0 1 2 0 0 1 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 0 3 7 2 9 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 . 4 3 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 3 0 0 0 0 0 3 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 13 A A > 0 0 83 0, 0.0 4,-0.7 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0 -40.0 -10.9 -12.2 12.3 2 14 A S H > + 0 0 80 2,-0.2 4,-1.2 3,-0.1 5,-0.1 0.707 360.0 62.6 -93.1 -29.4 -7.7 -13.4 10.8 3 15 A E H 4 S+ 0 0 151 1,-0.2 4,-0.2 2,-0.2 -1,-0.1 0.717 104.6 51.4 -60.1 -23.9 -7.3 -15.7 13.8 4 16 A L H >> S+ 0 0 97 2,-0.2 4,-3.1 1,-0.2 3,-0.8 0.839 104.2 51.4 -81.3 -39.6 -10.5 -17.2 12.4 5 17 A R H 3< S+ 0 0 195 -4,-0.7 -2,-0.2 1,-0.3 -1,-0.2 0.721 108.7 57.2 -66.3 -19.6 -9.2 -17.7 8.8 6 18 A S T 3< S+ 0 0 99 -4,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.692 114.7 34.2 -83.8 -21.3 -6.4 -19.4 10.7 7 19 A I T <4 S+ 0 0 120 -3,-0.8 2,-0.3 -4,-0.2 -2,-0.2 0.755 117.6 49.9-102.4 -35.8 -8.8 -21.9 12.3 8 20 A F < + 0 0 150 -4,-3.1 2,-0.3 -5,-0.0 -1,-0.1 -0.817 59.2 167.8-111.7 149.2 -11.5 -22.4 9.6 9 21 A S - 0 0 113 -2,-0.3 2,-0.1 -3,-0.1 3,-0.1 -0.987 32.3-110.8-154.4 151.5 -11.0 -23.2 5.9 10 22 A L - 0 0 160 -2,-0.3 2,-0.0 1,-0.1 0, 0.0 -0.424 53.8 -73.6 -84.0 163.6 -13.2 -24.3 3.1 11 23 A K + 0 0 122 -2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.290 66.3 149.2 -64.3 134.9 -13.0 -27.8 1.5 12 24 A K - 0 0 122 38,-0.2 2,-0.5 -3,-0.1 5,-0.0 -0.937 58.6 -76.3-152.0 162.8 -9.9 -28.4 -0.7 13 25 A I > - 0 0 1 -2,-0.3 3,-2.0 1,-0.1 37,-0.1 -0.697 53.9-125.7 -65.5 127.1 -7.5 -31.1 -1.8 14 26 A A T 3 S+ 0 0 57 -2,-0.5 -1,-0.1 1,-0.3 44,-0.0 0.803 103.5 43.9 -52.2 -40.0 -5.4 -31.5 1.4 15 27 A D T 3 S+ 0 0 4 1,-0.1 2,-2.1 2,-0.1 57,-0.5 0.429 82.1 101.4 -89.3 1.0 -2.0 -30.9 -0.2 16 28 A A < + 0 0 3 -3,-2.0 58,-0.4 1,-0.2 -1,-0.1 -0.483 39.4 140.5 -86.0 71.7 -3.0 -28.0 -2.4 17 29 A V + 0 0 101 -2,-2.1 -1,-0.2 56,-0.1 56,-0.1 0.855 43.7 83.6 -83.4 -37.0 -1.5 -25.5 -0.1 18 30 A N S S- 0 0 43 54,-1.1 56,-0.3 -3,-0.4 2,-0.0 -0.378 75.8-128.2 -72.6 140.7 -0.0 -23.2 -2.7 19 31 A G > - 0 0 44 54,-0.1 3,-1.1 -2,-0.1 4,-0.4 -0.234 39.5 -89.4 -71.8 175.2 -2.1 -20.5 -4.3 20 32 A Y G > S+ 0 0 72 1,-0.2 3,-1.3 2,-0.2 53,-0.1 0.861 120.9 63.3 -54.8 -42.0 -2.3 -20.2 -8.2 21 33 A E G 3 S+ 0 0 159 1,-0.3 -1,-0.2 3,-0.0 -3,-0.0 0.737 113.0 32.7 -57.4 -28.8 0.7 -17.8 -8.4 22 34 A E G < S+ 0 0 127 -3,-1.1 2,-0.3 3,-0.1 -1,-0.3 0.276 93.3 116.0-115.2 6.2 3.1 -20.4 -7.1 23 35 A A < - 0 0 4 -3,-1.3 49,-0.2 -4,-0.4 3,-0.1 -0.604 39.1-176.9 -90.9 137.8 1.6 -23.6 -8.3 24 36 A K S S+ 0 0 102 47,-2.5 80,-2.4 -2,-0.3 2,-0.5 0.763 86.7 44.9 -86.7 -34.8 3.2 -25.9 -10.8 25 37 A Y E S-ab 72 104A 0 46,-2.4 48,-2.5 78,-0.2 2,-0.7 -0.943 71.0-165.0-116.5 124.7 0.0 -28.0 -10.7 26 38 A V E -ab 73 105A 0 78,-1.9 80,-2.7 -2,-0.5 2,-0.4 -0.887 5.2-167.2-118.4 101.8 -3.4 -26.4 -10.9 27 39 A V E +ab 74 106A 0 46,-2.8 48,-1.7 -2,-0.7 49,-0.6 -0.719 17.1 162.1 -87.2 131.4 -6.3 -28.7 -9.8 28 40 A F E -ab 76 107A 13 78,-2.2 80,-3.0 -2,-0.4 2,-0.4 -0.933 27.1-126.9-144.8 169.5 -9.8 -27.4 -10.7 29 41 A G E -ab 77 108A 2 47,-2.1 49,-1.6 -2,-0.3 80,-0.2 -0.942 8.8-165.7-128.5 139.7 -13.3 -28.9 -11.0 30 42 A I E - b 0 109A 7 78,-3.5 2,-2.5 -2,-0.4 80,-0.9 -0.838 9.9-159.2-128.5 95.3 -16.0 -28.9 -13.7 31 43 A P + 0 0 9 0, 0.0 2,-0.4 0, 0.0 50,-0.3 -0.295 37.7 145.0 -72.5 54.9 -19.4 -30.0 -12.4 32 44 A F + 0 0 1 -2,-2.5 79,-3.2 10,-0.2 78,-0.3 -0.858 8.2 141.0-108.8 137.7 -21.0 -31.0 -15.7 33 45 A D > + 0 0 2 -2,-0.4 3,-2.3 48,-0.4 2,-1.1 0.451 30.8 118.2-140.8 -22.2 -23.3 -33.8 -16.2 34 46 A N T 3 S+ 0 0 65 47,-0.4 50,-0.1 1,-0.3 6,-0.0 0.154 75.3 44.0 -68.9 19.0 -26.0 -32.7 -18.6 35 47 A T T 3 S+ 0 0 20 -2,-1.1 2,-0.5 49,-0.0 -1,-0.3 0.297 82.9 113.2-126.3 4.3 -25.6 -35.1 -21.6 36 48 A S < + 0 0 8 -3,-2.3 -3,-0.0 1,-0.2 75,-0.0 -0.634 37.9 177.9 -84.1 124.5 -25.2 -38.3 -19.6 37 49 A S + 0 0 95 -2,-0.5 -1,-0.2 3,-0.0 3,-0.1 0.842 65.7 45.1 -99.0 -34.0 -28.1 -40.6 -20.0 38 50 A Y S S+ 0 0 72 1,-0.3 2,-0.4 308,-0.1 193,-0.1 0.989 119.3 7.7 -77.7 -78.8 -27.5 -43.8 -18.0 39 51 A R - 0 0 8 191,-0.9 2,-0.3 189,-0.0 -1,-0.3 -0.874 70.0-157.3-102.3 144.1 -26.2 -42.9 -14.5 40 52 A R + 0 0 103 -2,-0.4 224,-0.1 1,-0.1 222,-0.1 -0.774 54.4 83.6-115.2 160.9 -26.1 -39.4 -13.2 41 53 A G > + 0 0 1 -2,-0.3 3,-2.5 222,-0.1 -1,-0.1 0.184 44.9 117.6 129.6 -14.6 -24.0 -37.8 -10.5 42 54 A S G > + 0 0 1 1,-0.3 3,-2.1 -3,-0.2 -10,-0.2 0.749 67.2 77.1 -48.3 -29.4 -20.7 -37.0 -12.2 43 55 A K G 3 S+ 0 0 54 1,-0.3 -1,-0.3 -12,-0.2 4,-0.3 0.890 97.3 45.5 -43.6 -41.8 -21.7 -33.4 -11.2 44 56 A Y G <> S+ 0 0 113 -3,-2.5 4,-1.5 1,-0.2 -1,-0.3 0.225 84.4 100.6 -92.7 12.4 -20.5 -34.3 -7.7 45 57 A A H <> S+ 0 0 1 -3,-2.1 4,-1.9 2,-0.2 5,-0.2 0.951 77.5 50.4 -69.8 -47.7 -17.3 -36.1 -8.7 46 58 A P H > S+ 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.3 0.924 111.5 49.5 -56.0 -46.6 -14.8 -33.3 -7.9 47 59 A D H > S+ 0 0 71 -4,-0.3 4,-1.5 1,-0.2 -2,-0.2 0.866 109.8 50.1 -59.9 -39.4 -16.2 -32.7 -4.4 48 60 A S H X S+ 0 0 24 -4,-1.5 4,-2.8 2,-0.2 -1,-0.2 0.814 107.3 55.1 -75.9 -26.5 -16.1 -36.4 -3.5 49 61 A I H X S+ 0 0 2 -4,-1.9 4,-1.8 -3,-0.3 -1,-0.2 0.865 104.9 52.4 -70.4 -37.7 -12.5 -36.6 -4.7 50 62 A R H X S+ 0 0 11 -4,-2.0 4,-0.6 -5,-0.2 -36,-0.3 0.877 111.6 50.0 -58.3 -36.1 -11.7 -33.8 -2.3 51 63 A G H >< S+ 0 0 26 -4,-1.5 3,-1.0 1,-0.2 4,-0.4 0.978 110.2 46.1 -67.9 -58.8 -13.4 -36.0 0.3 52 64 A A H >< S+ 0 0 3 -4,-2.8 3,-1.0 1,-0.2 4,-0.3 0.804 98.9 73.7 -45.2 -40.7 -11.6 -39.2 -0.5 53 65 A Y H >< S+ 0 0 2 -4,-1.8 3,-2.1 1,-0.2 -1,-0.2 0.793 81.0 68.5 -56.8 -35.1 -8.2 -37.4 -0.5 54 66 A V T << S+ 0 0 97 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.1 0.910 93.4 58.6 -53.8 -44.9 -8.0 -37.0 3.3 55 67 A N T < S+ 0 0 24 -3,-1.0 -1,-0.3 -4,-0.4 2,-0.2 0.643 95.2 89.8 -55.1 -15.8 -7.6 -40.8 3.7 56 68 A L S < S- 0 0 12 -3,-2.1 2,-0.2 -4,-0.3 700,-0.0 -0.557 82.3-113.5 -88.3 151.5 -4.4 -40.5 1.5 57 69 A E - 0 0 38 -2,-0.2 10,-0.1 2,-0.2 700,-0.1 -0.561 14.2-132.0 -79.8 144.5 -0.8 -39.8 2.7 58 70 A S S S+ 0 0 39 -2,-0.2 9,-1.7 8,-0.1 10,-0.8 0.482 93.3 67.3 -71.1 -2.0 0.9 -36.5 1.8 59 71 A Y E S-H 66 0B 21 7,-0.2 2,-0.6 8,-0.1 698,-0.4 -0.973 77.6-140.3-123.8 135.1 3.8 -38.7 0.8 60 72 A E E >> -H 65 0B 3 5,-3.8 5,-1.3 -2,-0.4 4,-1.2 -0.814 11.9-167.8 -97.6 120.9 4.0 -41.1 -2.0 61 73 A Y T 45S+ 0 0 51 -2,-0.6 -1,-0.2 694,-0.3 695,-0.1 0.872 82.1 52.7 -80.0 -40.2 5.9 -44.2 -1.1 62 74 A S T 45S+ 0 0 36 693,-0.3 -1,-0.2 1,-0.2 694,-0.0 0.751 124.0 27.7 -64.8 -29.6 6.3 -45.8 -4.5 63 75 A Y T 45S- 0 0 12 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.2 0.478 100.5-126.7-112.6 -9.0 7.9 -42.7 -6.0 64 76 A G T <5 + 0 0 21 -4,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.905 60.3 139.3 61.1 44.7 9.4 -41.1 -2.9 65 77 A I E < -H 60 0B 14 -5,-1.3 -5,-3.8 3,-0.0 2,-0.7 -0.946 49.2-143.9-120.9 143.7 7.7 -37.8 -3.4 66 78 A D E > -H 59 0B 32 -2,-0.4 3,-2.1 -7,-0.2 -7,-0.2 -0.914 8.7-159.1-102.1 110.7 6.1 -35.5 -0.8 67 79 A L G > S+ 0 0 1 -9,-1.7 3,-1.7 -2,-0.7 5,-0.4 0.735 87.2 70.9 -62.9 -24.2 3.1 -33.8 -2.5 68 80 A L G 3 S+ 0 0 72 -10,-0.8 -1,-0.3 1,-0.3 3,-0.2 0.726 104.5 41.6 -60.6 -22.9 3.2 -31.0 0.1 69 81 A A G < S+ 0 0 76 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.105 93.4 86.6-113.3 20.1 6.3 -29.8 -1.7 70 82 A S S < S- 0 0 1 -3,-1.7 -46,-0.2 -55,-0.2 -2,-0.1 0.539 97.5-116.6 -98.4 -11.7 5.1 -30.4 -5.2 71 83 A G + 0 0 6 -4,-0.4 -47,-2.5 -3,-0.2 -46,-2.4 0.957 48.7 169.1 79.6 55.1 3.4 -27.1 -5.6 72 84 A X E -a 25 0A 2 -57,-0.5 -54,-1.1 -5,-0.4 2,-0.3 -0.770 13.3-170.9 -99.4 143.5 -0.3 -27.9 -6.0 73 85 A A E -a 26 0A 2 -48,-2.5 -46,-2.8 -2,-0.3 2,-0.4 -0.917 11.1-154.5-124.2 156.3 -3.2 -25.5 -6.0 74 86 A D E +a 27 0A 9 -58,-0.4 -46,-0.2 -56,-0.3 3,-0.1 -0.925 11.2 179.1-130.1 109.0 -6.9 -26.1 -5.9 75 87 A L E - 0 0 102 -48,-1.7 2,-0.4 -2,-0.4 -47,-0.2 0.751 39.7-138.1 -75.5 -27.7 -9.1 -23.3 -7.3 76 88 A G E -a 28 0A 19 -49,-0.6 -47,-2.1 -30,-0.0 2,-0.3 -0.889 39.4 -22.9 110.9-134.6 -12.3 -25.2 -6.7 77 89 A D E -a 29 0A 77 -2,-0.4 -47,-0.2 -49,-0.2 2,-0.2 -0.896 48.1-129.1-124.5 152.3 -15.3 -25.6 -8.9 78 90 A X - 0 0 42 -49,-1.6 3,-0.1 -2,-0.3 -2,-0.0 -0.474 50.0 -74.0 -86.6 162.2 -16.9 -23.6 -11.7 79 91 A E - 0 0 147 -2,-0.2 2,-0.2 1,-0.1 -1,-0.2 -0.288 52.9-108.7 -52.4 138.5 -20.6 -22.6 -11.8 80 92 A E + 0 0 107 -3,-0.1 2,-0.3 -50,-0.1 -48,-0.1 -0.547 47.6 175.3 -67.5 137.7 -22.9 -25.5 -12.5 81 93 A S - 0 0 38 -50,-0.3 -47,-0.4 -2,-0.2 -48,-0.4 -0.965 38.0-148.1-142.0 159.2 -24.4 -25.1 -16.0 82 94 A E S S+ 0 0 152 -2,-0.3 2,-0.9 -50,-0.1 -1,-0.0 0.447 74.8 95.8 -99.8 -3.9 -26.7 -27.1 -18.3 83 95 A D >> - 0 0 80 1,-0.2 4,-2.4 2,-0.0 3,-0.5 -0.755 52.6-168.5-104.3 101.5 -25.0 -25.9 -21.5 84 96 A V H 3> S+ 0 0 5 -2,-0.9 4,-3.1 1,-0.2 5,-0.2 0.825 89.8 53.6 -50.4 -38.9 -22.3 -28.1 -23.0 85 97 A E H 3> S+ 0 0 99 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 110.6 44.2 -71.3 -40.9 -21.2 -25.3 -25.3 86 98 A Y H <> S+ 0 0 103 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.861 115.1 50.4 -64.0 -38.3 -20.7 -22.7 -22.6 87 99 A V H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.948 111.4 47.5 -68.9 -47.2 -19.0 -25.3 -20.4 88 100 A I H X S+ 0 0 0 -4,-3.1 4,-2.4 -5,-0.2 -2,-0.2 0.912 110.3 53.1 -57.4 -48.0 -16.6 -26.3 -23.3 89 101 A D H X S+ 0 0 80 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.914 110.4 46.7 -52.6 -50.4 -15.8 -22.7 -24.1 90 102 A T H X S+ 0 0 37 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.896 109.6 52.9 -62.7 -44.4 -14.8 -21.9 -20.5 91 103 A V H X S+ 0 0 1 -4,-2.3 4,-3.2 1,-0.2 5,-0.2 0.953 106.3 55.9 -54.9 -51.3 -12.7 -25.1 -20.2 92 104 A E H X S+ 0 0 61 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.887 110.8 41.2 -44.6 -55.6 -10.8 -24.0 -23.4 93 105 A S H X S+ 0 0 71 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.857 114.6 52.4 -69.1 -35.0 -9.8 -20.5 -22.0 94 106 A V H X S+ 0 0 51 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.961 111.0 46.4 -62.9 -51.7 -9.0 -21.9 -18.6 95 107 A V H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 5,-0.3 0.917 110.1 54.6 -60.3 -45.1 -6.7 -24.6 -20.0 96 108 A S H X S+ 0 0 43 -4,-2.3 4,-3.4 -5,-0.2 -1,-0.2 0.943 109.6 47.5 -41.7 -59.2 -5.0 -22.0 -22.3 97 109 A A H X S+ 0 0 42 -4,-2.1 4,-2.2 2,-0.2 6,-0.2 0.916 111.8 46.8 -59.9 -53.4 -4.1 -19.8 -19.4 98 110 A V H <>S+ 0 0 5 -4,-2.2 5,-2.3 2,-0.2 3,-0.5 0.965 117.5 43.4 -51.7 -56.5 -2.7 -22.5 -17.1 99 111 A X H ><5S+ 0 0 38 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.924 112.2 54.4 -59.5 -44.4 -0.6 -23.9 -19.9 100 112 A S H 3<5S+ 0 0 94 -4,-3.4 -1,-0.3 -5,-0.3 -2,-0.2 0.847 103.7 55.7 -56.2 -36.3 0.4 -20.5 -21.0 101 113 A D T 3<5S- 0 0 91 -4,-2.2 -1,-0.3 -3,-0.5 -2,-0.2 0.075 124.8-100.7 -90.6 26.1 1.6 -19.6 -17.6 102 114 A G T < 5S+ 0 0 72 -3,-1.7 2,-0.2 1,-0.2 -3,-0.2 0.602 85.2 123.0 68.2 13.4 4.0 -22.6 -17.5 103 115 A K < - 0 0 32 -5,-2.3 -1,-0.2 -6,-0.2 -78,-0.2 -0.630 61.7-120.6-107.4 166.5 1.6 -24.7 -15.3 104 116 A I E -b 25 0A 13 -80,-2.4 -78,-1.9 -2,-0.2 151,-0.2 -0.900 23.8-139.0-110.8 111.1 -0.1 -28.1 -15.7 105 117 A P E -b 26 0A 1 0, 0.0 151,-2.1 0, 0.0 2,-0.5 -0.489 14.8-169.8 -72.1 133.0 -3.9 -28.2 -15.7 106 118 A I E -bc 27 256A 0 -80,-2.7 -78,-2.2 -2,-0.2 2,-0.6 -0.933 12.8-163.2-121.7 107.0 -5.5 -31.1 -13.7 107 119 A X E -bc 28 257A 0 149,-2.4 151,-1.7 -2,-0.5 2,-0.5 -0.795 11.3-166.0-102.5 123.1 -9.1 -31.1 -14.4 108 120 A L E +bc 29 258A 0 -80,-3.0 -78,-3.5 -2,-0.6 2,-0.2 -0.912 28.8 157.5-100.8 124.7 -11.7 -33.0 -12.3 109 121 A G E -b 30 0A 2 149,-1.9 152,-0.2 -2,-0.5 3,-0.1 -0.461 48.4-128.8-122.1-168.2 -15.0 -33.3 -14.0 110 122 A G S S+ 0 0 0 -80,-0.9 150,-3.3 1,-0.3 -1,-0.3 0.425 87.7 33.4 -98.1 -93.4 -18.2 -35.0 -14.4 111 123 A E S > S- 0 0 0 -79,-3.2 3,-0.8 148,-0.2 -1,-0.3 -0.151 71.5-127.6 -75.0 160.6 -18.7 -35.8 -18.1 112 124 A H G > S+ 0 0 0 1,-0.2 3,-2.6 2,-0.1 4,-0.3 0.792 96.2 78.3 -68.6 -34.1 -16.1 -36.6 -20.7 113 125 A S G > S+ 0 0 0 1,-0.3 3,-1.3 2,-0.2 4,-0.5 0.638 76.2 74.0 -63.2 -14.5 -17.2 -34.0 -23.1 114 126 A I G X> S+ 0 0 0 -3,-0.8 4,-0.9 1,-0.3 3,-0.6 0.752 82.2 71.5 -67.1 -23.4 -15.4 -31.2 -21.2 115 127 A T H <> S+ 0 0 0 -3,-2.6 4,-2.8 1,-0.2 -1,-0.3 0.756 83.5 71.5 -58.9 -26.5 -12.1 -32.7 -22.6 116 128 A V H <> S+ 0 0 2 -3,-1.3 4,-1.7 -4,-0.3 -1,-0.2 0.932 95.6 50.2 -58.1 -45.8 -13.2 -31.2 -25.9 117 129 A G H <4 S+ 0 0 0 -3,-0.6 4,-0.5 -4,-0.5 -1,-0.2 0.846 109.5 51.9 -59.9 -35.1 -12.5 -27.8 -24.6 118 130 A A H >X S+ 0 0 0 -4,-0.9 3,-2.0 1,-0.2 4,-0.6 0.953 105.3 53.7 -68.5 -50.2 -9.1 -29.0 -23.4 119 131 A V H >< S+ 0 0 2 -4,-2.8 3,-1.9 1,-0.3 -2,-0.2 0.884 98.3 66.3 -46.7 -42.5 -8.2 -30.4 -26.9 120 132 A R T 3< S+ 0 0 59 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.740 101.2 49.3 -55.5 -25.9 -9.0 -27.0 -28.4 121 133 A A T <4 S+ 0 0 19 -3,-2.0 -1,-0.3 -4,-0.5 -2,-0.2 0.556 84.3 118.1 -93.0 -10.2 -6.0 -25.5 -26.6 122 134 A L << - 0 0 18 -3,-1.9 6,-0.0 -4,-0.6 -26,-0.0 -0.370 58.1-136.9 -63.2 126.2 -3.5 -28.2 -27.6 123 135 A P - 0 0 57 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.061 33.0 -95.7 -65.3 179.9 -0.5 -27.1 -29.7 124 136 A K S S+ 0 0 176 1,-0.2 -2,-0.1 3,-0.0 0, 0.0 0.737 119.2 56.5 -82.2 -22.8 0.7 -29.1 -32.7 125 137 A D S S+ 0 0 93 84,-0.1 86,-1.3 85,-0.1 85,-0.5 0.717 90.1 92.1 -76.5 -20.3 3.4 -31.1 -31.0 126 138 A V E -d 211 0A 0 -3,-0.4 2,-0.3 84,-0.2 86,-0.3 -0.580 59.8-161.6 -82.5 132.8 0.9 -32.5 -28.3 127 139 A D E -d 212 0A 19 84,-2.2 86,-2.1 -2,-0.3 2,-0.4 -0.857 18.9-116.3-113.4 152.2 -0.9 -35.8 -28.9 128 140 A L E -de 213 164A 0 35,-2.0 37,-2.2 -2,-0.3 2,-0.5 -0.692 23.8-172.6 -96.6 134.0 -4.0 -37.1 -27.2 129 141 A V E -de 214 165A 1 84,-2.7 86,-2.7 -2,-0.4 2,-0.4 -0.966 9.9-174.0-127.4 115.3 -4.1 -40.2 -25.0 130 142 A I E -de 215 166A 0 35,-3.3 37,-2.6 -2,-0.5 2,-0.5 -0.856 19.6-156.2-112.2 140.6 -7.5 -41.4 -23.8 131 143 A V E +de 216 167A 2 84,-2.4 86,-3.0 -2,-0.4 2,-0.3 -0.979 42.3 136.8-107.5 125.2 -8.4 -44.2 -21.4 132 144 A D - 0 0 0 35,-2.5 86,-0.1 -2,-0.5 -2,-0.1 -0.969 56.1-142.1-167.9 146.6 -12.0 -45.3 -22.2 133 145 A A S S+ 0 0 0 -2,-0.3 37,-3.1 36,-0.2 38,-1.7 0.661 92.0 49.8 -88.2 -19.3 -14.3 -48.3 -22.6 134 146 A H B S-i 171 0C 22 35,-0.2 2,-0.7 36,-0.2 38,-0.2 -0.922 81.1-125.3-115.6 146.8 -16.2 -46.7 -25.5 135 147 A S - 0 0 3 36,-1.4 2,-1.6 -2,-0.4 3,-0.3 -0.803 23.0-150.8 -74.3 121.5 -15.0 -45.0 -28.7 136 148 A D + 0 0 7 -2,-0.7 17,-1.7 1,-0.2 16,-1.3 -0.578 55.7 127.1 -93.5 71.6 -16.8 -41.7 -28.3 137 149 A F + 0 0 0 -2,-1.6 -1,-0.2 15,-0.2 13,-0.2 0.415 19.8 131.3-119.2 -2.8 -16.9 -41.4 -32.1 138 150 A R - 0 0 37 11,-1.3 15,-0.2 -3,-0.3 3,-0.1 -0.217 59.1-132.9 -48.1 137.7 -20.6 -40.8 -32.9 139 151 A S S S- 0 0 78 1,-0.3 2,-0.3 14,-0.1 -1,-0.1 0.859 86.3 -17.7 -61.7 -36.2 -21.1 -37.9 -35.4 140 152 A S - 0 0 48 9,-0.1 2,-0.3 6,-0.1 -1,-0.3 -0.971 60.7-158.6-163.0 158.8 -23.8 -36.7 -33.0 141 153 A Y B > S-J 144 0D 90 3,-2.3 3,-1.0 -2,-0.3 6,-0.3 -0.971 75.5 -1.9-150.0 134.2 -26.0 -38.0 -30.2 142 154 A X T 3 S- 0 0 145 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.869 127.1 -59.1 53.9 43.9 -29.3 -36.7 -28.9 143 155 A G T 3 S+ 0 0 86 1,-0.2 2,-0.4 2,-0.0 -1,-0.2 0.783 118.2 110.4 53.1 29.7 -29.3 -33.8 -31.3 144 156 A N B X -J 141 0D 46 -3,-1.0 -3,-2.3 1,-0.1 3,-0.8 -0.987 54.9-163.5-135.1 128.6 -26.0 -32.6 -29.8 145 157 A K T 3 S+ 0 0 137 -2,-0.4 9,-0.2 1,-0.2 -1,-0.1 0.622 97.6 54.8 -77.6 -14.2 -22.5 -32.7 -31.4 146 158 A Y T 3 S+ 0 0 51 -5,-0.1 -1,-0.2 3,-0.0 -30,-0.1 0.201 73.1 134.3-108.4 11.3 -21.1 -32.2 -27.9 147 159 A N S X S- 0 0 5 -3,-0.8 3,-2.1 -6,-0.3 4,-0.2 -0.377 72.4-112.8 -49.5 139.6 -22.8 -35.2 -26.4 148 160 A H T 3 S+ 0 0 24 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.438 115.2 69.8 -69.2 2.9 -20.1 -37.0 -24.3 149 161 A A T 3 S+ 0 0 12 1,-0.1 -11,-1.3 -114,-0.1 -1,-0.3 0.224 96.8 52.7 -96.6 12.2 -20.4 -39.9 -26.8 150 162 A C S X> S+ 0 0 0 -3,-2.1 4,-2.3 -13,-0.2 3,-0.9 0.332 70.7 109.8-124.2 1.0 -18.8 -37.8 -29.5 151 163 A V H 3> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.875 79.9 50.5 -53.2 -43.8 -15.6 -36.6 -27.7 152 164 A T H 3> S+ 0 0 0 -16,-1.3 4,-2.2 1,-0.2 -1,-0.3 0.854 112.4 51.1 -63.2 -31.0 -13.2 -38.7 -29.8 153 165 A R H <> S+ 0 0 25 -17,-1.7 4,-2.3 -3,-0.9 -2,-0.2 0.967 108.9 47.1 -66.6 -57.4 -15.0 -37.2 -32.9 154 166 A R H X S+ 0 0 26 -4,-2.3 4,-1.2 1,-0.2 -1,-0.2 0.835 111.7 53.7 -52.9 -35.5 -14.7 -33.6 -31.8 155 167 A A H X S+ 0 0 0 -4,-2.1 4,-1.9 -5,-0.3 5,-0.3 0.933 105.9 51.3 -72.2 -44.1 -11.0 -34.4 -31.0 156 168 A L H >X S+ 0 0 11 -4,-2.2 4,-3.0 1,-0.2 3,-0.7 0.971 106.6 54.7 -51.2 -58.4 -10.4 -35.7 -34.5 157 169 A D H 3< S+ 0 0 106 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.804 115.4 40.5 -41.7 -39.2 -11.9 -32.6 -36.1 158 170 A L H 3< S+ 0 0 82 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.784 128.5 24.9 -84.4 -29.4 -9.5 -30.5 -34.2 159 171 A L H << S- 0 0 25 -4,-1.9 -3,-0.2 -3,-0.7 -2,-0.2 0.752 90.9-139.9-112.4 -30.4 -6.3 -32.5 -34.4 160 172 A G < - 0 0 34 -4,-3.0 3,-0.2 -5,-0.3 4,-0.2 -0.344 42.2 -37.3 88.3-175.8 -6.3 -34.7 -37.5 161 173 A E S S+ 0 0 127 1,-0.2 24,-0.1 2,-0.1 23,-0.1 -0.368 117.1 35.3 -81.3 162.7 -5.2 -38.3 -38.0 162 174 A G S S+ 0 0 35 22,-0.9 -1,-0.2 2,-0.2 23,-0.1 0.929 100.8 83.6 57.2 50.4 -2.1 -39.8 -36.4 163 175 A R S S+ 0 0 33 21,-0.4 -35,-2.0 -3,-0.2 2,-0.4 0.415 73.3 68.2-147.7 -25.5 -2.6 -37.8 -33.2 164 176 A I E +e 128 0A 4 20,-0.4 22,-2.2 -4,-0.2 2,-0.4 -0.911 47.0 178.1-120.7 134.7 -5.1 -39.6 -31.0 165 177 A T E -ef 129 186A 21 -37,-2.2 -35,-3.3 -2,-0.4 2,-0.4 -0.993 4.8-171.4-129.5 133.2 -5.0 -42.9 -29.2 166 178 A S E -ef 130 187A 0 20,-2.4 22,-3.5 -2,-0.4 2,-0.4 -0.985 6.3-165.2-129.6 132.8 -7.7 -44.5 -27.0 167 179 A I E +ef 131 188A 2 -37,-2.6 -35,-2.5 -2,-0.4 22,-0.2 -0.895 62.5 38.1-121.5 134.0 -7.2 -47.6 -24.8 168 180 A G E S+ 0 0 0 20,-2.8 22,-0.3 -2,-0.4 21,-0.2 0.414 70.8 163.4 114.8 3.4 -9.7 -49.9 -23.1 169 181 A I E + f 0 189A 0 19,-1.7 21,-0.9 -3,-0.3 22,-0.4 -0.297 16.5 137.3 -74.4 132.7 -12.2 -49.9 -25.8 170 182 A R + 0 0 5 -37,-3.1 2,-0.4 1,-0.2 183,-0.2 0.255 58.7 70.2-152.8 6.6 -14.9 -52.6 -25.8 171 183 A S B +i 134 0C 6 -38,-1.7 -36,-1.4 181,-0.1 2,-0.3 -0.972 56.4 159.4-134.0 119.0 -18.1 -50.8 -26.7 172 184 A V - 0 0 1 178,-0.5 180,-0.2 -2,-0.4 178,-0.2 -1.000 34.0-127.9-144.9 137.2 -18.6 -49.4 -30.2 173 185 A S > - 0 0 1 -2,-0.3 4,-2.0 -38,-0.3 5,-0.1 -0.442 19.5-129.5 -79.2 152.2 -21.6 -48.4 -32.2 174 186 A R H > S+ 0 0 73 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.956 112.5 56.1 -66.3 -52.1 -22.1 -49.9 -35.7 175 187 A E H 4 S+ 0 0 118 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.831 110.9 48.0 -39.6 -38.2 -22.6 -46.4 -37.2 176 188 A E H >4 S+ 0 0 2 2,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.925 110.2 47.4 -75.0 -48.6 -19.1 -45.7 -35.6 177 189 A F H 3< S+ 0 0 88 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.838 110.8 51.7 -63.1 -37.4 -17.3 -48.7 -36.9 178 190 A E T 3< S+ 0 0 128 -4,-2.5 -1,-0.2 -5,-0.1 -2,-0.2 0.619 84.2 108.8 -79.8 -15.3 -18.5 -48.3 -40.5 179 191 A D S X S- 0 0 35 -3,-0.6 3,-1.0 -4,-0.5 4,-0.3 -0.405 70.1-137.9 -59.4 134.0 -17.5 -44.7 -40.7 180 192 A P G > S+ 0 0 111 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.934 101.5 57.0 -60.1 -46.2 -14.4 -44.2 -43.0 181 193 A D G > S+ 0 0 55 1,-0.3 3,-1.9 2,-0.1 4,-0.1 0.565 82.7 89.3 -63.9 -9.2 -12.7 -41.7 -40.6 182 194 A F G X S+ 0 0 18 -3,-1.0 3,-1.3 1,-0.3 -1,-0.3 0.838 80.0 58.2 -58.4 -34.8 -12.8 -44.3 -37.8 183 195 A R G < S+ 0 0 222 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.1 0.563 86.5 80.0 -75.5 -4.8 -9.5 -45.7 -38.9 184 196 A K G < S+ 0 0 82 -3,-1.9 -22,-0.9 -4,-0.1 -20,-0.4 0.487 88.8 62.5 -82.3 -2.8 -7.9 -42.3 -38.3 185 197 A V S < S- 0 0 8 -3,-1.3 2,-1.1 -4,-0.1 -20,-0.2 -0.956 87.5-122.2-121.3 145.8 -7.8 -43.0 -34.6 186 198 A S E -f 165 0A 58 -22,-2.2 -20,-2.4 -2,-0.4 2,-0.7 -0.754 31.1-169.7 -86.7 99.3 -5.8 -45.7 -32.9 187 199 A F E -f 166 0A 26 -2,-1.1 2,-0.6 -22,-0.2 -20,-0.2 -0.830 2.4-170.5 -94.6 117.2 -8.3 -47.7 -31.0 188 200 A I E -f 167 0A 8 -22,-3.5 -20,-2.8 -2,-0.7 -19,-1.7 -0.922 14.0-141.8-112.1 118.8 -6.8 -50.2 -28.6 189 201 A S E > -f 169 0A 11 -2,-0.6 4,-1.5 -21,-0.2 -19,-0.2 -0.282 19.8-121.6 -77.4 158.9 -9.2 -52.6 -26.9 190 202 A S H > S+ 0 0 4 -21,-0.9 4,-2.7 -22,-0.3 5,-0.2 0.913 115.3 59.1 -57.4 -42.5 -9.1 -53.9 -23.4 191 203 A F H > S+ 0 0 44 -22,-0.4 4,-1.4 1,-0.2 -1,-0.2 0.869 102.1 53.3 -55.9 -39.8 -8.8 -57.5 -24.9 192 204 A D H > S+ 0 0 62 2,-0.2 4,-3.4 1,-0.2 5,-0.4 0.910 110.2 46.9 -59.9 -46.0 -5.6 -56.4 -26.6 193 205 A V H X S+ 0 0 5 -4,-1.5 4,-2.1 1,-0.2 -2,-0.2 0.907 109.6 53.4 -62.0 -41.5 -4.2 -55.2 -23.3 194 206 A K H < S+ 0 0 173 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.806 118.8 36.9 -66.8 -25.3 -5.2 -58.4 -21.6 195 207 A K H < S+ 0 0 170 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.925 131.7 21.8 -90.2 -53.1 -3.4 -60.4 -24.3 196 208 A N H < S- 0 0 78 -4,-3.4 4,-0.3 1,-0.2 -3,-0.2 0.456 105.5-118.1 -99.9 -4.5 -0.3 -58.3 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6.2 -42.9 -26.0 207 219 A R H < S+ 0 0 181 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.922 117.1 42.6 -82.2 -49.4 8.1 -43.2 -29.3 208 220 A K H < S+ 0 0 144 -4,-2.2 2,-0.4 -5,-0.2 -2,-0.2 0.738 104.4 70.4 -71.7 -25.9 5.7 -41.3 -31.6 209 221 A S < - 0 0 9 -4,-1.8 3,-0.1 1,-0.2 -83,-0.1 -0.808 48.0-169.7-114.1 127.1 4.9 -38.3 -29.4 210 222 A R S S+ 0 0 192 -85,-0.5 2,-0.3 -2,-0.4 -1,-0.2 0.981 85.3 3.4 -68.6 -55.8 6.9 -35.4 -28.3 211 223 A R E S-d 126 0A 106 -86,-1.3 -84,-2.2 2,-0.0 2,-0.3 -0.865 73.3-155.5-128.1 161.8 4.3 -34.2 -25.8 212 224 A V E -dg 127 253A 1 40,-3.2 42,-3.1 -2,-0.3 43,-0.6 -0.923 16.8-147.1-136.6 160.7 0.9 -35.6 -24.6 213 225 A Y E -dg 128 255A 0 -86,-2.1 -84,-2.7 -2,-0.3 2,-0.6 -0.998 24.5-149.9-122.4 126.2 -2.5 -34.8 -23.0 214 226 A I E +dg 129 256A 0 41,-2.5 43,-1.7 -2,-0.4 2,-0.5 -0.848 16.2 178.8-105.2 120.0 -3.9 -37.5 -20.7 215 227 A S E -dg 130 257A 0 -86,-2.7 -84,-2.4 -2,-0.6 2,-0.8 -0.962 11.0-159.4-121.8 123.1 -7.6 -38.0 -20.4 216 228 A V E -dg 131 258A 0 41,-2.9 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