==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 16-MAR-04 1SP9 . COMPND 2 MOLECULE: 4-HYDROXYPHENYLPYRUVATE DIOXYGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ARABIDOPSIS THALIANA; . AUTHOR I.M.FRITZE,L.LINDEN,J.FREIGANG,G.AUERBACH,R.HUBER, . 736 10 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 33622.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 491 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 23.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 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 . 3 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 . 52 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 138 18.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 1.8 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 0 3 0 1 5 1 3 3 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 0 2 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 . 2 4 2 4 3 2 5 4 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 . 2 0 0 0 0 0 0 3 1 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 33 A V 0 0 152 0, 0.0 2,-0.2 0, 0.0 311,-0.0 0.000 360.0 360.0 360.0 132.1 22.6 31.3 17.9 2 34 A R - 0 0 120 2,-0.0 2,-0.5 0, 0.0 197,-0.1 -0.589 360.0 -87.4-124.5-174.6 23.0 29.8 21.4 3 35 A K - 0 0 171 194,-0.2 194,-0.1 -2,-0.2 0, 0.0 -0.863 29.6-177.4-106.8 128.7 25.6 28.7 23.9 4 36 A N - 0 0 53 -2,-0.5 194,-0.1 1,-0.1 207,-0.0 -0.895 6.9-178.6-126.1 100.9 27.2 25.2 24.0 5 37 A P - 0 0 84 0, 0.0 -1,-0.1 0, 0.0 206,-0.1 0.412 29.8-143.2 -77.2 1.9 29.7 24.6 26.9 6 38 A K + 0 0 131 205,-0.2 189,-0.1 1,-0.2 205,-0.1 0.865 41.7 156.0 29.5 74.1 30.4 21.0 25.7 7 39 A S + 0 0 54 187,-0.4 -1,-0.2 203,-0.0 203,-0.0 -0.207 4.3 153.0-121.3 41.2 30.7 19.8 29.3 8 40 A D - 0 0 28 1,-0.1 186,-0.2 2,-0.0 187,-0.1 -0.283 39.8-145.8 -65.2 155.9 29.9 16.1 29.1 9 41 A K S S+ 0 0 94 184,-2.2 2,-0.3 183,-0.1 -1,-0.1 0.626 83.1 17.7 -97.8 -16.9 31.5 13.9 31.8 10 42 A F S S- 0 0 21 183,-0.4 2,-0.6 104,-0.0 -1,-0.1 -0.883 98.2 -80.7-141.9 171.5 31.8 11.0 29.5 11 43 A K - 0 0 100 -2,-0.3 95,-1.1 -3,-0.1 2,-0.6 -0.690 39.1-171.2 -81.9 122.3 31.8 10.4 25.7 12 44 A V + 0 0 4 -2,-0.6 200,-0.3 93,-0.2 93,-0.2 -0.775 6.5 177.5-116.9 85.8 28.2 10.2 24.4 13 45 A K - 0 0 55 -2,-0.6 2,-0.3 91,-0.3 -1,-0.2 0.951 53.8 -50.4 -50.2 -70.3 28.4 9.0 20.8 14 46 A R - 0 0 121 90,-0.4 90,-3.0 201,-0.0 -1,-0.2 -0.974 64.7 -65.1-170.7 158.2 24.7 8.8 19.9 15 47 A F E -A 103 0A 21 199,-0.7 88,-0.3 -2,-0.3 157,-0.1 -0.186 45.9-177.3 -47.5 137.4 21.2 7.4 20.8 16 48 A H E - 0 0 10 86,-2.1 48,-0.4 1,-0.3 2,-0.3 0.814 46.2 -27.9-104.0 -79.7 21.2 3.6 20.7 17 49 A H E - 0 0 6 85,-0.4 85,-2.5 46,-0.1 2,-0.4 -0.955 42.1-133.6-144.1 162.3 17.8 2.0 21.4 18 50 A I E -Ab 101 65A 4 46,-1.9 48,-2.7 -2,-0.3 2,-0.5 -0.957 20.9-152.4-115.6 132.5 14.6 2.4 23.2 19 51 A E E -Ab 100 66A 1 81,-2.5 80,-3.3 -2,-0.4 81,-2.0 -0.935 4.5-160.4-114.5 122.3 13.2 -0.5 25.3 20 52 A F E -Ab 98 67A 0 46,-2.9 48,-2.2 -2,-0.5 2,-0.7 -0.762 9.0-148.2 -95.7 140.9 9.4 -0.9 25.9 21 53 A W E + b 0 68A 2 76,-2.0 76,-0.4 -2,-0.4 48,-0.2 -0.938 32.8 168.7-109.4 106.5 8.2 -3.0 28.8 22 54 A C - 0 0 1 46,-1.7 69,-0.2 -2,-0.7 3,-0.2 -0.154 48.6-120.5-103.2-161.8 4.9 -4.5 27.6 23 55 A G S S+ 0 0 44 1,-0.2 2,-0.3 46,-0.1 46,-0.1 0.523 111.2 21.1-111.4 -23.9 2.5 -7.2 28.8 24 56 A D > - 0 0 73 1,-0.1 4,-1.4 44,-0.1 5,-0.3 -0.773 64.7-170.2-149.2 95.8 3.0 -9.0 25.5 25 57 A A H > S+ 0 0 1 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 0.830 83.6 63.3 -56.7 -32.7 6.1 -8.2 23.6 26 58 A T H > S+ 0 0 57 2,-0.2 4,-1.2 1,-0.1 -1,-0.2 0.956 104.9 37.6 -61.5 -58.2 4.8 -10.1 20.6 27 59 A N H >> S+ 0 0 109 2,-0.2 4,-3.5 1,-0.2 3,-0.8 0.957 116.7 50.0 -62.2 -51.8 1.7 -8.1 19.7 28 60 A V H 3X S+ 0 0 25 -4,-1.4 4,-2.9 1,-0.3 5,-0.2 0.924 112.0 49.5 -52.0 -46.3 3.1 -4.7 20.3 29 61 A A H 3X S+ 0 0 7 -4,-1.9 4,-1.4 -5,-0.3 -1,-0.3 0.747 114.7 45.4 -64.4 -26.4 6.1 -5.5 18.2 30 62 A R H S+ 0 0 21 -4,-1.4 5,-1.4 1,-0.2 4,-0.5 0.817 111.6 41.8 -48.4 -35.7 6.3 -3.1 12.6 34 66 A W H <5S+ 0 0 94 -4,-1.5 3,-0.3 -3,-0.5 -1,-0.2 0.934 116.0 49.6 -77.0 -49.2 3.3 -2.5 10.4 35 67 A G H <5S+ 0 0 0 -4,-2.1 235,-0.3 233,-0.2 -2,-0.2 0.765 121.8 25.4 -63.2 -36.3 2.7 1.0 11.7 36 68 A L T <5S- 0 0 0 -4,-2.6 131,-0.5 233,-0.1 133,-0.4 0.399 105.5-110.7-111.8 2.3 6.1 2.7 11.4 37 69 A G T 5 + 0 0 0 -4,-0.5 130,-0.7 -5,-0.5 2,-0.3 0.998 61.9 153.5 65.1 70.1 7.7 0.6 8.7 38 70 A M < - 0 0 0 -5,-1.4 2,-0.3 128,-0.1 127,-0.3 -0.956 37.8-121.9-131.4 150.7 10.3 -1.3 10.7 39 71 A R E -C 59 0A 82 20,-2.7 20,-2.1 -2,-0.3 2,-1.1 -0.719 19.8-117.8-100.4 144.8 12.0 -4.7 10.3 40 72 A F E +C 58 0A 71 -2,-0.3 18,-0.2 18,-0.2 3,-0.1 -0.641 46.1 163.6 -74.4 101.2 12.1 -7.7 12.6 41 73 A S E - 0 0 22 16,-2.3 120,-3.8 -2,-1.1 2,-0.3 0.920 50.3 -9.7 -90.5 -50.4 15.8 -7.8 13.2 42 74 A A E -CD 57 160A 1 15,-1.4 15,-2.7 118,-0.3 2,-0.3 -0.959 50.8-164.9-150.5 167.7 16.4 -10.0 16.2 43 75 A K E -CD 56 159A 58 116,-1.4 116,-2.3 -2,-0.3 13,-0.2 -0.974 17.1-166.3-152.1 162.4 15.0 -11.9 19.2 44 76 A S + 0 0 4 11,-1.3 34,-0.2 -2,-0.3 9,-0.2 -0.575 46.4 128.6-150.9 75.2 15.7 -13.6 22.4 45 77 A D S >>>S- 0 0 19 9,-0.2 5,-2.0 -2,-0.1 3,-1.3 -0.230 79.9 -70.4-112.1-159.0 12.7 -15.6 23.4 46 78 A L T 345S+ 0 0 98 1,-0.3 3,-0.5 2,-0.2 8,-0.0 0.897 128.2 67.9 -66.4 -36.8 12.1 -19.2 24.4 47 79 A S T 345S+ 0 0 76 1,-0.3 -1,-0.3 2,-0.1 -4,-0.0 0.535 108.7 37.4 -62.0 -2.3 12.9 -20.1 20.8 48 80 A T T <45S- 0 0 53 -3,-1.3 -1,-0.3 2,-0.2 -2,-0.2 0.602 129.9 -85.6-119.3 -24.1 16.5 -19.0 21.5 49 81 A G T <5S+ 0 0 40 -4,-1.2 2,-0.2 -3,-0.5 -3,-0.2 0.134 84.0 130.9 136.1 -15.4 16.9 -20.1 25.1 50 82 A N < + 0 0 3 -5,-2.0 -1,-0.4 107,-0.2 -2,-0.2 -0.490 19.0 165.3 -69.6 132.3 15.5 -17.2 27.0 51 83 A M S S+ 0 0 109 -2,-0.2 -1,-0.1 25,-0.2 26,-0.1 0.230 72.2 58.0-128.0 4.8 13.0 -18.4 29.7 52 84 A V S S+ 0 0 28 1,-0.4 19,-2.9 24,-0.2 2,-0.3 0.831 114.9 1.4-101.3 -50.7 12.9 -15.1 31.6 53 85 A H E - E 0 70A 0 17,-0.2 2,-0.4 -9,-0.2 -1,-0.4 -0.961 55.3-130.5-143.8 159.1 11.7 -12.7 28.9 54 86 A A E - E 0 69A 6 15,-2.1 15,-1.9 -2,-0.3 2,-0.4 -0.880 32.3-178.8-102.8 134.3 10.7 -12.3 25.3 55 87 A S E - E 0 68A 0 -2,-0.4 -11,-1.3 13,-0.2 2,-0.5 -0.933 10.3-173.0-145.1 121.7 12.5 -9.6 23.5 56 88 A Y E -CE 43 67A 25 11,-2.7 11,-2.4 -2,-0.4 2,-0.6 -0.943 10.2-154.8-119.2 127.4 12.1 -8.3 19.9 57 89 A L E -CE 42 66A 1 -15,-2.7 -16,-2.3 -2,-0.5 -15,-1.4 -0.867 12.4-176.7 -99.3 122.1 14.3 -5.8 18.2 58 90 A L E -CE 40 65A 2 7,-3.2 7,-3.6 -2,-0.6 2,-0.3 -0.920 12.3-172.8-112.4 141.4 12.6 -3.9 15.3 59 91 A T E -CE 39 64A 17 -20,-2.1 -20,-2.7 -2,-0.4 5,-0.2 -0.824 25.2-177.0-132.3 173.1 14.8 -1.5 13.4 60 92 A S E > S- E 0 63A 1 3,-1.9 3,-1.9 1,-0.6 2,-0.1 -0.609 74.3 -44.2-169.0 98.9 14.6 1.1 10.7 61 93 A G T 3 S- 0 0 35 1,-0.3 -1,-0.6 -2,-0.2 110,-0.2 -0.492 125.5 -23.6 67.0-140.5 17.9 2.7 9.7 62 94 A D T 3 S+ 0 0 118 108,-1.9 2,-0.3 -3,-0.1 -1,-0.3 0.592 115.7 107.9 -78.9 -8.1 19.8 3.5 12.9 63 95 A L E < - E 0 60A 4 -3,-1.9 -3,-1.9 107,-1.0 2,-0.4 -0.522 50.4-173.0 -73.3 129.7 16.5 3.5 14.9 64 96 A R E - E 0 59A 69 -48,-0.4 -46,-1.9 -2,-0.3 2,-0.5 -0.984 10.4-169.1-131.1 125.8 16.1 0.5 17.1 65 97 A F E -bE 18 58A 0 -7,-3.6 -7,-3.2 -2,-0.4 2,-0.5 -0.947 5.4-164.3-114.4 129.8 13.0 -0.5 19.1 66 98 A L E -bE 19 57A 0 -48,-2.7 -46,-2.9 -2,-0.5 2,-0.5 -0.960 0.2-165.2-116.3 127.2 13.2 -3.3 21.6 67 99 A F E +bE 20 56A 0 -11,-2.4 -11,-2.7 -2,-0.5 2,-0.4 -0.960 12.6 177.1-115.8 119.5 10.1 -4.9 23.0 68 100 A T E +bE 21 55A 0 -48,-2.2 -46,-1.7 -2,-0.5 -13,-0.2 -0.980 7.1 173.6-127.8 133.2 10.4 -7.1 26.1 69 101 A A E - E 0 54A 7 -15,-1.9 -15,-2.1 -2,-0.4 2,-0.3 -0.901 32.0-109.4-129.8 158.4 7.8 -8.9 28.2 70 102 A P E - E 0 53A 20 0, 0.0 -17,-0.2 0, 0.0 2,-0.1 -0.667 21.5-144.9 -94.0 148.0 8.2 -11.3 31.2 71 103 A Y - 0 0 52 -19,-2.9 -20,-0.1 -2,-0.3 -19,-0.0 -0.327 48.9 -65.6 -92.4-179.6 7.5 -15.0 31.1 72 104 A S - 0 0 70 1,-0.1 -1,-0.2 -2,-0.1 12,-0.0 -0.520 50.2-115.2 -69.8 138.8 6.1 -16.9 34.1 73 105 A P 0 0 96 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.778 360.0 360.0 -41.3 -34.1 8.5 -16.8 37.0 74 106 A S 0 0 135 -22,-0.0 -3,-0.1 0, 0.0 -23,-0.0 0.899 360.0 360.0 -87.7 360.0 8.8 -20.6 36.6 75 ! 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 76 117 A T 0 0 125 0, 0.0 2,-0.5 0, 0.0 -24,-0.2 0.000 360.0 360.0 360.0 2.0 19.6 -17.6 31.2 77 118 A A - 0 0 32 -27,-0.2 5,-0.1 1,-0.1 -32,-0.1 -0.832 360.0-141.1-103.0 132.2 18.2 -14.2 30.2 78 119 A S S S+ 0 0 16 -2,-0.5 -1,-0.1 -25,-0.2 80,-0.1 0.921 92.8 55.6 -52.6 -53.3 19.9 -12.0 27.5 79 120 A I S > S- 0 0 2 1,-0.2 3,-2.0 78,-0.1 -1,-0.2 -0.710 71.5-164.4 -89.5 98.1 19.3 -8.7 29.2 80 121 A P T 3 S+ 0 0 55 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.749 83.2 60.5 -51.0 -33.0 20.9 -9.0 32.7 81 122 A S T 3 S+ 0 0 19 43,-0.1 2,-0.2 46,-0.1 -2,-0.0 0.611 84.0 105.5 -75.0 -9.8 19.2 -5.9 34.2 82 123 A F < + 0 0 16 -3,-2.0 2,-0.3 -5,-0.1 -5,-0.1 -0.458 43.3 172.0 -73.2 138.6 15.8 -7.5 33.6 83 124 A D >> - 0 0 72 1,-0.2 4,-2.1 -2,-0.2 3,-0.6 -0.969 33.0-126.2-150.9 132.4 13.8 -8.8 36.5 84 125 A H H >> S+ 0 0 42 -2,-0.3 4,-3.4 1,-0.2 3,-0.7 0.911 101.7 47.1 -36.9 -82.3 10.2 -10.1 36.7 85 126 A G H 3> S+ 0 0 43 1,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.751 114.7 49.7 -38.0 -37.2 8.5 -8.2 39.5 86 127 A S H <> S+ 0 0 48 -3,-0.6 4,-2.7 2,-0.2 -1,-0.3 0.916 113.2 43.8 -72.6 -45.0 9.9 -4.9 38.2 87 128 A C H S+ 0 0 10 -4,-2.7 4,-3.0 1,-0.2 5,-0.7 0.927 116.7 36.6 -48.3 -51.1 6.1 -1.2 35.8 91 132 A F H X5S+ 0 0 65 -4,-2.3 4,-0.6 -3,-0.3 -1,-0.2 0.830 115.7 53.6 -71.7 -37.0 3.5 -2.4 33.3 92 133 A S H <5S+ 0 0 98 -4,-3.1 -2,-0.2 -5,-0.3 -1,-0.2 0.888 122.5 30.0 -65.9 -37.7 0.9 -3.1 35.9 93 134 A S H <5S+ 0 0 42 -4,-3.5 -2,-0.2 -5,-0.2 -3,-0.2 0.819 134.9 23.8 -92.6 -36.3 1.2 0.5 37.2 94 135 A H H <5S- 0 0 16 -4,-3.0 -3,-0.2 -5,-0.4 2,-0.2 0.748 91.2-148.1-102.1 -29.1 2.2 2.5 34.2 95 136 A G << - 0 0 6 -5,-0.7 -1,-0.2 -4,-0.6 -74,-0.2 -0.510 57.4 -1.0 92.0-165.6 1.0 0.5 31.2 96 137 A L S S+ 0 0 27 -2,-0.2 233,-0.4 -76,-0.1 2,-0.3 -0.346 92.2 114.3 -58.4 136.8 2.6 0.3 27.8 97 138 A G - 0 0 7 -76,-0.4 -76,-2.0 231,-0.1 2,-0.3 -0.940 66.0 -64.5 170.1 167.4 5.7 2.6 27.8 98 139 A V E +A 20 0A 4 146,-0.3 146,-0.4 -2,-0.3 -78,-0.3 -0.562 34.1 171.0 -77.1 130.0 9.4 3.1 27.5 99 140 A R E + 0 0 31 -80,-3.3 46,-3.3 -2,-0.3 2,-0.4 0.710 68.9 41.3-103.7 -35.7 11.4 1.6 30.4 100 141 A A E -Af 19 145A 0 -81,-2.0 -81,-2.5 44,-0.2 2,-0.6 -0.955 47.9-177.5-127.7 132.6 14.9 2.3 28.8 101 142 A V E -Af 18 146A 0 44,-2.5 46,-1.0 -2,-0.4 2,-0.3 -0.909 27.7-173.6-119.1 94.1 16.4 5.2 26.8 102 143 A A E - f 0 147A 1 -85,-2.5 -86,-2.1 -2,-0.6 -85,-0.4 -0.695 8.5-173.4 -96.0 147.9 19.9 3.8 26.0 103 144 A I E -Af 15 148A 3 44,-2.0 46,-2.0 -2,-0.3 -88,-0.3 -0.993 28.7-106.5-139.2 142.6 22.7 5.8 24.3 104 145 A E E + f 0 149A 51 -90,-3.0 -90,-0.4 -2,-0.3 -91,-0.3 -0.404 41.5 170.9 -69.7 144.7 26.1 4.7 23.0 105 146 A V - 0 0 2 44,-1.8 46,-0.4 -93,-0.2 3,-0.3 -0.931 42.8-115.2-146.8 164.1 29.2 5.7 25.0 106 147 A E S S+ 0 0 110 -95,-1.1 2,-0.3 -2,-0.3 -1,-0.1 0.903 105.9 14.8 -75.2 -37.5 32.9 4.9 24.9 107 148 A D > - 0 0 81 -96,-0.3 4,-4.2 1,-0.1 5,-0.3 -0.766 60.6-172.0-142.1 95.1 32.9 3.2 28.3 108 149 A A H > S+ 0 0 0 -2,-0.3 4,-2.4 -3,-0.3 5,-0.2 0.827 91.6 51.2 -52.2 -39.2 29.6 2.1 29.9 109 150 A E H > S+ 0 0 96 2,-0.2 4,-1.8 3,-0.2 -1,-0.2 0.947 117.0 40.8 -65.2 -45.1 31.4 1.2 33.2 110 151 A S H > S+ 0 0 42 2,-0.2 4,-3.1 1,-0.2 5,-0.4 0.958 113.3 52.1 -65.4 -53.0 33.1 4.5 33.3 111 152 A A H X S+ 0 0 1 -4,-4.2 4,-2.4 1,-0.3 -1,-0.2 0.922 116.4 41.6 -49.8 -46.3 30.0 6.5 32.1 112 153 A F H X S+ 0 0 22 -4,-2.4 4,-2.0 -5,-0.3 -1,-0.3 0.811 113.5 56.3 -70.2 -30.9 28.1 4.7 34.9 113 154 A S H X S+ 0 0 54 -4,-1.8 4,-1.6 -5,-0.2 3,-0.5 1.000 112.5 37.7 -62.6 -67.1 31.2 5.3 37.1 114 155 A I H X S+ 0 0 50 -4,-3.1 4,-0.7 1,-0.2 -2,-0.2 0.872 114.8 56.5 -52.4 -43.2 31.3 9.1 36.7 115 156 A S H ><>S+ 0 0 0 -4,-2.4 5,-2.5 -5,-0.4 3,-0.7 0.895 107.4 47.3 -58.1 -43.7 27.5 9.4 36.7 116 157 A V H ><5S+ 0 0 56 -4,-2.0 3,-1.0 -3,-0.5 -1,-0.2 0.814 107.2 56.1 -68.4 -32.2 27.1 7.7 40.1 117 158 A A H 3<5S+ 0 0 82 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.613 107.8 53.2 -74.2 -12.4 29.8 9.8 41.6 118 159 A N T <<5S- 0 0 66 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 -0.117 132.2 -80.6-115.8 36.5 27.8 12.8 40.5 119 160 A G T < 5S+ 0 0 47 -3,-1.0 -3,-0.2 1,-0.3 -2,-0.1 0.323 76.1 148.9 89.4 -10.2 24.4 12.0 42.0 120 161 A A < - 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0 0 27 -2,-0.2 -1,-0.2 -48,-0.0 -3,-0.0 0.239 68.9 -97.5-127.6 11.0 32.6 12.0 78.6 728 420 B G X + 0 0 3 -3,-0.5 3,-1.4 1,-0.1 4,-0.3 0.796 67.9 149.7 78.4 27.3 34.0 9.2 80.6 729 421 B K T >> S+ 0 0 100 1,-0.3 3,-0.6 2,-0.2 4,-0.5 0.682 70.4 63.1 -65.8 -16.6 36.7 8.3 78.1 730 422 B G H 3> S+ 0 0 26 1,-0.2 4,-2.9 2,-0.2 -1,-0.3 0.705 83.9 73.9 -81.8 -19.0 38.7 7.2 81.1 731 423 B N H <> S+ 0 0 8 -3,-1.4 4,-1.1 2,-0.2 -1,-0.2 0.646 84.8 68.1 -69.4 -12.6 36.2 4.4 82.0 732 424 B F H X4 S+ 0 0 117 -3,-0.6 3,-0.8 -4,-0.3 -1,-0.2 0.990 114.1 26.4 -68.2 -59.0 37.5 2.4 79.1 733 425 B S H 3< S+ 0 0 90 -4,-0.5 3,-0.4 1,-0.2 -2,-0.2 0.884 116.5 66.5 -68.3 -36.5 40.9 1.9 80.7 734 426 B E H >< S+ 0 0 31 -4,-2.9 2,-0.8 1,-0.3 3,-0.6 0.736 83.9 72.9 -57.0 -26.1 39.2 2.3 84.1 735 427 B L G X< + 0 0 70 -4,-1.1 3,-0.6 -3,-0.8 4,-0.3 -0.195 59.1 110.4 -84.2 43.2 37.3 -1.0 83.5 736 428 B F G 3 + 0 0 91 -2,-0.8 -1,-0.2 -3,-0.4 5,-0.1 0.333 51.1 95.1 -91.0 -0.3 40.5 -2.9 84.1 737 429 B K G X> S+ 0 0 1 -3,-0.6 4,-1.1 1,-0.2 3,-0.8 0.743 76.8 58.1 -61.5 -26.3 38.6 -3.8 87.2 738 430 B S H X> S+ 0 0 36 -3,-0.6 4,-3.2 1,-0.3 3,-0.9 0.971 104.7 46.2 -68.6 -55.7 37.6 -6.9 85.2 739 431 B I H 34 S+ 0 0 115 -4,-0.3 -1,-0.3 1,-0.3 -2,-0.2 0.013 118.7 46.9 -76.4 31.2 41.3 -8.0 84.6 740 432 B E H <> S+ 0 0 54 -3,-0.8 4,-0.8 -2,-0.4 -1,-0.3 0.321 109.8 49.7-140.3 -26.9 41.6 -7.2 88.3 741 433 B E H