==== 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 PLANT PROTEIN, TRANSFERASE 21-APR-05 1ZGJ . COMPND 2 MOLECULE: ISOFLAVANONE 4'-O-METHYLTRANSFERASE'; . SOURCE 2 ORGANISM_SCIENTIFIC: MEDICAGO TRUNCATULA; . AUTHOR C.-J.LIU,B.E.DEAVOURS,S.RICHARD,J.-L.FERRER,R.A.DIXON,J.P.NO . 355 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20219.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 74.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 25 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 24 6.8 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 53 14.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 131 36.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 0 3 2 1 2 0 1 0 2 1 0 0 0 1 0 0 0 0 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 1 1 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 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 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 11 A S 0 0 158 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-165.2 54.0 56.0 63.5 2 12 A E - 0 0 146 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.226 360.0-106.3-176.2 -4.1 50.6 54.3 62.8 3 13 A L S S+ 0 0 142 1,-0.1 3,-0.3 2,-0.0 0, 0.0 0.885 88.3 125.3 61.8 34.8 49.6 55.8 59.4 4 14 A Y + 0 0 168 1,-0.2 3,-0.5 2,-0.1 4,-0.2 0.174 58.7 80.0-100.8 5.8 47.1 57.7 61.6 5 15 A H S >> S+ 0 0 131 1,-0.2 3,-0.6 2,-0.1 4,-0.6 0.493 70.6 79.2 -86.6 -12.4 48.9 60.4 59.7 6 16 A A H 3> S+ 0 0 59 -3,-0.3 4,-2.1 1,-0.2 3,-0.2 0.700 74.8 76.0 -70.8 -20.9 46.6 59.5 56.9 7 17 A Q H 3> S+ 0 0 83 -3,-0.5 4,-2.8 1,-0.2 5,-0.2 0.904 87.1 58.0 -57.0 -44.8 43.9 61.6 58.6 8 18 A I H <> S+ 0 0 95 -3,-0.6 4,-1.8 1,-0.2 -1,-0.2 0.886 109.6 43.5 -55.1 -42.8 45.5 64.9 57.5 9 19 A H H X S+ 0 0 124 -4,-0.6 4,-1.4 -3,-0.2 -1,-0.2 0.904 112.6 53.1 -71.3 -40.3 45.2 63.9 53.8 10 20 A L H X S+ 0 0 99 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.931 111.9 45.0 -59.8 -48.1 41.7 62.6 54.2 11 21 A Y H X S+ 0 0 116 -4,-2.8 4,-2.5 1,-0.2 -1,-0.2 0.842 102.8 62.5 -68.2 -37.7 40.4 65.8 55.8 12 22 A K H < S+ 0 0 136 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.917 110.7 41.9 -54.6 -42.0 42.1 68.2 53.4 13 23 A H H >< S+ 0 0 95 -4,-1.4 3,-0.6 2,-0.2 4,-0.4 0.849 110.3 56.5 -74.9 -33.5 40.0 66.6 50.6 14 24 A V H 3< S+ 0 0 68 -4,-1.5 3,-0.4 1,-0.2 -2,-0.2 0.939 117.9 33.4 -60.2 -47.7 36.8 66.4 52.7 15 25 A Y T >< S+ 0 0 135 -4,-2.5 3,-1.2 1,-0.2 4,-0.5 0.259 86.1 103.3 -95.1 9.4 36.9 70.2 53.4 16 26 A N T X> S+ 0 0 78 -3,-0.6 3,-1.5 -4,-0.3 4,-0.8 0.860 70.5 69.1 -60.2 -35.0 38.4 71.3 50.2 17 27 A F H 3> S+ 0 0 116 -3,-0.4 4,-2.2 -4,-0.4 3,-0.5 0.787 85.1 70.6 -55.4 -29.3 34.9 72.5 49.0 18 28 A V H <> S+ 0 0 61 -3,-1.2 4,-2.1 1,-0.3 -1,-0.3 0.859 94.1 54.3 -58.2 -37.1 35.0 75.3 51.6 19 29 A S H <> S+ 0 0 40 -3,-1.5 4,-1.8 -4,-0.5 -1,-0.3 0.865 107.3 50.3 -66.9 -33.5 37.7 77.1 49.6 20 30 A S H X S+ 0 0 54 -4,-0.8 4,-2.7 -3,-0.5 -2,-0.2 0.941 110.4 48.7 -68.6 -45.5 35.4 77.0 46.5 21 31 A M H X S+ 0 0 54 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.873 109.6 54.3 -62.7 -34.4 32.5 78.4 48.5 22 32 A A H X S+ 0 0 2 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.900 108.9 46.2 -65.9 -42.2 34.7 81.1 49.9 23 33 A L H X S+ 0 0 35 -4,-1.8 4,-2.1 1,-0.2 5,-0.2 0.957 110.4 55.4 -63.5 -45.7 35.9 82.2 46.4 24 34 A K H X S+ 0 0 54 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.886 108.4 47.6 -50.7 -46.2 32.2 82.2 45.4 25 35 A S H X S+ 0 0 20 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.876 106.9 57.3 -64.2 -41.3 31.3 84.5 48.2 26 36 A A H X>S+ 0 0 2 -4,-2.1 5,-1.5 1,-0.2 4,-0.7 0.914 111.1 42.5 -57.7 -44.5 34.2 86.9 47.4 27 37 A M H ><5S+ 0 0 29 -4,-2.1 3,-0.7 1,-0.2 -2,-0.2 0.921 113.3 49.8 -72.4 -43.0 32.9 87.4 43.8 28 38 A E H 3<5S+ 0 0 101 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.817 109.8 53.0 -66.4 -27.1 29.2 87.7 44.6 29 39 A L H 3<5S- 0 0 70 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.719 106.1-132.1 -78.0 -19.4 30.1 90.3 47.3 30 40 A G T < + 0 0 1 -5,-1.5 4,-2.6 1,-0.2 5,-0.3 0.910 69.4 53.8 -51.1 -49.7 35.1 92.6 47.0 32 42 A A H > S+ 0 0 3 -6,-0.3 4,-3.0 1,-0.2 5,-0.2 0.932 110.6 46.9 -51.5 -50.5 37.5 92.9 44.0 33 43 A D H > S+ 0 0 38 68,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.880 110.0 53.9 -60.5 -39.9 35.4 95.7 42.6 34 44 A A H X S+ 0 0 11 -4,-2.3 4,-1.5 2,-0.2 -2,-0.2 0.962 114.5 39.0 -61.0 -52.1 35.2 97.5 45.9 35 45 A I H X>S+ 0 0 8 -4,-2.6 4,-1.4 2,-0.2 5,-0.6 0.922 115.8 51.5 -64.8 -46.7 39.0 97.5 46.4 36 46 A H H ><5S+ 0 0 78 -4,-3.0 3,-0.7 -5,-0.3 -1,-0.2 0.940 111.3 47.7 -56.1 -48.0 39.8 98.3 42.8 37 47 A N H 3<5S+ 0 0 127 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.822 105.9 59.8 -63.3 -30.0 37.4 101.2 42.8 38 48 A H H 3<5S- 0 0 70 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.811 98.7-143.9 -67.6 -31.6 38.9 102.4 46.0 39 49 A G T <<5 + 0 0 65 -4,-1.4 -3,-0.1 -3,-0.7 -2,-0.1 0.452 67.1 43.2 83.5 -0.8 42.3 102.7 44.3 40 50 A K S -A 91 0A 4 -2,-0.4 4,-3.3 48,-0.3 5,-0.3 -0.453 27.0-112.7 -84.1 155.6 40.6 98.5 55.6 44 54 A L H > S+ 0 0 33 46,-0.7 4,-3.0 2,-0.2 5,-0.2 0.928 120.1 47.1 -50.6 -48.9 38.1 96.0 57.0 45 55 A S H > S+ 0 0 42 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.974 112.6 47.2 -56.9 -59.3 35.9 98.9 58.1 46 56 A E H > S+ 0 0 80 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 115.2 47.3 -51.2 -43.6 36.1 100.7 54.8 47 57 A L H X S+ 0 0 0 -4,-3.3 4,-2.6 2,-0.2 -1,-0.2 0.917 110.5 50.5 -66.8 -43.5 35.4 97.6 52.9 48 58 A A H <>S+ 0 0 8 -4,-3.0 5,-2.5 -5,-0.3 4,-0.5 0.879 112.4 49.2 -60.9 -36.5 32.4 96.7 55.2 49 59 A S H <5S+ 0 0 90 -4,-2.7 3,-0.4 -5,-0.2 -2,-0.2 0.891 109.1 51.3 -69.9 -40.2 31.2 100.2 54.6 50 60 A S H <5S+ 0 0 58 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.911 112.7 44.9 -64.3 -41.5 31.6 99.9 50.8 51 61 A L T <5S- 0 0 35 -4,-2.6 -1,-0.3 -5,-0.1 -2,-0.2 0.596 107.9-132.3 -77.9 -9.2 29.6 96.6 50.8 52 62 A K T 5 - 0 0 188 -4,-0.5 -3,-0.2 -3,-0.4 2,-0.1 0.915 40.0-179.9 58.7 44.9 27.1 98.3 53.1 53 63 A L < - 0 0 49 -5,-2.5 -1,-0.2 -6,-0.1 5,-0.1 -0.428 33.2-107.8 -77.0 151.5 27.1 95.4 55.5 54 64 A H >> - 0 0 121 1,-0.1 3,-2.2 -2,-0.1 4,-0.6 -0.480 38.0-107.7 -72.2 148.6 25.0 95.3 58.6 55 65 A P G >4 S+ 0 0 106 0, 0.0 3,-0.9 0, 0.0 4,-0.4 0.818 119.1 57.3 -48.3 -34.5 27.3 95.6 61.7 56 66 A S G 34 S+ 0 0 62 1,-0.2 4,-0.3 2,-0.1 3,-0.2 0.668 101.4 56.2 -73.6 -16.2 26.7 91.9 62.5 57 67 A K G <> S+ 0 0 108 -3,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.529 83.3 86.4 -93.4 -5.9 28.1 90.8 59.2 58 68 A V H S+ 0 0 93 -4,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.784 109.2 53.9 -72.4 -26.5 33.1 89.7 61.4 60 70 A I H > S+ 0 0 75 -4,-0.3 4,-2.6 2,-0.2 5,-0.3 0.934 107.4 51.5 -69.8 -42.1 31.9 87.2 58.9 61 71 A L H X S+ 0 0 6 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.909 109.7 51.0 -57.5 -40.4 33.5 89.4 56.2 62 72 A H H X S+ 0 0 81 -4,-1.9 4,-2.3 2,-0.2 -1,-0.2 0.945 108.4 50.7 -61.3 -50.8 36.6 89.3 58.3 63 73 A R H X S+ 0 0 152 -4,-2.5 4,-1.9 1,-0.2 5,-0.2 0.922 111.0 46.9 -53.4 -51.8 36.6 85.5 58.5 64 74 A F H X S+ 0 0 70 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.893 110.7 54.6 -60.9 -37.3 36.1 85.0 54.8 65 75 A L H X S+ 0 0 0 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.917 105.2 51.8 -61.8 -45.8 38.9 87.5 54.2 66 76 A R H X S+ 0 0 145 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.943 113.2 44.3 -57.7 -50.3 41.4 85.6 56.4 67 77 A L H X S+ 0 0 52 -4,-1.9 4,-1.3 1,-0.2 -1,-0.2 0.918 115.5 48.4 -61.8 -42.8 40.8 82.4 54.6 68 78 A L H <>S+ 0 0 2 -4,-2.6 5,-2.8 2,-0.2 6,-0.5 0.810 110.4 51.0 -69.0 -30.1 40.9 84.1 51.2 69 79 A T H ><5S+ 0 0 22 -4,-2.6 3,-2.1 4,-0.2 5,-0.3 0.938 109.4 49.8 -71.0 -45.7 44.2 85.9 52.1 70 80 A H H 3<5S+ 0 0 157 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.801 109.1 54.4 -61.9 -26.6 45.8 82.7 53.1 71 81 A N T 3<5S- 0 0 59 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.351 122.5-106.8 -89.1 4.9 44.6 81.2 49.8 72 82 A G T < 5S+ 0 0 35 -3,-2.1 26,-0.3 2,-0.2 -3,-0.2 0.612 89.4 113.3 85.5 12.3 46.3 84.0 47.9 73 83 A F S - 0 0 21 -22,-0.5 4,-2.0 -2,-0.1 3,-0.4 -0.809 39.0 -89.3-125.9 168.5 46.5 90.0 43.9 96 106 A P H >> S+ 0 0 98 0, 0.0 4,-0.7 0, 0.0 3,-0.6 0.929 126.0 53.8 -47.2 -50.8 46.7 88.7 40.3 97 107 A P H >4 S+ 0 0 55 0, 0.0 3,-0.9 0, 0.0 -24,-0.1 0.897 112.3 42.6 -52.2 -45.0 44.1 86.0 41.0 98 108 A S H >4 S+ 0 0 0 -3,-0.4 3,-2.5 -26,-0.3 4,-0.2 0.736 98.1 71.9 -77.4 -19.8 41.5 88.4 42.3 99 109 A K H X< S+ 0 0 111 -4,-2.0 3,-1.2 -3,-0.6 -1,-0.2 0.749 87.7 68.4 -64.9 -16.4 42.1 91.0 39.7 100 110 A L T << S+ 0 0 73 -3,-0.9 9,-2.8 -4,-0.7 10,-0.5 0.578 93.3 59.1 -74.8 -9.0 40.4 88.4 37.5 101 111 A L T < S+ 0 0 13 -3,-2.5 2,-0.6 7,-0.2 -68,-0.3 0.380 73.9 115.1-100.6 0.9 37.3 89.2 39.5 102 112 A I X - 0 0 11 -3,-1.2 3,-1.0 -4,-0.2 6,-0.1 -0.626 64.5-132.8 -75.4 119.1 37.2 93.0 38.6 103 113 A S T 3 S+ 0 0 57 -2,-0.6 4,-0.1 1,-0.2 -1,-0.1 -0.138 81.8 34.7 -67.7 166.0 34.0 93.6 36.6 104 114 A G T 3 S+ 0 0 79 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.264 92.3 111.9 75.4 -14.8 33.9 95.5 33.3 105 115 A K S X S- 0 0 90 -3,-1.0 3,-1.4 1,-0.1 -1,-0.2 -0.602 76.6-123.3 -93.0 155.1 37.3 94.3 32.3 106 116 A P T 3 S+ 0 0 91 0, 0.0 72,-0.1 0, 0.0 -1,-0.1 0.703 112.1 55.8 -64.9 -21.1 38.0 91.9 29.4 107 117 A T T 3 S+ 0 0 51 -5,-0.1 -4,-0.1 -8,-0.1 2,-0.1 0.455 75.8 130.1 -92.0 -2.7 39.8 89.6 31.8 108 118 A C < + 0 0 17 -3,-1.4 -7,-0.2 1,-0.2 4,-0.1 -0.298 27.3 174.5 -57.8 127.3 36.8 89.2 34.2 109 119 A L > + 0 0 51 -9,-2.8 4,-2.2 1,-0.1 5,-0.2 0.210 45.2 113.9-116.3 11.9 36.0 85.6 34.9 110 120 A S H > S+ 0 0 22 -10,-0.5 4,-3.0 1,-0.2 5,-0.1 0.857 75.3 52.5 -49.7 -44.0 33.3 86.3 37.5 111 121 A S H > S+ 0 0 26 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.932 108.8 47.6 -61.7 -49.8 30.6 84.8 35.3 112 122 A I H > S+ 0 0 52 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.880 114.0 50.0 -60.9 -35.2 32.4 81.5 34.8 113 123 A V H X S+ 0 0 26 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.956 111.1 48.3 -67.2 -46.2 33.0 81.5 38.5 114 124 A K H < S+ 0 0 105 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.897 116.3 42.6 -60.3 -43.1 29.3 82.2 39.2 115 125 A G H >< S+ 0 0 12 -4,-2.9 3,-1.7 1,-0.2 -1,-0.2 0.923 110.9 53.2 -70.8 -45.3 28.1 79.5 36.9 116 126 A A H 3< S+ 0 0 58 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.794 118.1 38.8 -60.6 -28.8 30.6 76.8 37.8 117 127 A L T 3< S+ 0 0 32 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.012 89.6 126.0-112.0 27.3 29.6 77.3 41.4 118 128 A H S X> S- 0 0 42 -3,-1.7 3,-2.5 1,-0.1 4,-1.5 -0.482 73.8-112.2 -83.2 152.8 25.8 77.8 40.9 119 129 A P H 3> S+ 0 0 67 0, 0.0 4,-2.3 0, 0.0 5,-0.4 0.858 118.0 62.3 -54.2 -33.3 23.2 75.6 42.7 120 130 A S H 34 S+ 0 0 13 1,-0.2 4,-0.1 2,-0.2 -5,-0.1 0.656 109.4 42.0 -67.6 -12.6 22.3 74.1 39.4 121 131 A S H <4 S+ 0 0 17 -3,-2.5 -1,-0.2 -6,-0.1 4,-0.1 0.677 124.9 32.6-102.2 -25.4 25.8 72.8 39.2 122 132 A L H >< S+ 0 0 58 -4,-1.5 3,-2.1 2,-0.1 4,-0.2 0.868 100.7 67.0-101.3 -45.2 26.2 71.7 42.8 123 133 A D G >< S+ 0 0 114 -4,-2.3 3,-1.7 1,-0.3 4,-0.1 0.781 88.0 73.3 -51.8 -29.8 22.9 70.5 44.3 124 134 A M G > S+ 0 0 8 -5,-0.4 3,-2.1 1,-0.3 -1,-0.3 0.702 75.3 79.9 -60.6 -20.2 22.9 67.4 42.0 125 135 A W G X S+ 0 0 105 -3,-2.1 3,-1.8 1,-0.3 -1,-0.3 0.692 73.9 75.8 -64.2 -15.7 25.6 65.7 44.0 126 136 A S G < S+ 0 0 108 -3,-1.7 -1,-0.3 1,-0.3 3,-0.2 0.655 95.0 52.7 -68.5 -12.8 23.2 64.6 46.6 127 137 A S G <> S+ 0 0 22 -3,-2.1 4,-2.5 1,-0.2 -1,-0.3 0.277 74.5 109.8-103.8 10.9 22.1 62.0 44.0 128 138 A S H <> S+ 0 0 36 -3,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.863 79.7 46.8 -55.1 -38.4 25.5 60.6 43.4 129 139 A K H > S+ 0 0 160 -3,-0.2 4,-1.9 -4,-0.2 -1,-0.2 0.943 112.6 47.0 -70.9 -47.4 24.8 57.3 45.1 130 140 A K H > S+ 0 0 131 1,-0.2 4,-0.7 -4,-0.2 -2,-0.2 0.879 110.5 57.1 -58.7 -36.5 21.5 56.7 43.4 131 141 A W H < S+ 0 0 37 -4,-2.5 3,-0.4 1,-0.2 -1,-0.2 0.869 106.6 46.7 -63.3 -41.5 23.2 57.6 40.1 132 142 A F H < S+ 0 0 152 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.879 117.2 42.8 -69.2 -38.7 25.9 54.9 40.5 133 143 A N H < S+ 0 0 126 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.326 93.2 95.0 -93.9 6.3 23.4 52.2 41.4 134 144 A E S < S- 0 0 44 -4,-0.7 -3,-0.0 -3,-0.4 9,-0.0 -0.432 70.1-133.0 -91.0 170.5 20.6 52.8 38.9 135 145 A D S S+ 0 0 173 -2,-0.1 2,-0.4 2,-0.1 -1,-0.1 0.483 74.5 99.8-102.1 -1.4 20.2 51.0 35.6 136 146 A K - 0 0 138 -5,-0.0 2,-0.8 1,-0.0 -2,-0.1 -0.703 69.4-135.7 -91.4 131.9 19.5 54.1 33.5 137 147 A E + 0 0 183 -2,-0.4 2,-0.3 6,-0.0 -2,-0.1 -0.752 55.9 117.2 -84.8 113.2 22.3 55.7 31.5 138 148 A Q - 0 0 21 -2,-0.8 2,-0.1 -7,-0.1 178,-0.1 -0.960 65.0 -79.6-163.2 174.3 22.1 59.4 32.1 139 149 A T > - 0 0 9 -2,-0.3 4,-2.4 176,-0.1 5,-0.2 -0.398 42.3-111.6 -80.4 164.1 24.0 62.4 33.5 140 150 A L H > S+ 0 0 0 174,-1.0 4,-1.5 173,-0.2 175,-0.2 0.821 120.2 56.1 -64.8 -28.2 24.0 63.0 37.3 141 151 A F H > S+ 0 0 4 173,-1.4 4,-2.5 2,-0.2 6,-0.5 0.882 107.7 45.8 -71.0 -39.8 21.9 66.1 36.5 142 152 A E H > S+ 0 0 57 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.916 111.8 52.0 -69.0 -42.1 19.2 64.1 34.8 143 153 A C H < S+ 0 0 11 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.849 117.3 40.5 -61.7 -33.0 19.2 61.5 37.6 144 154 A A H < S+ 0 0 36 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.814 129.3 22.9 -87.4 -34.2 18.8 64.3 40.1 145 155 A T H < S- 0 0 60 -4,-2.5 -3,-0.2 2,-0.3 -2,-0.2 0.703 94.5-120.1-107.7 -24.8 16.3 66.6 38.4 146 156 A G S < S+ 0 0 69 -4,-2.2 2,-0.3 -5,-0.4 -4,-0.2 0.547 86.7 69.0 94.8 7.5 14.4 64.5 35.9 147 157 A E S S- 0 0 52 -6,-0.5 -2,-0.3 -5,-0.1 -1,-0.2 -0.986 87.0 -95.8-155.1 152.5 15.5 66.6 33.0 148 158 A S > - 0 0 21 -2,-0.3 4,-2.4 1,-0.1 5,-0.2 -0.242 37.4-111.8 -66.9 157.9 18.7 67.3 31.0 149 159 A F H > S+ 0 0 10 166,-0.4 4,-2.1 1,-0.2 5,-0.2 0.915 118.4 54.0 -56.7 -43.9 20.7 70.4 31.8 150 160 A W H > S+ 0 0 140 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.931 109.6 46.2 -57.1 -48.9 19.8 71.9 28.5 151 161 A D H > S+ 0 0 94 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.906 108.5 57.0 -61.2 -43.3 16.1 71.5 29.1 152 162 A F H >< S+ 0 0 31 -4,-2.4 3,-1.3 1,-0.2 6,-0.2 0.927 107.1 47.7 -53.0 -51.3 16.3 72.9 32.6 153 163 A L H 3< S+ 0 0 3 -4,-2.1 9,-0.4 1,-0.3 -1,-0.2 0.866 106.6 57.4 -60.3 -39.1 17.8 76.2 31.4 154 164 A N H 3< S+ 0 0 109 -4,-1.6 -1,-0.3 -5,-0.2 2,-0.2 0.511 80.5 112.0 -72.8 -5.6 15.2 76.6 28.7 155 165 A K S X< S- 0 0 78 -3,-1.3 3,-2.8 -4,-0.5 7,-0.2 -0.508 75.5-129.6 -71.4 135.1 12.4 76.5 31.2 156 166 A D G > S+ 0 0 148 1,-0.3 3,-1.5 -2,-0.2 -1,-0.2 0.868 111.0 63.0 -48.8 -38.1 10.6 79.8 31.6 157 167 A S G 3 S+ 0 0 93 1,-0.3 -1,-0.3 2,-0.1 3,-0.2 0.686 103.0 48.4 -61.3 -20.9 11.1 79.3 35.3 158 168 A E G <> + 0 0 35 -3,-2.8 4,-2.6 -6,-0.2 5,-0.3 -0.061 68.3 133.2-113.6 32.8 14.9 79.4 34.8 159 169 A S H <> S+ 0 0 85 -3,-1.5 4,-1.1 1,-0.2 -1,-0.2 0.917 78.3 41.1 -44.7 -58.0 15.1 82.6 32.7 160 170 A S H > S+ 0 0 87 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.854 110.4 55.7 -63.3 -40.8 18.0 84.0 34.7 161 171 A T H > S+ 0 0 8 1,-0.3 4,-2.9 2,-0.2 5,-0.3 0.952 108.9 48.4 -58.7 -48.0 19.9 80.8 35.1 162 172 A L H X S+ 0 0 39 -4,-2.6 4,-1.5 -9,-0.4 -1,-0.3 0.799 112.1 51.8 -61.2 -27.4 19.9 80.4 31.3 163 173 A S H X S+ 0 0 54 -4,-1.1 4,-1.7 -5,-0.3 -2,-0.2 0.913 110.5 45.3 -75.3 -44.7 21.1 84.1 31.2 164 174 A M H X S+ 0 0 19 -4,-2.9 4,-2.1 2,-0.2 -2,-0.2 0.924 113.7 48.9 -63.7 -48.1 24.0 83.6 33.6 165 175 A F H X S+ 0 0 41 -4,-2.9 4,-1.7 1,-0.3 -1,-0.2 0.931 109.9 53.9 -56.6 -44.8 25.1 80.4 31.9 166 176 A Q H X S+ 0 0 110 -4,-1.5 4,-1.7 -5,-0.3 -1,-0.3 0.862 105.6 53.3 -58.6 -36.6 24.9 82.3 28.7 167 177 A D H X S+ 0 0 90 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.909 105.3 53.5 -67.0 -40.1 27.1 85.0 30.2 168 178 A A H X S+ 0 0 6 -4,-2.1 4,-1.8 -57,-0.3 -1,-0.2 0.856 107.4 51.5 -61.8 -37.3 29.8 82.5 31.1 169 179 A M H X S+ 0 0 88 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.902 110.7 47.0 -67.8 -41.3 29.9 81.1 27.5 170 180 A A H X S+ 0 0 47 -4,-1.7 4,-2.5 1,-0.2 -2,-0.2 0.935 113.1 49.9 -64.4 -44.4 30.4 84.6 26.1 171 181 A S H X S+ 0 0 0 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.828 110.6 50.6 -61.9 -33.9 33.1 85.3 28.6 172 182 A D H X S+ 0 0 37 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.877 110.8 47.0 -73.7 -38.2 34.8 82.0 27.7 173 183 A S H >< S+ 0 0 50 -4,-2.2 3,-0.8 1,-0.2 4,-0.3 0.913 109.7 55.2 -67.7 -42.4 34.8 82.7 24.0 174 184 A R H >X S+ 0 0 119 -4,-2.5 3,-1.9 1,-0.2 4,-0.6 0.847 98.1 62.5 -57.5 -39.8 36.1 86.2 24.7 175 185 A M H >X S+ 0 0 15 -4,-1.4 4,-1.8 1,-0.3 3,-1.0 0.842 86.6 73.6 -56.9 -34.8 39.1 84.8 26.6 176 186 A F H S+ 0 0 69 -3,-1.9 4,-2.4 -4,-0.3 3,-0.3 0.936 101.2 49.2 -65.6 -45.8 41.3 86.6 22.3 178 188 A L H < S+ 0 0 0 -4,-1.6 3,-0.8 -3,-0.3 -2,-0.2 0.913 111.6 50.3 -69.3 -43.3 45.7 84.8 20.6 181 191 A Q H >< S+ 0 0 83 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.897 112.1 48.2 -61.1 -41.1 47.5 87.8 22.2 182 192 A E H 3< S+ 0 0 132 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.575 120.1 37.4 -76.5 -12.1 49.6 85.6 24.4 183 193 A N T X< + 0 0 19 -3,-0.8 3,-1.8 -4,-0.6 4,-0.4 -0.187 63.1 139.8-137.0 48.3 50.6 83.2 21.5 184 194 A K G X> + 0 0 80 -3,-0.7 3,-2.2 1,-0.3 4,-1.6 0.877 66.8 71.4 -57.8 -40.7 51.1 85.3 18.3 185 195 A R G 34 S+ 0 0 144 1,-0.3 4,-0.4 2,-0.2 -1,-0.3 0.708 89.7 65.3 -51.3 -18.4 54.1 83.2 17.3 186 196 A V G <4 S+ 0 0 4 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.856 115.9 23.9 -74.2 -33.2 51.6 80.5 16.6 187 197 A F T X4 S+ 0 0 4 -3,-2.2 3,-1.2 -4,-0.4 -2,-0.2 0.467 95.4 100.9-110.7 -1.9 50.0 82.5 13.7 188 198 A E T 3< S+ 0 0 135 -4,-1.6 -3,-0.1 1,-0.2 -2,-0.1 0.854 84.4 39.0 -52.8 -52.3 52.8 84.8 12.7 189 199 A G T 3 S+ 0 0 79 -4,-0.4 -1,-0.2 -3,-0.1 2,-0.2 0.386 92.6 113.4 -85.3 7.6 54.2 83.2 9.5 190 200 A L < - 0 0 26 -3,-1.2 3,-0.1 1,-0.1 -3,-0.0 -0.563 40.7-177.6 -83.9 141.5 50.8 82.1 8.2 191 201 A E S S+ 0 0 140 1,-0.3 24,-2.3 -2,-0.2 2,-0.3 0.696 75.8 18.1-101.5 -31.6 49.3 83.6 5.1 192 202 A S E -c 215 0B 18 22,-0.2 58,-0.7 2,-0.0 2,-0.3 -0.965 59.7-171.0-141.9 157.1 46.0 81.6 5.3 193 203 A L E -cd 216 250B 0 22,-2.4 24,-2.5 -2,-0.3 2,-0.6 -0.989 12.9-149.0-150.6 136.3 44.0 79.7 7.9 194 204 A V E -cd 217 251B 0 56,-2.5 58,-3.3 -2,-0.3 2,-1.0 -0.940 10.7-153.0-112.1 120.0 40.9 77.5 7.7 195 205 A D E > -cd 218 252B 0 22,-2.3 24,-2.2 -2,-0.6 3,-1.2 -0.775 16.1-147.5 -93.9 95.9 38.6 77.6 10.8 196 206 A V E 3 S+c 219 0B 0 56,-1.9 58,-0.4 -2,-1.0 24,-0.2 -0.466 80.9 3.4 -69.7 126.7 36.9 74.2 10.8 197 207 A G T 3 S+ 0 0 1 22,-2.5 -1,-0.3 -2,-0.3 23,-0.2 0.924 82.2 157.2 65.6 42.0 33.4 74.3 12.2 198 208 A G X - 0 0 6 21,-1.5 3,-2.6 -3,-1.2 4,-0.5 0.223 32.6-155.4 -83.9 14.0 33.7 78.1 12.5 199 209 A G T 3 - 0 0 14 20,-0.3 -1,-0.3 1,-0.3 -2,-0.1 -0.253 67.2 -16.2 52.8-117.7 30.0 78.5 12.5 200 210 A T T 3 S- 0 0 101 -3,-0.1 -1,-0.3 -2,-0.1 18,-0.1 0.229 108.2 -84.7-103.0 10.7 29.1 82.0 11.3 201 211 A G S <> S+ 0 0 10 -3,-2.6 4,-1.9 -6,-0.1 -2,-0.2 0.605 83.8 133.8 101.0 11.6 32.6 83.5 11.8 202 212 A G H > S+ 0 0 46 -4,-0.5 4,-1.0 2,-0.2 -3,-0.1 0.938 80.0 40.2 -59.9 -49.0 32.6 84.5 15.5 203 213 A V H >> S+ 0 0 17 -5,-0.3 4,-2.2 1,-0.2 3,-0.5 0.914 113.3 53.8 -67.6 -43.5 36.0 83.0 16.2 204 214 A T H 3> S+ 0 0 0 -6,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.841 102.1 59.7 -61.9 -29.9 37.6 84.1 12.9 205 215 A K H 3< S+ 0 0 137 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.878 106.1 48.0 -65.8 -35.0 36.5 87.7 13.7 206 216 A L H XX S+ 0 0 32 -4,-1.0 3,-1.7 -3,-0.5 4,-1.0 0.931 109.8 51.0 -68.7 -45.3 38.6 87.5 16.8 207 217 A I H >X S+ 0 0 0 -4,-2.2 4,-3.3 1,-0.3 3,-0.9 0.914 107.8 55.0 -56.9 -40.6 41.5 86.1 14.9 208 218 A H H 3< S+ 0 0 40 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.600 99.3 61.7 -68.9 -11.2 41.0 89.1 12.5 209 219 A E H <4 S+ 0 0 93 -3,-1.7 -1,-0.2 -4,-0.3 -2,-0.2 0.772 117.7 27.0 -84.8 -26.4 41.3 91.5 15.4 210 220 A I H << S+ 0 0 22 -4,-1.0 -2,-0.2 -3,-0.9 -3,-0.1 0.754 133.3 33.1-103.1 -33.7 44.8 90.4 16.1 211 221 A F >< + 0 0 29 -4,-3.3 3,-2.5 -5,-0.2 -1,-0.1 -0.496 65.4 168.6-123.7 64.8 46.0 89.2 12.7 212 222 A P T 3 S+ 0 0 75 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.705 76.5 52.8 -47.6 -28.2 44.1 91.5 10.2 213 223 A H T 3 S+ 0 0 168 2,-0.1 2,-0.4 -21,-0.0 -5,-0.1 0.490 81.0 109.6 -90.2 -4.8 46.2 90.4 7.2 214 224 A L < - 0 0 8 -3,-2.5 2,-0.8 -7,-0.2 -22,-0.2 -0.588 69.1-134.0 -74.5 126.2 45.6 86.7 7.7 215 225 A K E -c 192 0B 76 -24,-2.3 -22,-2.4 -2,-0.4 2,-0.4 -0.719 33.2-175.4 -81.5 110.9 43.4 85.2 5.0 216 226 A C E -ce 193 234B 0 17,-2.7 19,-1.5 -2,-0.8 2,-0.5 -0.871 17.8-161.7-112.6 143.4 40.9 83.1 6.9 217 227 A T E -ce 194 235B 7 -24,-2.5 -22,-2.3 -2,-0.4 2,-0.7 -0.982 14.5-143.0-124.7 122.7 38.1 80.9 5.6 218 228 A V E -ce 195 236B 0 17,-2.3 19,-1.8 -2,-0.5 2,-0.5 -0.768 21.5-163.5 -83.8 117.2 35.3 79.9 7.9 219 229 A F E +ce 196 237B 8 -24,-2.2 -22,-2.5 -2,-0.7 -21,-1.5 -0.904 27.3 124.6-109.0 127.2 34.4 76.3 7.1 220 230 A D E - e 0 238B 5 17,-1.8 19,-1.9 -2,-0.5 -24,-0.0 -0.894 60.2 -47.4-159.3-172.8 31.1 74.7 8.2 221 231 A Q >> - 0 0 69 -2,-0.3 4,-2.3 17,-0.2 3,-1.4 -0.387 54.0-112.9 -69.9 145.7 28.0 72.9 7.0 222 232 A P H 3> S+ 0 0 77 0, 0.0 4,-1.0 0, 0.0 -1,-0.1 0.873 115.5 50.0 -44.1 -47.7 26.1 74.3 4.0 223 233 A Q H 34 S+ 0 0 138 1,-0.2 4,-0.1 2,-0.2 15,-0.0 0.737 112.2 46.6 -69.2 -23.0 23.1 75.3 6.1 224 234 A V H <4 S+ 0 0 37 -3,-1.4 -1,-0.2 1,-0.2 3,-0.1 0.880 115.2 43.3 -85.7 -39.6 25.1 77.1 8.8 225 235 A V H >< S+ 0 0 4 -4,-2.3 3,-2.4 1,-0.2 -2,-0.2 0.598 85.0 177.0 -78.8 -10.0 27.3 79.1 6.4 226 236 A G T 3< - 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