==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 30-MAY-12 4FEV . COMPND 2 MOLECULE: AMINOGLYCOSIDE 3'-PHOSPHOTRANSFERASE APHA1-IAB; . SOURCE 2 ORGANISM_SCIENTIFIC: ACINETOBACTER BAUMANNII; . AUTHOR P.J.STOGIOS,E.EVDOKIMOVA,Z.WAWRZAK,G.MINASOV,O.EGOROVA,R.DI . 1562 11 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 71047.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1120 71.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 275 17.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 . 96 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 209 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 489 31.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 0.8 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 2 1 0 6 0 4 2 18 0 6 0 1 11 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 6 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 0 PARALLEL BRIDGES PER LADDER . 5 7 5 14 11 4 6 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 12 0 0 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 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 5 A Q 0 0 176 0, 0.0 2,-0.4 0, 0.0 284,-0.3 0.000 360.0 360.0 360.0 130.1 -24.8 17.9 -6.9 2 6 A R - 0 0 194 283,-0.2 282,-0.2 282,-0.1 281,-0.1 -0.802 360.0-166.0-126.3 90.0 -27.3 15.5 -5.3 3 7 A E - 0 0 90 280,-0.8 281,-0.2 -2,-0.4 -1,-0.1 0.695 12.9-169.8 -52.5 -26.1 -30.2 15.6 -7.8 4 8 A T + 0 0 74 279,-1.0 2,-0.5 1,-0.2 -1,-0.1 0.645 23.8 151.9 43.1 31.7 -32.3 13.9 -5.1 5 9 A S - 0 0 71 278,-0.1 2,-1.1 1,-0.0 278,-0.6 -0.783 49.0-121.2 -88.8 132.0 -35.3 13.2 -7.4 6 10 A C + 0 0 99 -2,-0.5 2,-0.1 276,-0.1 276,-0.1 -0.620 50.1 150.3 -78.6 100.8 -37.3 10.1 -6.3 7 11 A S - 0 0 64 -2,-1.1 274,-0.2 2,-0.0 284,-0.0 -0.340 24.7-159.0-108.1-162.7 -37.3 7.6 -9.1 8 12 A R 0 0 163 -2,-0.1 -2,-0.0 273,-0.0 0, 0.0 -0.823 360.0 360.0-179.2 136.1 -37.5 3.8 -9.1 9 13 A P 0 0 97 0, 0.0 -2,-0.0 0, 0.0 0, 0.0 0.148 360.0 360.0 -59.4 360.0 -36.6 1.0 -11.5 10 ! 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 11 18 A N >> 0 0 138 0, 0.0 3,-0.7 0, 0.0 4,-0.5 0.000 360.0 360.0 360.0 -57.1 -35.7 -11.6 -12.1 12 19 A L T 34 + 0 0 18 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.625 360.0 77.2 -67.6 -12.5 -34.4 -15.2 -12.1 13 20 A D T >4 S+ 0 0 115 1,-0.2 3,-1.0 2,-0.2 -1,-0.2 0.938 96.5 39.8 -64.5 -50.3 -37.9 -16.6 -11.7 14 21 A A T <4 S+ 0 0 57 -3,-0.7 3,-0.4 1,-0.2 -1,-0.2 0.575 103.0 70.7 -80.9 -9.6 -39.2 -16.1 -15.2 15 22 A D T 3< S+ 0 0 52 -4,-0.5 -1,-0.2 1,-0.2 -2,-0.2 0.653 104.5 42.5 -74.8 -14.9 -35.9 -17.2 -16.8 16 23 A L S X S+ 0 0 18 -3,-1.0 3,-1.5 -4,-0.4 -1,-0.2 0.349 78.0 138.6-118.8 3.2 -36.6 -20.7 -15.6 17 24 A Y T 3 S+ 0 0 140 -3,-0.4 -3,-0.1 1,-0.2 -4,-0.0 -0.280 76.7 3.9 -51.8 125.1 -40.3 -21.1 -16.4 18 25 A G T 3 S+ 0 0 61 1,-0.2 2,-0.3 21,-0.0 -1,-0.2 0.663 92.6 134.1 75.9 20.1 -41.1 -24.6 -17.8 19 26 A Y < - 0 0 14 -3,-1.5 2,-0.4 20,-0.1 -1,-0.2 -0.744 54.0-125.9 -96.2 149.5 -37.7 -26.2 -17.6 20 27 A R E -A 37 0A 162 17,-3.4 17,-1.8 -2,-0.3 2,-0.4 -0.773 28.5-137.0 -85.8 140.0 -37.0 -29.7 -16.3 21 28 A W E +A 36 0A 20 -2,-0.4 251,-1.6 251,-0.3 2,-0.3 -0.846 26.5 170.4-102.6 132.1 -34.4 -29.8 -13.6 22 29 A A E -AB 35 271A 0 13,-2.0 13,-2.9 -2,-0.4 2,-0.6 -0.991 29.0-131.7-132.8 148.0 -31.5 -32.3 -13.3 23 30 A R E -AB 34 270A 88 247,-5.0 247,-2.7 -2,-0.3 3,-0.3 -0.884 33.1-164.1-104.4 118.1 -28.6 -32.1 -10.9 24 31 A D E +A 33 0A 25 9,-2.5 9,-0.5 -2,-0.6 245,-0.2 -0.286 56.4 24.4-100.5 175.6 -25.3 -32.8 -12.6 25 32 A N S > S- 0 0 57 1,-0.1 3,-2.3 2,-0.1 -1,-0.2 0.788 74.5-176.5 41.7 41.7 -21.6 -33.6 -11.9 26 33 A V T 3 + 0 0 36 242,-1.4 -1,-0.1 -3,-0.3 -2,-0.1 0.762 67.1 38.2 -42.1 -57.6 -23.0 -35.2 -8.7 27 34 A G T 3 S+ 0 0 61 239,-0.2 2,-0.3 241,-0.1 -1,-0.3 0.148 93.4 105.1 -87.9 20.6 -19.8 -36.3 -6.9 28 35 A Q < - 0 0 137 -3,-2.3 239,-0.0 3,-0.1 0, 0.0 -0.766 69.2-113.4-102.5 151.0 -17.6 -33.4 -7.8 29 36 A S S S+ 0 0 98 -2,-0.3 2,-0.3 3,-0.0 -1,-0.1 -0.195 72.1 35.6 -73.0 165.5 -16.5 -30.6 -5.5 30 37 A G S S+ 0 0 49 2,-0.0 24,-0.1 3,-0.0 3,-0.1 -0.660 97.1 16.2 98.6-146.7 -17.5 -26.9 -5.8 31 38 A A S S- 0 0 19 -2,-0.3 2,-0.3 23,-0.1 19,-0.2 -0.284 76.1-108.2 -68.2 145.6 -20.7 -25.4 -6.9 32 39 A T E - C 0 49A 54 17,-2.2 17,-2.3 -9,-0.0 2,-0.5 -0.596 38.7-149.8 -67.0 131.3 -24.0 -27.3 -7.2 33 40 A I E -AC 24 48A 26 -9,-0.5 -9,-2.5 -2,-0.3 2,-0.4 -0.940 13.6-170.5-115.1 123.6 -24.7 -27.7 -10.9 34 41 A Y E -AC 23 47A 26 13,-2.5 13,-2.6 -2,-0.5 2,-0.5 -0.924 11.9-149.9-108.8 134.8 -28.2 -27.9 -12.5 35 42 A R E -AC 22 46A 49 -13,-2.9 -13,-2.0 -2,-0.4 2,-0.5 -0.897 11.4-158.3 -98.3 130.7 -28.9 -28.8 -16.1 36 43 A L E +AC 21 45A 0 9,-3.1 9,-2.4 -2,-0.5 2,-0.3 -0.953 33.1 132.2-113.6 123.6 -32.1 -27.2 -17.4 37 44 A Y E +A 20 0A 51 -17,-1.8 -17,-3.4 -2,-0.5 7,-0.0 -0.881 29.3 66.8-156.3 175.3 -33.7 -29.0 -20.3 38 45 A G + 0 0 51 -2,-0.3 -1,-0.1 1,-0.2 -17,-0.1 0.715 61.2 134.9 70.3 20.3 -36.8 -30.3 -21.9 39 46 A K > - 0 0 58 3,-0.3 3,-1.3 -19,-0.1 -1,-0.2 -0.931 61.2-117.5 -98.4 116.0 -38.4 -27.0 -22.3 40 47 A P T 3 S+ 0 0 101 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.229 91.4 5.5 -50.8 134.5 -40.0 -26.8 -25.8 41 48 A N T 3 S+ 0 0 176 1,-0.1 0, 0.0 0, 0.0 0, 0.0 0.756 109.4 100.2 62.6 30.8 -38.5 -24.1 -28.1 42 49 A A S < S- 0 0 34 -3,-1.3 -3,-0.3 3,-0.0 -1,-0.1 -0.996 72.9-108.0-147.0 143.0 -35.7 -23.1 -25.6 43 50 A P - 0 0 72 0, 0.0 2,-0.1 0, 0.0 -4,-0.0 -0.258 39.6 -98.0 -68.8 152.6 -32.0 -23.9 -25.4 44 51 A E - 0 0 66 49,-0.1 49,-2.5 48,-0.0 2,-0.3 -0.434 47.4-164.5 -61.2 142.2 -30.5 -26.1 -22.7 45 52 A L E -CD 36 92A 0 -9,-2.4 -9,-3.1 47,-0.3 2,-0.4 -0.909 15.1-142.3-128.9 157.8 -29.1 -24.1 -19.8 46 53 A F E -CD 35 91A 53 45,-2.9 45,-2.9 -2,-0.3 2,-0.5 -0.973 10.5-161.5-118.6 140.5 -26.8 -24.6 -16.9 47 54 A L E -CD 34 90A 1 -13,-2.6 -13,-2.5 -2,-0.4 2,-0.4 -0.963 3.0-164.2-123.0 118.0 -27.2 -23.1 -13.4 48 55 A K E -CD 33 89A 31 41,-3.1 41,-2.7 -2,-0.5 2,-0.5 -0.840 3.3-169.1 -98.5 134.0 -24.3 -22.9 -10.9 49 56 A H E -CD 32 88A 34 -17,-2.3 -17,-2.2 -2,-0.4 2,-0.5 -0.962 4.0-176.1-125.6 116.3 -25.0 -22.2 -7.3 50 57 A G E - D 0 87A 0 37,-2.8 37,-2.3 -2,-0.5 2,-0.4 -0.934 4.7-165.5-112.5 132.5 -22.1 -21.4 -4.9 51 58 A K E > - D 0 86A 119 -2,-0.5 3,-1.3 35,-0.2 35,-0.2 -0.905 57.7 -22.2-111.9 144.4 -22.6 -20.8 -1.1 52 59 A G T >> S- 0 0 34 33,-2.5 3,-1.3 -2,-0.4 4,-0.6 -0.352 135.2 -0.3 64.0-134.9 -20.0 -19.3 1.2 53 60 A S H >> S+ 0 0 100 1,-0.3 3,-1.4 2,-0.2 4,-1.0 0.860 131.4 62.9 -55.6 -36.2 -16.4 -19.4 -0.1 54 61 A V H <> S+ 0 0 40 -3,-1.3 4,-2.2 1,-0.3 -1,-0.3 0.787 89.8 67.6 -62.8 -25.8 -17.6 -21.2 -3.2 55 62 A A H <> S+ 0 0 0 -3,-1.3 4,-2.0 1,-0.2 -1,-0.3 0.836 97.2 54.0 -61.5 -31.1 -19.7 -18.1 -4.1 56 63 A N H < S+ 0 0 38 -4,-1.9 3,-1.4 -5,-0.2 -2,-0.2 0.957 117.4 46.8 -73.3 -52.2 -14.2 -11.2 -20.6 68 75 A L H >X S+ 0 0 0 -4,-3.0 3,-2.4 1,-0.3 4,-1.9 0.747 92.6 77.6 -71.5 -23.1 -13.0 -14.2 -22.5 69 76 A T T 3< S+ 0 0 64 -4,-2.0 -1,-0.3 -5,-0.3 5,-0.2 0.744 83.1 67.8 -60.9 -20.4 -16.1 -14.6 -24.6 70 77 A A T <4 S+ 0 0 81 -3,-1.4 -1,-0.3 -4,-0.3 -2,-0.2 0.729 115.9 25.1 -66.8 -19.8 -14.9 -11.7 -26.8 71 78 A F T <4 S+ 0 0 74 -3,-2.4 -2,-0.2 -4,-0.2 -1,-0.2 0.670 123.3 34.0-116.1 -28.3 -12.0 -13.9 -28.0 72 79 A M S < S- 0 0 9 -4,-1.9 2,-0.7 135,-0.0 -1,-0.2 -0.859 86.7 -90.5-133.6 161.6 -13.1 -17.6 -27.7 73 80 A P + 0 0 43 0, 0.0 134,-1.7 0, 0.0 -4,-0.1 -0.691 62.1 154.5 -78.8 113.3 -16.3 -19.7 -28.0 74 81 A L - 0 0 14 -2,-0.7 134,-0.1 132,-0.2 2,-0.0 -0.865 49.8 -81.1-135.0 161.3 -17.8 -19.9 -24.5 75 82 A P - 0 0 12 0, 0.0 2,-0.4 0, 0.0 18,-0.1 -0.388 51.7-118.6 -59.5 145.9 -21.1 -20.3 -22.7 76 83 A T - 0 0 79 16,-0.1 16,-1.9 17,-0.1 2,-0.5 -0.748 18.8-121.5 -93.6 133.7 -23.2 -17.1 -22.7 77 84 A I E +E 91 0A 18 -2,-0.4 14,-0.2 14,-0.2 3,-0.1 -0.610 32.8 172.1 -71.7 118.2 -24.2 -15.5 -19.4 78 85 A K E - 0 0 77 12,-3.0 2,-0.3 -2,-0.5 13,-0.2 0.814 68.0 -12.1 -89.7 -38.3 -28.0 -15.3 -19.2 79 86 A H E -E 90 0A 1 11,-1.6 11,-3.2 261,-0.2 -1,-0.4 -0.975 55.7-171.0-165.3 141.0 -28.1 -14.1 -15.6 80 87 A F E -EF 89 339A 0 259,-1.8 259,-2.5 -2,-0.3 2,-0.4 -0.993 5.3-172.5-140.8 136.2 -25.9 -13.8 -12.5 81 88 A I E -EF 88 338A 24 7,-2.3 7,-2.4 -2,-0.3 2,-0.5 -0.996 3.0-169.5-129.0 134.8 -26.9 -12.9 -8.9 82 89 A R E +EF 87 337A 15 255,-2.6 255,-2.0 -2,-0.4 5,-0.2 -0.989 10.8 169.5-123.2 121.1 -24.6 -12.2 -6.0 83 90 A T E > -E 86 0A 33 3,-2.7 3,-0.6 -2,-0.5 253,-0.2 -0.747 55.4 -87.3-115.4 169.4 -25.9 -12.0 -2.4 84 91 A P T 3 S+ 0 0 77 0, 0.0 250,-0.1 0, 0.0 252,-0.1 0.820 125.5 17.2 -49.7 -34.5 -23.7 -11.8 0.7 85 92 A D T 3 S+ 0 0 98 -34,-0.1 -33,-2.5 -30,-0.0 2,-0.3 0.400 121.7 58.2-117.4 0.5 -23.5 -15.6 1.0 86 93 A D E < -DE 51 83A 19 -3,-0.6 -3,-2.7 -35,-0.2 2,-0.4 -0.960 47.9-168.8-138.0 149.8 -24.6 -16.9 -2.4 87 94 A A E -DE 50 82A 0 -37,-2.3 -37,-2.8 -2,-0.3 2,-0.5 -0.996 6.7-169.7-135.6 133.8 -23.8 -16.7 -6.1 88 95 A W E -DE 49 81A 12 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.5 -0.991 3.4-173.4-121.7 126.0 -26.0 -18.0 -8.9 89 96 A L E -DE 48 80A 2 -41,-2.7 -41,-3.1 -2,-0.5 2,-0.5 -0.965 1.8-170.4-123.4 116.3 -24.7 -18.2 -12.5 90 97 A L E +DE 47 79A 0 -11,-3.2 -12,-3.0 -2,-0.5 -11,-1.6 -0.920 16.3 166.7-107.9 121.8 -27.1 -19.1 -15.3 91 98 A T E -DE 46 77A 15 -45,-2.9 -45,-2.9 -2,-0.5 2,-0.2 -0.876 38.6-101.4-129.9 161.6 -25.5 -19.8 -18.7 92 99 A T E -D 45 0A 29 -16,-1.9 -47,-0.3 -2,-0.3 2,-0.2 -0.585 43.7-114.6 -77.7 141.8 -26.4 -21.4 -22.1 93 100 A A - 0 0 17 -49,-2.5 -49,-0.1 -2,-0.2 -17,-0.1 -0.506 14.4-132.3 -75.4 143.4 -25.2 -24.9 -22.6 94 101 A I - 0 0 29 -2,-0.2 112,-0.1 -19,-0.1 -1,-0.0 -0.904 35.1-124.6 -88.0 116.7 -22.7 -25.6 -25.3 95 102 A P + 0 0 74 0, 0.0 2,-0.3 0, 0.0 110,-0.1 -0.281 65.5 44.0 -63.4 146.4 -24.2 -28.6 -27.1 96 103 A G S S- 0 0 45 104,-0.1 2,-0.3 102,-0.0 104,-0.2 -0.817 83.3 -57.7 126.5-160.2 -22.2 -31.8 -27.4 97 104 A K E -K 199 0B 81 102,-2.6 102,-3.6 -2,-0.3 2,-0.0 -0.854 49.8 -99.7-125.2 155.2 -20.0 -34.1 -25.5 98 105 A T E > -K 198 0B 8 -2,-0.3 4,-2.3 100,-0.2 100,-0.2 -0.290 34.3-110.0 -69.0 160.7 -16.7 -33.6 -23.6 99 106 A A H > S+ 0 0 0 98,-2.0 4,-2.3 95,-0.8 96,-0.2 0.893 122.5 54.5 -53.7 -42.0 -13.3 -34.5 -25.2 100 107 A F H > S+ 0 0 19 94,-1.9 4,-1.8 97,-0.2 -1,-0.2 0.933 108.0 48.4 -59.8 -48.0 -13.2 -37.3 -22.6 101 108 A Q H > S+ 0 0 74 93,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.894 112.7 46.6 -59.6 -42.8 -16.6 -38.6 -23.7 102 109 A V H X S+ 0 0 14 -4,-2.3 4,-2.4 1,-0.2 -1,-0.2 0.851 108.8 55.4 -73.8 -31.4 -15.7 -38.6 -27.4 103 110 A L H < S+ 0 0 2 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.851 111.6 44.0 -67.2 -35.8 -12.3 -40.2 -26.8 104 111 A E H < S+ 0 0 36 -4,-1.8 684,-2.6 -5,-0.2 -2,-0.2 0.855 117.4 45.8 -74.4 -34.6 -14.0 -43.1 -25.0 105 112 A E H < S+ 0 0 63 -4,-1.9 -2,-0.2 1,-0.3 -3,-0.2 0.793 125.3 29.7 -79.9 -29.5 -16.7 -43.4 -27.7 106 113 A Y >< + 0 0 108 -4,-2.4 3,-2.3 -5,-0.1 -1,-0.3 -0.637 65.2 171.0-131.4 75.5 -14.4 -43.1 -30.7 107 114 A P G > S+ 0 0 5 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.810 80.5 58.1 -57.7 -30.7 -11.0 -44.6 -29.6 108 115 A D G 3 S+ 0 0 49 1,-0.3 3,-0.3 2,-0.1 4,-0.2 0.610 96.4 63.3 -74.2 -12.6 -9.8 -44.5 -33.2 109 116 A S G <> + 0 0 44 -3,-2.3 4,-2.5 -7,-0.2 3,-0.3 0.359 69.7 109.4 -91.6 4.5 -10.4 -40.7 -33.3 110 117 A G H <> S+ 0 0 0 -3,-1.2 4,-2.5 1,-0.2 -1,-0.2 0.870 77.3 47.3 -49.0 -48.2 -7.8 -40.1 -30.6 111 118 A E H > S+ 0 0 60 -3,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.878 112.5 47.8 -66.2 -42.1 -5.3 -38.5 -32.9 112 119 A N H > S+ 0 0 115 -3,-0.3 4,-2.2 -4,-0.2 -1,-0.2 0.878 112.0 51.7 -63.5 -40.0 -7.8 -36.1 -34.5 113 120 A I H X S+ 0 0 8 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.944 110.6 46.5 -63.4 -48.8 -9.1 -35.1 -31.1 114 121 A V H X S+ 0 0 0 -4,-2.5 4,-2.6 -5,-0.2 5,-0.2 0.922 110.6 53.3 -60.6 -45.5 -5.6 -34.3 -29.7 115 122 A D H X S+ 0 0 29 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.926 110.3 47.8 -53.6 -45.9 -4.8 -32.3 -32.9 116 123 A A H X S+ 0 0 30 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.881 111.1 50.6 -64.7 -38.5 -7.9 -30.3 -32.4 117 124 A L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -1,-0.2 0.901 110.7 49.4 -65.5 -43.3 -7.2 -29.7 -28.7 118 125 A A H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.895 112.2 47.2 -61.2 -43.8 -3.6 -28.5 -29.5 119 126 A V H X S+ 0 0 83 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.902 112.6 49.8 -64.7 -42.6 -4.9 -26.1 -32.2 120 127 A F H X S+ 0 0 4 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.896 110.2 51.0 -62.5 -41.9 -7.5 -24.7 -29.8 121 128 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 -2,-0.2 0.914 107.1 52.9 -64.7 -42.8 -4.9 -24.3 -27.1 122 129 A R H X S+ 0 0 101 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.890 107.9 52.5 -56.6 -40.4 -2.6 -22.4 -29.5 123 130 A R H >< S+ 0 0 118 -4,-1.9 3,-0.5 2,-0.2 4,-0.4 0.938 111.5 44.9 -62.3 -46.7 -5.6 -20.1 -30.3 124 131 A L H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 63,-0.3 0.947 112.9 50.6 -61.6 -47.3 -6.2 -19.3 -26.6 125 132 A H H 3< S+ 0 0 14 -4,-2.8 62,-0.3 1,-0.3 -1,-0.2 0.665 100.9 66.2 -67.5 -13.6 -2.5 -18.8 -25.9 126 133 A S T << + 0 0 83 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.554 69.2 112.2 -85.9 -8.1 -2.3 -16.4 -28.9 127 134 A I S < S- 0 0 11 -3,-1.6 60,-0.5 -4,-0.4 5,-0.1 -0.528 82.2-110.1 -64.8 119.5 -4.6 -13.8 -27.2 128 135 A P > - 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0 0 54 -7,-2.7 2,-0.3 -2,-0.7 -6,-0.2 0.349 48.7 -16.0-115.2 4.7 25.2 -84.2 26.4 1514 213 F G E -D 1506 0R 0 -8,-0.9 -8,-2.9 -112,-0.1 2,-0.3 -0.936 45.0-128.1 172.8 164.9 24.9 -80.4 27.0 1515 214 F C E -D 1505 0R 1 -134,-1.6 2,-0.3 -2,-0.3 -10,-0.2 -0.936 21.7-168.3-129.9 160.7 25.3 -77.2 28.9 1516 215 F I + 0 0 50 -12,-1.8 -2,-0.0 -2,-0.3 -12,-0.0 -0.824 55.8 57.3-137.8 172.7 22.8 -74.6 30.0 1517 216 F D + 0 0 64 -2,-0.3 3,-0.4 1,-0.1 -1,-0.2 0.981 55.4 165.0 66.9 61.4 22.7 -71.1 31.4 1518 217 F V > + 0 0 0 1,-0.2 3,-1.9 -3,-0.1 -1,-0.1 0.181 30.4 117.5-101.4 17.7 24.8 -69.4 28.6 1519 218 F G T 3 S+ 0 0 23 1,-0.3 -1,-0.2 -147,-0.1 -21,-0.1 0.680 79.3 48.2 -60.9 -18.9 24.1 -65.7 29.2 1520 219 F R T 3 S+ 0 0 78 -23,-0.4 -1,-0.3 -3,-0.4 -24,-0.1 0.311 78.9 136.5-104.5 7.9 27.8 -65.0 30.0 1521 220 F V < + 0 0 0 -3,-1.9 2,-0.3 -26,-0.1 -24,-0.2 -0.231 30.3 100.4 -54.2 138.2 29.3 -66.8 26.9 1522 221 F G E S- F 01496S 0 -26,-1.9 -26,-3.0 -78,-0.1 2,-0.4 -0.928 75.6 -46.5 164.2 178.4 32.0 -64.9 25.2 1523 222 F I E S+eF14431495S 24 -81,-2.5 -79,-2.2 -2,-0.3 2,-0.3 -0.586 72.0 130.7 -75.7 127.1 35.7 -64.5 24.7 1524 223 F A E - F 01494S 4 -30,-2.2 -30,-2.6 -2,-0.4 -79,-0.2 -0.917 62.7 -57.6-160.1 179.5 37.6 -64.5 28.0 1525 224 F D E > - F 01493S 10 -2,-0.3 3,-2.4 -32,-0.2 4,-0.4 -0.466 46.8-123.5 -70.6 142.1 40.6 -66.1 29.8 1526 225 F R T >> S+ 0 0 56 -34,-2.0 4,-2.0 1,-0.3 3,-1.1 0.809 109.4 68.9 -58.4 -26.6 40.3 -69.9 29.8 1527 226 F Y H 3> S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.3 0.675 80.7 76.5 -67.3 -13.8 40.7 -69.7 33.6 1528 227 F Q H <> S+ 0 0 4 -3,-2.4 4,-0.8 2,-0.2 -28,-0.3 0.908 108.8 28.9 -59.7 -39.8 37.2 -68.2 33.7 1529 228 F D H <> S+ 0 0 0 -3,-1.1 4,-2.0 -4,-0.4 5,-0.3 0.858 119.7 53.9 -87.7 -40.6 35.8 -71.6 33.1 1530 229 F L H X S+ 0 0 0 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.919 108.2 52.0 -57.4 -43.6 38.5 -73.7 34.8 1531 230 F A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.912 109.3 46.6 -62.6 -46.5 38.2 -71.7 38.0 1532 231 F I H X S+ 0 0 7 -4,-0.8 4,-2.1 -5,-0.3 -30,-0.2 0.929 116.8 43.3 -66.3 -43.1 34.5 -72.1 38.5 1533 232 F L H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.911 112.8 53.1 -67.4 -42.0 34.5 -75.9 37.7 1534 233 F W H X S+ 0 0 51 -4,-2.8 4,-0.8 -5,-0.3 -2,-0.2 0.921 107.8 52.3 -56.5 -45.4 37.6 -76.4 39.9 1535 234 F N H >< S+ 0 0 41 -4,-2.5 3,-1.3 1,-0.2 4,-0.3 0.948 108.6 49.4 -55.3 -51.0 35.8 -74.6 42.7 1536 235 F C H >< S+ 0 0 25 -4,-2.1 3,-1.2 1,-0.3 -1,-0.2 0.813 103.9 59.6 -60.1 -33.5 32.8 -77.0 42.4 1537 236 F L H >X S+ 0 0 0 -4,-1.9 3,-2.0 1,-0.3 4,-2.0 0.675 85.6 80.2 -73.0 -15.0 35.0 -80.0 42.5 1538 237 F G T << S+ 0 0 35 -3,-1.3 -1,-0.3 -4,-0.8 -2,-0.2 0.766 82.3 63.1 -57.2 -28.6 36.2 -78.9 45.9 1539 238 F E T <4 S+ 0 0 133 -3,-1.2 -1,-0.3 -4,-0.3 -2,-0.2 0.573 112.7 37.3 -73.2 -7.0 33.0 -80.4 47.4 1540 239 F F T <4 S- 0 0 54 -3,-2.0 -2,-0.2 1,-0.2 -3,-0.1 0.824 125.0 -46.6-109.0 -64.4 34.3 -83.7 46.1 1541 240 F S X - 0 0 34 -4,-2.0 4,-1.8 1,-0.1 -1,-0.2 -0.945 30.7-121.5-167.8 154.8 38.1 -83.9 46.5 1542 241 F P H > S+ 0 0 100 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.785 114.4 59.6 -65.0 -27.6 41.4 -82.1 46.0 1543 242 F S H > S+ 0 0 69 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.918 105.8 46.1 -66.4 -41.5 42.5 -85.0 43.8 1544 243 F L H > S+ 0 0 17 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.870 110.2 54.6 -69.6 -36.6 39.6 -84.5 41.4 1545 244 F Q H X S+ 0 0 26 -4,-1.8 4,-1.1 -8,-0.2 3,-0.2 0.942 111.6 44.1 -56.0 -50.8 40.3 -80.7 41.4 1546 245 F K H X S+ 0 0 117 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.878 109.1 58.0 -63.0 -38.0 43.9 -81.4 40.3 1547 246 F R H X S+ 0 0 44 -4,-2.3 4,-2.9 1,-0.2 5,-0.3 0.828 96.9 61.9 -63.7 -34.7 42.7 -84.0 37.8 1548 247 F L H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.2 -1,-0.2 0.945 109.3 40.9 -55.7 -49.3 40.5 -81.5 36.0 1549 248 F F H X>S+ 0 0 2 -4,-1.1 5,-2.6 2,-0.2 4,-2.2 0.946 114.5 52.6 -64.6 -47.6 43.6 -79.4 35.2 1550 249 F Q H <5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.917 114.6 40.6 -52.4 -51.0 45.7 -82.5 34.4 1551 250 F K H <5S+ 0 0 103 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.802 110.9 57.1 -73.6 -30.7 43.2 -83.9 31.9 1552 251 F Y H <5S- 0 0 13 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.846 125.7-101.4 -66.1 -35.0 42.4 -80.5 30.4 1553 252 F G T <5S+ 0 0 52 -4,-2.2 2,-0.6 1,-0.2 -3,-0.2 0.546 84.0 117.3 126.2 14.8 46.1 -80.2 29.6 1554 253 F I < + 0 0 31 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.2 -0.934 28.7 175.4-114.7 113.4 47.7 -78.0 32.3 1555 254 F D S S+ 0 0 120 -2,-0.6 -1,-0.1 1,-0.3 -5,-0.1 0.836 81.2 41.4 -83.0 -35.0 50.3 -79.6 34.5 1556 255 F N S S- 0 0 148 -7,-0.1 -1,-0.3 -6,-0.0 3,-0.0 -0.790 85.7-149.1-116.6 86.6 51.3 -76.4 36.4 1557 256 F P - 0 0 44 0, 0.0 2,-1.2 0, 0.0 3,-0.1 -0.246 20.1-119.7 -54.1 134.0 48.0 -74.5 37.1 1558 257 F D > - 0 0 66 1,-0.2 4,-2.3 2,-0.1 5,-0.1 -0.703 28.3-169.3 -77.2 97.6 48.5 -70.7 37.2 1559 258 F M H > S+ 0 0 112 -2,-1.2 4,-2.6 1,-0.2 -1,-0.2 0.792 82.2 57.0 -64.8 -28.2 47.4 -70.2 40.8 1560 259 F N H > S+ 0 0 59 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.954 110.6 41.4 -65.3 -52.3 47.3 -66.4 40.3 1561 260 F K H > S+ 0 0 13 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.846 114.6 54.1 -62.7 -34.2 44.9 -66.6 37.4 1562 261 F L H X S+ 0 0 3 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.967 111.5 43.4 -63.1 -50.4 42.9 -69.2 39.3 1563 262 F Q H X S+ 0 0 86 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.898 110.8 56.1 -64.8 -41.2 42.6 -67.0 42.4 1564 263 F F H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.936 110.4 43.9 -54.6 -48.0 41.7 -64.0 40.3 1565 264 F H H X S+ 0 0 6 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.838 112.1 52.2 -72.1 -29.9 38.8 -65.7 38.6 1566 265 F L H X S+ 0 0 8 -4,-2.0 4,-0.7 2,-0.2 -1,-0.2 0.914 112.4 46.5 -67.4 -41.6 37.5 -67.2 41.9 1567 266 F M H >< S+ 0 0 1 -4,-2.6 3,-0.8 1,-0.2 4,-0.4 0.903 110.2 53.4 -67.7 -41.0 37.6 -63.7 43.4 1568 267 F L H >< S+ 0 0 2 -4,-2.5 3,-1.7 1,-0.2 -1,-0.2 0.911 103.2 56.2 -59.1 -45.6 35.9 -62.2 40.4 1569 268 F D H >< S+ 0 0 39 -4,-2.1 3,-1.7 1,-0.3 -1,-0.2 0.712 89.5 76.8 -61.2 -19.9 33.0 -64.8 40.6 1570 269 F E T << S+ 0 0 13 -3,-0.8 -107,-0.4 -4,-0.7 -1,-0.3 0.780 90.5 57.1 -58.8 -25.1 32.4 -63.6 44.2 1571 270 F F T < 0 0 1 -3,-1.7 -1,-0.3 -4,-0.4 -2,-0.2 0.509 360.0 360.0 -84.7 -5.1 30.7 -60.5 42.8 1572 271 F F < 0 0 53 -3,-1.7 -1,-0.2 -4,-0.2 -2,-0.2 0.452 360.0 360.0-115.1 360.0 28.1 -62.5 40.7