==== 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 TRANSFERASE 03-NOV-08 3F5B . COMPND 2 MOLECULE: AMINOGLYCOSIDE N(6')ACETYLTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LEGIONELLA PNEUMOPHILA SUBSP. PNEUMOPH . AUTHOR K.TAN,R.WU,V.PEREZ,R.JEDRZEJCZAK,A.JOACHIMIAK,MIDWEST CENTER . 172 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10017.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 122 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 41 23.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1.7 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 . 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 . 9 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 47 27.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 1 0 0 2 0 0 1 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 1 1 0 2 1 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 0 0 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 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 N > 0 0 136 0, 0.0 3,-1.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.0 12.4 53.4 2.2 2 0 A A T 3 + 0 0 114 1,-0.3 0, 0.0 2,-0.2 0, 0.0 0.646 360.0 43.0 -70.0 -16.1 12.5 54.3 6.0 3 1 A X T 3 0 0 162 1,-0.1 -1,-0.3 0, 0.0 0, 0.0 0.167 360.0 360.0-116.7 21.1 11.4 50.8 7.2 4 2 A X < 0 0 202 -3,-1.4 -2,-0.2 0, 0.0 -1,-0.1 0.437 360.0 360.0-111.9 360.0 13.7 48.7 4.8 5 ! 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 6 9 A E 0 0 235 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-163.0 28.0 42.5 5.2 7 10 A F - 0 0 78 1,-0.1 102,-0.0 105,-0.1 101,-0.0 -0.424 360.0-165.2 -78.8 138.7 29.6 39.1 5.8 8 11 A R + 0 0 123 -2,-0.2 58,-0.6 100,-0.1 2,-0.2 0.832 68.1 63.1 -81.7 -38.3 33.3 38.7 6.6 9 12 A F E -A 65 0A 12 56,-0.1 2,-0.4 99,-0.1 56,-0.2 -0.566 62.1-149.7-102.1 158.2 33.7 35.0 6.0 10 13 A C E -A 64 0A 54 54,-2.2 54,-3.3 -2,-0.2 2,-0.4 -0.928 12.6-161.5-122.6 142.1 33.3 32.6 3.0 11 14 A F E +A 63 0A 12 -2,-0.4 2,-0.3 52,-0.2 52,-0.2 -0.986 13.0 168.3-130.4 138.3 32.2 29.0 3.2 12 15 A K E -A 62 0A 110 50,-2.1 50,-2.4 -2,-0.4 2,-0.1 -0.994 40.1 -99.4-144.0 152.8 32.6 26.1 0.6 13 16 A Q E -A 61 0A 107 -2,-0.3 48,-0.3 48,-0.2 46,-0.0 -0.409 56.2 -96.9 -63.4 143.8 32.3 22.4 0.5 14 17 A X - 0 0 11 46,-2.6 2,-0.3 -2,-0.1 46,-0.1 -0.310 38.1-165.0 -61.1 146.1 35.6 20.7 0.8 15 18 A N > - 0 0 77 -3,-0.1 3,-2.2 46,-0.0 4,-0.3 -0.850 37.9 -97.5-125.5 167.2 37.6 19.6 -2.2 16 19 A K G > S+ 0 0 121 -2,-0.3 3,-1.3 1,-0.3 4,-0.4 0.740 116.1 68.0 -54.8 -27.8 40.6 17.2 -2.3 17 20 A S G 3 S+ 0 0 103 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.674 103.1 45.3 -71.3 -13.5 43.1 19.9 -2.3 18 21 A Q G <> S+ 0 0 20 -3,-2.2 4,-2.1 1,-0.1 -1,-0.3 0.344 85.1 99.4-106.4 1.7 42.2 20.8 1.3 19 22 A H H <> S+ 0 0 29 -3,-1.3 4,-2.8 -4,-0.3 5,-0.2 0.936 84.2 42.8 -56.2 -54.9 42.2 17.3 2.6 20 23 A E H > S+ 0 0 168 -4,-0.4 4,-2.4 1,-0.2 5,-0.2 0.889 111.0 57.7 -64.2 -37.8 45.6 17.2 4.2 21 24 A L H > S+ 0 0 66 -4,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.928 111.7 40.4 -51.9 -52.0 45.0 20.7 5.7 22 25 A V H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.894 111.0 57.6 -70.9 -39.8 41.9 19.5 7.5 23 26 A L H < S+ 0 0 49 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.919 109.5 45.4 -54.6 -42.4 43.5 16.2 8.5 24 27 A G H >< S+ 0 0 46 -4,-2.4 3,-1.9 1,-0.2 -2,-0.2 0.952 109.8 57.3 -63.6 -47.0 46.4 18.1 10.2 25 28 A W H >< S+ 0 0 19 -4,-2.2 3,-1.5 1,-0.3 6,-0.2 0.876 103.9 50.1 -50.2 -46.3 43.8 20.4 11.8 26 29 A I T 3< S+ 0 0 0 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.345 104.1 59.8 -89.0 9.3 41.9 17.6 13.5 27 30 A H T < S+ 0 0 95 -3,-1.9 -1,-0.3 -4,-0.2 -2,-0.2 0.193 78.0 114.6-109.4 11.3 45.0 16.1 15.0 28 31 A Q S X> S- 0 0 53 -3,-1.5 4,-3.2 -4,-0.1 3,-1.1 -0.606 75.8-122.0 -78.3 142.7 45.9 19.3 17.0 29 32 A P H 3> S+ 0 0 118 0, 0.0 4,-1.4 0, 0.0 -1,-0.1 0.888 111.2 55.9 -53.4 -40.2 45.8 18.9 20.8 30 33 A H H 34 S+ 0 0 53 1,-0.2 4,-0.2 2,-0.2 -4,-0.1 0.817 114.3 40.1 -65.5 -26.6 43.2 21.7 21.2 31 34 A I H X> S+ 0 0 11 -3,-1.1 4,-2.6 -6,-0.2 3,-2.0 0.871 110.3 58.2 -83.9 -42.6 40.9 19.9 18.8 32 35 A N H 3< S+ 0 0 45 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.630 87.6 77.1 -66.4 -11.0 41.7 16.4 20.2 33 36 A E T 3< S+ 0 0 121 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.1 0.848 118.0 13.7 -57.5 -31.3 40.5 17.6 23.6 34 37 A W T <4 S+ 0 0 83 -3,-2.0 2,-0.6 1,-0.2 -2,-0.2 0.607 125.4 59.7-123.7 -24.6 37.0 17.2 22.2 35 38 A L S < S+ 0 0 12 -4,-2.6 2,-0.3 4,-0.1 -1,-0.2 -0.929 74.2 110.3-116.0 112.8 37.5 15.2 19.0 36 39 A H >> + 0 0 64 -2,-0.6 3,-1.0 -3,-0.1 4,-1.0 -0.940 53.9 19.2-165.6 172.2 39.1 11.8 19.6 37 40 A G H 3> S- 0 0 53 -2,-0.3 4,-2.6 1,-0.3 3,-0.2 -0.194 126.3 -5.5 55.7-136.9 38.5 8.0 19.6 38 41 A D H 3> S+ 0 0 104 116,-0.4 4,-3.3 1,-0.2 -1,-0.3 0.840 135.2 58.3 -59.8 -40.4 35.4 6.9 17.7 39 42 A G H <> S+ 0 0 8 -3,-1.0 4,-1.8 115,-0.4 -1,-0.2 0.912 111.6 41.3 -53.0 -48.9 34.4 10.5 17.0 40 43 A L H X S+ 0 0 26 -4,-1.0 4,-2.7 -3,-0.2 -2,-0.2 0.916 114.7 50.9 -67.2 -48.9 37.7 11.2 15.3 41 44 A S H X S+ 0 0 71 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.934 111.4 47.9 -53.1 -51.8 37.8 7.9 13.5 42 45 A N H X S+ 0 0 77 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.876 111.5 52.0 -56.9 -42.6 34.2 8.5 12.2 43 46 A T H X S+ 0 0 16 -4,-1.8 4,-2.4 -5,-0.2 5,-0.2 0.935 109.7 47.2 -58.6 -49.4 35.2 12.0 11.1 44 47 A I H X S+ 0 0 55 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.920 113.9 48.7 -61.2 -47.6 38.2 10.8 9.1 45 48 A K H X S+ 0 0 130 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.923 113.2 45.9 -55.8 -49.4 36.2 8.1 7.4 46 49 A D H X S+ 0 0 11 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.868 109.4 54.0 -70.3 -34.6 33.3 10.3 6.4 47 50 A L H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.911 109.5 49.7 -63.9 -42.1 35.6 13.1 5.1 48 51 A H H X S+ 0 0 95 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.905 110.5 48.9 -59.7 -45.4 37.3 10.5 2.9 49 52 A E H <>S+ 0 0 61 -4,-2.1 5,-3.3 1,-0.2 -2,-0.2 0.937 112.5 49.5 -60.6 -46.5 33.9 9.2 1.6 50 53 A F H ><5S+ 0 0 43 -4,-2.7 3,-0.6 1,-0.2 -1,-0.2 0.887 115.8 41.9 -56.0 -45.3 32.8 12.8 0.9 51 54 A L H 3<5S+ 0 0 19 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.747 115.3 49.4 -79.3 -23.9 36.0 13.6 -1.0 52 55 A N T 3<5S- 0 0 61 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.025 115.5-100.7-110.4 28.4 36.3 10.4 -2.9 53 56 A D T < 5S+ 0 0 157 -3,-0.6 -3,-0.2 -4,-0.1 -4,-0.1 0.920 81.1 134.3 54.2 45.7 32.8 10.0 -4.4 54 57 A G S S-AB 9 68A 14 3,-2.7 3,-2.6 -2,-0.3 2,-0.2 -0.947 79.0 -60.5-113.2 99.0 38.7 34.7 6.1 66 69 A N T 3 S- 0 0 123 -2,-0.6 -56,-0.1 -58,-0.6 -58,-0.0 -0.416 124.4 -12.2 53.1-120.3 39.6 36.1 2.6 67 70 A E T 3 S+ 0 0 144 -2,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.515 120.3 96.6 -79.6 -4.2 42.4 33.8 1.5 68 71 A I E < -B 65 0A 47 -3,-2.6 -3,-2.7 2,-0.0 2,-0.2 -0.770 60.7-154.4 -99.8 109.3 42.8 32.3 5.0 69 72 A P E +B 64 0A 26 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.570 28.7 154.8 -73.4 140.8 41.1 28.9 5.8 70 73 A F E + 0 0 0 -7,-2.4 26,-1.5 1,-0.3 27,-1.3 0.505 47.1 43.2-147.3 -13.6 40.5 28.6 9.5 71 74 A A E -BC 63 95A 0 -8,-1.1 -8,-2.1 24,-0.2 2,-0.4 -0.981 52.8-148.4-143.6 160.2 37.6 26.3 10.4 72 75 A Y E -BC 62 94A 0 22,-2.6 22,-2.5 -2,-0.3 2,-0.3 -0.989 19.5-174.0-130.5 129.6 36.0 23.0 9.5 73 76 A L E -BC 61 93A 0 -12,-1.9 -12,-3.4 -2,-0.4 2,-0.4 -0.943 10.2-161.8-130.7 149.4 32.3 22.3 9.6 74 77 A I E -BC 60 92A 18 18,-3.0 18,-2.5 -2,-0.3 2,-0.4 -0.999 12.7-178.2-134.7 123.6 30.2 19.2 9.2 75 78 A T E +BC 59 91A 4 -16,-2.3 -16,-3.1 -2,-0.4 2,-0.3 -0.955 6.9 179.0-124.5 147.6 26.4 19.3 8.5 76 79 A S E - C 0 90A 46 14,-1.9 14,-3.1 -2,-0.4 2,-0.2 -0.993 23.9-123.3-144.9 149.2 23.7 16.7 8.0 77 80 A E E - C 0 89A 173 -2,-0.3 2,-0.4 12,-0.2 12,-0.2 -0.556 9.9-150.6 -95.0 150.3 20.1 16.9 7.4 78 81 A I E - C 0 88A 49 10,-2.9 10,-1.5 -2,-0.2 3,-0.1 -0.969 27.1-118.4-116.1 131.7 17.2 15.5 9.3 79 82 A E - 0 0 144 -2,-0.4 8,-0.3 8,-0.2 5,-0.2 -0.338 36.6 -87.9 -69.4 150.4 14.0 14.7 7.4 80 83 A K S S+ 0 0 148 6,-0.2 2,-0.3 5,-0.1 -1,-0.1 -0.310 87.6 79.3 -48.0 135.2 10.6 16.3 8.1 81 84 A S + 0 0 49 3,-2.2 6,-0.2 1,-0.1 5,-0.1 -0.975 67.2 36.1 164.3-149.1 8.8 14.3 10.9 82 85 A E S S- 0 0 173 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.545 128.3 -19.7 15.7-126.9 8.8 13.9 14.7 83 86 A E S S+ 0 0 132 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.480 137.3 67.4 -83.2 -6.1 9.5 17.2 16.6 84 87 A Y > + 0 0 18 -5,-0.2 -3,-2.2 1,-0.1 3,-0.6 -0.767 55.0 162.7-118.5 83.0 11.0 18.5 13.4 85 88 A P T 3 S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.710 86.5 39.0 -76.9 -20.7 8.1 18.8 10.9 86 89 A D T 3 S- 0 0 91 1,-0.4 36,-0.3 -3,-0.1 -6,-0.2 0.302 118.7-124.6-103.8 5.0 10.1 21.1 8.7 87 90 A G < - 0 0 3 -3,-0.6 -1,-0.4 -8,-0.3 2,-0.3 -0.417 24.2-120.0 83.6-162.2 13.2 19.0 9.4 88 91 A A E -C 78 0A 7 -10,-1.5 -10,-2.9 -2,-0.1 2,-0.4 -0.953 2.7-126.1-173.0 153.9 16.5 20.3 10.8 89 92 A V E -Cd 77 124A 6 34,-2.3 36,-3.0 -2,-0.3 2,-0.5 -0.946 20.2-147.1-110.3 134.9 20.2 20.5 10.1 90 93 A T E -Cd 76 125A 24 -14,-3.1 -14,-1.9 -2,-0.4 2,-0.4 -0.891 17.8-157.6-101.8 132.4 22.8 19.2 12.6 91 94 A L E -Cd 75 126A 3 34,-3.1 36,-0.5 -2,-0.5 2,-0.4 -0.894 16.9-178.5-114.7 135.6 26.0 21.2 12.8 92 95 A D E -C 74 0A 77 -18,-2.5 -18,-3.0 -2,-0.4 2,-0.3 -0.997 16.8-176.2-122.8 138.0 29.5 20.2 14.0 93 96 A L E -C 73 0A 18 -2,-0.4 2,-0.4 -20,-0.2 -20,-0.2 -0.988 17.6-170.0-141.6 151.7 32.2 22.8 13.9 94 97 A F E -C 72 0A 22 -22,-2.5 -22,-2.6 -2,-0.3 2,-1.0 -0.972 14.1-153.0-139.8 111.4 35.9 23.1 14.6 95 98 A I E +C 71 0A 14 -2,-0.4 -24,-0.2 -24,-0.2 6,-0.1 -0.812 22.4 179.3 -85.8 109.7 37.8 26.3 14.8 96 99 A C + 0 0 1 -26,-1.5 2,-0.5 -2,-1.0 -25,-0.2 0.562 53.7 73.0 -98.9 -13.9 41.2 25.0 13.8 97 100 A R S > S- 0 0 90 -27,-1.3 3,-2.0 1,-0.1 4,-0.1 -0.919 71.5-144.7-100.0 127.1 43.4 28.1 13.8 98 101 A L G > S+ 0 0 118 -2,-0.5 3,-1.2 1,-0.3 -1,-0.1 0.804 98.8 61.8 -60.5 -28.6 44.2 29.4 17.3 99 102 A D G 3 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.492 102.9 53.4 -78.1 2.6 44.1 33.0 16.2 100 103 A Y G < S+ 0 0 21 -3,-2.0 -1,-0.2 -30,-0.1 -2,-0.2 0.304 76.9 98.9-115.0 11.4 40.5 32.5 15.2 101 104 A I < + 0 0 47 -3,-1.2 -1,-0.1 -4,-0.1 -2,-0.1 0.458 44.5 134.3 -86.2 -1.0 39.1 31.1 18.5 102 105 A G > - 0 0 35 -3,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.114 58.5-132.3 -51.6 140.9 37.5 34.4 19.8 103 106 A K H > S+ 0 0 86 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.936 107.3 47.2 -64.7 -45.2 34.0 33.9 21.2 104 107 A G H > S+ 0 0 47 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.902 113.4 49.3 -64.5 -40.6 32.6 36.9 19.3 105 108 A L H > S+ 0 0 33 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.876 109.6 51.7 -61.2 -41.9 34.4 35.8 16.1 106 109 A S H X S+ 0 0 5 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.905 109.8 49.6 -64.0 -40.1 32.9 32.2 16.6 107 110 A V H X S+ 0 0 17 -4,-2.2 4,-2.8 2,-0.2 5,-0.2 0.926 111.3 49.1 -64.2 -43.9 29.4 33.6 17.0 108 111 A Q H X S+ 0 0 65 -4,-2.2 4,-2.9 1,-0.2 5,-0.2 0.927 111.9 48.6 -63.3 -43.6 29.8 35.7 13.9 109 112 A X H X S+ 0 0 0 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.927 111.1 50.3 -62.3 -44.3 31.1 32.7 11.9 110 113 A I H X S+ 0 0 1 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.955 113.7 45.4 -56.1 -51.4 28.2 30.5 13.1 111 114 A H H X S+ 0 0 29 -4,-2.8 4,-2.6 1,-0.2 5,-0.2 0.918 113.9 48.0 -62.2 -44.2 25.7 33.2 12.1 112 115 A E H X S+ 0 0 0 -4,-2.9 4,-2.2 -5,-0.2 -1,-0.2 0.873 111.2 51.4 -65.7 -36.3 27.3 33.9 8.7 113 116 A F H X S+ 0 0 1 -4,-2.6 4,-2.5 -5,-0.2 5,-0.5 0.961 112.1 45.5 -63.3 -49.3 27.5 30.1 7.9 114 117 A I H X S+ 0 0 2 -4,-2.5 4,-2.2 1,-0.2 7,-0.2 0.925 117.8 43.4 -60.3 -47.4 23.8 29.5 8.8 115 118 A L H < S+ 0 0 28 -4,-2.6 4,-0.4 -5,-0.2 -1,-0.2 0.805 117.9 45.0 -68.1 -32.0 22.7 32.6 6.8 116 119 A S H < S+ 0 0 50 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.796 131.3 18.0 -78.7 -33.4 25.0 31.9 3.8 117 120 A Q H < S+ 0 0 66 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.545 134.7 29.6-117.5 -15.7 24.3 28.1 3.5 118 121 A F >< + 0 0 31 -4,-2.2 3,-1.9 -5,-0.5 -3,-0.2 0.039 66.2 129.1-141.3 32.1 21.0 27.4 5.4 119 122 A S T 3 S+ 0 0 49 -4,-0.4 -4,-0.1 1,-0.3 -1,-0.1 0.731 80.6 52.2 -60.8 -25.2 18.9 30.5 5.2 120 123 A D T 3 S+ 0 0 117 -3,-0.1 -1,-0.3 -5,-0.0 2,-0.2 0.395 92.1 97.2 -87.3 -7.6 16.0 28.3 3.9 121 124 A T < - 0 0 29 -3,-1.9 3,-0.1 -7,-0.2 -34,-0.1 -0.588 61.5-153.3 -87.3 149.9 16.3 25.9 6.8 122 125 A K S S+ 0 0 69 -36,-0.3 44,-2.1 1,-0.2 45,-0.5 0.875 72.0 24.0 -87.0 -40.3 14.1 26.2 9.9 123 126 A I E - E 0 165A 30 42,-0.2 -34,-2.3 43,-0.1 2,-0.4 -0.980 55.6-161.2-139.4 132.6 16.2 24.7 12.7 124 127 A V E -dE 89 164A 2 40,-2.1 40,-2.4 -2,-0.4 2,-0.4 -0.966 13.7-159.6-112.0 137.3 19.9 24.1 13.4 125 128 A L E -dE 90 163A 4 -36,-3.0 -34,-3.1 -2,-0.4 2,-0.3 -0.944 8.9-177.3-116.4 139.3 21.0 21.6 16.0 126 129 A I E -dE 91 162A 4 36,-2.0 36,-2.2 -2,-0.4 -34,-0.1 -0.986 8.8-161.8-134.3 147.2 24.3 21.4 17.8 127 130 A N + 0 0 37 -36,-0.5 34,-0.1 -2,-0.3 3,-0.1 -0.518 15.5 173.9-132.6 63.0 25.4 18.8 20.3 128 131 A P - 0 0 11 0, 0.0 32,-2.6 0, 0.0 2,-0.2 -0.357 41.2-101.5 -77.9 154.9 28.4 19.6 22.5 129 132 A E B > -F 159 0A 27 30,-0.3 3,-1.9 1,-0.1 30,-0.3 -0.523 32.1-127.8 -61.2 134.1 29.8 17.6 25.4 130 133 A I T 3 S+ 0 0 41 28,-2.1 29,-0.1 1,-0.3 6,-0.1 0.892 109.4 59.0 -59.8 -37.1 28.5 19.2 28.6 131 134 A S T 3 S+ 0 0 81 27,-0.5 2,-2.1 1,-0.2 -1,-0.3 0.638 81.7 87.7 -62.4 -20.7 32.1 19.4 29.9 132 135 A N <> + 0 0 24 -3,-1.9 4,-2.0 1,-0.2 3,-0.2 -0.563 59.2 170.9 -79.8 71.6 33.1 21.5 26.9 133 136 A E H > + 0 0 152 -2,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.830 67.9 53.7 -59.9 -36.6 32.1 24.6 28.8 134 137 A R H > S+ 0 0 106 -3,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 109.3 47.7 -65.7 -44.1 33.5 27.1 26.2 135 138 A A H > S+ 0 0 14 -3,-0.2 4,-3.2 2,-0.2 5,-0.3 0.942 111.3 50.7 -59.9 -47.0 31.6 25.6 23.3 136 139 A V H X S+ 0 0 13 -4,-2.0 4,-2.5 -7,-0.2 -2,-0.2 0.911 112.4 48.6 -56.9 -44.9 28.4 25.6 25.3 137 140 A H H X S+ 0 0 95 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.932 112.1 46.7 -62.9 -50.3 29.0 29.2 26.2 138 141 A V H X S+ 0 0 5 -4,-2.8 4,-1.9 2,-0.2 -2,-0.2 0.934 112.7 49.7 -57.3 -46.0 29.7 30.3 22.6 139 142 A Y H X>S+ 0 0 23 -4,-3.2 5,-2.4 1,-0.2 4,-0.6 0.933 110.3 50.2 -66.0 -39.6 26.7 28.4 21.2 140 143 A K H ><5S+ 0 0 116 -4,-2.5 3,-1.2 -5,-0.3 -1,-0.2 0.913 109.1 52.5 -58.7 -43.2 24.5 30.1 23.9 141 144 A K H 3<5S+ 0 0 121 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.827 105.8 55.1 -57.1 -36.1 25.9 33.4 22.8 142 145 A A H 3<5S- 0 0 4 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.569 129.0 -98.2 -75.9 -9.8 25.0 32.6 19.2 143 146 A G T <<5S+ 0 0 39 -3,-1.2 22,-0.3 -4,-0.6 -3,-0.2 0.456 74.2 144.7 105.3 0.8 21.4 32.0 20.3 144 147 A F < - 0 0 4 -5,-2.4 2,-0.4 -6,-0.2 -1,-0.3 -0.509 34.6-151.9 -69.7 140.8 21.3 28.2 20.7 145 148 A E E -G 163 0A 135 18,-2.8 18,-2.3 -2,-0.2 2,-0.3 -0.937 18.7-114.5-117.7 138.3 19.1 26.9 23.5 146 149 A I E +G 162 0A 68 -2,-0.4 16,-0.3 16,-0.2 3,-0.1 -0.528 36.5 170.5 -66.9 120.9 19.6 23.7 25.5 147 150 A I E - 0 0 69 14,-3.6 2,-0.3 1,-0.3 15,-0.2 0.505 59.2 -27.0-112.4 -4.8 16.6 21.5 24.8 148 151 A G E -G 161 0A 28 13,-1.2 13,-2.7 2,-0.0 -1,-0.3 -0.978 55.4-111.2 176.7 174.7 17.8 18.2 26.4 149 152 A E E +G 160 0A 133 -2,-0.3 2,-0.3 11,-0.3 11,-0.2 -0.928 31.1 170.5-123.6 158.9 20.7 16.1 27.5 150 153 A F E -G 159 0A 59 9,-2.3 9,-2.5 -2,-0.3 2,-0.6 -0.970 36.8-113.5-158.2 168.1 21.9 12.7 26.2 151 154 A I E -G 158 0A 105 -2,-0.3 2,-0.2 7,-0.2 -2,-0.0 -0.957 41.3-129.3-109.7 116.7 24.7 10.2 26.3 152 155 A A E > -G 155 0A 2 5,-1.2 3,-0.7 3,-0.7 5,-0.1 -0.473 1.0-140.3 -77.0 136.5 26.5 10.1 23.0 153 156 A S T 3 S+ 0 0 116 1,-0.2 -1,-0.1 -2,-0.2 -2,-0.0 0.847 104.2 45.5 -61.2 -33.1 27.0 6.7 21.3 154 157 A W T 3 S+ 0 0 105 1,-0.3 -115,-0.4 -116,-0.1 -116,-0.4 0.626 132.9 16.7 -87.0 -16.1 30.4 7.6 20.1 155 158 A H E < S- G 0 152A 38 -3,-0.7 2,-2.9 2,-0.1 -3,-0.7 -0.629 80.1-149.6-159.2 82.0 31.6 9.1 23.4 156 159 A P E + 0 0 97 0, 0.0 -3,-0.1 0, 0.0 -5,-0.1 -0.275 58.8 105.4 -74.1 63.2 29.2 8.0 26.3 157 160 A V E S- 0 0 43 -2,-2.9 -5,-1.2 -5,-0.1 -2,-0.1 -0.791 83.7 -68.8-123.1 167.1 29.4 11.0 28.5 158 161 A P E + G 0 151A 69 0, 0.0 -28,-2.1 0, 0.0 -27,-0.5 -0.377 54.9 174.5 -65.7 139.7 26.8 13.7 29.0 159 162 A H E -FG 129 150A 6 -9,-2.5 -9,-2.3 -30,-0.3 2,-0.3 -0.929 25.5-123.9-134.4 156.7 26.1 16.1 26.1 160 163 A Y E - G 0 149A 48 -32,-2.6 2,-0.5 -2,-0.3 -11,-0.3 -0.798 10.4-141.6 -97.1 147.7 23.5 18.8 25.5 161 164 A K E - G 0 148A 51 -13,-2.7 -14,-3.6 -2,-0.3 -13,-1.2 -0.958 30.1-172.6 -99.6 125.9 21.1 18.9 22.6 162 165 A X E -EG 126 146A 0 -36,-2.2 -36,-2.0 -2,-0.5 2,-0.4 -0.940 7.3-160.4-126.4 147.7 20.9 22.6 21.6 163 166 A K E -EG 125 145A 74 -18,-2.3 -18,-2.8 -2,-0.3 2,-0.4 -0.967 6.5-165.5-135.5 139.7 18.6 24.2 19.0 164 167 A L E -E 124 0A 7 -40,-2.4 -40,-2.1 -2,-0.4 2,-0.7 -0.995 17.8-138.4-125.4 133.2 18.6 27.5 17.1 165 168 A C E > -E 123 0A 39 -2,-0.4 4,-2.4 -22,-0.3 3,-0.3 -0.806 8.9-157.6 -90.3 112.4 15.6 29.0 15.2 166 169 A I H > S+ 0 0 0 -44,-2.1 4,-2.4 -2,-0.7 -1,-0.2 0.874 92.5 53.2 -58.5 -37.4 16.8 30.4 11.9 167 170 A E H > S+ 0 0 67 -45,-0.5 4,-2.3 1,-0.2 -1,-0.2 0.874 108.6 49.1 -71.8 -33.6 13.9 32.8 11.6 168 171 A D H > S+ 0 0 91 -3,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.919 108.7 55.1 -61.5 -45.5 14.6 34.3 15.1 169 172 A L H X S+ 0 0 11 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.934 110.8 44.7 -52.3 -50.9 18.2 34.6 14.0 170 173 A K H >< S+ 0 0 74 -4,-2.4 3,-0.9 2,-0.2 -2,-0.2 0.936 112.8 48.8 -59.9 -50.3 17.1 36.7 10.9 171 174 A K H 3< S+ 0 0 171 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.837 118.3 41.6 -62.3 -30.5 14.7 38.9 12.8 172 175 A Q H 3< 0 0 173 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.496 360.0 360.0 -92.5 -6.5 17.3 39.5 15.4 173 176 A R << 0 0 136 -3,-0.9 -3,-0.1 -4,-0.7 -4,-0.0 -0.101 360.0 360.0 -89.2 360.0 20.1 39.9 12.8