==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 06-AUG-10 3OBB . COMPND 2 MOLECULE: PROBABLE 3-HYDROXYISOBUTYRATE DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR K.TAN,A.U.SINGER,E.EVDOKIMOVA,M.KUDRITSKA,A.SAVCHENKO,A.M.ED . 295 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13593.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 221 74.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 10.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 2.4 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 . 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 . 1 0.3 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 . 17 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 118 40.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.7 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 2 1 0 0 3 1 0 1 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 1 0 RESIDUES PER ALPHA HELIX . 0 1 0 3 2 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 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 X 0 0 174 0, 0.0 2,-0.3 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0-128.7 -27.4 26.4 49.1 2 2 A K - 0 0 68 56,-0.0 24,-1.5 57,-0.0 2,-0.7 -0.799 360.0-120.9 -97.0 144.4 -24.4 24.5 47.7 3 3 A Q E -a 26 0A 44 -2,-0.3 56,-2.7 54,-0.2 57,-1.5 -0.809 32.9-167.9 -84.3 114.6 -22.4 22.1 49.9 4 4 A I E -ab 27 60A 0 22,-2.9 24,-2.4 -2,-0.7 2,-0.5 -0.847 14.0-153.7-102.5 135.3 -18.8 23.2 50.0 5 5 A A E -ab 28 61A 0 55,-2.8 57,-2.8 -2,-0.4 2,-0.5 -0.951 13.9-164.6-100.5 129.8 -15.9 21.1 51.4 6 6 A F E -ab 29 62A 0 22,-2.4 24,-2.0 -2,-0.5 2,-0.6 -0.963 3.3-169.0-119.3 115.0 -13.0 23.4 52.6 7 7 A I E +ab 30 63A 5 55,-2.4 57,-2.2 -2,-0.5 24,-0.2 -0.914 59.9 35.5-107.1 118.0 -9.6 21.8 53.1 8 8 A G - 0 0 0 22,-2.8 23,-0.2 -2,-0.6 9,-0.1 0.585 50.0-170.9 106.9 105.9 -7.0 23.9 54.9 9 9 A L + 0 0 3 4,-0.2 56,-0.1 7,-0.1 22,-0.1 -0.325 42.0 125.9-118.9 48.1 -7.9 26.4 57.7 10 10 A G S > S- 0 0 36 54,-0.5 4,-2.6 4,-0.1 55,-0.0 0.142 82.1 -49.5 -85.2-153.2 -4.6 28.2 58.2 11 11 A H T 4 S+ 0 0 119 1,-0.2 117,-0.0 2,-0.2 -1,-0.0 0.817 143.3 21.0 -49.0 -44.7 -3.8 31.9 58.1 12 12 A X T > S+ 0 0 30 2,-0.1 4,-2.0 3,-0.1 -1,-0.2 0.816 120.7 59.5 -95.5 -41.2 -5.7 32.4 54.8 13 13 A G H > S+ 0 0 0 51,-0.2 4,-2.9 1,-0.2 5,-0.3 0.900 100.5 55.3 -58.2 -47.3 -7.9 29.3 54.8 14 14 A A H X S+ 0 0 26 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.960 112.9 37.9 -55.7 -57.8 -9.8 30.1 58.0 15 15 A P H > S+ 0 0 25 0, 0.0 4,-2.4 0, 0.0 -1,-0.2 0.858 116.0 54.1 -67.4 -31.0 -11.0 33.6 57.1 16 16 A X H X S+ 0 0 0 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.930 112.9 42.9 -61.8 -45.9 -11.7 32.5 53.5 17 17 A A H X S+ 0 0 0 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.875 112.3 54.4 -69.8 -35.6 -13.9 29.6 54.7 18 18 A T H X S+ 0 0 31 -4,-2.6 4,-2.0 -5,-0.3 -1,-0.2 0.900 105.1 54.2 -63.1 -41.2 -15.5 31.9 57.3 19 19 A N H X S+ 0 0 18 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.864 104.3 53.9 -60.9 -38.0 -16.4 34.3 54.5 20 20 A L H <>S+ 0 0 0 -4,-1.5 5,-2.0 1,-0.2 4,-0.4 0.929 108.6 50.4 -57.9 -47.3 -18.1 31.6 52.6 21 21 A L H ><5S+ 0 0 25 -4,-1.9 3,-1.2 1,-0.2 -2,-0.2 0.880 108.3 51.1 -53.9 -44.7 -20.2 30.9 55.8 22 22 A K H 3<5S+ 0 0 157 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.860 105.6 57.0 -67.1 -34.2 -21.1 34.6 56.1 23 23 A A T 3<5S- 0 0 50 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.544 126.3-104.0 -67.4 -12.9 -22.2 34.4 52.4 24 24 A G T < 5S+ 0 0 38 -3,-1.2 -3,-0.2 -4,-0.4 -2,-0.1 0.535 71.8 140.6 102.5 6.0 -24.6 31.6 53.4 25 25 A Y < - 0 0 20 -5,-2.0 2,-0.5 -24,-0.1 -1,-0.3 -0.451 52.1-122.2 -74.4 155.8 -22.9 28.5 52.1 26 26 A L E -a 3 0A 95 -24,-1.5 -22,-2.9 -2,-0.1 2,-0.4 -0.882 34.8-165.1 -93.5 127.4 -22.9 25.2 54.0 27 27 A L E -a 4 0A 1 -2,-0.5 19,-2.6 17,-0.3 2,-0.5 -0.953 24.3-164.4-120.9 135.7 -19.3 24.1 54.7 28 28 A N E -ac 5 46A 32 -24,-2.4 -22,-2.4 -2,-0.4 2,-0.3 -0.975 31.5-163.1-100.1 130.1 -17.7 20.8 55.9 29 29 A V E -ac 6 47A 0 17,-2.5 19,-2.9 -2,-0.5 2,-0.3 -0.823 18.2-177.5-119.6 150.8 -14.2 21.7 57.0 30 30 A F E +a 7 0A 49 -24,-2.0 -22,-2.8 -2,-0.3 2,-0.3 -0.974 11.8 153.2-145.9 138.9 -11.0 19.9 57.7 31 31 A D - 0 0 25 -2,-0.3 6,-0.1 17,-0.2 34,-0.0 -0.957 48.2-117.5-149.9 159.7 -7.6 21.0 58.9 32 32 A L S S+ 0 0 144 -2,-0.3 2,-0.6 4,-0.0 -1,-0.0 0.641 98.2 72.9 -71.1 -20.9 -4.7 19.3 60.7 33 33 A V S > S- 0 0 83 1,-0.1 4,-1.7 2,-0.0 3,-0.2 -0.899 71.6-152.4-102.1 121.2 -5.0 21.7 63.7 34 34 A Q H > S+ 0 0 124 -2,-0.6 4,-2.8 1,-0.2 5,-0.1 0.858 94.7 54.5 -61.9 -39.1 -8.1 21.0 65.9 35 35 A S H > S+ 0 0 84 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.872 105.2 53.9 -65.6 -38.7 -8.4 24.6 67.1 36 36 A A H > S+ 0 0 23 -3,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.921 112.0 45.8 -58.2 -43.3 -8.5 25.9 63.5 37 37 A V H X S+ 0 0 7 -4,-1.7 4,-2.5 1,-0.2 3,-0.4 0.931 110.2 53.3 -62.7 -47.6 -11.4 23.5 62.9 38 38 A D H X S+ 0 0 81 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.859 103.1 58.3 -60.4 -36.8 -13.1 24.5 66.1 39 39 A G H X S+ 0 0 43 -4,-2.3 4,-1.0 2,-0.2 -1,-0.2 0.904 110.6 42.3 -55.4 -44.8 -13.0 28.2 65.0 40 40 A L H <>S+ 0 0 2 -4,-1.3 5,-2.3 -3,-0.4 3,-0.2 0.883 112.0 54.1 -73.1 -38.9 -14.9 27.3 61.9 41 41 A V H ><5S+ 0 0 58 -4,-2.5 3,-1.7 1,-0.2 -2,-0.2 0.918 104.7 54.9 -61.4 -44.0 -17.3 25.1 63.8 42 42 A A H 3<5S+ 0 0 93 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.841 106.7 52.4 -55.9 -32.7 -18.1 28.0 66.2 43 43 A A T 3<5S- 0 0 55 -4,-1.0 -1,-0.3 -3,-0.2 -2,-0.2 0.414 135.4 -82.4 -87.9 1.9 -19.0 30.1 63.1 44 44 A G T < 5S+ 0 0 56 -3,-1.7 -17,-0.3 1,-0.3 -3,-0.2 0.455 85.3 131.4 115.0 1.4 -21.4 27.5 61.7 45 45 A A < - 0 0 7 -5,-2.3 2,-0.4 -8,-0.1 -1,-0.3 -0.402 52.7-128.0 -73.8 156.2 -19.3 25.0 59.8 46 46 A S E -c 28 0A 66 -19,-2.6 -17,-2.5 -2,-0.1 2,-0.4 -0.875 25.8-123.4 -97.0 144.8 -19.6 21.2 60.3 47 47 A A E -c 29 0A 58 -2,-0.4 2,-0.3 -19,-0.2 -17,-0.2 -0.716 21.4-149.9 -89.2 135.3 -16.4 19.4 61.1 48 48 A A - 0 0 12 -19,-2.9 -17,-0.2 -2,-0.4 3,-0.1 -0.729 19.5-125.6-100.3 157.8 -15.3 16.6 58.8 49 49 A R S S- 0 0 206 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.724 83.6 -30.7 -66.7 -30.4 -13.3 13.6 59.8 50 50 A S S > S- 0 0 11 1,-0.1 4,-1.9 -21,-0.1 -1,-0.1 -0.956 74.7 -75.9-171.3-179.7 -10.7 14.2 57.1 51 51 A A H > S+ 0 0 10 -2,-0.3 4,-1.7 2,-0.2 5,-0.2 0.946 129.2 46.4 -59.7 -51.8 -10.1 15.6 53.7 52 52 A R H > S+ 0 0 161 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.948 112.3 50.0 -57.2 -50.0 -11.7 12.5 52.0 53 53 A D H >4 S+ 0 0 70 1,-0.2 3,-0.5 2,-0.2 -1,-0.2 0.847 107.9 56.2 -54.9 -38.0 -14.7 12.6 54.4 54 54 A A H 3< S+ 0 0 1 -4,-1.9 3,-0.4 1,-0.2 4,-0.3 0.929 104.6 47.9 -62.1 -55.9 -15.3 16.3 53.7 55 55 A V H >< S+ 0 0 10 -4,-1.7 3,-1.1 1,-0.2 2,-0.5 0.611 86.7 98.0 -61.4 -14.0 -15.6 16.1 49.9 56 56 A Q T << S+ 0 0 115 -4,-0.8 -1,-0.2 -3,-0.5 -2,-0.1 0.110 97.1 20.6 -75.9 27.4 -18.1 13.2 50.4 57 57 A G T 3 S+ 0 0 58 -2,-0.5 -1,-0.2 -3,-0.4 -54,-0.2 0.298 99.5 130.5-151.1 1.0 -21.2 15.3 50.0 58 58 A A < - 0 0 12 -3,-1.1 -54,-0.2 -4,-0.3 3,-0.1 -0.292 47.6-167.6 -85.9 140.0 -19.9 18.4 48.2 59 59 A D S S+ 0 0 84 -56,-2.7 31,-2.1 1,-0.3 2,-0.3 0.727 91.5 18.3 -75.9 -30.6 -20.9 20.4 45.1 60 60 A V E -bd 4 90A 4 -57,-1.5 -55,-2.8 29,-0.2 2,-0.5 -0.996 64.0-153.3-148.6 136.9 -17.4 22.1 45.4 61 61 A V E -bd 5 91A 7 29,-2.5 31,-3.3 -2,-0.3 2,-0.5 -0.970 13.4-174.1-110.0 125.0 -14.1 21.4 47.0 62 62 A I E -bd 6 92A 0 -57,-2.8 -55,-2.4 -2,-0.5 2,-0.3 -0.988 5.2-169.3-117.7 119.0 -11.8 24.4 47.9 63 63 A S E +bd 7 93A 0 29,-1.9 31,-2.0 -2,-0.5 -55,-0.2 -0.792 14.6 173.1-104.5 156.3 -8.3 23.7 49.2 64 64 A X + 0 0 29 -57,-2.2 -54,-0.5 -2,-0.3 -51,-0.2 -0.639 20.0 159.9-158.9 90.9 -5.9 26.2 50.7 65 65 A L - 0 0 25 -2,-0.2 31,-0.5 -56,-0.1 6,-0.1 -0.818 43.3-125.6-120.8 158.0 -2.8 24.6 52.2 66 66 A P S S+ 0 0 99 0, 0.0 2,-0.4 0, 0.0 30,-0.1 0.837 83.1 64.9 -74.9 -32.2 0.7 25.8 53.1 67 67 A A >> - 0 0 39 1,-0.1 4,-2.2 28,-0.0 3,-0.9 -0.795 61.4-148.2-108.7 137.3 3.0 23.4 51.1 68 68 A S H 3> S+ 0 0 18 -2,-0.4 4,-1.0 1,-0.2 -1,-0.1 0.843 106.4 39.0 -58.1 -40.5 3.5 22.8 47.3 69 69 A Q H 34 S+ 0 0 133 2,-0.2 4,-0.2 1,-0.1 -1,-0.2 0.255 110.1 61.0-103.2 13.5 4.2 19.0 47.7 70 70 A H H <> S+ 0 0 109 -3,-0.9 4,-1.6 3,-0.1 -2,-0.2 0.792 105.9 47.7 -82.6 -50.4 1.6 18.6 50.4 71 71 A V H X S+ 0 0 0 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.860 114.0 43.8 -57.8 -44.5 -1.1 19.7 47.9 72 72 A E H X S+ 0 0 26 -4,-1.0 4,-2.4 1,-0.2 5,-0.4 0.943 112.8 51.2 -75.7 -47.8 -0.1 17.4 45.1 73 73 A G H > S+ 0 0 23 -4,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.769 110.5 52.6 -55.3 -30.8 0.5 14.4 47.3 74 74 A L H < S+ 0 0 53 -4,-1.6 -2,-0.2 1,-0.1 -1,-0.2 0.936 118.7 31.9 -70.5 -49.5 -3.0 15.0 48.7 75 75 A Y H < S+ 0 0 2 -4,-1.9 7,-2.0 6,-0.2 8,-0.3 0.722 128.4 33.4 -80.0 -26.1 -4.9 15.1 45.4 76 76 A L H < S+ 0 0 42 -4,-2.4 -3,-0.2 5,-0.1 5,-0.1 0.685 75.3 105.4-109.7 -25.3 -2.8 12.7 43.3 77 77 A D S < S- 0 0 103 -4,-0.9 4,-0.1 -5,-0.4 -1,-0.1 0.410 90.6-105.4 -58.2 -4.0 -1.4 9.8 45.3 78 78 A D S S+ 0 0 148 2,-0.5 -1,-0.2 -3,-0.1 3,-0.1 0.679 106.7 72.4 95.3 23.2 -3.8 7.1 44.0 79 79 A D S S- 0 0 123 1,-1.8 -2,-0.1 -5,-0.2 2,-0.1 -0.419 102.8 -50.2-165.1 62.0 -6.0 6.8 47.2 80 80 A G S S+ 0 0 6 -4,-0.1 -1,-1.8 -5,-0.1 -2,-0.5 -0.152 86.7 96.2 74.9 172.0 -8.0 10.0 47.1 81 81 A L S > S+ 0 0 9 3,-0.2 3,-0.9 -5,-0.1 -6,-0.2 -0.872 118.3 17.7 -87.8 -35.0 -8.3 12.9 47.0 82 82 A L T 3 S+ 0 0 3 -7,-2.0 -6,-0.1 1,-0.2 -7,-0.1 0.857 117.7 69.3 -60.6 -35.4 -9.1 13.2 43.3 83 83 A A T 3 S+ 0 0 42 -8,-0.3 2,-0.5 2,-0.1 -1,-0.2 0.854 95.3 63.7 -50.2 -35.1 -10.0 9.4 43.3 84 84 A H S < S+ 0 0 84 -3,-0.9 -3,-0.2 1,-0.0 2,-0.2 -0.846 81.3 115.7 -94.3 129.0 -13.0 10.7 45.4 85 85 A I - 0 0 65 -2,-0.5 -2,-0.1 1,-0.2 28,-0.0 -0.585 43.8-155.6-160.1-163.7 -15.1 12.9 43.3 86 86 A A 0 0 56 3,-0.2 -1,-0.2 -2,-0.2 28,-0.1 0.193 360.0 360.0-128.3 -90.8 -18.4 13.5 41.6 87 87 A P 0 0 104 0, 0.0 28,-0.1 0, 0.0 26,-0.0 -0.922 360.0 360.0 -94.6 360.0 -18.7 15.3 39.0 88 ! 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 89 89 A T 0 0 21 0, 0.0 26,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 137.9 -18.2 18.6 41.5 90 90 A L E -de 60 115A 17 -31,-2.1 -29,-2.5 24,-0.1 2,-0.5 -0.725 360.0-153.7 -81.8 128.9 -16.1 21.9 41.0 91 91 A V E -de 61 116A 5 24,-3.1 26,-2.3 -2,-0.4 2,-0.6 -0.939 9.7-172.1-110.4 125.4 -12.6 21.9 42.4 92 92 A L E -de 62 117A 0 -31,-3.3 -29,-1.9 -2,-0.5 2,-0.8 -0.932 3.4-169.6-112.2 101.8 -11.0 25.3 43.4 93 93 A E E +de 63 118A 4 24,-2.7 26,-2.1 -2,-0.6 -29,-0.1 -0.839 14.0 167.9 -96.8 106.4 -7.3 24.7 44.3 94 94 A C + 0 0 1 -31,-2.0 27,-0.6 -2,-0.8 -30,-0.1 0.236 33.9 110.9-111.8 6.3 -6.2 28.1 45.9 95 95 A S S S- 0 0 0 25,-0.2 2,-0.7 -28,-0.1 24,-0.1 -0.320 75.4-110.1 -69.1 164.7 -2.9 27.3 47.4 96 96 A T + 0 0 15 -31,-0.5 2,-0.3 24,-0.1 -28,-0.1 -0.915 56.3 149.5-100.6 116.5 0.2 28.7 45.9 97 97 A I - 0 0 1 -2,-0.7 75,-0.1 -29,-0.1 5,-0.1 -0.910 54.3 -70.8-141.9 160.9 2.2 25.9 44.2 98 98 A A > - 0 0 5 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.285 41.6-126.4 -55.6 134.2 4.5 25.5 41.3 99 99 A P H > S+ 0 0 3 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.859 111.1 56.4 -47.4 -43.0 2.7 25.9 37.9 100 100 A T H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.967 108.2 47.7 -55.7 -54.0 4.1 22.5 36.8 101 101 A S H > S+ 0 0 4 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.863 110.2 52.5 -55.0 -40.4 2.5 20.9 39.8 102 102 A A H X S+ 0 0 4 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.835 109.2 49.0 -63.7 -37.7 -0.8 22.7 39.1 103 103 A R H X S+ 0 0 113 -4,-2.2 4,-2.8 -3,-0.4 5,-0.2 0.897 108.8 53.7 -66.8 -42.8 -0.9 21.4 35.5 104 104 A K H X S+ 0 0 111 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.934 113.1 42.1 -55.7 -51.2 -0.2 17.9 36.8 105 105 A I H X S+ 0 0 2 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.922 112.7 55.5 -61.5 -44.8 -3.1 18.1 39.2 106 106 A H H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.903 108.8 46.8 -53.2 -46.3 -5.3 19.8 36.4 107 107 A A H X S+ 0 0 55 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.869 111.1 50.1 -67.3 -41.3 -4.7 16.9 34.0 108 108 A A H < S+ 0 0 23 -4,-1.8 4,-0.3 -5,-0.2 -1,-0.2 0.941 110.1 52.1 -64.4 -42.7 -5.4 14.2 36.5 109 109 A A H ><>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 3,-0.9 0.902 113.3 43.9 -56.3 -44.9 -8.7 16.1 37.4 110 110 A R H ><5S+ 0 0 107 -4,-2.2 3,-2.4 1,-0.2 -2,-0.2 0.924 103.2 63.7 -64.3 -47.3 -9.6 16.2 33.7 111 111 A E T 3<5S+ 0 0 172 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.532 112.0 41.0 -52.4 -4.5 -8.6 12.5 33.1 112 112 A R T < 5S- 0 0 107 -3,-0.9 -1,-0.3 -4,-0.3 -2,-0.2 0.231 121.8-100.4-129.8 -7.3 -11.4 11.9 35.6 113 113 A G T < 5S+ 0 0 48 -3,-2.4 2,-0.3 1,-0.2 -3,-0.2 0.659 71.2 139.9 95.7 13.2 -14.2 14.3 34.5 114 114 A L < - 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h 0 159A 20 -16,-2.3 2,-0.5 -2,-0.4 24,-0.2 -0.969 23.3-161.5-120.2 113.0 -5.7 34.7 39.8 137 137 A V E - h 0 160A 0 22,-2.8 24,-1.8 -2,-0.5 25,-1.2 -0.838 19.9-175.4-116.8 123.8 -7.4 31.9 37.9 138 138 A G E +Fh 118 162A 0 -20,-2.7 -20,-1.8 -2,-0.5 26,-0.3 -0.907 47.2 58.2-107.6 146.0 -6.3 29.3 35.4 139 139 A G S S- 0 0 2 23,-1.7 -22,-0.1 -2,-0.4 2,-0.1 -0.814 86.0 -18.9 133.9-174.5 -8.7 26.9 33.7 140 140 A D > - 0 0 63 -24,-0.4 4,-2.1 -2,-0.2 5,-0.2 -0.416 48.2-131.5 -70.4 138.2 -11.8 26.7 31.5 141 141 A A H > S+ 0 0 61 1,-0.2 4,-2.4 2,-0.2 -1,-0.1 0.862 109.4 60.8 -52.1 -42.1 -14.0 29.8 31.2 142 142 A E H > S+ 0 0 87 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.947 106.2 43.7 -46.3 -58.7 -16.9 27.3 31.9 143 143 A A H > S+ 0 0 1 1,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.839 110.5 55.6 -66.0 -35.0 -15.5 26.4 35.3 144 144 A L H X S+ 0 0 5 -4,-2.1 4,-1.1 2,-0.2 -1,-0.3 0.882 105.3 53.7 -60.9 -40.7 -14.7 30.0 36.1 145 145 A E H >< S+ 0 0 101 -4,-2.4 3,-0.6 2,-0.2 -2,-0.2 0.941 109.9 46.0 -61.5 -44.8 -18.3 30.9 35.4 146 146 A K H 3< S+ 0 0 130 -4,-1.8 4,-0.2 1,-0.2 -2,-0.2 0.913 116.2 46.4 -61.4 -44.2 -19.6 28.2 37.9 147 147 A A H >X S+ 0 0 0 -4,-2.4 4,-1.6 1,-0.2 3,-1.5 0.633 86.3 96.3 -72.2 -15.7 -17.1 29.3 40.5 148 148 A R H XX S+ 0 0 71 -4,-1.1 4,-2.7 -3,-0.6 3,-0.6 0.873 78.9 50.6 -51.5 -55.3 -17.7 33.0 40.2 149 149 A P H 3> S+ 0 0 58 0, 0.0 4,-0.7 0, 0.0 -1,-0.3 0.753 111.5 52.4 -54.4 -25.7 -20.3 33.5 43.1 150 150 A L H <> S+ 0 0 1 -3,-1.5 4,-1.3 -4,-0.2 -2,-0.2 0.863 109.5 46.6 -75.7 -40.9 -17.8 31.8 45.4 151 151 A F H S- 0 0 100 0, 0.0 3,-2.3 0, 0.0 4,-0.4 0.222 98.1 -27.8 -74.1-161.1 -5.6 28.2 30.8 164 164 A D T 3 S+ 0 0 35 -26,-0.3 -61,-0.1 1,-0.3 -25,-0.1 -0.258 134.4 10.1 -54.1 130.2 -4.6 25.4 33.3 165 165 A G T 3> S+ 0 0 0 -63,-0.2 4,-1.6 -27,-0.1 -1,-0.3 0.246 94.1 112.5 85.8 -10.9 -1.8 26.5 35.6 166 166 A A H <> S+ 0 0 16 -3,-2.3 4,-2.6 1,-0.2 5,-0.2 0.758 70.2 60.1 -70.8 -25.8 -2.0 30.2 34.5 167 167 A G H > S+ 0 0 0 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.937 107.8 45.3 -65.8 -45.5 -3.2 31.4 37.9 168 168 A Q H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.869 111.8 52.9 -64.2 -35.7 -0.1 30.0 39.5 169 169 A V H X S+ 0 0 51 -4,-1.6 4,-2.1 2,-0.2 5,-0.2 0.954 111.2 44.9 -65.6 -46.6 2.0 31.6 36.7 170 170 A A H X S+ 0 0 36 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.917 114.1 52.0 -61.9 -41.1 0.5 35.0 37.2 171 171 A K H X S+ 0 0 13 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.882 110.8 44.5 -62.3 -48.2 0.9 34.6 41.0 172 172 A V H X S+ 0 0 2 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.827 114.7 49.1 -71.5 -32.2 4.5 33.7 41.0 173 173 A C H X S+ 0 0 75 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.922 113.7 47.7 -66.2 -44.8 5.4 36.5 38.5 174 174 A N H X S+ 0 0 67 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.923 114.1 44.7 -63.2 -49.9 3.5 39.0 40.6 175 175 A N H X S+ 0 0 10 -4,-2.6 4,-1.9 2,-0.2 -1,-0.2 0.847 111.6 52.6 -69.1 -33.0 5.1 38.0 43.9 176 176 A Q H X S+ 0 0 27 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.903 110.1 48.8 -64.0 -42.3 8.5 37.8 42.5 177 177 A L H X S+ 0 0 107 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.913 108.8 54.4 -62.6 -41.6 8.0 41.4 41.2 178 178 A L H X S+ 0 0 24 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.891 106.8 51.0 -55.9 -41.2 6.8 42.4 44.6 179 179 A A H X S+ 0 0 0 -4,-1.9 4,-2.4 1,-0.2 5,-0.3 0.925 110.8 48.6 -66.2 -44.8 10.0 41.1 46.2 180 180 A V H X S+ 0 0 35 -4,-2.0 4,-2.7 1,-0.2 -2,-0.2 0.928 113.5 45.8 -60.1 -46.9 12.1 43.0 43.8 181 181 A L H X S+ 0 0 36 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.849 111.8 53.1 -70.1 -29.0 10.2 46.3 44.3 182 182 A X H X S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.909 113.6 40.7 -69.1 -43.3 10.3 45.8 48.1 183 183 A I H X S+ 0 0 9 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.948 114.5 53.7 -70.7 -42.9 14.0 45.3 48.2 184 184 A G H X S+ 0 0 30 -4,-2.7 4,-2.0 -5,-0.3 -2,-0.2 0.934 112.1 45.7 -49.6 -49.8 14.4 48.1 45.7 185 185 A T H X S+ 0 0 5 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.933 112.2 49.1 -64.5 -45.3 12.4 50.4 47.9 186 186 A A H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.877 113.6 46.8 -61.6 -40.2 14.2 49.4 51.2 187 187 A E H X S+ 0 0 106 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.853 112.7 49.3 -73.3 -34.9 17.6 50.0 49.6 188 188 A A H X S+ 0 0 29 -4,-2.0 4,-2.6 -5,-0.3 -2,-0.2 0.931 111.1 49.7 -68.6 -44.9 16.5 53.4 48.1 189 189 A X H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.913 113.1 46.7 -58.1 -44.1 15.1 54.6 51.4 190 190 A A H X S+ 0 0 10 -4,-1.9 4,-2.3 -5,-0.2 -1,-0.2 0.909 111.1 51.3 -69.5 -40.7 18.3 53.6 53.2 191 191 A L H X S+ 0 0 114 -4,-2.2 4,-1.0 2,-0.2 -2,-0.2 0.949 113.1 45.3 -59.8 -50.6 20.5 55.3 50.6 192 192 A G H ><>S+ 0 0 11 -4,-2.6 5,-2.0 1,-0.2 3,-1.0 0.952 115.1 46.2 -57.7 -51.8 18.5 58.6 50.8 193 193 A V H ><5S+ 0 0 46 -4,-2.6 3,-1.4 1,-0.3 -1,-0.2 0.844 109.8 55.1 -61.8 -36.0 18.4 58.6 54.6 194 194 A A H 3<5S+ 0 0 82 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.713 106.6 52.9 -68.7 -20.7 22.2 57.8 54.8 195 195 A N T <<5S- 0 0 123 -3,-1.0 -1,-0.3 -4,-1.0 -2,-0.2 0.096 133.5 -85.8-106.5 18.8 22.8 60.8 52.6 196 196 A G T < 5S+ 0 0 71 -3,-1.4 -3,-0.2 1,-0.3 2,-0.2 0.465 81.4 134.8 101.5 5.9 20.9 63.2 54.8 197 197 A L < - 0 0 82 -5,-2.0 2,-0.4 -6,-0.1 -1,-0.3 -0.562 58.2-114.2 -89.9 152.4 17.2 62.9 53.8 198 198 A E >> - 0 0 147 -2,-0.2 4,-2.4 1,-0.1 3,-0.7 -0.713 26.6-132.0 -80.7 131.2 14.1 62.6 56.0 199 199 A A H 3> S+ 0 0 16 -2,-0.4 4,-2.7 1,-0.3 5,-0.2 0.870 103.6 49.4 -53.3 -44.7 12.6 59.2 55.4 200 200 A K H 3> S+ 0 0 136 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.797 110.5 50.1 -69.3 -30.2 9.0 60.6 54.9 201 201 A V H <> S+ 0 0 67 -3,-0.7 4,-2.1 2,-0.2 -1,-0.2 0.938 113.8 44.4 -70.9 -48.6 10.1 63.3 52.5 202 202 A L H X S+ 0 0 19 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.896 112.2 53.5 -59.4 -44.5 12.0 60.8 50.3 203 203 A A H X S+ 0 0 7 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.905 110.2 46.8 -55.7 -46.6 9.1 58.3 50.5 204 204 A E H X S+ 0 0 84 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.924 111.8 50.8 -65.7 -43.1 6.6 60.9 49.3 205 205 A I H < S+ 0 0 95 -4,-2.1 4,-0.3 1,-0.2 -2,-0.2 0.950 115.7 40.2 -59.8 -49.0 8.8 62.0 46.4 206 206 A X H >< S+ 0 0 37 -4,-2.4 3,-1.3 1,-0.2 5,-0.3 0.891 112.0 56.0 -70.5 -39.2 9.5 58.5 45.1 207 207 A R H 3< S+ 0 0 84 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.856 113.3 42.2 -59.2 -36.6 5.9 57.3 45.6 208 208 A R T 3< S+ 0 0 176 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.386 116.4 55.3 -93.9 3.1 4.6 60.2 43.5 209 209 A S S X S- 0 0 68 -3,-1.3 3,-2.4 -4,-0.3 -3,-0.1 -0.405 109.7 -66.0-123.6-165.4 7.4 59.9 40.8 210 210 A S T 3 S+ 0 0 134 1,-0.3 -4,-0.1 -2,-0.1 -3,-0.1 0.671 126.9 63.0 -67.9 -13.6 8.9 57.3 38.4 211 211 A G T 3 S+ 0 0 38 -5,-0.3 -1,-0.3 -6,-0.2 5,-0.1 0.500 80.4 133.8 -80.4 -0.2 10.1 55.3 41.4 212 212 A G < + 0 0 36 -3,-2.4 2,-0.3 -6,-0.3 -5,-0.2 -0.109 25.2 148.8 -59.7 140.0 6.5 54.8 42.4 213 213 A N > - 0 0 33 1,-0.1 4,-1.7 -32,-0.0 3,-0.3 -0.977 59.2 -88.4-161.9 170.2 5.3 51.3 43.4 214 214 A W H > S+ 0 0 125 -2,-0.3 4,-2.0 1,-0.2 5,-0.5 0.882 120.7 55.1 -53.4 -43.2 3.0 49.3 45.5 215 215 A A H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.899 110.4 46.6 -59.4 -41.3 5.4 49.1 48.5 216 216 A L H 4 S+ 0 0 4 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.772 114.0 48.8 -72.7 -26.4 5.5 52.9 48.5 217 217 A E H < S- 0 0 101 -4,-1.7 -1,-0.2 -3,-0.2 -2,-0.2 0.857 136.4 -3.0 -76.7 -34.5 1.8 53.3 48.2 218 218 A V H < S+ 0 0 82 -4,-2.0 -3,-0.2 -5,-0.2 -2,-0.2 0.416 130.8 40.5-145.3 -6.3 0.7 50.9 50.9 219 219 A Y < - 0 0 34 -4,-2.2 -3,-0.1 -5,-0.5 -2,-0.1 -0.267 61.1-176.2-157.9 55.4 3.6 49.1 52.6 220 220 A N - 0 0 1 -4,-0.2 11,-0.4 1,-0.1 6,-0.3 -0.399 18.2-149.3 -70.2 128.0 6.6 51.3 53.2 221 221 A P + 0 0 0 0, 0.0 -1,-0.1 0, 0.0 68,-0.1 0.567 69.5 95.2 -74.8 -5.8 9.6 49.3 54.7 222 222 A W S >> S- 0 0 32 -23,-0.1 3,-2.1 1,-0.1 4,-0.5 -0.759 84.4-113.0 -91.8 120.0 11.0 52.2 56.7 223 223 A P T 34 S+ 0 0 44 0, 0.0 9,-0.2 0, 0.0 4,-0.1 -0.211 98.7 16.1 -54.7 136.1 9.9 52.3 60.4 224 224 A G T 34 S+ 0 0 24 2,-0.3 3,-0.3 5,-0.2 8,-0.1 0.176 96.6 99.9 88.6 -16.6 7.7 55.3 61.2 225 225 A V T <4 S+ 0 0 25 -3,-2.1 2,-0.6 1,-0.3 3,-0.1 0.990 98.0 18.4 -68.5 -54.9 6.9 56.2 57.6 226 226 A X S >< S- 0 0 39 -4,-0.5 3,-1.6 -6,-0.3 6,-0.4 -0.961 74.6-155.8-112.8 116.5 3.5 54.5 57.6 227 227 A E T 3 S+ 0 0 145 -2,-0.6 -1,-0.1 -3,-0.3 -2,-0.1 0.796 92.1 50.8 -64.6 -26.1 2.3 54.0 61.1 228 228 A N T 3 S+ 0 0 135 -3,-0.1 -1,-0.3 -4,-0.1 5,-0.0 0.372 91.4 98.1 -89.2 2.3 -0.0 51.1 60.1 229 229 A A S X S- 0 0 3 -3,-1.6 3,-1.7 1,-0.1 4,-0.2 -0.554 88.5-110.1 -87.7 154.2 2.6 49.1 58.2 230 230 A P G > >S+ 0 0 5 0, 0.0 5,-2.5 0, 0.0 3,-1.8 0.809 114.0 68.0 -51.3 -31.4 4.6 46.2 59.7 231 231 A A G > 5S+ 0 0 3 -11,-0.4 3,-0.8 1,-0.3 -4,-0.1 0.786 94.8 56.1 -61.8 -26.8 7.8 48.4 59.7 232 232 A S G < 5S+ 0 0 30 -3,-1.7 -1,-0.3 -6,-0.4 -5,-0.1 0.422 109.7 45.2 -87.7 0.7 6.3 50.6 62.4 233 233 A R G X 5S- 0 0 108 -3,-1.8 3,-1.5 -4,-0.2 -1,-0.2 -0.244 128.1 -86.8-136.6 43.3 5.7 47.7 64.8 234 234 A D T < 5S- 0 0 108 -3,-0.8 -3,-0.2 1,-0.3 -2,-0.1 0.818 75.9 -68.7 62.5 33.8 9.0 45.9 64.5 235 235 A Y T 3 -I 284 0B 50 -2,-0.5 4,-2.1 44,-0.2 3,-0.4 -0.114 7.9-133.5 -58.3 140.2 6.3 36.3 56.6 241 241 A A H > S+ 0 0 0 42,-2.7 4,-2.6 39,-0.5 41,-0.2 0.828 108.7 59.9 -53.7 -36.7 9.7 36.5 55.0 242 242 A Q H > S+ 0 0 93 39,-2.3 4,-1.9 41,-0.3 -1,-0.2 0.905 105.4 47.4 -64.3 -40.2 9.7 32.7 54.9 243 243 A L H > S+ 0 0 52 -3,-0.4 4,-2.7 38,-0.3 -2,-0.2 0.879 110.4 51.1 -66.6 -43.0 6.6 32.7 52.8 244 244 A X H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -2,-0.2 0.916 109.9 51.1 -56.7 -42.6 8.0 35.3 50.4 245 245 A A H X S+ 0 0 7 -4,-2.6 4,-1.7 2,-0.2 -2,-0.2 0.884 110.1 50.1 -63.6 -38.1 11.2 33.1 50.1 246 246 A K H X S+ 0 0 66 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.963 110.6 48.5 -60.2 -54.7 8.9 30.1 49.3 247 247 A D H X S+ 0 0 3 -4,-2.7 4,-1.7 1,-0.3 -2,-0.2 0.858 110.8 50.6 -55.1 -42.2 7.1 32.1 46.6 248 248 A L H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.3 0.874 107.4 55.6 -64.3 -36.1 10.4 33.3 45.1 249 249 A G H X S+ 0 0 16 -4,-1.7 4,-1.3 1,-0.2 -2,-0.2 0.918 106.7 48.7 -65.2 -43.2 11.5 29.6 45.1 250 250 A L H X S+ 0 0 11 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.855 107.1 56.4 -60.0 -39.3 8.4 28.6 43.0 251 251 A A H X S+ 0 0 6 -4,-1.7 4,-2.3 1,-0.2 -2,-0.2 0.910 104.4 53.2 -61.7 -40.1 9.2 31.5 40.6 252 252 A Q H X S+ 0 0 53 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.838 106.2 53.1 -59.1 -36.3 12.7 29.9 40.1 253 253 A E H X S+ 0 0 104 -4,-1.3 4,-1.9 2,-0.2 -1,-0.2 0.910 109.4 47.9 -68.8 -40.2 11.1 26.6 39.3 254 254 A A H X S+ 0 0 25 -4,-2.0 4,-1.1 2,-0.2 -2,-0.2 0.862 111.3 51.9 -64.8 -37.6 8.9 28.3 36.6 255 255 A A H X>S+ 0 0 10 -4,-2.3 5,-1.9 1,-0.2 4,-1.1 0.908 108.8 48.9 -67.6 -40.3 12.0 30.1 35.3 256 256 A Q H <5S+ 0 0 157 -4,-2.5 3,-0.5 1,-0.2 -1,-0.2 0.909 108.4 55.9 -64.5 -37.7 14.0 26.8 35.0 257 257 A A H <5S+ 0 0 63 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.782 120.9 27.8 -66.5 -29.0 11.0 25.3 33.2 258 258 A S H <5S- 0 0 73 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.331 105.0-119.2-113.7 3.4 11.0 28.1 30.5 259 259 A A T <5 + 0 0 93 -4,-1.1 2,-0.3 -3,-0.5 -3,-0.2 0.832 56.2 164.0 58.2 34.1 14.7 29.0 30.6 260 260 A S < - 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0 0 11 -4,-1.6 3,-0.6 1,-0.1 -1,-0.1 -0.879 52.6-173.1-105.4 111.7 19.4 50.2 57.9 294 294 A P T 3 S+ 0 0 123 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.723 77.7 63.0 -75.4 -23.9 22.2 50.1 60.5 295 295 A T T 3 0 0 113 1,-0.1 -5,-0.0 0, 0.0 -2,-0.0 -0.060 360.0 360.0 -96.7 32.9 20.2 51.9 63.2 296 296 A Q < 0 0 80 -3,-0.6 -1,-0.1 -6,-0.2 -6,-0.0 0.930 360.0 360.0 -94.9 360.0 17.5 49.3 63.6