==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 25-AUG-11 3TK1 . COMPND 2 MOLECULE: MEMBRANE ATPASE/PROTEIN KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM THERMORESISTIBILE; . AUTHOR SEATTLE STRUCTURAL GENOMICS CENTER FOR INFECTIOUS DISEASE (S . 612 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26887.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 464 75.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 61 10.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 29 4.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 58 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 276 45.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 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 2 0 0 0 1 3 1 1 0 4 2 1 3 2 0 0 0 0 0 0 0 2 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 3 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 PARALLEL BRIDGES PER LADDER . 0 0 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 0 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 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 4 A T >> 0 0 135 0, 0.0 4,-2.5 0, 0.0 3,-0.9 0.000 360.0 360.0 360.0 139.6 -14.9 33.9 -36.5 2 5 A V H 3> + 0 0 38 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.819 360.0 48.4 -51.5 -41.5 -16.8 30.7 -35.4 3 6 A K H 3> S+ 0 0 67 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.820 111.1 51.2 -71.3 -29.5 -17.7 29.7 -39.0 4 7 A D H <> S+ 0 0 109 -3,-0.9 4,-2.6 2,-0.2 -2,-0.2 0.909 110.4 49.0 -70.4 -41.5 -14.0 30.3 -40.1 5 8 A L H X S+ 0 0 41 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.908 108.8 53.3 -63.7 -41.6 -12.8 28.1 -37.3 6 9 A A H X S+ 0 0 2 -4,-2.2 4,-2.2 -5,-0.2 3,-0.2 0.968 111.8 45.4 -53.0 -55.9 -15.4 25.4 -38.3 7 10 A A H X S+ 0 0 52 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.844 111.3 52.3 -58.4 -40.6 -14.0 25.6 -41.9 8 11 A A H X>S+ 0 0 26 -4,-2.6 5,-2.0 2,-0.2 4,-0.5 0.863 109.7 49.3 -65.2 -38.0 -10.3 25.5 -40.6 9 12 A I H ><5S+ 0 0 3 -4,-2.5 3,-0.8 -3,-0.2 -2,-0.2 0.922 112.0 49.0 -65.0 -44.2 -11.0 22.4 -38.5 10 13 A R H 3<5S+ 0 0 107 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.821 111.1 48.9 -66.7 -32.8 -12.7 20.7 -41.5 11 14 A S H 3<5S- 0 0 95 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.463 113.1-116.3 -90.1 -1.5 -9.8 21.4 -43.9 12 15 A G T <<5 + 0 0 49 -3,-0.8 -3,-0.2 -4,-0.5 2,-0.1 0.687 44.3 178.2 82.1 21.4 -7.2 20.2 -41.4 13 16 A D >>< - 0 0 49 -5,-2.0 3,-1.9 -6,-0.2 4,-0.6 -0.379 36.1-121.0 -62.5 129.6 -5.3 23.5 -40.8 14 17 A R T 34 S+ 0 0 99 1,-0.3 3,-0.2 2,-0.1 -1,-0.1 0.778 104.0 37.5 -41.6 -49.4 -2.6 22.8 -38.3 15 18 A A T 3> S+ 0 0 74 1,-0.2 4,-1.2 2,-0.1 -1,-0.3 0.477 95.8 80.5 -89.7 -5.7 -3.7 25.3 -35.6 16 19 A A H <> S+ 0 0 7 -3,-1.9 4,-2.8 -8,-0.2 -7,-0.2 0.920 89.7 48.9 -76.9 -42.1 -7.5 25.0 -35.7 17 20 A L H X S+ 0 0 37 -4,-0.6 4,-2.9 1,-0.2 5,-0.2 0.945 110.7 50.6 -63.4 -48.6 -8.2 21.9 -33.7 18 21 A P H > S+ 0 0 72 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.849 113.8 45.2 -55.6 -38.5 -5.9 23.0 -30.7 19 22 A R H X S+ 0 0 50 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.936 111.9 51.8 -72.3 -46.8 -7.6 26.4 -30.5 20 23 A A H X S+ 0 0 0 -4,-2.8 4,-1.8 2,-0.2 5,-0.2 0.920 112.5 47.7 -48.8 -45.2 -11.0 24.7 -30.8 21 24 A I H X S+ 0 0 34 -4,-2.9 4,-1.9 2,-0.2 -2,-0.2 0.942 110.1 49.4 -66.3 -49.8 -9.9 22.4 -27.9 22 25 A T H < S+ 0 0 97 -4,-2.6 4,-0.5 1,-0.2 -1,-0.2 0.918 110.4 53.9 -55.1 -41.2 -8.6 25.3 -25.7 23 26 A L H >< S+ 0 0 39 -4,-2.9 3,-0.9 1,-0.2 12,-0.2 0.900 109.5 44.9 -60.6 -43.2 -12.0 27.0 -26.4 24 27 A V H 3< S+ 0 0 13 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.765 111.3 55.8 -74.3 -24.3 -14.1 24.0 -25.2 25 28 A E T 3< S+ 0 0 40 -4,-1.9 -1,-0.2 -5,-0.2 2,-0.2 0.496 82.2 120.8 -82.5 -4.4 -11.7 23.7 -22.2 26 29 A S < - 0 0 34 -3,-0.9 -3,-0.0 -4,-0.5 9,-0.0 -0.439 44.7-169.8 -68.9 131.6 -12.4 27.3 -21.2 27 30 A T + 0 0 124 -2,-0.2 -1,-0.2 4,-0.0 2,-0.1 0.752 61.4 102.9 -83.1 -28.8 -13.8 27.9 -17.7 28 31 A R S > S- 0 0 49 1,-0.1 4,-1.4 3,-0.0 3,-0.4 -0.321 76.3-131.1 -63.0 134.9 -14.4 31.6 -18.6 29 32 A A H > S+ 0 0 87 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.789 100.0 58.0 -59.4 -37.7 -18.0 32.5 -19.4 30 33 A D H > S+ 0 0 76 1,-0.2 4,-1.3 2,-0.2 3,-0.4 0.921 108.0 45.9 -61.8 -44.5 -17.4 34.4 -22.7 31 34 A H H > S+ 0 0 92 -3,-0.4 4,-3.1 1,-0.2 -1,-0.2 0.790 102.8 65.6 -70.8 -30.9 -15.6 31.4 -24.4 32 35 A R H X S+ 0 0 43 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.892 101.7 49.2 -57.1 -39.6 -18.3 29.1 -23.2 33 36 A E H X S+ 0 0 55 -4,-1.2 4,-1.7 -3,-0.4 -2,-0.2 0.932 113.8 44.5 -68.1 -43.5 -20.9 30.9 -25.5 34 37 A R H X S+ 0 0 30 -4,-1.3 4,-2.9 1,-0.2 5,-0.2 0.909 107.3 59.7 -66.8 -43.4 -18.6 30.8 -28.5 35 38 A A H X S+ 0 0 3 -4,-3.1 4,-2.1 -12,-0.2 -1,-0.2 0.913 108.0 46.4 -49.3 -43.5 -17.7 27.1 -27.8 36 39 A Q H X S+ 0 0 9 -4,-1.5 4,-2.6 2,-0.2 -1,-0.2 0.863 108.5 53.3 -75.5 -33.2 -21.4 26.2 -28.2 37 40 A E H X S+ 0 0 115 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.941 110.1 49.9 -63.1 -44.6 -21.9 28.3 -31.3 38 41 A L H X S+ 0 0 1 -4,-2.9 4,-2.0 2,-0.2 -2,-0.2 0.921 110.5 49.2 -54.4 -48.4 -18.9 26.4 -32.8 39 42 A L H X S+ 0 0 4 -4,-2.1 4,-0.8 2,-0.2 -2,-0.2 0.901 109.2 51.7 -64.4 -41.7 -20.5 23.0 -31.8 40 43 A L H >< S+ 0 0 73 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.923 110.5 49.5 -55.4 -46.3 -23.8 24.0 -33.3 41 44 A E H 3< S+ 0 0 39 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.851 112.8 47.7 -62.8 -33.0 -21.9 24.9 -36.5 42 45 A L H >X S+ 0 0 0 -4,-2.0 3,-2.5 1,-0.2 4,-0.8 0.493 79.8 106.1 -89.2 -1.2 -20.2 21.4 -36.3 43 46 A M G X< + 0 0 37 -3,-1.0 3,-1.1 -4,-0.8 -1,-0.2 0.823 67.8 64.7 -45.8 -47.5 -23.4 19.4 -35.7 44 47 A P G 34 S+ 0 0 106 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.692 107.8 46.1 -53.6 -18.8 -23.7 17.9 -39.2 45 48 A D G X4 S+ 0 0 15 -3,-2.5 3,-2.2 2,-0.1 4,-0.2 0.669 82.3 113.1 -94.1 -24.5 -20.4 16.1 -38.3 46 49 A A T << S+ 0 0 42 -3,-1.1 66,-0.1 -4,-0.8 67,-0.0 -0.306 83.6 22.4 -51.9 124.6 -21.3 14.9 -34.7 47 50 A G T 3 S+ 0 0 24 64,-0.1 -1,-0.3 3,-0.0 4,-0.1 0.299 80.7 118.8 101.9 -7.6 -21.5 11.1 -34.9 48 51 A R < + 0 0 162 -3,-2.2 2,-0.2 64,-0.1 -2,-0.1 0.745 67.5 67.2 -65.7 -23.1 -19.2 10.5 -37.9 49 52 A A S S- 0 0 0 -4,-0.2 72,-0.3 62,-0.1 2,-0.2 -0.650 88.4-112.1 -95.0 154.6 -16.8 8.4 -35.8 50 53 A M E -a 121 0A 22 70,-2.7 72,-2.6 -2,-0.2 2,-0.5 -0.601 30.9-145.3 -70.3 145.5 -17.2 5.1 -34.0 51 54 A H E +a 122 0A 17 -2,-0.2 90,-2.9 70,-0.2 91,-1.2 -0.973 22.9 175.4-121.6 112.1 -17.1 5.7 -30.3 52 55 A V E -ab 123 142A 2 70,-2.4 72,-2.7 -2,-0.5 2,-0.3 -0.975 17.2-150.1-128.1 123.2 -15.5 2.8 -28.4 53 56 A G E -ab 124 143A 0 89,-2.8 91,-2.9 -2,-0.5 2,-0.4 -0.660 10.9-170.6 -93.1 143.2 -14.9 2.8 -24.6 54 57 A I E +ab 125 144A 2 70,-2.9 72,-1.3 -2,-0.3 2,-0.3 -0.980 13.1 163.7-137.5 122.3 -11.9 0.9 -23.1 55 58 A T E + b 0 145A 2 89,-2.4 91,-2.8 -2,-0.4 2,-0.2 -0.869 7.8 133.8-136.7 167.6 -11.4 0.3 -19.4 56 59 A G - 0 0 5 -2,-0.3 91,-0.1 89,-0.2 72,-0.1 -0.743 55.8 -75.6 159.3 152.5 -9.5 -1.8 -16.9 57 60 A V > - 0 0 50 89,-0.4 3,-2.1 100,-0.4 5,-0.2 -0.367 64.7 -82.1 -69.1 147.9 -7.4 -1.4 -13.8 58 61 A P T 3 S+ 0 0 83 0, 0.0 -1,-0.1 0, 0.0 69,-0.0 -0.192 119.2 30.4 -44.0 134.7 -3.9 0.0 -14.0 59 62 A G T 3 S+ 0 0 58 -3,-0.1 -2,-0.1 0, 0.0 0, 0.0 0.222 86.6 107.6 94.7 -11.3 -1.4 -2.7 -15.0 60 63 A V S < S- 0 0 3 -3,-2.1 112,-0.1 86,-0.1 87,-0.1 0.725 98.6 -98.5 -72.7 -19.7 -4.0 -4.7 -17.0 61 64 A G S > S+ 0 0 15 -4,-0.2 4,-2.2 -5,-0.1 5,-0.2 0.614 73.2 143.9 110.3 22.8 -2.4 -3.7 -20.4 62 65 A K H > S+ 0 0 27 -5,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 71.8 45.1 -63.1 -44.2 -4.7 -0.8 -21.5 63 66 A S H > S+ 0 0 66 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 114.9 47.8 -69.3 -45.6 -2.0 1.4 -23.1 64 67 A T H > S+ 0 0 59 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.867 112.7 51.0 -59.4 -37.2 -0.4 -1.4 -25.0 65 68 A S H X S+ 0 0 2 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.927 110.5 46.6 -66.8 -46.9 -3.9 -2.6 -26.1 66 69 A I H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 -2,-0.2 0.860 112.2 52.4 -63.9 -37.4 -4.9 0.8 -27.4 67 70 A E H X S+ 0 0 101 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.954 110.8 45.9 -63.6 -49.4 -1.6 1.1 -29.2 68 71 A A H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.964 115.9 46.1 -63.1 -47.3 -2.0 -2.2 -30.9 69 72 A L H X S+ 0 0 2 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.937 113.4 50.9 -56.8 -46.8 -5.6 -1.4 -31.9 70 73 A G H X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.915 110.7 46.0 -59.1 -45.0 -4.5 2.1 -33.0 71 74 A M H X S+ 0 0 65 -4,-2.8 4,-2.1 1,-0.2 -1,-0.2 0.867 112.3 52.6 -67.9 -36.8 -1.7 0.8 -35.2 72 75 A H H X S+ 0 0 54 -4,-2.3 4,-1.0 -5,-0.3 -2,-0.2 0.923 111.2 46.2 -62.5 -44.9 -4.0 -1.9 -36.7 73 76 A L H <>S+ 0 0 0 -4,-2.6 5,-2.7 1,-0.2 -2,-0.2 0.819 111.1 51.5 -70.5 -32.2 -6.7 0.7 -37.6 74 77 A I H ><5S+ 0 0 31 -4,-1.8 3,-3.1 3,-0.2 -1,-0.2 0.919 103.0 58.4 -71.5 -40.0 -4.2 3.1 -39.1 75 78 A E H 3<5S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.838 106.2 51.6 -57.5 -29.4 -2.7 0.3 -41.3 76 79 A Q T 3<5S- 0 0 98 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.263 128.3-101.5 -86.7 5.9 -6.3 -0.0 -42.7 77 80 A G T < 5S+ 0 0 66 -3,-3.1 -3,-0.2 1,-0.2 -2,-0.1 0.546 74.6 138.8 85.2 9.3 -6.5 3.8 -43.4 78 81 A H < - 0 0 58 -5,-2.7 2,-0.5 -6,-0.1 -1,-0.2 -0.407 50.3-131.4 -79.0 165.9 -8.5 4.9 -40.4 79 82 A R - 0 0 94 39,-0.1 42,-1.5 -2,-0.1 41,-1.1 -0.967 31.1-161.5-124.3 113.6 -7.8 8.1 -38.5 80 83 A V E -c 121 0A 1 -2,-0.5 12,-2.8 8,-0.2 2,-0.3 -0.802 19.3-177.4-116.3 133.6 -7.7 7.4 -34.7 81 84 A A E -cd 122 92A 2 40,-2.1 42,-2.7 -2,-0.4 2,-0.4 -0.938 9.9-160.4-118.1 142.5 -8.0 9.5 -31.5 82 85 A V E -cd 123 93A 0 10,-2.2 12,-2.7 -2,-0.3 2,-0.5 -0.996 10.8-164.3-121.3 118.2 -7.7 8.1 -28.0 83 86 A L E -cd 124 94A 1 40,-3.2 42,-2.8 -2,-0.4 2,-0.4 -0.936 5.4-152.9-104.6 125.6 -9.3 10.4 -25.4 84 87 A A E c 125 0A 19 10,-2.2 12,-0.4 -2,-0.5 42,-0.2 -0.835 360.0 360.0 -97.6 135.9 -8.4 9.7 -21.8 85 88 A V 0 0 26 40,-2.3 42,-1.0 -2,-0.4 12,-0.1 -0.750 360.0 360.0 -99.2 360.0 -10.9 10.9 -19.2 86 ! 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 87 102 A D > 0 0 163 0, 0.0 3,-2.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 92.8 -0.1 13.2 -39.0 88 103 A K T 3 + 0 0 68 1,-0.3 -8,-0.2 -9,-0.1 -11,-0.1 0.688 360.0 62.9 -58.1 -20.2 -2.6 10.7 -40.4 89 104 A T T 3 S+ 0 0 76 -10,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.422 100.5 60.0 -87.3 0.1 0.2 8.0 -40.0 90 105 A R S < S- 0 0 55 -3,-2.3 2,-0.3 -16,-0.0 -10,-0.2 -0.955 87.9-110.9-128.2 148.4 0.2 8.4 -36.1 91 106 A M - 0 0 34 -2,-0.3 2,-0.5 -12,-0.1 -10,-0.2 -0.573 30.0-125.1 -75.7 133.2 -2.6 8.0 -33.5 92 107 A A E -d 81 0A 32 -12,-2.8 -10,-2.2 -2,-0.3 2,-0.5 -0.707 26.3-167.8 -80.6 127.0 -3.9 11.1 -31.8 93 108 A R E +d 82 0A 101 -2,-0.5 2,-0.3 -12,-0.2 -10,-0.2 -0.945 17.4 161.2-123.8 112.6 -3.6 10.8 -28.0 94 109 A L E -d 83 0A 34 -12,-2.7 -10,-2.2 -2,-0.5 2,-0.2 -0.784 28.4-170.3-132.9 161.3 -5.4 13.4 -26.0 95 110 A A - 0 0 47 -2,-0.3 2,-0.2 -12,-0.2 -10,-0.1 -0.720 21.0-158.4-154.8 104.7 -6.7 14.1 -22.5 96 111 A V + 0 0 4 -12,-0.4 11,-0.2 -2,-0.2 10,-0.1 -0.596 16.5 165.5 -95.5 147.6 -8.9 17.2 -22.1 97 112 A H 0 0 108 -2,-0.2 6,-0.1 9,-0.1 -2,-0.1 -0.974 360.0 360.0-149.2 154.9 -9.7 19.2 -18.9 98 113 A P 0 0 85 0, 0.0 -72,-0.2 0, 0.0 -73,-0.1 -0.459 360.0 360.0 -66.2 360.0 -11.2 22.6 -18.1 99 ! 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 0.0 100 126 A L > 0 0 108 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -53.8 -15.2 14.1 -13.5 101 127 A G H > + 0 0 32 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.899 360.0 46.1 -51.3 -47.5 -18.3 16.1 -14.6 102 128 A G H > S+ 0 0 37 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.830 114.6 46.5 -67.4 -35.4 -16.0 18.8 -16.1 103 129 A V H > S+ 0 0 31 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.902 111.4 51.7 -73.7 -42.9 -13.7 16.3 -17.8 104 130 A A H X S+ 0 0 0 -4,-3.4 4,-3.2 2,-0.2 5,-0.2 0.933 110.3 49.2 -56.1 -50.5 -16.6 14.3 -19.2 105 131 A K H X S+ 0 0 66 -4,-2.2 4,-2.1 -5,-0.2 5,-0.2 0.941 113.2 46.4 -54.1 -50.8 -18.2 17.4 -20.6 106 132 A A H X S+ 0 0 3 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.906 114.1 48.6 -61.5 -43.0 -14.8 18.4 -22.2 107 133 A T H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.959 109.4 50.9 -63.9 -49.4 -14.3 15.0 -23.6 108 134 A R H X S+ 0 0 24 -4,-3.2 4,-0.9 1,-0.2 -1,-0.2 0.889 113.9 45.6 -55.7 -41.5 -17.8 14.6 -25.1 109 135 A E H >X S+ 0 0 13 -4,-2.1 4,-1.5 -5,-0.2 3,-0.8 0.922 108.2 55.3 -71.5 -42.0 -17.4 17.9 -26.9 110 136 A T H 3X S+ 0 0 0 -4,-2.5 4,-2.9 1,-0.3 5,-0.2 0.826 96.7 66.2 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D H X S+ 0 0 37 -4,-3.0 4,-3.0 1,-0.2 -1,-0.2 0.879 107.4 53.5 -59.1 -44.4 -24.0 5.7 6.8 563 271 B Q H X S+ 0 0 32 -4,-2.4 4,-2.6 1,-0.2 -1,-0.2 0.869 107.3 52.7 -60.2 -36.4 -27.3 4.6 5.2 564 272 B E H X S+ 0 0 62 -4,-1.7 4,-2.0 2,-0.2 -1,-0.2 0.932 111.1 44.1 -69.6 -42.5 -29.1 7.2 7.3 565 273 B V H X S+ 0 0 6 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.921 114.1 51.3 -68.8 -42.7 -26.8 10.1 6.1 566 274 B N H X S+ 0 0 96 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.921 108.6 51.7 -59.1 -41.7 -27.0 8.8 2.5 567 275 B W H X S+ 0 0 30 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.906 106.7 53.8 -62.3 -40.5 -30.8 8.8 2.8 568 276 B M H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.924 110.5 46.3 -58.0 -47.7 -30.7 12.4 4.0 569 277 B W H X S+ 0 0 13 -4,-2.3 4,-3.6 2,-0.2 5,-0.2 0.886 107.6 56.4 -64.5 -40.4 -28.8 13.4 1.0 570 278 B T H X S+ 0 0 38 -4,-2.4 4,-3.0 1,-0.2 -1,-0.2 0.921 108.3 48.2 -58.8 -42.7 -31.0 11.5 -1.3 571 279 B M H X S+ 0 0 24 -4,-2.2 4,-2.5 2,-0.2 -1,-0.2 0.891 113.2 48.0 -62.7 -40.0 -34.0 13.5 0.0 572 280 B V H X S+ 0 0 3 -4,-1.9 4,-1.8 2,-0.2 5,-0.2 0.962 114.9 45.2 -64.9 -48.1 -32.0 16.7 -0.4 573 281 B R H X S+ 0 0 84 -4,-3.6 4,-2.3 1,-0.2 5,-0.2 0.917 114.0 49.8 -60.0 -44.7 -31.0 15.8 -4.0 574 282 B D H X S+ 0 0 33 -4,-3.0 4,-3.0 -5,-0.2 5,-0.2 0.922 107.5 53.2 -63.0 -46.0 -34.6 14.7 -4.8 575 283 B A H X S+ 0 0 41 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.891 113.2 42.5 -58.9 -40.5 -36.2 17.8 -3.5 576 284 B V H X S+ 0 0 21 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.884 114.1 49.8 -78.2 -36.2 -34.1 20.2 -5.6 577 285 B I H X S+ 0 0 12 -4,-2.3 4,-3.0 -5,-0.2 5,-0.2 0.954 113.4 48.1 -63.1 -46.2 -34.3 18.1 -8.7 578 286 B D H X S+ 0 0 34 -4,-3.0 4,-2.5 -5,-0.2 -2,-0.2 0.905 106.2 57.1 -59.1 -40.8 -38.0 18.0 -8.3 579 287 B R H < S+ 0 0 57 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.894 113.5 40.7 -58.5 -40.5 -38.2 21.7 -7.7 580 288 B V H >< S+ 0 0 3 -4,-1.8 3,-1.7 -3,-0.2 6,-0.3 0.961 115.5 48.6 -68.7 -54.1 -36.5 22.2 -11.1 581 289 B M H 3< S+ 0 0 24 -4,-3.0 -2,-0.2 1,-0.3 -3,-0.2 0.796 113.4 45.3 -67.1 -28.7 -38.4 19.5 -13.0 582 290 B T T 3< S+ 0 0 88 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.327 86.3 126.2 -92.3 7.2 -41.9 20.6 -11.9 583 291 B S <> - 0 0 14 -3,-1.7 4,-3.1 -5,-0.2 5,-0.2 -0.375 68.2-127.4 -63.7 142.7 -41.1 24.2 -12.5 584 292 B P H > S+ 0 0 107 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.950 108.6 50.5 -55.7 -49.5 -43.5 26.0 -14.8 585 293 B G H > S+ 0 0 16 29,-0.5 4,-1.8 1,-0.2 30,-0.2 0.883 115.2 42.7 -57.5 -40.0 -40.8 27.3 -17.2 586 294 B V H > S+ 0 0 0 -6,-0.3 4,-2.7 28,-0.3 -1,-0.2 0.937 111.7 53.3 -74.1 -45.2 -39.3 23.8 -17.5 587 295 B R H < S+ 0 0 72 -4,-3.1 4,-0.4 1,-0.2 -2,-0.2 0.878 112.4 48.8 -53.8 -36.4 -42.8 22.1 -17.8 588 296 B E H < S+ 0 0 161 -4,-2.6 4,-0.2 -5,-0.2 -1,-0.2 0.905 123.0 25.9 -71.0 -44.4 -43.5 24.6 -20.7 589 297 B I H X S+ 0 0 38 -4,-1.8 4,-2.2 -5,-0.2 3,-0.3 0.603 92.3 96.1-104.4 -13.9 -40.2 24.2 -22.8 590 298 B R H X S+ 0 0 88 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.884 83.9 48.8 -40.7 -60.9 -39.0 20.6 -21.9 591 299 B A H > S+ 0 0 79 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.908 114.5 45.4 -55.4 -44.8 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26.9-119.0 -79.8 161.5 -26.2 21.2 -28.0 604 312 B A H > S+ 0 0 1 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.870 113.4 57.0 -63.7 -38.0 -26.8 19.5 -24.7 605 313 B A H > S+ 0 0 14 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.906 110.8 40.4 -63.0 -45.7 -24.9 22.2 -22.9 606 314 B L H > S+ 0 0 56 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.885 113.7 53.7 -70.9 -41.7 -27.2 25.0 -24.2 607 315 B A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.930 110.5 48.4 -56.0 -47.5 -30.3 23.0 -23.7 608 316 B A H X S+ 0 0 5 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.939 111.6 48.8 -58.6 -47.7 -29.2 22.4 -20.1 609 317 B Q H X S+ 0 0 96 -4,-2.2 4,-3.0 1,-0.2 -1,-0.2 0.913 110.2 51.9 -60.0 -42.5 -28.5 26.1 -19.6 610 318 B R H X S+ 0 0 115 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.865 110.3 48.2 -66.3 -34.3 -31.9 26.9 -21.0 611 319 B L H X S+ 0 0 0 -4,-2.1 4,-1.0 2,-0.2 -1,-0.2 0.890 112.2 48.4 -72.6 -38.2 -33.6 24.5 -18.7 612 320 B L H >X S+ 0 0 38 -4,-2.5 4,-0.7 2,-0.2 3,-0.7 0.936 111.9 51.0 -64.6 -42.2 -31.8 25.9 -15.7 613 321 B D H >< S+ 0 0 108 -4,-3.0 3,-1.1 1,-0.2 -2,-0.2 0.933 109.9 49.0 -57.2 -49.0 -32.7 29.4 -16.8 614 322 B A H 3< S+ 0 0 29 -4,-2.2 -29,-0.5 1,-0.2 -28,-0.3 0.667 100.6 66.0 -69.2 -18.1 -36.4 28.5 -17.1 615 323 B A H << S- 0 0 6 -4,-1.0 -1,-0.2 -3,-0.7 -2,-0.2 0.691 80.7-156.4 -77.7 -20.4 -36.5 26.9 -13.6 616 324 B E << + 0 0 85 -3,-1.1 2,-0.8 -4,-0.7 -3,-0.1 0.739 31.5 160.2 46.5 22.7 -35.9 30.2 -11.8 617 325 B L 0 0 61 -5,-0.5 -1,-0.2 1,-0.2 -2,-0.1 -0.725 360.0 360.0 -69.3 109.1 -34.6 28.0 -8.9 618 326 B R 0 0 229 -2,-0.8 -1,-0.2 -3,-0.1 -322,-0.1 0.971 360.0 360.0 -87.6 360.0 -32.6 30.9 -7.4