==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-DEC-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/DNA 11-DEC-11 4ABT . COMPND 2 MOLECULE: TYPE-2 RESTRICTION ENZYME NGOMIV; . SOURCE 2 ORGANISM_SCIENTIFIC: NEISSERIA GONORRHOEAE; . AUTHOR E.N.MANAKOVA,S.GRAZULIS,M.ZAREMBA,G.TAMULAITIENE,D.GOLOVENKO . 572 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23665.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 404 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 31 5.4 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 . 2 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 . 29 5.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.7 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 4 0 1 1 2 0 1 3 4 2 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 2 2 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 PARALLEL BRIDGES PER LADDER . 2 0 0 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 2 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 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 M 0 0 156 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 159.1 13.3 53.2 52.7 2 2 A Q - 0 0 112 1,-0.1 443,-0.1 2,-0.1 445,-0.0 -0.514 360.0 -85.8 -70.7 157.3 16.3 55.4 53.6 3 3 A P >> - 0 0 0 0, 0.0 4,-2.0 0, 0.0 3,-0.5 -0.324 45.4-111.7 -56.5 152.8 16.1 57.2 56.9 4 4 A L H 3> S+ 0 0 32 441,-3.0 4,-2.4 1,-0.2 442,-0.2 0.856 115.6 54.6 -65.3 -35.0 14.2 60.4 56.4 5 5 A F H 3> S+ 0 0 0 441,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.816 106.5 52.5 -68.1 -27.8 17.2 62.7 57.0 6 6 A T H <> S+ 0 0 27 -3,-0.5 4,-2.1 440,-0.4 -2,-0.2 0.925 110.3 48.1 -71.2 -45.0 19.1 60.8 54.4 7 7 A Q H X S+ 0 0 80 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.894 111.7 50.1 -56.8 -41.1 16.2 61.4 51.9 8 8 A E H X S+ 0 0 31 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.924 108.5 52.8 -66.3 -37.4 16.2 65.1 53.0 9 9 A R H X S+ 0 0 20 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.921 110.1 47.2 -66.0 -43.6 19.9 65.3 52.4 10 10 A R H X S+ 0 0 93 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.830 109.4 53.8 -65.4 -36.6 19.5 63.9 48.8 11 11 A I H X S+ 0 0 78 -4,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.861 108.2 50.9 -63.5 -33.0 16.7 66.3 48.1 12 12 A F H X S+ 0 0 2 -4,-1.9 4,-1.4 2,-0.2 3,-0.3 0.968 112.4 46.1 -70.6 -51.6 19.0 69.2 49.2 13 13 A H H X S+ 0 0 3 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.915 111.2 51.6 -53.8 -45.9 21.7 68.0 46.8 14 14 A K H X S+ 0 0 98 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.814 104.0 57.9 -68.7 -25.1 19.2 67.5 43.9 15 15 A K H X S+ 0 0 70 -4,-1.5 4,-1.8 -3,-0.3 6,-0.3 0.895 108.3 46.8 -66.8 -37.0 17.9 71.0 44.3 16 16 A L H <>S+ 0 0 0 -4,-1.4 6,-2.7 -3,-0.3 5,-1.0 0.864 118.6 40.2 -71.1 -40.7 21.5 72.3 43.8 17 17 A L H ><5S+ 0 0 10 -4,-2.1 3,-1.3 4,-0.2 -2,-0.2 0.951 119.7 44.2 -69.7 -49.0 22.1 70.0 40.7 18 18 A D H 3<5S+ 0 0 111 -4,-2.6 -3,-0.2 1,-0.3 -2,-0.2 0.863 112.2 52.7 -65.6 -38.8 18.7 70.5 39.2 19 19 A G T 3<5S- 0 0 44 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.375 111.6-118.9 -80.2 6.8 18.6 74.2 39.8 20 20 A N T < 5S+ 0 0 51 -3,-1.3 40,-0.3 2,-0.2 -3,-0.2 0.564 83.9 118.1 61.4 15.8 22.0 74.6 38.0 21 21 A I S - 0 0 27 4,-2.0 3,-1.9 -2,-0.4 33,-0.1 -0.247 41.1 -85.8 -84.8-178.0 31.1 74.5 32.9 26 26 A N T 3 S+ 0 0 127 1,-0.3 -1,-0.1 2,-0.1 32,-0.1 0.649 127.0 58.2 -66.6 -13.6 32.5 73.7 29.4 27 27 A R T 3 S- 0 0 170 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.347 119.2-104.6 -92.7 0.9 36.1 73.9 30.8 28 28 A G S < S+ 0 0 24 -3,-1.9 2,-0.7 1,-0.3 -2,-0.1 0.508 74.1 141.9 88.4 5.8 35.5 71.2 33.5 29 29 A V - 0 0 8 2,-0.0 -4,-2.0 4,-0.0 -1,-0.3 -0.734 48.0-137.7 -85.4 115.5 35.3 73.7 36.4 30 30 A V B > -A 24 0A 0 -2,-0.7 3,-2.0 11,-0.3 -6,-0.2 -0.489 24.4-116.5 -70.7 142.1 32.7 72.7 39.0 31 31 A S T 3 S+ 0 0 8 -8,-2.8 -1,-0.1 1,-0.3 -7,-0.1 0.515 111.1 50.6 -74.8 -6.7 30.7 75.8 40.0 32 32 A N T 3 S+ 0 0 1 -9,-0.2 -1,-0.3 8,-0.1 2,-0.1 0.361 96.8 99.8 -99.7 5.6 31.7 76.0 43.7 33 33 A A S < S- 0 0 1 -3,-2.0 2,-0.8 189,-0.1 8,-0.1 -0.469 78.1-127.2 -85.6 159.3 35.3 75.7 42.7 34 34 A D > - 0 0 23 3,-0.2 3,-2.2 -2,-0.1 7,-0.3 -0.942 27.1-155.7 -97.8 103.8 37.9 78.4 42.4 35 35 A G T 3 S+ 0 0 28 -2,-0.8 -1,-0.1 1,-0.3 6,-0.1 0.689 84.4 64.0 -61.6 -19.1 38.9 77.5 38.8 36 36 A S T 3 S+ 0 0 112 1,-0.1 2,-0.6 -3,-0.0 -1,-0.3 0.574 93.6 72.7 -83.3 -6.4 42.4 79.1 39.1 37 37 A N <> - 0 0 68 -3,-2.2 4,-2.7 1,-0.1 5,-0.2 -0.917 67.5-152.1-117.8 120.5 43.4 76.6 41.8 38 38 A T H > S+ 0 0 98 -2,-0.6 4,-2.8 1,-0.2 5,-0.2 0.898 95.6 48.2 -57.9 -44.3 44.2 72.9 41.1 39 39 A R H > S+ 0 0 134 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.918 114.2 45.1 -65.7 -46.0 43.3 71.6 44.5 40 40 A S H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.879 114.3 51.7 -63.2 -37.8 39.9 73.4 44.7 41 41 A F H X S+ 0 0 54 -4,-2.7 4,-2.0 -7,-0.3 -11,-0.3 0.956 114.5 41.4 -58.6 -52.0 39.2 72.4 41.1 42 42 A N H X S+ 0 0 50 -4,-2.8 4,-2.3 -5,-0.2 -2,-0.2 0.872 115.1 49.2 -67.7 -41.0 40.0 68.7 41.9 43 43 A I H X S+ 0 0 2 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.905 113.7 47.0 -67.5 -41.3 38.1 68.6 45.3 44 44 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.885 112.2 48.8 -67.4 -40.8 35.0 70.2 43.8 45 45 A K H X S+ 0 0 82 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.942 110.8 52.2 -64.6 -42.9 35.0 67.9 40.8 46 46 A G H X S+ 0 0 8 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.865 110.2 47.6 -59.4 -43.0 35.4 64.9 43.1 47 47 A I H X S+ 0 0 1 -4,-2.0 4,-1.4 2,-0.2 -1,-0.2 0.933 111.0 51.3 -64.3 -45.3 32.4 66.2 45.2 48 48 A A H <>S+ 0 0 1 -4,-2.7 5,-3.3 1,-0.2 4,-0.3 0.880 108.5 52.3 -60.8 -36.5 30.2 66.7 42.1 49 49 A D H ><5S+ 0 0 81 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.924 108.8 48.6 -64.4 -45.6 31.1 63.1 40.9 50 50 A L H 3<5S+ 0 0 59 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.663 112.1 50.2 -67.7 -21.0 30.0 61.6 44.2 51 51 A L T 3<5S- 0 0 1 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.420 115.6-119.9 -90.4 -4.2 26.7 63.7 44.0 52 52 A H T < 5 - 0 0 129 -3,-1.1 2,-0.3 -4,-0.3 -3,-0.2 0.891 42.7-176.4 65.9 41.7 26.2 62.4 40.5 53 53 A S < + 0 0 18 -5,-3.3 -1,-0.2 1,-0.2 -30,-0.1 -0.577 14.3 164.3 -74.3 131.5 26.3 65.8 39.0 54 54 A E + 0 0 173 -2,-0.3 -1,-0.2 2,-0.0 2,-0.1 0.572 31.8 109.0-123.5 -20.8 25.7 65.6 35.3 55 55 A T - 0 0 49 -33,-0.2 -31,-1.8 -38,-0.1 2,-0.5 -0.348 47.1-156.8 -74.2 142.5 24.8 69.1 34.0 56 56 A V B +b 24 0A 103 -33,-0.2 2,-0.3 -2,-0.1 -31,-0.2 -0.985 38.6 123.4-114.5 119.6 27.0 71.3 31.8 57 57 A S - 0 0 29 -33,-1.7 2,-0.1 -2,-0.5 3,-0.1 -0.954 60.0 -85.4-162.8 166.1 26.3 75.0 32.0 58 58 A E - 0 0 104 -2,-0.3 -34,-0.0 -33,-0.1 -27,-0.0 -0.444 56.3 -85.2 -79.6 154.4 28.2 78.2 32.8 59 59 A R - 0 0 108 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.299 45.3-122.9 -57.6 133.6 28.6 79.5 36.4 60 60 A L - 0 0 56 -40,-0.3 -1,-0.1 -39,-0.2 5,-0.0 -0.393 40.0 -82.3 -72.7 155.7 25.7 81.5 37.6 61 61 A P >> - 0 0 75 0, 0.0 4,-2.1 0, 0.0 3,-1.2 -0.347 42.2-115.1 -52.3 141.7 26.3 85.1 38.9 62 62 A G H 3> S+ 0 0 54 1,-0.3 4,-2.4 2,-0.2 5,-0.2 0.846 115.0 57.3 -45.0 -42.2 27.5 85.1 42.4 63 63 A Q H 3> S+ 0 0 152 1,-0.2 4,-1.8 2,-0.2 -1,-0.3 0.844 108.5 46.2 -66.3 -29.2 24.4 86.9 43.6 64 64 A T H <> S+ 0 0 66 -3,-1.2 4,-2.6 2,-0.2 5,-0.2 0.902 112.5 46.0 -83.9 -45.1 22.2 84.2 42.2 65 65 A S H X S+ 0 0 11 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.909 112.4 54.7 -64.6 -35.9 24.0 81.2 43.5 66 66 A G H X S+ 0 0 28 -4,-2.4 4,-1.7 -5,-0.3 -2,-0.2 0.960 113.5 39.4 -57.6 -56.4 24.2 83.0 46.9 67 67 A N H X S+ 0 0 94 -4,-1.8 4,-2.3 2,-0.2 5,-0.2 0.908 116.8 50.1 -59.3 -45.1 20.5 83.5 47.1 68 68 A A H X S+ 0 0 21 -4,-2.6 4,-2.2 1,-0.2 5,-0.2 0.949 108.7 50.9 -67.7 -42.2 19.6 80.1 45.7 69 69 A F H X S+ 0 0 0 -4,-2.9 4,-1.8 -5,-0.2 -1,-0.2 0.895 110.7 52.2 -57.7 -38.4 21.9 78.2 48.1 70 70 A E H X S+ 0 0 23 -4,-1.7 4,-2.4 -5,-0.2 -1,-0.2 0.921 107.6 48.6 -66.2 -47.7 20.2 80.1 50.9 71 71 A A H X S+ 0 0 23 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.916 113.5 48.6 -54.8 -48.3 16.6 79.3 49.9 72 72 A I H X S+ 0 0 17 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.829 110.6 48.9 -68.8 -34.2 17.5 75.6 49.6 73 73 A C H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.2 -1,-0.2 0.926 111.4 52.3 -63.3 -44.1 19.3 75.5 52.9 74 74 A S H X S+ 0 0 10 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.869 109.7 47.8 -59.9 -44.1 16.3 77.1 54.4 75 75 A E H X S+ 0 0 81 -4,-2.0 4,-2.2 2,-0.2 5,-0.3 0.871 110.5 52.4 -67.0 -40.8 13.9 74.5 52.9 76 76 A F H X S+ 0 0 4 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.956 111.7 45.7 -60.2 -50.0 16.2 71.7 54.2 77 77 A V H X S+ 0 0 0 -4,-2.6 4,-3.1 1,-0.2 5,-0.3 0.954 113.8 49.0 -59.8 -51.7 16.2 73.0 57.8 78 78 A Q H X S+ 0 0 101 -4,-2.4 4,-1.2 1,-0.2 -1,-0.2 0.886 115.1 42.6 -54.1 -45.6 12.4 73.6 57.8 79 79 A S H < S+ 0 0 37 -4,-2.2 4,-0.3 2,-0.2 -1,-0.2 0.915 120.8 40.6 -76.1 -36.5 11.5 70.2 56.4 80 80 A A H >< S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.3 -2,-0.2 0.927 112.4 52.8 -78.4 -43.5 13.9 68.2 58.6 81 81 A F H >< S+ 0 0 4 -4,-3.1 3,-1.8 -5,-0.3 -1,-0.2 0.802 98.0 67.1 -59.7 -33.3 13.5 70.2 61.9 82 82 A E G >< S+ 0 0 130 -4,-1.2 3,-0.6 -5,-0.3 -1,-0.3 0.729 91.1 62.8 -59.8 -24.1 9.8 69.7 61.7 83 83 A K G < S+ 0 0 66 -3,-1.5 3,-0.3 -4,-0.3 -1,-0.3 0.500 92.9 67.9 -73.0 -7.3 10.4 65.9 62.3 84 84 A L G X> + 0 0 1 -3,-1.8 4,-2.6 1,-0.2 3,-0.9 0.007 56.7 118.7-107.7 27.1 11.9 66.7 65.7 85 85 A Q T <4 S+ 0 0 74 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.773 73.5 57.5 -69.5 -27.3 8.8 67.9 67.6 86 86 A H T 34 S+ 0 0 25 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.711 117.1 32.8 -79.1 -22.3 9.0 65.1 70.1 87 87 A I T <4 S+ 0 0 4 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.2 0.690 138.5 18.5-104.1 -19.9 12.6 66.2 71.1 88 88 A R S < S- 0 0 1 -4,-2.6 -2,-0.2 -7,-0.1 -1,-0.2 -0.557 85.0-169.3-142.9 73.1 12.2 70.0 70.6 89 89 A P + 0 0 20 0, 0.0 2,-0.3 0, 0.0 -3,-0.1 -0.236 26.7 92.9 -68.8 158.3 8.5 70.9 70.6 90 90 A G S S- 0 0 25 2,-0.1 2,-0.9 285,-0.0 57,-0.1 -0.871 76.6 -68.2 153.9-174.6 7.0 74.2 69.6 91 91 A D E -C 146 0B 89 55,-0.5 55,-2.7 -2,-0.3 2,-0.3 -0.810 62.8-175.5-107.8 91.9 5.5 76.5 67.0 92 92 A W E -C 145 0B 29 -2,-0.9 2,-0.4 53,-0.2 53,-0.2 -0.618 17.9-166.9-103.3 146.1 8.5 77.1 64.8 93 93 A N E -C 144 0B 73 51,-2.5 51,-2.6 -2,-0.3 2,-0.5 -0.990 4.1-163.4-128.6 146.6 9.1 79.2 61.9 94 94 A V E +C 143 0B 23 -2,-0.4 2,-0.3 49,-0.2 49,-0.2 -0.993 20.4 174.8-126.1 125.7 12.0 79.2 59.4 95 95 A K E -C 142 0B 75 47,-2.4 47,-2.3 -2,-0.5 2,-0.9 -0.977 34.1-136.3-140.4 149.9 12.4 82.2 57.2 96 96 A Q E -C 141 0B 66 -2,-0.3 45,-0.2 45,-0.2 44,-0.1 -0.883 26.8-170.5-111.5 99.2 14.8 83.6 54.7 97 97 A V - 0 0 15 -2,-0.9 4,-0.5 43,-0.8 -1,-0.2 0.918 11.7-167.9 -58.8 -68.1 15.2 87.2 55.7 98 98 A G - 0 0 25 41,-0.4 3,-0.2 42,-0.4 -1,-0.1 0.103 39.5 -87.1 93.6 159.3 17.2 89.1 52.9 99 99 A S S S+ 0 0 117 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 0.720 113.1 77.7 -74.0 -22.2 18.9 92.5 52.5 100 100 A R S S+ 0 0 240 -3,-0.1 -1,-0.2 2,-0.0 -2,-0.1 0.946 90.4 55.7 -52.2 -56.0 15.6 94.0 51.4 101 101 A N S S- 0 0 45 -4,-0.5 2,-0.3 -3,-0.2 3,-0.2 -0.443 74.1-153.7 -81.6 154.6 14.1 94.2 54.9 102 102 A R + 0 0 209 1,-0.2 35,-0.1 -2,-0.1 36,-0.0 -0.921 67.6 23.3-128.8 153.8 15.9 96.0 57.7 103 103 A L S S+ 0 0 70 -2,-0.3 -1,-0.2 33,-0.1 4,-0.1 0.932 71.5 151.5 59.2 48.2 15.8 95.7 61.5 104 104 A E > + 0 0 6 33,-0.3 3,-1.6 -3,-0.2 34,-0.1 0.920 63.3 50.8 -77.5 -47.2 14.7 92.0 61.3 105 105 A I G > S+ 0 0 2 32,-1.0 3,-2.5 1,-0.3 6,-0.4 0.801 96.8 71.8 -61.8 -27.5 16.1 90.5 64.6 106 106 A A G 3 S+ 0 0 4 1,-0.3 -1,-0.3 31,-0.2 9,-0.2 0.646 82.6 70.7 -67.8 -11.1 14.5 93.4 66.6 107 107 A R G < S+ 0 0 132 -3,-1.6 2,-0.3 -4,-0.1 -1,-0.3 0.520 90.9 79.8 -76.9 -4.8 11.2 91.7 65.9 108 108 A Y S X> S- 0 0 11 -3,-2.5 3,-1.6 69,-0.1 4,-0.7 -0.826 90.6-116.5-111.3 148.6 12.4 89.0 68.3 109 109 A Q G >4 S+ 0 0 20 69,-2.7 3,-1.0 -2,-0.3 4,-0.3 0.820 107.0 51.4 -49.5 -44.9 12.4 89.2 72.1 110 110 A Q G 34 S+ 0 0 4 1,-0.3 100,-1.0 2,-0.1 -1,-0.3 0.677 122.6 31.2 -73.6 -16.0 16.1 89.1 72.8 111 111 A Y G X4 S+ 0 0 0 -3,-1.6 3,-1.5 -6,-0.4 -1,-0.3 0.284 82.2 108.9-124.3 11.8 16.9 91.8 70.5 112 112 A A T XX + 0 0 28 -3,-1.0 3,-1.9 -4,-0.7 4,-0.8 0.797 68.5 71.7 -61.0 -29.4 13.8 94.1 70.5 113 113 A H H 3> S+ 0 0 41 -4,-0.3 4,-2.8 1,-0.3 -1,-0.3 0.752 81.9 74.4 -57.6 -23.6 15.7 96.9 72.4 114 114 A L H <> S+ 0 0 11 -3,-1.5 4,-2.3 2,-0.2 -1,-0.3 0.780 91.7 55.0 -61.2 -29.6 17.6 97.5 69.2 115 115 A T H <> S+ 0 0 46 -3,-1.9 4,-2.9 -4,-0.2 5,-0.2 0.950 109.0 45.8 -65.2 -53.2 14.4 99.2 67.8 116 116 A A H X S+ 0 0 58 -4,-0.8 4,-2.3 2,-0.2 -2,-0.2 0.928 112.6 52.2 -56.1 -43.1 14.2 101.5 70.7 117 117 A L H X S+ 0 0 74 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.941 111.5 45.3 -60.5 -48.7 18.0 102.2 70.3 118 118 A A H X S+ 0 0 35 -4,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.901 111.6 52.0 -59.1 -44.9 17.6 103.0 66.6 119 119 A K H X S+ 0 0 150 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.912 111.5 49.4 -58.4 -39.4 14.5 105.3 67.2 120 120 A A H X S+ 0 0 34 -4,-2.3 4,-1.5 -5,-0.2 8,-0.2 0.911 111.8 45.8 -67.7 -46.3 16.6 107.1 69.9 121 121 A A H < S+ 0 0 5 -4,-2.4 7,-0.5 1,-0.2 3,-0.3 0.941 109.2 58.6 -57.4 -47.3 19.6 107.7 67.6 122 122 A E H < S+ 0 0 173 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.798 110.1 39.8 -58.7 -34.4 17.3 108.8 64.8 123 123 A E H < S+ 0 0 163 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.784 119.3 45.7 -86.6 -28.9 15.7 111.7 66.7 124 124 A N X - 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0 0 101 1,-0.1 -131,-0.1 2,-0.1 -129,-0.0 -0.495 360.0 -99.2 -67.0 146.6 -2.1 77.1 94.6 290 3 B P > - 0 0 3 0, 0.0 4,-2.3 0, 0.0 3,-0.3 -0.413 41.0-113.0 -62.3 147.3 -0.6 76.7 91.2 291 4 B L H > S+ 0 0 26 -133,-3.1 4,-2.4 1,-0.2 5,-0.2 0.866 115.9 53.7 -58.0 -38.1 2.3 74.4 91.5 292 5 B F H > S+ 0 0 0 -133,-2.5 4,-2.9 2,-0.2 -1,-0.2 0.915 108.7 52.1 -62.0 -38.4 5.0 77.0 90.6 293 6 B T H > S+ 0 0 36 -134,-0.6 4,-2.0 -3,-0.3 -2,-0.2 0.941 109.2 49.5 -58.6 -47.1 3.5 79.2 93.4 294 7 B Q H X S+ 0 0 72 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.885 111.2 48.1 -58.8 -43.7 3.8 76.2 95.8 295 8 B E H X S+ 0 0 26 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.931 108.2 55.7 -64.6 -41.7 7.5 75.7 94.8 296 9 B R H X S+ 0 0 16 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.917 112.2 42.4 -53.3 -43.8 8.1 79.4 95.3 297 10 B R H X S+ 0 0 102 -4,-2.0 4,-3.5 2,-0.2 -1,-0.2 0.867 111.2 54.5 -73.9 -35.1 6.8 79.2 98.9 298 11 B I H X S+ 0 0 67 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.956 107.5 52.5 -59.3 -45.7 8.6 75.9 99.5 299 12 B F H X S+ 0 0 3 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.927 113.4 42.4 -52.6 -52.8 11.7 77.9 98.4 300 13 B H H X S+ 0 0 4 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.939 110.1 56.6 -62.3 -47.3 11.0 80.7 101.0 301 14 B K H X S+ 0 0 105 -4,-3.5 4,-4.2 1,-0.2 5,-0.3 0.892 106.3 50.8 -53.8 -40.9 10.0 78.2 103.7 302 15 B K H X S+ 0 0 64 -4,-2.6 4,-1.9 1,-0.2 6,-0.4 0.896 108.8 50.5 -66.9 -36.2 13.4 76.5 103.4 303 16 B L H <>S+ 0 0 0 -4,-1.5 6,-1.9 -5,-0.2 5,-1.8 0.911 118.0 40.7 -65.5 -36.7 15.2 79.8 103.7 304 17 B L H ><5S+ 0 0 15 -4,-2.5 3,-2.2 3,-0.2 -2,-0.2 0.950 115.0 49.3 -73.2 -49.9 13.1 80.6 106.8 305 18 B D H 3<5S+ 0 0 106 -4,-4.2 -1,-0.2 1,-0.3 -2,-0.2 0.818 112.4 48.4 -60.2 -34.8 13.3 77.2 108.3 306 19 B G T 3<5S- 0 0 40 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.436 109.7-122.9 -85.1 2.6 17.0 77.1 107.9 307 20 B N T < 5S+ 0 0 47 -3,-2.2 40,-0.4 2,-0.3 -3,-0.2 0.701 77.6 127.5 55.8 21.9 17.4 80.5 109.4 308 21 B I S - 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