==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 21-SEP-11 3TWJ . COMPND 2 MOLECULE: RHO-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-Y.ZHU,E.SCHONBRUNN . 1582 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74679.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 934 59.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 173 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 85 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 183 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 438 27.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 0.6 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 9 4 1 6 2 5 9 1 0 0 0 5 3 0 0 5 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 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 . 9 6 4 1 5 6 4 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 . 3 0 4 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 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 7 A F 0 0 256 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -32.5 52.2 40.7 40.2 2 8 A E - 0 0 91 4,-0.0 2,-0.1 0, 0.0 5,-0.0 -0.819 360.0-144.8-135.6 119.9 51.5 38.8 37.1 3 9 A T >> - 0 0 77 -2,-0.3 4,-2.0 1,-0.1 3,-0.5 -0.381 26.0-114.2 -71.8 149.0 54.4 37.5 35.2 4 10 A R H 3> S+ 0 0 84 1,-0.3 4,-1.8 2,-0.2 5,-0.2 0.905 116.3 59.1 -54.0 -43.6 54.1 37.5 31.4 5 11 A F H 3> S+ 0 0 101 1,-0.2 4,-1.3 2,-0.2 3,-0.3 0.919 109.6 44.8 -47.3 -50.1 54.2 33.7 31.4 6 12 A E H <> S+ 0 0 81 -3,-0.5 4,-3.6 1,-0.2 5,-0.4 0.873 104.7 58.7 -62.9 -45.0 51.1 33.6 33.6 7 13 A K H X S+ 0 0 96 -4,-2.0 4,-2.3 1,-0.3 -1,-0.2 0.871 111.4 45.3 -54.2 -37.3 49.1 36.3 31.8 8 14 A M H X S+ 0 0 16 -4,-1.8 4,-0.8 -3,-0.3 -1,-0.3 0.756 111.3 50.5 -76.5 -35.3 49.4 34.0 28.8 9 15 A D H < S+ 0 0 34 -4,-1.3 4,-0.4 -5,-0.2 3,-0.3 0.898 116.1 42.2 -70.4 -40.6 48.6 30.9 30.7 10 16 A N H >< S+ 0 0 50 -4,-3.6 3,-1.3 1,-0.2 4,-0.5 0.879 107.9 62.3 -69.4 -41.7 45.5 32.6 32.1 11 17 A L H 3< S+ 0 0 48 -4,-2.3 3,-0.3 -5,-0.4 8,-0.3 0.724 103.7 48.9 -52.4 -29.0 44.9 34.1 28.6 12 18 A L T 3< S+ 0 0 13 -4,-0.8 9,-1.8 -3,-0.3 -1,-0.3 0.642 109.3 53.9 -87.2 -13.8 44.4 30.5 27.3 13 19 A R S < S+ 0 0 171 -3,-1.3 -2,-0.2 -4,-0.4 -1,-0.2 0.406 88.2 94.4 -97.6 -1.6 42.0 29.7 30.2 14 20 A D > - 0 0 75 -4,-0.5 3,-1.1 -3,-0.3 6,-0.2 -0.844 56.1-158.3-107.9 123.3 39.5 32.6 29.7 15 21 A P T 3 S+ 0 0 52 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.798 99.2 58.2 -62.5 -30.5 36.3 32.2 27.6 16 22 A K T 3 S+ 0 0 139 2,-0.0 2,-0.3 108,-0.0 -5,-0.0 0.669 92.4 91.2 -74.2 -16.6 36.3 36.0 27.2 17 23 A S X - 0 0 12 -3,-1.1 3,-0.6 1,-0.1 6,-0.2 -0.628 64.8-155.3 -81.4 137.4 39.8 35.7 25.6 18 24 A E T 3 S+ 0 0 76 -2,-0.3 -1,-0.1 1,-0.2 -6,-0.1 0.496 94.8 57.1 -85.3 -8.7 40.1 35.3 21.8 19 25 A V T 3 S+ 0 0 2 -8,-0.3 -1,-0.2 -5,-0.1 5,-0.1 0.239 83.6 121.7 -99.5 7.1 43.5 33.6 22.2 20 26 A N S <> S- 0 0 15 -3,-0.6 4,-2.0 -6,-0.2 5,-0.3 -0.008 81.3 -84.8 -74.5-179.3 42.2 30.8 24.4 21 27 A S H > S+ 0 0 33 -9,-1.8 4,-1.0 1,-0.2 -8,-0.1 0.862 125.4 41.2 -60.2 -41.3 42.3 27.1 23.7 22 28 A D H > S+ 0 0 31 -10,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.895 111.0 57.7 -73.9 -36.7 39.2 26.7 21.6 23 29 A C H > S+ 0 0 2 1,-0.2 4,-2.4 2,-0.2 367,-0.2 0.908 106.4 47.2 -58.0 -47.8 39.8 29.9 19.6 24 30 A L H X S+ 0 0 8 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.758 110.0 55.6 -68.3 -28.2 43.3 28.8 18.4 25 31 A L H X S+ 0 0 0 -4,-1.0 4,-3.4 -5,-0.3 3,-0.4 0.969 106.9 48.0 -61.8 -56.6 41.7 25.5 17.5 26 32 A D H X S+ 0 0 5 -4,-2.7 4,-3.4 1,-0.3 -2,-0.2 0.914 111.1 54.5 -47.6 -46.4 39.1 27.3 15.3 27 33 A G H X S+ 0 0 8 -4,-2.4 4,-1.9 2,-0.2 -1,-0.3 0.880 112.8 39.5 -56.6 -44.4 42.1 29.1 13.9 28 34 A L H X S+ 0 0 16 -4,-1.8 4,-2.4 -3,-0.4 -2,-0.2 0.915 114.1 52.9 -74.7 -46.0 44.0 26.0 12.9 29 35 A D H X S+ 0 0 18 -4,-3.4 4,-2.9 2,-0.2 -2,-0.2 0.957 107.7 55.4 -48.7 -52.8 40.8 24.2 11.8 30 36 A A H X S+ 0 0 5 -4,-3.4 4,-3.0 -5,-0.3 5,-0.4 0.937 106.2 48.1 -45.7 -64.6 40.2 27.3 9.6 31 37 A L H X S+ 0 0 5 -4,-1.9 4,-2.1 1,-0.2 5,-0.2 0.861 113.1 49.1 -46.0 -48.8 43.6 27.1 7.8 32 38 A V H >X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 3,-0.6 0.997 114.7 43.9 -50.6 -67.3 43.1 23.4 7.2 33 39 A Y H 3< S+ 0 0 51 -4,-2.9 -2,-0.2 1,-0.2 3,-0.2 0.886 123.9 34.8 -46.9 -51.5 39.6 23.9 5.7 34 40 A D H 3< S+ 0 0 12 -4,-3.0 348,-0.4 -5,-0.2 -1,-0.2 0.611 118.0 50.7 -82.9 -21.1 40.6 27.0 3.6 35 41 A L H << S+ 0 0 0 -4,-2.1 2,-1.3 -3,-0.6 -1,-0.2 0.616 88.8 92.8 -90.0 -15.5 44.1 26.0 2.6 36 42 A D < + 0 0 40 -4,-1.6 -1,-0.1 -5,-0.2 -4,-0.0 -0.647 43.7 113.7-100.6 98.1 43.2 22.5 1.4 37 43 A F S >> S- 0 0 39 -2,-1.3 4,-2.2 340,-0.1 3,-1.6 -0.941 71.5-116.3-149.3 142.6 42.6 22.3 -2.3 38 44 A P T 34 S+ 0 0 110 0, 0.0 4,-0.3 0, 0.0 9,-0.1 0.725 115.9 57.1 -50.6 -29.0 44.8 20.4 -4.7 39 45 A A T >4 S+ 0 0 54 1,-0.2 3,-0.7 2,-0.2 4,-0.2 0.876 109.7 42.9 -68.0 -43.9 45.5 23.7 -6.4 40 46 A L G X4 S+ 0 0 21 -3,-1.6 3,-2.1 1,-0.2 7,-0.3 0.828 103.0 66.7 -72.7 -33.9 46.8 25.3 -3.3 41 47 A R G 3< S+ 0 0 61 -4,-2.2 -1,-0.2 1,-0.3 6,-0.2 0.627 75.8 86.9 -64.6 -11.4 48.8 22.2 -2.3 42 48 A K G < S+ 0 0 184 -3,-0.7 2,-0.5 -4,-0.3 -1,-0.3 0.827 76.1 82.4 -54.1 -29.5 50.9 22.9 -5.4 43 49 A N S <> S- 0 0 44 -3,-2.1 4,-3.4 -4,-0.2 5,-0.2 -0.702 76.8-150.5 -75.3 124.1 52.8 25.0 -2.8 44 50 A K H > S+ 0 0 122 -2,-0.5 4,-3.8 2,-0.2 5,-0.4 0.923 95.0 57.1 -59.0 -48.9 55.2 22.8 -0.8 45 51 A N H > S+ 0 0 19 2,-0.2 4,-1.1 1,-0.2 -1,-0.2 0.906 116.8 35.4 -48.1 -49.8 54.9 25.1 2.3 46 52 A I H > S+ 0 0 7 -6,-0.2 4,-2.7 2,-0.2 3,-0.2 0.968 119.3 49.1 -69.0 -56.0 51.2 24.5 2.4 47 53 A D H X S+ 0 0 40 -4,-3.4 4,-1.9 -7,-0.3 5,-0.3 0.915 112.2 47.7 -49.2 -53.3 51.2 21.0 1.2 48 54 A N H X S+ 0 0 85 -4,-3.8 4,-1.3 1,-0.2 -1,-0.3 0.875 113.7 50.6 -57.4 -37.1 53.8 19.9 3.7 49 55 A F H X S+ 0 0 3 -4,-1.1 4,-1.9 -5,-0.4 5,-0.3 0.884 107.7 49.7 -73.3 -40.2 51.9 21.7 6.4 50 56 A L H X S+ 0 0 1 -4,-2.7 4,-3.6 1,-0.2 -2,-0.2 0.972 109.0 51.2 -62.2 -55.7 48.5 20.1 5.6 51 57 A S H < S+ 0 0 68 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.836 109.2 54.7 -48.3 -41.0 49.8 16.5 5.6 52 58 A R H < S+ 0 0 59 -4,-1.3 4,-0.3 -5,-0.3 -1,-0.2 0.985 126.4 15.7 -57.0 -62.8 51.4 17.2 9.0 53 59 A Y H X S+ 0 0 4 -4,-1.9 4,-1.1 1,-0.1 3,-0.3 0.634 101.1 99.1 -88.8 -15.7 48.3 18.4 10.9 54 60 A K H >X S+ 0 0 51 -4,-3.6 3,-2.1 1,-0.3 4,-0.7 0.867 88.1 33.6 -45.4 -72.9 45.6 17.2 8.6 55 61 A D H >> S+ 0 0 88 -4,-0.4 4,-1.2 1,-0.3 3,-1.2 0.821 112.0 64.8 -55.5 -32.5 44.4 14.0 10.1 56 62 A T H 3> S+ 0 0 19 -3,-0.3 4,-1.0 1,-0.3 -1,-0.3 0.709 96.6 55.7 -73.8 -16.6 45.0 15.4 13.6 57 63 A I H - 0 0 44 -2,-0.4 3,-3.0 -4,-0.1 4,-0.3 -0.912 45.9 -99.4-132.9 160.1 29.3 18.9 16.6 67 73 A A G > S+ 0 0 33 -2,-0.3 3,-1.9 1,-0.3 -2,-0.0 0.780 117.4 66.1 -45.5 -38.5 25.8 19.0 15.2 68 74 A E G 3 S+ 0 0 129 1,-0.3 -1,-0.3 3,-0.1 22,-0.1 0.554 82.7 75.6 -65.5 -10.8 25.4 15.2 15.8 69 75 A D G < S+ 0 0 15 -3,-3.0 21,-3.2 1,-0.1 2,-0.5 0.738 93.7 67.4 -65.2 -21.9 25.6 15.9 19.5 70 76 A Y E < -A 89 0A 12 -3,-1.9 2,-0.7 -4,-0.3 19,-0.2 -0.894 68.7-150.5-121.7 120.3 22.0 17.2 19.1 71 77 A E E -A 88 0A 93 17,-2.8 17,-2.1 -2,-0.5 2,-0.2 -0.777 30.2-130.9 -84.9 117.7 18.7 15.5 18.3 72 78 A V E +A 87 0A 82 -2,-0.7 15,-0.2 15,-0.2 3,-0.1 -0.471 29.0 175.4 -77.0 136.8 16.5 18.0 16.5 73 79 A V E - 0 0 48 13,-3.3 2,-0.3 1,-0.4 14,-0.1 0.872 56.6 -18.3-108.5 -72.0 12.9 18.4 17.8 74 80 A K E - 0 0 67 12,-0.5 12,-2.6 290,-0.0 2,-0.7 -0.936 63.3-109.2-134.8 161.3 10.8 21.1 16.1 75 81 A V E -A 85 0A 3 290,-1.0 10,-0.3 -2,-0.3 290,-0.2 -0.864 30.0-174.0 -92.2 116.8 11.8 24.2 14.1 76 82 A I E - 0 0 35 8,-2.5 2,-0.2 -2,-0.7 287,-0.2 0.352 61.5 -21.1 -97.6 4.0 11.0 27.2 16.3 77 83 A G E -A 84 0A 21 7,-1.0 7,-1.7 285,-0.1 2,-0.4 -0.844 50.3-132.0 169.6 162.8 11.7 29.9 13.7 78 84 A R E -A 83 0A 126 5,-0.3 5,-0.3 -2,-0.2 -3,-0.0 -0.891 15.5-179.6-137.0 113.4 13.5 30.8 10.5 79 85 A G - 0 0 61 3,-2.0 4,-0.2 -2,-0.4 -1,-0.1 0.156 47.8-112.5-101.0 17.7 15.6 33.9 10.3 80 86 A A S S+ 0 0 69 2,-0.6 3,-0.1 1,-0.2 -1,-0.1 0.355 115.6 65.4 68.1 -12.2 16.8 33.7 6.7 81 87 A F S S- 0 0 24 1,-0.4 21,-3.5 19,-0.1 2,-0.3 0.380 127.4 -54.5-100.7 -4.3 20.4 33.1 7.8 82 88 A G - 0 0 30 19,-0.2 -3,-2.0 23,-0.1 -2,-0.6 -0.976 65.7 -75.7 161.7-164.2 19.2 29.9 9.2 83 89 A E E -A 78 0A 20 -2,-0.3 17,-0.6 -5,-0.3 2,-0.5 -0.953 25.0-125.2-130.9 144.4 16.7 28.4 11.6 84 90 A V E -AB 77 99A 43 -7,-1.7 -8,-2.5 -2,-0.4 -7,-1.0 -0.788 34.0-168.6 -86.5 130.8 16.1 28.1 15.3 85 91 A Q E -AB 75 98A 23 13,-2.4 13,-1.9 -2,-0.5 2,-0.5 -0.968 24.4-129.8-124.9 128.7 15.7 24.4 16.3 86 92 A L E - B 0 97A 0 -12,-2.6 -13,-3.3 -2,-0.4 -12,-0.5 -0.666 44.0-175.7 -73.5 127.7 14.5 22.9 19.6 87 93 A V E -AB 72 96A 1 9,-2.3 9,-1.8 -2,-0.5 2,-0.4 -0.859 28.1-144.5-130.0 156.1 17.2 20.3 20.4 88 94 A R E -AB 71 95A 41 -17,-2.1 -17,-2.8 -2,-0.3 2,-0.6 -0.982 25.9-125.4-115.9 134.7 18.1 17.6 22.8 89 95 A H E > -A 70 0A 19 5,-2.3 4,-1.6 -2,-0.4 -19,-0.2 -0.708 22.3-140.8 -74.5 120.7 21.7 16.9 23.8 90 96 A K T 4 S+ 0 0 110 -21,-3.2 -1,-0.1 -2,-0.6 -20,-0.1 0.614 92.0 29.4 -62.7 -13.9 22.0 13.2 23.0 91 97 A S T 4 S+ 0 0 78 -22,-0.3 -1,-0.2 3,-0.1 -2,-0.0 0.812 127.1 33.6-110.7 -66.5 24.1 12.5 26.1 92 98 A T T 4 S- 0 0 88 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.789 90.1-148.2 -63.2 -27.2 23.3 14.9 28.9 93 99 A R < + 0 0 124 -4,-1.6 -3,-0.1 1,-0.3 -1,-0.1 0.548 44.9 148.4 71.6 0.1 19.7 14.8 27.6 94 100 A K - 0 0 106 -6,-0.1 -5,-2.3 1,-0.1 2,-0.5 -0.398 47.4-122.6 -63.3 147.1 19.4 18.3 28.8 95 101 A V E +B 88 0A 19 -7,-0.2 54,-0.5 -3,-0.1 2,-0.3 -0.842 38.7 163.2-109.6 129.2 17.1 20.3 26.6 96 102 A Y E -BC 87 148A 19 -9,-1.8 -9,-2.3 -2,-0.5 2,-0.4 -0.834 36.4-115.8-133.4 167.8 18.1 23.6 24.8 97 103 A A E -BC 86 147A 16 50,-3.2 50,-5.3 -2,-0.3 2,-0.4 -0.925 31.7-162.0-107.8 140.6 17.3 26.0 22.0 98 104 A M E -BC 85 146A 5 -13,-1.9 -13,-2.4 -2,-0.4 2,-0.3 -0.937 9.8-158.4-134.1 116.4 19.8 26.3 19.1 99 105 A K E -BC 84 145A 30 46,-1.7 46,-2.3 -2,-0.4 2,-0.4 -0.629 13.0-157.7 -86.5 142.2 20.3 29.0 16.4 100 106 A L - 0 0 18 -17,-0.6 2,-0.5 -2,-0.3 44,-0.2 -0.974 5.8-165.8-128.0 127.2 22.0 28.2 13.1 101 107 A L - 0 0 4 42,-0.4 42,-2.1 -2,-0.4 -19,-0.2 -0.946 22.5-128.4-120.3 119.6 23.8 30.6 10.7 102 108 A S B > -F 142 0B 22 -21,-3.5 4,-1.4 -2,-0.5 40,-0.2 -0.424 9.0-154.7 -63.8 128.0 24.7 29.5 7.2 103 109 A K H > S+ 0 0 2 38,-2.9 4,-1.9 -2,-0.2 -1,-0.2 0.899 94.1 50.9 -70.6 -36.2 28.3 30.3 6.6 104 110 A F H > S+ 0 0 23 37,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.910 105.7 51.6 -67.6 -48.1 27.5 30.5 2.9 105 111 A E H > S+ 0 0 51 2,-0.2 4,-2.2 1,-0.2 3,-0.2 0.972 112.5 44.9 -58.7 -56.1 24.6 32.9 3.0 106 112 A M H >X S+ 0 0 0 -4,-1.4 3,-0.8 1,-0.2 4,-0.7 0.957 111.6 51.8 -50.9 -58.7 26.4 35.5 5.1 107 113 A I H >< S+ 0 0 38 -4,-1.9 3,-1.0 1,-0.3 -1,-0.2 0.873 110.5 51.2 -47.3 -41.6 29.6 35.3 3.0 108 114 A K H 3< S+ 0 0 122 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.909 118.6 37.0 -56.8 -44.8 27.3 35.8 -0.0 109 115 A R H << S- 0 0 114 -4,-2.2 2,-0.5 -3,-0.8 -1,-0.2 0.210 100.4-133.1 -92.7 9.8 25.7 38.9 1.7 110 116 A S S << S+ 0 0 61 -3,-1.0 -1,-0.4 -4,-0.7 -2,-0.1 -0.615 72.5 120.5 61.8-121.1 28.8 40.3 3.4 111 117 A D + 0 0 70 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.819 30.0 137.3 46.1 37.2 27.1 40.7 6.7 112 118 A S + 0 0 26 -6,-0.1 3,-0.2 1,-0.1 -1,-0.2 0.538 56.8 57.1 -93.1 -10.0 29.6 38.3 8.3 113 119 A A S > S+ 0 0 58 1,-0.1 3,-1.1 -7,-0.1 4,-0.3 0.518 72.8 90.6-101.9 -5.9 30.3 40.3 11.5 114 120 A F T 3> S+ 0 0 43 1,-0.2 4,-0.5 2,-0.1 3,-0.3 0.569 73.8 69.2 -76.9 -10.0 26.9 40.8 13.4 115 121 A F H 3> S+ 0 0 0 -3,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.427 77.9 81.3 -90.5 -1.6 26.9 37.7 15.6 116 122 A W H <> S+ 0 0 54 -3,-1.1 4,-2.4 2,-0.2 -1,-0.2 0.912 97.6 38.5 -71.6 -44.3 29.8 38.7 17.8 117 123 A E H > S+ 0 0 45 95,-0.3 4,-2.5 -3,-0.3 5,-0.2 0.799 113.0 60.4 -75.5 -25.5 27.8 40.9 20.1 118 124 A E H X S+ 0 0 0 -4,-0.5 4,-1.2 94,-0.3 93,-0.2 0.920 115.5 31.4 -66.8 -44.7 25.0 38.4 19.9 119 125 A R H X S+ 0 0 19 -4,-1.9 4,-2.3 2,-0.2 5,-0.3 0.857 116.6 59.4 -76.7 -35.0 27.1 35.7 21.4 120 126 A D H X S+ 0 0 45 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.910 109.9 42.9 -60.1 -43.3 29.1 38.1 23.5 121 127 A I H X S+ 0 0 0 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190 A H H 3<5S+ 0 0 7 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.847 104.9 56.0 -54.7 -35.5 23.4 48.8 28.5 185 191 A S T 3<5S+ 0 0 101 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.636 102.4 53.2 -81.6 -14.9 25.7 48.2 31.5 186 192 A M T <45S- 0 0 57 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.670 126.5-108.0 -78.4 -22.6 27.7 45.7 29.6 187 193 A G T <5S+ 0 0 18 -4,-1.0 30,-3.6 1,-0.3 -3,-0.2 0.511 80.7 113.7 105.3 8.7 28.0 48.6 27.1 188 194 A F E < -J 216 0D 4 -5,-2.3 -1,-0.3 28,-0.2 2,-0.3 -0.513 51.4-144.5 -98.3 174.6 25.8 47.3 24.3 189 195 A I E -J 215 0D 0 26,-0.6 26,-1.3 -2,-0.2 62,-0.1 -0.992 14.6-137.6-134.5 144.7 22.5 48.4 22.8 190 196 A H - 0 0 0 -2,-0.3 -1,-0.1 24,-0.2 23,-0.1 0.914 27.9-156.5 -68.6 -38.2 19.8 46.1 21.5 191 197 A R S S+ 0 0 16 60,-0.1 22,-0.1 23,-0.1 63,-0.1 0.990 76.5 10.4 61.1 82.1 19.2 48.3 18.4 192 198 A D S S- 0 0 20 1,-0.2 2,-0.5 42,-0.2 21,-0.1 0.956 75.3-177.8 67.8 72.3 15.6 47.3 17.6 193 199 A V + 0 0 1 41,-0.2 -1,-0.2 61,-0.1 -2,-0.1 -0.882 12.9 174.1 -82.4 133.7 14.3 45.2 20.4 194 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3,-0.3 0.981 110.8 50.3 -70.5 -53.3 52.3 32.2 11.8 427 37 B L H X S+ 0 0 4 -4,-2.8 4,-1.7 1,-0.2 -1,-0.2 0.905 110.6 52.6 -46.3 -49.2 49.1 32.7 9.9 428 38 B V H X S+ 0 0 8 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.900 106.7 49.1 -58.7 -44.5 49.1 36.4 10.9 429 39 B Y H < S+ 0 0 44 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.929 116.7 44.7 -59.9 -42.1 52.7 37.1 9.7 430 40 B D H < S+ 0 0 13 -4,-2.2 -1,-0.2 1,-0.2 348,-0.2 0.657 113.2 50.4 -77.2 -23.1 51.7 35.5 6.4 431 41 B L H < S+ 0 0 0 -4,-1.7 2,-1.0 -5,-0.3 -1,-0.2 0.771 90.4 87.5 -79.9 -29.4 48.3 37.2 6.1 432 42 B D < + 0 0 80 -4,-1.8 -1,-0.1 -5,-0.2 3,-0.1 -0.625 55.5 107.3 -95.1 104.4 49.6 40.7 6.7 433 43 B F S > S- 0 0 39 -2,-1.0 4,-2.1 1,-0.1 3,-0.4 -0.941 71.6-116.5-175.6 136.6 50.7 42.3 3.5 434 44 B P T 4 S+ 0 0 103 0, 0.0 4,-0.5 0, 0.0 -1,-0.1 0.880 113.8 51.1 -61.1 -43.1 49.0 45.1 1.4 435 45 B A T >4 S+ 0 0 30 339,-0.3 3,-0.6 1,-0.2 340,-0.1 0.856 114.0 44.5 -59.3 -40.7 48.4 42.9 -1.6 436 46 B L G >4 S+ 0 0 14 -3,-0.4 3,-1.4 338,-0.3 7,-0.3 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1,-0.2 9,-0.2 0.896 107.2 49.5 -68.3 -41.8 80.1 10.0 0.7 635 245 B V H >> S+ 0 0 8 2,-0.2 3,-0.9 1,-0.2 4,-0.6 0.942 111.8 50.2 -60.4 -46.4 78.8 13.4 1.9 636 246 B L H >< S+ 0 0 42 -4,-2.2 3,-1.3 1,-0.2 4,-0.5 0.959 112.5 47.7 -49.7 -51.9 80.7 15.0 -1.0 637 247 B K H 3<>S+ 0 0 85 -4,-2.5 6,-0.8 1,-0.3 5,-0.7 0.517 104.3 59.5 -73.3 -11.0 79.1 12.5 -3.4 638 248 B S H <<5S+ 0 0 23 -3,-0.9 3,-0.3 -4,-0.8 -1,-0.3 0.524 108.1 43.8 -95.8 -5.9 75.5 12.9 -2.1 639 249 B Q T <<5S+ 0 0 106 -3,-1.3 -2,-0.1 -4,-0.6 -1,-0.1 0.930 109.7 63.2 -75.6 -53.9 75.3 16.7 -2.9 640 250 B G T 5S- 0 0 54 -4,-0.5 2,-0.5 -5,-0.1 -1,-0.4 -0.991 121.2-115.2 120.5 -10.9 76.6 15.8 -5.4 641 251 B G T 5S+ 0 0 66 -3,-0.3 -3,-0.2 1,-0.2 -4,-0.1 -0.587 82.2 92.8-107.6 14.5 74.2 14.0 -6.4 642 252 B D S - 0 0 5 -2,-0.3 3,-1.7 -59,-0.0 4,-0.1 -0.213 52.7 -61.7-109.3-155.5 74.5 7.7 6.9 647 257 B R T >> S+ 0 0 136 1,-0.3 3,-1.2 2,-0.2 4,-0.8 0.509 113.8 87.9 -71.9 -6.1 75.9 8.2 10.4 648 258 B E H 3> S+ 0 0 36 1,-0.2 4,-1.3 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0.797 107.0 56.7 -70.5 -32.2 92.2 13.4 15.6 659 269 B Y H X S+ 0 0 18 -4,-1.4 4,-2.0 -5,-0.4 6,-0.7 0.812 107.6 51.2 -66.4 -27.5 94.5 14.2 12.7 660 270 B E H X S+ 0 0 43 -4,-1.1 4,-1.7 3,-0.2 -2,-0.2 0.936 108.4 46.0 -81.4 -44.8 94.2 17.8 13.6 661 271 B M H < S+ 0 0 10 -4,-2.0 -101,-0.5 2,-0.2 -1,-0.2 0.913 122.2 38.8 -59.4 -42.5 95.1 17.6 17.3 662 272 B L H < S+ 0 0 30 -4,-1.7 -2,-0.2 -5,-0.1 -3,-0.2 0.978 129.0 27.1 -75.6 -53.7 98.0 15.4 16.6 663 273 B V H < S- 0 0 38 -4,-2.0 -3,-0.2 2,-0.3 -2,-0.2 0.624 98.0-128.3 -86.2 -15.2 99.5 16.8 13.4 664 274 B G S < S+ 0 0 55 -4,-1.7 2,-0.3 -5,-0.4 -4,-0.2 0.654 80.3 69.2 76.0 16.5 98.2 20.4 14.0 665 275 B D S S- 0 0 90 -6,-0.7 -2,-0.3 -5,-0.0 -1,-0.2 -0.985 88.8 -92.3-157.3 158.9 96.6 20.5 10.6 666 276 B T > - 0 0 12 -2,-0.3 3,-0.9 1,-0.1 -9,-0.1 -0.582 30.3-128.7 -82.6 143.5 93.8 19.1 8.6 667 277 B P T 3 S+ 0 0 15 0, 0.0 21,-0.2 0, 0.0 -1,-0.1 0.855 106.5 29.7 -50.7 -46.8 94.4 15.9 6.5 668 278 B F T 3 S+ 0 0 1 -39,-0.2 11,-0.2 19,-0.1 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0.0 0.382 118.5 62.4 40.2 29.3 12.1 31.9 73.7 1194 11 D F T 3> S+ 0 0 155 -2,-0.0 4,-4.8 3,-0.0 5,-0.3 0.257 118.6 23.1-137.4 -63.3 14.3 30.9 76.6 1195 12 D E H <> S+ 0 0 99 -3,-0.6 4,-3.4 2,-0.2 5,-0.3 0.914 121.0 63.1 -54.8 -49.5 13.2 27.4 77.5 1196 13 D K H 4 S+ 0 0 110 1,-0.2 -1,-0.2 2,-0.2 -3,-0.2 0.747 121.3 23.2 -52.9 -22.5 11.9 27.6 73.9 1197 14 D M H >> S+ 0 0 18 -5,-0.2 3,-2.9 3,-0.1 4,-1.8 0.797 126.3 45.5-101.6 -63.8 15.6 27.9 73.1 1198 15 D D H 3X S+ 0 0 101 -4,-4.8 4,-1.7 1,-0.3 -3,-0.2 0.776 109.5 59.2 -54.8 -29.3 17.5 26.4 76.1 1199 16 D N H 3< S+ 0 0 66 -4,-3.4 -1,-0.3 -5,-0.3 -3,-0.1 0.520 105.6 47.9 -83.6 -4.0 15.1 23.5 76.0 1200 17 D L H X4 S+ 0 0 54 -3,-2.9 3,-0.6 -5,-0.3 -2,-0.2 0.691 104.7 60.1 -83.4 -34.9 16.3 22.8 72.5 1201 18 D L H 3< S+ 0 0 23 -4,-1.8 9,-1.6 1,-0.3 2,-0.2 0.787 125.1 18.8 -68.6 -30.8 19.9 23.1 73.8 1202 19 D R T 3< S+ 0 0 81 -4,-1.7 -1,-0.3 7,-0.2 7,-0.0 -0.766 84.1 97.2-136.5 110.3 18.9 20.3 76.0 1203 20 D D S X S- 0 0 103 -3,-0.6 2,-3.4 -2,-0.2 3,-1.1 -0.300 71.0-149.0-150.9 66.9 16.0 18.0 75.3 1204 21 D P T 3 S+ 0 0 50 0, 0.0 -4,-0.1 0, 0.0 -3,-0.0 -0.118 87.8 73.0 -69.0 54.2 18.4 15.6 73.7 1205 22 D K T 3 S+ 0 0 159 -2,-3.4 2,-0.1 0, 0.0 -3,-0.0 0.058 87.3 110.2 -98.4 -3.4 16.6 13.9 71.0 1206 23 D S S < S- 0 0 18 -3,-1.1 3,-0.4 1,-0.1 6,-0.2 -0.348 70.5-148.8 -65.4 141.6 17.3 17.4 69.9 1207 24 D E S S+ 0 0 82 1,-0.2 -1,-0.1 5,-0.1 -6,-0.1 0.654 100.3 53.8 -88.6 -14.1 19.8 17.9 67.1 1208 25 D V S S+ 0 0 2 -8,-0.2 -1,-0.2 4,-0.1 -8,-0.1 0.235 79.7 127.2 -96.1 7.2 20.8 21.3 68.6 1209 26 D N S >> S- 0 0 10 -3,-0.4 4,-1.8 1,-0.1 3,-1.8 -0.386 82.4 -95.6 -61.7 152.5 21.5 19.7 71.9 1210 27 D S H 3> S+ 0 0 13 -9,-1.6 4,-1.4 1,-0.3 -1,-0.1 0.587 121.4 54.6 -58.7 -18.9 25.0 20.6 73.0 1211 28 D D H 3> S+ 0 0 13 2,-0.2 4,-2.7 3,-0.1 -1,-0.3 0.811 107.0 48.5 -82.1 -34.9 26.6 17.4 71.7 1212 29 D C H <> S+ 0 0 2 -3,-1.8 4,-2.4 2,-0.2 -2,-0.2 0.919 109.0 56.0 -70.5 -40.9 25.4 17.8 68.2 1213 30 D L H X S+ 0 0 2 -4,-1.8 4,-1.7 1,-0.2 -2,-0.2 0.916 112.7 40.3 -57.4 -44.4 26.6 21.4 68.3 1214 31 D L H X S+ 0 0 3 -4,-1.4 4,-3.1 1,-0.2 5,-0.3 0.934 109.3 60.8 -65.4 -45.7 30.1 20.2 69.2 1215 32 D D H X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.893 107.1 47.5 -47.2 -41.4 29.8 17.3 66.8 1216 33 D G H X S+ 0 0 9 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.917 110.3 47.4 -70.8 -47.5 29.4 20.0 64.1 1217 34 D L H X S+ 0 0 17 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.953 115.9 47.9 -55.4 -52.5 32.3 22.2 65.0 1218 35 D D H X S+ 0 0 8 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.909 115.5 43.8 -53.2 -49.1 34.4 19.2 65.2 1219 36 D A H X S+ 0 0 1 -4,-2.6 4,-2.3 -5,-0.3 5,-0.3 0.984 110.6 53.1 -62.7 -57.9 33.2 17.8 61.8 1220 37 D L H X S+ 0 0 4 -4,-3.5 4,-0.6 1,-0.2 -1,-0.2 0.792 112.2 48.0 -47.8 -34.0 33.4 21.1 60.0 1221 38 D V H >X S+ 0 0 4 -4,-1.7 3,-1.0 -5,-0.3 4,-0.7 0.944 108.3 51.4 -70.2 -53.6 37.0 21.4 61.2 1222 39 D Y H 3< S+ 0 0 46 -4,-2.2 3,-0.2 1,-0.3 -2,-0.2 0.789 113.7 47.0 -54.6 -34.6 38.1 17.8 60.2 1223 40 D D H 3< S+ 0 0 9 -4,-2.3 -1,-0.3 1,-0.2 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