==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 23-DEC-11 3V8S . COMPND 2 MOLECULE: RHO-ASSOCIATED PROTEIN KINASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.P.MARTIN,J.-YI.ZHU,E.SCHONBRUNN . 1584 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 74948.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 977 61.7 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 . 196 12.4 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.2 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 . 69 4.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 192 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 456 28.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 0.9 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 8 2 6 5 0 6 8 2 0 0 0 4 4 0 0 0 8 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 . 2 14 6 0 6 2 8 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 . 8 0 4 0 2 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 8 A E > 0 0 157 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -66.4 -58.6 -38.9 15.9 2 9 A T H > + 0 0 115 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.832 360.0 50.8 -64.6 -33.0 -61.1 -36.4 17.4 3 10 A R H > S+ 0 0 77 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 111.8 47.0 -66.7 -44.1 -59.2 -36.8 20.7 4 11 A F H > S+ 0 0 80 1,-0.2 4,-1.3 2,-0.2 -2,-0.2 0.752 110.4 55.8 -66.5 -24.8 -56.0 -36.1 18.9 5 12 A E H X S+ 0 0 98 -4,-1.6 4,-0.7 2,-0.2 -2,-0.2 0.905 106.6 45.6 -78.3 -43.2 -57.7 -33.1 17.2 6 13 A K H >X S+ 0 0 83 -4,-1.9 4,-2.7 1,-0.2 3,-0.8 0.908 107.8 61.5 -63.7 -40.2 -58.8 -31.2 20.3 7 14 A M H 3X S+ 0 0 31 -4,-1.6 4,-1.6 1,-0.3 -2,-0.2 0.922 105.3 43.3 -54.1 -51.5 -55.3 -31.8 21.8 8 15 A D H 3X S+ 0 0 66 -4,-1.3 4,-0.8 1,-0.2 -1,-0.3 0.622 110.6 58.9 -75.6 -9.4 -53.5 -29.8 19.1 9 16 A N H XX S+ 0 0 95 -3,-0.8 4,-2.7 -4,-0.7 3,-0.6 0.916 106.1 46.6 -74.2 -48.5 -56.2 -27.2 19.3 10 17 A L H 3< S+ 0 0 23 -4,-2.7 8,-0.2 1,-0.2 -2,-0.2 0.814 110.9 54.5 -58.2 -31.4 -55.4 -26.7 23.0 11 18 A L H 3< S+ 0 0 39 -4,-1.6 9,-1.9 -5,-0.3 -1,-0.2 0.791 114.7 38.9 -75.3 -29.8 -51.8 -26.6 22.0 12 19 A R H << S+ 0 0 193 -4,-0.8 -2,-0.2 -3,-0.6 -1,-0.2 0.844 84.5 108.0 -84.5 -41.3 -52.4 -23.8 19.5 13 20 A D >< - 0 0 76 -4,-2.7 3,-1.4 1,-0.2 6,-0.2 -0.128 58.7-149.7 -52.6 123.0 -54.9 -21.5 21.2 14 21 A P T 3 S+ 0 0 72 0, 0.0 -1,-0.2 0, 0.0 5,-0.1 0.758 102.8 46.4 -62.7 -22.6 -53.3 -18.2 22.3 15 22 A K T 3 S+ 0 0 148 3,-0.0 2,-0.2 2,-0.0 -2,-0.1 0.390 90.4 106.5 -97.3 -0.5 -55.9 -18.3 25.1 16 23 A S X - 0 0 17 -3,-1.4 3,-0.7 -7,-0.1 6,-0.2 -0.567 64.0-145.2 -78.7 145.1 -55.4 -21.9 26.1 17 24 A E T 3 S+ 0 0 71 1,-0.2 -1,-0.1 -2,-0.2 -6,-0.1 0.617 100.9 51.3 -85.6 -15.8 -53.5 -22.7 29.3 18 25 A V T 3 S+ 0 0 5 -8,-0.2 -1,-0.2 4,-0.1 -2,-0.0 0.151 83.1 129.4 -96.8 12.6 -51.9 -25.8 27.8 19 26 A N S X> S- 0 0 10 -3,-0.7 4,-2.4 -6,-0.2 3,-0.6 -0.245 78.0 -95.9 -64.8 163.2 -50.6 -23.9 24.7 20 27 A S H 3> S+ 0 0 27 -9,-1.9 4,-2.3 1,-0.2 5,-0.2 0.803 123.4 54.9 -48.6 -41.0 -47.0 -24.2 23.7 21 28 A D H 3> S+ 0 0 27 -10,-0.2 4,-2.3 2,-0.2 368,-0.3 0.913 111.1 44.5 -61.4 -43.8 -45.9 -21.0 25.5 22 29 A C H <> S+ 0 0 9 -3,-0.6 4,-2.8 -6,-0.2 -2,-0.2 0.940 111.5 52.8 -67.7 -45.8 -47.4 -22.2 28.8 23 30 A L H X S+ 0 0 6 -4,-2.4 4,-1.6 1,-0.2 -1,-0.2 0.898 112.3 45.2 -55.9 -43.7 -45.9 -25.7 28.4 24 31 A L H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.893 110.9 53.3 -67.6 -40.9 -42.5 -24.2 27.9 25 32 A D H X S+ 0 0 3 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.886 105.6 56.9 -59.2 -39.5 -43.0 -21.7 30.8 26 33 A G H X S+ 0 0 11 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.944 110.1 41.4 -55.3 -51.2 -43.8 -24.7 32.9 27 34 A L H X S+ 0 0 15 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.913 116.4 49.4 -66.2 -42.9 -40.5 -26.5 32.3 28 35 A D H X S+ 0 0 11 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.883 112.7 47.5 -63.7 -40.7 -38.5 -23.3 32.5 29 36 A A H X S+ 0 0 6 -4,-2.8 4,-2.4 -5,-0.2 355,-0.2 0.907 110.7 52.3 -67.2 -43.6 -40.2 -22.4 35.8 30 37 A L H X S+ 0 0 4 -4,-2.6 4,-1.6 -5,-0.2 -2,-0.2 0.933 109.9 48.2 -57.9 -48.3 -39.6 -25.9 37.1 31 38 A V H X S+ 0 0 7 -4,-2.5 4,-1.7 1,-0.2 3,-0.2 0.919 111.2 49.1 -63.3 -44.7 -35.9 -25.8 36.3 32 39 A Y H < S+ 0 0 48 -4,-2.0 -1,-0.2 1,-0.2 3,-0.2 0.933 114.2 47.3 -57.5 -45.2 -35.4 -22.3 37.9 33 40 A D H < S+ 0 0 9 -4,-2.4 348,-0.4 1,-0.2 349,-0.2 0.699 115.9 43.9 -76.7 -19.8 -37.2 -23.5 41.1 34 41 A L H < S+ 0 0 0 -4,-1.6 2,-1.8 -3,-0.2 -1,-0.2 0.701 86.1 93.3 -90.1 -18.9 -35.3 -26.8 41.3 35 42 A D < + 0 0 78 -4,-1.7 -1,-0.1 -3,-0.2 3,-0.0 -0.498 55.3 106.8 -96.6 91.7 -31.8 -25.8 40.7 36 43 A F S > S- 0 0 54 -2,-1.8 4,-2.1 1,-0.1 3,-0.1 -0.962 73.9-114.2-153.0 149.9 -30.2 -25.1 44.1 37 44 A P H > S+ 0 0 90 0, 0.0 4,-0.6 0, 0.0 341,-0.1 0.876 114.0 51.9 -62.7 -42.8 -27.7 -27.1 46.1 38 45 A A H >4 S+ 0 0 39 339,-0.3 3,-1.1 1,-0.2 4,-0.3 0.937 113.4 45.6 -55.4 -46.4 -30.0 -28.0 49.0 39 46 A L H >4 S+ 0 0 9 338,-0.3 3,-1.7 1,-0.3 7,-0.3 0.838 102.4 64.6 -70.5 -32.3 -32.6 -29.3 46.5 40 47 A R H 3< S+ 0 0 68 -4,-2.1 -1,-0.3 1,-0.3 6,-0.2 0.615 81.0 79.5 -69.6 -11.7 -30.0 -31.2 44.5 41 48 A K T << S+ 0 0 169 -3,-1.1 2,-0.4 -4,-0.6 -1,-0.3 0.847 79.6 83.8 -57.2 -34.1 -29.4 -33.4 47.5 42 49 A N S <> S- 0 0 46 -3,-1.7 4,-2.6 -4,-0.3 5,-0.1 -0.628 77.6-150.4 -73.2 126.2 -32.6 -35.1 46.2 43 50 A K H > S+ 0 0 130 -2,-0.4 4,-2.5 2,-0.2 5,-0.2 0.811 94.0 55.9 -72.2 -36.1 -31.6 -37.6 43.6 44 51 A N H > S+ 0 0 24 735,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.934 114.7 41.4 -55.4 -47.7 -34.9 -37.2 41.6 45 52 A I H > S+ 0 0 4 -6,-0.3 4,-2.2 734,-0.2 -2,-0.2 0.918 114.8 49.5 -70.6 -45.1 -34.2 -33.5 41.4 46 53 A D H X S+ 0 0 52 -4,-2.6 4,-1.4 -7,-0.3 -1,-0.2 0.872 114.1 45.7 -62.8 -39.7 -30.5 -33.8 40.7 47 54 A N H X S+ 0 0 66 -4,-2.5 4,-1.8 2,-0.2 -1,-0.2 0.798 110.3 53.2 -75.3 -31.1 -31.0 -36.4 37.9 48 55 A F H X S+ 0 0 1 -4,-1.6 4,-1.7 -5,-0.2 -2,-0.2 0.918 109.9 48.6 -69.2 -42.7 -33.8 -34.4 36.3 49 56 A L H X S+ 0 0 5 -4,-2.2 4,-0.7 2,-0.2 -2,-0.2 0.835 110.7 49.0 -68.6 -32.8 -31.7 -31.3 36.1 50 57 A S H >< S+ 0 0 70 -4,-1.4 3,-0.6 1,-0.2 4,-0.4 0.922 111.5 51.2 -70.9 -42.6 -28.7 -33.1 34.6 51 58 A R H 3< S+ 0 0 72 -4,-1.8 4,-0.3 1,-0.2 -2,-0.2 0.811 119.7 34.0 -59.4 -38.0 -31.0 -34.7 32.0 52 59 A Y H 3X S+ 0 0 3 -4,-1.7 4,-2.9 1,-0.1 5,-0.3 0.371 87.7 102.8-101.1 2.4 -32.5 -31.3 31.0 53 60 A K H S+ 0 0 117 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.912 116.9 49.5 -61.7 -44.3 -28.6 -28.7 27.7 55 62 A T H > S+ 0 0 28 -4,-0.3 4,-3.0 2,-0.2 5,-0.2 0.923 109.8 50.5 -65.4 -41.5 -32.2 -28.5 26.5 56 63 A I H X S+ 0 0 5 -4,-2.9 4,-2.2 1,-0.2 -1,-0.2 0.919 111.4 49.3 -62.1 -42.4 -33.2 -25.8 29.0 57 64 A N H X S+ 0 0 86 -4,-2.1 4,-1.3 -5,-0.3 -1,-0.2 0.914 112.7 48.4 -56.6 -44.4 -30.1 -23.8 28.0 58 65 A K H X S+ 0 0 98 -4,-2.3 4,-2.1 1,-0.2 3,-0.5 0.963 112.5 47.1 -61.0 -54.0 -31.1 -24.2 24.3 59 66 A I H X S+ 0 0 4 -4,-3.0 4,-2.0 1,-0.3 -1,-0.2 0.834 106.5 55.8 -61.7 -38.4 -34.7 -23.2 24.8 60 67 A R H < S+ 0 0 65 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.872 112.6 45.7 -63.1 -33.5 -33.9 -20.1 26.9 61 68 A D H < S+ 0 0 79 -4,-1.3 -2,-0.2 -3,-0.5 -1,-0.2 0.860 111.0 50.0 -77.4 -36.5 -31.8 -18.9 24.0 62 69 A L H < S+ 0 0 10 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.870 99.6 75.1 -72.4 -36.5 -34.2 -19.7 21.2 63 70 A R S < S- 0 0 21 -4,-2.0 73,-0.0 -5,-0.2 339,-0.0 -0.325 103.0 -76.8 -76.8 158.4 -37.2 -18.0 22.8 64 71 A M + 0 0 36 71,-0.1 73,-0.3 -2,-0.1 2,-0.3 -0.282 63.4 170.8 -54.1 135.9 -37.7 -14.2 22.9 65 72 A K > - 0 0 34 -4,-0.1 3,-1.5 -3,-0.1 4,-0.3 -0.910 47.1 -97.7-148.9 167.1 -35.5 -12.8 25.7 66 73 A A G > S+ 0 0 28 -2,-0.3 3,-1.9 1,-0.3 -2,-0.0 0.841 115.0 62.5 -62.1 -37.7 -34.4 -9.4 27.0 67 74 A E G 3 S+ 0 0 108 1,-0.3 -1,-0.3 3,-0.0 22,-0.1 0.613 88.3 73.8 -66.8 -11.7 -31.0 -9.4 25.2 68 75 A D G < S+ 0 0 15 -3,-1.5 21,-2.4 20,-0.1 22,-0.4 0.705 94.5 61.7 -70.6 -20.5 -32.9 -9.4 21.9 69 76 A Y E < S-A 88 0A 9 -3,-1.9 2,-0.4 -4,-0.3 19,-0.2 -0.866 76.1-137.8-113.0 142.3 -33.8 -5.7 22.5 70 77 A E E -A 87 0A 91 17,-3.5 17,-2.8 -2,-0.4 2,-0.7 -0.834 21.9-130.3 -95.6 133.1 -31.6 -2.7 22.9 71 78 A V E +A 86 0A 63 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.734 27.2 175.6 -87.3 116.0 -32.5 -0.2 25.6 72 79 A V E - 0 0 55 13,-2.7 2,-0.3 -2,-0.7 14,-0.2 0.875 63.0 -34.0 -82.5 -42.4 -32.6 3.3 24.3 73 80 A K E -A 85 0A 63 12,-1.5 12,-3.3 292,-0.0 2,-0.7 -0.961 54.8-100.5-176.3 157.5 -33.8 5.0 27.6 74 81 A V E +A 84 0A 1 290,-0.5 290,-0.4 -2,-0.3 10,-0.3 -0.796 34.8 173.7 -93.4 111.8 -36.0 4.6 30.7 75 82 A I E + 0 0 24 8,-1.8 2,-0.3 -2,-0.7 287,-0.2 0.414 60.3 13.5-102.2 -1.6 -39.2 6.5 30.1 76 83 A G E -A 83 0A 19 7,-1.2 7,-2.7 285,-0.1 2,-0.4 -0.939 52.4-154.2-169.0 154.2 -41.1 5.6 33.3 77 84 A R E +A 82 0A 105 -2,-0.3 5,-0.3 5,-0.3 -3,-0.0 -0.994 11.9 172.5-135.8 125.3 -40.9 4.0 36.8 78 85 A G - 0 0 58 3,-3.0 4,-0.2 -2,-0.4 -1,-0.1 0.285 47.3-119.2-113.4 7.3 -43.7 2.3 38.8 79 86 A A S S+ 0 0 93 2,-0.8 3,-0.1 1,-0.2 21,-0.0 0.245 116.0 66.6 68.3 -17.0 -41.9 0.9 41.9 80 87 A F S S- 0 0 52 1,-0.3 21,-2.5 19,-0.1 2,-0.3 0.316 128.5 -62.6 -98.6 -0.5 -43.1 -2.5 40.6 81 88 A G E - B 0 100A 24 19,-0.2 -3,-3.0 23,-0.1 -2,-0.8 -0.996 59.6 -86.4 155.6-155.0 -40.7 -1.8 37.8 82 89 A E E -AB 77 99A 39 17,-1.0 17,-2.9 -2,-0.3 2,-0.4 -0.901 19.4-122.8-145.5 168.8 -40.0 0.5 34.9 83 90 A V E -AB 76 98A 25 -7,-2.7 -8,-1.8 -2,-0.3 -7,-1.2 -0.983 27.8-166.0-118.6 134.4 -40.8 1.2 31.2 84 91 A Q E -AB 74 97A 16 13,-3.2 13,-3.1 -2,-0.4 2,-0.6 -0.948 23.6-129.8-121.6 136.8 -38.0 1.4 28.6 85 92 A L E +AB 73 96A 0 -12,-3.3 -13,-2.7 -2,-0.4 -12,-1.5 -0.773 45.1 179.6 -74.8 125.3 -37.9 2.7 25.1 86 93 A V E -AB 71 95A 0 9,-2.9 9,-2.4 -2,-0.6 2,-0.4 -0.899 28.1-147.4-128.5 158.5 -36.3 -0.2 23.3 87 94 A R E -AB 70 94A 41 -17,-2.8 -17,-3.5 -2,-0.3 2,-0.3 -0.990 27.8-121.1-121.9 129.2 -35.2 -1.2 19.8 88 95 A H E > -A 69 0A 25 5,-2.5 4,-2.0 -2,-0.4 -19,-0.2 -0.502 23.1-138.5 -65.4 125.8 -35.3 -4.8 18.6 89 96 A K T 4 S+ 0 0 109 -21,-2.4 -1,-0.2 -2,-0.3 -20,-0.1 0.773 95.4 30.4 -61.6 -27.8 -31.6 -5.4 17.6 90 97 A S T 4 S+ 0 0 97 -22,-0.4 -1,-0.2 3,-0.1 -21,-0.1 0.897 126.0 35.8 -96.4 -59.5 -32.6 -7.4 14.5 91 98 A T T 4 S- 0 0 68 2,-0.1 -2,-0.2 1,-0.1 3,-0.1 0.767 91.2-139.6 -68.5 -23.3 -35.9 -6.0 13.2 92 99 A R < + 0 0 121 -4,-2.0 2,-0.1 1,-0.3 -3,-0.1 0.374 51.0 146.5 74.7 -1.4 -34.9 -2.4 14.2 93 100 A K - 0 0 118 -6,-0.1 -5,-2.5 1,-0.1 2,-0.3 -0.412 43.4-133.5 -67.2 136.6 -38.6 -1.8 15.4 94 101 A V E +B 87 0A 31 -7,-0.2 54,-0.4 -2,-0.1 2,-0.3 -0.709 31.6 164.0 -96.4 144.9 -39.0 0.5 18.4 95 102 A Y E -B 86 0A 23 -9,-2.4 -9,-2.9 -2,-0.3 2,-0.5 -0.948 39.6-111.7-146.6 163.3 -41.3 -0.4 21.3 96 103 A A E -BC 85 146A 9 50,-2.5 50,-3.2 -2,-0.3 2,-0.5 -0.898 35.8-161.2 -97.0 132.7 -42.1 0.5 24.8 97 104 A M E -BC 84 145A 4 -13,-3.1 -13,-3.2 -2,-0.5 2,-0.4 -0.946 5.9-158.0-123.5 120.4 -41.1 -2.3 27.2 98 105 A K E -BC 83 144A 19 46,-2.4 46,-2.3 -2,-0.5 2,-0.5 -0.805 5.3-158.4 -93.5 134.7 -42.4 -2.7 30.7 99 106 A L E -BC 82 143A 15 -17,-2.9 -17,-1.0 -2,-0.4 2,-0.5 -0.953 3.5-165.7-109.1 127.7 -40.5 -4.7 33.3 100 107 A L E -BC 81 142A 10 42,-2.4 42,-2.3 -2,-0.5 2,-0.4 -0.966 21.3-128.6-117.5 121.4 -42.3 -6.1 36.3 101 108 A S E > - C 0 141A 17 -21,-2.5 4,-1.7 -2,-0.5 40,-0.2 -0.518 10.4-159.6 -70.6 122.8 -40.1 -7.3 39.2 102 109 A K H > S+ 0 0 9 38,-2.7 4,-2.1 -2,-0.4 5,-0.2 0.923 92.8 54.6 -66.1 -43.9 -41.0 -10.9 40.3 103 110 A F H > S+ 0 0 57 37,-0.5 4,-3.2 1,-0.2 5,-0.2 0.937 109.3 45.9 -54.2 -53.0 -39.3 -10.3 43.6 104 111 A E H > S+ 0 0 57 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.882 112.3 51.1 -59.6 -40.8 -41.3 -7.2 44.4 105 112 A M H < S+ 0 0 0 -4,-1.7 -1,-0.2 2,-0.2 -2,-0.2 0.813 114.9 42.2 -69.6 -31.7 -44.6 -8.8 43.4 106 113 A I H >< S+ 0 0 49 -4,-2.1 3,-1.3 -3,-0.2 -2,-0.2 0.941 116.4 49.6 -73.9 -49.9 -44.0 -11.8 45.6 107 114 A K H 3< S+ 0 0 123 -4,-3.2 -2,-0.2 1,-0.3 -3,-0.2 0.880 120.4 34.3 -53.1 -46.9 -42.7 -9.7 48.4 108 115 A R T 3< S- 0 0 165 -4,-2.8 -1,-0.3 1,-0.4 -2,-0.2 0.397 105.9-137.6 -90.0 5.2 -45.6 -7.3 48.3 109 116 A S < + 0 0 73 -3,-1.3 -1,-0.4 -5,-0.1 -2,-0.1 -0.436 69.2 115.0 55.2-142.6 -48.0 -10.1 47.4 110 117 A D + 0 0 99 1,-0.1 3,-0.1 -3,-0.1 -1,-0.1 0.985 33.1 152.0 42.3 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-22.0 1210 25 D V T 3 S+ 0 0 2 -8,-0.2 -1,-0.2 -5,-0.1 5,-0.1 0.176 76.7 128.5-101.0 11.6 -45.2 -39.2 -22.3 1211 26 D N S X> S- 0 0 8 -3,-0.9 4,-1.8 -6,-0.2 3,-0.6 -0.306 77.8 -97.0 -64.2 162.1 -44.1 -41.9 -24.7 1212 27 D S H 3> S+ 0 0 14 -9,-1.9 4,-2.0 1,-0.3 5,-0.1 0.823 123.4 52.0 -50.7 -42.3 -44.9 -45.4 -23.6 1213 28 D D H 3> S+ 0 0 45 -10,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.883 108.7 51.1 -65.9 -38.7 -41.4 -46.1 -22.1 1214 29 D C H <> S+ 0 0 4 -3,-0.6 4,-1.2 1,-0.2 367,-0.3 0.877 110.9 48.6 -62.4 -38.0 -41.6 -42.9 -20.1 1215 30 D L H X S+ 0 0 9 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.792 105.6 56.7 -76.6 -31.6 -45.0 -43.9 -18.6 1216 31 D L H X S+ 0 0 12 -4,-2.0 4,-2.8 -5,-0.2 -1,-0.2 0.922 102.8 57.5 -60.7 -43.1 -43.8 -47.4 -17.8 1217 32 D D H X S+ 0 0 2 -4,-1.7 4,-2.8 1,-0.2 5,-0.2 0.904 103.4 53.1 -48.8 -48.9 -41.1 -45.6 -15.7 1218 33 D G H X S+ 0 0 11 -4,-1.2 4,-2.2 2,-0.2 -1,-0.2 0.918 110.8 44.9 -57.0 -48.1 -43.8 -43.9 -13.7 1219 34 D L H X S+ 0 0 12 -4,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.948 114.0 50.2 -62.4 -47.2 -45.5 -47.1 -12.9 1220 35 D D H X S+ 0 0 13 -4,-2.8 4,-2.1 1,-0.2 -2,-0.2 0.887 112.0 46.9 -58.2 -43.2 -42.2 -48.8 -12.0 1221 36 D A H X S+ 0 0 7 -4,-2.8 4,-3.0 2,-0.2 -1,-0.2 0.892 109.7 53.2 -69.0 -39.7 -41.1 -45.9 -9.7 1222 37 D L H X S+ 0 0 7 -4,-2.2 4,-1.7 -5,-0.2 -1,-0.2 0.909 109.1 49.4 -63.7 -42.5 -44.4 -45.8 -8.0 1223 38 D V H X S+ 0 0 2 -4,-2.3 4,-1.4 1,-0.2 -1,-0.2 0.919 112.7 47.5 -62.6 -46.3 -44.3 -49.5 -7.2 1224 39 D Y H < S+ 0 0 47 -4,-2.1 3,-0.3 1,-0.2 -2,-0.2 0.940 115.5 44.8 -55.6 -50.5 -40.7 -49.1 -5.9 1225 40 D D H < S+ 0 0 12 -4,-3.0 348,-0.3 1,-0.2 349,-0.2 0.667 117.9 42.7 -76.6 -20.2 -41.6 -46.1 -3.7 1226 41 D L H < S+ 0 0 0 -4,-1.7 2,-1.8 -5,-0.2 -1,-0.2 0.651 86.5 94.9 -95.0 -14.8 -44.8 -47.5 -2.3 1227 42 D D < + 0 0 54 -4,-1.4 -1,-0.1 -3,-0.3 -4,-0.0 -0.474 53.0 108.0 -97.0 90.4 -43.9 -51.1 -1.5 1228 43 D F S > S- 0 0 59 -2,-1.8 4,-2.1 1,-0.1 3,-0.1 -0.964 76.1-111.4-148.8 150.7 -42.9 -51.2 2.1 1229 44 D P T 4 S+ 0 0 109 0, 0.0 4,-0.3 0, 0.0 -1,-0.1 0.858 114.9 52.0 -59.7 -35.9 -44.8 -52.6 5.1 1230 45 D A T >4 S+ 0 0 41 339,-0.3 3,-1.2 1,-0.2 4,-0.2 0.935 111.3 45.4 -65.6 -44.9 -45.5 -49.2 6.7 1231 46 D L G >4 S+ 0 0 7 338,-0.3 3,-2.1 1,-0.3 6,-0.3 0.870 102.7 66.4 -66.8 -35.1 -47.0 -47.7 3.5 1232 47 D R G 3< S+ 0 0 68 -4,-2.1 -1,-0.3 1,-0.3 6,-0.2 0.563 79.1 80.5 -65.3 -9.7 -49.1 -50.9 2.8 1233 48 D K G < S+ 0 0 147 -3,-1.2 2,-0.6 -4,-0.3 -1,-0.3 0.657 77.7 82.7 -68.1 -15.2 -51.1 -50.1 6.0 1234 49 D N S <> S- 0 0 42 -3,-2.1 4,-2.7 -4,-0.2 5,-0.2 -0.821 79.2-149.1 -86.2 122.1 -52.9 -47.7 3.7 1235 50 D K H > S+ 0 0 140 -2,-0.6 4,-3.0 2,-0.2 5,-0.4 0.843 94.1 60.2 -66.2 -33.9 -55.5 -49.8 1.8 1236 51 D N H > S+ 0 0 26 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.952 114.0 38.0 -51.2 -49.7 -55.4 -47.6 -1.3 1237 52 D I H > S+ 0 0 5 -6,-0.3 4,-2.4 -62,-0.2 -2,-0.2 0.899 116.4 51.3 -72.1 -40.9 -51.7 -48.5 -1.6 1238 53 D D H X S+ 0 0 50 -4,-2.7 4,-1.8 -7,-0.2 -2,-0.2 0.930 113.4 43.2 -66.5 -46.3 -52.0 -52.1 -0.5 1239 54 D N H X S+ 0 0 79 -4,-3.0 4,-2.4 2,-0.2 -1,-0.2 0.919 112.6 54.6 -64.7 -41.6 -54.8 -52.9 -2.9 1240 55 D F H X S+ 0 0 3 -4,-1.8 4,-2.1 -5,-0.4 -2,-0.2 0.935 109.2 46.8 -54.7 -50.8 -53.0 -51.0 -5.7 1241 56 D L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.840 110.4 52.9 -64.8 -35.6 -49.8 -53.0 -5.2 1242 57 D S H < S+ 0 0 73 -4,-1.8 4,-0.4 -5,-0.2 3,-0.3 0.906 110.0 48.5 -65.9 -42.7 -51.7 -56.3 -5.1 1243 58 D R H < S+ 0 0 59 -4,-2.4 4,-0.4 1,-0.2 3,-0.3 0.953 121.9 33.9 -56.0 -48.7 -53.4 -55.6 -8.4 1244 59 D Y H X S+ 0 0 2 -4,-2.1 4,-2.8 -5,-0.2 -1,-0.2 0.440 91.7 85.7 -96.5 -2.7 -50.2 -54.6 -10.1 1245 60 D K H X S+ 0 0 56 -4,-1.3 4,-1.9 -3,-0.3 -1,-0.2 0.815 89.5 49.5 -81.5 -28.4 -47.4 -56.7 -8.8 1246 61 D D H > S+ 0 0 132 -4,-0.4 4,-2.4 -3,-0.3 -1,-0.2 0.974 117.7 42.4 -62.1 -56.1 -47.7 -59.8 -11.0 1247 62 D T H > S+ 0 0 29 -4,-0.4 4,-3.4 1,-0.2 -2,-0.2 0.927 112.9 54.3 -53.4 -48.5 -47.8 -57.5 -14.1 1248 63 D I H X S+ 0 0 2 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.882 109.2 46.4 -58.8 -42.8 -45.0 -55.3 -12.6 1249 64 D N H X S+ 0 0 75 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.930 113.6 49.5 -63.4 -45.2 -42.6 -58.3 -12.2 1250 65 D K H >X S+ 0 0 109 -4,-2.4 4,-1.8 1,-0.2 3,-0.6 0.955 112.4 48.3 -57.5 -51.8 -43.5 -59.6 -15.6 1251 66 D I H 3X S+ 0 0 2 -4,-3.4 4,-2.5 1,-0.2 -2,-0.2 0.918 108.3 52.5 -52.2 -50.5 -42.8 -56.1 -17.0 1252 67 D R H 3< S+ 0 0 62 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.760 109.6 53.3 -63.6 -21.7 -39.4 -55.7 -15.2 1253 68 D D H << S+ 0 0 93 -4,-1.3 -1,-0.2 -3,-0.6 -2,-0.2 0.888 112.8 39.7 -77.8 -41.7 -38.5 -59.0 -16.7 1254 69 D L H < S+ 0 0 26 -4,-1.8 -2,-0.2 -3,-0.2 -3,-0.1 0.925 98.4 83.5 -75.7 -46.1 -39.2 -58.1 -20.4 1255 70 D R S < S- 0 0 24 -4,-2.5 73,-0.0 -5,-0.2 -457,-0.0 -0.214 99.6 -81.2 -61.1 150.6 -37.9 -54.5 -20.4 1256 71 D M + 0 0 18 2,-0.0 2,-0.3 3,-0.0 73,-0.3 -0.159 60.3 175.8 -51.5 142.7 -34.1 -54.1 -21.0 1257 72 D K > - 0 0 44 -3,-0.1 3,-2.1 71,-0.1 4,-0.2 -0.966 45.6 -99.7-152.1 164.2 -32.1 -54.6 -17.8 1258 73 D A G > S+ 0 0 27 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.856 116.2 62.9 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1275 0M 19 7,-1.5 7,-2.5 285,-0.1 2,-0.4 -0.982 56.2-158.7-160.9 153.7 -13.8 -45.2 -16.8 1269 84 D R E +F 1274 0M 92 -2,-0.3 5,-0.3 5,-0.3 2,-0.2 -0.980 12.2 172.9-141.4 127.6 -14.8 -43.9 -13.4 1270 85 D G - 0 0 54 3,-3.7 -2,-0.0 -2,-0.4 5,-0.0 -0.436 47.5 -96.5-110.1-168.9 -16.6 -40.8 -12.2 1271 86 D A S S+ 0 0 73 1,-0.2 3,-0.1 -2,-0.2 25,-0.0 0.812 123.4 40.7 -80.9 -33.0 -18.0 -39.6 -8.9 1272 87 D F S S- 0 0 35 1,-0.1 21,-3.2 24,-0.0 2,-0.3 0.396 131.7 -56.3 -95.8 2.8 -21.5 -40.8 -9.6 1273 88 D G - 0 0 24 19,-0.2 -3,-3.7 23,-0.1 2,-0.3 -0.997 59.2 -82.4 156.9-156.5 -20.5 -44.1 -11.2 1274 89 D E E -F 1269 0M 23 -2,-0.3 17,-3.3 17,-0.3 2,-0.5 -0.859 21.9-116.2-141.8 169.4 -18.4 -45.7 -13.9 1275 90 D V E -FH12681290M 25 -7,-2.5 -8,-1.6 -2,-0.3 -7,-1.5 -0.967 31.7-169.3-113.7 130.9 -18.2 -46.7 -17.5 1276 91 D Q E -FH12661289M 22 13,-2.7 13,-2.8 -2,-0.5 2,-0.5 -0.913 26.1-125.0-119.3 142.0 -18.0 -50.4 -18.5 1277 92 D L E +FH12651288M 0 -12,-2.6 -13,-2.9 -2,-0.4 -12,-1.2 -0.749 46.0 177.6 -76.1 125.3 -17.2 -52.3 -21.7 1278 93 D V E -FH12631287M 0 9,-2.8 9,-2.3 -2,-0.5 2,-0.4 -0.854 27.2-148.6-128.4 163.0 -20.2 -54.6 -22.1 1279 94 D R E -FH12621286M 45 -17,-1.7 -17,-2.9 -2,-0.3 2,-0.2 -0.999 24.8-123.6-129.7 133.6 -21.5 -57.2 -24.5 1280 95 D H E > -F 1261 0M 15 5,-2.7 4,-1.4 -2,-0.4 -19,-0.2 -0.567 18.4-143.2 -71.9 138.3 -25.2 -57.9 -25.0 1281 96 D K T 4 S+ 0 0 111 -21,-2.4 -1,-0.1 -2,-0.2 -20,-0.1 0.931 93.0 36.5 -73.1 -51.5 -26.0 -61.5 -24.3 1282 97 D S T 4 S+ 0 0 83 -22,-0.3 -1,-0.1 1,-0.1 -21,-0.0 0.998 131.8 28.3 -59.6 -65.7 -28.7 -62.2 -27.0 1283 98 D T T 4 S- 0 0 59 1,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.675 90.1-143.3 -77.7 -22.8 -27.2 -60.0 -29.7 1284 99 D R < + 0 0 145 -4,-1.4 -3,-0.1 1,-0.2 -1,-0.1 0.426 46.8 147.7 76.0 -2.7 -23.5 -60.3 -28.7 1285 100 D K - 0 0 123 -6,-0.1 -5,-2.7 1,-0.1 2,-0.4 -0.322 44.3-124.7 -68.5 151.7 -22.9 -56.6 -29.7 1286 101 D V E +H 1279 0M 28 -7,-0.2 54,-0.5 54,-0.0 2,-0.3 -0.791 35.9 161.4-105.0 137.9 -20.3 -54.6 -27.8 1287 102 D Y E -HI12781339M 19 -9,-2.3 -9,-2.8 -2,-0.4 2,-0.5 -0.921 40.8-113.7-143.9 165.6 -20.9 -51.2 -26.1 1288 103 D A E -HI12771338M 10 50,-2.6 50,-3.8 -2,-0.3 2,-0.5 -0.932 36.1-163.9 -98.8 132.1 -19.8 -48.7 -23.5 1289 104 D M E -HI12761337M 5 -13,-2.8 -13,-2.7 -2,-0.5 2,-0.4 -0.962 6.8-152.2-125.9 122.9 -22.2 -48.5 -20.6 1290 105 D K E -HI12751336M 25 46,-2.4 46,-2.2 -2,-0.5 2,-0.5 -0.766 8.1-155.8 -95.5 132.8 -22.4 -45.7 -18.1 1291 106 D L E - I 01335M 18 -17,-3.3 2,-0.4 -2,-0.4 -17,-0.3 -0.918 6.6-169.7-106.7 132.5 -23.7 -46.3 -14.6 1292 107 D L E - I 01334M 14 42,-2.5 42,-2.5 -2,-0.5 2,-0.6 -0.989 21.1-130.9-120.6 129.0 -25.1 -43.6 -12.5 1293 108 D S E > - I 01333M 17 -21,-3.2 4,-2.3 -2,-0.4 40,-0.2 -0.642 10.4-162.9 -84.8 117.2 -25.8 -44.3 -8.8 1294 109 D K H > S+ 0 0 3 38,-2.5 4,-2.3 -2,-0.6 5,-0.3 0.879 91.2 56.9 -63.1 -37.1 -29.2 -43.2 -7.6 1295 110 D F H > S+ 0 0 34 37,-0.6 4,-2.8 1,-0.2 -1,-0.2 0.966 110.9 42.3 -58.5 -51.8 -28.1 -43.4 -3.9 1296 111 D E H > S+ 0 0 28 1,-0.2 4,-2.5 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