==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 17-SEP-10 3OW3 . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR F.DIZON,W.WU,G.P.A.VIGERS,B.J.BRANDHUBER . 355 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16639.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 218 61.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 20 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 98 27.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 2 1 2 0 1 0 2 0 0 1 0 0 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 3 1 1 0 1 0 3 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 . 1 0 1 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 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 15 A V > 0 0 105 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -34.7 25.9 15.8 17.5 2 16 A K H > + 0 0 183 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.908 360.0 43.4 -66.3 -41.9 25.1 12.0 17.8 3 17 A E H > S+ 0 0 151 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.873 111.8 54.8 -71.1 -38.3 27.8 11.3 20.4 4 18 A F H > S+ 0 0 88 1,-0.2 4,-2.1 2,-0.2 -2,-0.2 0.958 111.9 43.3 -54.6 -52.8 26.9 14.4 22.4 5 19 A L H X S+ 0 0 26 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.823 108.6 59.7 -67.2 -30.8 23.2 13.3 22.6 6 20 A A H X S+ 0 0 50 -4,-1.6 4,-1.7 2,-0.2 -1,-0.2 0.929 110.5 40.2 -64.4 -47.3 24.1 9.7 23.4 7 21 A K H X S+ 0 0 104 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.853 112.2 57.2 -69.8 -36.9 26.0 10.8 26.6 8 22 A A H X S+ 0 0 9 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.886 106.1 51.0 -57.5 -41.9 23.3 13.4 27.4 9 23 A K H X S+ 0 0 60 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.901 108.1 50.2 -64.6 -41.1 20.8 10.5 27.3 10 24 A E H X S+ 0 0 112 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.950 113.5 48.0 -63.2 -44.5 22.8 8.3 29.8 11 25 A D H X S+ 0 0 88 -4,-2.4 4,-1.3 1,-0.2 -2,-0.2 0.917 114.1 45.5 -59.5 -47.4 23.1 11.4 32.1 12 26 A F H X S+ 0 0 1 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.918 110.4 53.0 -62.2 -45.6 19.3 12.1 31.8 13 27 A L H X S+ 0 0 48 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.814 102.8 56.5 -66.5 -34.1 18.2 8.5 32.4 14 28 A K H X S+ 0 0 133 -4,-1.7 4,-1.5 -5,-0.2 -1,-0.2 0.907 115.1 39.5 -60.1 -43.4 20.2 8.0 35.6 15 29 A K H < S+ 0 0 111 -4,-1.3 -2,-0.2 68,-0.2 -1,-0.2 0.877 113.1 54.5 -74.4 -38.4 18.4 11.0 37.1 16 30 A W H < S+ 0 0 36 -4,-2.8 -2,-0.2 67,-0.2 -1,-0.2 0.890 111.9 46.2 -55.5 -43.7 15.0 10.0 35.5 17 31 A E H < S+ 0 0 138 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.812 127.6 24.8 -73.7 -33.5 15.3 6.5 37.2 18 32 A T S < S- 0 0 116 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.1 -0.730 87.8-158.8-131.7 82.2 16.4 7.9 40.6 19 33 A P - 0 0 43 0, 0.0 2,-0.1 0, 0.0 -3,-0.1 -0.279 21.1-108.8 -68.8 148.9 15.1 11.4 41.0 20 34 A S - 0 0 51 59,-0.1 2,-0.3 62,-0.1 62,-0.1 -0.439 43.6-176.5 -56.2 143.0 16.4 14.0 43.5 21 35 A Q + 0 0 95 -2,-0.1 75,-0.1 1,-0.1 315,-0.1 -0.999 49.3 3.9-146.9 144.1 13.9 14.7 46.4 22 36 A N + 0 0 118 -2,-0.3 74,-0.2 1,-0.1 -1,-0.1 0.910 63.9 157.9 58.3 54.2 13.7 17.0 49.4 23 37 A T + 0 0 61 72,-2.4 2,-0.3 -3,-0.1 73,-0.2 0.321 62.6 4.0-100.9 3.1 16.8 19.0 48.7 24 38 A A - 0 0 5 71,-0.6 2,-0.3 70,-0.0 3,-0.0 -0.922 66.0-130.4-160.5-174.3 15.8 22.2 50.8 25 39 A Q > - 0 0 100 -2,-0.3 3,-2.0 71,-0.1 4,-0.2 -0.966 29.5-105.9-150.3 159.7 13.1 23.5 53.1 26 40 A L G > S+ 0 0 57 1,-0.3 3,-1.9 -2,-0.3 -1,-0.1 0.860 113.1 60.1 -59.9 -38.2 11.0 26.7 53.2 27 41 A D G 3 S+ 0 0 99 1,-0.3 -1,-0.3 -3,-0.0 22,-0.0 0.507 89.0 74.4 -79.3 3.3 12.7 28.2 56.3 28 42 A Q G < S+ 0 0 66 -3,-2.0 21,-2.7 21,-0.1 22,-0.4 0.509 97.9 55.2 -80.4 -2.6 16.1 28.2 54.3 29 43 A F E < S-A 48 0A 11 -3,-1.9 2,-0.5 19,-0.3 19,-0.2 -0.941 70.2-141.9-132.0 148.5 14.7 31.2 52.2 30 44 A D E -A 47 0A 84 17,-2.5 17,-2.6 -2,-0.3 2,-0.3 -0.962 29.4-130.9-106.2 125.8 13.3 34.7 52.9 31 45 A R E +A 46 0A 94 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.562 31.4 171.6 -80.2 138.0 10.5 35.5 50.4 32 46 A I E - 0 0 81 13,-3.0 2,-0.3 1,-0.3 14,-0.2 0.819 50.3 -23.9-113.7 -52.5 10.9 38.9 48.7 33 47 A K E -A 45 0A 44 12,-1.3 12,-3.4 282,-0.0 2,-0.4 -0.984 59.4 -96.9-163.7 146.5 8.4 39.5 45.9 34 48 A T E +A 44 0A 1 -2,-0.3 282,-0.3 282,-0.3 10,-0.3 -0.669 29.8 178.7 -72.4 127.6 6.0 37.8 43.3 35 49 A L E - 0 0 8 8,-2.4 2,-0.3 -2,-0.4 279,-0.3 0.563 66.6 -12.7-100.6 -17.9 7.7 37.6 39.9 36 50 A G E -A 43 0A 7 7,-1.3 7,-2.6 277,-0.1 -1,-0.4 -0.967 62.2-141.1 178.8 166.2 4.7 35.8 38.2 37 51 A T E +A 42 0A 95 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.861 14.5 165.7-146.7 167.3 1.5 34.0 38.7 38 52 A G - 0 0 39 3,-1.2 3,-0.4 -2,-0.3 315,-0.0 -0.940 51.0 -81.5-170.0 178.8 -1.0 31.1 37.7 39 53 A S S S+ 0 0 70 -2,-0.2 3,-0.0 1,-0.2 29,-0.0 0.777 120.6 43.7 -68.6 -33.9 -4.1 29.1 38.8 40 54 A F S S- 0 0 36 24,-0.1 21,-3.8 25,-0.0 2,-0.3 0.396 127.7 -62.5-103.5 6.5 -2.3 26.7 41.2 41 55 A G E - B 0 60A 16 -3,-0.4 -3,-1.2 19,-0.3 2,-0.3 -0.893 62.7 -87.9 162.7-116.0 -0.1 29.1 43.0 42 56 A R E -AB 37 59A 45 17,-2.5 17,-3.9 -2,-0.3 2,-0.4 -0.987 17.7-107.0-178.2 166.6 2.8 31.4 42.1 43 57 A V E -AB 36 58A 40 -7,-2.6 -8,-2.4 -2,-0.3 -7,-1.3 -0.964 35.7-170.8-115.6 127.4 6.6 32.2 41.5 44 58 A M E -AB 34 57A 0 13,-2.1 13,-2.9 -2,-0.4 2,-0.4 -0.949 27.2-122.3-119.9 144.1 8.4 34.4 44.1 45 59 A L E +AB 33 56A 0 -12,-3.4 -13,-3.0 -2,-0.4 -12,-1.3 -0.699 44.4 178.9 -74.7 126.9 11.8 36.0 44.2 46 60 A V E -AB 31 55A 1 9,-2.8 9,-2.2 -2,-0.4 2,-0.5 -0.948 27.5-137.7-127.7 159.4 13.5 34.5 47.3 47 61 A K E -AB 30 54A 76 -17,-2.6 -17,-2.5 -2,-0.3 2,-0.5 -0.971 20.0-134.7-115.6 127.2 16.9 34.9 49.0 48 62 A H E > -A 29 0A 25 5,-3.0 4,-2.3 -2,-0.5 3,-0.3 -0.693 17.5-143.9 -82.2 124.0 18.5 31.7 50.3 49 63 A K T 4 S+ 0 0 107 -21,-2.7 -1,-0.1 -2,-0.5 -20,-0.1 0.905 89.3 44.1 -61.0 -50.7 19.8 32.6 53.8 50 64 A E T 4 S+ 0 0 180 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.767 127.0 28.3 -72.2 -26.4 23.1 30.6 54.1 51 65 A S T 4 S- 0 0 59 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.632 92.7-134.8-101.8 -23.0 24.5 31.5 50.6 52 66 A G < + 0 0 30 -4,-2.3 -3,-0.1 1,-0.2 2,-0.1 0.422 56.3 143.4 75.4 1.3 22.8 34.9 50.1 53 67 A N - 0 0 82 -5,-0.2 -5,-3.0 -6,-0.1 2,-0.3 -0.450 48.2-127.1 -75.0 147.2 21.8 33.8 46.5 54 68 A H E +B 47 0A 33 -7,-0.2 54,-0.7 -2,-0.1 2,-0.3 -0.708 31.0 175.4 -89.5 145.9 18.5 34.8 44.8 55 69 A Y E -BC 46 107A 21 -9,-2.2 -9,-2.8 -2,-0.3 2,-0.7 -0.920 34.2-118.5-141.3 164.1 16.2 32.2 43.3 56 70 A A E -BC 45 106A 12 50,-2.5 50,-2.9 -2,-0.3 2,-0.7 -0.958 31.9-157.4-107.9 116.0 12.7 32.0 41.7 57 71 A M E -BC 44 105A 4 -13,-2.9 -13,-2.1 -2,-0.7 2,-0.6 -0.828 3.5-155.7 -99.0 109.5 10.6 29.8 43.9 58 72 A K E -BC 43 104A 25 46,-3.3 46,-2.4 -2,-0.7 2,-0.5 -0.793 13.1-164.8 -86.3 125.0 7.6 28.3 42.2 59 73 A I E -BC 42 103A 3 -17,-3.9 -17,-2.5 -2,-0.6 2,-0.5 -0.948 4.3-169.3-114.6 121.0 5.0 27.4 44.9 60 74 A L E -BC 41 102A 5 42,-3.2 42,-2.2 -2,-0.5 2,-0.5 -0.948 20.6-134.7-113.4 129.1 2.1 25.1 44.0 61 75 A D E > - C 0 101A 36 -21,-3.8 4,-2.3 -2,-0.5 3,-0.4 -0.679 14.3-148.1 -78.9 117.1 -0.9 24.6 46.3 62 76 A K H > S+ 0 0 3 38,-2.4 4,-2.4 -2,-0.5 5,-0.2 0.877 96.6 53.6 -56.1 -42.2 -1.4 20.8 46.3 63 77 A Q H > S+ 0 0 103 37,-0.5 4,-2.0 2,-0.2 -1,-0.2 0.881 110.2 46.6 -61.0 -36.8 -5.2 21.2 46.8 64 78 A K H > S+ 0 0 103 -3,-0.4 4,-2.4 -24,-0.2 -2,-0.2 0.898 109.5 54.4 -70.9 -37.3 -5.4 23.5 43.7 65 79 A V H <>S+ 0 0 0 -4,-2.3 5,-3.0 -25,-0.3 6,-0.3 0.934 110.9 46.1 -55.7 -51.9 -3.2 21.1 41.7 66 80 A V H ><5S+ 0 0 52 -4,-2.4 3,-1.7 3,-0.2 -2,-0.2 0.925 111.1 52.8 -58.9 -46.5 -5.7 18.3 42.6 67 81 A K H 3<5S+ 0 0 171 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.903 111.2 44.9 -57.4 -43.7 -8.8 20.5 41.7 68 82 A L T 3<5S- 0 0 52 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.311 114.4-120.6 -83.5 6.4 -7.4 21.3 38.2 69 83 A K T < 5S+ 0 0 179 -3,-1.7 -3,-0.2 -5,-0.1 4,-0.2 0.867 72.1 133.0 59.4 41.9 -6.5 17.6 37.8 70 84 A Q >< + 0 0 8 -5,-3.0 4,-2.3 -6,-0.2 5,-0.2 0.035 25.0 114.6-106.2 22.8 -2.8 18.3 37.3 71 85 A I H > S+ 0 0 48 -6,-0.3 4,-2.3 1,-0.2 5,-0.2 0.989 82.6 36.9 -58.7 -59.5 -1.4 15.7 39.7 72 86 A E H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.866 116.8 52.8 -63.2 -38.0 0.4 13.5 37.1 73 87 A H H > S+ 0 0 17 2,-0.2 4,-2.7 -4,-0.2 -1,-0.2 0.896 109.2 50.0 -64.7 -39.0 1.5 16.6 35.1 74 88 A T H X S+ 0 0 2 -4,-2.3 4,-2.0 2,-0.2 5,-0.2 0.914 110.9 48.6 -66.3 -38.9 3.1 18.2 38.2 75 89 A L H X S+ 0 0 12 -4,-2.3 4,-2.4 -5,-0.2 5,-0.2 0.910 112.2 50.7 -65.7 -38.8 4.9 14.9 39.0 76 90 A N H X S+ 0 0 17 -4,-2.3 4,-2.7 -5,-0.2 5,-0.4 0.923 108.3 53.2 -58.9 -52.2 6.1 15.0 35.3 77 91 A E H X S+ 0 0 3 -4,-2.7 4,-2.6 95,-0.3 -2,-0.2 0.928 114.9 38.1 -51.7 -48.4 7.3 18.6 35.6 78 92 A K H X S+ 0 0 5 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.905 115.3 51.3 -78.1 -39.5 9.5 18.0 38.6 79 93 A R H X S+ 0 0 68 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.2 0.937 117.0 41.8 -64.3 -42.1 10.8 14.5 37.5 80 94 A I H >X S+ 0 0 0 -4,-2.7 3,-1.6 -5,-0.2 4,-1.2 0.963 113.4 51.1 -69.1 -49.0 11.8 15.9 34.1 81 95 A L H >< S+ 0 0 6 -4,-2.6 3,-0.6 -5,-0.4 11,-0.5 0.897 107.0 52.0 -61.8 -41.6 13.2 19.1 35.3 82 96 A Q H 3< S+ 0 0 21 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.677 114.1 47.4 -63.2 -18.4 15.5 17.6 38.0 83 97 A A H << S+ 0 0 4 -3,-1.6 -68,-0.2 -4,-0.5 -1,-0.2 0.609 95.1 82.9 -97.0 -20.3 16.9 15.3 35.2 84 98 A V << - 0 0 15 -4,-1.2 2,-0.3 -3,-0.6 59,-0.0 -0.447 46.0-176.7 -92.0 164.5 17.6 17.6 32.2 85 99 A N + 0 0 108 -2,-0.1 -73,-0.1 6,-0.1 5,-0.1 -0.796 21.8 137.3-163.5 106.1 20.7 19.8 31.6 86 100 A F > - 0 0 11 3,-0.3 3,-2.0 -2,-0.3 53,-0.0 -0.961 57.8-113.8-153.0 148.9 20.9 22.1 28.5 87 101 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 48,-0.0 0.789 115.1 46.1 -59.4 -27.7 22.3 25.7 28.3 88 102 A F T 3 S+ 0 0 0 47,-0.1 80,-2.9 79,-0.1 2,-0.5 0.106 95.2 88.3-104.4 17.2 18.8 27.1 27.4 89 103 A L B < S-e 168 0B 5 -3,-2.0 -3,-0.3 78,-0.2 80,-0.1 -0.981 81.9-117.5-111.4 134.4 16.8 25.3 30.1 90 104 A V - 0 0 3 78,-2.2 2,-0.4 -2,-0.5 -2,-0.1 -0.352 33.6-119.1 -62.6 140.9 16.4 26.8 33.5 91 105 A K - 0 0 108 -6,-0.0 16,-1.5 -2,-0.0 2,-0.7 -0.733 7.6-135.9 -87.4 138.0 17.9 24.7 36.2 92 106 A L E +D 106 0A 28 -11,-0.5 14,-0.3 -2,-0.4 3,-0.1 -0.787 26.0 179.3 -83.7 113.9 15.9 23.3 39.1 93 107 A E E - 0 0 64 12,-3.0 2,-0.3 -2,-0.7 13,-0.2 0.875 61.8 -1.6 -88.6 -37.8 18.2 24.1 42.1 94 108 A F E -D 105 0A 39 11,-1.9 11,-3.4 2,-0.0 2,-0.3 -0.988 57.6-169.7-145.9 161.5 16.0 22.6 44.8 95 109 A S E +D 104 0A 1 -2,-0.3 -72,-2.4 9,-0.2 -71,-0.6 -0.989 18.9 139.5-149.9 149.5 12.7 21.0 45.4 96 110 A F E -D 103 0A 6 7,-1.8 7,-2.9 -2,-0.3 2,-0.3 -0.975 27.9-137.5-169.5-179.9 10.7 20.1 48.4 97 111 A K E -D 102 0A 65 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.965 9.0-169.6-147.1 162.0 7.1 19.9 49.8 98 112 A D - 0 0 36 3,-2.5 230,-0.2 -2,-0.3 226,-0.0 -0.671 54.6 -68.6-138.9-167.0 5.4 20.7 53.1 99 113 A N S S+ 0 0 52 225,-0.2 229,-2.6 -2,-0.2 226,-0.1 0.844 130.2 19.8 -55.5 -30.8 1.8 20.0 54.4 100 114 A S S S+ 0 0 10 227,-0.2 -38,-2.4 224,-0.1 -37,-0.5 0.773 118.6 40.2-110.2 -36.9 0.2 22.4 51.9 101 115 A N E -C 61 0A 6 -40,-0.2 -3,-2.5 -39,-0.1 2,-0.4 -0.769 54.8-135.8-129.0 161.0 2.5 23.1 48.9 102 116 A L E -CD 60 97A 1 -42,-2.2 -42,-3.2 -2,-0.3 2,-0.4 -0.932 28.0-156.1-108.7 144.4 5.0 21.8 46.4 103 117 A Y E +CD 59 96A 0 -7,-2.9 -7,-1.8 -2,-0.4 2,-0.4 -0.978 18.3 179.6-128.9 130.4 8.2 23.9 45.8 104 118 A M E -CD 58 95A 2 -46,-2.4 -46,-3.3 -2,-0.4 2,-0.6 -0.988 14.9-161.6-126.0 118.0 10.5 24.1 42.8 105 119 A V E +CD 57 94A 0 -11,-3.4 -12,-3.0 -2,-0.4 -11,-1.9 -0.894 16.3 177.8-108.0 115.1 13.4 26.6 43.3 106 120 A M E -CD 56 92A 8 -50,-2.9 -50,-2.5 -2,-0.6 -14,-0.2 -0.743 40.4 -79.8-109.2 165.8 15.1 27.6 40.1 107 121 A E E -C 55 0A 53 -16,-1.5 2,-0.4 -2,-0.3 -52,-0.2 -0.397 52.9-114.3 -62.6 139.9 17.8 30.0 39.2 108 122 A Y - 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0 0 19 -3,-2.0 3,-1.4 1,-0.3 -5,-0.8 -0.241 63.9 -0.2 55.6-133.1 14.2 15.5 11.3 274 288 A V T >> S+ 0 0 19 1,-0.3 4,-2.3 -6,-0.2 3,-0.8 0.716 120.4 74.7 -66.2 -22.9 15.6 18.7 12.8 275 289 A N H <> S+ 0 0 68 -3,-1.7 4,-2.3 1,-0.3 -1,-0.3 0.819 83.5 65.5 -68.2 -23.6 18.1 19.2 9.9 276 290 A D H <4 S+ 0 0 35 -3,-1.4 -1,-0.3 2,-0.2 4,-0.2 0.878 110.8 39.7 -56.3 -39.7 15.3 20.4 7.5 277 291 A I H X4 S+ 0 0 0 -3,-0.8 3,-1.7 -4,-0.5 6,-0.3 0.965 115.1 49.6 -73.5 -50.9 15.0 23.3 10.0 278 292 A K H 3< S+ 0 0 22 -4,-2.3 -2,-0.2 1,-0.3 -3,-0.2 0.831 115.6 44.5 -58.4 -33.7 18.8 23.9 10.6 279 293 A N T 3< S+ 0 0 125 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.354 85.2 121.2 -95.3 2.3 19.5 23.9 6.9 280 294 A H S X S- 0 0 18 -3,-1.7 3,-1.7 -4,-0.2 4,-0.1 -0.374 74.7-116.7 -65.4 144.6 16.6 26.1 5.8 281 295 A K G > S+ 0 0 154 1,-0.3 3,-1.7 2,-0.2 4,-0.3 0.794 113.6 64.0 -48.9 -40.8 17.6 29.4 4.0 282 296 A W G 3 S+ 0 0 1 -32,-0.4 3,-0.3 1,-0.3 -1,-0.3 0.844 106.2 44.4 -54.2 -35.8 16.2 31.5 6.8 283 297 A F G X S+ 0 0 2 -3,-1.7 3,-2.0 -6,-0.3 -1,-0.3 0.236 79.0 113.7 -91.3 12.5 18.8 30.0 9.1 284 298 A A T < S+ 0 0 85 -3,-1.7 -1,-0.2 1,-0.3 -2,-0.1 0.874 78.5 47.4 -55.1 -38.4 21.8 30.3 6.6 285 299 A T T 3 S+ 0 0 115 -3,-0.3 2,-0.5 -4,-0.3 -1,-0.3 0.527 89.5 110.6 -82.6 -4.8 23.6 32.9 8.8 286 300 A T < - 0 0 23 -3,-2.0 2,-0.9 -8,-0.1 3,-0.1 -0.611 55.3-157.8 -77.9 122.1 23.2 30.8 11.9 287 301 A D > - 0 0 93 -2,-0.5 4,-2.1 1,-0.2 5,-0.2 -0.855 12.4-166.7 -96.1 97.3 26.3 29.2 13.4 288 302 A W H > S+ 0 0 32 -2,-0.9 4,-2.1 1,-0.2 -1,-0.2 0.854 83.9 47.2 -62.5 -40.2 24.6 26.4 15.3 289 303 A I H > S+ 0 0 102 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.910 110.5 52.6 -66.4 -38.6 27.6 25.4 17.4 290 304 A A H 4>S+ 0 0 5 1,-0.2 5,-2.6 2,-0.2 6,-0.8 0.865 109.8 49.0 -68.3 -33.9 28.4 29.1 18.3 291 305 A I H ><5S+ 0 0 5 -4,-2.1 3,-1.6 2,-0.2 -1,-0.2 0.955 110.6 50.3 -65.6 -51.3 24.8 29.5 19.5 292 306 A Y H 3<5S+ 0 0 78 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.906 114.2 46.4 -48.7 -43.4 25.1 26.2 21.6 293 307 A Q T 3<5S- 0 0 111 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.487 110.8-124.7 -81.4 -4.9 28.4 27.7 23.0 294 308 A R T < 5S+ 0 0 49 -3,-1.6 -3,-0.2 -4,-0.4 -2,-0.1 0.817 73.6 127.8 62.4 32.8 26.7 31.2 23.7 295 309 A K < + 0 0 144 -5,-2.6 2,-0.3 -6,-0.2 -4,-0.2 0.529 40.2 96.8 -91.0 -10.2 29.5 32.8 21.5 296 310 A V S S- 0 0 48 -6,-0.8 2,-0.3 -9,-0.1 0, 0.0 -0.623 84.9-115.0 -82.0 133.8 27.0 34.7 19.3 297 311 A E - 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