==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 29-MAR-04 1VEB . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.B.BREITENLECHNER,T.WEGGE,L.BERILLON,K.GRAUL,K.MARZENELL, . 361 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16460.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 233 64.5 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 . 47 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 28.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.4 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 1 1 1 0 2 0 0 1 0 0 1 0 0 0 1 1 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 2 1 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 10 A X > 0 0 234 0, 0.0 4,-0.9 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -24.6 -8.2 -20.2 -14.6 2 11 A E H > + 0 0 82 2,-0.2 4,-1.1 1,-0.1 5,-0.1 0.775 360.0 55.4 -69.8 -29.7 -7.1 -18.0 -11.7 3 12 A Q H > S+ 0 0 116 1,-0.2 4,-1.6 2,-0.2 3,-0.4 0.924 105.8 49.8 -70.4 -43.8 -3.9 -17.4 -13.7 4 13 A E H > S+ 0 0 125 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.793 103.8 60.9 -61.3 -30.0 -6.0 -16.2 -16.6 5 14 A S H X S+ 0 0 73 -4,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.828 106.5 45.4 -66.8 -36.6 -8.0 -13.8 -14.2 6 15 A V H X S+ 0 0 39 -4,-1.1 4,-2.8 -3,-0.4 5,-0.2 0.873 108.2 58.0 -68.2 -42.2 -4.7 -12.0 -13.4 7 16 A K H < S+ 0 0 89 -4,-1.6 4,-0.4 1,-0.2 -2,-0.2 0.879 109.7 44.2 -58.3 -46.0 -3.8 -11.8 -17.1 8 17 A E H >X S+ 0 0 144 -4,-1.7 4,-2.1 2,-0.2 3,-1.1 0.916 112.3 52.6 -61.6 -49.0 -7.0 -10.0 -17.8 9 18 A F H 3X S+ 0 0 74 -4,-1.6 4,-2.2 1,-0.3 -2,-0.2 0.904 110.8 45.9 -59.2 -44.0 -6.6 -7.7 -14.8 10 19 A L H 3X S+ 0 0 26 -4,-2.8 4,-1.0 1,-0.2 -1,-0.3 0.524 109.4 56.5 -79.8 -9.3 -3.1 -6.6 -15.8 11 20 A A H <> S+ 0 0 58 -3,-1.1 4,-0.7 -4,-0.4 -1,-0.2 0.854 112.1 39.5 -83.3 -45.7 -4.2 -6.0 -19.3 12 21 A K H X S+ 0 0 57 -4,-2.1 4,-1.5 1,-0.2 3,-0.4 0.863 115.7 57.0 -66.0 -35.2 -6.9 -3.6 -18.4 13 22 A A H X S+ 0 0 9 -4,-2.2 4,-1.7 -5,-0.3 -1,-0.2 0.870 104.3 49.1 -59.3 -46.5 -4.4 -2.3 -15.8 14 23 A K H X S+ 0 0 56 -4,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.598 105.6 59.1 -73.7 -17.6 -1.7 -1.5 -18.4 15 24 A E H X S+ 0 0 134 -4,-0.7 4,-1.3 -3,-0.4 -1,-0.2 0.879 106.4 47.0 -75.4 -40.8 -4.3 0.3 -20.5 16 25 A D H >X S+ 0 0 83 -4,-1.5 4,-1.5 2,-0.2 3,-0.5 0.955 110.5 52.9 -59.8 -51.5 -5.0 2.7 -17.7 17 26 A F H 3X S+ 0 0 1 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.859 106.7 52.6 -55.4 -41.3 -1.2 3.3 -17.0 18 27 A L H 3X S+ 0 0 60 -4,-1.2 4,-2.3 1,-0.2 5,-0.3 0.854 102.8 56.1 -70.1 -35.2 -0.5 4.2 -20.6 19 28 A K H - 0 0 94 -2,-0.3 3,-1.4 71,-0.1 4,-0.1 -0.968 25.4-116.0-148.0 155.7 -0.4 25.4 -5.1 31 40 A L G > S+ 0 0 13 -2,-0.3 3,-1.1 1,-0.3 -1,-0.1 0.811 110.6 62.2 -65.7 -27.6 1.8 25.9 -2.0 32 41 A D G 3 S+ 0 0 113 1,-0.2 -1,-0.3 3,-0.0 22,-0.0 0.528 90.2 68.3 -78.4 -6.2 -0.6 28.3 -0.4 33 42 A Q G < S+ 0 0 50 -3,-1.4 21,-2.2 21,-0.1 22,-0.4 0.315 94.5 67.5 -90.4 5.6 -3.4 25.6 -0.2 34 43 A F E < -A 53 0A 7 -3,-1.1 2,-0.5 19,-0.2 19,-0.2 -0.988 67.8-147.8-136.5 134.0 -1.5 23.6 2.4 35 44 A E E -A 52 0A 84 17,-2.1 17,-1.7 -2,-0.4 2,-0.4 -0.931 27.0-138.7-103.2 124.0 -0.6 24.4 6.0 36 45 A R E +A 51 0A 92 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.761 30.3 167.0 -97.8 130.6 2.7 22.7 6.7 37 46 A I E - 0 0 70 13,-2.3 2,-0.3 -2,-0.4 -1,-0.2 0.899 50.4 -12.6-108.9 -60.1 3.0 21.0 10.1 38 47 A K E -A 50 0A 37 12,-0.8 12,-3.4 285,-0.0 2,-0.4 -0.992 59.9-105.8-156.6 148.2 5.9 18.6 10.6 39 48 A T E -A 49 0A 0 -2,-0.3 282,-0.4 282,-0.3 10,-0.3 -0.700 23.3-176.2 -87.2 130.3 8.7 16.8 8.8 40 49 A L E - 0 0 9 8,-3.4 2,-0.3 -2,-0.4 279,-0.3 0.539 65.6 -28.9 -98.9 -15.6 8.2 13.0 8.3 41 50 A G E -A 48 0A 11 7,-1.2 7,-2.3 277,-0.1 -1,-0.3 -0.947 57.8-133.7 175.5 174.0 11.6 12.2 6.6 42 51 A T E -A 47 0A 90 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.753 11.7-171.6-138.3-179.8 14.3 13.6 4.5 43 52 A G E > -A 46 0A 47 3,-1.7 3,-1.2 -2,-0.2 315,-0.0 -0.959 49.3 -72.7-165.4 177.0 16.5 12.9 1.5 44 53 A S T 3 S+ 0 0 79 -2,-0.3 -1,-0.0 1,-0.3 3,-0.0 0.862 127.4 21.6 -55.6 -38.9 19.4 14.2 -0.6 45 54 A F T 3 S- 0 0 22 -3,-0.0 21,-2.8 25,-0.0 2,-0.3 0.031 127.4 -24.5-127.1 42.6 17.4 17.0 -2.1 46 55 A G E < -AB 43 65A 21 -3,-1.2 -3,-1.7 19,-0.3 2,-0.3 -0.998 60.8 -98.1 160.0-157.0 14.4 17.8 0.1 47 56 A R E -AB 42 64A 29 17,-1.6 17,-2.0 -2,-0.3 2,-0.5 -0.960 18.0-120.3-151.0 165.4 12.0 16.5 2.7 48 57 A V E -AB 41 63A 26 -7,-2.3 -8,-3.4 -2,-0.3 -7,-1.2 -0.986 34.2-172.2-115.2 126.8 8.5 15.1 3.2 49 58 A M E -AB 39 62A 9 13,-2.1 13,-2.5 -2,-0.5 2,-0.3 -0.808 28.4-115.0-118.3 150.1 6.1 17.0 5.5 50 59 A L E -AB 38 61A 0 -12,-3.4 -13,-2.3 -2,-0.3 -12,-0.8 -0.695 46.1-179.5 -77.4 137.4 2.7 16.5 7.0 51 60 A V E -AB 36 60A 0 9,-2.2 9,-1.3 -2,-0.3 2,-0.4 -0.887 26.4-137.4-136.9 166.3 0.3 19.0 5.5 52 61 A K E -AB 35 59A 68 -17,-1.7 -17,-2.1 -2,-0.3 2,-0.6 -0.984 17.8-136.1-127.8 119.3 -3.3 20.2 5.7 53 62 A H E > -A 34 0A 8 5,-2.7 4,-2.4 -2,-0.4 -19,-0.2 -0.648 19.6-150.6 -70.1 115.3 -5.3 21.1 2.6 54 63 A M T 4 S+ 0 0 123 -21,-2.2 -1,-0.2 -2,-0.6 -20,-0.1 0.829 89.3 43.3 -70.0 -31.2 -7.0 24.3 3.9 55 64 A E T 4 S+ 0 0 131 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.781 123.9 32.4 -86.7 -25.7 -10.1 24.0 1.8 56 65 A T T 4 S- 0 0 72 2,-0.2 -2,-0.2 -3,-0.1 -1,-0.1 0.642 93.4-133.7 -98.1 -17.9 -10.8 20.1 2.2 57 66 A G < + 0 0 42 -4,-2.4 -3,-0.1 1,-0.3 2,-0.1 0.219 59.8 135.7 84.8 -11.9 -9.5 19.7 5.8 58 67 A N - 0 0 85 -5,-0.1 -5,-2.7 -6,-0.1 2,-0.3 -0.288 52.1-125.8 -74.3 149.9 -7.6 16.6 4.7 59 68 A H E +B 52 0A 48 -7,-0.2 54,-0.8 -3,-0.1 2,-0.3 -0.742 31.9 166.9 -97.3 144.1 -4.0 15.5 5.6 60 69 A Y E -BC 51 112A 20 -9,-1.3 -9,-2.2 -2,-0.3 2,-0.5 -0.871 34.5-118.6-142.8 166.9 -1.4 14.6 3.0 61 70 A A E -BC 50 111A 8 50,-2.9 50,-3.2 -2,-0.3 2,-0.6 -0.986 29.3-156.7-120.6 126.6 2.3 14.1 2.9 62 71 A M E -BC 49 110A 0 -13,-2.5 -13,-2.1 -2,-0.5 2,-0.3 -0.871 5.7-151.9-114.9 119.3 4.2 16.5 0.6 63 72 A K E -BC 48 109A 26 46,-3.1 46,-1.6 -2,-0.6 2,-0.4 -0.671 13.3-166.2 -85.8 144.9 7.6 15.8 -0.9 64 73 A I E -BC 47 108A 8 -17,-2.0 -17,-1.6 -2,-0.3 2,-0.4 -0.976 3.9-172.0-138.8 116.8 9.6 18.9 -1.6 65 74 A L E -BC 46 107A 13 42,-2.0 42,-1.9 -2,-0.4 2,-0.5 -0.946 25.1-126.0-117.5 129.8 12.7 18.8 -3.8 66 75 A D E > - C 0 106A 40 -21,-2.8 4,-1.9 -2,-0.4 40,-0.2 -0.589 16.5-154.1 -71.8 118.6 15.2 21.6 -4.4 67 76 A K H > S+ 0 0 3 38,-2.7 4,-1.6 -2,-0.5 -1,-0.2 0.888 93.3 49.3 -62.0 -42.5 15.4 22.1 -8.2 68 77 A Q H > S+ 0 0 95 37,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.922 110.3 50.3 -63.7 -43.9 18.9 23.5 -8.0 69 78 A K H > S+ 0 0 93 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.884 106.3 55.7 -62.3 -38.5 20.2 20.7 -5.8 70 79 A V H <>S+ 0 0 0 -4,-1.9 5,-2.6 1,-0.2 3,-0.2 0.925 109.1 47.5 -61.8 -41.6 18.8 18.0 -8.1 71 80 A V H ><5S+ 0 0 45 -4,-1.6 3,-1.3 3,-0.2 -1,-0.2 0.837 103.7 60.8 -66.8 -37.0 20.7 19.5 -11.1 72 81 A K H 3<5S+ 0 0 184 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.875 110.0 40.8 -61.6 -38.9 24.0 19.7 -9.2 73 82 A L T 3<5S- 0 0 72 -4,-1.4 -1,-0.3 -3,-0.2 -2,-0.2 0.268 114.5-117.4 -92.7 9.2 24.1 15.9 -8.6 74 83 A K T < 5S+ 0 0 166 -3,-1.3 3,-0.2 -5,-0.1 -3,-0.2 0.855 71.5 135.2 60.4 41.1 22.9 15.2 -12.1 75 84 A Q >< + 0 0 6 -5,-2.6 4,-1.7 -6,-0.2 5,-0.2 0.036 21.3 116.7-110.3 30.7 19.7 13.6 -11.0 76 85 A I H > S+ 0 0 42 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.923 72.9 50.0 -69.0 -46.7 17.1 15.2 -13.2 77 86 A E H > S+ 0 0 134 1,-0.2 4,-1.7 -3,-0.2 -1,-0.2 0.881 110.9 52.2 -65.7 -36.6 15.8 12.1 -15.2 78 87 A H H > S+ 0 0 15 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.904 109.9 46.8 -61.7 -44.8 15.3 10.2 -11.9 79 88 A T H X S+ 0 0 7 -4,-1.7 4,-1.1 1,-0.2 -1,-0.2 0.820 112.9 50.2 -71.7 -27.9 13.2 13.0 -10.3 80 89 A L H X S+ 0 0 8 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.813 109.5 52.0 -75.4 -34.4 11.2 13.3 -13.5 81 90 A N H X S+ 0 0 23 -4,-1.7 4,-2.4 2,-0.2 5,-0.4 0.829 102.4 59.1 -64.3 -45.7 10.6 9.5 -13.5 82 91 A E H X S+ 0 0 7 -4,-2.0 4,-2.1 95,-0.2 -1,-0.2 0.910 111.6 39.5 -52.1 -48.7 9.3 9.4 -10.0 83 92 A K H X S+ 0 0 5 -4,-1.1 4,-2.7 2,-0.2 5,-0.3 0.929 115.0 50.7 -73.1 -48.1 6.5 11.8 -10.8 84 93 A R H X S+ 0 0 55 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.855 117.4 40.1 -56.8 -38.7 5.6 10.4 -14.2 85 94 A I H >X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 3,-0.6 0.908 114.9 51.8 -79.3 -42.3 5.4 6.9 -12.8 86 95 A L H 3< S+ 0 0 6 -4,-2.1 11,-0.3 -5,-0.4 -2,-0.2 0.858 110.3 47.5 -66.7 -35.7 3.7 7.9 -9.6 87 96 A Q H 3< S+ 0 0 26 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.696 114.4 49.8 -76.1 -19.5 1.0 9.9 -11.3 88 97 A A H << S+ 0 0 2 -3,-0.6 -2,-0.2 -4,-0.6 -68,-0.2 0.826 96.0 80.4 -85.4 -35.9 0.4 7.0 -13.7 89 98 A V < - 0 0 19 -4,-1.9 2,-0.2 -69,-0.1 8,-0.2 -0.102 48.6-174.8 -82.4 171.6 0.1 4.0 -11.4 90 99 A N + 0 0 117 6,-0.1 -73,-0.1 -77,-0.0 5,-0.1 -0.774 22.3 134.5-170.6 114.4 -2.8 2.7 -9.3 91 100 A F > - 0 0 21 3,-0.3 3,-1.6 -2,-0.2 53,-0.0 -0.981 60.0-109.8-168.9 146.0 -2.7 -0.2 -6.9 92 101 A P T 3 S+ 0 0 31 0, 0.0 -1,-0.0 0, 0.0 52,-0.0 0.753 116.2 43.6 -60.2 -23.3 -3.8 -1.1 -3.4 93 102 A F T 3 S+ 0 0 0 47,-0.1 80,-2.6 79,-0.1 2,-0.4 0.013 93.9 89.5-116.7 23.1 -0.2 -1.0 -2.0 94 103 A L B < S-e 173 0B 5 -3,-1.6 -3,-0.3 78,-0.3 80,-0.1 -0.979 83.1-110.7-119.2 133.7 1.2 2.1 -3.7 95 104 A V - 0 0 5 78,-2.2 2,-0.2 -2,-0.4 -2,-0.1 -0.391 40.6-120.6 -58.3 139.2 1.0 5.4 -2.1 96 105 A K - 0 0 86 16,-0.1 16,-1.1 -6,-0.1 2,-0.6 -0.474 9.8-138.1 -78.8 152.0 -1.4 7.6 -4.1 97 106 A L E +D 111 0A 34 -11,-0.3 14,-0.2 -8,-0.2 3,-0.1 -0.957 27.6 169.8-110.0 111.3 -0.3 10.8 -5.7 98 107 A E E + 0 0 74 12,-1.5 2,-0.3 -2,-0.6 13,-0.2 0.918 62.0 6.1 -82.3 -49.6 -3.1 13.4 -5.2 99 108 A F E -D 110 0A 43 11,-1.6 11,-2.6 2,-0.0 2,-0.3 -0.936 55.3-176.5-134.5 155.3 -1.5 16.6 -6.4 100 109 A S E +D 109 0A 4 -2,-0.3 -72,-2.2 9,-0.2 -71,-0.4 -0.968 16.0 142.1-150.7 149.2 1.7 17.9 -8.0 101 110 A F E -D 108 0A 3 7,-1.6 7,-1.8 -2,-0.3 2,-0.3 -0.968 27.7-138.6-166.1 171.5 3.1 21.4 -8.9 102 111 A K E -D 107 0A 71 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.965 10.4-169.7-138.1 155.9 6.3 23.4 -9.0 103 112 A D - 0 0 32 3,-1.9 230,-0.2 -2,-0.3 5,-0.0 -0.540 54.2 -66.7-126.7-155.0 7.4 27.0 -8.1 104 113 A N S S+ 0 0 51 225,-0.2 229,-2.5 -2,-0.2 226,-0.1 0.859 129.0 20.0 -66.0 -32.5 10.5 29.0 -8.7 105 114 A S S S+ 0 0 13 227,-0.2 -38,-2.7 224,-0.1 -37,-0.5 0.793 116.9 35.7-106.3 -34.4 12.7 26.8 -6.4 106 115 A N E -C 66 0A 13 -40,-0.2 -3,-1.9 -39,-0.1 2,-0.3 -0.759 57.5-126.5-132.4 167.4 11.1 23.3 -5.8 107 116 A L E -CD 65 102A 0 -42,-1.9 -42,-2.0 -2,-0.2 2,-0.4 -0.859 29.0-156.4-111.9 147.0 9.2 20.4 -7.0 108 117 A Y E +CD 64 101A 0 -7,-1.8 -7,-1.6 -2,-0.3 2,-0.5 -0.969 17.1 178.5-138.9 120.1 6.1 19.2 -5.0 109 118 A M E -CD 63 100A 1 -46,-1.6 -46,-3.1 -2,-0.4 2,-0.6 -0.981 13.5-160.2-118.1 117.4 4.4 15.9 -4.9 110 119 A V E -CD 62 99A 0 -11,-2.6 -11,-1.6 -2,-0.5 -12,-1.5 -0.890 18.6-178.5 -98.8 120.2 1.5 15.7 -2.5 111 120 A M E -CD 61 97A 13 -50,-3.2 -50,-2.9 -2,-0.6 -14,-0.2 -0.750 38.8 -84.1-116.9 162.9 0.8 12.0 -1.6 112 121 A E E -C 60 0A 60 -16,-1.1 2,-0.4 -2,-0.3 -52,-0.2 -0.455 54.2-114.4 -64.9 131.8 -1.9 10.3 0.6 113 122 A Y - 0 0 21 -54,-0.8 -1,-0.1 -2,-0.1 -54,-0.1 -0.646 24.2-158.5 -82.6 125.0 -0.6 10.5 4.1 114 123 A V > - 0 0 7 -2,-0.4 3,-0.8 1,-0.1 51,-0.2 -0.889 7.4-171.2-104.0 100.4 0.2 7.0 5.5 115 124 A P T 3 + 0 0 13 0, 0.0 202,-0.4 0, 0.0 51,-0.2 0.274 62.5 85.6 -84.3 9.8 0.1 7.4 9.3 116 125 A G T 3 S- 0 0 1 49,-1.5 50,-0.2 1,-0.3 2,-0.1 0.554 90.9-121.1 -88.1 -11.3 1.5 4.0 10.5 117 126 A G < - 0 0 0 -3,-0.8 48,-2.5 48,-0.2 2,-0.5 -0.349 40.9 -55.6 91.2 178.4 5.2 4.8 10.2 118 127 A E B >> -F 164 0B 19 199,-0.4 4,-1.2 46,-0.2 3,-1.1 -0.808 41.7-125.9 -90.5 133.2 7.8 3.1 8.1 119 128 A M H 3> S+ 0 0 0 44,-3.0 4,-2.4 -2,-0.5 3,-0.4 0.884 108.5 68.8 -32.6 -50.6 8.2 -0.6 8.6 120 129 A F H 3> S+ 0 0 11 40,-2.0 4,-2.3 43,-0.2 -1,-0.2 0.862 97.8 49.1 -41.8 -51.3 11.9 0.2 9.2 121 130 A S H <> S+ 0 0 24 -3,-1.1 4,-1.9 1,-0.2 -1,-0.2 0.881 113.1 46.3 -62.8 -44.5 11.1 1.9 12.6 122 131 A H H X S+ 0 0 6 -4,-1.2 4,-2.7 -3,-0.4 5,-0.4 0.932 110.8 51.2 -62.7 -50.4 8.9 -1.0 13.8 123 132 A L H X S+ 0 0 0 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.866 111.3 48.4 -56.1 -41.0 11.4 -3.8 12.8 124 133 A R H < S+ 0 0 46 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.929 115.4 46.2 -66.2 -40.6 14.2 -2.0 14.6 125 134 A R H < S+ 0 0 164 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.983 120.4 34.6 -61.5 -62.4 12.0 -1.6 17.7 126 135 A I H < S- 0 0 84 -4,-2.7 2,-0.5 1,-0.1 -1,-0.2 0.757 102.7-132.7 -68.2 -32.2 10.5 -5.1 17.9 127 136 A G < - 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0 0 41 -2,-0.2 3,-2.4 -22,-0.2 4,-0.3 -0.611 55.9 -38.1-145.4-159.8 16.8 -5.9 -15.3 208 217 A K T >> S+ 0 0 41 1,-0.3 3,-1.1 -2,-0.2 4,-0.8 0.678 114.0 80.5 -43.2 -28.3 13.6 -6.7 -13.3 209 218 A A H 3> S+ 0 0 1 1,-0.3 4,-1.5 2,-0.2 -1,-0.3 0.715 77.2 65.8 -58.4 -30.3 15.6 -9.5 -11.7 210 219 A V H <> S+ 0 0 6 -3,-2.4 4,-2.2 1,-0.2 -1,-0.3 0.826 96.9 57.1 -63.1 -34.6 17.3 -7.1 -9.3 211 220 A D H <> S+ 0 0 1 -3,-1.1 4,-1.6 -4,-0.3 -1,-0.2 0.845 105.3 49.9 -62.9 -37.7 13.8 -6.5 -7.7 212 221 A W H X S+ 0 0 7 -4,-0.8 4,-1.6 2,-0.2 -2,-0.2 0.900 109.5 52.7 -64.4 -37.1 13.5 -10.2 -7.0 213 222 A W H X S+ 0 0 2 -4,-1.5 4,-2.3 1,-0.2 -2,-0.2 0.933 109.9 47.6 -62.6 -46.0 17.0 -10.2 -5.4 214 223 A A H X S+ 0 0 7 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.831 103.6 61.5 -65.1 -33.0 15.9 -7.3 -3.1 215 224 A L H X S+ 0 0 0 -4,-1.6 4,-2.8 2,-0.2 -1,-0.2 0.947 107.3 44.8 -62.3 -46.1 12.7 -9.1 -2.2 216 225 A G H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.921 112.4 50.7 -55.4 -51.8 14.9 -11.9 -0.7 217 226 A V H X S+ 0 0 0 -4,-2.3 4,-1.7 1,-0.2 -2,-0.2 0.892 114.1 47.6 -53.5 -39.4 17.3 -9.4 1.0 218 227 A L H X S+ 0 0 0 -4,-2.6 4,-1.9 2,-0.2 -2,-0.2 0.921 109.6 49.0 -71.0 -50.2 14.1 -7.8 2.5 219 228 A I H X S+ 0 0 0 -4,-2.8 4,-2.2 1,-0.2 5,-0.2 0.907 111.0 52.8 -55.4 -39.9 12.4 -10.9 3.7 220 229 A Y H X S+ 0 0 8 -4,-2.3 4,-2.4 1,-0.3 5,-0.5 0.885 109.7 47.5 -69.2 -38.0 15.7 -12.0 5.3 221 230 A E H X S+ 0 0 0 -4,-1.7 4,-1.0 -5,-0.2 -1,-0.3 0.808 111.4 52.6 -67.2 -29.2 15.9 -8.6 7.2 222 231 A M H < S+ 0 0 0 -4,-1.9 -93,-3.1 2,-0.1 -2,-0.2 0.916 119.1 33.0 -73.5 -38.3 12.3 -9.0 8.2 223 232 A A H < S+ 0 0 1 -4,-2.2 -2,-0.2 -95,-0.2 -3,-0.2 0.737 127.2 37.0 -94.8 -30.3 12.8 -12.5 9.7 224 233 A A H < S- 0 0 4 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.835 99.7-126.2 -82.7 -41.0 16.3 -12.3 11.0 225 234 A G S < S+ 0 0 2 -4,-1.0 -4,-0.2 -5,-0.5 -3,-0.1 0.232 87.0 55.0 106.4 -9.8 16.1 -8.7 12.2 226 235 A Y S S- 0 0 24 -6,-0.5 -2,-0.2 4,-0.0 -1,-0.2 -0.971 92.9 -92.7-148.7 154.4 19.2 -7.7 10.2 227 236 A P - 0 0 1 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.247 29.1-120.5 -68.5 156.8 20.3 -8.0 6.5 228 237 A P S S+ 0 0 17 0, 0.0 2,-0.5 0, 0.0 19,-0.2 0.770 102.7 43.7 -67.1 -29.3 22.2 -11.0 5.1 229 238 A F S S+ 0 0 2 -35,-0.3 2,-0.3 -12,-0.1 8,-0.1 -0.945 78.1 145.1-123.9 110.6 25.1 -8.8 3.9 230 239 A F + 0 0 31 -2,-0.5 2,-0.3 -3,-0.1 118,-0.0 -0.973 7.3 138.1-143.1 159.4 26.4 -6.1 6.3 231 240 A A - 0 0 13 -2,-0.3 6,-0.1 117,-0.1 -2,-0.0 -0.959 58.6 -80.8-176.7-173.8 29.5 -4.2 7.5 232 241 A D S S+ 0 0 103 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.352 108.7 27.8 -93.8 3.7 30.8 -0.7 8.5 233 242 A Q S >> S- 0 0 109 1,-0.1 3,-1.5 120,-0.0 4,-0.9 -0.878 81.8-115.2-163.9 135.9 31.5 0.6 5.0 234 243 A P H >> S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 3,-0.6 0.710 107.4 62.5 -33.8 -44.7 29.9 -0.2 1.6 235 244 A I H 3> S+ 0 0 104 1,-0.3 4,-1.3 2,-0.2 -3,-0.0 0.857 103.7 48.8 -64.3 -36.6 33.0 -1.7 -0.0 236 245 A Q H <> S+ 0 0 73 -3,-1.5 4,-1.0 1,-0.2 -1,-0.3 0.762 110.6 52.4 -64.9 -32.2 33.1 -4.6 2.5 237 246 A I H S+ 0 0 90 -4,-1.0 4,-1.1 2,-0.2 5,-0.8 0.865 107.7 51.7 -62.6 -39.4 30.0 -10.3 0.5 241 250 A I H <5S+ 0 0 0 -4,-1.5 3,-0.4 2,-0.2 -2,-0.2 0.946 114.6 39.6 -67.0 -51.0 27.3 -9.9 -2.2 242 251 A V H <5S+ 0 0 58 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.828 104.4 68.9 -66.8 -34.6 29.5 -11.1 -5.2 243 252 A S H <5S- 0 0 71 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.906 95.6-146.8 -48.0 -43.2 31.1 -13.8 -2.9 244 253 A G T <5 + 0 0 40 -4,-1.1 2,-0.4 -3,-0.4 -3,-0.1 0.914 50.3 132.8 74.4 44.2 27.7 -15.4 -3.1 245 254 A K < + 0 0 97 -5,-0.8 2,-0.2 2,-0.0 -1,-0.2 -0.904 27.2 173.8-133.2 97.1 27.9 -16.9 0.5 246 255 A V - 0 0 36 -2,-0.4 2,-0.3 18,-0.1 -17,-0.1 -0.596 13.8-157.5 -96.8 161.6 24.8 -16.3 2.6 247 256 A R - 0 0 204 -2,-0.2 -2,-0.0 -19,-0.2 0, 0.0 -0.977 10.5-142.9-142.2 136.5 24.2 -17.8 6.1 248 257 A F - 0 0 41 -2,-0.3 2,-0.0 1,-0.1 9,-0.0 -0.701 18.9-109.2-102.9 144.0 20.9 -18.3 7.7 249 258 A P - 0 0 11 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 -0.354 32.3-120.4 -53.8 145.9 19.7 -18.0 11.3 250 259 A S S S+ 0 0 117 1,-0.2 -2,-0.0 -2,-0.0 0, 0.0 0.767 110.2 57.2 -66.2 -27.1 18.9 -21.3 12.9 251 260 A H S S+ 0 0 86 -27,-0.0 -1,-0.2 2,-0.0 3,-0.1 0.841 77.4 111.1 -74.1 -29.7 15.2 -20.4 13.5 252 261 A F S S- 0 0 3 -3,-0.4 -4,-0.0 4,-0.1 -28,-0.0 -0.157 77.2-118.7 -45.9 130.1 14.6 -19.7 9.8 253 262 A S > - 0 0 39 1,-0.1 4,-1.9 4,-0.0 5,-0.1 -0.193 19.7-112.5 -67.2 167.8 12.3 -22.5 8.7 254 263 A S H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -1,-0.1 0.764 118.4 55.5 -75.2 -24.0 13.6 -24.8 6.0 255 264 A D H > S+ 0 0 52 2,-0.2 4,-1.9 1,-0.2 32,-0.3 0.933 108.1 49.0 -72.2 -43.4 11.0 -23.4 3.5 256 265 A L H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.921 110.2 51.4 -54.7 -49.4 12.3 -19.9 4.2 257 266 A K H X S+ 0 0 51 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.891 111.4 47.0 -55.9 -41.4 15.9 -21.1 3.6 258 267 A D H X S+ 0 0 57 -4,-1.8 4,-0.8 2,-0.2 -1,-0.2 0.844 113.5 48.7 -75.2 -28.0 14.9 -22.7 0.3 259 268 A L H >X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 3,-0.6 0.948 115.1 42.8 -69.6 -48.9 13.0 -19.6 -0.8 260 269 A L H 3X S+ 0 0 0 -4,-2.8 4,-3.3 1,-0.3 3,-0.3 0.884 108.0 59.7 -69.0 -37.7 15.8 -17.2 0.1 261 270 A R H 3< S+ 0 0 125 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.784 110.3 44.6 -59.2 -29.9 18.4 -19.5 -1.4 262 271 A N H << S+ 0 0 38 -4,-0.8 10,-2.0 -3,-0.6 3,-0.3 0.655 117.1 41.8 -87.5 -26.7 16.5 -19.2 -4.7 263 272 A L H < S+ 0 0 0 -4,-1.5 2,-0.5 -3,-0.3 -2,-0.2 0.810 111.6 56.1 -86.5 -34.2 16.0 -15.4 -4.6 264 273 A L S < S+ 0 0 11 -4,-3.3 2,-0.5 -5,-0.2 -1,-0.2 -0.250 79.5 136.1 -91.9 45.9 19.5 -14.7 -3.4 265 274 A Q - 0 0 56 -2,-0.5 6,-0.1 -3,-0.3 5,-0.1 -0.803 46.8-157.2 -94.5 129.6 21.0 -16.5 -6.3 266 275 A V S S+ 0 0 57 -2,-0.5 2,-0.8 -22,-0.1 -1,-0.2 0.899 78.1 81.9 -71.7 -39.9 23.9 -14.8 -8.0 267 276 A D S >> S- 0 0 73 1,-0.2 3,-2.1 -3,-0.1 4,-0.8 -0.575 71.7-155.8 -74.8 106.7 23.3 -16.7 -11.3 268 277 A L T 34 S+ 0 0 44 -2,-0.8 -1,-0.2 1,-0.3 6,-0.1 0.562 90.2 61.2 -53.4 -22.6 20.5 -14.6 -13.0 269 278 A T T 34 S+ 0 0 97 1,-0.2 -1,-0.3 6,-0.0 -2,-0.1 0.241 110.0 41.4 -94.3 5.5 19.4 -17.6 -15.0 270 279 A K T <4 S+ 0 0 71 -3,-2.1 2,-0.2 -5,-0.1 -2,-0.2 0.450 87.4 112.7-121.5 -11.9 18.5 -19.5 -11.8 271 280 A R S >< S- 0 0 0 -4,-0.8 3,-2.3 3,-0.1 -8,-0.2 -0.448 74.5-112.1 -72.9 128.6 16.9 -16.6 -9.7 272 281 A F T 3 S+ 0 0 30 -10,-2.0 7,-0.1 1,-0.3 -1,-0.1 -0.335 106.8 34.2 -55.2 130.9 13.2 -16.9 -9.0 273 282 A G T 3 S+ 0 0 14 5,-0.7 -1,-0.3 -3,-0.1 6,-0.2 0.008 108.9 66.5 102.7 -30.4 11.5 -14.2 -10.9 274 283 A N S < S+ 0 0 58 -3,-2.3 2,-0.2 4,-0.1 -2,-0.2 0.126 85.3 97.3-102.6 20.1 13.9 -14.3 -13.9 275 284 A L S > S- 0 0 57 3,-0.2 3,-1.5 -4,-0.1 6,-0.1 -0.523 90.8 -96.1-105.2 172.5 12.7 -17.8 -15.0 276 285 A K T 3 S+ 0 0 113 1,-0.3 -1,-0.0 -2,-0.2 0, 0.0 0.790 124.6 51.2 -60.0 -31.7 10.2 -19.1 -17.6 277 286 A N T > S- 0 0 98 1,-0.2 3,-1.2 2,-0.1 -1,-0.3 0.637 95.8-166.3 -77.8 -17.6 7.5 -19.5 -15.0 278 287 A G T X - 0 0 21 -3,-1.5 3,-0.9 1,-0.3 -5,-0.7 -0.387 59.3 -8.4 72.8-136.3 8.1 -15.9 -13.9 279 288 A V T >> S+ 0 0 18 1,-0.2 4,-1.8 -6,-0.2 3,-1.4 0.731 121.7 76.8 -65.6 -24.7 6.6 -14.7 -10.7 280 289 A N H <> S+ 0 0 50 -3,-1.2 4,-2.5 1,-0.3 -1,-0.2 0.793 81.5 66.6 -65.8 -23.5 4.5 -17.9 -10.2 281 290 A D H <4 S+ 0 0 37 -3,-0.9 -1,-0.3 2,-0.2 -2,-0.2 0.870 108.3 41.6 -59.5 -33.6 7.6 -19.8 -9.1 282 291 A I H X4 S+ 0 0 0 -3,-1.4 3,-1.7 -4,-0.3 6,-0.2 0.942 113.9 49.1 -76.8 -55.1 7.5 -17.5 -6.0 283 292 A K H 3< S+ 0 0 25 -4,-1.8 -2,-0.2 1,-0.3 8,-0.2 0.814 112.4 49.9 -53.1 -35.8 3.7 -17.5 -5.5 284 293 A N T 3< S+ 0 0 124 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.259 83.8 118.8 -91.5 11.2 3.7 -21.4 -5.7 285 294 A H S X S- 0 0 12 -3,-1.7 3,-0.9 1,-0.1 -3,-0.1 -0.434 74.4-119.3 -80.5 156.2 6.5 -21.9 -3.2 286 295 A K G > S+ 0 0 117 1,-0.2 3,-2.0 2,-0.2 4,-0.3 0.809 111.4 63.1 -68.0 -31.5 5.7 -23.9 0.0 287 296 A W G 3 S+ 0 0 3 1,-0.3 3,-0.3 -32,-0.3 -1,-0.2 0.791 110.0 42.0 -63.5 -26.1 6.6 -20.9 2.3 288 297 A F G X S+ 0 0 2 -3,-0.9 3,-1.7 -6,-0.2 -1,-0.3 0.118 83.3 112.1 -99.3 15.9 3.7 -19.1 0.6 289 298 A A T < S+ 0 0 80 -3,-2.0 -1,-0.2 1,-0.3 -2,-0.1 0.796 77.6 46.9 -67.0 -32.1 1.5 -22.2 0.7 290 299 A T T 3 S+ 0 0 116 -4,-0.3 2,-0.6 -3,-0.3 -1,-0.3 0.339 88.6 112.4 -85.8 5.0 -1.0 -20.7 3.2 291 300 A T < - 0 0 22 -3,-1.7 2,-1.1 -8,-0.2 3,-0.1 -0.706 55.7-155.7 -92.9 119.0 -1.2 -17.4 1.4 292 301 A D >> - 0 0 95 -2,-0.6 4,-1.7 1,-0.2 3,-0.5 -0.774 10.9-164.0 -88.0 99.6 -4.5 -16.6 -0.3 293 302 A W H 3> S+ 0 0 26 -2,-1.1 4,-1.6 1,-0.3 -1,-0.2 0.692 84.0 48.6 -63.5 -20.7 -3.2 -14.2 -2.9 294 303 A I H 3> S+ 0 0 67 2,-0.2 4,-1.8 1,-0.2 -1,-0.3 0.794 104.4 56.1 -93.7 -30.2 -6.6 -12.8 -3.6 295 304 A A H <4>S+ 0 0 9 -3,-0.5 5,-2.2 2,-0.2 6,-0.8 0.864 110.6 49.3 -61.7 -33.9 -7.6 -12.1 -0.0 296 305 A I H ><5S+ 0 0 7 -4,-1.7 3,-1.3 2,-0.2 -2,-0.2 0.945 109.7 48.1 -74.7 -48.2 -4.4 -10.1 0.1 297 306 A Y H 3<5S+ 0 0 84 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.859 116.3 46.4 -54.3 -34.0 -5.1 -8.1 -3.1 298 307 A Q T 3<5S- 0 0 123 -4,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.470 107.5-127.7 -91.0 -3.3 -8.7 -7.4 -1.7 299 308 A R T < 5S+ 0 0 52 -3,-1.3 -3,-0.2 -4,-0.3 -4,-0.1 0.817 70.7 126.4 56.8 37.0 -7.5 -6.5 1.7 300 309 A K < + 0 0 91 -5,-2.2 -4,-0.2 -6,-0.2 2,-0.1 0.476 42.0 103.2-100.5 0.5 -9.8 -8.9 3.5 301 310 A V S S- 0 0 57 -6,-0.8 2,-0.6 -5,-0.1 -165,-0.0 -0.493 80.8-109.2 -80.6 153.9 -6.9 -10.6 5.6 302 311 A E - 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