==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 09-JAN-08 3BWJ . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SU . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR D.LAVOGINA,N.KOENIG,A.URI,D.BOSSEMEYER . 341 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 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 . 44 12.9 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 . 24 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 37 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 29.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 0 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 . 2 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 10 A S > 0 0 127 0, 0.0 4,-1.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.7 0.1 10.5 31.2 2 11 A E H > + 0 0 137 1,-0.2 4,-0.9 2,-0.2 0, 0.0 0.730 360.0 56.3 -73.8 -23.0 3.4 12.3 30.5 3 12 A Q H >> S+ 0 0 159 2,-0.2 4,-1.3 1,-0.2 3,-0.5 0.951 108.9 42.6 -74.7 -52.9 5.5 9.2 31.2 4 13 A E H 3> S+ 0 0 97 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.823 109.4 62.1 -58.3 -34.7 3.9 6.9 28.6 5 14 A S H 3X S+ 0 0 73 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.812 101.0 50.1 -68.2 -32.6 3.9 9.7 26.2 6 15 A V H - 0 0 98 -2,-0.3 3,-1.5 71,-0.1 4,-0.1 -0.973 28.2-119.8-135.7 151.7 23.6 17.5 -9.3 31 40 A L G > S+ 0 0 10 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.796 107.9 65.1 -58.3 -35.2 26.0 20.4 -8.8 32 41 A D G 3 S+ 0 0 118 1,-0.3 -1,-0.3 3,-0.0 22,-0.0 0.603 89.0 68.4 -66.9 -20.5 24.8 22.3 -11.9 33 42 A Q G < S+ 0 0 85 -3,-1.5 21,-2.0 20,-0.1 22,-0.4 0.427 96.4 68.2 -74.7 -2.5 21.4 22.7 -10.3 34 43 A F E < -A 53 0A 5 -3,-1.7 2,-0.5 19,-0.2 19,-0.2 -0.932 67.4-147.5-126.2 139.8 22.9 25.1 -7.7 35 44 A E E -A 52 0A 92 17,-2.6 17,-2.7 -2,-0.4 2,-0.3 -0.952 26.1-129.3-104.0 126.5 24.4 28.6 -7.9 36 45 A R E +A 51 0A 99 -2,-0.5 15,-0.2 15,-0.2 3,-0.1 -0.564 32.9 168.5 -74.3 131.3 27.2 29.2 -5.4 37 46 A I E - 0 0 72 13,-3.1 2,-0.3 1,-0.3 14,-0.2 0.815 52.2 -21.3-106.2 -58.4 26.8 32.3 -3.3 38 47 A K E -A 50 0A 40 12,-1.0 12,-3.2 282,-0.0 2,-0.5 -0.996 57.8-102.6-161.5 146.3 29.2 32.5 -0.4 39 48 A T E +A 49 0A 0 -2,-0.3 282,-0.3 282,-0.3 10,-0.2 -0.678 29.5 178.5 -79.9 124.6 31.4 30.5 1.9 40 49 A L E + 0 0 8 8,-2.8 2,-0.3 -2,-0.5 279,-0.2 0.607 67.1 2.4 -96.6 -19.9 29.8 30.0 5.4 41 50 A G E -A 48 0A 14 7,-1.4 7,-2.5 277,-0.1 -1,-0.3 -0.955 59.3-148.2-168.9 146.5 32.5 27.9 6.9 42 51 A T E +A 47 0A 80 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.810 19.7 166.6-118.5 157.8 36.0 26.4 6.2 43 52 A G - 0 0 57 3,-1.2 -2,-0.0 -2,-0.3 5,-0.0 -0.883 48.6 -90.6-156.3-175.3 37.6 23.2 7.4 44 53 A S S S+ 0 0 86 -2,-0.3 3,-0.1 1,-0.2 29,-0.0 0.684 120.6 18.4 -86.1 -21.9 40.6 20.9 6.7 45 54 A F S S+ 0 0 50 1,-0.1 21,-3.4 19,-0.0 2,-0.3 0.261 130.0 2.0-127.2 9.6 38.9 18.6 4.1 46 55 A G E - B 0 65A 21 19,-0.3 -3,-1.2 23,-0.1 2,-0.3 -0.976 56.3-132.1-171.8 178.2 35.9 20.6 3.0 47 56 A R E -AB 42 64A 25 17,-2.5 17,-3.7 -2,-0.3 2,-0.5 -0.951 16.3-128.5-143.7 165.4 33.8 23.8 3.2 48 57 A V E -AB 41 63A 35 -7,-2.5 -8,-2.8 -2,-0.3 -7,-1.4 -0.985 29.8-171.5-115.9 129.2 30.2 24.8 3.6 49 58 A M E -AB 39 62A 7 13,-2.7 13,-3.1 -2,-0.5 2,-0.6 -0.909 28.6-121.3-121.3 145.7 28.6 27.2 1.1 50 59 A L E +AB 38 61A 0 -12,-3.2 -13,-3.1 -2,-0.4 -12,-1.0 -0.726 43.9 176.5 -70.5 121.3 25.4 29.1 0.7 51 60 A V E -AB 36 60A 0 9,-3.2 9,-2.3 -2,-0.6 2,-0.5 -0.920 25.2-137.6-121.5 160.3 23.9 27.9 -2.6 52 61 A K E -AB 35 59A 73 -17,-2.7 -17,-2.6 -2,-0.3 2,-0.7 -0.970 16.5-133.1-116.4 130.9 20.7 28.7 -4.4 53 62 A H E > -A 34 0A 13 5,-3.5 4,-2.8 -2,-0.5 5,-0.4 -0.728 18.0-151.0 -77.8 112.7 18.7 25.9 -6.1 54 63 A M T 4 S+ 0 0 110 -21,-2.0 -1,-0.1 -2,-0.7 -20,-0.1 0.810 88.2 52.8 -62.0 -36.5 17.9 27.4 -9.5 55 64 A E T 4 S+ 0 0 173 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.898 127.0 21.2 -61.8 -44.2 14.6 25.6 -10.2 56 65 A T T 4 S- 0 0 68 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.632 93.4-130.5-101.7 -18.3 13.0 26.7 -6.9 57 66 A G < + 0 0 29 -4,-2.8 -3,-0.2 1,-0.3 2,-0.1 0.480 59.6 144.9 71.8 3.6 15.1 29.7 -6.0 58 67 A N - 0 0 90 -5,-0.4 -5,-3.5 -6,-0.1 2,-0.3 -0.440 45.4-129.6 -74.6 145.0 15.5 28.2 -2.5 59 68 A H E +B 52 0A 36 -7,-0.2 54,-0.8 -2,-0.1 2,-0.3 -0.767 28.6 174.3 -97.6 144.0 18.7 28.6 -0.5 60 69 A Y E -BC 51 112A 18 -9,-2.3 -9,-3.2 -2,-0.3 2,-0.6 -0.948 34.6-117.8-139.9 158.5 20.7 25.8 1.1 61 70 A A E -BC 50 111A 10 50,-2.5 50,-3.6 -2,-0.3 2,-0.7 -0.907 32.3-160.9 -96.1 118.4 23.9 25.1 2.9 62 71 A M E -BC 49 110A 0 -13,-3.1 -13,-2.7 -2,-0.6 2,-0.6 -0.911 6.3-150.7-109.8 111.0 26.0 22.8 0.8 63 72 A K E -BC 48 109A 17 46,-3.0 46,-2.0 -2,-0.7 2,-0.5 -0.731 13.9-163.8 -79.2 123.3 28.8 21.0 2.6 64 73 A I E -BC 47 108A 9 -17,-3.7 -17,-2.5 -2,-0.6 2,-0.5 -0.949 5.0-170.5-114.4 121.5 31.6 20.2 0.1 65 74 A L E -BC 46 107A 4 42,-2.0 42,-1.6 -2,-0.5 2,-0.7 -0.944 23.3-128.9-120.6 127.1 34.2 17.6 1.1 66 75 A D E >> - C 0 106A 42 -21,-3.4 4,-2.3 -2,-0.5 3,-0.5 -0.672 17.0-148.0 -77.2 113.6 37.4 16.9 -0.9 67 76 A K H 3> S+ 0 0 2 38,-2.2 4,-1.8 -2,-0.7 -1,-0.2 0.789 93.8 49.0 -50.1 -40.0 37.4 13.2 -1.4 68 77 A Q H 3> S+ 0 0 87 37,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.831 111.1 49.2 -74.8 -34.4 41.2 12.9 -1.3 69 78 A K H <> S+ 0 0 105 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.900 107.5 55.9 -71.6 -36.0 41.6 14.9 1.9 70 79 A V H <>S+ 0 0 0 -4,-2.3 5,-3.2 -25,-0.2 6,-0.3 0.926 110.2 45.6 -55.7 -51.5 38.8 12.7 3.5 71 80 A V H ><5S+ 0 0 48 -4,-1.8 3,-1.4 3,-0.2 5,-0.2 0.948 114.8 46.8 -57.2 -53.4 40.9 9.6 2.8 72 81 A K H 3<5S+ 0 0 167 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.846 112.6 49.0 -55.4 -40.2 44.2 11.1 4.0 73 82 A L T 3<5S- 0 0 81 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.385 115.2-118.9 -89.8 5.4 42.6 12.4 7.2 74 83 A K T < 5S+ 0 0 178 -3,-1.4 -3,-0.2 -4,-0.2 4,-0.1 0.903 74.6 128.3 60.6 48.1 41.1 9.0 7.8 75 84 A Q >< + 0 0 32 -5,-3.2 4,-2.4 -6,-0.1 -4,-0.2 0.104 27.6 107.4-118.4 21.7 37.5 10.2 7.6 76 85 A I H > S+ 0 0 46 -6,-0.3 4,-2.4 2,-0.2 5,-0.2 0.974 87.1 40.3 -61.1 -59.0 35.8 7.9 5.1 77 86 A E H > S+ 0 0 112 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.888 117.5 50.7 -55.5 -43.3 33.8 5.8 7.5 78 87 A H H > S+ 0 0 10 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.869 110.4 49.2 -65.4 -38.7 33.0 9.1 9.5 79 88 A T H X S+ 0 0 2 -4,-2.4 4,-1.6 2,-0.2 -1,-0.2 0.859 111.7 47.9 -69.5 -37.5 31.9 10.8 6.3 80 89 A L H X S+ 0 0 25 -4,-2.4 4,-1.8 2,-0.2 -2,-0.2 0.868 110.3 52.7 -69.9 -38.9 29.7 7.8 5.3 81 90 A N H X S+ 0 0 28 -4,-2.5 4,-3.0 -5,-0.2 5,-0.4 0.938 106.5 56.1 -57.3 -47.0 28.2 7.7 8.9 82 91 A E H X S+ 0 0 4 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.910 110.8 39.9 -55.8 -54.0 27.3 11.5 8.6 83 92 A K H X S+ 0 0 15 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.879 117.6 50.0 -61.0 -38.1 25.3 11.2 5.4 84 93 A R H X S+ 0 0 105 -4,-1.8 4,-0.7 2,-0.2 -2,-0.2 0.878 115.3 42.0 -73.3 -40.7 23.6 7.9 6.6 85 94 A I H >X S+ 0 0 0 -4,-3.0 4,-1.8 2,-0.2 3,-0.8 0.942 114.2 51.9 -69.5 -47.5 22.6 9.3 10.0 86 95 A L H 3< S+ 0 0 6 -4,-2.5 11,-0.5 -5,-0.4 -2,-0.2 0.864 109.3 48.7 -65.0 -37.9 21.5 12.7 8.6 87 96 A Q H 3< S+ 0 0 25 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.763 116.3 45.1 -65.9 -24.5 19.2 11.2 6.0 88 97 A A H << S+ 0 0 3 -3,-0.8 -68,-0.2 -4,-0.7 -2,-0.2 0.741 97.3 79.9 -95.8 -23.5 17.6 8.9 8.6 89 98 A V < - 0 0 13 -4,-1.8 2,-0.3 -69,-0.1 59,-0.0 -0.412 48.7-174.8 -89.6 160.6 17.0 11.2 11.6 90 99 A N + 0 0 90 -2,-0.1 -73,-0.1 6,-0.1 5,-0.1 -0.809 23.5 135.1-156.6 108.5 14.2 13.7 12.2 91 100 A F > - 0 0 15 3,-0.3 3,-1.7 -2,-0.3 53,-0.0 -0.965 58.2-114.1-158.3 143.5 14.1 16.0 15.2 92 101 A P T 3 S+ 0 0 30 0, 0.0 -1,-0.0 0, 0.0 52,-0.0 0.731 113.4 45.8 -53.8 -32.4 13.3 19.7 15.5 93 102 A F T 3 S+ 0 0 0 47,-0.1 80,-3.5 79,-0.1 2,-0.5 0.202 95.0 89.4-102.2 15.8 16.8 20.7 16.6 94 103 A L B < S-e 173 0B 5 -3,-1.7 -3,-0.3 78,-0.3 80,-0.2 -0.938 83.9-110.7-109.3 132.8 18.7 18.8 14.0 95 104 A V - 0 0 5 78,-2.3 2,-0.6 -2,-0.5 -4,-0.1 -0.202 34.1-117.7 -50.8 147.5 19.6 20.3 10.6 96 105 A K - 0 0 102 16,-0.1 16,-2.5 -6,-0.1 2,-0.7 -0.860 13.8-145.9 -99.6 116.2 17.7 18.8 7.6 97 106 A L E +D 111 0A 30 -2,-0.6 14,-0.3 -11,-0.5 3,-0.1 -0.748 24.2 172.7 -78.2 110.9 19.7 17.0 4.9 98 107 A E E + 0 0 79 12,-2.6 2,-0.3 -2,-0.7 13,-0.2 0.851 59.4 6.8 -88.7 -45.1 17.8 17.8 1.7 99 108 A F E -D 110 0A 38 11,-1.8 11,-3.2 2,-0.0 2,-0.3 -0.975 57.4-176.3-137.8 151.2 20.0 16.4 -1.1 100 109 A S E +D 109 0A 4 -2,-0.3 -72,-1.3 9,-0.2 -73,-0.6 -0.985 18.2 136.4-147.0 148.9 23.3 14.4 -1.4 101 110 A F E -D 108 0A 10 7,-1.6 7,-3.1 -2,-0.3 2,-0.3 -0.959 30.5-133.5-169.0 176.7 25.4 13.3 -4.3 102 111 A K E -D 107 0A 70 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.947 10.8-173.0-141.2 160.8 29.0 13.0 -5.5 103 112 A D - 0 0 28 3,-2.3 230,-0.2 -2,-0.3 225,-0.0 -0.532 54.5 -69.3-130.0-152.3 31.1 13.8 -8.5 104 113 A N S S+ 0 0 46 225,-0.3 229,-1.8 -2,-0.2 226,-0.1 0.826 129.2 23.2 -75.0 -33.7 34.7 12.9 -9.4 105 114 A S S S+ 0 0 14 224,-0.1 -38,-2.2 227,-0.1 -37,-0.3 0.765 119.5 37.2 -97.5 -31.4 36.3 15.2 -6.8 106 115 A N E -C 66 0A 10 -40,-0.2 -3,-2.3 -39,-0.1 2,-0.4 -0.784 54.2-134.0-136.4 164.5 33.8 15.7 -4.1 107 116 A L E -CD 65 102A 0 -42,-1.6 -42,-2.0 -2,-0.3 2,-0.4 -0.937 29.5-154.1-113.9 136.3 31.0 14.6 -1.8 108 117 A Y E +CD 64 101A 0 -7,-3.1 -7,-1.6 -2,-0.4 2,-0.4 -0.960 17.0 179.3-121.7 130.5 28.0 16.9 -1.5 109 118 A M E -CD 63 100A 1 -46,-2.0 -46,-3.0 -2,-0.4 2,-0.7 -0.956 14.3-161.3-128.4 110.7 25.6 17.2 1.5 110 119 A V E -CD 62 99A 0 -11,-3.2 -12,-2.6 -2,-0.4 -11,-1.8 -0.835 14.2-178.0-105.5 108.1 22.9 19.9 0.9 111 120 A M E -CD 61 97A 5 -50,-3.6 -50,-2.5 -2,-0.7 -14,-0.2 -0.678 37.7 -89.9-101.9 153.6 21.2 21.0 4.1 112 121 A E E -C 60 0A 81 -16,-2.5 2,-0.4 -2,-0.3 -52,-0.2 -0.411 54.4-108.1 -52.0 135.1 18.5 23.5 4.8 113 122 A Y - 0 0 32 -54,-0.8 -1,-0.1 -2,-0.1 -54,-0.1 -0.611 25.8-159.0 -78.0 125.6 20.0 26.9 5.3 114 123 A V > - 0 0 6 -2,-0.4 3,-0.8 1,-0.1 51,-0.2 -0.896 9.4-170.7-105.9 102.9 20.0 28.1 8.9 115 124 A P T 3 + 0 0 18 0, 0.0 202,-0.4 0, 0.0 51,-0.2 0.567 65.9 79.9 -80.2 -11.4 20.4 31.9 8.6 116 125 A G T 3 S- 0 0 1 49,-1.5 50,-0.2 1,-0.2 192,-0.1 0.511 91.8-132.7 -74.5 -7.8 21.0 33.0 12.2 117 126 A G < - 0 0 0 -3,-0.8 48,-2.6 48,-0.2 -1,-0.2 -0.119 40.0 -37.3 84.7-178.7 24.7 32.0 12.2 118 127 A E B > -F 164 0B 33 199,-0.3 4,-1.3 46,-0.2 3,-0.4 -0.442 43.2-128.5 -75.8 150.0 26.6 30.0 14.8 119 128 A M H > S+ 0 0 0 44,-3.1 4,-2.8 41,-1.1 5,-0.2 0.854 107.1 70.9 -61.3 -33.3 26.1 30.3 18.5 120 129 A F H > S+ 0 0 57 40,-1.1 4,-2.4 43,-0.3 -1,-0.2 0.888 98.2 44.4 -44.2 -55.5 29.9 30.7 18.6 121 130 A S H > S+ 0 0 8 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.899 114.1 49.7 -59.1 -49.7 29.8 34.3 17.0 122 131 A H H X S+ 0 0 14 -4,-1.3 4,-2.3 1,-0.2 -2,-0.2 0.912 113.2 47.4 -57.8 -43.2 26.8 35.4 19.2 123 132 A L H X S+ 0 0 0 -4,-2.8 4,-1.1 2,-0.2 -2,-0.2 0.872 113.2 46.2 -68.3 -41.7 28.6 34.2 22.3 124 133 A R H < S+ 0 0 112 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.838 112.9 52.3 -68.1 -34.1 31.9 35.8 21.5 125 134 A R H < S+ 0 0 153 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.943 117.5 34.6 -68.8 -47.7 30.2 39.0 20.6 126 135 A I H < S- 0 0 100 -4,-2.3 2,-1.2 -5,-0.2 -1,-0.2 0.512 100.0-125.9 -91.0 -2.4 28.1 39.4 23.8 127 136 A G S < S- 0 0 43 -4,-1.1 2,-0.3 -5,-0.1 -1,-0.1 -0.656 74.2 -10.4 99.1 -77.5 30.6 38.0 26.4 128 137 A R - 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0 0 23 -3,-1.1 3,-0.9 1,-0.3 -5,-0.9 -0.216 61.5 -7.4 59.1-130.9 19.1 8.3 32.6 279 288 A V T >> S+ 0 0 19 1,-0.2 4,-2.2 2,-0.2 3,-1.1 0.628 121.4 77.1 -76.1 -19.0 18.4 11.8 31.2 280 289 A N H <> S+ 0 0 70 -3,-1.5 4,-2.2 1,-0.3 -1,-0.2 0.730 81.3 66.8 -67.4 -22.7 15.8 12.5 34.0 281 290 A D H <4 S+ 0 0 38 -3,-0.9 -1,-0.3 -4,-0.2 -2,-0.2 0.817 110.3 37.7 -65.0 -28.1 18.6 13.2 36.4 282 291 A I H X4 S+ 0 0 0 -3,-1.1 3,-0.7 -4,-0.2 -2,-0.2 0.872 117.6 48.1 -85.0 -45.7 19.3 16.3 34.2 283 292 A K H 3< S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -3,-0.2 0.792 115.9 44.8 -67.1 -29.9 15.7 17.2 33.4 284 293 A N T 3< S+ 0 0 127 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.434 87.0 118.3 -95.1 -2.4 14.6 17.0 37.0 285 294 A H S X S- 0 0 12 -3,-0.7 3,-1.4 1,-0.1 -3,-0.1 -0.330 77.5-114.3 -61.3 147.0 17.7 18.9 38.3 286 295 A K G > S+ 0 0 122 1,-0.3 3,-1.5 2,-0.2 4,-0.2 0.750 112.7 64.6 -53.4 -34.4 16.9 22.2 40.1 287 296 A W G 3 S+ 0 0 3 -32,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.781 107.9 43.9 -64.2 -23.4 18.6 24.4 37.4 288 297 A F G X S+ 0 0 1 -3,-1.4 3,-1.9 -6,-0.2 -1,-0.3 0.240 78.3 111.3-100.6 12.0 15.9 23.2 35.0 289 298 A A T < S+ 0 0 81 -3,-1.5 -1,-0.2 1,-0.3 -2,-0.1 0.747 80.0 47.8 -65.3 -24.3 12.9 23.5 37.3 290 299 A T T 3 S+ 0 0 119 -3,-0.3 2,-0.5 -4,-0.2 -1,-0.3 0.401 88.9 111.6 -94.3 4.8 11.4 26.4 35.3 291 300 A T < - 0 0 23 -3,-1.9 2,-0.9 -8,-0.2 3,-0.1 -0.674 57.1-154.7 -87.1 124.7 11.9 24.5 32.0 292 301 A D > - 0 0 97 -2,-0.5 4,-2.0 1,-0.2 5,-0.2 -0.861 10.9-167.4 -95.8 94.0 8.8 23.4 30.2 293 302 A W H > S+ 0 0 40 -2,-0.9 4,-2.3 1,-0.2 -1,-0.2 0.864 83.2 49.2 -55.5 -42.1 10.3 20.5 28.3 294 303 A I H > S+ 0 0 74 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 109.8 50.3 -65.0 -45.0 7.2 20.0 26.0 295 304 A A H 4>S+ 0 0 12 2,-0.2 5,-3.7 1,-0.2 6,-1.0 0.829 110.3 50.6 -64.1 -36.9 7.0 23.7 25.1 296 305 A I H ><5S+ 0 0 7 -4,-2.0 3,-1.7 3,-0.2 -2,-0.2 0.962 111.2 48.7 -59.0 -54.2 10.7 23.8 24.2 297 306 A Y H 3<5S+ 0 0 82 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.891 115.6 43.9 -51.3 -46.1 10.2 20.7 22.0 298 307 A Q T 3<5S- 0 0 104 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.393 111.3-123.7 -79.8 -1.1 7.2 22.4 20.4 299 308 A R T < 5S+ 0 0 53 -3,-1.7 -3,-0.2 -5,-0.2 -2,-0.1 0.862 70.5 134.0 55.0 41.7 9.1 25.6 20.1 300 309 A K < + 0 0 150 -5,-3.7 -4,-0.2 -6,-0.1 2,-0.2 0.724 42.3 95.6 -87.8 -24.0 6.3 27.4 22.0 301 310 A V S S- 0 0 50 -6,-1.0 2,-0.5 -9,-0.1 0, 0.0 -0.406 84.6-113.5 -72.5 134.9 8.8 29.2 24.3 302 311 A E - 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