==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 27-JAN-12 4DH5 . COMPND 2 MOLECULE: CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT A . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR A.Y.KOVALEVSKY,P.LANGAN . 356 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16720.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 224 62.9 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 . 45 12.6 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 . 26 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 27.2 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 2 0 1 0 2 1 0 0 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 1 2 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 73 0, 0.0 4,-3.0 0, 0.0 3,-0.6 0.000 360.0 360.0 360.0 -53.2 -26.0 23.7 -31.2 2 16 A K H 3> + 0 0 169 1,-0.3 4,-1.0 2,-0.2 0, 0.0 0.771 360.0 57.0 -56.2 -24.5 -25.1 27.4 -31.0 3 17 A E H 3> S+ 0 0 148 2,-0.1 4,-0.6 1,-0.1 -1,-0.3 0.897 113.0 37.5 -72.7 -42.9 -28.3 27.7 -29.1 4 18 A F H X> S+ 0 0 85 -3,-0.6 4,-1.6 2,-0.2 3,-1.1 0.915 111.2 55.9 -75.1 -49.5 -27.2 25.1 -26.4 5 19 A L H 3X S+ 0 0 30 -4,-3.0 4,-2.4 1,-0.3 5,-0.2 0.865 100.1 63.5 -53.0 -38.8 -23.5 26.0 -26.1 6 20 A A H 3X S+ 0 0 59 -4,-1.0 4,-0.8 -5,-0.3 -1,-0.3 0.852 104.7 44.6 -55.4 -39.1 -24.5 29.6 -25.3 7 21 A K H - 0 0 98 -2,-0.3 3,-2.0 71,-0.1 4,-0.2 -0.981 27.7-110.2-143.2 151.4 -12.9 16.2 4.4 26 40 A L G > S+ 0 0 35 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.813 109.5 62.7 -45.1 -46.3 -10.7 13.1 4.5 27 41 A D G 3 S+ 0 0 98 1,-0.3 -1,-0.3 3,-0.1 22,-0.0 0.431 89.4 70.0 -67.7 3.1 -12.5 11.4 7.4 28 42 A Q G < S+ 0 0 69 -3,-2.0 21,-2.5 21,-0.1 2,-0.4 0.469 95.8 65.2 -95.2 -4.5 -15.8 11.2 5.5 29 43 A F E < -A 48 0A 2 -3,-1.8 2,-0.6 19,-0.2 19,-0.2 -0.940 68.2-145.5-123.0 146.6 -14.3 8.5 3.2 30 44 A D E -A 47 0A 83 17,-2.4 17,-1.8 -2,-0.4 2,-0.3 -0.928 26.7-133.4-107.2 117.8 -13.0 5.0 3.7 31 45 A R E +A 46 0A 115 -2,-0.6 15,-0.2 15,-0.2 3,-0.1 -0.565 32.9 167.7 -74.9 128.3 -10.1 4.3 1.3 32 46 A I E - 0 0 83 13,-2.9 2,-0.3 -2,-0.3 14,-0.2 0.854 48.8 -23.0-105.7 -61.5 -10.5 1.0 -0.5 33 47 A K E -A 45 0A 40 12,-1.1 12,-4.2 282,-0.0 2,-0.3 -0.993 58.8 -99.8-156.6 155.1 -8.2 0.3 -3.3 34 48 A T E -A 44 0A 0 -2,-0.3 10,-0.3 10,-0.3 282,-0.2 -0.629 26.8-176.8 -80.9 134.8 -5.9 2.0 -5.9 35 49 A L E - 0 0 9 8,-3.6 2,-0.3 1,-0.4 279,-0.3 0.656 65.7 -19.0-101.8 -24.9 -7.6 2.3 -9.3 36 50 A G E -A 43 0A 8 7,-1.5 7,-3.0 277,-0.1 -1,-0.4 -0.945 52.0-138.1-177.1 156.9 -4.6 3.9 -11.1 37 51 A T E -A 42 0A 53 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.827 20.7-169.3-121.5 160.3 -1.3 5.8 -10.7 38 52 A G - 0 0 37 3,-1.9 315,-0.1 -2,-0.3 -2,-0.0 -0.950 44.3 -92.2-146.9 166.0 0.1 8.6 -12.8 39 53 A S S S+ 0 0 40 -2,-0.3 3,-0.1 1,-0.2 314,-0.0 0.785 127.5 27.8 -47.2 -29.9 3.2 10.7 -13.4 40 54 A F S S- 0 0 41 1,-0.2 21,-0.3 20,-0.0 2,-0.2 0.895 125.6 -21.1-100.1 -63.5 1.8 12.9 -10.7 41 55 A G - 0 0 18 19,-0.1 -3,-1.9 23,-0.0 2,-0.3 -0.640 59.9 -95.1-136.7-164.9 -0.5 11.2 -8.2 42 56 A R E -AB 37 59A 34 17,-1.3 17,-3.1 -5,-0.2 2,-0.5 -0.837 20.1-142.8-119.4 158.0 -2.7 8.1 -7.4 43 57 A V E -AB 36 58A 35 -7,-3.0 -8,-3.6 -2,-0.3 -7,-1.5 -0.975 20.8-168.9-122.7 120.2 -6.4 7.5 -7.7 44 58 A M E -AB 34 57A 11 13,-2.6 13,-3.3 -2,-0.5 2,-0.5 -0.837 25.6-120.7-112.4 152.7 -8.2 5.4 -5.1 45 59 A L E +AB 33 56A 1 -12,-4.2 -13,-2.9 -2,-0.3 -12,-1.1 -0.715 42.8 179.5 -84.2 129.2 -11.6 3.9 -4.9 46 60 A V E -AB 31 55A 0 9,-2.9 9,-2.3 -2,-0.5 2,-0.5 -0.891 24.5-137.0-130.6 163.0 -13.2 5.3 -1.8 47 61 A K E -AB 30 54A 88 -17,-1.8 -17,-2.4 -2,-0.3 2,-0.6 -0.984 17.8-133.7-124.6 125.2 -16.6 4.9 -0.1 48 62 A H E > -A 29 0A 22 5,-3.2 4,-2.9 -2,-0.5 -19,-0.2 -0.667 15.3-149.7 -79.8 118.8 -18.4 7.9 1.3 49 63 A K T 4 S+ 0 0 108 -21,-2.5 -1,-0.1 -2,-0.6 -20,-0.1 0.935 88.0 45.5 -53.6 -60.8 -19.6 7.1 4.9 50 64 A E T 4 S+ 0 0 178 -22,-0.3 -1,-0.2 1,-0.2 -21,-0.1 0.847 128.4 25.3 -56.5 -40.5 -22.8 9.1 5.2 51 65 A S T 4 S- 0 0 60 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.755 92.5-132.7 -96.9 -30.9 -24.2 8.2 1.8 52 66 A G < + 0 0 29 -4,-2.9 2,-0.2 1,-0.3 -3,-0.1 0.475 56.9 142.3 89.5 1.5 -22.6 4.8 1.1 53 67 A N - 0 0 89 -5,-0.2 -5,-3.2 -6,-0.1 -1,-0.3 -0.469 48.2-127.3 -78.3 149.0 -21.6 5.9 -2.5 54 68 A H E +B 47 0A 41 -7,-0.2 54,-0.7 -2,-0.2 2,-0.3 -0.693 30.7 175.3 -94.4 147.9 -18.3 5.0 -4.1 55 69 A Y E -BC 46 107A 22 -9,-2.3 -9,-2.9 -2,-0.3 2,-0.6 -0.956 33.4-118.0-144.4 162.8 -16.1 7.6 -5.7 56 70 A A E -BC 45 106A 9 50,-2.3 50,-3.0 -2,-0.3 2,-0.6 -0.923 31.3-158.3-106.1 120.9 -12.7 7.8 -7.3 57 71 A M E -BC 44 105A 0 -13,-3.3 -13,-2.6 -2,-0.6 2,-0.5 -0.892 3.8-153.2-107.5 115.1 -10.4 10.1 -5.2 58 72 A K E -BC 43 104A 24 46,-3.3 46,-2.1 -2,-0.6 2,-0.5 -0.723 13.0-158.8 -86.4 124.5 -7.4 11.6 -6.9 59 73 A I E -BC 42 103A 11 -17,-3.1 -17,-1.3 -2,-0.5 2,-0.5 -0.914 7.1-169.3-109.5 127.0 -4.6 12.3 -4.4 60 74 A L E - C 0 102A 2 42,-2.8 42,-2.0 -2,-0.5 2,-0.7 -0.940 18.2-140.9-119.1 116.1 -1.8 14.9 -5.1 61 75 A D E > - C 0 101A 48 -2,-0.5 4,-2.6 -21,-0.3 3,-0.3 -0.601 14.7-148.2 -72.4 112.9 1.3 15.2 -2.9 62 76 A K H > S+ 0 0 3 38,-2.2 4,-2.0 -2,-0.7 -1,-0.2 0.860 94.7 50.6 -49.9 -44.9 1.8 18.9 -2.7 63 77 A Q H > S+ 0 0 100 37,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.892 110.8 48.1 -64.4 -39.9 5.6 18.6 -2.4 64 78 A K H > S+ 0 0 88 -3,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.922 108.9 55.1 -66.8 -40.3 5.8 16.3 -5.4 65 79 A V H <>S+ 0 0 4 -4,-2.6 5,-2.7 1,-0.2 6,-0.3 0.893 111.2 45.4 -57.9 -40.6 3.6 18.8 -7.3 66 80 A V H ><5S+ 0 0 49 -4,-2.0 3,-2.5 3,-0.2 -2,-0.2 0.941 106.7 56.3 -70.1 -48.2 6.1 21.5 -6.6 67 81 A K H 3<5S+ 0 0 155 -4,-2.6 -2,-0.2 1,-0.3 -1,-0.2 0.889 111.2 45.1 -48.9 -45.9 9.3 19.6 -7.4 68 82 A L T 3<5S- 0 0 55 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.304 112.9-121.0 -83.5 8.3 7.9 18.9 -10.9 69 83 A K T < 5S+ 0 0 142 -3,-2.5 -3,-0.2 -5,-0.1 4,-0.2 0.893 70.2 134.2 52.7 47.0 6.8 22.5 -11.3 70 84 A Q >< + 0 0 4 -5,-2.7 4,-2.8 -6,-0.1 5,-0.2 0.167 26.0 113.9-109.3 17.5 3.1 21.6 -11.8 71 85 A I H > S+ 0 0 46 -6,-0.3 4,-2.1 1,-0.2 5,-0.2 0.951 80.9 41.1 -51.4 -60.3 1.7 24.2 -9.5 72 86 A E H > S+ 0 0 127 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.873 115.6 52.1 -58.4 -39.0 -0.1 26.2 -12.2 73 87 A H H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.901 108.4 49.8 -64.6 -41.7 -1.2 23.1 -14.0 74 88 A T H X S+ 0 0 8 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.878 110.9 50.5 -65.0 -37.3 -2.7 21.6 -10.8 75 89 A L H X S+ 0 0 14 -4,-2.1 4,-2.1 -5,-0.2 -1,-0.2 0.847 110.8 49.0 -69.7 -33.1 -4.6 24.8 -10.2 76 90 A N H X S+ 0 0 17 -4,-1.8 4,-3.2 2,-0.2 5,-0.4 0.956 108.8 53.4 -68.9 -50.7 -5.9 24.8 -13.7 77 91 A E H X S+ 0 0 9 -4,-2.9 4,-2.2 95,-0.3 -2,-0.2 0.903 114.0 40.9 -49.4 -49.8 -7.1 21.1 -13.4 78 92 A K H X S+ 0 0 7 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.936 116.3 48.3 -68.3 -46.7 -9.1 21.8 -10.3 79 93 A R H < S+ 0 0 69 -4,-2.1 4,-0.3 -5,-0.2 -2,-0.2 0.896 116.8 42.7 -61.5 -41.7 -10.5 25.2 -11.4 80 94 A I H >X S+ 0 0 0 -4,-3.2 4,-1.9 -5,-0.2 3,-1.6 0.945 112.2 52.5 -69.6 -50.8 -11.6 23.8 -14.8 81 95 A L H 3< S+ 0 0 5 -4,-2.2 11,-0.5 -5,-0.4 -2,-0.2 0.855 107.0 51.9 -54.4 -42.3 -13.0 20.5 -13.6 82 96 A Q T 3< S+ 0 0 22 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.579 114.4 45.1 -74.6 -7.9 -15.2 22.1 -11.0 83 97 A A T <4 S+ 0 0 1 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.715 93.8 84.9-105.6 -28.1 -16.7 24.4 -13.7 84 98 A V < - 0 0 15 -4,-1.9 2,-0.3 -69,-0.1 59,-0.0 -0.419 47.3-177.2 -79.1 155.4 -17.4 22.1 -16.6 85 99 A N + 0 0 95 -2,-0.1 -73,-0.1 6,-0.1 6,-0.1 -0.792 21.5 138.1-154.8 102.9 -20.5 20.0 -17.1 86 100 A F > - 0 0 15 -2,-0.3 3,-1.7 3,-0.2 53,-0.0 -0.987 57.1-115.2-146.7 149.2 -20.9 17.7 -20.1 87 101 A P T 3 S+ 0 0 39 0, 0.0 -1,-0.1 0, 0.0 52,-0.0 0.828 115.0 44.5 -54.9 -37.2 -22.3 14.1 -20.5 88 102 A F T 3 S+ 0 0 0 47,-0.1 80,-2.9 79,-0.1 2,-0.4 0.150 96.0 94.6 -97.9 21.2 -18.9 12.6 -21.5 89 103 A L B < S-e 168 0B 5 -3,-1.7 -3,-0.2 78,-0.3 80,-0.2 -0.934 81.3-111.7-115.2 134.4 -16.9 14.4 -18.8 90 104 A V - 0 0 5 78,-2.7 2,-0.5 -2,-0.4 -4,-0.1 -0.271 38.1-124.0 -58.9 146.1 -16.0 12.9 -15.5 91 105 A K - 0 0 87 16,-0.1 16,-2.3 -6,-0.1 2,-0.5 -0.866 9.7-143.9-105.0 127.9 -17.8 14.7 -12.7 92 106 A L E +D 106 0A 29 -2,-0.5 14,-0.3 -11,-0.5 3,-0.1 -0.731 20.8 174.7 -85.8 125.8 -16.1 16.3 -9.7 93 107 A E E - 0 0 69 12,-3.4 2,-0.3 -2,-0.5 13,-0.2 0.841 63.0 -2.6 -97.3 -47.7 -18.2 15.9 -6.5 94 108 A F E -D 105 0A 41 11,-1.6 11,-2.8 2,-0.0 -1,-0.4 -0.930 56.2-167.1-141.0 166.5 -15.9 17.3 -3.8 95 109 A S E +D 104 0A 0 -2,-0.3 -72,-2.2 9,-0.2 -71,-0.5 -0.975 19.6 143.7-156.6 142.7 -12.4 18.8 -3.4 96 110 A F E -D 103 0A 7 7,-2.1 7,-3.3 -2,-0.3 2,-0.3 -0.959 25.8-142.1-165.4 178.5 -10.3 19.6 -0.4 97 111 A K E -D 102 0A 75 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.990 7.9-172.2-153.1 156.3 -6.7 19.6 1.0 98 112 A D - 0 0 37 3,-1.7 230,-0.2 -2,-0.3 226,-0.0 -0.525 56.9 -61.1-131.4-164.3 -4.9 18.9 4.2 99 113 A N S S+ 0 0 52 225,-0.2 229,-2.3 -2,-0.2 226,-0.1 0.778 129.8 17.1 -55.8 -35.3 -1.3 19.5 5.4 100 114 A S S S+ 0 0 9 227,-0.1 -38,-2.2 224,-0.1 -37,-0.4 0.678 117.6 45.9-112.7 -26.8 0.3 17.3 2.7 101 115 A N E -C 61 0A 8 -40,-0.2 -3,-1.7 -39,-0.1 2,-0.4 -0.814 54.6-139.0-125.5 168.9 -2.1 16.6 -0.1 102 116 A L E -CD 60 97A 0 -42,-2.0 -42,-2.8 -2,-0.3 2,-0.4 -0.952 29.2-158.7-118.2 135.1 -4.7 17.9 -2.5 103 117 A Y E -CD 59 96A 0 -7,-3.3 -7,-2.1 -2,-0.4 2,-0.5 -0.970 16.0-175.9-125.9 138.1 -7.7 15.8 -3.1 104 118 A M E -CD 58 95A 1 -46,-2.1 -46,-3.3 -2,-0.4 2,-0.6 -0.993 11.8-159.3-128.5 122.1 -10.3 15.6 -5.9 105 119 A V E +CD 57 94A 0 -11,-2.8 -12,-3.4 -2,-0.5 -11,-1.6 -0.915 18.7 175.0-107.5 116.4 -13.2 13.3 -5.5 106 120 A M E -CD 56 92A 9 -50,-3.0 -50,-2.3 -2,-0.6 -14,-0.2 -0.692 40.9 -80.6-114.0 171.5 -15.0 12.3 -8.7 107 121 A E E -C 55 0A 77 -16,-2.3 2,-0.5 -2,-0.2 -52,-0.2 -0.431 54.1-113.8 -67.4 140.9 -17.8 10.0 -9.8 108 122 A Y - 0 0 32 -54,-0.7 2,-0.9 -2,-0.1 -1,-0.1 -0.719 23.4-160.4 -86.2 122.1 -16.4 6.4 -10.0 109 123 A V > - 0 0 7 -2,-0.5 3,-0.9 1,-0.1 51,-0.2 -0.850 8.5-176.0-105.1 94.5 -16.4 5.0 -13.6 110 124 A A T 3 + 0 0 17 -2,-0.9 202,-0.3 1,-0.2 51,-0.1 0.464 61.8 87.9 -70.2 -6.9 -16.2 1.2 -13.0 111 125 A G T 3 S- 0 0 3 49,-1.0 -1,-0.2 1,-0.2 50,-0.1 0.590 91.3-124.7 -71.5 -9.9 -15.9 0.2 -16.7 112 126 A G < - 0 0 0 -3,-0.9 48,-2.2 48,-0.1 -1,-0.2 -0.070 39.2 -48.9 88.8 167.8 -12.1 0.5 -16.7 113 127 A E B > -F 159 0B 17 199,-0.3 4,-1.2 46,-0.2 3,-0.5 -0.449 43.8-126.3 -73.6 151.2 -9.8 2.5 -19.0 114 128 A M H > S+ 0 0 0 44,-3.2 4,-2.9 41,-0.9 5,-0.2 0.852 108.7 70.3 -62.7 -30.4 -10.4 2.3 -22.7 115 129 A F H > S+ 0 0 16 40,-1.2 4,-2.4 43,-0.4 -1,-0.2 0.894 95.6 46.7 -50.9 -52.6 -6.7 1.4 -22.7 116 130 A S H > S+ 0 0 29 -3,-0.5 4,-2.1 2,-0.2 -1,-0.2 0.935 115.3 45.0 -61.3 -47.1 -7.1 -2.0 -21.1 117 131 A H H X S+ 0 0 3 -4,-1.2 4,-2.7 2,-0.2 5,-0.3 0.910 112.5 52.3 -63.3 -42.7 -10.0 -3.1 -23.3 118 132 A L H X S+ 0 0 0 -4,-2.9 4,-1.4 1,-0.2 -1,-0.2 0.917 113.7 42.9 -60.8 -44.4 -8.2 -1.9 -26.4 119 133 A R H < S+ 0 0 58 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.813 115.2 49.1 -74.3 -27.3 -5.1 -3.8 -25.6 120 134 A R H < S+ 0 0 152 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.932 118.1 38.4 -73.9 -47.9 -6.9 -6.9 -24.6 121 135 A I H < S- 0 0 86 -4,-2.7 2,-0.8 -5,-0.2 -2,-0.2 0.664 101.7-131.8 -77.9 -19.6 -9.2 -7.1 -27.7 122 136 A G < - 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0 0 0 0, 0.0 3,-0.1 0, 0.0 -9,-0.1 -0.330 30.8-118.0 -74.1 160.9 -0.5 4.3 -32.8 223 237 A P S S+ 0 0 19 0, 0.0 2,-0.4 0, 0.0 19,-0.3 0.814 103.1 36.3 -65.9 -30.0 0.6 5.9 -36.1 224 238 A F S S+ 0 0 1 -35,-0.2 2,-0.3 17,-0.1 8,-0.1 -0.976 76.2 146.5-129.1 122.3 4.0 6.8 -34.8 225 239 A F + 0 0 32 -2,-0.4 2,-0.3 -3,-0.1 3,-0.0 -0.982 5.6 144.2-151.2 161.1 6.0 4.6 -32.3 226 240 A A - 0 0 12 -2,-0.3 6,-0.0 117,-0.1 -2,-0.0 -0.930 57.5 -87.0-174.5-176.1 9.5 3.6 -31.3 227 241 A D S S+ 0 0 85 -2,-0.3 3,-0.0 1,-0.1 -1,-0.0 0.750 107.6 42.3 -84.9 -24.2 11.4 2.7 -28.1 228 242 A Q S >> S- 0 0 121 1,-0.1 3,-1.4 -3,-0.0 4,-1.3 -0.979 78.7-127.7-127.3 136.2 12.6 6.2 -27.2 229 243 A P H 3> S+ 0 0 38 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.807 108.5 60.7 -46.4 -37.8 10.5 9.5 -27.3 230 244 A I H 3> S+ 0 0 108 1,-0.2 4,-1.3 2,-0.2 -3,-0.0 0.875 103.4 48.8 -61.6 -37.8 13.2 11.2 -29.4 231 245 A Q H <> S+ 0 0 86 -3,-1.4 4,-1.2 1,-0.2 -1,-0.2 0.814 109.8 54.6 -71.0 -29.7 12.8 8.6 -32.2 232 246 A I H X S+ 0 0 0 -4,-1.3 4,-2.1 2,-0.2 -2,-0.2 0.880 102.7 54.6 -70.7 -40.7 9.0 9.2 -32.0 233 247 A Y H X S+ 0 0 46 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.894 103.7 56.5 -61.2 -39.0 9.3 12.9 -32.5 234 248 A E H X S+ 0 0 124 -4,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.912 108.0 47.6 -58.7 -43.9 11.3 12.4 -35.6 235 249 A K H X>S+ 0 0 92 -4,-1.2 4,-1.3 1,-0.2 5,-0.6 0.907 111.2 50.1 -64.2 -44.3 8.4 10.3 -37.1 236 250 A I H <5S+ 0 0 0 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.888 110.5 50.4 -62.2 -40.9 5.8 12.8 -36.1 237 251 A V H <5S+ 0 0 57 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.831 104.5 56.8 -68.6 -33.0 7.7 15.7 -37.7 238 252 A S H <5S- 0 0 63 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.853 94.6-145.1 -67.6 -33.1 8.2 13.9 -41.0 239 253 A G T <5 + 0 0 29 -4,-1.3 2,-0.8 1,-0.2 -3,-0.1 0.605 44.9 147.4 78.7 11.9 4.5 13.5 -41.4 240 254 A K < + 0 0 168 -5,-0.6 2,-0.4 2,-0.0 -1,-0.2 -0.733 21.7 178.2 -85.6 111.0 4.8 10.1 -43.1 241 255 A V - 0 0 37 -2,-0.8 2,-0.4 -3,-0.1 -17,-0.1 -0.928 13.6-163.8-116.5 139.3 1.8 7.9 -42.1 242 256 A R - 0 0 203 -2,-0.4 -2,-0.0 -19,-0.3 0, 0.0 -0.963 12.2-146.8-122.1 135.2 1.0 4.4 -43.3 243 257 A F - 0 0 41 -2,-0.4 9,-0.0 1,-0.1 -28,-0.0 -0.787 20.8-106.3-105.0 147.9 -2.4 2.8 -42.9 244 258 A P > - 0 0 11 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.339 31.2-116.7 -66.5 148.4 -3.4 -0.8 -42.3 245 259 A S T 3 S+ 0 0 129 1,-0.3 -2,-0.0 -2,-0.0 0, 0.0 0.832 113.3 59.7 -53.0 -38.8 -4.8 -2.7 -45.3 246 260 A H T 3 S+ 0 0 82 -27,-0.0 2,-0.3 2,-0.0 -1,-0.3 0.545 78.2 114.0 -71.3 -7.8 -8.2 -3.1 -43.5 247 261 A F < - 0 0 6 -3,-2.0 -4,-0.1 1,-0.1 -28,-0.0 -0.506 68.8-123.6 -69.6 125.4 -8.7 0.7 -43.2 248 262 A S > - 0 0 39 -2,-0.3 4,-2.2 1,-0.1 5,-0.2 -0.209 18.6-113.6 -65.4 159.1 -11.7 1.9 -45.2 249 263 A S H > S+ 0 0 95 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.900 117.2 51.2 -60.2 -43.4 -11.2 4.6 -47.8 250 264 A D H > S+ 0 0 74 1,-0.2 4,-2.4 2,-0.2 32,-0.3 0.918 108.7 51.0 -61.5 -44.7 -13.4 7.0 -45.8 251 265 A L H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.913 109.1 50.9 -60.3 -43.1 -11.3 6.4 -42.7 252 266 A K H X S+ 0 0 51 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.864 109.8 51.4 -62.8 -35.5 -8.1 7.1 -44.5 253 267 A D H X S+ 0 0 56 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.934 111.1 46.0 -67.4 -45.7 -9.5 10.3 -45.9 254 268 A L H >X S+ 0 0 0 -4,-2.4 3,-1.3 1,-0.2 4,-1.1 0.979 112.9 51.0 -58.9 -57.2 -10.6 11.6 -42.5 255 269 A L H >X S+ 0 0 0 -4,-2.7 4,-3.3 1,-0.3 3,-0.7 0.848 105.0 55.3 -48.8 -43.7 -7.2 10.6 -41.0 256 270 A R H 3< S+ 0 0 139 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.819 110.1 48.2 -62.7 -28.6 -5.2 12.4 -43.7 257 271 A N H << S+ 0 0 37 -3,-1.3 10,-3.3 -4,-1.2 3,-0.3 0.641 117.3 39.7 -86.6 -14.4 -7.2 15.6 -42.8 258 272 A L H << S+ 0 0 0 -4,-1.1 2,-0.6 -3,-0.7 -2,-0.2 0.769 112.1 54.7-100.2 -36.2 -6.6 15.3 -39.0 259 273 A L S < S+ 0 0 13 -4,-3.3 2,-0.7 -5,-0.2 -1,-0.2 -0.245 80.2 140.2 -92.0 45.4 -3.0 14.1 -39.2 260 274 A Q - 0 0 54 -2,-0.6 6,-0.2 -3,-0.3 5,-0.1 -0.828 43.8-159.3 -95.5 112.2 -2.2 17.2 -41.3 261 275 A V S S+ 0 0 56 -2,-0.7 2,-1.1 -22,-0.1 -1,-0.1 0.797 79.4 77.4 -59.6 -31.2 1.2 18.8 -40.4 262 276 A D S >> S- 0 0 59 1,-0.2 3,-2.7 -3,-0.1 4,-1.0 -0.720 70.8-160.1 -84.7 101.4 0.1 22.1 -41.9 263 277 A L T 34 S+ 0 0 58 -2,-1.1 -1,-0.2 1,-0.3 -2,-0.1 0.538 87.1 68.0 -62.2 -1.4 -2.2 23.5 -39.3 264 278 A T T 34 S+ 0 0 95 1,-0.1 -1,-0.3 6,-0.0 -3,-0.1 0.486 110.5 33.8 -92.7 -4.2 -3.7 25.8 -42.0 265 279 A K T <4 S+ 0 0 117 -3,-2.7 -2,-0.2 -5,-0.1 2,-0.2 0.449 88.9 120.8-123.0 -11.3 -5.2 22.7 -43.6 266 280 A R >< - 0 0 0 -4,-1.0 3,-2.0 -6,-0.2 -8,-0.2 -0.379 69.8-112.8 -62.8 128.8 -5.9 20.6 -40.5 267 281 A F T 3 S+ 0 0 31 -10,-3.3 -7,-0.1 1,-0.3 7,-0.1 -0.255 104.4 34.0 -57.4 147.0 -9.6 19.6 -40.1 268 282 A G T 3 S+ 0 0 11 5,-0.7 -1,-0.3 -3,-0.1 6,-0.1 0.028 110.6 67.7 94.0 -28.2 -11.1 21.3 -37.1 269 283 A N S < S+ 0 0 58 -3,-2.0 -2,-0.2 4,-0.1 -3,-0.1 0.264 82.9 92.8-106.9 9.3 -8.9 24.4 -37.6 270 284 A L S > S- 0 0 57 3,-0.3 3,-1.9 -4,-0.2 6,-0.1 -0.260 95.9 -81.2 -94.1-176.8 -10.5 25.6 -40.8 271 285 A K T 3 S+ 0 0 212 1,-0.3 -1,-0.0 -2,-0.1 0, 0.0 0.912 128.3 49.2 -50.4 -52.5 -13.4 28.1 -41.5 272 286 A N T > S- 0 0 102 1,-0.2 3,-2.2 2,-0.1 -1,-0.3 0.348 91.8-165.9 -74.2 9.3 -16.1 25.6 -40.8 273 287 A G T X + 0 0 21 -3,-1.9 3,-1.2 1,-0.3 -5,-0.7 -0.093 67.4 1.1 44.9-130.2 -14.5 24.5 -37.6 274 288 A V T >> S+ 0 0 22 1,-0.2 4,-2.1 2,-0.2 3,-0.7 0.689 120.6 76.9 -62.1 -20.3 -15.9 21.3 -36.1 275 289 A N H <> S+ 0 0 65 -3,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.793 80.8 64.5 -64.7 -28.4 -18.3 20.9 -39.0 276 290 A D H <4 S+ 0 0 42 -3,-1.2 4,-0.3 -4,-0.2 -1,-0.2 0.875 111.1 40.8 -61.2 -33.5 -15.7 19.7 -41.5 277 291 A I H X4 S+ 0 0 0 -3,-0.7 3,-0.8 -4,-0.4 6,-0.3 0.924 114.6 48.9 -78.7 -49.4 -15.4 16.7 -39.2 278 292 A K H 3< S+ 0 0 22 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.883 115.2 44.8 -58.6 -42.5 -19.0 16.2 -38.4 279 293 A N T 3< S+ 0 0 122 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.548 87.5 120.6 -80.8 -8.8 -20.1 16.3 -42.1 280 294 A H S X S- 0 0 7 -3,-0.8 3,-1.5 -4,-0.3 4,-0.2 -0.202 76.5-112.4 -59.0 147.5 -17.2 14.0 -43.2 281 295 A K G > S+ 0 0 102 1,-0.3 3,-2.5 2,-0.2 4,-0.3 0.862 112.6 62.7 -45.5 -50.1 -18.1 10.8 -45.0 282 296 A W G 3 S+ 0 0 5 -32,-0.3 3,-0.3 1,-0.3 -1,-0.3 0.798 107.4 44.0 -50.5 -33.8 -16.9 8.5 -42.2 283 297 A F G X S+ 0 0 2 -3,-1.5 3,-1.9 -6,-0.3 -1,-0.3 0.247 79.2 112.4 -96.9 10.9 -19.5 10.0 -39.8 284 298 A A T < S+ 0 0 81 -3,-2.5 -1,-0.2 1,-0.3 -2,-0.1 0.855 79.9 45.3 -51.6 -42.6 -22.4 9.9 -42.3 285 299 A T T 3 S+ 0 0 114 -3,-0.3 2,-0.6 -4,-0.3 -1,-0.3 0.440 91.1 110.1 -82.5 -0.5 -24.3 7.2 -40.4 286 300 A T < - 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