==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 09-MAY-07 2PVJ . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR Z.NIE,C.PERRETTA,P.ERICKSON,S.MARGOSIAK,R.ALMASSY,J.LU, . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15980.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 65.4 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 . 39 11.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 25 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 4 0 1 2 1 0 1 0 1 1 0 0 1 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 . 0 1 0 1 2 0 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 1 0 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 6 A M 0 0 211 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 112.6 19.9 -12.7 -11.5 2 7 A S + 0 0 4 201,-0.1 178,-0.5 178,-0.1 2,-0.3 -0.880 360.0 175.5-116.2 145.9 17.8 -10.8 -8.9 3 8 A K - 0 0 137 -2,-0.4 202,-0.1 176,-0.1 5,-0.1 -0.983 38.7 -90.9-144.8 154.2 16.6 -7.2 -8.9 4 9 A A - 0 0 2 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.337 25.5-142.4 -62.0 144.7 14.5 -5.0 -6.7 5 10 A R S S+ 0 0 156 2,-0.1 2,-0.3 3,-0.1 -1,-0.1 0.596 85.2 32.4 -85.0 -13.3 10.8 -5.0 -7.6 6 11 A V S S+ 0 0 56 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.958 120.0 13.5-139.5 156.5 10.5 -1.3 -6.8 7 12 A Y S > S+ 0 0 66 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.714 74.7 143.4 52.4 25.9 12.8 1.7 -6.9 8 13 A A T 3 + 0 0 21 1,-0.2 3,-0.3 -4,-0.2 4,-0.2 0.858 69.0 40.8 -64.0 -35.8 15.2 -0.2 -9.1 9 14 A D T 3> S+ 0 0 87 1,-0.2 4,-2.2 2,-0.1 -1,-0.2 0.214 77.2 110.6-101.2 16.8 16.3 2.7 -11.3 10 15 A V H <> S+ 0 0 16 -3,-1.0 4,-1.2 1,-0.2 -1,-0.2 0.933 88.9 35.9 -56.4 -48.6 16.6 5.5 -8.7 11 16 A N H 4 S+ 0 0 3 166,-0.5 -1,-0.2 -4,-0.3 8,-0.2 0.698 111.6 62.1 -80.0 -16.2 20.3 5.7 -8.9 12 17 A V H 4 S+ 0 0 96 1,-0.2 -2,-0.2 -4,-0.2 -1,-0.2 0.893 110.2 40.1 -72.3 -38.6 20.3 5.0 -12.7 13 18 A L H < S+ 0 0 132 -4,-2.2 -2,-0.2 2,-0.1 -1,-0.2 0.737 103.5 79.8 -82.8 -24.9 18.3 8.2 -13.3 14 19 A R S < S- 0 0 77 -4,-1.2 5,-0.1 -5,-0.2 2,-0.0 -0.469 84.6-106.3 -84.1 157.2 20.1 10.4 -10.8 15 20 A P >> - 0 0 73 0, 0.0 3,-1.9 0, 0.0 4,-0.9 -0.222 32.3 -99.7 -76.4 170.5 23.4 12.1 -11.6 16 21 A K H 3> S+ 0 0 126 1,-0.3 4,-2.3 2,-0.2 7,-0.2 0.745 116.6 73.7 -60.9 -25.9 26.8 11.2 -10.2 17 22 A E H 34 S+ 0 0 115 1,-0.2 -1,-0.3 2,-0.2 -3,-0.0 0.732 101.0 46.7 -62.3 -17.9 26.6 14.0 -7.7 18 23 A Y H <4 S+ 0 0 27 -3,-1.9 -2,-0.2 -7,-0.1 -1,-0.2 0.930 126.5 17.0 -89.3 -52.3 24.0 11.8 -5.9 19 24 A W H < S+ 0 0 83 -4,-0.9 2,-2.1 -8,-0.2 3,-0.2 0.528 95.5 93.6-102.2 -9.5 25.6 8.3 -5.7 20 25 A D >< + 0 0 64 -4,-2.3 3,-1.7 -5,-0.2 4,-0.2 -0.466 47.9 164.3 -83.5 69.0 29.3 8.9 -6.3 21 26 A Y G > + 0 0 21 -2,-2.1 3,-1.5 1,-0.3 -1,-0.2 0.746 63.7 67.4 -60.4 -27.3 30.0 9.2 -2.6 22 27 A E G 3 S+ 0 0 98 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.723 92.8 62.4 -67.2 -17.8 33.8 8.7 -3.0 23 28 A A G < S+ 0 0 65 -3,-1.7 -1,-0.3 -7,-0.2 -2,-0.2 0.558 79.8 118.8 -82.5 -8.2 33.8 12.1 -4.8 24 29 A L < - 0 0 24 -3,-1.5 2,-0.6 -4,-0.2 50,-0.1 -0.279 55.3-149.9 -61.4 139.8 32.6 13.8 -1.6 25 30 A T - 0 0 102 49,-0.0 2,-0.2 2,-0.0 -1,-0.1 -0.954 21.0-131.9-112.8 110.6 34.8 16.5 0.0 26 31 A V - 0 0 24 -2,-0.6 2,-0.7 1,-0.1 48,-0.0 -0.442 11.6-150.1 -67.2 129.1 34.1 16.4 3.8 27 32 A Q - 0 0 139 -2,-0.2 68,-0.3 69,-0.0 2,-0.2 -0.888 17.2-144.6-101.9 108.5 33.6 19.9 5.3 28 33 A W - 0 0 96 -2,-0.7 68,-0.2 66,-0.1 2,-0.1 -0.504 10.9-157.0 -78.1 139.7 34.8 19.8 8.9 29 34 A G - 0 0 32 66,-3.1 2,-0.6 -2,-0.2 68,-0.3 -0.069 35.7 -74.4 -94.0-159.6 33.0 21.8 11.6 30 35 A E > - 0 0 93 1,-0.1 3,-1.8 66,-0.1 4,-0.3 -0.905 25.7-156.3-108.6 119.9 34.4 23.1 14.9 31 36 A Q G > S+ 0 0 64 -2,-0.6 3,-2.0 1,-0.3 -1,-0.1 0.865 92.5 66.1 -57.0 -38.1 35.0 20.6 17.7 32 37 A D G 3 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.580 85.6 71.3 -63.8 -9.2 34.8 23.4 20.2 33 38 A D G < S+ 0 0 41 -3,-1.8 21,-2.3 20,-0.1 22,-0.6 0.693 99.4 54.6 -78.6 -17.0 31.1 23.9 19.4 34 39 A Y E < -A 53 0A 28 -3,-2.0 2,-0.4 -4,-0.3 19,-0.2 -0.941 63.1-174.0-124.2 139.6 30.3 20.6 21.1 35 40 A E E -A 52 0A 118 17,-2.0 17,-1.7 -2,-0.4 2,-0.2 -0.980 28.9-110.9-131.9 144.6 31.0 19.3 24.6 36 41 A V E +A 51 0A 82 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.498 29.2 174.4 -74.4 136.4 30.5 15.9 26.2 37 42 A V E - 0 0 81 13,-3.1 2,-0.3 1,-0.4 14,-0.2 0.753 67.1 -24.3-107.0 -43.7 27.8 15.6 28.9 38 43 A R E -A 50 0A 132 12,-1.6 12,-3.6 0, 0.0 -1,-0.4 -0.943 62.7-104.9-169.1 148.0 27.8 11.9 29.5 39 44 A K E +A 49 0A 108 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.634 34.6 173.1 -78.6 135.7 28.7 8.6 27.8 40 45 A V E - 0 0 68 8,-2.7 2,-0.3 1,-0.3 9,-0.2 0.537 56.6 -10.0-119.3 -14.2 25.5 6.8 26.7 41 46 A G E -A 48 0A 26 7,-2.0 7,-3.0 2,-0.0 -1,-0.3 -0.996 47.4-152.3-173.0 171.8 26.9 3.9 24.6 42 47 A R E +A 47 0A 197 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.974 15.8 164.1-152.3 160.1 29.7 2.1 22.9 43 48 A G - 0 0 26 3,-1.4 -2,-0.0 -2,-0.3 0, 0.0 -0.939 54.9 -83.9-163.6-179.3 30.2 -0.3 19.9 44 49 A K S S+ 0 0 145 -2,-0.3 3,-0.1 1,-0.2 22,-0.1 0.716 126.9 42.9 -71.5 -17.6 32.8 -1.7 17.6 45 50 A Y S S- 0 0 110 1,-0.3 21,-2.0 20,-0.1 2,-0.3 0.725 123.9 -15.9 -99.7 -25.7 32.4 1.4 15.4 46 51 A S E - B 0 65A 12 19,-0.2 -3,-1.4 59,-0.0 2,-0.5 -0.995 53.7-110.3-169.7 167.3 32.3 4.2 17.9 47 52 A E E -AB 42 64A 76 17,-2.0 17,-2.6 -2,-0.3 2,-0.4 -0.924 38.4-146.7-107.9 134.3 31.8 5.5 21.5 48 53 A V E +AB 41 63A 17 -7,-3.0 -8,-2.7 -2,-0.5 -7,-2.0 -0.892 18.6 177.1-113.2 133.2 28.6 7.5 22.0 49 54 A F E -AB 39 62A 31 13,-2.6 13,-2.7 -2,-0.4 2,-0.5 -0.935 33.6-120.5-130.9 151.8 28.0 10.5 24.2 50 55 A E E +AB 38 61A 18 -12,-3.6 -13,-3.1 -2,-0.3 -12,-1.6 -0.770 48.8 176.1 -83.6 133.5 25.2 12.8 25.0 51 56 A G E -AB 36 60A 0 9,-3.1 9,-1.9 -2,-0.5 2,-0.3 -0.705 24.6-135.4-130.7-176.2 26.5 16.2 24.2 52 57 A I E -AB 35 59A 45 -17,-1.7 -17,-2.0 7,-0.3 2,-0.8 -0.997 18.9-124.5-145.3 142.1 25.5 19.8 24.0 53 58 A N E > -A 34 0A 20 5,-2.7 4,-2.3 -2,-0.3 5,-0.4 -0.804 19.6-154.8 -86.2 113.3 26.1 22.6 21.4 54 59 A V T 4 S+ 0 0 56 -21,-2.3 -1,-0.1 -2,-0.8 -20,-0.1 0.696 89.0 56.9 -63.3 -19.8 27.7 25.4 23.4 55 60 A N T 4 S+ 0 0 110 -22,-0.6 -1,-0.2 1,-0.1 -21,-0.1 0.965 126.2 12.8 -76.2 -56.1 26.4 27.9 20.9 56 61 A N T 4 S- 0 0 74 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.404 94.7-126.4-102.8 0.2 22.7 27.3 21.0 57 62 A N < + 0 0 119 -4,-2.3 2,-0.3 1,-0.2 -3,-0.2 0.736 59.2 147.8 60.4 23.9 22.7 25.1 24.1 58 63 A E - 0 0 129 -5,-0.4 -5,-2.7 1,-0.1 -1,-0.2 -0.695 49.5-112.6 -92.3 143.8 20.8 22.4 22.2 59 64 A K E +B 52 0A 123 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.293 41.9 165.9 -70.6 156.8 21.4 18.7 23.0 60 65 A C E -BC 51 109A 2 -9,-1.9 -9,-3.1 49,-0.2 2,-0.5 -0.939 35.1-111.0-158.6 175.8 23.1 16.4 20.5 61 66 A I E -BC 50 108A 22 47,-2.8 47,-3.2 -2,-0.3 2,-0.5 -0.988 24.6-158.8-122.0 125.7 24.7 13.0 20.2 62 67 A I E -BC 49 107A 11 -13,-2.7 -13,-2.6 -2,-0.5 2,-0.6 -0.915 4.4-169.0-107.9 122.2 28.5 12.7 19.6 63 68 A K E -BC 48 106A 20 43,-2.6 43,-2.4 -2,-0.5 2,-0.8 -0.937 8.4-157.1-113.4 109.4 29.8 9.6 18.1 64 69 A I E -BC 47 105A 56 -17,-2.6 -17,-2.0 -2,-0.6 41,-0.2 -0.784 22.3-138.0 -86.6 112.7 33.6 9.4 18.3 65 70 A L E -B 46 0A 17 39,-2.2 -19,-0.2 -2,-0.8 3,-0.1 -0.461 2.5-135.9 -78.7 141.5 34.6 7.0 15.5 66 71 A K - 0 0 94 -21,-2.0 -1,-0.1 1,-0.2 -22,-0.0 -0.449 63.6 -48.2 -82.8 165.3 37.3 4.4 15.9 67 72 A P S S+ 0 0 141 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.047 73.5 174.4 -38.9 124.2 39.7 4.1 12.9 68 73 A V - 0 0 53 -3,-0.1 2,-0.1 3,-0.0 -3,-0.0 -0.988 32.3-106.7-138.8 146.5 37.7 4.0 9.7 69 74 A K > - 0 0 165 -2,-0.3 4,-2.2 1,-0.1 5,-0.3 -0.419 28.0-120.8 -72.5 146.9 38.7 4.0 6.0 70 75 A K H > S+ 0 0 149 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.883 112.3 53.7 -52.4 -44.6 38.1 7.1 4.0 71 76 A K H > S+ 0 0 108 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.925 109.6 47.5 -58.9 -46.7 35.8 5.3 1.6 72 77 A K H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.906 112.2 46.6 -64.6 -45.2 33.6 4.0 4.3 73 78 A I H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.874 110.2 54.2 -68.3 -33.9 33.1 7.2 6.2 74 79 A K H X S+ 0 0 32 -4,-2.1 4,-2.7 -5,-0.3 -1,-0.2 0.877 106.3 53.7 -65.4 -35.1 32.4 9.1 3.0 75 80 A R H X S+ 0 0 32 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.932 109.9 45.9 -64.7 -46.0 29.6 6.6 2.2 76 81 A E H X S+ 0 0 19 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.926 115.1 47.4 -63.8 -44.3 27.9 7.2 5.6 77 82 A I H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 111.8 49.0 -63.4 -46.2 28.2 10.9 5.3 78 83 A K H X S+ 0 0 35 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.910 112.3 48.3 -61.2 -42.8 26.9 11.1 1.7 79 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.921 110.4 51.0 -64.7 -43.6 23.9 8.8 2.6 80 85 A L H < S+ 0 0 5 -4,-2.3 4,-0.4 1,-0.2 12,-0.2 0.903 113.0 46.7 -60.5 -40.2 23.0 10.9 5.7 81 86 A Q H >< S+ 0 0 92 -4,-2.3 3,-1.0 1,-0.2 -2,-0.2 0.913 110.9 51.2 -68.4 -42.4 23.1 14.1 3.5 82 87 A N H 3< S+ 0 0 29 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.828 113.8 44.9 -63.8 -31.9 21.1 12.5 0.7 83 88 A L T >< S+ 0 0 0 -4,-2.0 3,-2.3 -5,-0.2 -1,-0.2 0.423 81.9 138.0 -93.4 1.0 18.4 11.4 3.2 84 89 A X T < S+ 0 0 76 -3,-1.0 7,-0.1 -4,-0.4 6,-0.1 -0.186 72.8 13.8 -51.3 128.6 18.3 14.7 5.1 85 90 A G T 3 S+ 0 0 66 4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.343 91.8 137.1 88.3 -7.7 14.8 15.8 6.0 86 91 A G S X S- 0 0 9 -3,-2.3 3,-1.8 1,-0.2 -1,-0.3 -0.335 70.2 -73.0 -70.7 156.6 13.2 12.4 5.2 87 92 A P T 3 S- 0 0 61 0, 0.0 54,-0.2 0, 0.0 -1,-0.2 -0.276 111.2 -15.5 -54.3 118.8 10.6 11.0 7.6 88 93 A N T 3 S+ 0 0 22 1,-0.2 80,-2.9 -2,-0.1 2,-0.6 0.681 94.0 144.0 58.5 24.3 12.2 9.7 10.8 89 94 A I B < -e 168 0B 4 -3,-1.8 -4,-0.3 78,-0.2 -1,-0.2 -0.823 57.3-111.5 -93.3 124.2 15.7 9.8 9.4 90 95 A V - 0 0 6 78,-1.9 2,-0.5 -2,-0.6 -4,-0.1 -0.214 32.2-122.1 -55.3 141.9 18.3 10.8 12.0 91 96 A K - 0 0 82 -7,-0.1 18,-1.7 -6,-0.1 2,-0.7 -0.768 9.8-144.2 -93.5 128.9 19.8 14.2 11.3 92 97 A L E +D 108 0A 28 -2,-0.5 16,-0.3 -12,-0.2 3,-0.1 -0.824 20.2 179.9 -88.7 116.4 23.6 14.6 10.9 93 98 A L E - 0 0 80 14,-2.9 2,-0.3 -2,-0.7 15,-0.2 0.854 56.7 -17.8 -87.1 -39.2 24.3 18.0 12.5 94 99 A D E -D 107 0A 39 13,-1.5 13,-2.8 -65,-0.1 2,-0.4 -0.980 45.9-138.2-161.2 169.5 28.1 18.2 12.0 95 100 A I E +D 106 0A 11 -68,-0.3 -66,-3.1 -2,-0.3 2,-0.3 -0.977 31.3 167.5-138.6 119.0 31.3 16.4 11.3 96 101 A V E -D 105 0A 5 9,-2.4 9,-3.2 -2,-0.4 2,-0.3 -0.869 15.2-158.7-131.6 166.2 34.5 17.3 13.2 97 102 A R E -D 104 0A 97 -68,-0.3 2,-0.5 -2,-0.3 -66,-0.3 -0.993 24.0-115.2-145.9 151.6 38.0 15.9 13.8 98 103 A D > - 0 0 53 5,-2.3 4,-2.4 -2,-0.3 5,-0.2 -0.753 24.6-144.1 -86.6 128.0 40.8 16.1 16.3 99 104 A Q T 4 S+ 0 0 163 -2,-0.5 -1,-0.1 2,-0.2 0, 0.0 0.950 93.1 42.1 -56.7 -57.4 43.9 17.7 14.7 100 105 A H T 4 S+ 0 0 180 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.878 130.3 24.9 -62.0 -42.5 46.6 15.7 16.5 101 106 A S T 4 S- 0 0 61 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.648 91.2-137.4 -98.0 -17.9 45.0 12.3 16.3 102 107 A K < + 0 0 115 -4,-2.4 -3,-0.2 1,-0.3 -2,-0.1 0.714 45.6 159.6 65.8 21.3 42.8 12.9 13.2 103 108 A T - 0 0 50 -5,-0.2 -5,-2.3 -36,-0.1 -1,-0.3 -0.634 30.1-144.6 -76.0 122.4 40.0 11.0 15.1 104 109 A P E - D 0 97A 17 0, 0.0 -39,-2.2 0, 0.0 2,-0.4 -0.603 12.1-161.4 -91.9 154.3 36.7 12.0 13.5 105 110 A S E -CD 64 96A 8 -9,-3.2 -9,-2.4 -41,-0.2 2,-0.5 -0.999 9.1-146.3-134.3 135.4 33.4 12.5 15.3 106 111 A L E -CD 63 95A 1 -43,-2.4 -43,-2.6 -2,-0.4 2,-0.6 -0.881 13.9-150.0-101.6 130.4 29.9 12.6 13.8 107 112 A I E +CD 62 94A 1 -13,-2.8 -14,-2.9 -2,-0.5 -13,-1.5 -0.901 21.5 177.5-105.0 121.0 27.4 14.9 15.5 108 113 A F E -CD 61 92A 6 -47,-3.2 -47,-2.8 -2,-0.6 -16,-0.2 -0.730 36.6 -86.3-118.6 168.0 23.7 13.9 15.4 109 114 A E E -C 60 0A 26 -18,-1.7 2,-0.4 -2,-0.2 -49,-0.2 -0.370 51.3-111.6 -67.5 150.2 20.4 15.1 16.8 110 115 A Y - 0 0 31 -51,-0.6 2,-0.4 -50,-0.1 -1,-0.1 -0.710 31.6-174.8 -90.0 134.7 19.6 13.9 20.3 111 116 A V - 0 0 11 -2,-0.4 2,-2.3 48,-0.1 48,-0.1 -0.998 28.4-130.5-127.6 126.5 16.8 11.4 20.9 112 117 A N - 0 0 72 -2,-0.4 49,-0.4 46,-0.1 50,-0.2 -0.486 40.9-171.7 -78.6 77.4 15.9 10.5 24.5 113 118 A N - 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0 0 2 -4,-1.6 4,-0.8 -5,-0.4 27,-0.2 0.147 13.1 -98.2 91.2 150.0 10.6 -25.2 7.4 246 251 A T H > S+ 0 0 2 25,-2.6 4,-2.8 1,-0.2 5,-0.2 0.713 112.7 71.7 -77.7 -19.9 13.2 -26.6 5.1 247 252 A D H > S+ 0 0 116 24,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.949 101.2 44.3 -60.0 -47.7 10.8 -27.1 2.2 248 253 A G H > S+ 0 0 30 -4,-0.4 4,-2.1 1,-0.2 -1,-0.2 0.822 112.4 52.9 -65.9 -31.6 10.6 -23.3 1.7 249 254 A L H X S+ 0 0 2 -4,-0.8 4,-2.9 2,-0.2 -1,-0.2 0.923 108.3 50.0 -69.1 -44.0 14.4 -23.1 2.0 250 255 A N H X S+ 0 0 77 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.925 111.3 48.4 -59.2 -46.5 14.9 -25.8 -0.6 251 256 A A H X S+ 0 0 60 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.924 111.9 50.8 -59.6 -44.4 12.6 -24.0 -3.0 252 257 A Y H X S+ 0 0 5 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.932 110.9 47.2 -58.5 -50.2 14.4 -20.7 -2.3 253 258 A L H <>S+ 0 0 13 -4,-2.9 5,-2.9 1,-0.2 -1,-0.2 0.869 112.4 50.2 -62.1 -38.0 17.8 -22.3 -3.0 254 259 A N H ><5S+ 0 0 115 -4,-2.4 3,-1.1 3,-0.2 -1,-0.2 0.907 105.8 55.9 -68.8 -40.6 16.6 -23.9 -6.2 255 260 A K H 3<5S+ 0 0 93 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.867 118.4 32.5 -59.8 -38.7 15.1 -20.7 -7.6 256 261 A Y T 3<5S- 0 0 31 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.226 109.7-118.1-104.2 14.0 18.4 -18.8 -7.3 257 262 A R T < 5 + 0 0 210 -3,-1.1 2,-0.4 -4,-0.2 -3,-0.2 0.913 56.6 160.9 49.9 51.8 20.6 -21.8 -8.0 258 263 A I < - 0 0 34 -5,-2.9 2,-0.5 -6,-0.1 -1,-0.2 -0.845 28.6-158.2-106.6 140.5 22.3 -21.6 -4.7 259 264 A E - 0 0 187 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.971 16.9-135.3-118.9 118.0 24.2 -24.5 -3.1 260 265 A L - 0 0 20 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.382 33.7 -95.8 -69.5 149.6 24.7 -24.4 0.7 261 266 A D >> - 0 0 72 1,-0.1 4,-2.6 -2,-0.1 3,-0.6 -0.436 38.1-115.8 -63.4 139.4 28.2 -25.3 2.0 262 267 A P H 3> S+ 0 0 105 0, 0.0 4,-1.9 0, 0.0 5,-0.1 0.854 116.0 50.7 -44.5 -45.0 28.2 -29.0 2.9 263 268 A Q H 3> S+ 0 0 126 1,-0.2 4,-1.8 2,-0.2 5,-0.1 0.898 112.0 47.3 -63.1 -40.6 28.7 -28.2 6.6 264 269 A L H <> S+ 0 0 3 -3,-0.6 4,-2.2 2,-0.2 -1,-0.2 0.919 108.2 53.9 -67.3 -45.3 25.8 -25.8 6.6 265 270 A E H X S+ 0 0 130 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.893 109.2 50.7 -56.1 -40.6 23.4 -28.1 4.8 266 271 A A H < S+ 0 0 77 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.906 109.1 49.5 -65.0 -43.6 24.2 -30.7 7.5 267 272 A L H < S+ 0 0 99 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.841 109.6 52.7 -65.4 -34.0 23.4 -28.3 10.4 268 273 A V H < S+ 0 0 4 -4,-2.2 -1,-0.2 1,-0.1 -2,-0.2 0.892 81.6 165.2 -69.9 -40.5 20.1 -27.3 8.8 269 274 A G < - 0 0 44 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.1 -0.240 50.6 -45.6 58.9-146.1 18.8 -30.8 8.4 270 275 A R + 0 0 154 -25,-0.0 2,-0.3 -28,-0.0 -1,-0.0 -0.984 61.1 172.7-125.7 134.1 15.1 -31.2 7.7 271 276 A H - 0 0 47 -2,-0.4 -25,-2.6 -30,-0.1 -24,-0.6 -1.000 27.5-126.6-144.1 143.1 12.4 -29.3 9.5 272 277 A S - 0 0 64 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.2 -0.549 41.1 -97.9 -84.2 151.7 8.6 -28.9 9.2 273 278 A R - 0 0 156 -29,-0.2 -29,-0.2 -2,-0.2 -30,-0.1 -0.514 37.0-142.2 -70.3 133.4 7.1 -25.4 9.0 274 279 A K - 0 0 67 -31,-3.2 -1,-0.1 -2,-0.2 -29,-0.0 -0.876 17.4-117.2-103.5 122.4 5.8 -24.3 12.4 275 280 A P > - 0 0 74 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.229 21.9-123.2 -54.9 140.6 2.6 -22.2 12.5 276 281 A W G > S+ 0 0 19 1,-0.3 3,-1.3 2,-0.2 -2,-0.0 0.758 108.0 66.4 -57.5 -26.7 3.1 -18.7 13.9 277 282 A L G > S+ 0 0 91 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.614 79.7 78.4 -73.1 -11.1 0.5 -19.4 16.6 278 283 A K G < S+ 0 0 160 -3,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.636 90.9 56.5 -70.4 -11.7 2.7 -22.0 18.2 279 284 A F G < S+ 0 0 59 -3,-1.3 2,-0.3 -4,-0.2 -1,-0.3 0.333 84.1 112.0 -99.3 3.9 4.6 -19.0 19.7 280 285 A M < + 0 0 95 -3,-1.6 2,-0.3 3,-0.1 5,-0.1 -0.597 38.8 156.6 -81.8 138.5 1.5 -17.6 21.3 281 286 A N > - 0 0 72 -2,-0.3 3,-0.9 1,-0.0 4,-0.1 -0.935 58.2 -85.3-151.6 171.6 1.3 -17.7 25.1 282 287 A A G > S+ 0 0 84 -2,-0.3 3,-0.6 1,-0.2 4,-0.3 0.772 124.3 55.2 -53.1 -28.9 -0.4 -15.9 28.0 283 288 A D G 3 S+ 0 0 118 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.833 116.3 33.1 -76.3 -33.8 2.3 -13.2 28.0 284 289 A N G X S+ 0 0 0 -3,-0.9 3,-0.6 1,-0.1 4,-0.4 -0.047 87.0 106.1-113.1 31.2 1.9 -12.3 24.3 285 290 A Q G X S+ 0 0 136 -3,-0.6 3,-0.9 1,-0.2 -1,-0.1 0.887 72.7 57.0 -78.1 -39.5 -1.8 -12.8 23.9 286 291 A H G 3 S+ 0 0 105 -4,-0.3 -1,-0.2 1,-0.2 -161,-0.2 0.385 114.0 44.1 -74.1 10.7 -3.0 -9.2 23.8 287 292 A L G < S+ 0 0 1 -3,-0.6 -1,-0.2 -66,-0.2 -2,-0.2 0.436 90.4 76.8-132.9 -1.2 -0.6 -8.7 20.9 288 293 A V < + 0 0 12 -3,-0.9 5,-0.1 -4,-0.4 -2,-0.1 -0.176 56.2 156.4-112.0 46.1 -0.9 -11.6 18.4 289 294 A S > - 0 0 36 1,-0.1 4,-2.1 -3,-0.1 3,-0.2 -0.037 59.4 -98.8 -61.2 166.2 -4.2 -11.0 16.5 290 295 A P H > S+ 0 0 113 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.843 124.1 54.9 -57.9 -34.1 -4.8 -12.4 13.0 291 296 A E H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 27,-0.2 0.899 107.5 49.4 -66.3 -41.0 -3.8 -9.1 11.4 292 297 A A H > S+ 0 0 0 -3,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.918 113.8 45.8 -63.7 -44.8 -0.4 -9.2 13.2 293 298 A I H X S+ 0 0 26 -4,-2.1 4,-3.0 2,-0.2 -2,-0.2 0.919 112.3 50.1 -64.9 -44.9 0.2 -12.7 12.1 294 299 A D H X S+ 0 0 59 -4,-2.7 4,-1.4 2,-0.2 -2,-0.2 0.927 113.5 46.4 -60.0 -44.6 -0.8 -12.1 8.5 295 300 A F H < S+ 0 0 0 -4,-2.5 4,-0.4 2,-0.2 3,-0.4 0.942 113.9 47.4 -62.9 -48.8 1.5 -9.0 8.4 296 301 A L H >X S+ 0 0 0 -4,-2.7 4,-2.6 1,-0.2 3,-1.7 0.919 108.5 55.7 -58.8 -44.1 4.4 -10.9 10.0 297 302 A D H 3< S+ 0 0 27 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.823 105.0 52.8 -58.7 -32.7 3.9 -13.8 7.6 298 303 A K T 3< S+ 0 0 69 -4,-1.4 10,-1.8 -3,-0.4 -1,-0.3 0.496 112.7 44.8 -82.8 -4.6 4.2 -11.5 4.6 299 304 A L T <4 S+ 0 0 0 -3,-1.7 2,-1.7 -4,-0.4 -2,-0.2 0.802 102.9 63.4-101.4 -47.0 7.5 -10.1 5.9 300 305 A L < + 0 0 2 -4,-2.6 2,-0.4 -86,-0.1 -1,-0.2 -0.554 69.2 135.4 -85.5 78.1 9.3 -13.3 6.9 301 306 A R - 0 0 66 -2,-1.7 6,-0.1 -3,-0.2 -3,-0.0 -0.949 56.3-135.1-121.2 142.0 9.6 -15.1 3.6 302 307 A Y S S+ 0 0 14 -2,-0.4 2,-0.7 1,-0.1 -106,-0.2 0.963 94.1 71.9 -58.8 -53.0 12.8 -16.9 2.5 303 308 A D S >> S- 0 0 9 1,-0.2 3,-1.9 -3,-0.1 4,-0.8 -0.545 73.3-156.3 -69.5 109.3 12.5 -15.4 -1.0 304 309 A H T 34 S+ 0 0 2 -2,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.783 92.1 63.0 -56.9 -28.3 13.3 -11.7 -0.6 305 310 A Q T 34 S+ 0 0 47 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.721 99.4 54.7 -71.1 -20.0 11.3 -11.0 -3.8 306 311 A E T <4 S+ 0 0 103 -3,-1.9 -1,-0.2 2,-0.1 -2,-0.2 0.738 86.0 103.5 -83.3 -26.5 8.1 -12.3 -2.1 307 312 A R S < S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.4 -9,-0.1 -0.164 82.6 -99.3 -60.0 150.0 8.3 -9.9 0.9 308 313 A L - 0 0 25 -10,-1.8 2,-0.1 -13,-0.2 -1,-0.1 -0.393 37.3-124.2 -64.7 145.5 6.1 -6.9 1.2 309 314 A T > - 0 0 26 1,-0.1 4,-2.7 -3,-0.1 5,-0.2 -0.439 30.1-103.4 -81.6 168.2 7.8 -3.7 0.2 310 315 A A H > S+ 0 0 2 1,-0.2 4,-2.2 2,-0.2 -170,-0.2 0.891 123.8 52.2 -62.2 -37.4 7.9 -1.0 2.8 311 316 A L H > S+ 0 0 91 2,-0.2 4,-0.9 1,-0.2 -1,-0.2 0.919 111.3 46.1 -64.5 -44.2 5.1 0.9 0.9 312 317 A E H >> S+ 0 0 82 1,-0.2 3,-0.8 2,-0.2 4,-0.6 0.923 110.1 54.6 -63.1 -44.3 2.9 -2.2 0.8 313 318 A A H >< S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.3 6,-0.2 0.914 103.0 56.0 -55.9 -45.9 3.6 -2.9 4.5 314 319 A M H 3< S+ 0 0 24 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.784 108.2 49.1 -58.3 -28.8 2.4 0.6 5.5 315 320 A T H << S+ 0 0 87 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.503 80.6 120.1 -91.5 -4.4 -0.9 -0.1 3.7 316 321 A H S X< S- 0 0 11 -3,-1.5 3,-2.3 -4,-0.6 4,-0.1 -0.340 76.4-118.5 -60.3 139.3 -1.6 -3.5 5.4 317 322 A P G > S+ 0 0 69 0, 0.0 3,-2.2 0, 0.0 4,-0.3 0.710 107.1 80.7 -52.8 -21.3 -4.9 -3.4 7.4 318 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.854 98.7 41.3 -53.9 -34.2 -2.8 -4.1 10.5 319 324 A F G <> S+ 0 0 0 -3,-2.3 4,-2.5 -6,-0.2 -1,-0.3 0.246 79.9 114.8 -97.9 11.9 -2.0 -0.4 10.5 320 325 A Q H <> S+ 0 0 107 -3,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.856 78.0 47.2 -53.6 -39.7 -5.5 0.9 9.6 321 326 A Q H > S+ 0 0 108 -4,-0.3 4,-2.5 -3,-0.3 -1,-0.2 0.906 110.9 51.5 -69.7 -39.9 -6.1 2.6 13.0 322 327 A V H > S+ 0 0 4 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.912 112.8 46.3 -61.9 -42.4 -2.6 4.3 12.9 323 328 A R H X S+ 0 0 58 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.933 111.7 50.6 -65.9 -45.5 -3.4 5.6 9.4 324 329 A A H < S+ 0 0 60 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.902 110.4 49.5 -59.0 -43.4 -6.8 6.8 10.3 325 330 A A H < S+ 0 0 68 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.872 109.5 52.3 -64.2 -37.3 -5.5 8.7 13.3 326 331 A E H < 0 0 98 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.856 360.0 360.0 -67.7 -35.6 -2.8 10.3 11.2 327 332 A N < 0 0 160 -4,-2.0 0, 0.0 -5,-0.1 0, 0.0 -0.247 360.0 360.0 -88.8 360.0 -5.4 11.5 8.7