==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 13-MAY-05 1ZOG . COMPND 2 MOLECULE: PROTEIN KINASE CK2, ALPHA SUBUNIT; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR R.BATTISTUTTA,M.MAZZORANA,S.SARNO,Z.KAZIMIERCZUK,G.ZANOTTI, . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14934.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 223 68.6 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 12.0 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 . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 14.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 28.6 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 1 2 0 1 0 1 0 1 0 1 0 1 0 0 1 0 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 2 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 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 7 A S 0 0 44 0, 0.0 178,-0.6 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 149.2 17.6 -10.7 -8.3 2 8 A K - 0 0 108 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.984 360.0 -93.5-143.3 146.9 16.6 -7.1 -8.6 3 9 A A - 0 0 0 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.390 26.4-138.0 -62.6 139.6 14.5 -5.0 -6.2 4 10 A R S S+ 0 0 139 2,-0.1 2,-0.3 3,-0.1 -1,-0.2 0.619 86.9 31.9 -73.3 -12.4 10.8 -5.0 -7.3 5 11 A V S S+ 0 0 52 1,-0.1 200,-0.2 2,-0.0 -2,-0.1 -0.959 119.0 12.4-143.5 161.5 10.7 -1.3 -6.5 6 12 A Y S > S+ 0 0 65 -2,-0.3 3,-1.0 1,-0.1 4,-0.3 0.700 76.2 141.9 45.7 26.1 13.0 1.8 -6.6 7 13 A A T 3 + 0 0 16 1,-0.2 4,-0.3 -4,-0.2 3,-0.2 0.812 67.8 42.4 -65.4 -31.9 15.4 -0.3 -8.6 8 14 A D T 3> S+ 0 0 88 1,-0.2 4,-1.7 2,-0.1 -1,-0.2 0.321 78.8 109.5 -99.5 10.9 16.5 2.5 -11.0 9 15 A V H <> S+ 0 0 14 -3,-1.0 4,-0.5 1,-0.2 3,-0.4 0.935 87.9 34.9 -49.4 -55.9 16.8 5.3 -8.4 10 16 A N H >4 S+ 0 0 1 166,-0.4 3,-0.6 -4,-0.3 -1,-0.2 0.851 112.1 59.6 -70.3 -36.1 20.6 5.5 -8.6 11 17 A V H 34 S+ 0 0 97 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.763 111.5 41.8 -65.7 -23.4 21.0 4.7 -12.3 12 18 A L H 3< S+ 0 0 130 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.503 103.0 84.5 -99.5 -7.8 18.9 7.7 -13.1 13 19 A R S << S- 0 0 85 -3,-0.6 5,-0.1 -4,-0.5 4,-0.0 -0.650 94.5 -86.6 -96.9 154.5 20.5 10.0 -10.6 14 20 A P >> - 0 0 74 0, 0.0 3,-2.9 0, 0.0 4,-0.6 -0.278 39.7-118.5 -55.9 138.6 23.8 12.0 -11.1 15 21 A K H >> S+ 0 0 127 1,-0.3 4,-3.2 2,-0.2 3,-0.5 0.794 111.7 67.8 -51.4 -32.2 26.8 9.9 -10.2 16 22 A E H 34 S+ 0 0 128 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.598 91.0 66.6 -67.0 -6.5 27.7 12.3 -7.4 17 23 A Y H <4 S+ 0 0 18 -3,-2.9 -1,-0.2 -7,-0.1 -2,-0.2 0.933 119.9 14.9 -76.3 -48.2 24.6 11.1 -5.6 18 24 A W H << S+ 0 0 64 -4,-0.6 2,-2.4 -3,-0.5 3,-0.2 0.627 99.3 96.3-102.2 -18.6 25.8 7.6 -5.1 19 25 A D >< + 0 0 48 -4,-3.2 3,-0.7 -5,-0.2 -1,-0.1 -0.505 45.6 164.4 -74.7 80.8 29.6 7.9 -5.7 20 26 A Y G > + 0 0 22 -2,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.769 65.2 66.9 -71.7 -27.5 30.4 8.3 -2.0 21 27 A E G 3 S+ 0 0 106 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.765 96.2 60.7 -63.5 -23.0 34.1 7.7 -2.4 22 28 A A G < S+ 0 0 65 -3,-0.7 2,-0.4 2,-0.1 -1,-0.3 -0.105 80.9 118.8 -94.7 32.9 34.1 10.9 -4.3 23 29 A L < - 0 0 21 -3,-1.3 2,-0.7 2,-0.0 50,-0.1 -0.851 50.6-157.4-101.9 136.7 32.9 12.9 -1.3 24 30 A T - 0 0 120 -2,-0.4 -2,-0.1 49,-0.0 -3,-0.0 -0.872 24.8-132.7-115.8 95.9 35.0 15.7 0.1 25 31 A V - 0 0 28 -2,-0.7 2,-0.9 1,-0.1 48,-0.0 -0.096 3.7-142.4 -49.4 137.0 33.9 16.1 3.7 26 32 A Q - 0 0 174 69,-0.0 68,-0.5 0, 0.0 -1,-0.1 -0.809 24.0-154.1-104.2 89.1 33.2 19.6 5.0 27 33 A W - 0 0 74 -2,-0.9 68,-0.3 66,-0.1 2,-0.1 -0.375 9.2-161.6 -66.9 139.6 34.6 19.4 8.5 28 34 A G - 0 0 22 66,-3.0 2,-0.7 -2,-0.1 68,-0.3 -0.020 40.8 -54.7-100.0-152.5 33.1 21.8 11.1 29 35 A E > - 0 0 114 1,-0.1 3,-0.7 66,-0.1 4,-0.4 -0.829 32.6-154.8 -98.3 113.2 34.3 22.9 14.4 30 36 A Q T 3 S+ 0 0 56 -2,-0.7 3,-0.2 66,-0.3 -1,-0.1 0.590 94.8 62.5 -56.1 -8.2 35.1 20.1 16.8 31 37 A D T 3 S+ 0 0 119 1,-0.2 22,-0.3 3,-0.1 -1,-0.2 0.891 78.1 73.5 -87.7 -46.9 34.4 22.8 19.4 32 38 A D S < S+ 0 0 37 -3,-0.7 21,-3.2 20,-0.1 22,-0.5 0.648 96.3 65.1 -45.3 -14.5 30.8 23.8 18.9 33 39 A Y E -A 52 0A 22 -4,-0.4 2,-0.5 19,-0.3 19,-0.2 -0.935 64.3-169.3-123.9 122.3 29.9 20.5 20.5 34 40 A E E -A 51 0A 112 17,-2.6 17,-2.2 -2,-0.5 2,-0.2 -0.904 24.3-124.9-112.5 127.9 30.5 19.4 24.1 35 41 A V E +A 50 0A 76 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.448 29.0 175.0 -64.4 131.8 30.1 15.9 25.4 36 42 A V E - 0 0 81 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.749 62.6 -16.7-108.7 -35.7 27.8 15.8 28.3 37 43 A R E -A 49 0A 129 12,-1.2 12,-2.7 0, 0.0 -1,-0.3 -0.854 65.6-105.9-172.2 132.5 27.4 12.1 29.1 38 44 A K E +A 48 0A 110 10,-0.3 10,-0.3 -2,-0.3 3,-0.1 -0.485 39.0 169.6 -64.3 124.6 28.0 8.8 27.4 39 45 A V E - 0 0 61 8,-2.1 2,-0.3 -2,-0.3 9,-0.2 0.248 58.8 -6.6-119.4 6.4 24.6 7.4 26.4 40 46 A G E -A 47 0A 28 7,-1.6 7,-3.0 9,-0.1 -1,-0.3 -0.971 51.2-159.2 176.3 171.6 25.6 4.6 24.1 41 47 A R E -A 46 0A 123 -2,-0.3 5,-0.2 5,-0.3 2,-0.2 -0.670 4.2-176.6-177.6 118.8 28.3 2.6 22.3 42 48 A G E > -A 45 0A 40 3,-1.8 3,-0.8 -2,-0.2 -2,-0.0 -0.434 49.1-100.3-101.7-178.9 28.7 0.2 19.4 43 49 A K T 3 S+ 0 0 153 1,-0.2 3,-0.1 -2,-0.2 -1,-0.0 0.519 124.8 51.2 -82.4 -1.5 31.9 -1.4 18.4 44 50 A Y T 3 S- 0 0 124 1,-0.3 21,-1.0 20,-0.0 2,-0.3 0.320 123.7 -1.3-112.4 5.0 32.2 1.2 15.7 45 51 A S E < -AB 42 64A 7 -3,-0.8 -3,-1.8 19,-0.3 2,-0.4 -0.937 58.0-122.5 177.7 159.7 31.6 4.2 17.9 46 52 A E E -AB 41 63A 53 17,-2.4 17,-2.3 -2,-0.3 2,-0.4 -0.919 31.4-148.9-113.0 141.1 30.9 5.7 21.3 47 53 A V E +AB 40 62A 29 -7,-3.0 -8,-2.1 -2,-0.4 -7,-1.6 -0.955 17.0 177.0-120.9 134.3 27.9 7.8 21.6 48 54 A F E -AB 38 61A 24 13,-2.6 13,-2.9 -2,-0.4 -10,-0.3 -0.976 33.1-119.4-133.4 145.6 27.3 10.8 24.0 49 55 A E E -AB 37 60A 14 -12,-2.7 -13,-2.8 -2,-0.3 -12,-1.2 -0.487 48.3-177.7 -71.3 153.4 24.6 13.3 24.6 50 56 A G E -AB 35 59A 0 9,-3.0 9,-2.1 -15,-0.3 2,-0.4 -0.932 26.4-123.7-149.7 173.7 26.1 16.6 23.9 51 57 A I E -AB 34 58A 41 -17,-2.2 -17,-2.6 -2,-0.3 2,-0.9 -0.927 21.2-128.0-122.6 146.3 25.4 20.3 23.9 52 58 A N E > -A 33 0A 15 5,-2.1 4,-2.7 -2,-0.4 -19,-0.3 -0.871 21.0-151.8 -91.9 107.9 25.8 22.7 21.0 53 59 A V T 4 S+ 0 0 62 -21,-3.2 -1,-0.2 -2,-0.9 -20,-0.1 0.833 89.4 53.1 -49.8 -36.0 28.0 25.3 22.7 54 60 A N T 4 S+ 0 0 96 -22,-0.5 -1,-0.2 1,-0.2 -21,-0.1 0.982 127.1 12.2 -65.8 -64.0 26.6 27.9 20.3 55 61 A N T 4 S- 0 0 72 2,-0.1 -2,-0.2 3,-0.0 -1,-0.2 0.425 92.1-127.2 -98.1 -2.1 22.8 27.6 20.7 56 62 A N < + 0 0 117 -4,-2.7 -3,-0.1 1,-0.2 2,-0.1 0.474 59.2 146.3 68.6 1.6 22.8 25.4 23.8 57 63 A E - 0 0 120 -5,-0.2 -5,-2.1 -6,-0.1 -1,-0.2 -0.427 54.7-108.8 -67.7 143.9 20.5 22.9 21.9 58 64 A K E +B 51 0A 102 -7,-0.2 51,-0.5 -3,-0.1 2,-0.3 -0.286 44.7 173.2 -69.3 161.1 21.1 19.3 22.9 59 65 A C E -B 50 0A 2 -9,-2.1 -9,-3.0 49,-0.2 2,-0.5 -0.951 32.2-112.7-159.2 169.6 22.7 17.1 20.3 60 66 A I E -BC 49 107A 26 47,-2.2 47,-3.2 -2,-0.3 2,-0.6 -0.975 23.4-157.7-118.4 124.1 24.1 13.6 19.9 61 67 A I E -BC 48 106A 4 -13,-2.9 -13,-2.6 -2,-0.5 2,-0.7 -0.907 4.5-167.5-104.9 118.3 27.8 13.3 19.4 62 68 A K E -BC 47 105A 12 43,-2.8 43,-2.7 -2,-0.6 2,-0.6 -0.906 5.6-161.4-109.2 104.2 28.9 10.0 17.7 63 69 A I E -BC 46 104A 47 -17,-2.3 -17,-2.4 -2,-0.7 2,-0.4 -0.792 16.0-138.1 -89.3 119.2 32.6 9.6 18.0 64 70 A L E -B 45 0A 8 39,-2.8 -19,-0.3 -2,-0.6 3,-0.2 -0.633 6.4-132.5 -83.4 128.3 33.8 7.0 15.5 65 71 A K - 0 0 65 -21,-1.0 -1,-0.0 -2,-0.4 -22,-0.0 -0.573 68.3 -50.1 -73.6 140.6 36.4 4.4 16.4 66 72 A P S S- 0 0 125 0, 0.0 2,-0.4 0, 0.0 -1,-0.2 0.287 76.1-177.4 -16.7 101.5 39.1 4.3 13.7 67 73 A V - 0 0 23 -3,-0.2 2,-0.4 2,-0.0 -3,-0.0 -0.889 33.7-105.7-115.4 141.8 37.2 4.0 10.5 68 74 A K >> - 0 0 178 -2,-0.4 3,-2.5 1,-0.2 4,-1.5 -0.523 32.8-124.4 -67.1 120.6 38.5 3.6 6.9 69 75 A K H 3> S+ 0 0 111 -2,-0.4 4,-1.6 1,-0.3 -1,-0.2 0.714 110.1 60.1 -36.5 -30.2 37.9 6.9 5.2 70 76 A K H 3> S+ 0 0 91 2,-0.2 4,-1.1 1,-0.2 -1,-0.3 0.873 104.8 46.2 -71.2 -37.7 36.0 5.1 2.5 71 77 A K H <> S+ 0 0 57 -3,-2.5 4,-2.5 2,-0.2 5,-0.2 0.859 109.8 53.9 -72.9 -37.2 33.4 3.8 5.0 72 78 A I H X S+ 0 0 12 -4,-1.5 4,-2.9 1,-0.2 5,-0.2 0.903 106.1 52.8 -64.0 -40.6 32.9 7.1 6.7 73 79 A K H X S+ 0 0 41 -4,-1.6 4,-2.7 -5,-0.3 5,-0.2 0.846 108.8 52.3 -62.9 -32.3 32.2 8.7 3.3 74 80 A R H X S+ 0 0 29 -4,-1.1 4,-2.8 2,-0.2 5,-0.3 0.991 112.5 41.3 -66.1 -59.2 29.6 6.1 2.8 75 81 A E H X S+ 0 0 13 -4,-2.5 4,-2.5 1,-0.2 -2,-0.2 0.893 119.4 47.6 -55.1 -42.9 27.8 6.7 6.1 76 82 A I H X S+ 0 0 0 -4,-2.9 4,-2.6 2,-0.2 -1,-0.2 0.926 111.7 47.0 -65.5 -49.1 28.2 10.4 5.6 77 83 A K H X S+ 0 0 36 -4,-2.7 4,-2.1 -5,-0.2 -2,-0.2 0.900 114.5 48.8 -61.8 -40.0 27.0 10.6 2.0 78 84 A I H X S+ 0 0 0 -4,-2.8 4,-2.0 -5,-0.2 -2,-0.2 0.934 110.3 50.2 -66.2 -44.2 24.0 8.4 2.9 79 85 A L H X S+ 0 0 0 -4,-2.5 4,-0.8 -5,-0.3 12,-0.3 0.902 111.6 50.6 -59.8 -38.9 23.2 10.5 5.9 80 86 A Q H < S+ 0 0 76 -4,-2.6 -1,-0.2 1,-0.2 3,-0.2 0.857 109.0 49.0 -68.7 -36.3 23.3 13.6 3.6 81 87 A N H < S+ 0 0 27 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.865 117.9 40.8 -71.6 -33.9 21.1 12.2 0.9 82 88 A L H >< S+ 0 0 0 -4,-2.0 3,-1.7 -5,-0.2 2,-0.6 0.478 82.4 121.6 -93.2 -3.4 18.4 11.2 3.5 83 89 A C T 3< S+ 0 0 54 -4,-0.8 7,-0.1 1,-0.3 6,-0.1 -0.485 80.5 23.1 -67.5 110.7 18.7 14.3 5.7 84 90 A G T 3 S+ 0 0 59 -2,-0.6 -1,-0.3 1,-0.5 3,-0.1 -0.080 94.5 121.7 123.4 -29.0 15.2 15.8 5.7 85 91 A G S X S- 0 0 4 -3,-1.7 3,-1.7 1,-0.2 -1,-0.5 -0.199 78.9 -68.5 -63.0 157.2 13.4 12.6 4.9 86 92 A P T 3 S- 0 0 58 0, 0.0 -1,-0.2 0, 0.0 54,-0.2 -0.176 110.1 -16.3 -51.3 129.5 10.7 11.2 7.3 87 93 A N T 3 S+ 0 0 23 1,-0.2 80,-2.6 -3,-0.1 2,-0.5 0.713 93.0 142.6 44.7 32.6 12.1 9.9 10.5 88 94 A I B < -e 167 0B 0 -3,-1.7 -4,-0.3 78,-0.2 -1,-0.2 -0.880 63.8-102.9 -99.3 132.0 15.6 9.8 9.3 89 95 A V - 0 0 7 78,-1.9 2,-0.5 -2,-0.5 -4,-0.1 -0.319 40.0-124.2 -53.9 123.8 18.1 10.8 11.9 90 96 A K - 0 0 69 -7,-0.1 18,-2.1 -6,-0.1 2,-0.7 -0.629 14.7-147.8 -78.6 123.8 19.2 14.3 11.1 91 97 A L E +D 107 0A 18 -2,-0.5 16,-0.3 -12,-0.3 3,-0.1 -0.822 18.8 178.1 -90.0 115.0 23.0 14.8 10.6 92 98 A L E - 0 0 84 14,-2.3 2,-0.3 -2,-0.7 15,-0.2 0.696 58.1 -13.7 -92.5 -20.4 23.8 18.3 11.8 93 99 A D E -D 106 0A 34 13,-1.6 13,-3.7 -65,-0.1 2,-0.4 -0.939 48.2-137.4-178.2 150.4 27.6 18.4 11.4 94 100 A I E +D 105 0A 14 -68,-0.5 -66,-3.0 -2,-0.3 2,-0.3 -0.980 33.7 165.9-119.0 131.7 30.7 16.4 10.8 95 101 A V E -D 104 0A 0 9,-2.4 9,-2.5 -2,-0.4 2,-0.3 -0.861 18.9-147.9-138.6 174.6 33.8 17.3 12.9 96 102 A R E -D 103 0A 102 -68,-0.3 2,-0.5 -2,-0.3 -66,-0.3 -1.000 29.1-102.9-151.2 144.7 37.2 15.9 13.8 97 103 A D > - 0 0 52 5,-2.4 4,-2.2 -2,-0.3 3,-0.4 -0.543 32.1-146.5 -66.9 115.7 39.7 15.9 16.6 98 104 A Q T 4 S+ 0 0 179 -2,-0.5 3,-0.3 1,-0.2 -1,-0.2 0.928 94.1 49.3 -47.5 -55.6 42.4 18.3 15.4 99 105 A H T 4 S+ 0 0 171 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.805 129.9 12.6 -57.3 -36.7 45.2 16.4 17.1 100 106 A S T 4 S- 0 0 57 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.237 91.0-115.3-133.2 13.6 44.3 12.9 15.8 101 107 A K < + 0 0 127 -4,-2.2 -3,-0.1 -3,-0.3 -2,-0.1 0.441 54.4 160.3 69.9 -5.8 41.8 12.9 13.0 102 108 A T - 0 0 42 -5,-0.2 -5,-2.4 -6,-0.1 -1,-0.2 -0.346 34.3-135.2 -57.9 117.5 39.2 11.1 15.1 103 109 A P E - D 0 96A 5 0, 0.0 -39,-2.8 0, 0.0 2,-0.4 -0.421 21.4-172.7 -76.8 142.9 35.7 11.8 13.4 104 110 A S E -CD 63 95A 2 -9,-2.5 -9,-2.4 -41,-0.2 2,-0.5 -0.994 11.9-150.5-135.5 128.0 32.6 12.7 15.3 105 111 A L E -CD 62 94A 0 -43,-2.7 -43,-2.8 -2,-0.4 2,-0.6 -0.867 11.6-147.5 -99.7 130.7 29.2 13.0 13.6 106 112 A I E +CD 61 93A 0 -13,-3.7 -14,-2.3 -2,-0.5 -13,-1.6 -0.881 23.3 178.4-100.8 123.8 26.9 15.4 15.2 107 113 A F E -CD 60 91A 11 -47,-3.2 -47,-2.2 -2,-0.6 -16,-0.2 -0.707 36.8 -83.2-119.6 171.4 23.2 14.5 15.1 108 114 A E - 0 0 19 -18,-2.1 2,-0.3 -2,-0.2 -49,-0.2 -0.345 55.3-106.7 -65.6 154.1 19.8 15.9 16.2 109 115 A Y - 0 0 45 -51,-0.5 2,-0.4 -50,-0.1 -1,-0.1 -0.681 32.9-171.2 -90.0 142.1 19.1 15.0 19.8 110 116 A V - 0 0 11 -2,-0.3 2,-2.9 -51,-0.1 48,-0.1 -0.982 24.4-138.8-131.9 117.2 16.5 12.4 20.6 111 117 A N - 0 0 84 -2,-0.4 50,-0.2 46,-0.1 49,-0.2 -0.485 43.3-171.3 -75.2 76.3 15.4 11.9 24.2 112 118 A N - 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0 0 86 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.672 49.6-146.5-146.5 84.8 10.4 -12.3 22.6 224 230 A E S S+ 0 0 82 -2,-0.2 2,-0.2 -6,-0.1 -9,-0.0 -0.882 88.7 23.1-106.6 120.0 13.6 -10.3 22.0 225 231 A P S S- 0 0 34 0, 0.0 3,-0.4 0, 0.0 -10,-0.1 0.641 80.3-162.9 -76.4 163.0 15.4 -11.4 19.9 226 232 A F S S+ 0 0 7 1,-0.3 2,-0.7 -36,-0.2 -2,-0.1 0.896 90.7 35.5 -77.6 -41.3 12.7 -13.3 18.1 227 233 A F S S- 0 0 2 -37,-0.4 2,-1.4 2,-0.1 -1,-0.3 -0.806 80.1-173.4-112.2 85.4 15.3 -15.4 16.3 228 234 A Y + 0 0 108 -2,-0.7 2,-0.5 -3,-0.4 3,-0.1 -0.633 12.4 168.6 -84.9 87.5 18.0 -15.9 18.9 229 235 A G - 0 0 0 -2,-1.4 6,-0.2 1,-0.1 -2,-0.1 -0.886 32.2-149.1-103.8 125.5 20.8 -17.6 17.0 230 236 A H S S+ 0 0 123 -2,-0.5 2,-0.3 1,-0.1 -1,-0.1 0.853 83.4 10.4 -58.9 -36.4 24.2 -17.8 18.7 231 237 A D S >> S- 0 0 74 -3,-0.1 4,-2.1 1,-0.1 3,-0.6 -0.983 88.8 -94.2-144.1 156.5 25.9 -17.7 15.3 232 238 A N H 3> S+ 0 0 60 -2,-0.3 4,-1.2 1,-0.3 5,-0.1 0.784 125.9 47.6 -34.3 -46.1 25.1 -17.0 11.7 233 239 A H H >> S+ 0 0 63 1,-0.2 4,-0.9 2,-0.2 3,-0.8 0.955 113.4 46.4 -64.5 -49.7 24.6 -20.8 11.0 234 240 A D H <> S+ 0 0 30 -3,-0.6 4,-2.0 1,-0.3 -2,-0.2 0.711 105.0 64.8 -64.8 -19.7 22.4 -21.2 14.2 235 241 A Q H 3X S+ 0 0 0 -4,-2.1 4,-1.2 1,-0.2 -1,-0.3 0.868 101.0 47.9 -70.9 -36.9 20.6 -18.1 13.0 236 242 A L H X>S+ 0 0 0 -4,-1.2 3,-3.4 2,-0.2 4,-2.9 0.979 109.2 48.8 -71.8 -58.9 14.4 -19.4 11.4 240 246 A A H 3X5S+ 0 0 0 -4,-2.1 4,-1.7 1,-0.3 -2,-0.2 0.831 105.6 61.2 -50.5 -35.3 13.9 -22.8 9.7 241 247 A K H 3<5S+ 0 0 79 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.583 117.6 30.3 -69.3 -8.8 12.5 -24.0 13.0 242 248 A V H <45S+ 0 0 11 -3,-3.4 31,-3.7 2,-0.1 -2,-0.2 0.753 127.5 35.5-113.6 -52.3 9.8 -21.3 12.7 243 249 A L H <5S- 0 0 9 -4,-2.9 4,-0.3 29,-0.2 29,-0.3 0.623 110.0-119.2 -80.3 -12.9 9.2 -20.8 8.9 244 250 A G X< - 0 0 2 -4,-1.7 4,-1.0 -5,-0.5 27,-0.2 0.185 13.6-104.8 85.7 148.6 9.7 -24.5 8.2 245 251 A T H > S+ 0 0 1 25,-2.8 4,-3.3 2,-0.2 26,-0.1 0.701 111.2 66.3 -83.6 -24.3 12.4 -25.9 5.9 246 252 A D H > S+ 0 0 104 24,-0.6 4,-2.3 2,-0.2 -1,-0.2 0.895 103.3 50.0 -64.5 -36.0 10.3 -26.8 2.9 247 253 A G H > S+ 0 0 33 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.958 110.5 50.0 -63.3 -47.5 9.7 -23.0 2.5 248 254 A L H X S+ 0 0 3 -4,-1.0 4,-3.1 1,-0.2 -2,-0.2 0.921 107.2 54.9 -53.8 -49.1 13.5 -22.7 2.7 249 255 A N H X S+ 0 0 65 -4,-3.3 4,-2.6 1,-0.2 -1,-0.2 0.920 107.3 48.5 -50.2 -52.9 13.9 -25.4 0.1 250 256 A V H X S+ 0 0 97 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.902 112.5 50.3 -55.5 -44.2 11.7 -23.5 -2.4 251 257 A Y H X S+ 0 0 3 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.971 111.0 47.9 -57.6 -56.8 13.7 -20.3 -1.7 252 258 A L H <>S+ 0 0 15 -4,-3.1 5,-2.8 1,-0.2 -2,-0.2 0.857 115.0 45.9 -53.5 -40.8 17.0 -22.1 -2.2 253 259 A N H ><5S+ 0 0 114 -4,-2.6 3,-1.8 -5,-0.2 -1,-0.2 0.916 106.7 56.4 -72.7 -43.3 15.9 -23.6 -5.5 254 260 A K H 3<5S+ 0 0 99 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.870 117.2 36.2 -55.8 -39.2 14.3 -20.5 -6.9 255 261 A Y T 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.130 107.9-123.5-101.7 18.6 17.6 -18.7 -6.5 256 262 A R T < 5 + 0 0 218 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.840 58.5 153.0 42.3 44.9 19.8 -21.7 -7.4 257 263 A I < - 0 0 23 -5,-2.8 -1,-0.2 -6,-0.2 2,-0.1 -0.907 31.8-153.0-111.0 129.1 21.6 -21.4 -4.1 258 264 A E - 0 0 133 -2,-0.5 2,-0.4 -3,-0.1 -5,-0.0 -0.401 11.1-132.0 -88.0 170.1 23.2 -24.3 -2.4 259 265 A L - 0 0 16 -2,-0.1 -61,-0.1 3,-0.0 -60,-0.0 -0.931 30.4 -99.6-123.7 147.6 23.8 -24.6 1.3 260 266 A D >> - 0 0 83 -2,-0.4 4,-3.0 1,-0.1 3,-0.7 -0.563 33.5-123.0 -72.3 122.3 27.0 -25.7 2.9 261 267 A P H 3> S+ 0 0 95 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.730 109.0 55.3 -29.0 -45.7 26.8 -29.5 3.9 262 268 A Q H 3> S+ 0 0 138 2,-0.2 4,-0.9 1,-0.2 3,-0.3 0.977 115.7 33.2 -59.1 -61.9 27.6 -28.6 7.5 263 269 A L H X> S+ 0 0 5 -3,-0.7 4,-2.6 1,-0.2 3,-0.9 0.899 112.2 67.3 -62.2 -40.0 24.8 -26.1 8.1 264 270 A E H 3< S+ 0 0 108 -4,-3.0 4,-0.5 1,-0.3 -1,-0.2 0.883 106.1 38.4 -46.2 -49.8 22.6 -28.1 5.7 265 271 A A H 3< S+ 0 0 83 -4,-1.9 -1,-0.3 -3,-0.3 -2,-0.2 0.653 113.3 59.3 -78.6 -15.2 22.4 -31.0 8.1 266 272 A L H << S+ 0 0 88 -3,-0.9 -2,-0.2 -4,-0.9 -1,-0.2 0.814 105.4 46.5 -81.1 -33.5 22.2 -28.5 11.0 267 273 A V S < S+ 0 0 4 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.601 89.8 166.7 -82.7 -11.6 19.1 -26.9 9.6 268 274 A G - 0 0 40 -4,-0.5 2,-0.4 -5,-0.3 -1,-0.2 0.057 49.2 -44.3 35.7-130.4 17.7 -30.4 9.1 269 275 A R + 0 0 190 -4,-0.1 2,-0.3 -3,-0.1 -1,-0.1 -0.968 61.8 169.4-138.4 120.2 14.0 -30.6 8.4 270 276 A H - 0 0 70 -2,-0.4 -25,-2.8 -3,-0.1 -24,-0.6 -0.975 29.0-124.9-133.1 144.7 11.3 -28.6 10.3 271 277 A S - 0 0 103 -2,-0.3 -27,-0.4 -27,-0.2 -2,-0.0 -0.542 44.4 -89.0 -84.4 152.9 7.6 -28.0 9.7 272 278 A R - 0 0 136 -29,-0.3 -29,-0.2 -2,-0.2 -1,-0.1 -0.332 39.8-136.0 -62.1 138.5 6.3 -24.4 9.6 273 279 A K - 0 0 61 -31,-3.7 -1,-0.1 -3,-0.1 5,-0.1 -0.884 19.5-119.4-102.7 115.3 5.3 -23.1 13.0 274 280 A P > - 0 0 67 0, 0.0 3,-1.7 0, 0.0 4,-0.1 -0.215 18.3-130.0 -50.1 137.0 2.0 -21.3 13.1 275 281 A W G > S+ 0 0 7 1,-0.3 3,-2.0 2,-0.2 4,-0.1 0.861 107.1 64.3 -60.3 -34.6 2.6 -17.7 14.2 276 282 A L G > S+ 0 0 106 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.653 85.4 73.8 -64.6 -13.6 -0.1 -18.1 16.8 277 283 A K G < S+ 0 0 126 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.510 89.6 59.9 -77.1 -3.5 2.0 -20.8 18.5 278 284 A F G < S+ 0 0 25 -3,-2.0 -1,-0.3 -4,-0.1 2,-0.2 0.371 85.3 109.5-100.4 -0.3 4.2 -17.9 19.7 279 285 A M < + 0 0 77 -3,-1.3 2,-0.3 -4,-0.1 -58,-0.1 -0.537 38.4 157.1 -82.1 145.1 1.2 -16.5 21.6 280 286 A N >> - 0 0 76 -2,-0.2 3,-2.4 1,-0.0 4,-2.0 -0.969 58.9 -84.8-159.2 158.7 0.9 -16.5 25.4 281 287 A A T 34 S+ 0 0 86 -2,-0.3 4,-0.3 1,-0.3 -2,-0.0 0.742 124.0 59.1 -38.1 -33.9 -0.9 -14.6 28.1 282 288 A D T 34 S+ 0 0 94 1,-0.2 -1,-0.3 2,-0.1 -60,-0.1 0.816 121.7 20.1 -70.9 -31.9 1.9 -12.0 28.1 283 289 A N T X> S+ 0 0 0 -3,-2.4 3,-2.5 -62,-0.1 4,-1.4 0.398 89.8 106.7-118.7 -1.3 1.5 -11.0 24.4 284 290 A Q T 3< S+ 0 0 113 -4,-2.0 3,-0.2 1,-0.3 -3,-0.1 0.835 80.8 53.6 -46.2 -42.2 -2.0 -12.1 23.6 285 291 A H T 34 S+ 0 0 108 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.1 0.540 110.2 46.9 -74.5 -7.9 -3.2 -8.6 23.6 286 292 A L T <4 S+ 0 0 0 -3,-2.5 2,-0.3 -66,-0.3 -1,-0.2 0.588 98.7 80.2-105.8 -19.5 -0.6 -7.5 21.1 287 293 A V < + 0 0 14 -4,-1.4 3,-0.1 -3,-0.2 -163,-0.0 -0.665 57.0 153.7 -88.0 145.4 -1.2 -10.4 18.7 288 294 A S > - 0 0 24 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.962 58.9 -94.1-162.5 164.3 -4.2 -10.2 16.4 289 295 A P H > S+ 0 0 115 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.912 126.8 44.3 -54.2 -42.2 -5.2 -11.5 13.0 290 296 A E H > S+ 0 0 65 2,-0.2 4,-3.4 1,-0.2 5,-0.2 0.892 111.5 51.9 -70.5 -40.7 -3.9 -8.4 11.3 291 297 A A H > S+ 0 0 0 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.942 114.3 44.7 -59.9 -46.0 -0.6 -8.3 13.3 292 298 A I H X S+ 0 0 24 -4,-3.0 4,-3.1 2,-0.2 -2,-0.2 0.927 114.2 48.9 -63.0 -45.2 -0.1 -11.9 12.3 293 299 A D H X S+ 0 0 55 -4,-2.6 4,-1.3 -5,-0.3 -2,-0.2 0.901 113.4 46.5 -63.3 -42.3 -1.0 -11.2 8.7 294 300 A F H >< S+ 0 0 0 -4,-3.4 3,-0.6 2,-0.2 4,-0.3 0.971 115.0 46.5 -62.9 -52.0 1.3 -8.3 8.5 295 301 A L H >X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.2 3,-1.9 0.897 108.0 56.6 -56.4 -43.6 4.1 -10.2 10.2 296 302 A D H 3< S+ 0 0 27 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.840 105.8 51.2 -59.1 -33.4 3.6 -13.2 7.9 297 303 A K T << S+ 0 0 56 -4,-1.3 10,-2.4 -3,-0.6 -1,-0.3 0.458 113.0 47.3 -82.1 -4.3 4.0 -10.9 4.9 298 304 A L T <4 S+ 0 0 0 -3,-1.9 2,-2.2 -4,-0.3 -2,-0.2 0.832 102.1 60.5 -97.8 -57.7 7.3 -9.6 6.4 299 305 A L S < S+ 0 0 2 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.450 70.9 139.8 -77.0 78.2 9.0 -12.9 7.4 300 306 A R - 0 0 68 -2,-2.2 6,-0.2 -3,-0.2 -90,-0.1 -0.978 52.9-141.4-120.6 130.4 9.3 -14.6 4.0 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.7 -107,-0.1 -106,-0.3 0.947 92.6 74.3 -52.2 -49.1 12.4 -16.5 3.0 302 308 A D S >> S- 0 0 10 1,-0.2 4,-1.2 -3,-0.1 3,-1.2 -0.545 72.1-158.6 -70.4 110.3 11.9 -15.1 -0.5 303 309 A H T 34 S+ 0 0 2 -2,-0.7 -1,-0.2 1,-0.3 -94,-0.1 0.793 93.7 61.0 -60.8 -24.5 13.0 -11.4 -0.3 304 310 A Q T 34 S+ 0 0 55 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.809 101.4 51.2 -73.2 -27.0 10.9 -11.0 -3.4 305 311 A E T <4 S+ 0 0 100 -3,-1.2 -1,-0.2 2,-0.1 -2,-0.2 0.752 87.7 105.8 -80.8 -24.2 7.7 -12.1 -1.6 306 312 A R S < S- 0 0 3 -4,-1.2 -8,-0.2 -6,-0.2 -9,-0.1 -0.227 82.9-100.1 -59.2 143.0 8.2 -9.7 1.3 307 313 A L - 0 0 21 -10,-2.4 2,-0.2 -13,-0.2 -1,-0.1 -0.317 36.6-124.4 -58.5 141.2 6.0 -6.6 1.5 308 314 A T > - 0 0 25 1,-0.1 4,-2.2 -3,-0.1 3,-0.2 -0.501 29.5-104.9 -81.7 161.9 7.8 -3.5 0.3 309 315 A A H > S+ 0 0 1 1,-0.2 4,-1.9 2,-0.2 -170,-0.1 0.928 122.8 51.8 -54.0 -47.2 7.9 -0.7 2.8 310 316 A L H > S+ 0 0 95 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.855 111.0 48.0 -59.8 -37.0 5.2 1.2 0.9 311 317 A E H >4 S+ 0 0 81 -3,-0.2 3,-0.6 1,-0.2 -1,-0.2 0.827 106.8 56.5 -72.3 -33.8 2.9 -1.9 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.2 3,-1.6 1,-0.2 6,-0.3 0.901 100.5 58.1 -66.4 -38.5 3.4 -2.5 4.6 313 319 A M H 3< S+ 0 0 25 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.754 106.9 48.5 -63.6 -23.0 2.2 1.0 5.4 314 320 A T T << S+ 0 0 90 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.349 80.5 120.0 -98.6 4.2 -1.2 0.2 3.7 315 321 A H S X S- 0 0 11 -3,-1.6 3,-2.5 -4,-0.2 4,-0.4 -0.500 77.9-117.7 -67.4 135.0 -1.7 -3.1 5.4 316 322 A P G > S+ 0 0 58 0, 0.0 3,-2.2 0, 0.0 4,-0.4 0.765 109.4 77.5 -45.7 -26.2 -5.0 -2.9 7.3 317 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.4 -27,-0.2 4,-0.2 0.881 98.7 43.3 -50.9 -39.6 -3.0 -3.5 10.5 318 324 A F G <> S+ 0 0 0 -3,-2.5 4,-2.6 -6,-0.3 5,-0.3 0.413 83.3 108.3 -86.7 -0.1 -2.0 0.2 10.3 319 325 A Q H <> S+ 0 0 116 -3,-2.2 4,-2.3 -4,-0.4 -1,-0.2 0.872 78.2 48.1 -46.9 -49.7 -5.5 1.4 9.4 320 326 A Q H > S+ 0 0 112 -4,-0.4 4,-1.6 -3,-0.4 -1,-0.2 0.925 112.9 49.0 -61.2 -42.5 -6.1 3.0 12.8 321 327 A V H > S+ 0 0 3 -3,-0.3 4,-0.7 -4,-0.2 -1,-0.2 0.883 111.3 48.6 -65.3 -39.3 -2.8 4.8 12.7 322 328 A R H >< S+ 0 0 75 -4,-2.6 3,-0.6 1,-0.2 -1,-0.2 0.875 107.9 56.9 -65.7 -36.3 -3.3 6.1 9.1 323 329 A A H 3< S+ 0 0 82 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.861 100.8 55.2 -63.6 -36.0 -6.8 7.2 10.3 324 330 A A H 3< 0 0 79 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.757 360.0 360.0 -67.6 -21.4 -5.2 9.4 13.0 325 331 A E << 0 0 134 -4,-0.7 -1,-0.2 -3,-0.6 -4,-0.0 -0.574 360.0 360.0 -90.0 360.0 -3.2 10.9 10.1