==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 03-DEC-09 3KXG . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR E.PAPINUTTO,C.FRANCHIN,R.BATTISTUTTA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15735.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 66.4 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 . 24 7.3 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 . 98 30.0 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 1 1 0 1 1 1 0 1 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 7 A S 0 0 47 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 141.1 17.9 -11.1 -8.7 2 8 A K - 0 0 127 176,-0.1 202,-0.1 177,-0.1 2,-0.1 -0.986 360.0 -94.3-138.7 154.3 16.7 -7.5 -8.8 3 9 A A - 0 0 3 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.392 25.4-140.5 -57.9 140.5 14.5 -5.3 -6.5 4 10 A R S S+ 0 0 152 2,-0.1 2,-0.3 -2,-0.1 -1,-0.1 0.585 85.5 31.4 -80.3 -11.9 10.9 -5.2 -7.5 5 11 A V S S+ 0 0 58 1,-0.1 200,-0.2 2,-0.0 -2,-0.0 -0.976 119.9 14.1-140.9 155.9 10.7 -1.5 -6.7 6 12 A Y S > S+ 0 0 64 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 0.684 75.2 140.8 58.2 23.5 13.1 1.5 -6.8 7 13 A A T 3 S+ 0 0 19 1,-0.2 4,-0.2 -4,-0.2 3,-0.2 0.830 70.2 43.2 -62.7 -32.8 15.5 -0.6 -8.9 8 14 A D T 3> S+ 0 0 85 1,-0.2 4,-2.3 2,-0.1 -1,-0.2 0.261 78.5 108.4-101.6 8.9 16.4 2.4 -11.1 9 15 A V H <> S+ 0 0 13 -3,-1.1 4,-1.1 1,-0.2 3,-0.2 0.953 89.0 35.3 -56.8 -56.4 16.8 5.2 -8.4 10 16 A N H 4 S+ 0 0 3 166,-0.5 -1,-0.2 -4,-0.3 8,-0.2 0.775 112.8 62.3 -68.0 -24.7 20.6 5.4 -8.7 11 17 A V H 4 S+ 0 0 96 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.898 110.1 39.0 -64.9 -42.4 20.5 4.7 -12.5 12 18 A L H < S+ 0 0 131 -4,-2.3 -1,-0.2 -3,-0.2 -2,-0.2 0.709 103.2 83.5 -81.0 -19.7 18.5 7.9 -13.1 13 19 A R S < S- 0 0 75 -4,-1.1 5,-0.1 -5,-0.2 2,-0.0 -0.417 92.8 -90.0 -87.9 156.7 20.3 10.1 -10.6 14 20 A P >> - 0 0 73 0, 0.0 3,-1.8 0, 0.0 4,-0.7 -0.354 38.1-113.0 -64.3 152.1 23.5 11.9 -11.4 15 21 A K H 3> S+ 0 0 128 1,-0.3 4,-2.8 2,-0.2 3,-0.4 0.795 113.1 68.4 -55.7 -30.0 26.6 10.0 -10.5 16 22 A E H 34 S+ 0 0 142 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.820 91.3 61.6 -60.4 -34.1 27.5 12.5 -7.8 17 23 A Y H <4 S+ 0 0 24 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.916 122.0 18.0 -56.6 -49.6 24.5 11.3 -5.7 18 24 A W H < S+ 0 0 73 -4,-0.7 2,-2.2 -3,-0.4 -2,-0.2 0.581 99.4 92.0-104.4 -17.1 25.7 7.7 -5.3 19 25 A D >< + 0 0 41 -4,-2.8 3,-1.5 -5,-0.2 -1,-0.1 -0.514 51.0 168.2 -79.7 76.7 29.5 8.0 -6.2 20 26 A Y G > + 0 0 21 -2,-2.2 3,-1.3 1,-0.3 -1,-0.2 0.672 63.3 68.8 -68.7 -23.1 30.3 8.5 -2.5 21 27 A E G 3 S+ 0 0 104 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.667 92.5 61.2 -68.9 -18.9 34.1 8.1 -3.0 22 28 A A G < S+ 0 0 67 -3,-1.5 -1,-0.2 -6,-0.1 -2,-0.2 0.420 81.1 115.2 -84.8 -2.4 34.1 11.4 -4.9 23 29 A L < - 0 0 20 -3,-1.3 2,-0.5 -4,-0.1 50,-0.1 -0.407 53.4-157.4 -64.7 138.1 32.8 13.2 -1.7 24 30 A T - 0 0 97 -2,-0.1 -2,-0.1 49,-0.0 -3,-0.0 -0.974 23.0-128.3-120.3 112.8 35.1 15.7 -0.2 25 31 A V - 0 0 17 -2,-0.5 2,-0.7 1,-0.1 48,-0.0 -0.308 8.5-145.3 -63.0 141.7 34.2 16.2 3.5 26 32 A Q - 0 0 152 69,-0.0 68,-0.3 -2,-0.0 2,-0.1 -0.819 22.9-145.8-108.6 87.9 33.6 19.7 4.7 27 33 A W - 0 0 73 -2,-0.7 68,-0.2 66,-0.1 3,-0.0 -0.305 10.0-153.4 -66.8 132.9 34.9 19.6 8.3 28 34 A G - 0 0 23 66,-3.9 2,-0.7 -2,-0.1 68,-0.3 0.132 38.2 -70.2 -82.1-160.6 33.2 21.8 10.9 29 35 A E > - 0 0 125 1,-0.2 3,-2.4 66,-0.1 4,-0.3 -0.885 32.4-155.7-105.6 108.4 34.6 23.2 14.1 30 36 A Q G > S+ 0 0 71 -2,-0.7 3,-1.7 66,-0.4 -1,-0.2 0.848 91.6 62.0 -45.1 -44.8 35.4 20.5 16.8 31 37 A D G 3 S+ 0 0 127 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.603 84.8 74.9 -65.2 -12.1 35.1 23.2 19.6 32 38 A D G < S+ 0 0 40 -3,-2.4 21,-3.7 1,-0.1 22,-0.5 0.707 95.0 57.6 -67.4 -19.1 31.5 24.0 18.8 33 39 A Y E < -A 52 0A 37 -3,-1.7 2,-0.4 -4,-0.3 19,-0.2 -0.949 65.6-167.9-125.2 120.8 30.4 20.6 20.5 34 40 A E E -A 51 0A 116 17,-2.9 17,-2.1 -2,-0.5 2,-0.3 -0.907 25.1-119.4-111.9 138.7 31.1 19.5 24.0 35 41 A V E +A 50 0A 75 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.527 30.1 174.1 -69.7 129.4 30.6 16.0 25.4 36 42 A V E - 0 0 80 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.815 63.4 -20.9-101.8 -48.6 28.1 15.9 28.3 37 43 A R E -A 49 0A 111 12,-1.9 12,-2.9 0, 0.0 -1,-0.3 -0.966 62.6-104.4-162.0 147.6 27.8 12.2 28.9 38 44 A K E +A 48 0A 110 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.523 34.9 169.6 -70.7 136.4 28.4 8.8 27.3 39 45 A V E - 0 0 70 8,-3.0 2,-0.3 1,-0.4 9,-0.2 0.462 58.6 -1.7-125.6 -10.7 25.1 7.1 26.2 40 46 A G E -A 47 0A 29 7,-1.8 7,-3.1 2,-0.0 -1,-0.4 -0.989 48.3-163.9-172.1 165.8 26.3 4.2 24.1 41 47 A R E +A 46 0A 186 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.966 12.6 163.4-151.0 163.1 29.0 2.2 22.5 42 48 A G - 0 0 29 3,-1.9 3,-0.1 -2,-0.3 -2,-0.0 -0.917 56.8 -71.4-163.6-176.6 29.5 -0.4 19.8 43 49 A K S S+ 0 0 160 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.774 128.7 29.0 -52.9 -34.2 32.1 -2.0 17.6 44 50 A Y S S+ 0 0 122 1,-0.2 21,-2.6 20,-0.0 2,-0.3 0.569 121.8 15.1-112.6 -14.6 32.6 1.1 15.5 45 51 A S E - B 0 64A 9 19,-0.2 -3,-1.9 -3,-0.1 2,-0.4 -0.981 51.7-131.7-156.7 161.4 31.8 4.1 17.7 46 52 A E E -AB 41 63A 67 17,-2.2 17,-3.0 -2,-0.3 2,-0.4 -0.947 29.6-151.8-114.2 143.7 31.2 5.7 21.1 47 53 A V E +AB 40 62A 31 -7,-3.1 -8,-3.0 -2,-0.4 -7,-1.8 -0.960 15.3 177.6-125.7 136.5 28.1 7.9 21.5 48 54 A F E -AB 38 61A 25 13,-2.3 13,-2.6 -2,-0.4 2,-0.3 -0.971 32.9-121.6-134.5 145.9 27.6 10.8 23.8 49 55 A E E +AB 37 60A 13 -12,-2.9 -13,-2.8 -2,-0.3 -12,-1.9 -0.708 50.4 168.9 -74.4 141.1 24.9 13.3 24.6 50 56 A G E -AB 35 59A 1 9,-2.9 9,-1.7 -2,-0.3 2,-0.4 -0.771 29.9-115.2-138.7-170.5 26.6 16.7 24.0 51 57 A I E -AB 34 58A 45 -17,-2.1 -17,-2.9 7,-0.2 2,-0.7 -0.990 14.5-133.7-133.0 138.5 26.0 20.4 23.6 52 58 A N E > -A 33 0A 28 5,-2.7 4,-2.0 -2,-0.4 5,-0.4 -0.850 23.0-156.0 -77.8 112.6 26.4 22.9 20.8 53 59 A V T 4 S+ 0 0 52 -21,-3.7 -1,-0.1 -2,-0.7 -20,-0.1 0.752 85.8 62.0 -71.8 -20.6 28.2 25.7 22.8 54 60 A N T 4 S+ 0 0 108 -22,-0.5 -1,-0.2 1,-0.1 -21,-0.1 0.925 126.0 10.3 -63.2 -52.4 27.1 28.4 20.3 55 61 A N T 4 S- 0 0 85 2,-0.1 -2,-0.2 -3,-0.1 -1,-0.1 0.354 94.5-123.7-115.1 1.8 23.3 27.9 20.9 56 62 A N < + 0 0 116 -4,-2.0 2,-0.3 1,-0.2 -3,-0.1 0.644 60.5 146.7 61.5 19.7 23.3 25.6 24.0 57 63 A E - 0 0 123 -5,-0.4 -5,-2.7 1,-0.1 -1,-0.2 -0.653 50.6-113.0 -84.0 139.0 21.2 23.1 22.1 58 64 A K E +B 51 0A 113 -2,-0.3 51,-0.6 -7,-0.2 2,-0.3 -0.284 41.2 168.9 -63.1 151.1 21.6 19.3 22.9 59 65 A C E -BC 50 108A 4 -9,-1.7 -9,-2.9 49,-0.2 2,-0.4 -0.930 34.9-110.4-149.3 173.7 23.1 17.0 20.2 60 66 A I E -BC 49 107A 30 47,-1.8 47,-2.9 -2,-0.3 2,-0.5 -0.964 25.8-158.1-108.7 131.5 24.4 13.5 19.8 61 67 A I E -BC 48 106A 7 -13,-2.6 -13,-2.3 -2,-0.4 2,-0.7 -0.969 2.5-164.7-110.6 119.7 28.2 13.2 19.2 62 68 A K E -BC 47 105A 12 43,-3.1 43,-2.7 -2,-0.5 2,-0.6 -0.914 6.6-159.0-107.9 108.4 29.2 9.9 17.6 63 69 A I E -BC 46 104A 39 -17,-3.0 -17,-2.2 -2,-0.7 2,-0.3 -0.801 16.0-138.1 -92.8 120.2 33.0 9.5 18.0 64 70 A L E -B 45 0A 13 39,-2.8 -19,-0.2 -2,-0.6 3,-0.1 -0.554 3.3-135.3 -84.9 134.4 34.3 7.1 15.4 65 71 A K - 0 0 81 -21,-2.6 -1,-0.0 -2,-0.3 -21,-0.0 -0.385 63.6 -52.0 -72.1 161.9 36.8 4.4 16.1 66 72 A P S S+ 0 0 140 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.121 75.1 178.3 -46.3 121.1 39.6 4.2 13.4 67 73 A V - 0 0 54 -3,-0.1 -3,-0.0 3,-0.0 2,-0.0 -0.966 31.6-107.1-136.0 142.8 37.9 3.9 10.0 68 74 A K > - 0 0 170 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.330 31.5-122.2 -63.9 146.6 38.9 3.6 6.3 69 75 A K H > S+ 0 0 105 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.927 111.0 54.8 -58.8 -48.0 38.2 6.7 4.1 70 76 A K H > S+ 0 0 111 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.893 110.5 46.6 -48.7 -47.3 36.0 4.8 1.7 71 77 A K H > S+ 0 0 58 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.908 111.6 47.3 -69.8 -45.6 33.7 3.6 4.5 72 78 A I H X S+ 0 0 4 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.865 110.9 52.6 -63.8 -37.6 33.3 6.9 6.4 73 79 A K H X S+ 0 0 37 -4,-2.3 4,-2.8 -5,-0.2 -1,-0.2 0.852 106.1 55.5 -66.2 -38.0 32.5 8.7 3.2 74 80 A R H X S+ 0 0 33 -4,-1.5 4,-2.1 -5,-0.2 -2,-0.2 0.931 111.1 43.0 -54.9 -48.3 29.8 6.0 2.5 75 81 A E H X S+ 0 0 12 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.936 117.2 46.8 -68.1 -46.8 28.1 6.8 5.9 76 82 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.919 112.3 48.4 -58.2 -45.8 28.4 10.5 5.4 77 83 A K H X S+ 0 0 33 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.908 113.6 48.4 -64.9 -40.7 27.1 10.6 1.8 78 84 A I H X S+ 0 0 0 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.926 112.2 48.8 -63.9 -44.0 24.2 8.4 2.9 79 85 A L H X S+ 0 0 0 -4,-2.7 4,-1.2 2,-0.2 12,-0.3 0.897 112.7 47.1 -60.4 -44.7 23.4 10.6 5.8 80 86 A Q H >< S+ 0 0 82 -4,-2.5 3,-0.6 1,-0.2 -2,-0.2 0.945 111.9 51.2 -63.9 -49.9 23.6 13.8 3.6 81 87 A N H 3< S+ 0 0 29 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.809 118.4 37.1 -53.8 -39.5 21.4 12.2 0.9 82 88 A L H >< S+ 0 0 0 -4,-2.1 3,-2.4 -5,-0.1 -1,-0.2 0.503 83.0 125.3 -93.8 -11.6 18.7 11.1 3.5 83 89 A X T << S+ 0 0 69 -4,-1.2 7,-0.1 -3,-0.6 6,-0.1 -0.310 77.4 24.0 -55.0 127.4 18.9 14.2 5.8 84 90 A G T 3 S+ 0 0 51 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.133 92.6 126.5 102.5 -19.3 15.3 15.7 6.1 85 91 A G S X S- 0 0 6 -3,-2.4 3,-1.7 1,-0.2 -1,-0.4 -0.248 75.9 -71.4 -67.8 158.2 13.5 12.4 5.2 86 92 A P T 3 S- 0 0 59 0, 0.0 54,-0.2 0, 0.0 -1,-0.2 -0.303 111.1 -13.3 -61.0 123.8 10.8 11.1 7.5 87 93 A N T 3 S+ 0 0 20 1,-0.2 80,-2.4 -3,-0.1 2,-0.5 0.607 96.1 138.8 62.2 18.7 12.1 9.6 10.7 88 94 A I B < -e 167 0B 0 -3,-1.7 -4,-0.4 78,-0.2 -1,-0.2 -0.829 62.8-108.4 -88.6 125.5 15.7 9.6 9.4 89 95 A V - 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0 0 52 -5,-0.1 -5,-1.9 -36,-0.1 -1,-0.3 -0.584 28.7-139.4 -66.3 116.5 39.6 11.3 15.2 103 109 A P E - D 0 96A 14 0, 0.0 -39,-2.8 0, 0.0 2,-0.4 -0.530 16.7-165.8 -88.1 148.6 36.2 12.1 13.5 104 110 A S E -CD 63 95A 6 -9,-3.0 -9,-2.5 -41,-0.2 2,-0.5 -0.992 10.2-148.0-127.5 134.4 33.0 12.8 15.2 105 111 A L E -CD 62 94A 0 -43,-2.7 -43,-3.1 -2,-0.4 2,-0.5 -0.920 14.5-150.1-100.9 132.0 29.5 12.9 13.6 106 112 A I E +CD 61 93A 1 -13,-2.6 -14,-3.1 -2,-0.5 -13,-1.4 -0.917 19.7 179.0-109.3 125.3 27.1 15.4 15.1 107 113 A F E -CD 60 91A 12 -47,-2.9 -47,-1.8 -2,-0.5 -16,-0.2 -0.705 38.1 -86.1-118.1 160.7 23.4 14.5 15.0 108 114 A E E -C 59 0A 28 -18,-1.7 2,-0.3 -2,-0.2 -49,-0.2 -0.405 57.8-105.1 -49.4 141.3 20.1 16.1 16.2 109 115 A Y - 0 0 47 -51,-0.6 2,-0.4 -50,-0.1 -1,-0.1 -0.626 35.1-168.0 -76.9 136.7 19.5 15.0 19.8 110 116 A V - 0 0 13 -2,-0.3 2,-1.9 -3,-0.0 48,-0.1 -0.996 21.3-136.8-124.1 127.2 16.8 12.3 20.4 111 117 A N - 0 0 75 -2,-0.4 49,-0.3 46,-0.1 50,-0.3 -0.559 38.3-170.6 -84.6 78.8 15.6 11.6 23.9 112 118 A N - 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0 0 100 -5,-1.4 -1,-0.2 -6,-0.2 -2,-0.1 -0.900 49.8-140.6-140.6 100.5 10.6 -13.0 22.6 224 230 A E S S+ 0 0 75 -2,-0.4 2,-0.1 1,-0.2 -9,-0.0 -0.937 88.4 13.9-118.8 109.8 13.8 -10.9 22.4 225 231 A P S S- 0 0 17 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.764 81.6-155.3 -78.7 161.3 15.5 -11.8 20.0 226 232 A F S S+ 0 0 15 -12,-0.3 2,-0.8 1,-0.3 -2,-0.1 0.941 89.2 37.6 -67.8 -49.7 12.9 -13.8 18.1 227 233 A F S S- 0 0 4 -37,-0.4 2,-1.0 -4,-0.0 -1,-0.3 -0.902 78.6-170.4-104.1 102.3 15.5 -16.0 16.2 228 234 A Y + 0 0 119 -2,-0.8 2,-0.2 -3,-0.2 -38,-0.0 -0.695 15.3 165.5 -99.2 77.5 18.2 -16.6 18.8 229 235 A G - 0 0 0 -2,-1.0 6,-0.1 1,-0.1 3,-0.1 -0.644 33.4-146.6 -92.7 150.4 21.1 -18.2 16.9 230 236 A H S S+ 0 0 132 -2,-0.2 2,-0.3 1,-0.2 -1,-0.1 0.814 80.7 0.8 -87.7 -35.3 24.7 -18.5 18.4 231 237 A D S > S- 0 0 86 -42,-0.1 4,-2.3 0, 0.0 -1,-0.2 -0.825 91.8 -83.9-140.3-178.5 26.6 -18.2 15.0 232 238 A N H > S+ 0 0 69 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.731 126.7 48.9 -69.1 -27.3 25.6 -17.6 11.4 233 239 A H H > S+ 0 0 43 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.940 112.5 47.6 -72.2 -45.6 25.0 -21.3 10.7 234 240 A D H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.818 104.4 63.1 -64.0 -34.4 22.9 -21.7 13.8 235 241 A Q H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.936 104.6 45.4 -54.2 -49.6 21.0 -18.5 12.8 236 242 A L H X S+ 0 0 0 -4,-1.2 4,-2.7 -3,-0.3 -2,-0.2 0.889 111.6 54.4 -63.3 -39.0 19.8 -20.3 9.6 237 243 A V H X S+ 0 0 6 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.942 106.3 50.3 -54.6 -50.9 18.9 -23.4 11.7 238 244 A K H < S+ 0 0 65 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.894 113.8 45.8 -58.0 -40.9 16.7 -21.3 14.1 239 245 A I H >X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 3,-2.1 0.944 110.3 53.3 -66.1 -48.2 14.9 -19.8 11.1 240 246 A A H 3X S+ 0 0 0 -4,-2.7 4,-1.7 1,-0.3 -1,-0.2 0.792 101.4 60.6 -59.9 -33.0 14.4 -23.2 9.4 241 247 A K H 3< S+ 0 0 94 -4,-2.0 -1,-0.3 2,-0.2 -2,-0.2 0.470 115.2 33.8 -76.3 -4.2 12.9 -24.7 12.6 242 248 A V H <4 S+ 0 0 15 -3,-2.1 31,-2.9 -4,-0.2 -2,-0.2 0.715 126.9 34.9-110.7 -56.8 10.1 -22.1 12.4 243 249 A L H < S- 0 0 19 -4,-2.8 4,-0.3 29,-0.2 29,-0.3 0.631 109.8-124.8 -75.3 -15.6 9.5 -21.6 8.6 244 250 A G X - 0 0 3 -4,-1.7 4,-0.7 27,-0.4 27,-0.2 0.257 13.6 -98.1 82.0 154.5 10.3 -25.2 7.8 245 251 A T H > S+ 0 0 3 25,-2.3 4,-2.9 1,-0.2 5,-0.2 0.728 110.8 69.5 -83.4 -23.6 12.8 -26.7 5.4 246 252 A D H > S+ 0 0 117 24,-0.6 4,-2.4 1,-0.2 -1,-0.2 0.940 102.7 45.8 -59.0 -47.5 10.5 -27.3 2.4 247 253 A G H > S+ 0 0 31 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.808 112.2 53.2 -63.5 -30.9 10.1 -23.5 1.8 248 254 A L H X S+ 0 0 2 -4,-0.7 4,-2.7 2,-0.2 -2,-0.2 0.919 107.7 49.8 -69.1 -45.1 13.9 -23.3 2.2 249 255 A N H X S+ 0 0 66 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.930 110.3 49.7 -60.1 -42.7 14.5 -25.9 -0.4 250 256 A V H X S+ 0 0 92 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.928 111.8 49.7 -62.0 -43.8 12.1 -24.2 -2.9 251 257 A Y H X S+ 0 0 3 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.944 109.7 50.9 -54.6 -54.6 14.0 -20.9 -2.3 252 258 A L H X>S+ 0 0 8 -4,-2.7 5,-2.7 1,-0.2 4,-0.6 0.905 112.1 45.4 -53.5 -47.5 17.4 -22.5 -2.8 253 259 A N H ><5S+ 0 0 117 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.899 107.0 59.4 -71.4 -34.2 16.5 -24.0 -6.1 254 260 A K H 3<5S+ 0 0 99 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.904 116.0 33.9 -54.2 -46.2 14.8 -20.8 -7.3 255 261 A Y H 3<5S- 0 0 29 -4,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.379 111.4-119.0 -96.0 5.2 18.1 -18.9 -7.0 256 262 A R T <<5 + 0 0 215 -3,-0.7 2,-0.4 -4,-0.6 -3,-0.2 0.944 60.5 155.1 58.9 50.3 20.3 -21.9 -7.9 257 263 A I < - 0 0 26 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.898 31.4-157.9-113.6 137.2 22.0 -21.8 -4.5 258 264 A E - 0 0 185 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.971 16.4-130.9-116.1 133.7 23.7 -24.7 -2.8 259 265 A L - 0 0 19 -2,-0.4 -61,-0.1 1,-0.1 -60,-0.0 -0.438 35.9 -96.8 -70.4 145.9 24.3 -24.8 1.0 260 266 A D >> - 0 0 84 1,-0.1 4,-2.9 -2,-0.1 3,-0.6 -0.447 39.9-116.4 -55.7 136.7 27.8 -25.7 2.3 261 267 A P H 3> S+ 0 0 110 0, 0.0 4,-2.2 0, 0.0 -1,-0.1 0.855 116.8 52.2 -45.7 -41.4 27.5 -29.4 3.0 262 268 A Q H 3> S+ 0 0 133 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.847 111.1 46.6 -64.4 -39.5 28.2 -28.6 6.8 263 269 A L H <> S+ 0 0 6 -3,-0.6 4,-2.5 2,-0.2 5,-0.2 0.948 109.7 53.1 -69.0 -48.0 25.4 -26.0 6.8 264 270 A E H X S+ 0 0 128 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.907 109.8 50.0 -51.3 -45.5 23.0 -28.4 5.0 265 271 A A H < S+ 0 0 76 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.928 110.3 49.0 -60.5 -47.7 23.7 -31.0 7.6 266 272 A L H < S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.884 107.2 55.1 -60.0 -41.2 23.0 -28.6 10.5 267 273 A V H < S+ 0 0 5 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.907 83.3 169.5 -63.7 -40.4 19.7 -27.4 9.0 268 274 A G < - 0 0 42 -4,-1.7 2,-0.4 -5,-0.2 -1,-0.1 -0.342 46.9 -47.4 66.3-146.8 18.3 -30.9 8.9 269 275 A R + 0 0 195 -25,-0.0 2,-0.3 -2,-0.0 -28,-0.0 -0.987 63.0 169.9-128.8 133.9 14.6 -31.4 8.1 270 276 A H - 0 0 52 -2,-0.4 -25,-2.3 -30,-0.1 -24,-0.6 -0.999 26.9-131.1-148.3 140.2 11.8 -29.4 9.8 271 277 A S - 0 0 109 -2,-0.3 -27,-0.4 -27,-0.2 2,-0.3 -0.525 42.6 -90.8 -83.5 158.3 8.1 -28.8 9.5 272 278 A R - 0 0 142 -29,-0.3 -29,-0.2 -2,-0.2 -30,-0.1 -0.529 32.9-143.8 -67.8 130.8 6.6 -25.3 9.6 273 279 A K - 0 0 77 -31,-2.9 5,-0.1 -2,-0.3 -1,-0.0 -0.898 22.6-123.7 -96.4 113.2 5.6 -24.1 13.0 274 280 A P > - 0 0 59 0, 0.0 3,-1.0 0, 0.0 4,-0.1 -0.177 18.6-120.2 -52.6 146.7 2.4 -22.0 12.8 275 281 A W G > S+ 0 0 10 1,-0.2 3,-1.6 2,-0.2 4,-0.2 0.767 108.9 67.5 -60.4 -28.1 2.8 -18.5 14.2 276 282 A L G > S+ 0 0 99 1,-0.3 3,-2.3 2,-0.2 -1,-0.2 0.792 82.0 75.6 -67.6 -27.8 0.0 -19.1 16.8 277 283 A K G < S+ 0 0 139 -3,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.588 89.8 59.2 -53.6 -15.7 2.3 -21.6 18.5 278 284 A F G < S+ 0 0 18 -3,-1.6 -1,-0.3 -4,-0.1 2,-0.2 0.463 81.9 108.5 -95.6 -6.2 4.2 -18.6 19.9 279 285 A M < + 0 0 83 -3,-2.3 2,-0.3 -4,-0.2 -58,-0.1 -0.529 39.5 150.5 -74.6 141.8 1.2 -17.1 21.6 280 286 A N > - 0 0 81 -2,-0.2 4,-1.2 -59,-0.0 3,-0.2 -0.869 58.6 -79.3-154.6-176.9 1.1 -17.3 25.4 281 287 A A T 4 S+ 0 0 87 -2,-0.3 4,-0.3 1,-0.2 3,-0.1 0.820 121.1 51.9 -65.9 -39.7 -0.4 -15.4 28.4 282 288 A D T 4 S+ 0 0 90 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.875 120.8 32.7 -60.3 -41.1 2.2 -12.6 28.5 283 289 A N T >4 S+ 0 0 0 -3,-0.2 3,-2.6 -62,-0.2 4,-0.3 0.560 88.0 102.9 -98.3 -9.7 1.9 -11.7 24.9 284 290 A Q G >< S+ 0 0 123 -4,-1.2 3,-0.9 1,-0.3 -1,-0.2 0.714 74.1 58.8 -55.0 -40.5 -1.8 -12.5 24.2 285 291 A H G 3 S+ 0 0 104 -4,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.599 111.1 48.6 -63.9 -11.1 -3.1 -8.9 24.3 286 292 A L G < S+ 0 0 2 -3,-2.6 -1,-0.2 -66,-0.2 -2,-0.2 0.602 90.4 77.9 -99.6 -15.4 -0.6 -8.3 21.4 287 293 A V < + 0 0 8 -3,-0.9 5,-0.2 -4,-0.3 -1,-0.1 -0.067 53.0 158.6-106.9 39.8 -1.2 -11.2 18.8 288 294 A S > - 0 0 36 -3,-0.1 4,-2.4 -2,-0.1 3,-0.2 0.119 57.5-102.5 -50.6 157.7 -4.3 -10.7 16.6 289 295 A P H > S+ 0 0 119 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.837 125.3 55.1 -54.7 -26.9 -5.0 -12.3 13.2 290 296 A E H > S+ 0 0 81 2,-0.2 4,-2.1 1,-0.2 27,-0.3 0.908 106.4 50.0 -72.7 -42.3 -4.0 -8.9 11.6 291 297 A A H > S+ 0 0 0 -3,-0.2 4,-3.0 2,-0.2 5,-0.2 0.951 115.3 44.6 -52.3 -55.0 -0.6 -9.0 13.5 292 298 A I H X S+ 0 0 26 -4,-2.4 4,-3.1 2,-0.2 5,-0.2 0.903 110.2 51.6 -62.8 -47.2 -0.0 -12.5 12.3 293 299 A D H X S+ 0 0 60 -4,-2.7 4,-1.2 -5,-0.2 -1,-0.2 0.944 114.7 45.1 -56.9 -42.2 -1.1 -12.0 8.6 294 300 A F H >X S+ 0 0 0 -4,-2.1 4,-0.7 2,-0.2 3,-0.7 0.953 113.0 49.4 -66.5 -49.7 1.3 -9.0 8.5 295 301 A L H >X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 3,-1.6 0.933 109.0 53.9 -57.0 -43.7 4.2 -10.8 10.2 296 302 A D H 3< S+ 0 0 25 -4,-3.1 -1,-0.3 1,-0.3 -2,-0.2 0.815 104.2 54.9 -60.3 -32.4 3.7 -13.8 7.8 297 303 A K H << S+ 0 0 73 -4,-1.2 10,-1.8 -3,-0.7 -1,-0.3 0.583 113.1 42.6 -78.2 -11.4 4.0 -11.5 4.9 298 304 A L H << S+ 0 0 0 -3,-1.6 2,-1.9 -4,-0.7 -2,-0.2 0.832 102.2 65.5 -95.1 -50.1 7.4 -10.2 6.1 299 305 A L < + 0 0 2 -4,-2.5 2,-0.4 -86,-0.1 -1,-0.2 -0.518 69.1 134.1 -84.0 75.5 9.1 -13.4 7.3 300 306 A R - 0 0 72 -2,-1.9 6,-0.2 -3,-0.2 5,-0.1 -0.978 55.5-139.2-119.7 130.2 9.5 -15.2 3.9 301 307 A Y S S+ 0 0 14 -2,-0.4 2,-0.8 -107,-0.1 -106,-0.2 0.927 91.8 76.1 -45.7 -49.9 12.7 -16.9 2.8 302 308 A D S >> S- 0 0 7 1,-0.2 3,-1.4 -108,-0.1 4,-0.7 -0.597 71.1-159.6 -78.2 112.7 12.2 -15.5 -0.6 303 309 A H T 34 S+ 0 0 2 -2,-0.8 3,-0.5 1,-0.3 -1,-0.2 0.773 91.1 60.8 -57.8 -30.2 13.2 -11.9 -0.5 304 310 A Q T 34 S+ 0 0 49 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.698 102.0 53.9 -73.1 -20.1 11.2 -11.2 -3.6 305 311 A E T <4 S+ 0 0 100 -3,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.626 85.3 101.7 -83.4 -24.0 8.0 -12.4 -1.8 306 312 A R S < S- 0 0 4 -4,-0.7 -8,-0.2 -3,-0.5 -9,-0.1 -0.286 83.4 -95.8 -67.1 154.2 8.2 -10.1 1.2 307 313 A L - 0 0 25 -10,-1.8 2,-0.1 -13,-0.2 -1,-0.1 -0.389 37.5-123.6 -60.5 145.7 6.0 -7.0 1.4 308 314 A T > - 0 0 27 1,-0.1 4,-2.5 -3,-0.1 5,-0.2 -0.398 29.4-106.5 -78.6 160.8 7.8 -3.8 0.3 309 315 A A H > S+ 0 0 2 1,-0.2 4,-2.0 2,-0.2 -170,-0.2 0.910 123.4 53.9 -58.3 -38.9 7.8 -1.0 2.9 310 316 A L H > S+ 0 0 93 1,-0.2 4,-0.8 2,-0.2 -1,-0.2 0.931 110.8 46.0 -62.6 -48.3 5.2 0.9 0.9 311 317 A E H >> S+ 0 0 80 1,-0.2 3,-1.0 2,-0.2 4,-0.7 0.901 109.0 54.6 -56.1 -45.4 2.9 -2.2 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.5 3,-1.3 1,-0.3 6,-0.2 0.886 101.4 58.4 -61.3 -39.3 3.4 -2.9 4.6 313 319 A M H 3< S+ 0 0 24 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.790 108.2 47.7 -63.6 -23.2 2.3 0.7 5.4 314 320 A T H << S+ 0 0 92 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.508 81.7 120.0 -92.7 -7.8 -1.1 -0.1 3.7 315 321 A H S X< S- 0 0 11 -3,-1.3 3,-2.0 -4,-0.7 4,-0.1 -0.260 76.3-118.6 -59.5 138.5 -1.6 -3.5 5.4 316 322 A P G > S+ 0 0 70 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.790 107.2 79.3 -52.2 -25.0 -5.0 -3.4 7.4 317 323 A Y G 3 S+ 0 0 1 1,-0.3 3,-0.4 -27,-0.3 4,-0.2 0.855 99.0 42.4 -44.8 -38.6 -3.0 -4.0 10.6 318 324 A F G <> S+ 0 0 0 -3,-2.0 4,-2.3 -6,-0.2 -1,-0.3 0.246 78.4 114.1 -95.1 11.6 -2.1 -0.3 10.5 319 325 A Q H <> S+ 0 0 116 -3,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.863 77.3 48.7 -59.7 -34.6 -5.5 0.9 9.6 320 326 A Q H > S+ 0 0 116 -3,-0.4 4,-2.3 -4,-0.3 -1,-0.2 0.889 110.2 52.0 -69.3 -41.3 -6.1 2.8 13.0 321 327 A V H > S+ 0 0 3 2,-0.2 4,-1.7 -4,-0.2 -2,-0.2 0.901 112.8 44.9 -58.7 -43.7 -2.7 4.5 12.7 322 328 A R H X S+ 0 0 59 -4,-2.3 4,-2.9 2,-0.2 5,-0.2 0.924 112.0 52.2 -66.2 -45.8 -3.5 5.8 9.1 323 329 A A H X S+ 0 0 58 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.917 111.3 47.1 -59.4 -42.1 -6.9 6.9 10.2 324 330 A A H < S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.884 113.6 48.2 -65.0 -36.9 -5.5 8.8 13.1 325 331 A E H < S+ 0 0 87 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.868 109.3 52.5 -73.8 -39.8 -2.8 10.4 10.9 326 332 A N H < 0 0 132 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.941 360.0 360.0 -59.8 -49.8 -5.3 11.4 8.1 327 333 A S < 0 0 143 -4,-2.0 -1,-0.2 -5,-0.2 -3,-0.1 0.643 360.0 360.0 29.0 360.0 -7.6 13.2 10.6