==== 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 3KXN . 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) . 16136.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 210 64.2 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 . 22 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 29.4 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 0 1 1 1 1 0 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 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 45 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 135.2 17.8 -10.9 -8.7 2 8 A K - 0 0 126 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.975 360.0 -89.3-132.3 151.1 16.8 -7.2 -9.0 3 9 A A - 0 0 4 -2,-0.3 4,-0.2 200,-0.1 301,-0.1 -0.310 23.8-140.1 -58.4 139.1 14.6 -5.1 -6.7 4 10 A R S S+ 0 0 163 2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.567 87.0 27.7 -78.8 -10.1 10.9 -5.0 -7.6 5 11 A V S S+ 0 0 60 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.992 120.2 14.7-148.4 156.0 10.8 -1.2 -6.7 6 12 A Y S > S+ 0 0 66 -2,-0.3 3,-1.5 1,-0.1 4,-0.3 0.683 75.0 142.5 60.0 19.5 13.1 1.8 -6.7 7 13 A A T 3 + 0 0 18 1,-0.3 3,-0.2 -4,-0.2 4,-0.1 0.827 69.3 41.0 -65.2 -29.7 15.5 -0.3 -8.9 8 14 A D T 3> S+ 0 0 89 1,-0.1 4,-1.3 2,-0.1 -1,-0.3 0.089 76.8 109.9-105.4 15.9 16.5 2.7 -11.0 9 15 A V T X4 S+ 0 0 18 -3,-1.5 3,-0.5 1,-0.2 4,-0.4 0.965 88.8 37.0 -58.0 -52.4 16.9 5.6 -8.4 10 16 A N T 34 S+ 0 0 4 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.694 109.4 64.4 -74.2 -24.4 20.7 5.8 -8.6 11 17 A V T 34 S+ 0 0 97 1,-0.2 -1,-0.2 -4,-0.1 -2,-0.2 0.818 108.3 40.1 -61.1 -37.3 20.7 5.2 -12.4 12 18 A L S << S+ 0 0 130 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.481 101.2 85.9 -96.2 -4.1 18.8 8.4 -13.0 13 19 A R S S- 0 0 78 -4,-0.4 2,-0.1 -3,-0.2 5,-0.1 -0.594 92.1 -88.3 -97.2 158.8 20.5 10.7 -10.6 14 20 A P >> - 0 0 79 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.425 39.5-116.7 -61.7 140.6 23.8 12.6 -11.2 15 21 A K H >> S+ 0 0 123 1,-0.3 4,-3.4 2,-0.2 3,-0.7 0.805 112.0 68.6 -51.6 -35.4 26.9 10.5 -10.3 16 22 A E H 34 S+ 0 0 144 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.780 91.3 64.7 -53.7 -29.3 27.8 12.9 -7.5 17 23 A Y H <4 S+ 0 0 32 -3,-2.7 -1,-0.2 1,-0.1 -2,-0.2 0.938 120.9 14.3 -59.5 -48.7 24.8 11.6 -5.7 18 24 A W H << S+ 0 0 69 -3,-0.7 2,-2.9 -4,-0.5 -2,-0.2 0.670 100.4 92.7-106.7 -23.1 26.0 8.0 -5.3 19 25 A D >< + 0 0 45 -4,-3.4 3,-1.8 1,-0.2 -1,-0.1 -0.409 49.9 168.5 -69.5 68.1 29.7 8.3 -6.1 20 26 A Y G > + 0 0 25 -2,-2.9 3,-1.9 1,-0.3 -1,-0.2 0.731 62.8 74.5 -58.0 -24.6 30.5 8.8 -2.3 21 27 A E G 3 S+ 0 0 104 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.687 90.9 59.3 -66.9 -10.2 34.3 8.4 -3.0 22 28 A A G < S+ 0 0 66 -3,-1.8 -1,-0.3 -6,-0.1 -2,-0.2 0.411 79.6 116.9 -93.8 1.6 34.3 11.8 -4.5 23 29 A L < - 0 0 22 -3,-1.9 2,-0.5 -4,-0.1 50,-0.1 -0.414 48.4-159.6 -68.9 140.5 33.0 13.6 -1.4 24 30 A T - 0 0 102 -2,-0.1 2,-0.2 49,-0.0 -2,-0.0 -0.976 22.1-129.4-120.0 118.8 35.3 16.2 0.3 25 31 A V - 0 0 26 -2,-0.5 2,-1.1 1,-0.1 48,-0.0 -0.419 5.4-143.9 -67.6 124.7 34.3 16.8 3.9 26 32 A Q - 0 0 150 -2,-0.2 68,-0.3 69,-0.0 2,-0.2 -0.781 28.2-142.7 -82.6 99.3 33.8 20.4 5.0 27 33 A W - 0 0 90 -2,-1.1 68,-0.2 1,-0.1 3,-0.0 -0.407 13.4-153.1 -70.1 131.1 35.2 20.1 8.6 28 34 A G - 0 0 32 66,-3.5 2,-0.7 -2,-0.2 68,-0.3 0.090 35.1 -69.3 -83.3-153.2 33.4 22.1 11.3 29 35 A E > - 0 0 102 1,-0.1 3,-2.1 66,-0.1 4,-0.2 -0.853 31.0-155.4-113.7 110.6 34.8 23.5 14.5 30 36 A Q G > S+ 0 0 63 -2,-0.7 3,-1.2 66,-0.3 -1,-0.1 0.765 90.3 61.9 -49.9 -36.9 35.6 20.9 17.2 31 37 A D G 3 S+ 0 0 124 1,-0.2 -1,-0.3 3,-0.0 22,-0.1 0.629 82.1 77.6 -73.7 -14.1 35.2 23.5 20.0 32 38 A D G < S+ 0 0 40 -3,-2.1 21,-3.3 1,-0.1 22,-0.4 0.644 96.5 53.0 -60.0 -17.3 31.5 24.2 19.4 33 39 A Y E < -A 52 0A 33 -3,-1.2 2,-0.4 19,-0.3 19,-0.2 -0.994 63.3-170.5-133.7 125.4 30.6 20.9 21.1 34 40 A E E -A 51 0A 116 17,-2.2 17,-2.1 -2,-0.4 2,-0.2 -0.960 27.6-117.9-116.2 135.7 31.6 19.5 24.5 35 41 A V E +A 50 0A 74 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.497 27.7 178.3 -67.3 132.2 30.9 16.0 25.8 36 42 A V E - 0 0 90 13,-2.7 2,-0.3 1,-0.3 14,-0.2 0.819 62.2 -23.6 -98.4 -52.3 28.7 15.8 28.9 37 43 A R E -A 49 0A 137 12,-1.5 12,-2.3 0, 0.0 -1,-0.3 -0.976 64.1 -97.4-161.7 153.8 28.4 11.9 29.5 38 44 A K E +A 48 0A 104 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.456 37.2 164.9 -69.4 139.5 28.8 8.5 27.7 39 45 A V E + 0 0 73 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.425 58.5 1.5-130.4 -10.1 25.5 6.9 26.6 40 46 A G E -A 47 0A 26 7,-1.7 7,-2.6 2,-0.0 -1,-0.4 -0.989 49.0-169.8-169.9 163.1 26.5 4.2 24.2 41 47 A R E +A 46 0A 184 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.981 7.5 170.1-155.0 164.7 29.3 2.2 22.4 42 48 A G E > -A 45 0A 31 3,-2.4 3,-0.5 -2,-0.3 -2,-0.0 -0.936 54.9 -74.1-158.8-177.5 29.8 -0.3 19.7 43 49 A K T 3 S+ 0 0 161 -2,-0.3 3,-0.0 1,-0.2 -1,-0.0 0.849 129.7 32.2 -50.8 -40.2 32.5 -2.0 17.6 44 50 A Y T 3 S+ 0 0 138 1,-0.1 21,-2.3 20,-0.1 2,-0.3 0.457 121.7 11.7-106.9 -1.7 33.1 1.2 15.6 45 51 A S E < -AB 42 64A 11 -3,-0.5 -3,-2.4 19,-0.2 2,-0.3 -0.996 51.3-126.1-162.0 164.3 32.4 4.1 18.0 46 52 A E E -AB 41 63A 77 17,-2.1 17,-2.4 -2,-0.3 2,-0.4 -0.935 30.0-152.1-112.8 147.7 31.7 5.7 21.3 47 53 A V E +AB 40 62A 33 -7,-2.6 -8,-3.3 -2,-0.3 -7,-1.7 -0.979 14.4 179.6-131.9 127.6 28.6 7.9 21.8 48 54 A F E -AB 38 61A 27 13,-3.2 13,-3.8 -2,-0.4 2,-0.3 -0.946 30.0-126.2-130.2 140.9 28.0 10.8 24.1 49 55 A E E +AB 37 60A 17 -12,-2.3 -13,-2.7 -2,-0.4 -12,-1.5 -0.629 48.4 164.6 -68.4 140.2 25.4 13.2 25.0 50 56 A G E -AB 35 59A 1 9,-2.5 9,-1.5 -2,-0.3 2,-0.4 -0.843 32.8-107.3-143.0-170.1 26.8 16.7 24.7 51 57 A I E -AB 34 58A 47 -17,-2.1 -17,-2.2 -2,-0.3 2,-0.6 -0.995 16.4-133.7-126.2 134.7 26.2 20.5 24.4 52 58 A N E > -A 33 0A 24 5,-2.2 4,-2.0 -2,-0.4 5,-0.3 -0.773 23.1-153.1 -70.6 110.9 26.5 23.0 21.6 53 59 A V T 4 S+ 0 0 56 -21,-3.3 -1,-0.1 -2,-0.6 -20,-0.1 0.788 86.6 55.6 -67.3 -29.9 28.4 25.9 23.3 54 60 A N T 4 S+ 0 0 105 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.970 127.1 14.4 -60.6 -56.8 27.0 28.7 21.1 55 61 A N T 4 S- 0 0 71 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 0.446 93.7-125.7-103.9 -5.1 23.3 28.0 21.6 56 62 A N < + 0 0 115 -4,-2.0 -3,-0.1 1,-0.2 2,-0.1 0.617 59.7 144.2 64.2 12.2 23.3 25.7 24.7 57 63 A E - 0 0 114 -5,-0.3 -5,-2.2 1,-0.1 -1,-0.2 -0.388 52.4-109.6 -63.2 151.9 21.2 23.0 22.9 58 64 A K E +B 51 0A 113 -7,-0.2 51,-0.4 -2,-0.1 2,-0.3 -0.437 41.5 170.1 -75.4 160.9 21.8 19.3 23.5 59 65 A C E -B 50 0A 3 -9,-1.5 -9,-2.5 49,-0.2 2,-0.4 -0.914 31.9-114.3-149.6 177.9 23.4 17.2 20.8 60 66 A I E -BC 49 107A 26 47,-2.3 47,-2.7 -2,-0.3 2,-0.5 -0.987 23.6-156.0-118.5 137.7 24.7 13.7 20.4 61 67 A I E -BC 48 106A 9 -13,-3.8 -13,-3.2 -2,-0.4 2,-0.7 -0.960 5.9-169.2-120.1 121.0 28.4 13.2 19.7 62 68 A K E -BC 47 105A 15 43,-2.5 43,-2.7 -2,-0.5 2,-0.5 -0.909 6.0-162.8-115.1 105.2 29.6 10.0 18.0 63 69 A I E -BC 46 104A 48 -17,-2.4 -17,-2.1 -2,-0.7 2,-0.3 -0.761 15.9-140.3 -90.1 125.9 33.4 9.6 18.1 64 70 A L E -B 45 0A 14 39,-2.2 -19,-0.2 -2,-0.5 3,-0.1 -0.624 5.0-132.5 -91.6 145.3 34.6 7.1 15.5 65 71 A K - 0 0 84 -21,-2.3 -1,-0.0 -2,-0.3 -21,-0.0 -0.430 62.9 -51.7 -82.7 166.8 37.4 4.5 16.1 66 72 A P S S+ 0 0 142 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.150 74.5 174.1 -52.3 127.2 40.0 4.3 13.3 67 73 A V - 0 0 56 -3,-0.1 2,-0.1 3,-0.0 -3,-0.0 -0.964 35.0 -96.7-135.3 143.8 38.2 3.8 10.0 68 74 A K > - 0 0 169 -2,-0.3 4,-2.3 1,-0.1 5,-0.2 -0.377 33.1-121.8 -56.3 135.3 39.1 3.6 6.2 69 75 A K H > S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.903 113.0 50.7 -39.8 -59.1 38.7 6.8 4.2 70 76 A K H > S+ 0 0 101 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.921 108.3 50.4 -50.2 -55.0 36.3 5.0 1.9 71 77 A K H > S+ 0 0 51 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.896 111.1 48.3 -54.3 -43.9 34.1 3.6 4.6 72 78 A I H X S+ 0 0 23 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.836 107.3 53.1 -74.1 -37.2 33.7 6.9 6.4 73 79 A K H X S+ 0 0 30 -4,-1.9 4,-1.9 -5,-0.2 -1,-0.2 0.741 106.7 56.3 -60.0 -31.3 32.7 9.0 3.3 74 80 A R H X S+ 0 0 35 -4,-1.4 4,-2.4 -3,-0.3 5,-0.3 0.978 108.7 45.7 -65.3 -57.4 30.0 6.3 2.5 75 81 A E H X S+ 0 0 12 -4,-1.9 4,-2.8 1,-0.2 3,-0.3 0.970 117.0 43.7 -49.6 -60.6 28.4 6.9 6.0 76 82 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.888 112.6 51.4 -54.1 -44.1 28.5 10.7 5.7 77 83 A K H X S+ 0 0 34 -4,-1.9 4,-2.6 2,-0.2 -1,-0.2 0.912 112.5 46.1 -58.9 -42.6 27.3 10.9 2.1 78 84 A I H X S+ 0 0 0 -4,-2.4 4,-1.7 -3,-0.3 -2,-0.2 0.947 112.2 51.7 -69.0 -46.8 24.3 8.7 2.9 79 85 A L H X S+ 0 0 3 -4,-2.8 4,-1.0 -5,-0.3 12,-0.3 0.851 112.6 45.3 -54.1 -39.5 23.6 10.8 6.0 80 86 A Q H < S+ 0 0 83 -4,-2.3 3,-0.5 -5,-0.2 -1,-0.2 0.914 109.6 54.8 -72.9 -44.9 23.7 14.0 4.0 81 87 A N H < S+ 0 0 32 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.781 117.2 37.4 -55.4 -31.7 21.5 12.5 1.2 82 88 A L H >< S+ 0 0 0 -4,-1.7 3,-2.4 -5,-0.1 -1,-0.2 0.478 80.1 126.3-104.5 -9.5 18.8 11.6 3.8 83 89 A C T 3< S+ 0 0 57 -4,-1.0 7,-0.1 -3,-0.5 6,-0.1 -0.308 78.7 26.4 -52.0 122.3 18.9 14.6 6.2 84 90 A G T 3 S+ 0 0 53 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.243 89.4 125.1 103.0 -14.3 15.4 15.9 6.5 85 91 A G S X S- 0 0 5 -3,-2.4 3,-1.5 1,-0.1 -1,-0.4 -0.345 76.7 -73.9 -72.7 161.6 13.5 12.7 5.6 86 92 A P T 3 S- 0 0 57 0, 0.0 54,-0.1 0, 0.0 -1,-0.1 -0.395 111.4 -10.5 -64.5 134.2 10.8 11.4 8.1 87 93 A N T 3 S+ 0 0 19 1,-0.2 80,-2.8 -2,-0.1 2,-0.6 0.631 96.7 137.3 48.0 20.0 12.3 9.8 11.2 88 94 A I B < -e 167 0B 1 -3,-1.5 -4,-0.4 78,-0.2 -1,-0.2 -0.881 62.7-105.4 -91.6 129.2 15.8 9.8 9.8 89 95 A V - 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0 0 55 -5,-0.1 -5,-1.6 -6,-0.1 -1,-0.2 -0.417 32.4-133.6 -64.0 122.5 39.9 11.3 15.1 103 109 A P E - D 0 96A 22 0, 0.0 -39,-2.2 0, 0.0 2,-0.4 -0.404 19.2-166.8 -79.7 148.5 36.5 12.2 13.4 104 110 A S E -CD 63 95A 6 -9,-2.8 -9,-2.3 -41,-0.2 2,-0.5 -0.994 10.0-148.4-133.0 134.7 33.3 12.9 15.3 105 111 A L E -CD 62 94A 0 -43,-2.7 -43,-2.5 -2,-0.4 2,-0.4 -0.878 13.3-149.6-100.5 130.9 29.8 13.1 13.9 106 112 A I E +CD 61 93A 2 -13,-2.2 -14,-3.9 -2,-0.5 -13,-1.2 -0.877 20.8 177.8-105.2 132.0 27.3 15.5 15.6 107 113 A F E -CD 60 91A 19 -47,-2.7 -47,-2.3 -2,-0.4 -16,-0.2 -0.914 37.4 -87.1-128.4 152.1 23.6 14.8 15.6 108 114 A E - 0 0 31 -18,-2.0 2,-0.5 -2,-0.3 -49,-0.2 -0.145 55.0-108.5 -37.0 149.9 20.3 16.1 16.9 109 115 A Y - 0 0 53 -51,-0.4 2,-0.4 -50,-0.1 -1,-0.1 -0.819 32.1-167.7 -94.7 127.8 19.6 14.8 20.5 110 116 A V - 0 0 15 -2,-0.5 2,-1.3 -3,-0.1 48,-0.1 -0.952 20.7-135.9-112.7 137.7 16.9 12.2 21.0 111 117 A N - 0 0 76 -2,-0.4 49,-0.3 46,-0.1 50,-0.2 -0.631 38.9-171.2 -96.2 88.0 15.8 11.5 24.4 112 118 A N - 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0 0 92 -5,-1.8 -1,-0.2 -6,-0.2 -2,-0.1 -0.790 50.6-141.7-140.8 90.9 10.6 -13.1 22.8 224 230 A E S S+ 0 0 115 -2,-0.3 2,-0.1 1,-0.2 -9,-0.0 -0.863 89.9 12.3-100.0 121.1 13.9 -11.1 22.4 225 231 A P S S- 0 0 30 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.802 79.1-158.8 -82.2 157.3 15.4 -12.0 20.1 226 232 A F S S+ 0 0 13 -12,-0.4 2,-0.7 1,-0.2 -2,-0.1 0.927 86.9 41.4 -63.6 -48.6 12.9 -14.2 18.2 227 233 A F S S- 0 0 6 -37,-0.4 2,-1.0 2,-0.0 -1,-0.2 -0.880 78.2-172.8-102.5 102.1 15.4 -16.3 16.1 228 234 A Y + 0 0 118 -2,-0.7 2,-0.3 -3,-0.2 -38,-0.0 -0.667 14.6 158.8-108.4 77.8 18.2 -17.1 18.6 229 235 A G - 0 0 1 -2,-1.0 6,-0.1 1,-0.1 -39,-0.1 -0.767 37.7-142.5 -99.6 150.0 21.2 -18.8 16.9 230 236 A H S S+ 0 0 139 -2,-0.3 2,-0.3 -41,-0.0 -1,-0.1 0.766 81.8 0.2 -78.4 -30.4 24.7 -18.9 18.3 231 237 A D S > S- 0 0 86 -42,-0.1 4,-2.9 1,-0.0 5,-0.1 -0.870 89.5 -82.1-146.8-177.4 26.5 -18.5 14.9 232 238 A N H > S+ 0 0 38 -2,-0.3 4,-1.4 2,-0.2 -1,-0.0 0.787 127.0 45.9 -63.0 -36.9 25.7 -18.1 11.2 233 239 A H H > S+ 0 0 75 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.932 115.1 48.4 -70.3 -44.9 25.1 -21.8 10.5 234 240 A D H > S+ 0 0 33 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.927 104.5 61.7 -59.8 -41.7 23.0 -22.1 13.7 235 241 A Q H X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 -1,-0.2 0.930 104.6 47.1 -53.4 -47.9 21.0 -18.9 12.6 236 242 A L H X S+ 0 0 0 -4,-1.4 4,-2.5 1,-0.2 -1,-0.2 0.858 110.6 51.8 -62.0 -38.5 19.7 -20.7 9.5 237 243 A V H X S+ 0 0 6 -4,-1.5 4,-2.3 -3,-0.3 -1,-0.2 0.868 106.5 54.1 -57.5 -42.0 18.8 -23.9 11.4 238 244 A K H X S+ 0 0 62 -4,-2.3 4,-0.6 1,-0.2 -2,-0.2 0.853 112.0 44.3 -70.4 -30.0 16.8 -21.8 13.9 239 245 A I H >X S+ 0 0 0 -4,-1.6 4,-3.3 -5,-0.2 3,-1.0 0.927 111.4 52.4 -73.2 -47.8 14.8 -20.3 10.9 240 246 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.3 -2,-0.2 0.839 103.2 60.3 -60.1 -32.5 14.3 -23.6 9.2 241 247 A K H 3< S+ 0 0 91 -4,-2.3 -1,-0.3 2,-0.2 -2,-0.2 0.790 115.8 32.2 -67.3 -26.7 12.9 -25.0 12.4 242 248 A V H << S+ 0 0 16 -3,-1.0 31,-2.5 -4,-0.6 -2,-0.2 0.878 126.4 38.0 -91.4 -48.9 10.1 -22.4 12.4 243 249 A L H < S- 0 0 11 -4,-3.3 4,-0.3 29,-0.2 29,-0.2 0.635 108.6-125.3 -78.7 -15.5 9.5 -21.9 8.6 244 250 A G < - 0 0 3 -4,-1.9 4,-0.4 27,-0.4 27,-0.3 0.166 17.2 -97.6 80.5 158.7 10.0 -25.7 7.8 245 251 A T S > S+ 0 0 5 25,-3.3 4,-2.1 1,-0.2 5,-0.2 0.622 108.9 74.5 -92.3 -20.5 12.5 -27.0 5.2 246 252 A D H > S+ 0 0 127 24,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.946 98.2 49.0 -52.4 -48.0 10.1 -27.5 2.2 247 253 A G H > S+ 0 0 32 -4,-0.3 4,-2.3 1,-0.2 -1,-0.2 0.838 108.5 55.2 -60.8 -33.7 10.1 -23.7 1.7 248 254 A L H > S+ 0 0 4 -4,-0.4 4,-3.0 2,-0.2 -1,-0.2 0.917 104.5 51.7 -64.9 -46.7 13.9 -23.6 1.9 249 255 A N H X S+ 0 0 74 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.904 110.4 48.2 -62.2 -44.2 14.3 -26.2 -0.9 250 256 A V H X S+ 0 0 94 -4,-1.9 4,-3.4 2,-0.2 5,-0.2 0.955 112.0 51.0 -60.8 -48.6 12.1 -24.3 -3.3 251 257 A Y H X S+ 0 0 5 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.960 111.1 47.4 -46.9 -60.5 14.0 -21.1 -2.5 252 258 A L H <>S+ 0 0 10 -4,-3.0 5,-3.0 1,-0.2 -1,-0.2 0.868 115.4 44.2 -50.2 -46.5 17.4 -22.7 -3.1 253 259 A N H ><5S+ 0 0 111 -4,-2.2 3,-0.9 3,-0.3 -1,-0.2 0.907 108.1 58.2 -73.2 -41.9 16.3 -24.2 -6.4 254 260 A K H 3<5S+ 0 0 106 -4,-3.4 -2,-0.2 1,-0.3 -1,-0.2 0.917 121.4 28.1 -47.9 -48.3 14.5 -21.0 -7.6 255 261 A Y T 3<5S- 0 0 41 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.329 111.5-124.4-100.5 9.1 17.8 -19.1 -7.2 256 262 A R T < 5 + 0 0 216 -3,-0.9 2,-0.5 -5,-0.2 -3,-0.3 0.923 47.3 167.4 46.0 63.3 19.9 -22.3 -7.9 257 263 A I < - 0 0 33 -5,-3.0 2,-0.5 -6,-0.1 -1,-0.2 -0.927 30.2-145.9-110.6 123.8 22.0 -22.1 -4.8 258 264 A E - 0 0 183 -2,-0.5 2,-0.1 -60,-0.0 -5,-0.0 -0.764 21.1-142.8 -77.5 125.1 24.0 -25.1 -3.8 259 265 A L - 0 0 25 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.464 27.8 -91.5 -83.4 166.8 24.1 -25.3 0.0 260 266 A D > - 0 0 92 -2,-0.1 4,-3.2 1,-0.1 5,-0.3 -0.616 29.5-123.4 -77.7 136.1 27.2 -26.3 1.8 261 267 A P H > S+ 0 0 101 0, 0.0 4,-1.8 0, 0.0 -1,-0.1 0.865 111.2 38.7 -39.5 -54.7 27.6 -30.1 2.6 262 268 A Q H > S+ 0 0 111 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.901 116.1 50.1 -71.1 -45.7 27.9 -29.5 6.4 263 269 A L H > S+ 0 0 8 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.968 110.7 51.2 -54.7 -52.6 25.3 -26.7 6.7 264 270 A E H X S+ 0 0 116 -4,-3.2 4,-2.0 1,-0.3 -2,-0.2 0.893 109.8 50.3 -51.3 -44.0 22.8 -28.9 4.8 265 271 A A H < S+ 0 0 69 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.948 111.3 48.2 -63.1 -44.5 23.6 -31.6 7.2 266 272 A L H < S+ 0 0 86 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.896 109.0 53.0 -58.0 -45.2 23.0 -29.2 10.2 267 273 A V H < S+ 0 0 6 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.915 85.1 167.9 -62.9 -44.2 19.7 -27.8 8.9 268 274 A G < - 0 0 37 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.2 -0.417 46.2 -43.7 73.7-142.7 18.2 -31.4 8.4 269 275 A R + 0 0 215 -2,-0.1 2,-0.3 -25,-0.0 -28,-0.0 -1.000 63.3 159.3-133.6 131.8 14.5 -31.8 7.7 270 276 A H - 0 0 58 -2,-0.4 -25,-3.3 -30,-0.1 -24,-0.6 -0.991 28.2-133.7-152.4 143.8 11.7 -29.9 9.5 271 277 A S - 0 0 95 -2,-0.3 -27,-0.4 -27,-0.3 2,-0.3 -0.523 43.1 -76.4 -98.1 170.5 8.1 -29.1 8.8 272 278 A R - 0 0 122 -29,-0.2 -29,-0.2 -2,-0.2 -30,-0.1 -0.451 35.2-149.6 -70.6 125.7 6.3 -25.7 9.2 273 279 A K - 0 0 73 -31,-2.5 -1,-0.0 -2,-0.3 -3,-0.0 -0.850 25.5-121.5 -92.2 121.4 5.4 -24.5 12.7 274 280 A P > - 0 0 63 0, 0.0 3,-1.8 0, 0.0 4,-0.1 -0.333 18.1-119.7 -63.4 146.3 2.3 -22.3 12.6 275 281 A W G > S+ 0 0 13 1,-0.3 3,-1.6 2,-0.1 4,-0.1 0.819 110.1 65.3 -50.4 -37.0 2.7 -18.7 14.0 276 282 A L G > S+ 0 0 99 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.671 79.7 80.0 -67.9 -17.9 0.0 -19.4 16.6 277 283 A K G < S+ 0 0 128 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.1 0.536 89.1 58.0 -63.0 -5.7 2.2 -22.0 18.3 278 284 A F G < S+ 0 0 26 -3,-1.6 -1,-0.2 -4,-0.1 2,-0.2 0.361 79.1 111.5-103.4 0.7 4.1 -19.1 19.9 279 285 A M < + 0 0 88 -3,-1.7 2,-0.3 -4,-0.1 -58,-0.1 -0.555 39.7 157.2 -75.6 142.0 1.1 -17.5 21.7 280 286 A N >> - 0 0 80 -2,-0.2 4,-1.5 1,-0.1 3,-1.3 -0.875 55.6 -79.5-148.9-175.3 1.0 -17.7 25.5 281 287 A A T 34 S+ 0 0 87 1,-0.3 3,-0.3 -2,-0.3 4,-0.3 0.918 124.5 51.4 -55.5 -54.5 -0.5 -16.0 28.6 282 288 A D T 34 S+ 0 0 103 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.574 120.8 32.4 -58.1 -12.4 2.0 -13.1 28.6 283 289 A N T X> S+ 0 0 0 -3,-1.3 3,-2.3 1,-0.1 4,-0.7 0.681 79.8 96.4-127.0 -12.0 1.4 -12.3 24.9 284 290 A Q T 3< S+ 0 0 123 -4,-1.5 -2,-0.1 -3,-0.3 -3,-0.1 0.674 79.4 67.8 -66.1 -22.2 -2.2 -13.0 23.6 285 291 A H T 34 S+ 0 0 120 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.513 109.9 37.6 -63.9 -2.9 -3.2 -9.3 24.1 286 292 A L T <4 S+ 0 0 0 -3,-2.3 2,-0.6 -66,-0.2 -2,-0.2 0.525 99.5 80.3-127.1 -16.6 -0.8 -8.4 21.3 287 293 A V < + 0 0 17 -4,-0.7 -1,-0.1 -67,-0.1 -163,-0.0 -0.887 54.5 154.8-100.4 118.5 -1.2 -11.3 19.0 288 294 A S > - 0 0 34 -2,-0.6 4,-2.0 -3,-0.1 5,-0.2 -0.857 58.8 -98.9-134.3 167.9 -4.4 -10.9 16.8 289 295 A P H > S+ 0 0 116 0, 0.0 4,-1.7 0, 0.0 28,-0.1 0.712 123.9 54.0 -66.9 -20.6 -5.1 -12.3 13.3 290 296 A E H > S+ 0 0 80 2,-0.2 4,-2.3 3,-0.1 27,-0.2 0.880 107.9 50.3 -73.5 -39.3 -4.1 -9.0 11.7 291 297 A A H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 5,-0.1 0.909 113.7 45.5 -62.1 -41.1 -0.7 -9.0 13.5 292 298 A I H X S+ 0 0 25 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.905 111.2 51.5 -73.2 -42.8 -0.1 -12.6 12.3 293 299 A D H X S+ 0 0 59 -4,-1.7 4,-1.2 2,-0.2 -2,-0.2 0.906 113.7 45.6 -59.4 -46.1 -1.2 -11.9 8.7 294 300 A F H >X S+ 0 0 0 -4,-2.3 4,-0.9 2,-0.2 3,-0.5 0.953 114.1 48.0 -57.2 -53.9 1.2 -8.9 8.6 295 301 A L H >X S+ 0 0 0 -4,-2.8 4,-2.4 1,-0.2 3,-1.0 0.892 107.9 55.6 -56.0 -45.8 4.1 -11.0 10.2 296 302 A D H 3< S+ 0 0 40 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.847 105.5 52.4 -58.4 -34.5 3.5 -13.9 7.8 297 303 A K H << S+ 0 0 70 -4,-1.2 10,-1.5 -3,-0.5 -1,-0.3 0.623 112.2 46.0 -78.8 -17.5 3.9 -11.4 4.8 298 304 A L H << S+ 0 0 0 -3,-1.0 2,-1.7 -4,-0.9 -2,-0.2 0.877 102.8 62.2 -85.0 -50.8 7.3 -10.1 6.2 299 305 A L < + 0 0 1 -4,-2.4 2,-0.4 -86,-0.1 -1,-0.2 -0.499 67.9 132.8 -87.0 79.5 9.1 -13.4 7.1 300 306 A R - 0 0 75 -2,-1.7 6,-0.2 -3,-0.2 5,-0.1 -0.973 56.3-136.3-122.4 140.3 9.4 -15.3 3.8 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.8 1,-0.1 -106,-0.3 0.931 92.4 78.7 -60.1 -43.7 12.6 -17.0 2.6 302 308 A D >> - 0 0 10 1,-0.2 3,-1.8 -3,-0.1 4,-0.8 -0.544 69.7-160.9 -72.5 109.8 12.1 -15.6 -0.8 303 309 A H T 34 S+ 0 0 3 -2,-0.8 -1,-0.2 1,-0.3 3,-0.1 0.698 89.7 62.1 -60.1 -20.9 13.1 -11.9 -0.6 304 310 A Q T 34 S+ 0 0 52 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.677 102.4 51.8 -81.8 -9.0 11.1 -11.2 -3.8 305 311 A E T <4 S+ 0 0 103 -3,-1.8 -2,-0.2 -7,-0.1 -1,-0.2 0.595 84.9 102.0-102.7 -16.4 7.9 -12.2 -1.9 306 312 A R S < S- 0 0 6 -4,-0.8 -8,-0.2 -6,-0.2 -9,-0.1 -0.295 82.3 -96.8 -59.2 147.2 8.2 -10.0 1.2 307 313 A L - 0 0 26 -10,-1.5 2,-0.2 -13,-0.2 -1,-0.1 -0.337 35.0-120.7 -55.4 144.0 6.1 -6.8 1.4 308 314 A T > - 0 0 31 1,-0.1 4,-2.3 -304,-0.0 5,-0.1 -0.469 27.4-109.8 -78.1 161.6 7.7 -3.5 0.4 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -170,-0.1 0.870 122.0 51.1 -55.5 -40.3 7.9 -0.8 3.1 310 316 A L H 4 S+ 0 0 97 2,-0.2 4,-0.5 1,-0.2 -1,-0.2 0.881 111.0 45.9 -69.4 -36.1 5.2 1.1 1.0 311 317 A E H >4 S+ 0 0 91 1,-0.2 3,-0.6 2,-0.2 -2,-0.2 0.852 110.8 55.4 -75.5 -33.9 2.9 -1.9 0.8 312 318 A A H >< S+ 0 0 0 -4,-2.3 3,-1.5 1,-0.2 6,-0.3 0.840 97.2 60.5 -66.6 -38.2 3.3 -2.6 4.6 313 319 A M T 3< S+ 0 0 28 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.753 108.2 48.6 -62.0 -21.9 2.2 0.9 5.8 314 320 A T T < S+ 0 0 89 -3,-0.6 -1,-0.3 -4,-0.5 -2,-0.2 0.406 78.1 114.7 -97.5 1.9 -1.1 0.2 4.1 315 321 A H S X S- 0 0 15 -3,-1.5 3,-1.7 -4,-0.2 -25,-0.0 -0.517 80.0-115.3 -70.0 144.8 -1.8 -3.4 5.5 316 322 A P G > S+ 0 0 66 0, 0.0 3,-1.3 0, 0.0 4,-0.3 0.453 108.5 84.3 -56.4 -19.0 -5.1 -3.0 7.8 317 323 A Y G 3 S+ 0 0 0 -27,-0.2 3,-0.3 1,-0.2 4,-0.2 0.897 97.1 41.9 -45.2 -43.9 -3.0 -4.0 10.8 318 324 A F G <> S+ 0 0 0 -3,-1.7 4,-2.2 -6,-0.3 3,-0.3 0.278 79.5 116.3 -91.5 17.9 -2.2 -0.2 10.7 319 325 A Q H <> S+ 0 0 119 -3,-1.3 4,-2.1 1,-0.2 5,-0.2 0.883 76.1 46.2 -53.9 -41.2 -5.7 1.2 10.0 320 326 A Q H > S+ 0 0 112 -3,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.856 110.7 53.7 -74.6 -32.5 -6.2 3.2 13.2 321 327 A V H > S+ 0 0 5 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.914 109.1 49.5 -59.5 -48.0 -2.7 4.7 13.1 322 328 A R H X S+ 0 0 67 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.917 111.7 49.3 -58.2 -39.5 -3.5 6.0 9.5 323 329 A A H X S+ 0 0 59 -4,-2.1 4,-0.6 1,-0.2 -1,-0.2 0.800 105.2 55.6 -77.3 -27.0 -6.9 7.4 10.7 324 330 A A H < S+ 0 0 55 -4,-1.8 3,-0.3 3,-0.2 -1,-0.2 0.915 112.0 46.9 -64.1 -38.7 -5.3 9.2 13.7 325 331 A E H < S+ 0 0 87 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.1 0.973 103.6 56.3 -67.9 -59.7 -3.0 10.9 11.1 326 332 A N H < 0 0 149 -4,-2.5 -1,-0.2 1,-0.1 -2,-0.2 0.621 360.0 360.0 -49.4 -17.4 -5.6 11.9 8.5 327 333 A S < 0 0 134 -4,-0.6 -2,-0.2 -3,-0.3 -3,-0.2 0.489 360.0 360.0-111.7 360.0 -7.2 13.7 11.4