==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-DEC-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/TRANSFERASE INHIBITOR 26-JAN-12 4DGN . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR G.LOLLI,M.MAZZORANA,R.BATTISTUTTA . 326 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15701.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 216 66.3 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 . 40 12.3 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 99 30.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 3 1 1 2 0 0 2 0 1 0 1 1 0 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 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 48 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 146.5 17.7 -11.2 -8.6 2 8 A K - 0 0 118 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.980 360.0 -85.3-154.1 150.8 16.7 -7.6 -8.5 3 9 A A - 0 0 3 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.338 26.4-145.5 -56.5 141.1 14.6 -5.2 -6.4 4 10 A R S S+ 0 0 162 2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.644 85.2 34.8 -80.5 -18.8 10.9 -5.2 -7.3 5 11 A V S S+ 0 0 56 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.950 120.8 9.7-135.3 147.7 10.6 -1.4 -6.5 6 12 A Y S > S+ 0 0 65 -2,-0.3 3,-0.7 1,-0.1 4,-0.3 0.740 73.9 141.3 57.6 34.1 13.1 1.5 -6.7 7 13 A A T 3 S+ 0 0 17 1,-0.2 4,-0.2 -4,-0.2 3,-0.2 0.796 70.1 46.1 -75.7 -27.2 15.6 -0.5 -8.8 8 14 A D T 3> S+ 0 0 86 1,-0.2 4,-2.3 2,-0.1 5,-0.3 0.341 79.1 105.4 -94.6 6.3 16.5 2.4 -11.1 9 15 A V H <> S+ 0 0 14 -3,-0.7 4,-1.2 1,-0.2 3,-0.3 0.947 89.0 35.7 -58.1 -53.1 16.9 5.1 -8.4 10 16 A N H 4 S+ 0 0 2 166,-0.5 -1,-0.2 -4,-0.3 8,-0.2 0.738 113.1 61.7 -72.4 -24.0 20.7 5.3 -8.5 11 17 A V H 4 S+ 0 0 97 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.895 109.7 39.9 -60.4 -44.2 20.6 4.7 -12.3 12 18 A L H < S+ 0 0 129 -4,-2.3 -2,-0.2 -3,-0.3 -1,-0.2 0.685 101.1 83.3 -85.1 -19.8 18.7 7.9 -12.9 13 19 A R S < S- 0 0 79 -4,-1.2 5,-0.1 -5,-0.3 0, 0.0 -0.469 91.9 -92.3 -86.4 154.8 20.4 10.2 -10.5 14 20 A P >> - 0 0 81 0, 0.0 3,-1.8 0, 0.0 4,-0.5 -0.282 37.9-111.4 -59.3 155.1 23.7 12.0 -11.2 15 21 A K H >> S+ 0 0 124 1,-0.3 4,-2.8 2,-0.2 3,-0.7 0.815 114.2 72.2 -60.2 -31.6 26.9 10.1 -10.2 16 22 A E H 34 S+ 0 0 147 1,-0.2 -1,-0.3 2,-0.2 6,-0.0 0.756 91.8 60.8 -51.7 -30.4 27.5 12.7 -7.5 17 23 A Y H <4 S+ 0 0 27 -3,-1.8 -1,-0.2 1,-0.1 -2,-0.2 0.908 120.7 15.6 -67.5 -46.4 24.5 11.2 -5.6 18 24 A W H << S+ 0 0 72 -3,-0.7 2,-2.3 -4,-0.5 -2,-0.2 0.577 97.8 94.8-109.7 -15.5 25.8 7.6 -5.1 19 25 A D >< + 0 0 37 -4,-2.8 3,-1.2 1,-0.2 4,-0.1 -0.487 46.4 166.5 -78.9 75.7 29.5 7.9 -5.8 20 26 A Y G > + 0 0 17 -2,-2.3 3,-1.0 1,-0.2 -1,-0.2 0.648 64.7 69.0 -66.4 -18.9 30.4 8.4 -2.1 21 27 A E G 3 S+ 0 0 99 1,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.788 94.4 56.6 -72.4 -24.3 34.1 7.8 -2.7 22 28 A A G < S+ 0 0 67 -3,-1.2 -1,-0.2 2,-0.1 2,-0.2 0.417 82.5 118.5 -84.5 -0.1 34.4 11.1 -4.6 23 29 A L < - 0 0 24 -3,-1.0 2,-0.5 -4,-0.1 50,-0.1 -0.485 49.5-159.6 -68.3 131.8 33.0 13.1 -1.5 24 30 A T - 0 0 110 -2,-0.2 2,-0.1 49,-0.0 -2,-0.1 -0.974 23.3-131.1-111.2 118.6 35.2 15.7 0.0 25 31 A V - 0 0 25 -2,-0.5 2,-0.8 1,-0.1 48,-0.0 -0.406 3.4-140.0 -74.8 136.2 34.0 16.4 3.6 26 32 A Q - 0 0 149 -2,-0.1 2,-0.4 69,-0.0 68,-0.3 -0.844 25.7-144.9 -94.0 108.3 33.4 20.0 4.8 27 33 A W - 0 0 89 -2,-0.8 68,-0.2 66,-0.1 3,-0.0 -0.610 11.6-156.6 -82.3 128.1 34.7 19.9 8.4 28 34 A G - 0 0 22 66,-3.5 2,-0.6 -2,-0.4 68,-0.3 0.074 39.7 -66.7 -76.5-164.1 33.0 22.0 11.0 29 35 A E > - 0 0 121 1,-0.2 3,-2.1 66,-0.1 4,-0.2 -0.846 32.7-155.6 -98.1 115.3 34.4 23.3 14.3 30 36 A Q G > S+ 0 0 73 -2,-0.6 3,-1.5 66,-0.3 -1,-0.2 0.849 93.4 60.2 -52.6 -40.2 35.2 20.6 16.9 31 37 A D G 3 S+ 0 0 132 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.443 85.0 77.1 -73.3 -4.3 34.9 23.1 19.7 32 38 A D G < S+ 0 0 39 -3,-2.1 21,-2.8 1,-0.1 2,-0.5 0.676 94.6 55.5 -72.2 -16.6 31.2 23.8 18.9 33 39 A Y E < -A 52 0A 31 -3,-1.5 2,-0.4 -4,-0.2 19,-0.2 -0.964 65.6-168.6-131.3 119.6 30.2 20.5 20.6 34 40 A E E -A 51 0A 113 17,-2.6 17,-1.7 -2,-0.5 2,-0.3 -0.912 26.2-118.6-114.2 136.5 30.9 19.3 24.1 35 41 A V E +A 50 0A 75 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.493 32.0 172.0 -69.6 127.9 30.4 15.8 25.5 36 42 A V E - 0 0 77 13,-2.8 2,-0.3 1,-0.3 14,-0.2 0.787 64.1 -17.8-103.8 -42.8 27.9 15.8 28.3 37 43 A R E -A 49 0A 123 12,-1.9 12,-3.1 0, 0.0 -1,-0.3 -0.900 63.4-109.0-169.3 137.6 27.5 12.0 29.0 38 44 A K E +A 48 0A 102 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.442 35.0 167.6 -67.2 138.5 28.1 8.7 27.2 39 45 A V E + 0 0 67 8,-2.9 2,-0.3 1,-0.3 9,-0.2 0.563 57.1 4.2-124.0 -20.6 24.9 7.0 26.1 40 46 A G E -A 47 0A 25 7,-1.9 7,-2.9 2,-0.0 -1,-0.3 -0.990 47.9-171.5-165.0 164.6 26.0 4.2 23.8 41 47 A R E +A 46 0A 185 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.987 9.8 162.2-161.4 156.2 28.8 2.2 22.1 42 48 A G - 0 0 31 3,-2.7 3,-0.3 -2,-0.3 -2,-0.0 -0.889 57.2 -69.3-160.9-168.2 29.4 -0.4 19.5 43 49 A K S S+ 0 0 157 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.806 129.1 29.5 -64.9 -30.3 32.0 -1.9 17.3 44 50 A Y S S+ 0 0 100 1,-0.1 21,-2.4 20,-0.1 2,-0.3 0.456 122.3 15.3-113.2 -5.9 32.4 1.2 15.2 45 51 A S E - B 0 64A 7 -3,-0.3 -3,-2.7 19,-0.3 2,-0.4 -0.995 50.3-134.3-160.2 163.9 31.6 4.1 17.5 46 52 A E E -AB 41 63A 63 17,-2.4 17,-3.4 -2,-0.3 2,-0.4 -0.983 28.7-151.3-122.3 142.4 31.0 5.6 20.8 47 53 A V E -AB 40 62A 32 -7,-2.9 -8,-2.9 -2,-0.4 -7,-1.9 -0.940 13.7-178.2-125.3 134.4 27.9 7.9 21.3 48 54 A F E -AB 38 61A 25 13,-2.7 13,-2.9 -2,-0.4 2,-0.4 -0.963 32.5-121.4-131.8 140.6 27.5 10.8 23.7 49 55 A E E +AB 37 60A 17 -12,-3.1 -13,-2.8 -2,-0.4 -12,-1.9 -0.717 50.4 177.5 -69.0 131.7 24.8 13.2 24.6 50 56 A G E -AB 35 59A 1 9,-3.1 9,-1.8 -2,-0.4 2,-0.4 -0.725 27.7-124.0-130.8-179.1 26.4 16.6 23.8 51 57 A I E -AB 34 58A 40 -17,-1.7 -17,-2.6 7,-0.2 2,-0.8 -1.000 14.4-135.7-132.9 129.9 25.8 20.3 23.8 52 58 A N E >> -AB 33 57A 26 5,-2.8 4,-1.5 -2,-0.4 5,-0.5 -0.801 20.6-153.8 -79.5 112.8 26.1 22.7 20.9 53 59 A V T 45S+ 0 0 53 -21,-2.8 -1,-0.1 -2,-0.8 -20,-0.1 0.612 85.5 59.5 -72.4 -14.1 27.9 25.6 22.8 54 60 A N T 45S+ 0 0 112 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.922 124.9 14.6 -73.4 -50.3 26.6 28.3 20.4 55 61 A N T 45S- 0 0 90 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.309 94.8-125.9-111.1 6.2 22.9 27.7 20.9 56 62 A N T <5 + 0 0 119 -4,-1.5 2,-0.3 1,-0.2 -3,-0.2 0.694 61.7 143.0 52.2 25.3 22.9 25.6 24.1 57 63 A E E < -B 52 0A 124 -5,-0.5 -5,-2.8 1,-0.1 -1,-0.2 -0.674 54.3-106.2 -91.3 147.0 20.8 22.9 22.3 58 64 A K E +B 51 0A 119 -2,-0.3 51,-0.5 -7,-0.2 2,-0.3 -0.313 43.9 167.9 -66.0 153.3 21.3 19.2 22.9 59 65 A C E -BC 50 108A 3 -9,-1.8 -9,-3.1 49,-0.2 2,-0.5 -0.927 33.8-111.5-152.6 175.1 23.0 17.0 20.3 60 66 A I E -BC 49 107A 26 47,-2.4 47,-2.5 -2,-0.3 2,-0.6 -0.973 20.3-157.8-116.5 132.6 24.5 13.6 19.8 61 67 A I E -BC 48 106A 8 -13,-2.9 -13,-2.7 -2,-0.5 2,-0.7 -0.966 5.7-167.1-110.7 119.3 28.2 13.2 19.3 62 68 A K E -BC 47 105A 12 43,-2.9 43,-2.6 -2,-0.6 2,-0.6 -0.925 8.0-158.4-110.4 104.2 29.1 9.9 17.5 63 69 A I E -BC 46 104A 47 -17,-3.4 -17,-2.4 -2,-0.7 2,-0.4 -0.817 14.7-137.2 -91.7 123.6 32.8 9.4 17.8 64 70 A L E -B 45 0A 11 39,-2.6 -19,-0.3 -2,-0.6 3,-0.1 -0.622 7.8-136.6 -89.9 132.5 34.0 7.0 15.1 65 71 A K - 0 0 80 -21,-2.4 -1,-0.0 -2,-0.4 -22,-0.0 -0.426 49.6 -65.7 -78.1 162.0 36.5 4.3 15.9 66 72 A P S S+ 0 0 131 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.230 75.3 141.1 -52.7 124.2 39.4 3.6 13.4 67 73 A V - 0 0 54 -3,-0.1 2,-0.1 -23,-0.0 5,-0.1 -0.951 57.4 -67.2-156.0 166.6 38.1 2.4 10.1 68 74 A K >> - 0 0 150 -2,-0.3 3,-1.1 1,-0.1 4,-1.1 -0.376 42.4-125.6 -62.2 137.9 38.8 2.8 6.4 69 75 A K H 3> S+ 0 0 141 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.821 107.5 68.1 -55.0 -35.2 38.0 6.3 5.0 70 76 A K H 3> S+ 0 0 104 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.904 100.4 47.8 -46.4 -48.6 35.7 4.7 2.4 71 77 A K H <> S+ 0 0 39 -3,-1.1 4,-2.0 2,-0.2 -1,-0.2 0.834 110.0 52.0 -67.9 -36.3 33.3 3.6 5.1 72 78 A I H X S+ 0 0 26 -4,-1.1 4,-2.6 2,-0.2 -2,-0.2 0.947 111.4 45.9 -64.5 -49.8 33.2 7.0 6.8 73 79 A K H X S+ 0 0 60 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.837 110.0 55.8 -63.4 -34.6 32.5 8.8 3.5 74 80 A R H X S+ 0 0 31 -4,-1.9 4,-2.2 -5,-0.3 5,-0.2 0.937 110.7 44.1 -61.2 -47.5 29.7 6.2 2.7 75 81 A E H X S+ 0 0 10 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.918 115.4 47.9 -66.0 -46.0 28.0 6.9 6.0 76 82 A I H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.928 112.4 49.5 -57.4 -47.0 28.3 10.7 5.6 77 83 A K H X S+ 0 0 32 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.907 112.5 46.5 -60.0 -43.9 27.1 10.6 1.9 78 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.914 112.5 50.5 -67.8 -42.4 24.0 8.5 2.8 79 85 A L H X S+ 0 0 0 -4,-2.3 4,-1.3 -5,-0.2 12,-0.3 0.917 111.7 47.2 -62.2 -44.0 23.2 10.7 5.8 80 86 A Q H < S+ 0 0 82 -4,-2.5 -1,-0.2 1,-0.2 3,-0.2 0.891 111.5 52.0 -63.1 -39.6 23.4 13.8 3.7 81 87 A N H < S+ 0 0 29 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.853 118.4 35.9 -65.7 -32.6 21.2 12.2 1.0 82 88 A L H >< S+ 0 0 0 -4,-2.0 3,-2.5 -5,-0.1 -1,-0.2 0.501 81.5 128.5-100.1 -9.2 18.5 11.3 3.5 83 89 A X T 3< S+ 0 0 69 -4,-1.3 7,-0.1 1,-0.3 6,-0.1 -0.260 78.4 22.1 -54.6 126.2 18.6 14.3 5.8 84 90 A G T 3 S+ 0 0 47 4,-0.4 -1,-0.3 1,-0.4 3,-0.1 0.162 90.8 129.3 99.1 -20.8 15.1 15.7 6.2 85 91 A G S X S- 0 0 5 -3,-2.5 3,-1.8 1,-0.2 -1,-0.4 -0.285 76.3 -73.1 -57.6 150.3 13.4 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 -0.296 111.4 -11.8 -57.0 124.9 10.6 11.2 7.5 87 93 A N T 3 S+ 0 0 20 1,-0.2 80,-2.6 -3,-0.1 2,-0.5 0.681 95.6 137.9 59.7 21.3 12.0 9.8 10.7 88 94 A I B < -e 167 0B 0 -3,-1.8 -4,-0.4 78,-0.2 -1,-0.2 -0.866 64.2-106.1 -93.4 127.5 15.7 9.7 9.4 89 95 A V - 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0 0 99 -5,-1.2 -1,-0.2 -6,-0.3 -2,-0.1 -0.876 50.6-145.7-136.7 98.1 10.4 -13.0 22.7 224 230 A E S S+ 0 0 60 -2,-0.4 2,-0.1 1,-0.2 -9,-0.1 -0.960 86.3 21.1-122.2 119.4 13.6 -10.9 22.1 225 231 A P S S- 0 0 19 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.625 81.8-160.5 -75.4 151.5 15.4 -11.8 20.0 226 232 A F S S+ 0 0 6 -12,-0.3 2,-0.7 1,-0.3 -2,-0.1 0.927 86.6 38.3 -66.3 -46.6 12.8 -13.9 18.2 227 233 A F S S- 0 0 3 -37,-0.4 2,-1.0 2,-0.1 -1,-0.3 -0.899 79.9-170.8-107.4 102.3 15.3 -16.0 16.3 228 234 A Y + 0 0 117 -2,-0.7 2,-0.3 -3,-0.2 -38,-0.0 -0.625 13.4 165.7-104.8 76.0 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 -0.688 33.0-147.7 -87.9 142.2 21.1 -18.3 17.0 230 236 A H S S+ 0 0 126 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.699 84.0 3.6 -77.7 -26.8 24.5 -18.4 18.7 231 237 A D S > S- 0 0 86 -42,-0.1 4,-2.3 -3,-0.0 5,-0.1 -0.889 91.3 -87.4-147.5 179.5 26.3 -18.2 15.3 232 238 A N H > S+ 0 0 66 -2,-0.3 4,-1.3 2,-0.2 5,-0.1 0.805 126.0 49.4 -67.7 -34.3 25.4 -17.7 11.7 233 239 A H H > S+ 0 0 61 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.961 113.0 47.4 -63.3 -52.2 24.9 -21.4 11.0 234 240 A D H > S+ 0 0 34 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.828 105.0 61.7 -55.5 -36.0 22.7 -21.7 14.1 235 241 A Q H X S+ 0 0 0 -4,-2.3 4,-1.9 2,-0.2 -1,-0.2 0.910 104.9 46.3 -59.4 -42.3 20.7 -18.6 13.0 236 242 A L H X S+ 0 0 0 -4,-1.3 4,-3.0 -3,-0.5 -1,-0.2 0.892 111.3 52.2 -69.6 -37.1 19.6 -20.4 9.9 237 243 A V H X S+ 0 0 7 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.944 108.5 51.7 -60.3 -48.9 18.7 -23.5 11.9 238 244 A K H < S+ 0 0 66 -4,-2.9 4,-0.3 2,-0.2 -2,-0.2 0.871 112.4 45.3 -57.0 -41.4 16.6 -21.3 14.2 239 245 A I H >X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 3,-2.3 0.960 111.9 51.7 -63.0 -51.7 14.8 -19.8 11.3 240 246 A A H 3X S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.3 -2,-0.2 0.812 101.7 60.8 -59.8 -34.0 14.3 -23.2 9.6 241 247 A K H 3< S+ 0 0 96 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.596 116.5 33.5 -67.2 -13.0 12.8 -24.7 12.8 242 248 A V H <4 S+ 0 0 13 -3,-2.3 31,-2.9 -4,-0.3 -2,-0.2 0.795 126.1 35.2-104.5 -57.6 10.0 -22.0 12.5 243 249 A L H < S- 0 0 14 -4,-2.5 4,-0.3 29,-0.2 29,-0.2 0.694 109.6-121.9 -72.0 -17.7 9.4 -21.5 8.8 244 250 A G X - 0 0 3 -4,-1.8 4,-0.8 -5,-0.4 27,-0.2 0.146 12.3-102.1 87.1 153.2 10.0 -25.2 7.9 245 251 A T H > S+ 0 0 5 25,-2.3 4,-3.2 2,-0.2 5,-0.2 0.740 110.9 70.9 -82.9 -26.9 12.6 -26.7 5.6 246 252 A D H > S+ 0 0 124 24,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.951 103.6 45.9 -53.0 -48.5 10.2 -27.4 2.6 247 253 A G H > S+ 0 0 28 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.878 111.1 51.9 -60.7 -41.5 10.1 -23.6 2.1 248 254 A L H X S+ 0 0 2 -4,-0.8 4,-3.0 2,-0.2 5,-0.2 0.936 108.0 52.6 -60.6 -45.4 13.9 -23.3 2.5 249 255 A N H X S+ 0 0 58 -4,-3.2 4,-2.6 2,-0.2 -2,-0.2 0.924 108.9 48.0 -59.4 -43.4 14.3 -26.0 -0.2 250 256 A V H X S+ 0 0 93 -4,-2.2 4,-2.7 1,-0.2 -1,-0.2 0.946 113.8 49.3 -61.8 -44.2 12.0 -24.2 -2.7 251 257 A Y H X S+ 0 0 4 -4,-2.2 4,-1.9 2,-0.2 -2,-0.2 0.928 110.8 47.2 -55.9 -57.9 14.0 -21.0 -2.0 252 258 A L H <>S+ 0 0 10 -4,-3.0 5,-2.4 1,-0.2 4,-0.3 0.920 113.9 49.6 -52.6 -46.3 17.4 -22.5 -2.5 253 259 A N H ><5S+ 0 0 119 -4,-2.6 3,-1.2 -5,-0.2 -2,-0.2 0.912 106.9 54.9 -61.4 -43.2 16.2 -24.2 -5.7 254 260 A K H 3<5S+ 0 0 79 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.866 116.1 35.9 -58.0 -45.0 14.8 -21.0 -7.1 255 261 A Y T 3<5S- 0 0 37 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.246 111.5-115.9 -97.1 13.3 18.1 -19.0 -6.7 256 262 A R T < 5 + 0 0 201 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.948 63.9 147.4 49.6 59.5 20.4 -22.0 -7.6 257 263 A I < - 0 0 29 -5,-2.4 2,-0.4 -6,-0.1 -1,-0.2 -0.983 30.7-166.9-122.4 131.2 22.0 -22.1 -4.1 258 264 A E - 0 0 161 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.959 22.0-124.6-114.2 144.4 23.3 -25.1 -2.3 259 265 A L - 0 0 19 -2,-0.4 -61,-0.1 1,-0.1 -60,-0.0 -0.362 33.9 -92.3 -75.1 156.9 24.3 -25.0 1.4 260 266 A D > - 0 0 80 1,-0.1 4,-3.1 -2,-0.1 3,-0.5 -0.517 40.9-116.6 -62.9 138.0 27.6 -26.1 2.8 261 267 A P H > S+ 0 0 96 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.849 117.6 50.3 -47.0 -43.3 27.4 -29.8 3.7 262 268 A Q H > S+ 0 0 117 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.893 113.3 46.2 -61.5 -42.4 27.9 -28.9 7.4 263 269 A L H > S+ 0 0 7 -3,-0.5 4,-2.3 2,-0.2 5,-0.2 0.939 112.0 49.8 -66.7 -49.7 25.2 -26.2 7.2 264 270 A E H X S+ 0 0 121 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.927 111.0 50.5 -52.9 -49.5 22.8 -28.6 5.4 265 271 A A H < S+ 0 0 78 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.896 110.8 48.9 -57.5 -42.5 23.4 -31.2 8.0 266 272 A L H < S+ 0 0 102 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.852 110.1 50.5 -67.5 -36.7 22.7 -28.8 10.9 267 273 A V H < S+ 0 0 4 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.910 83.9 164.8 -68.9 -42.2 19.5 -27.5 9.4 268 274 A G < - 0 0 40 -4,-2.2 2,-0.4 -5,-0.2 -1,-0.2 -0.354 49.9 -43.6 62.9-139.3 18.1 -31.0 8.9 269 275 A R + 0 0 186 -2,-0.0 2,-0.3 -25,-0.0 -28,-0.0 -0.997 60.9 172.7-132.8 133.9 14.4 -31.3 8.2 270 276 A H - 0 0 59 -2,-0.4 -25,-2.3 -30,-0.1 -24,-0.5 -0.997 27.7-129.1-147.2 134.8 11.6 -29.4 10.0 271 277 A S - 0 0 109 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.1 -0.465 44.5 -94.1 -75.6 153.6 7.8 -28.9 9.7 272 278 A R - 0 0 115 -29,-0.2 -29,-0.2 -2,-0.1 -1,-0.1 -0.470 32.6-140.6 -68.6 139.5 6.5 -25.4 9.6 273 279 A K - 0 0 86 -31,-2.9 5,-0.1 -2,-0.1 -1,-0.1 -0.932 21.3-126.7-101.8 112.2 5.4 -24.1 13.0 274 280 A P > - 0 0 73 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.229 21.0-115.4 -60.7 148.8 2.2 -21.9 12.7 275 281 A W G > S+ 0 0 9 1,-0.3 3,-1.8 2,-0.2 4,-0.1 0.768 109.5 66.2 -60.8 -32.7 2.4 -18.5 14.2 276 282 A L G > S+ 0 0 105 1,-0.3 3,-1.7 2,-0.2 -1,-0.3 0.694 82.7 76.9 -63.3 -20.3 -0.2 -19.0 16.9 277 283 A K G < S+ 0 0 148 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.649 89.9 58.2 -66.4 -12.0 2.1 -21.6 18.5 278 284 A F G < S+ 0 0 22 -3,-1.8 -1,-0.3 -4,-0.2 2,-0.2 0.457 81.4 108.8 -95.2 -4.0 4.1 -18.6 19.9 279 285 A M < + 0 0 85 -3,-1.7 2,-0.2 -4,-0.1 -58,-0.1 -0.531 40.2 154.9 -71.0 142.2 1.0 -17.1 21.7 280 286 A N > - 0 0 76 -2,-0.2 4,-1.1 -59,-0.0 3,-0.1 -0.836 59.2 -80.9-151.4-177.7 1.1 -17.4 25.6 281 287 A A T 4 S+ 0 0 91 -2,-0.2 4,-0.3 1,-0.2 -2,-0.0 0.813 124.8 53.3 -64.9 -31.7 -0.5 -15.5 28.5 282 288 A D T 4 S+ 0 0 89 1,-0.2 3,-0.2 2,-0.1 -1,-0.2 0.896 119.1 31.4 -68.8 -40.4 2.2 -12.8 28.4 283 289 A N T >> S+ 0 0 0 -62,-0.2 3,-1.7 1,-0.2 4,-0.9 0.411 86.6 104.0-104.1 -2.1 1.7 -11.9 24.7 284 290 A Q G >< S+ 0 0 118 -4,-1.1 3,-1.1 1,-0.3 -1,-0.2 0.865 77.2 54.6 -48.6 -51.6 -2.0 -12.6 24.2 285 291 A H G 34 S+ 0 0 101 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.1 0.602 112.5 46.8 -62.2 -12.6 -3.2 -8.9 24.2 286 292 A L G <4 S+ 0 0 2 -3,-1.7 2,-0.7 -66,-0.2 -1,-0.2 0.580 93.3 83.5-102.4 -16.3 -0.7 -8.2 21.4 287 293 A V << + 0 0 19 -3,-1.1 -1,-0.1 -4,-0.9 -163,-0.0 -0.818 52.0 154.5-100.7 114.5 -1.3 -11.1 19.1 288 294 A S > - 0 0 30 -2,-0.7 4,-2.6 1,-0.1 3,-0.3 -0.875 57.0-102.1-126.2 161.9 -4.2 -10.7 16.6 289 295 A P H > S+ 0 0 115 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 123.0 51.2 -49.1 -37.8 -5.0 -12.1 13.2 290 296 A E H > S+ 0 0 81 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.865 109.8 49.0 -70.5 -35.0 -4.0 -8.8 11.5 291 297 A A H > S+ 0 0 0 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.936 114.6 45.6 -64.2 -45.2 -0.7 -8.8 13.4 292 298 A I H X S+ 0 0 25 -4,-2.6 4,-2.9 2,-0.2 -2,-0.2 0.905 112.2 50.6 -64.5 -43.5 -0.1 -12.5 12.4 293 299 A D H X S+ 0 0 60 -4,-2.8 4,-1.2 -5,-0.2 -1,-0.2 0.924 113.2 45.7 -62.8 -42.5 -1.1 -11.8 8.8 294 300 A F H >X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 3,-0.6 0.952 113.7 49.3 -65.8 -46.0 1.3 -8.8 8.6 295 301 A L H >X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.3 3,-1.5 0.936 108.2 53.7 -57.7 -46.2 4.1 -10.8 10.2 296 302 A D H 3< S+ 0 0 35 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.805 105.2 54.5 -58.7 -31.5 3.6 -13.7 7.9 297 303 A K H << S+ 0 0 71 -4,-1.2 10,-1.8 -3,-0.6 -1,-0.3 0.622 112.8 42.6 -82.4 -14.0 4.0 -11.4 4.9 298 304 A L H << S+ 0 0 0 -3,-1.5 2,-1.8 -4,-0.8 -2,-0.2 0.837 103.2 65.5 -92.2 -46.9 7.4 -10.1 6.2 299 305 A L < + 0 0 2 -4,-2.8 2,-0.4 -86,-0.1 -1,-0.2 -0.500 68.4 133.2 -85.6 73.7 9.0 -13.4 7.3 300 306 A R - 0 0 72 -2,-1.8 6,-0.2 -3,-0.2 5,-0.1 -0.967 56.3-137.5-117.3 137.0 9.3 -15.2 3.9 301 307 A Y S S+ 0 0 14 -2,-0.4 2,-0.7 -107,-0.1 -106,-0.3 0.939 92.0 74.9 -56.2 -48.9 12.6 -16.9 2.9 302 308 A D S >> S- 0 0 9 1,-0.2 3,-1.5 -3,-0.1 4,-0.7 -0.561 72.3-157.1 -73.3 113.2 12.2 -15.5 -0.6 303 309 A H T 34 S+ 0 0 2 -2,-0.7 3,-0.5 1,-0.3 -1,-0.2 0.771 91.9 62.0 -60.9 -27.1 13.2 -11.9 -0.4 304 310 A Q T 34 S+ 0 0 51 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.704 101.0 52.8 -72.0 -21.3 11.2 -11.2 -3.6 305 311 A E T <4 S+ 0 0 102 -3,-1.5 -1,-0.2 2,-0.1 -2,-0.2 0.665 86.6 103.0 -89.0 -20.0 7.9 -12.4 -1.8 306 312 A R S < S- 0 0 5 -4,-0.7 -8,-0.2 -3,-0.5 -9,-0.1 -0.256 83.0 -98.1 -61.9 144.9 8.2 -10.0 1.2 307 313 A L - 0 0 24 -10,-1.8 -1,-0.1 -13,-0.2 2,-0.1 -0.393 35.6-122.3 -53.9 144.2 6.1 -6.9 1.4 308 314 A T > - 0 0 24 1,-0.1 4,-2.6 -3,-0.1 5,-0.1 -0.392 29.3-106.8 -74.8 162.6 7.8 -3.7 0.3 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -170,-0.2 0.885 122.1 53.4 -60.3 -41.0 7.8 -1.0 2.9 310 316 A L H > S+ 0 0 93 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.927 111.3 44.4 -62.1 -45.6 5.2 0.9 0.9 311 317 A E H >> S+ 0 0 79 1,-0.2 3,-1.2 2,-0.2 4,-0.6 0.925 109.3 58.0 -60.6 -41.5 2.8 -2.2 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.3 6,-0.2 0.899 101.1 54.8 -55.0 -42.0 3.5 -2.8 4.5 313 319 A M H 3< S+ 0 0 21 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.727 107.4 51.7 -68.1 -24.2 2.3 0.7 5.5 314 320 A T H << S+ 0 0 87 -3,-1.2 -1,-0.3 -4,-0.8 -2,-0.2 0.534 80.2 120.2 -88.9 -6.7 -1.1 -0.0 3.7 315 321 A H S X< S- 0 0 12 -3,-1.6 3,-1.8 -4,-0.6 4,-0.1 -0.253 76.5-118.2 -59.0 144.5 -1.7 -3.4 5.5 316 322 A P G > S+ 0 0 65 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.734 107.4 80.1 -60.2 -23.0 -5.0 -3.3 7.4 317 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.3 4,-0.2 0.839 98.6 41.6 -44.6 -39.2 -3.0 -3.9 10.6 318 324 A F G <> S+ 0 0 0 -3,-1.8 4,-2.7 -6,-0.2 5,-0.3 0.258 78.4 113.9 -93.2 9.9 -2.2 -0.1 10.5 319 325 A Q H <> S+ 0 0 120 -3,-2.3 4,-2.1 1,-0.2 -1,-0.2 0.862 78.4 48.8 -60.6 -32.6 -5.6 1.1 9.6 320 326 A Q H > S+ 0 0 114 -4,-0.3 4,-2.4 -3,-0.3 -1,-0.2 0.898 111.1 50.0 -69.4 -42.0 -6.1 2.9 13.0 321 327 A V H > S+ 0 0 2 -3,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.913 112.2 47.7 -60.8 -47.1 -2.7 4.6 12.8 322 328 A R H X S+ 0 0 55 -4,-2.7 4,-2.4 2,-0.2 -2,-0.2 0.908 110.7 52.3 -60.1 -42.3 -3.5 5.8 9.2 323 329 A A H < S+ 0 0 66 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.911 107.1 51.7 -63.9 -40.5 -7.0 7.1 10.3 324 330 A A H < S+ 0 0 75 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.922 112.5 47.1 -59.4 -44.6 -5.4 9.1 13.2 325 331 A E H < 0 0 94 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.848 360.0 360.0 -62.4 -39.5 -3.1 10.6 10.6 326 332 A N < 0 0 167 -4,-2.4 -3,-0.1 -5,-0.1 -2,-0.0 0.610 360.0 360.0 -85.3 360.0 -5.9 11.4 8.2