==== 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 4DGM . 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) . 15651.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 212 65.0 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 . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 12.3 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 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 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 43 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 150.1 17.9 -11.4 -8.3 2 8 A K - 0 0 128 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.985 360.0 -93.2-144.8 145.6 16.8 -7.8 -8.5 3 9 A A - 0 0 5 -2,-0.3 4,-0.2 200,-0.2 301,-0.1 -0.351 24.8-145.3 -58.4 138.8 14.6 -5.4 -6.3 4 10 A R S S+ 0 0 156 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.619 84.4 33.2 -83.0 -16.4 11.0 -5.4 -7.3 5 11 A V S S+ 0 0 56 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.986 121.3 10.2-136.3 149.0 10.7 -1.7 -6.5 6 12 A Y S > S+ 0 0 67 -2,-0.3 3,-1.1 1,-0.1 4,-0.3 0.684 73.9 139.9 64.7 23.4 13.1 1.3 -6.7 7 13 A A T 3 + 0 0 17 1,-0.2 3,-0.2 -4,-0.2 4,-0.2 0.793 69.9 48.1 -69.1 -26.5 15.6 -0.7 -8.7 8 14 A D T 3> S+ 0 0 91 1,-0.2 4,-2.1 2,-0.1 5,-0.3 0.336 78.1 106.2 -94.1 5.6 16.4 2.3 -11.0 9 15 A V H <> S+ 0 0 12 -3,-1.1 4,-1.3 1,-0.2 3,-0.3 0.947 87.0 36.1 -55.3 -58.6 17.0 5.0 -8.3 10 16 A N H 4 S+ 0 0 3 166,-0.5 -1,-0.2 -4,-0.3 8,-0.2 0.708 112.8 62.0 -68.2 -21.2 20.8 5.2 -8.5 11 17 A V H 4 S+ 0 0 96 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.912 107.8 41.0 -67.6 -45.8 20.7 4.7 -12.3 12 18 A L H < S+ 0 0 139 -4,-2.1 -2,-0.2 -3,-0.3 -1,-0.2 0.768 103.1 82.7 -74.3 -27.8 18.6 7.8 -13.0 13 19 A R S < S- 0 0 76 -4,-1.3 5,-0.1 -5,-0.3 0, 0.0 -0.434 92.7 -95.9 -83.0 151.2 20.5 10.0 -10.6 14 20 A P >> - 0 0 80 0, 0.0 3,-2.0 0, 0.0 4,-0.6 -0.302 37.6-108.4 -63.3 153.0 23.8 11.7 -11.4 15 21 A K H >> S+ 0 0 119 1,-0.3 4,-3.0 2,-0.2 3,-0.7 0.822 114.9 69.9 -52.2 -38.1 26.9 9.8 -10.3 16 22 A E H 34 S+ 0 0 135 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.792 91.5 61.9 -49.7 -32.6 27.6 12.4 -7.5 17 23 A Y H <4 S+ 0 0 29 -3,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.937 121.5 16.7 -61.4 -48.5 24.5 11.1 -5.7 18 24 A W H << S+ 0 0 73 -3,-0.7 2,-2.1 -4,-0.6 -2,-0.2 0.587 98.4 95.1-105.7 -15.5 25.9 7.5 -5.2 19 25 A D >< + 0 0 42 -4,-3.0 3,-1.3 1,-0.2 4,-0.2 -0.479 46.1 166.1 -79.8 73.5 29.6 7.9 -5.8 20 26 A Y G > + 0 0 20 -2,-2.1 3,-1.0 1,-0.3 -1,-0.2 0.656 64.6 67.1 -66.7 -21.4 30.5 8.3 -2.1 21 27 A E G 3 S+ 0 0 89 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.760 95.1 58.8 -71.2 -23.9 34.2 7.8 -2.6 22 28 A A G < S+ 0 0 67 -3,-1.3 -1,-0.2 -6,-0.1 -2,-0.2 0.479 82.6 115.9 -81.3 -5.0 34.4 11.1 -4.6 23 29 A L < - 0 0 23 -3,-1.0 2,-0.5 -4,-0.2 50,-0.1 -0.391 51.8-158.1 -63.7 139.6 33.0 13.0 -1.5 24 30 A T - 0 0 105 -2,-0.1 2,-0.3 49,-0.0 -2,-0.1 -0.993 20.1-132.0-118.5 120.2 35.2 15.6 0.1 25 31 A V - 0 0 25 -2,-0.5 2,-0.7 1,-0.0 48,-0.0 -0.524 6.6-148.7 -77.4 131.4 34.2 16.3 3.7 26 32 A Q - 0 0 155 -2,-0.3 2,-0.3 69,-0.0 68,-0.3 -0.902 24.8-142.8 -97.2 110.0 33.8 19.9 4.9 27 33 A W - 0 0 89 -2,-0.7 68,-0.2 1,-0.1 3,-0.0 -0.559 10.0-151.4 -83.1 135.6 34.8 19.8 8.6 28 34 A G - 0 0 31 66,-3.6 2,-0.7 -2,-0.3 68,-0.3 0.086 40.5 -68.2 -80.9-161.4 33.0 21.8 11.2 29 35 A E > - 0 0 102 1,-0.2 3,-1.9 66,-0.1 4,-0.3 -0.872 32.4-156.9-100.6 113.4 34.4 23.2 14.5 30 36 A Q G > S+ 0 0 64 -2,-0.7 3,-1.5 66,-0.3 -1,-0.2 0.854 92.6 63.0 -51.4 -41.6 35.2 20.4 17.0 31 37 A D G 3 S+ 0 0 119 1,-0.3 -1,-0.3 -3,-0.1 22,-0.2 0.618 84.6 74.6 -61.2 -20.2 34.9 23.0 19.8 32 38 A D G < S+ 0 0 36 -3,-1.9 21,-3.0 1,-0.1 2,-0.5 0.711 94.4 57.7 -64.1 -21.5 31.2 23.7 19.0 33 39 A Y E < -A 52 0A 32 -3,-1.5 2,-0.4 -4,-0.3 19,-0.2 -0.940 66.2-168.6-126.2 116.2 30.2 20.4 20.7 34 40 A E E -A 51 0A 115 17,-2.7 17,-1.9 -2,-0.5 2,-0.3 -0.856 25.3-118.9-108.5 137.8 30.9 19.4 24.2 35 41 A V E +A 50 0A 77 -2,-0.4 15,-0.3 15,-0.2 3,-0.1 -0.547 31.5 171.8 -72.8 126.9 30.4 15.9 25.7 36 42 A V E - 0 0 87 13,-2.8 2,-0.3 1,-0.4 14,-0.2 0.831 63.8 -22.0 -98.5 -48.4 27.9 15.7 28.5 37 43 A R E -A 49 0A 125 12,-1.6 12,-2.5 0, 0.0 -1,-0.4 -0.982 63.6-101.9-161.2 149.9 27.6 12.0 29.1 38 44 A K E +A 48 0A 104 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.535 34.7 170.2 -72.2 139.6 28.0 8.6 27.4 39 45 A V E - 0 0 63 8,-2.9 2,-0.3 1,-0.4 9,-0.2 0.542 57.2 -12.2-122.0 -19.8 24.8 7.0 26.1 40 46 A G E -A 47 0A 25 7,-1.8 7,-2.7 2,-0.0 -1,-0.4 -0.990 47.9-166.4-172.2 174.4 25.9 4.1 24.0 41 47 A R E +A 46 0A 180 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.971 6.8 171.6-170.0 160.6 28.6 2.2 22.1 42 48 A G - 0 0 30 3,-2.4 3,-0.5 -2,-0.3 -2,-0.0 -0.892 56.9 -69.1-160.8-176.2 29.1 -0.6 19.6 43 49 A K S S+ 0 0 162 -2,-0.3 3,-0.1 1,-0.2 0, 0.0 0.780 129.8 32.7 -53.9 -31.9 31.9 -2.2 17.6 44 50 A Y S S+ 0 0 113 1,-0.1 21,-2.3 20,-0.1 2,-0.3 0.499 121.3 9.7-112.1 -6.6 32.3 1.0 15.4 45 51 A S E - B 0 64A 5 -3,-0.5 -3,-2.4 19,-0.2 2,-0.4 -0.991 51.5-130.1-159.2 167.8 31.6 4.0 17.6 46 52 A E E -AB 41 63A 62 17,-2.1 17,-2.8 -2,-0.3 2,-0.4 -0.977 27.4-149.9-124.0 147.3 30.9 5.5 21.0 47 53 A V E -AB 40 62A 32 -7,-2.7 -8,-2.9 -2,-0.4 -7,-1.8 -0.941 14.6-178.9-127.8 130.8 27.9 7.8 21.4 48 54 A F E -AB 38 61A 26 13,-2.3 13,-3.0 -2,-0.4 2,-0.4 -0.977 31.8-120.4-129.5 142.0 27.5 10.7 23.8 49 55 A E E -AB 37 60A 20 -12,-2.5 -13,-2.8 -2,-0.4 -12,-1.6 -0.674 48.7-179.1 -68.3 133.6 24.8 13.2 24.6 50 56 A G E -AB 35 59A 1 9,-3.4 9,-2.1 -2,-0.4 2,-0.4 -0.755 27.1-125.8-129.2 179.0 26.4 16.6 23.9 51 57 A I E -AB 34 58A 48 -17,-1.9 -17,-2.7 7,-0.3 2,-0.8 -0.997 15.4-136.6-128.6 130.1 25.8 20.3 24.0 52 58 A N E > -A 33 0A 25 5,-2.8 4,-2.0 -2,-0.4 5,-0.3 -0.830 19.7-154.5 -78.0 112.2 26.1 22.7 21.1 53 59 A V T 4 S+ 0 0 51 -21,-3.0 -1,-0.1 -2,-0.8 -20,-0.1 0.685 85.2 59.7 -70.0 -18.2 27.9 25.6 22.9 54 60 A N T 4 S+ 0 0 107 -22,-0.4 -1,-0.2 1,-0.1 -21,-0.1 0.973 126.2 11.7 -69.0 -58.4 26.7 28.2 20.5 55 61 A N T 4 S- 0 0 80 2,-0.1 -2,-0.2 3,-0.0 -1,-0.1 0.425 95.8-127.8-102.7 -4.1 22.9 27.8 20.9 56 62 A N < + 0 0 113 -4,-2.0 2,-0.2 1,-0.2 -3,-0.2 0.619 59.4 142.8 62.9 17.9 23.1 25.5 24.0 57 63 A E - 0 0 128 -5,-0.3 -5,-2.8 1,-0.1 -1,-0.2 -0.574 54.8-102.6 -84.2 150.0 20.8 22.9 22.4 58 64 A K E +B 51 0A 119 -7,-0.2 51,-0.5 -2,-0.2 2,-0.3 -0.317 44.7 168.6 -67.8 152.2 21.4 19.2 23.0 59 65 A C E -BC 50 108A 3 -9,-2.1 -9,-3.4 49,-0.2 2,-0.4 -0.927 33.6-111.8-150.9 175.0 23.0 17.0 20.4 60 66 A I E -BC 49 107A 26 47,-2.4 47,-2.7 -2,-0.3 2,-0.6 -0.963 21.9-157.5-113.9 131.7 24.5 13.5 19.9 61 67 A I E -BC 48 106A 6 -13,-3.0 -13,-2.3 -2,-0.4 2,-0.8 -0.967 5.0-164.9-109.7 116.8 28.2 13.2 19.3 62 68 A K E -BC 47 105A 10 43,-3.3 43,-2.7 -2,-0.6 2,-0.7 -0.888 5.2-159.8-104.0 104.7 29.1 9.9 17.6 63 69 A I E -BC 46 104A 42 -17,-2.8 -17,-2.1 -2,-0.8 2,-0.3 -0.771 15.6-138.2 -89.3 117.5 32.9 9.3 17.9 64 70 A L E -B 45 0A 10 39,-2.5 -19,-0.2 -2,-0.7 3,-0.1 -0.573 7.4-133.3 -81.7 133.3 34.0 6.9 15.3 65 71 A K - 0 0 75 -21,-2.3 -1,-0.0 -2,-0.3 -22,-0.0 -0.430 61.0 -54.4 -74.2 156.7 36.5 4.1 16.1 66 72 A P S S+ 0 0 143 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.075 78.0 169.6 -44.2 115.3 39.4 3.7 13.6 67 73 A V - 0 0 47 -3,-0.1 2,-0.2 2,-0.0 -3,-0.0 -0.925 36.7-101.0-132.0 148.9 37.6 3.3 10.3 68 74 A K >> - 0 0 151 -2,-0.3 4,-1.9 1,-0.1 3,-0.8 -0.526 32.7-117.2 -73.5 139.9 38.8 3.3 6.6 69 75 A K H 3> S+ 0 0 85 1,-0.2 4,-2.4 -2,-0.2 5,-0.2 0.838 112.8 55.7 -34.8 -53.6 38.2 6.4 4.5 70 76 A K H 3> S+ 0 0 98 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.898 108.4 46.5 -52.3 -49.0 35.9 4.6 2.2 71 77 A K H <> S+ 0 0 45 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.860 111.4 49.2 -69.8 -40.6 33.5 3.5 4.9 72 78 A I H X S+ 0 0 16 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.919 111.3 51.0 -64.4 -41.4 33.3 6.9 6.7 73 79 A K H X S+ 0 0 37 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.860 107.7 54.4 -63.5 -35.1 32.5 8.6 3.4 74 80 A R H X S+ 0 0 32 -4,-1.7 4,-2.1 -5,-0.2 -1,-0.2 0.940 110.4 43.9 -62.3 -50.4 29.8 6.0 2.7 75 81 A E H X S+ 0 0 4 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.930 116.3 48.3 -61.5 -45.1 28.0 6.7 6.0 76 82 A I H X S+ 0 0 0 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.951 111.5 48.4 -60.1 -51.8 28.4 10.5 5.6 77 83 A K H X S+ 0 0 33 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.858 112.8 48.4 -55.9 -42.5 27.1 10.5 2.0 78 84 A I H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.917 111.6 49.8 -66.5 -43.9 24.1 8.4 2.9 79 85 A L H X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 12,-0.3 0.891 112.3 47.1 -61.8 -42.5 23.2 10.6 5.8 80 86 A Q H < S+ 0 0 83 -4,-2.5 -2,-0.2 2,-0.2 -1,-0.2 0.906 112.3 50.2 -64.7 -43.8 23.5 13.8 3.6 81 87 A N H < S+ 0 0 29 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.860 118.7 38.2 -61.2 -37.7 21.4 12.2 0.9 82 88 A L H >< S+ 0 0 0 -4,-2.2 3,-2.6 -5,-0.1 -1,-0.2 0.571 81.7 126.9 -93.2 -13.2 18.7 11.2 3.5 83 89 A M T 3< S+ 0 0 74 -4,-1.4 7,-0.1 1,-0.3 6,-0.1 -0.222 78.1 21.8 -49.9 126.6 18.8 14.3 5.7 84 90 A G T 3 S+ 0 0 48 1,-0.3 -1,-0.3 4,-0.3 3,-0.1 0.177 91.1 127.1 98.5 -18.1 15.2 15.6 6.0 85 91 A G S X S- 0 0 4 -3,-2.6 3,-1.8 1,-0.1 -1,-0.3 -0.337 76.2 -72.8 -69.2 156.4 13.4 12.4 5.1 86 92 A P T 3 S- 0 0 59 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.294 110.2 -12.3 -62.6 128.1 10.7 11.1 7.5 87 93 A N T 3 S+ 0 0 18 1,-0.2 80,-2.8 -3,-0.1 2,-0.5 0.601 94.9 137.7 57.0 19.2 12.1 9.7 10.8 88 94 A I B < -e 167 0B 0 -3,-1.8 -4,-0.3 78,-0.2 -1,-0.2 -0.822 64.6-107.3 -85.7 128.3 15.7 9.6 9.4 89 95 A V - 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0 0 97 -5,-1.1 -1,-0.2 -6,-0.3 -2,-0.1 -0.896 49.2-145.8-132.8 97.7 10.4 -13.1 22.7 224 230 A E S S+ 0 0 72 -2,-0.4 2,-0.1 1,-0.2 -9,-0.1 -0.948 85.6 19.7-119.8 123.6 13.5 -10.9 22.3 225 231 A P S S- 0 0 20 0, 0.0 -1,-0.2 0, 0.0 3,-0.2 0.736 82.7-159.6 -71.4 155.7 15.4 -11.8 20.1 226 232 A F S S+ 0 0 14 -12,-0.3 2,-0.7 1,-0.2 -2,-0.1 0.932 85.1 37.6 -70.2 -46.6 12.9 -13.9 18.2 227 233 A F S S- 0 0 3 -37,-0.3 2,-0.9 2,-0.0 -1,-0.2 -0.921 79.0-172.4-105.7 106.4 15.4 -16.0 16.3 228 234 A Y + 0 0 117 -2,-0.7 2,-0.3 -3,-0.2 -38,-0.0 -0.661 12.6 164.5-111.9 75.8 18.2 -16.6 18.8 229 235 A G - 0 0 0 -2,-0.9 6,-0.1 1,-0.1 -39,-0.1 -0.644 33.5-145.2 -88.4 148.9 21.1 -18.4 17.1 230 236 A H S S+ 0 0 132 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.701 83.8 4.9 -85.6 -26.8 24.6 -18.5 18.7 231 237 A D S > S- 0 0 86 -42,-0.1 4,-2.3 1,-0.0 -1,-0.1 -0.876 93.1 -86.9-143.3 179.1 26.5 -18.3 15.4 232 238 A N H > S+ 0 0 65 -2,-0.3 4,-1.2 1,-0.2 5,-0.1 0.802 126.8 49.7 -66.4 -31.5 25.5 -17.7 11.7 233 239 A H H > S+ 0 0 47 2,-0.2 4,-1.7 1,-0.2 3,-0.4 0.940 111.9 47.9 -66.5 -46.0 24.9 -21.4 11.1 234 240 A D H > S+ 0 0 37 1,-0.2 4,-2.8 2,-0.2 -2,-0.2 0.838 104.5 62.4 -63.4 -34.8 22.8 -21.7 14.2 235 241 A Q H X S+ 0 0 0 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.898 104.8 45.7 -57.5 -43.2 20.9 -18.6 13.1 236 242 A L H X S+ 0 0 0 -4,-1.2 4,-3.0 -3,-0.4 -1,-0.2 0.897 111.0 53.8 -68.7 -37.6 19.6 -20.4 10.0 237 243 A V H X S+ 0 0 16 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.949 107.2 51.2 -57.0 -48.9 18.8 -23.5 12.0 238 244 A K H < S+ 0 0 58 -4,-2.8 4,-0.3 1,-0.2 -1,-0.2 0.882 113.1 44.9 -57.3 -43.8 16.6 -21.4 14.4 239 245 A I H >X S+ 0 0 0 -4,-1.8 4,-2.8 1,-0.2 3,-2.1 0.944 111.2 52.9 -63.1 -50.9 14.8 -19.9 11.4 240 246 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.0 1,-0.3 -2,-0.2 0.823 101.9 59.9 -56.4 -35.8 14.3 -23.3 9.7 241 247 A K H 3< S+ 0 0 91 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.600 115.9 34.7 -68.7 -13.2 12.8 -24.7 12.9 242 248 A V H <4 S+ 0 0 14 -3,-2.1 31,-2.8 -4,-0.3 -2,-0.2 0.807 127.0 33.0-101.5 -57.6 10.1 -22.0 12.6 243 249 A L H < S- 0 0 17 -4,-2.8 4,-0.3 29,-0.2 -3,-0.2 0.718 109.4-121.9 -75.4 -21.2 9.5 -21.6 8.8 244 250 A G X - 0 0 3 -4,-2.0 4,-0.7 -5,-0.4 27,-0.2 0.103 11.9-102.4 91.4 152.7 10.2 -25.3 8.0 245 251 A T H > S+ 0 0 8 25,-2.4 4,-2.6 2,-0.2 5,-0.2 0.727 112.9 68.6 -84.8 -22.6 12.8 -26.8 5.7 246 252 A D H > S+ 0 0 131 24,-0.6 4,-1.7 1,-0.2 -1,-0.2 0.942 104.0 45.8 -57.6 -47.8 10.3 -27.5 2.8 247 253 A G H > S+ 0 0 31 -4,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.830 111.0 54.3 -60.1 -35.4 10.0 -23.8 2.3 248 254 A L H X S+ 0 0 3 -4,-0.7 4,-2.6 2,-0.2 -2,-0.2 0.905 105.4 52.2 -68.2 -42.5 13.8 -23.5 2.6 249 255 A N H X S+ 0 0 78 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.907 107.3 50.5 -63.4 -43.1 14.4 -26.0 -0.2 250 256 A V H X S+ 0 0 91 -4,-1.7 4,-2.5 2,-0.2 -1,-0.2 0.924 112.3 49.7 -59.4 -44.7 12.1 -24.3 -2.7 251 257 A Y H X S+ 0 0 4 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.948 110.7 47.9 -54.1 -57.2 14.0 -21.0 -2.0 252 258 A L H <>S+ 0 0 8 -4,-2.6 5,-3.1 1,-0.2 -2,-0.2 0.884 113.4 49.0 -55.1 -42.7 17.4 -22.6 -2.5 253 259 A N H ><5S+ 0 0 118 -4,-2.5 3,-1.2 3,-0.2 -1,-0.2 0.896 106.4 56.1 -64.1 -43.1 16.3 -24.2 -5.7 254 260 A K H 3<5S+ 0 0 101 -4,-2.5 -2,-0.2 1,-0.3 -1,-0.2 0.896 117.9 32.6 -57.0 -45.8 14.8 -21.0 -7.1 255 261 A Y T 3<5S- 0 0 33 -4,-1.8 -1,-0.3 -5,-0.1 -2,-0.2 0.166 111.4-120.4 -99.4 16.8 18.1 -19.1 -6.7 256 262 A R T < 5 + 0 0 216 -3,-1.2 2,-0.4 1,-0.2 -3,-0.2 0.860 57.3 156.3 44.9 52.1 20.2 -22.2 -7.5 257 263 A I < - 0 0 32 -5,-3.1 2,-0.5 -6,-0.1 -1,-0.2 -0.885 29.8-159.3-109.9 136.1 22.0 -22.2 -4.1 258 264 A E - 0 0 181 -2,-0.4 2,-0.1 -60,-0.1 -5,-0.0 -0.954 17.5-132.2-112.0 131.2 23.6 -25.1 -2.4 259 265 A L - 0 0 23 -2,-0.5 -61,-0.1 1,-0.1 -60,-0.0 -0.409 32.9 -94.4 -71.5 153.5 24.3 -25.0 1.3 260 266 A D > - 0 0 92 1,-0.1 4,-2.9 -2,-0.1 3,-0.4 -0.496 37.0-119.3 -61.7 137.5 27.6 -26.1 2.7 261 267 A P H > S+ 0 0 102 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.819 115.4 54.9 -51.7 -34.8 27.4 -29.8 3.7 262 268 A Q H > S+ 0 0 142 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.921 111.9 42.9 -62.4 -46.4 28.1 -28.8 7.4 263 269 A L H > S+ 0 0 7 -3,-0.4 4,-2.4 2,-0.2 5,-0.2 0.931 111.0 54.6 -66.8 -48.9 25.2 -26.3 7.3 264 270 A E H X S+ 0 0 117 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.897 108.8 49.5 -49.4 -46.8 22.8 -28.7 5.5 265 271 A A H < S+ 0 0 79 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.873 111.5 48.4 -64.0 -39.7 23.5 -31.3 8.2 266 272 A L H < S+ 0 0 96 -4,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.842 110.4 51.5 -67.4 -36.8 22.8 -28.8 11.1 267 273 A V H < S+ 0 0 4 -4,-2.4 -2,-0.2 1,-0.1 -1,-0.2 0.893 83.0 165.3 -70.5 -39.1 19.6 -27.6 9.4 268 274 A G < - 0 0 37 -4,-2.0 2,-0.4 -5,-0.2 -1,-0.1 -0.283 51.2 -46.6 60.0-143.1 18.2 -31.2 9.0 269 275 A R + 0 0 213 -4,-0.1 2,-0.4 -25,-0.0 -1,-0.1 -0.996 61.3 178.1-129.2 132.6 14.5 -31.4 8.3 270 276 A H - 0 0 64 -2,-0.4 -25,-2.4 -30,-0.1 -24,-0.6 -0.998 24.9-128.3-140.0 137.4 11.8 -29.4 10.1 271 277 A S - 0 0 101 -2,-0.4 2,-0.4 -27,-0.2 -27,-0.3 -0.407 42.2 -95.8 -72.1 153.9 8.1 -29.0 9.9 272 278 A R - 0 0 138 -29,-0.2 -29,-0.2 -28,-0.1 -30,-0.1 -0.619 33.3-145.4 -73.0 130.1 6.6 -25.5 9.7 273 279 A K - 0 0 78 -31,-2.8 5,-0.1 -2,-0.4 -1,-0.0 -0.891 20.3-125.8 -96.9 115.5 5.5 -24.2 13.1 274 280 A P > - 0 0 59 0, 0.0 3,-1.6 0, 0.0 4,-0.2 -0.273 18.5-117.0 -62.6 149.3 2.4 -22.0 12.8 275 281 A W G > S+ 0 0 12 1,-0.3 3,-1.9 2,-0.2 4,-0.2 0.784 109.6 67.0 -58.0 -33.9 2.6 -18.5 14.3 276 282 A L G > S+ 0 0 104 1,-0.3 3,-1.4 2,-0.2 -1,-0.3 0.705 83.8 74.8 -63.4 -21.2 -0.1 -19.2 16.9 277 283 A K G < S+ 0 0 137 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.630 91.0 57.1 -64.2 -14.3 2.2 -21.7 18.6 278 284 A F G < S+ 0 0 19 -3,-1.9 -1,-0.2 -4,-0.2 2,-0.2 0.504 84.4 109.3 -92.7 -8.2 4.2 -18.6 20.0 279 285 A M < + 0 0 76 -3,-1.4 2,-0.3 -4,-0.2 -58,-0.1 -0.493 40.5 154.4 -73.2 135.7 1.1 -17.2 21.6 280 286 A N > - 0 0 79 -2,-0.2 4,-1.4 1,-0.0 3,-0.2 -0.849 57.8 -82.5-146.8-177.9 0.9 -17.3 25.4 281 287 A A T 4 S+ 0 0 87 -2,-0.3 4,-0.3 1,-0.2 -2,-0.0 0.837 123.7 51.3 -61.2 -38.7 -0.7 -15.5 28.4 282 288 A D T 4 S+ 0 0 91 1,-0.2 -1,-0.2 2,-0.1 3,-0.2 0.837 120.3 32.3 -68.6 -35.5 1.9 -12.7 28.5 283 289 A N T >4 S+ 0 0 0 -3,-0.2 3,-2.5 -62,-0.2 4,-0.4 0.511 86.6 107.3-101.4 -6.5 1.7 -11.8 24.7 284 290 A Q G >< S+ 0 0 122 -4,-1.4 3,-0.9 1,-0.3 -1,-0.1 0.746 73.1 57.1 -43.3 -44.2 -2.0 -12.6 24.2 285 291 A H G 3 S+ 0 0 104 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.1 0.465 111.5 45.0 -73.2 0.2 -3.2 -9.0 23.9 286 292 A L G < S+ 0 0 2 -3,-2.5 -1,-0.2 -66,-0.3 -2,-0.2 0.465 91.3 79.4-117.5 -8.4 -0.8 -8.4 21.0 287 293 A V < + 0 0 7 -3,-0.9 5,-0.1 -4,-0.4 -2,-0.1 -0.104 58.0 154.5-107.6 36.8 -1.2 -11.5 18.7 288 294 A S > - 0 0 39 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 0.025 59.6 -99.2 -60.4 165.0 -4.4 -10.8 16.7 289 295 A P H > S+ 0 0 115 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.842 123.9 52.0 -56.9 -33.6 -5.1 -12.2 13.2 290 296 A E H > S+ 0 0 75 2,-0.2 4,-2.4 1,-0.2 27,-0.3 0.887 108.2 50.4 -70.5 -40.6 -4.0 -9.0 11.5 291 297 A A H > S+ 0 0 0 2,-0.2 4,-2.9 -3,-0.2 -1,-0.2 0.911 113.3 46.7 -58.2 -45.7 -0.7 -9.0 13.4 292 298 A I H X S+ 0 0 27 -4,-2.2 4,-2.9 2,-0.2 -2,-0.2 0.926 111.4 50.4 -66.6 -44.1 -0.1 -12.6 12.3 293 299 A D H X S+ 0 0 58 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.922 113.3 46.5 -59.2 -43.2 -1.1 -11.9 8.7 294 300 A F H >X S+ 0 0 0 -4,-2.4 4,-0.7 2,-0.2 3,-0.7 0.957 112.9 48.3 -63.2 -51.7 1.3 -9.0 8.6 295 301 A L H >X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.3 3,-1.5 0.921 108.1 55.7 -53.9 -44.7 4.2 -10.9 10.2 296 302 A D H 3< S+ 0 0 30 -4,-2.9 -1,-0.3 1,-0.3 -2,-0.2 0.811 104.1 54.4 -62.2 -28.9 3.7 -13.8 7.9 297 303 A K H << S+ 0 0 75 -4,-1.1 10,-1.7 -3,-0.7 -1,-0.3 0.600 113.8 41.2 -82.8 -12.1 4.1 -11.5 4.9 298 304 A L H << S+ 0 0 0 -3,-1.5 2,-2.0 -4,-0.7 -2,-0.2 0.829 103.1 65.4 -94.0 -48.4 7.4 -10.2 6.2 299 305 A L S < S+ 0 0 2 -4,-2.7 2,-0.4 -86,-0.1 -1,-0.2 -0.463 70.3 133.6 -83.2 71.5 9.0 -13.4 7.5 300 306 A R - 0 0 60 -2,-2.0 6,-0.2 -3,-0.2 5,-0.1 -0.956 57.0-138.0-116.1 135.5 9.4 -15.3 4.1 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.7 1,-0.1 -106,-0.2 0.939 91.9 76.1 -52.4 -49.1 12.6 -17.0 3.0 302 308 A D S >> S- 0 0 12 1,-0.2 3,-1.7 -3,-0.1 4,-0.7 -0.553 70.7-159.5 -74.9 111.5 12.2 -15.6 -0.5 303 309 A H T 34 S+ 0 0 2 -2,-0.7 3,-0.4 1,-0.3 -1,-0.2 0.781 91.5 59.0 -59.9 -28.4 13.2 -12.0 -0.3 304 310 A Q T 34 S+ 0 0 54 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.587 102.4 55.5 -76.2 -12.3 11.2 -11.3 -3.5 305 311 A E T <4 S+ 0 0 99 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.650 86.0 101.3 -93.7 -20.2 8.0 -12.5 -1.8 306 312 A R S < S- 0 0 5 -4,-0.7 -8,-0.2 -3,-0.4 -9,-0.1 -0.272 83.5 -96.3 -66.7 150.6 8.2 -10.1 1.2 307 313 A L - 0 0 26 -10,-1.7 2,-0.1 -13,-0.2 -1,-0.1 -0.358 36.7-124.6 -57.9 143.0 6.1 -7.0 1.5 308 314 A T > - 0 0 23 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.453 29.2-106.8 -74.6 162.2 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 0.906 122.5 53.7 -59.1 -40.9 7.8 -1.0 3.0 310 316 A L H > S+ 0 0 93 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.926 111.4 45.3 -60.0 -45.4 5.2 0.8 0.9 311 317 A E H >> S+ 0 0 80 1,-0.2 3,-1.0 2,-0.2 4,-0.6 0.911 108.4 56.3 -62.0 -44.8 2.9 -2.3 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.6 3,-1.6 1,-0.2 6,-0.2 0.907 101.4 57.2 -56.7 -39.7 3.4 -2.9 4.6 313 319 A M H 3< S+ 0 0 23 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.809 106.4 50.4 -65.0 -22.9 2.2 0.6 5.4 314 320 A T H << S+ 0 0 92 -3,-1.0 -1,-0.3 -4,-0.8 -2,-0.2 0.497 81.5 122.5 -91.9 -6.3 -1.1 -0.1 3.7 315 321 A H S X< S- 0 0 11 -3,-1.6 3,-2.1 -4,-0.6 4,-0.2 -0.277 75.0-120.3 -56.3 139.8 -1.7 -3.4 5.5 316 322 A P G > S+ 0 0 62 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.757 106.8 79.1 -57.9 -20.2 -5.0 -3.5 7.4 317 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.3 4,-0.2 0.824 99.3 41.5 -48.2 -36.1 -3.0 -4.0 10.6 318 324 A F G <> S+ 0 0 0 -3,-2.1 4,-2.6 -6,-0.2 3,-0.3 0.270 77.9 114.2 -99.8 8.6 -2.2 -0.3 10.6 319 325 A Q H <> S+ 0 0 123 -3,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.846 78.4 49.4 -53.1 -39.3 -5.7 1.0 9.6 320 326 A Q H > S+ 0 0 122 -3,-0.3 4,-2.2 -4,-0.3 -1,-0.2 0.906 110.7 50.6 -67.4 -41.5 -6.2 2.8 12.9 321 327 A V H > S+ 0 0 3 -3,-0.3 4,-1.7 2,-0.2 -2,-0.2 0.939 112.7 46.3 -59.6 -47.2 -2.8 4.5 12.7 322 328 A R H X S+ 0 0 57 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.908 110.7 53.0 -59.9 -43.0 -3.5 5.7 9.1 323 329 A A H < S+ 0 0 64 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.894 107.7 50.8 -64.6 -40.5 -7.0 6.9 10.2 324 330 A A H < S+ 0 0 73 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.876 112.5 46.7 -61.2 -39.4 -5.5 9.0 13.0 325 331 A E H < 0 0 98 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.874 360.0 360.0 -72.2 -41.7 -3.0 10.5 10.6 326 332 A N < 0 0 164 -4,-2.8 -3,-0.1 -5,-0.1 -2,-0.1 0.737 360.0 360.0 -75.4 360.0 -5.8 11.2 8.1