==== 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 4DGO . COMPND 2 MOLECULE: CASEIN KINASE II SUBUNIT ALPHA; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR G.LOLLI,M.MAZZORANA,R.BATTISTUTTA . 325 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 64.0 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 . 38 11.7 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 6.8 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 . 96 29.5 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 1 1 0 0 2 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 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 44 0, 0.0 178,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.6 17.8 -11.7 -8.0 2 8 A K - 0 0 124 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.992 360.0 -87.3-152.4 147.3 16.9 -8.0 -8.2 3 9 A A - 0 0 5 -2,-0.3 4,-0.2 200,-0.1 301,-0.1 -0.278 23.5-150.7 -55.8 137.2 14.8 -5.5 -6.3 4 10 A R S S+ 0 0 163 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.679 83.5 36.4 -83.9 -23.2 11.1 -5.4 -7.3 5 11 A V S S+ 0 0 53 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.947 122.0 6.3-125.3 155.6 10.9 -1.7 -6.3 6 12 A Y S > S+ 0 0 69 -2,-0.3 3,-0.9 1,-0.1 4,-0.3 0.686 75.5 142.7 52.9 29.2 13.3 1.3 -6.6 7 13 A A T 3 + 0 0 8 1,-0.2 4,-0.2 -4,-0.2 3,-0.2 0.731 69.7 42.6 -68.4 -25.8 15.8 -0.8 -8.6 8 14 A D T 3> S+ 0 0 91 1,-0.1 4,-2.0 2,-0.1 -1,-0.2 0.265 78.3 105.6-110.2 9.8 16.8 2.0 -10.8 9 15 A V H <> S+ 0 0 22 -3,-0.9 4,-0.6 1,-0.2 -1,-0.1 0.924 88.2 39.3 -60.5 -45.6 17.1 4.9 -8.4 10 16 A N H 4 S+ 0 0 1 166,-0.4 -1,-0.2 -4,-0.3 8,-0.2 0.756 112.0 58.0 -77.2 -25.6 21.0 5.0 -8.4 11 17 A V H 4 S+ 0 0 96 1,-0.2 -1,-0.2 -4,-0.2 -2,-0.2 0.904 110.0 43.5 -64.3 -43.3 21.2 4.3 -12.2 12 18 A L H < S+ 0 0 146 -4,-2.0 -1,-0.2 2,-0.1 -2,-0.2 0.558 101.4 81.8 -85.4 -10.7 19.2 7.4 -13.0 13 19 A R S < S- 0 0 83 -4,-0.6 5,-0.1 -5,-0.2 -3,-0.0 -0.579 93.3 -90.6 -94.8 158.3 20.9 9.7 -10.6 14 20 A P >> - 0 0 73 0, 0.0 3,-1.6 0, 0.0 4,-0.7 -0.322 39.4-109.3 -67.9 155.5 24.2 11.4 -11.3 15 21 A K H >> S+ 0 0 119 1,-0.3 4,-2.0 2,-0.2 3,-1.0 0.859 114.2 64.9 -52.8 -41.7 27.4 9.6 -10.2 16 22 A E H 34 S+ 0 0 133 1,-0.3 -1,-0.3 2,-0.2 6,-0.1 0.776 91.8 65.7 -56.5 -28.5 28.1 12.0 -7.3 17 23 A Y H <4 S+ 0 0 27 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.925 120.3 18.2 -57.2 -46.7 24.9 10.9 -5.6 18 24 A W H << S+ 0 0 72 -3,-1.0 2,-1.8 -4,-0.7 -2,-0.2 0.470 98.1 98.2-107.9 -3.2 26.2 7.3 -5.0 19 25 A D >< + 0 0 41 -4,-2.0 3,-1.6 1,-0.2 4,-0.2 -0.470 43.3 163.6 -85.1 67.9 30.0 7.9 -5.5 20 26 A Y G > + 0 0 23 -2,-1.8 3,-1.1 1,-0.3 -1,-0.2 0.699 65.5 65.1 -63.7 -23.2 30.8 8.1 -1.8 21 27 A E G 3 S+ 0 0 106 1,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.753 98.4 56.8 -69.6 -23.0 34.5 7.5 -2.1 22 28 A A G < S+ 0 0 63 -3,-1.6 -1,-0.2 -6,-0.1 -2,-0.2 0.408 80.5 124.0 -87.3 -0.7 34.7 10.8 -4.0 23 29 A L < - 0 0 26 -3,-1.1 2,-0.5 -4,-0.2 50,-0.1 -0.378 47.9-157.4 -61.6 135.7 33.2 12.7 -1.1 24 30 A T - 0 0 109 -2,-0.1 2,-0.3 49,-0.0 -2,-0.1 -0.980 16.8-138.1-114.5 116.9 35.2 15.6 0.2 25 31 A V - 0 0 17 -2,-0.5 2,-0.8 1,-0.0 48,-0.0 -0.577 4.0-149.1 -82.5 129.2 34.3 16.5 3.9 26 32 A Q - 0 0 156 -2,-0.3 68,-0.3 69,-0.0 2,-0.3 -0.868 25.8-140.4 -94.0 108.9 33.9 20.1 5.0 27 33 A W - 0 0 76 -2,-0.8 68,-0.2 1,-0.1 3,-0.0 -0.516 13.4-157.4 -80.2 133.0 34.9 20.0 8.7 28 34 A G - 0 0 33 66,-3.3 2,-0.6 -2,-0.3 68,-0.3 0.099 41.4 -65.0 -81.7-157.8 33.1 22.0 11.3 29 35 A E > - 0 0 97 1,-0.1 3,-1.9 66,-0.1 4,-0.3 -0.875 29.6-155.5-105.2 116.4 34.5 23.2 14.7 30 36 A Q G > S+ 0 0 64 -2,-0.6 3,-1.1 66,-0.3 -1,-0.1 0.827 94.4 61.3 -51.7 -36.7 35.3 20.4 17.3 31 37 A D G 3 S+ 0 0 114 1,-0.2 -1,-0.3 -3,-0.1 22,-0.2 0.555 84.1 75.2 -69.6 -16.0 34.8 23.1 20.0 32 38 A D G < S+ 0 0 37 -3,-1.9 21,-2.8 1,-0.1 2,-0.5 0.724 95.9 55.3 -67.9 -20.8 31.2 23.7 19.2 33 39 A Y E < -A 52 0A 28 -3,-1.1 2,-0.4 -4,-0.3 19,-0.2 -0.955 65.8-171.8-126.2 124.3 30.2 20.4 20.8 34 40 A E E -A 51 0A 110 17,-2.3 17,-1.9 -2,-0.5 2,-0.4 -0.949 27.6-116.0-118.4 139.0 31.0 19.3 24.4 35 41 A V E +A 50 0A 77 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.571 31.8 172.0 -74.2 125.2 30.4 15.8 25.8 36 42 A V E - 0 0 82 13,-2.9 2,-0.3 -2,-0.4 14,-0.2 0.856 64.5 -21.8 -94.6 -58.9 27.9 15.8 28.7 37 43 A R E -A 49 0A 127 12,-1.5 12,-3.3 0, 0.0 -1,-0.3 -0.995 64.1-100.2-151.8 158.7 27.5 11.9 29.2 38 44 A K E +A 48 0A 98 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.589 35.3 170.0 -76.7 136.0 28.0 8.6 27.5 39 45 A V E - 0 0 60 8,-2.7 2,-0.3 1,-0.4 9,-0.2 0.557 57.5 -12.9-120.9 -18.8 24.8 7.1 26.2 40 46 A G E -A 47 0A 26 7,-1.9 7,-2.9 2,-0.0 -1,-0.4 -0.991 48.8-162.2-174.6 171.0 25.8 4.2 24.1 41 47 A R E +A 46 0A 181 -2,-0.3 2,-0.3 5,-0.3 5,-0.2 -0.981 7.7 173.9-161.3 159.5 28.5 2.3 22.3 42 48 A G - 0 0 31 3,-2.5 3,-0.3 -2,-0.3 -2,-0.0 -0.921 53.8 -74.7-156.5-174.6 29.1 -0.3 19.7 43 49 A K S S+ 0 0 165 -2,-0.3 3,-0.1 1,-0.2 -1,-0.0 0.802 128.5 29.3 -57.2 -32.7 31.8 -2.1 17.7 44 50 A Y S S+ 0 0 107 1,-0.1 21,-2.6 20,-0.1 2,-0.3 0.480 122.6 19.4-113.8 -6.6 32.4 1.0 15.6 45 51 A S E - B 0 64A 6 -3,-0.3 -3,-2.5 19,-0.3 2,-0.4 -0.982 52.9-135.8-154.8 162.8 31.5 4.0 17.7 46 52 A E E -AB 41 63A 65 17,-2.2 17,-2.0 -2,-0.3 2,-0.4 -0.949 27.1-151.5-117.3 148.4 30.9 5.5 21.1 47 53 A V E -AB 40 62A 28 -7,-2.9 -8,-2.7 -2,-0.4 -7,-1.9 -0.980 13.2-175.7-130.4 131.9 27.9 7.8 21.5 48 54 A F E -AB 38 61A 28 13,-2.4 13,-2.6 -2,-0.4 2,-0.4 -0.948 31.2-119.1-129.1 141.0 27.5 10.7 23.9 49 55 A E E -AB 37 60A 22 -12,-3.3 -13,-2.9 -2,-0.4 -12,-1.5 -0.699 50.4-179.1 -70.7 128.6 24.8 13.2 24.9 50 56 A G E -AB 35 59A 0 9,-3.3 9,-1.8 -2,-0.4 2,-0.4 -0.686 27.3-130.0-125.6 178.5 26.3 16.5 24.1 51 57 A I E -AB 34 58A 44 -17,-1.9 -17,-2.3 7,-0.3 2,-0.8 -1.000 15.4-136.0-133.5 132.2 25.7 20.2 24.2 52 58 A N E > -A 33 0A 23 5,-2.7 4,-1.8 -2,-0.4 5,-0.5 -0.823 19.0-153.4 -82.7 110.0 26.1 22.7 21.3 53 59 A V T 4 S+ 0 0 49 -21,-2.8 -1,-0.1 -2,-0.8 -20,-0.1 0.729 85.0 60.9 -65.3 -23.0 27.8 25.6 23.1 54 60 A N T 4 S+ 0 0 109 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.975 126.0 9.5 -66.1 -56.8 26.5 28.2 20.7 55 61 A N T 4 S- 0 0 89 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.2 0.293 95.7-123.2-109.8 4.1 22.8 27.8 21.2 56 62 A N < + 0 0 113 -4,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.696 59.8 148.9 55.6 24.5 22.9 25.5 24.3 57 63 A E - 0 0 124 -5,-0.5 -5,-2.7 1,-0.1 -1,-0.2 -0.662 51.8-109.4 -82.2 140.1 20.8 22.8 22.4 58 64 A K E +B 51 0A 127 -2,-0.3 51,-0.5 -7,-0.2 2,-0.3 -0.320 44.2 172.4 -62.3 150.8 21.4 19.2 23.2 59 65 A C E -B 50 0A 3 -9,-1.8 -9,-3.3 49,-0.2 2,-0.5 -0.927 33.1-112.0-146.7 171.6 23.0 17.1 20.5 60 66 A I E -BC 49 107A 25 47,-2.3 47,-2.2 -2,-0.3 2,-0.6 -0.962 22.6-158.5-106.8 132.5 24.5 13.6 20.0 61 67 A I E -BC 48 106A 7 -13,-2.6 -13,-2.4 -2,-0.5 2,-0.7 -0.961 6.4-167.1-107.8 119.4 28.2 13.3 19.5 62 68 A K E -BC 47 105A 10 43,-3.2 43,-2.5 -2,-0.6 2,-0.5 -0.904 3.2-162.8-110.5 105.8 29.2 10.1 17.7 63 69 A I E -BC 46 104A 52 -17,-2.0 -17,-2.2 -2,-0.7 2,-0.4 -0.777 16.1-137.4 -91.6 122.8 32.9 9.4 17.9 64 70 A L E -B 45 0A 11 39,-2.4 -19,-0.3 -2,-0.5 3,-0.1 -0.663 9.6-130.5 -89.0 132.6 34.0 6.9 15.4 65 71 A K - 0 0 79 -21,-2.6 2,-0.2 -2,-0.4 -1,-0.0 -0.396 52.6 -67.3 -72.0 155.6 36.5 4.1 16.3 66 72 A P S S+ 0 0 134 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.254 76.5 150.1 -52.0 112.0 39.5 3.6 13.9 67 73 A V - 0 0 42 -2,-0.2 2,-0.1 -3,-0.1 5,-0.0 -0.895 54.1 -76.1-138.5 161.3 38.0 2.3 10.7 68 74 A K >> - 0 0 123 -2,-0.3 3,-1.2 1,-0.1 4,-0.9 -0.401 44.1-116.3 -63.1 138.9 39.0 2.6 7.0 69 75 A K H 3> S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.753 109.9 67.1 -45.5 -33.5 38.2 6.0 5.4 70 76 A K H 3> S+ 0 0 91 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.894 97.6 49.0 -55.8 -50.4 35.8 4.3 3.0 71 77 A K H <> S+ 0 0 27 -3,-1.2 4,-1.9 2,-0.2 -1,-0.2 0.763 111.2 50.2 -68.1 -29.2 33.2 3.3 5.6 72 78 A I H X S+ 0 0 10 -4,-0.9 4,-2.2 2,-0.2 -1,-0.2 0.892 111.6 47.2 -77.8 -37.7 33.2 6.8 7.2 73 79 A K H X S+ 0 0 46 -4,-2.2 4,-2.9 2,-0.2 5,-0.2 0.898 111.4 53.4 -65.6 -37.8 32.6 8.5 3.8 74 80 A R H X S+ 0 0 32 -4,-2.3 4,-2.2 2,-0.2 5,-0.2 0.956 110.1 45.4 -60.9 -53.2 29.9 6.0 3.1 75 81 A E H X S+ 0 0 8 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.903 115.7 47.1 -56.5 -47.0 28.0 6.7 6.3 76 82 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.943 111.4 49.8 -60.5 -50.3 28.4 10.5 5.8 77 83 A K H X S+ 0 0 34 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.907 113.1 47.4 -57.8 -41.9 27.2 10.5 2.2 78 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.942 110.7 50.5 -66.6 -45.8 24.2 8.4 3.1 79 85 A L H X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 12,-0.3 0.867 111.8 48.6 -61.4 -39.5 23.2 10.6 6.0 80 86 A Q H < S+ 0 0 88 -4,-2.4 -1,-0.2 2,-0.2 -2,-0.2 0.889 110.0 51.5 -64.9 -43.7 23.5 13.7 3.8 81 87 A N H < S+ 0 0 26 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.857 117.7 38.8 -60.1 -37.0 21.4 12.1 1.0 82 88 A L H >< S+ 0 0 0 -4,-2.1 3,-2.7 -5,-0.1 -1,-0.2 0.603 81.2 125.5 -91.9 -16.6 18.6 11.2 3.5 83 89 A C T 3< S+ 0 0 61 -4,-1.3 7,-0.1 1,-0.3 6,-0.1 -0.188 78.4 25.9 -49.9 130.3 18.7 14.3 5.8 84 90 A G T 3 S+ 0 0 58 1,-0.4 -1,-0.3 4,-0.3 3,-0.1 -0.046 91.0 128.1 99.4 -31.5 15.1 15.7 5.8 85 91 A G S X S- 0 0 5 -3,-2.7 3,-1.8 1,-0.1 -1,-0.4 -0.212 75.5 -79.5 -55.8 148.4 13.4 12.3 5.1 86 92 A P T 3 S- 0 0 56 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.272 109.0 -9.3 -59.0 133.1 10.7 11.3 7.5 87 93 A N T 3 S+ 0 0 20 1,-0.2 80,-2.7 -3,-0.1 2,-0.5 0.654 96.0 137.7 51.2 22.7 12.0 9.8 10.8 88 94 A I B < -e 167 0B 1 -3,-1.8 -4,-0.3 78,-0.2 -1,-0.2 -0.847 64.0-107.2 -92.2 131.6 15.7 9.7 9.5 89 95 A V - 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0 0 54 -5,-0.1 -5,-1.6 1,-0.1 -1,-0.2 -0.647 33.8-129.9 -73.8 123.7 39.5 11.0 14.9 103 109 A P E - D 0 96A 21 0, 0.0 -39,-2.4 0, 0.0 2,-0.4 -0.425 20.8-164.7 -81.2 148.2 36.1 12.1 13.4 104 110 A S E -CD 63 95A 4 -9,-3.1 -9,-2.3 -41,-0.2 2,-0.5 -0.990 9.8-147.6-127.4 141.0 32.8 12.8 15.2 105 111 A L E -CD 62 94A 1 -43,-2.5 -43,-3.2 -2,-0.4 2,-0.4 -0.919 13.6-149.4-106.8 134.4 29.4 13.0 13.7 106 112 A I E +CD 61 93A 0 -13,-2.6 -14,-2.7 -2,-0.5 -13,-1.4 -0.889 22.4 172.8-106.4 130.9 27.0 15.4 15.3 107 113 A F E -CD 60 91A 10 -47,-2.2 -47,-2.3 -2,-0.4 -16,-0.2 -0.859 40.0 -83.9-129.1 164.4 23.2 14.7 15.3 108 114 A E - 0 0 31 -18,-1.4 2,-0.5 -2,-0.3 -49,-0.2 -0.259 54.7-111.9 -49.9 154.7 20.0 15.9 16.7 109 115 A Y - 0 0 42 -51,-0.5 2,-0.5 -50,-0.1 -51,-0.1 -0.881 26.8-165.2-101.2 129.0 19.3 14.5 20.2 110 116 A V - 0 0 12 -2,-0.5 2,-1.9 48,-0.0 48,-0.1 -0.963 20.3-138.4-107.9 128.8 16.6 12.0 20.9 111 117 A N - 0 0 90 -2,-0.5 49,-0.3 46,-0.1 -2,-0.0 -0.556 40.4-171.0 -82.2 72.6 15.6 11.5 24.5 112 118 A N - 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0 0 41 -4,-2.1 2,-0.4 -5,-0.2 -1,-0.2 -0.397 50.2 -34.6 67.6-133.5 17.8 -31.2 9.4 269 275 A R + 0 0 138 -2,-0.1 2,-0.3 -4,-0.1 -1,-0.1 -0.986 63.6 159.6-137.2 117.3 14.0 -31.6 8.9 270 276 A H - 0 0 59 -2,-0.4 -25,-3.5 -30,-0.1 -24,-0.6 -1.000 29.6-133.5-141.8 138.4 11.3 -29.5 10.5 271 277 A S - 0 0 99 -2,-0.3 -27,-0.3 -27,-0.2 2,-0.1 -0.475 44.0 -83.3 -84.0 161.5 7.6 -28.8 9.8 272 278 A R - 0 0 134 -29,-0.2 -29,-0.2 -2,-0.1 -1,-0.1 -0.378 37.0-144.4 -62.9 139.1 6.2 -25.3 9.8 273 279 A K - 0 0 85 -31,-3.0 -1,-0.1 -2,-0.1 -29,-0.0 -0.950 21.7-123.9-108.2 114.3 5.1 -24.0 13.3 274 280 A P > - 0 0 57 0, 0.0 3,-1.9 0, 0.0 4,-0.1 -0.258 18.6-118.5 -61.9 146.5 2.0 -21.8 13.1 275 281 A W G > S+ 0 0 12 1,-0.3 3,-1.5 2,-0.2 4,-0.1 0.737 108.3 66.9 -57.1 -30.4 2.3 -18.3 14.6 276 282 A L G > S+ 0 0 107 1,-0.3 3,-1.5 2,-0.2 -1,-0.3 0.665 82.3 76.3 -67.6 -18.4 -0.4 -18.9 17.2 277 283 A K G < S+ 0 0 140 -3,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.491 91.0 57.8 -69.5 -3.5 1.9 -21.4 18.9 278 284 A F G < S+ 0 0 22 -3,-1.5 2,-0.3 -4,-0.1 -1,-0.2 0.410 83.7 106.0-102.6 -2.9 3.8 -18.4 20.2 279 285 A M < + 0 0 85 -3,-1.5 2,-0.3 -4,-0.1 -58,-0.1 -0.574 40.7 159.3 -78.7 139.4 0.8 -16.9 22.0 280 286 A N > - 0 0 76 -2,-0.3 4,-2.2 -59,-0.0 3,-0.2 -0.906 57.4 -86.7-145.9 173.0 0.6 -17.0 25.7 281 287 A A T 4 S+ 0 0 88 -2,-0.3 4,-0.3 1,-0.2 -2,-0.0 0.815 124.8 54.7 -53.3 -34.3 -1.3 -15.1 28.5 282 288 A D T 4 S+ 0 0 84 1,-0.2 3,-0.3 2,-0.1 -1,-0.2 0.944 120.8 26.6 -67.0 -48.1 1.5 -12.5 28.6 283 289 A N T >4 S+ 0 0 0 -3,-0.2 3,-2.3 -62,-0.2 4,-0.2 0.507 90.7 105.1 -95.7 -9.9 1.5 -11.6 24.9 284 290 A Q G >< S+ 0 0 114 -4,-2.2 3,-1.8 1,-0.3 -1,-0.2 0.804 72.5 60.1 -35.7 -51.8 -2.2 -12.5 24.1 285 291 A H G 3 S+ 0 0 108 -4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.483 108.5 45.3 -66.2 -2.8 -3.5 -8.8 23.9 286 292 A L G < S+ 0 0 0 -3,-2.3 -1,-0.3 -66,-0.3 -2,-0.2 0.305 91.6 83.3-120.4 5.9 -1.1 -8.1 21.1 287 293 A V < + 0 0 10 -3,-1.8 -1,-0.1 -4,-0.2 -2,-0.1 -0.306 55.0 154.8-117.5 51.1 -1.5 -11.1 18.8 288 294 A S > - 0 0 36 -2,-0.1 4,-2.3 -3,-0.1 5,-0.2 -0.178 59.3 -99.3 -68.6 162.1 -4.6 -10.3 16.7 289 295 A P H > S+ 0 0 113 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.830 123.5 52.1 -50.0 -36.5 -5.3 -11.9 13.2 290 296 A E H > S+ 0 0 71 2,-0.2 4,-3.0 1,-0.2 27,-0.2 0.899 108.0 50.1 -73.1 -40.5 -4.1 -8.7 11.4 291 297 A A H > S+ 0 0 0 2,-0.2 4,-3.2 1,-0.2 5,-0.2 0.950 114.5 45.2 -54.9 -51.7 -0.8 -8.7 13.4 292 298 A I H X S+ 0 0 28 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.921 113.5 49.4 -60.5 -46.2 -0.3 -12.4 12.5 293 299 A D H X S+ 0 0 58 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.920 113.5 46.7 -61.8 -43.3 -1.2 -11.7 8.9 294 300 A F H X S+ 0 0 0 -4,-3.0 4,-0.7 2,-0.2 3,-0.5 0.955 113.7 47.4 -62.0 -49.0 1.2 -8.8 8.7 295 301 A L H >X S+ 0 0 0 -4,-3.2 4,-2.8 1,-0.2 3,-1.6 0.925 108.3 55.4 -58.1 -46.8 4.0 -10.7 10.3 296 302 A D H 3< S+ 0 0 32 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 105.2 53.9 -54.3 -34.6 3.5 -13.7 8.1 297 303 A K H 3< S+ 0 0 66 -4,-1.3 10,-1.6 -3,-0.5 -1,-0.3 0.614 113.4 41.8 -80.7 -14.9 3.9 -11.4 5.1 298 304 A L H << S+ 0 0 0 -3,-1.6 2,-1.9 -4,-0.7 -2,-0.2 0.830 103.1 65.3 -93.6 -46.8 7.3 -10.1 6.3 299 305 A L < + 0 0 2 -4,-2.8 2,-0.4 -86,-0.1 -1,-0.2 -0.483 69.2 135.0 -86.0 76.8 8.9 -13.3 7.6 300 306 A R - 0 0 70 -2,-1.9 6,-0.2 -3,-0.2 5,-0.1 -0.982 56.6-137.8-121.3 131.1 9.3 -15.2 4.2 301 307 A Y S S+ 0 0 15 -2,-0.4 2,-0.8 1,-0.1 -106,-0.2 0.926 93.5 75.4 -46.6 -50.6 12.4 -17.0 3.2 302 308 A D >> - 0 0 9 1,-0.2 3,-1.7 -3,-0.1 4,-0.7 -0.554 69.7-161.9 -72.5 105.6 12.0 -15.6 -0.3 303 309 A H T 34 S+ 0 0 2 -2,-0.8 3,-0.3 1,-0.3 -1,-0.2 0.761 90.1 62.2 -58.9 -24.8 13.0 -12.0 -0.0 304 310 A Q T 34 S+ 0 0 52 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.718 102.1 51.2 -72.5 -20.8 11.2 -11.4 -3.3 305 311 A E T <4 S+ 0 0 105 -3,-1.7 -1,-0.2 -5,-0.1 -2,-0.2 0.587 87.3 102.4 -91.0 -17.7 7.8 -12.4 -1.6 306 312 A R S < S- 0 0 5 -4,-0.7 -8,-0.2 -3,-0.3 -9,-0.1 -0.321 83.4 -94.1 -68.6 153.0 8.1 -10.1 1.4 307 313 A L - 0 0 25 -10,-1.6 2,-0.2 -13,-0.2 -1,-0.1 -0.330 35.5-125.1 -58.2 142.6 6.1 -6.9 1.6 308 314 A T > - 0 0 24 1,-0.1 4,-2.4 -3,-0.1 5,-0.1 -0.476 30.2-106.7 -75.5 163.5 7.8 -3.8 0.4 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -170,-0.2 0.870 121.8 54.1 -60.1 -37.7 7.8 -0.9 3.0 310 316 A L H > S+ 0 0 94 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.915 110.9 43.9 -65.4 -42.8 5.2 0.9 0.9 311 317 A E H >4 S+ 0 0 83 1,-0.2 3,-0.9 2,-0.2 4,-0.4 0.886 109.1 58.4 -67.1 -40.5 2.8 -2.1 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.4 3,-1.6 1,-0.3 6,-0.2 0.892 99.7 57.4 -56.6 -41.2 3.4 -2.8 4.6 313 319 A M H 3< S+ 0 0 24 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.777 106.6 49.8 -63.0 -25.4 2.2 0.8 5.5 314 320 A T T << S+ 0 0 91 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.432 79.8 121.3 -95.9 2.6 -1.1 0.1 3.8 315 321 A H S X S- 0 0 13 -3,-1.6 3,-2.2 -4,-0.4 4,-0.1 -0.397 75.9-117.2 -60.8 142.7 -1.8 -3.3 5.5 316 322 A P G > S+ 0 0 57 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.691 109.3 77.6 -56.5 -24.3 -5.1 -3.2 7.5 317 323 A Y G 3 S+ 0 0 0 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.833 98.8 44.1 -50.6 -34.5 -3.1 -3.7 10.7 318 324 A F G X> S+ 0 0 0 -3,-2.2 4,-2.4 -6,-0.2 3,-0.7 0.384 80.0 111.2 -93.3 8.7 -2.2 -0.0 10.4 319 325 A Q H <> S+ 0 0 114 -3,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.857 78.2 47.6 -57.9 -42.7 -5.7 1.3 9.6 320 326 A Q H 3> S+ 0 0 118 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.3 0.849 111.6 51.7 -66.4 -35.0 -6.3 3.1 12.9 321 327 A V H <> S+ 0 0 2 -3,-0.7 4,-1.9 2,-0.2 -2,-0.2 0.939 111.3 46.5 -66.0 -51.7 -2.8 4.7 12.7 322 328 A R H < S+ 0 0 79 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.898 112.3 52.6 -53.4 -43.4 -3.5 6.0 9.1 323 329 A A H < S+ 0 0 82 -4,-2.3 -2,-0.2 -5,-0.3 -1,-0.2 0.887 107.9 48.7 -63.8 -42.2 -6.9 7.2 10.2 324 330 A A H < 0 0 75 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.878 360.0 360.0 -64.9 -36.5 -5.6 9.2 13.2 325 331 A E < 0 0 151 -4,-1.9 0, 0.0 -5,-0.2 0, 0.0 -0.373 360.0 360.0 -68.5 360.0 -3.0 10.7 10.8