==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 31-MAY-01 1JAM . COMPND 2 MOLECULE: CASEIN KINASE II, ALPHA CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR R.BATTISTUTTA,E.DE MOLINER,S.SARNO,G.ZANOTTI,L.A.PINNA . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15779.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 209 63.9 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 . 37 11.3 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 . 0 0.0 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 . 27 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 35 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 94 28.7 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 0 1 2 1 0 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 2 1 1 1 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,-0.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 145.0 18.1 -10.7 -9.0 2 8 A K - 0 0 113 176,-0.1 202,-0.1 177,-0.1 5,-0.1 -0.984 360.0 -96.3-137.7 147.8 16.8 -7.1 -9.1 3 9 A A - 0 0 3 -2,-0.3 4,-0.1 1,-0.1 3,-0.1 -0.243 25.9-137.3 -57.7 151.7 14.7 -5.0 -6.7 4 10 A R S S+ 0 0 157 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.581 86.3 25.7 -88.6 -11.0 11.0 -5.0 -7.6 5 11 A V S S+ 0 0 61 1,-0.1 200,-0.2 2,-0.0 -1,-0.1 -0.952 120.7 18.6-145.1 160.9 10.7 -1.2 -6.9 6 12 A Y S > S+ 0 0 65 -2,-0.3 3,-0.8 1,-0.1 4,-0.3 0.711 76.7 139.9 49.7 24.2 13.1 1.8 -6.9 7 13 A A T 3 + 0 0 16 1,-0.2 3,-0.2 -4,-0.1 -1,-0.1 0.804 68.0 41.7 -66.9 -30.4 15.4 -0.3 -9.0 8 14 A D T >> S+ 0 0 87 1,-0.2 4,-2.2 2,-0.1 3,-1.4 0.356 78.2 109.9-101.9 8.7 16.5 2.6 -11.3 9 15 A V H <> S+ 0 0 19 -3,-0.8 4,-1.0 1,-0.3 -1,-0.2 0.875 88.2 36.5 -49.7 -47.8 16.8 5.4 -8.8 10 16 A N H 34 S+ 0 0 4 166,-0.4 -1,-0.3 -4,-0.3 8,-0.1 0.473 112.0 62.8 -86.0 -2.5 20.6 5.6 -9.1 11 17 A V H <4 S+ 0 0 98 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.2 0.833 109.1 38.8 -85.7 -39.4 20.5 4.8 -12.8 12 18 A L H < S+ 0 0 137 -4,-2.2 -2,-0.2 2,-0.1 -3,-0.1 0.718 105.9 86.2 -81.4 -23.8 18.5 8.0 -13.5 13 19 A R S < S- 0 0 79 -4,-1.0 5,-0.1 -5,-0.3 -3,-0.0 -0.520 88.1-100.9 -85.2 147.1 20.5 10.1 -11.0 14 20 A P >> - 0 0 74 0, 0.0 3,-2.2 0, 0.0 4,-0.7 -0.307 32.0-116.0 -61.0 142.6 23.9 11.8 -11.7 15 21 A K H 3> S+ 0 0 117 1,-0.3 4,-3.4 2,-0.2 3,-0.3 0.760 113.0 73.1 -53.0 -24.0 27.0 10.0 -10.4 16 22 A E H 34 S+ 0 0 146 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.884 92.7 55.7 -57.8 -37.5 27.5 12.9 -8.1 17 23 A Y H <4 S+ 0 0 32 -3,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 124.8 18.4 -63.8 -39.4 24.5 11.6 -6.1 18 24 A W H < S+ 0 0 60 -4,-0.7 2,-1.7 -3,-0.3 -2,-0.2 0.556 94.0 100.2-112.6 -10.3 25.9 8.1 -5.5 19 25 A D >< + 0 0 53 -4,-3.4 3,-0.6 -5,-0.2 -1,-0.1 -0.592 40.1 161.6 -79.9 88.2 29.7 8.5 -6.1 20 26 A Y G > + 0 0 26 -2,-1.7 3,-1.2 1,-0.2 -1,-0.2 0.658 60.8 70.7 -83.0 -18.5 30.8 8.7 -2.5 21 27 A E G 3 S+ 0 0 112 1,-0.3 -1,-0.2 -3,-0.2 -2,-0.1 0.626 98.9 52.6 -74.1 -9.9 34.5 7.8 -3.0 22 28 A A G < S+ 0 0 60 -3,-0.6 -1,-0.3 -6,-0.1 -2,-0.2 0.350 81.7 127.1-103.2 2.6 34.9 11.2 -4.7 23 29 A L < - 0 0 25 -3,-1.2 2,-0.7 1,-0.1 50,-0.1 -0.386 48.2-154.1 -63.6 132.8 33.4 13.0 -1.7 24 30 A T - 0 0 118 -2,-0.1 2,-0.1 49,-0.0 -1,-0.1 -0.916 16.5-137.7-113.6 104.6 35.5 15.9 -0.4 25 31 A V - 0 0 32 -2,-0.7 2,-0.7 1,-0.1 48,-0.0 -0.369 7.6-155.4 -65.8 133.3 34.7 16.5 3.3 26 32 A Q - 0 0 179 -2,-0.1 68,-0.2 69,-0.0 -1,-0.1 -0.644 25.9-156.1-108.1 70.9 34.4 20.1 4.5 27 33 A W - 0 0 70 -2,-0.7 68,-0.2 1,-0.1 2,-0.1 0.173 7.1-156.6 -44.5 162.1 35.2 19.5 8.1 28 34 A G - 0 0 32 66,-1.7 2,-0.6 0, 0.0 68,-0.5 -0.263 36.1 -59.3-120.9-151.1 34.1 21.9 10.9 29 35 A E - 0 0 104 1,-0.2 3,-0.3 66,-0.1 4,-0.1 -0.889 21.8-169.1-109.0 118.8 35.4 22.7 14.4 30 36 A Q S > S+ 0 0 73 -2,-0.6 3,-1.3 66,-0.5 2,-1.2 0.729 90.5 78.9 -68.2 -17.2 35.6 20.0 17.1 31 37 A D T 3 S+ 0 0 123 1,-0.2 -1,-0.3 -3,-0.1 3,-0.1 -0.239 88.0 55.7 -82.2 44.5 36.2 23.2 19.1 32 38 A D T 3 S+ 0 0 32 -2,-1.2 21,-1.1 -3,-0.3 22,-0.5 0.365 95.8 62.6-152.2 -9.9 32.4 23.8 18.9 33 39 A Y E < -A 52 0A 38 -3,-1.3 2,-0.4 19,-0.2 -1,-0.3 -0.986 63.0-156.8-131.2 125.9 30.8 20.6 20.5 34 40 A E E -A 51 0A 126 17,-1.6 17,-1.9 -2,-0.4 2,-0.3 -0.840 16.4-125.6-108.6 139.4 31.3 19.4 24.0 35 41 A V E +A 50 0A 81 -2,-0.4 15,-0.2 15,-0.2 3,-0.1 -0.586 28.9 170.4 -78.4 134.6 30.8 15.9 25.3 36 42 A V E - 0 0 73 13,-1.8 2,-0.3 -2,-0.3 14,-0.2 0.775 62.4 -18.4-110.4 -50.6 28.4 15.5 28.3 37 43 A R E -A 49 0A 131 12,-1.5 12,-2.6 0, 0.0 -1,-0.2 -0.881 62.9-107.3-166.7 132.5 27.9 11.8 28.8 38 44 A K E +A 48 0A 121 -2,-0.3 10,-0.3 10,-0.2 3,-0.1 -0.362 36.2 168.1 -60.1 127.2 28.4 8.5 26.9 39 45 A V E + 0 0 65 8,-2.0 2,-0.3 1,-0.3 9,-0.2 0.512 61.3 23.6-117.6 -13.2 25.0 7.1 25.9 40 46 A G E -A 47 0A 24 7,-1.6 7,-3.5 2,-0.0 -1,-0.3 -0.987 56.2-160.2-158.2 146.4 26.0 4.4 23.4 41 47 A R + 0 0 173 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.594 17.7 165.5-115.1 177.5 28.9 2.1 22.5 42 48 A G - 0 0 18 -2,-0.2 3,-0.1 3,-0.1 -2,-0.0 -0.915 49.2-105.5 174.6 158.7 29.8 0.2 19.3 43 49 A K S S+ 0 0 160 -2,-0.3 -1,-0.1 1,-0.2 3,-0.1 0.734 123.3 29.9 -69.1 -22.2 32.4 -1.7 17.3 44 50 A Y S S- 0 0 95 1,-0.2 21,-2.3 -3,-0.1 2,-0.3 0.438 128.8 -1.8-116.3 -2.1 32.7 1.3 14.9 45 51 A S E - B 0 64A 8 19,-0.3 2,-0.4 -3,-0.1 19,-0.2 -0.994 53.6-119.6-172.0 175.5 32.0 4.2 17.2 46 52 A E E - B 0 63A 64 17,-1.7 17,-2.7 -2,-0.3 2,-0.4 -0.992 26.5-145.9-130.4 136.2 31.0 5.8 20.6 47 53 A V E -AB 40 62A 25 -7,-3.5 -8,-2.0 -2,-0.4 -7,-1.6 -0.869 15.8-173.8-109.1 139.9 27.9 7.9 21.0 48 54 A F E -AB 38 61A 24 13,-2.4 13,-3.5 -2,-0.4 2,-0.7 -0.985 28.7-127.6-134.1 141.6 27.7 10.9 23.4 49 55 A E E +AB 37 60A 19 -12,-2.6 -13,-1.8 -2,-0.4 -12,-1.5 -0.786 50.2 173.9 -82.7 120.2 24.9 13.2 24.5 50 56 A G E -AB 35 59A 0 9,-3.6 9,-2.6 -2,-0.7 2,-0.3 -0.670 29.5-125.8-125.3-178.5 26.5 16.5 23.8 51 57 A I E -AB 34 58A 64 -17,-1.9 -17,-1.6 7,-0.3 2,-0.9 -0.912 20.8-124.0-126.4 152.8 25.8 20.3 23.8 52 58 A N E > -A 33 0A 10 5,-2.4 4,-2.9 -2,-0.3 5,-0.2 -0.856 16.8-151.7-100.1 101.0 26.3 22.8 21.1 53 59 A V T 4 S+ 0 0 77 -21,-1.1 -1,-0.2 -2,-0.9 -20,-0.1 0.753 91.5 47.5 -39.2 -32.8 28.5 25.5 22.6 54 60 A N T 4 S+ 0 0 102 -22,-0.5 -1,-0.1 1,-0.1 -21,-0.0 0.962 122.6 21.3 -74.6 -88.1 26.8 27.9 20.3 55 61 A N T 4 S- 0 0 112 1,-0.1 -2,-0.2 2,-0.1 3,-0.1 0.679 94.7-129.6 -56.0 -22.7 23.0 27.6 20.3 56 62 A N < + 0 0 119 -4,-2.9 -1,-0.1 1,-0.3 -3,-0.1 0.371 63.0 142.1 82.4 -3.7 23.2 25.9 23.7 57 63 A E - 0 0 122 -5,-0.2 -5,-2.4 -6,-0.1 -1,-0.3 -0.387 55.1-111.0 -70.9 145.9 21.0 23.3 22.1 58 64 A K E +B 51 0A 91 -7,-0.2 51,-0.4 -3,-0.1 2,-0.3 -0.261 42.6 169.8 -71.9 163.7 21.6 19.6 22.9 59 65 A C E -B 50 0A 3 -9,-2.6 -9,-3.6 49,-0.2 2,-0.5 -0.964 34.7-103.7-163.5 174.4 23.0 17.2 20.3 60 66 A I E -BC 49 107A 10 47,-2.1 47,-2.5 -2,-0.3 2,-0.6 -0.958 27.4-157.0-115.1 124.7 24.4 13.7 19.7 61 67 A I E -BC 48 106A 8 -13,-3.5 -13,-2.4 -2,-0.5 2,-0.6 -0.898 5.3-167.3-107.2 120.0 28.1 13.3 19.2 62 68 A K E -BC 47 105A 14 43,-2.3 43,-2.0 -2,-0.6 2,-0.7 -0.920 2.6-163.7-108.7 116.6 29.3 10.3 17.4 63 69 A I E -BC 46 104A 42 -17,-2.7 -17,-1.7 -2,-0.6 41,-0.2 -0.892 16.0-141.1-103.4 114.0 33.1 9.6 17.5 64 70 A L E -B 45 0A 10 39,-1.6 -19,-0.3 -2,-0.7 3,-0.1 -0.501 7.8-131.9 -78.7 138.5 34.2 7.1 14.9 65 71 A K - 0 0 75 -21,-2.3 2,-0.3 -2,-0.2 -1,-0.1 -0.265 50.1 -68.0 -76.2 171.2 36.8 4.4 15.5 66 72 A P S S+ 0 0 126 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.499 73.5 140.4 -69.2 123.2 39.7 4.0 13.1 67 73 A V - 0 0 51 -2,-0.3 5,-0.1 -3,-0.1 -3,-0.0 -0.966 58.9 -67.9-154.6 163.8 38.6 2.7 9.6 68 74 A K >> - 0 0 116 -2,-0.3 3,-1.0 1,-0.2 4,-0.8 -0.279 46.7-121.9 -55.9 139.8 39.4 3.2 5.9 69 75 A K H 3> S+ 0 0 115 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.602 106.2 74.1 -62.7 -9.6 38.2 6.7 4.8 70 76 A K H 3> S+ 0 0 79 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 96.4 46.5 -67.6 -46.0 36.0 5.0 2.2 71 77 A K H <> S+ 0 0 35 -3,-1.0 4,-1.6 1,-0.2 -1,-0.2 0.751 111.8 53.0 -67.2 -26.1 33.5 3.8 4.9 72 78 A I H X S+ 0 0 19 -4,-0.8 4,-1.7 2,-0.2 -1,-0.2 0.889 109.5 45.9 -77.8 -40.9 33.5 7.3 6.5 73 79 A K H X S+ 0 0 44 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.868 109.8 57.1 -69.0 -35.4 32.7 9.1 3.2 74 80 A R H X S+ 0 0 31 -4,-2.0 4,-2.2 1,-0.2 5,-0.2 0.966 107.5 45.4 -60.2 -53.6 29.9 6.6 2.5 75 81 A E H X S+ 0 0 7 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.884 114.5 51.1 -58.5 -38.0 28.1 7.2 5.7 76 82 A I H X S+ 0 0 2 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.942 109.6 46.3 -66.1 -51.1 28.4 11.0 5.2 77 83 A K H X S+ 0 0 28 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.935 112.7 50.9 -58.6 -46.4 27.1 11.2 1.6 78 84 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 -5,-0.2 -1,-0.2 0.891 109.4 50.3 -59.3 -40.6 24.1 8.9 2.5 79 85 A L H X S+ 0 0 2 -4,-1.8 4,-1.2 -5,-0.2 12,-0.4 0.836 110.9 49.8 -67.8 -30.6 23.2 11.1 5.5 80 86 A Q H < S+ 0 0 98 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.886 111.5 48.6 -73.9 -38.2 23.4 14.2 3.3 81 87 A N H < S+ 0 0 32 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.888 116.7 42.4 -67.9 -37.5 21.2 12.5 0.7 82 88 A L H >< S+ 0 0 0 -4,-2.4 3,-2.2 -5,-0.2 -1,-0.2 0.606 79.8 123.7 -87.9 -11.7 18.6 11.5 3.3 83 89 A C T 3< S+ 0 0 67 -4,-1.2 7,-0.1 1,-0.2 6,-0.1 -0.243 75.9 26.9 -51.9 128.5 18.5 14.6 5.5 84 90 A G T 3 S+ 0 0 57 1,-0.4 -1,-0.2 4,-0.3 3,-0.1 -0.048 88.0 124.1 108.9 -33.5 14.9 15.8 5.6 85 91 A G S X S- 0 0 5 -3,-2.2 3,-1.3 1,-0.1 -1,-0.4 -0.145 74.9 -81.4 -59.0 156.9 13.1 12.5 5.1 86 92 A P T 3 S- 0 0 60 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.397 107.0 -5.7 -67.7 131.5 10.6 11.4 7.7 87 93 A N T 3 S+ 0 0 21 1,-0.2 80,-2.8 -2,-0.2 2,-0.5 0.653 95.0 133.9 62.3 20.7 12.0 9.7 10.8 88 94 A I B < -e 167 0B 2 -3,-1.3 -4,-0.3 78,-0.2 -1,-0.2 -0.869 66.3-108.4 -99.6 128.4 15.6 9.7 9.5 89 95 A V - 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0 0 43 -36,-0.0 -5,-1.1 1,-0.0 -1,-0.2 -0.643 27.7-134.2 -80.2 121.0 39.5 11.3 14.8 103 109 A P E - D 0 96A 18 0, 0.0 -39,-1.6 0, 0.0 2,-0.3 -0.354 22.0-172.7 -73.1 152.8 36.3 12.0 12.8 104 110 A S E -CD 63 95A 6 -9,-2.6 -9,-3.4 -41,-0.2 2,-0.4 -0.971 11.4-152.5-151.1 132.4 33.0 13.0 14.5 105 111 A L E -CD 62 94A 3 -43,-2.0 -43,-2.3 -2,-0.3 2,-0.5 -0.875 12.2-143.3-108.1 137.8 29.5 13.5 13.2 106 112 A I E -CD 61 93A 2 -13,-3.5 -14,-3.9 -2,-0.4 -13,-1.4 -0.886 23.5-178.0-105.1 124.0 27.0 15.9 14.9 107 113 A F E -CD 60 91A 12 -47,-2.5 -47,-2.1 -2,-0.5 -16,-0.2 -0.769 34.1 -89.8-119.6 162.7 23.3 14.8 15.0 108 114 A E - 0 0 26 -18,-1.8 2,-0.4 -2,-0.3 -49,-0.2 -0.187 56.5-101.3 -58.9 161.4 20.0 16.2 16.2 109 115 A Y + 0 0 51 -51,-0.4 2,-0.3 -50,-0.1 -1,-0.1 -0.729 41.2 172.7 -96.8 142.4 19.2 15.3 19.8 110 116 A V - 0 0 5 -2,-0.4 48,-0.1 1,-0.2 -51,-0.0 -0.959 32.1-136.6-146.9 124.1 16.9 12.5 20.8 111 117 A N - 0 0 85 -2,-0.3 -1,-0.2 46,-0.1 48,-0.1 0.912 36.6-161.0 -43.7 -63.2 16.4 11.3 24.4 112 118 A N - 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0 0 105 -5,-2.3 -1,-0.1 -6,-0.2 -2,-0.1 -0.633 51.4-159.5-155.1 81.7 11.0 -12.6 22.9 224 230 A E S S+ 0 0 46 1,-0.1 2,-1.1 -2,-0.1 3,-0.2 0.867 85.7 44.6 -36.4 -93.3 13.8 -10.2 21.8 225 231 A P S S+ 0 0 34 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.385 74.2 177.2 -57.9 102.7 16.2 -12.3 19.9 226 232 A F S S+ 0 0 13 -2,-1.1 2,-0.8 1,-0.3 -2,-0.1 0.931 79.9 34.7 -70.3 -45.0 13.4 -14.0 18.0 227 233 A F S S- 0 0 3 -37,-0.3 2,-0.9 -3,-0.2 -1,-0.3 -0.922 85.6-172.9-108.4 100.0 15.9 -16.0 16.0 228 234 A Y + 0 0 110 -2,-0.8 2,-0.4 -3,-0.3 -38,-0.0 -0.737 14.5 159.6-103.9 86.5 18.6 -16.6 18.5 229 235 A G - 0 0 0 -2,-0.9 6,-0.1 1,-0.1 -2,-0.1 -0.842 36.8-145.2-106.2 143.7 21.7 -18.2 16.8 230 236 A H S S+ 0 0 122 -2,-0.4 2,-0.3 1,-0.0 -1,-0.1 0.785 83.3 7.1 -76.6 -28.8 25.2 -18.1 18.3 231 237 A D S > S- 0 0 82 -42,-0.1 4,-2.2 1,-0.0 5,-0.1 -0.876 89.4 -89.2-143.0 175.1 26.9 -17.8 14.9 232 238 A N H > S+ 0 0 73 -2,-0.3 4,-1.6 1,-0.2 5,-0.2 0.883 125.3 47.8 -57.5 -43.5 26.0 -17.4 11.2 233 239 A H H > S+ 0 0 54 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.898 115.2 46.8 -65.0 -37.9 25.6 -21.1 10.6 234 240 A D H > S+ 0 0 33 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.788 104.7 62.2 -72.7 -28.9 23.5 -21.5 13.7 235 241 A Q H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.913 104.2 47.0 -63.7 -43.7 21.4 -18.4 12.8 236 242 A L H X S+ 0 0 0 -4,-1.6 4,-2.7 1,-0.2 -1,-0.2 0.850 108.7 55.3 -67.7 -33.9 20.1 -20.1 9.6 237 243 A V H X S+ 0 0 18 -4,-1.2 4,-1.2 1,-0.2 -1,-0.2 0.917 107.3 50.4 -64.0 -42.6 19.3 -23.3 11.5 238 244 A K H < S+ 0 0 57 -4,-2.0 4,-0.4 2,-0.2 3,-0.3 0.898 111.5 47.8 -61.7 -42.4 17.2 -21.2 13.9 239 245 A I H >X S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 3,-1.8 0.949 110.0 52.4 -64.1 -48.1 15.3 -19.6 11.0 240 246 A A H 3X S+ 0 0 0 -4,-2.7 4,-0.9 1,-0.3 -1,-0.2 0.713 101.0 62.2 -61.6 -22.0 14.8 -23.0 9.3 241 247 A K H 3< S+ 0 0 71 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.602 114.0 33.4 -81.0 -10.4 13.3 -24.4 12.5 242 248 A V H <4 S+ 0 0 14 -3,-1.8 31,-2.6 -4,-0.4 -2,-0.2 0.804 124.4 37.8-106.0 -52.4 10.4 -21.9 12.4 243 249 A L H < S- 0 0 8 -4,-2.3 4,-0.3 29,-0.2 29,-0.2 0.582 110.4-116.2 -78.9 -11.5 9.7 -21.3 8.7 244 250 A G < - 0 0 3 -4,-0.9 4,-0.4 27,-0.4 27,-0.2 0.017 14.1-102.8 91.5 156.9 10.3 -24.9 7.7 245 251 A T S > S+ 0 0 4 25,-3.4 4,-1.7 2,-0.2 26,-0.1 0.666 108.2 70.8 -92.6 -19.4 12.9 -26.3 5.4 246 252 A D H > S+ 0 0 125 24,-0.5 4,-1.8 1,-0.2 5,-0.2 0.923 97.6 51.6 -63.5 -43.8 10.7 -26.8 2.3 247 253 A G H > S+ 0 0 32 -4,-0.3 4,-2.0 1,-0.2 -1,-0.2 0.846 106.7 55.1 -61.5 -33.2 10.5 -23.1 1.7 248 254 A L H > S+ 0 0 5 -4,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.890 104.7 52.6 -67.7 -39.7 14.3 -22.9 1.9 249 255 A N H X S+ 0 0 54 -4,-1.7 4,-3.0 2,-0.2 5,-0.2 0.915 108.2 50.4 -62.6 -43.7 14.8 -25.5 -0.8 250 256 A V H X S+ 0 0 97 -4,-1.8 4,-3.2 2,-0.2 -2,-0.2 0.961 112.8 47.6 -57.9 -50.5 12.6 -23.6 -3.2 251 257 A Y H X S+ 0 0 4 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.945 113.3 47.1 -53.9 -54.6 14.6 -20.4 -2.4 252 258 A L H <>S+ 0 0 13 -4,-3.1 5,-3.0 1,-0.2 -1,-0.2 0.902 115.7 45.4 -56.7 -44.0 17.9 -22.2 -2.9 253 259 A N H ><5S+ 0 0 120 -4,-3.0 3,-0.9 3,-0.2 -1,-0.2 0.891 109.3 55.6 -68.8 -40.2 16.7 -23.8 -6.2 254 260 A K H 3<5S+ 0 0 112 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.957 117.7 32.8 -58.2 -52.9 15.2 -20.6 -7.6 255 261 A Y T 3<5S- 0 0 45 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.257 109.6-120.1 -89.9 14.5 18.4 -18.6 -7.3 256 262 A R T < 5 + 0 0 221 -3,-0.9 2,-0.4 1,-0.2 -3,-0.2 0.926 47.7 179.5 47.2 54.4 20.6 -21.6 -8.0 257 263 A I < - 0 0 19 -5,-3.0 -1,-0.2 -6,-0.2 -58,-0.1 -0.730 24.5-149.9 -91.7 136.0 22.3 -21.2 -4.6 258 264 A E - 0 0 146 -2,-0.4 -1,-0.1 -60,-0.2 -59,-0.1 0.997 14.5-166.6 -62.8 -74.6 25.1 -23.7 -3.6 259 265 A L - 0 0 19 -61,-0.3 -61,-0.1 4,-0.0 -60,-0.0 0.870 30.5-107.3 76.4 99.6 24.9 -23.9 0.2 260 266 A D > - 0 0 73 1,-0.1 4,-2.2 4,-0.1 5,-0.2 -0.128 25.7-108.7 -56.7 150.9 28.1 -25.7 1.4 261 267 A P H > S+ 0 0 104 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.791 113.2 52.6 -47.5 -42.8 27.9 -29.3 2.8 262 268 A Q H > S+ 0 0 133 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.968 112.0 41.6 -64.4 -56.5 28.5 -28.3 6.5 263 269 A L H > S+ 0 0 3 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.863 114.9 53.8 -60.8 -36.6 25.7 -25.7 6.8 264 270 A E H X S+ 0 0 104 -4,-2.2 4,-2.4 2,-0.2 -1,-0.2 0.942 113.3 40.2 -63.9 -48.6 23.3 -27.9 4.8 265 271 A A H < S+ 0 0 79 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.923 113.3 56.7 -64.5 -43.1 23.8 -31.0 7.0 266 272 A L H < S+ 0 0 91 -4,-3.1 -1,-0.2 -5,-0.2 -2,-0.2 0.848 110.2 45.6 -55.6 -37.4 23.8 -28.6 10.0 267 273 A V H < S+ 0 0 6 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.913 83.7 167.0 -75.6 -46.7 20.3 -27.4 8.8 268 274 A G < - 0 0 36 -4,-2.4 2,-0.4 -5,-0.1 -1,-0.1 -0.340 47.2 -43.2 68.1-146.8 18.7 -30.8 8.1 269 275 A R + 0 0 198 -4,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.986 57.0 169.4-129.3 129.6 14.9 -31.0 7.5 270 276 A H - 0 0 65 -2,-0.4 -25,-3.4 -30,-0.1 -24,-0.5 -0.992 27.5-129.9-139.1 144.2 12.2 -29.3 9.5 271 277 A S - 0 0 83 -2,-0.3 -27,-0.4 -27,-0.2 2,-0.2 -0.478 42.5 -91.9 -84.9 163.3 8.5 -28.8 9.1 272 278 A R - 0 0 103 -29,-0.2 -29,-0.2 -2,-0.1 -30,-0.1 -0.550 31.6-140.6 -79.0 139.3 7.0 -25.3 9.4 273 279 A K - 0 0 66 -31,-2.6 5,-0.1 -2,-0.2 -1,-0.0 -0.888 22.7-121.4-101.6 119.8 5.7 -24.2 12.8 274 280 A P > - 0 0 62 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.328 21.7-119.6 -59.8 140.8 2.5 -22.2 12.6 275 281 A W G > S+ 0 0 13 1,-0.3 3,-1.6 2,-0.2 4,-0.1 0.749 106.9 68.2 -51.7 -31.1 2.8 -18.7 14.2 276 282 A L G > S+ 0 0 113 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.731 83.4 71.3 -66.4 -21.2 0.1 -19.3 16.8 277 283 A K G < S+ 0 0 158 -3,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.574 90.6 62.1 -71.6 -6.4 2.2 -21.9 18.6 278 284 A F G < S+ 0 0 53 -3,-1.6 2,-0.3 -4,-0.2 -1,-0.3 0.463 81.0 108.9 -94.4 -4.4 4.4 -19.0 19.8 279 285 A M < + 0 0 93 -3,-1.6 2,-0.3 -4,-0.1 -58,-0.1 -0.563 40.8 159.2 -77.7 135.5 1.5 -17.5 21.7 280 286 A N >> - 0 0 76 -2,-0.3 3,-2.6 -59,-0.0 4,-1.6 -0.953 57.3 -89.4-149.4 164.6 1.6 -17.6 25.5 281 287 A A T 34 S+ 0 0 89 1,-0.3 4,-0.3 -2,-0.3 -2,-0.0 0.731 124.0 58.8 -48.2 -26.5 -0.0 -15.8 28.4 282 288 A D T 34 S+ 0 0 99 1,-0.2 -1,-0.3 2,-0.1 -3,-0.1 0.708 121.8 20.9 -79.5 -20.8 2.9 -13.3 28.4 283 289 A N T X> S+ 0 0 1 -3,-2.6 3,-1.7 -62,-0.1 4,-0.9 0.337 88.9 101.2-129.6 7.1 2.2 -12.2 24.8 284 290 A Q T 3< S+ 0 0 122 -4,-1.6 3,-0.3 1,-0.3 -3,-0.1 0.794 77.0 65.4 -67.0 -22.9 -1.4 -13.0 24.0 285 291 A H T 34 S+ 0 0 98 -4,-0.3 -1,-0.3 1,-0.2 -161,-0.2 0.606 110.4 37.9 -72.1 -8.9 -2.4 -9.4 24.6 286 292 A L T <4 S+ 0 0 2 -3,-1.7 2,-1.0 -66,-0.3 -1,-0.2 0.501 93.9 90.6-116.8 -10.9 -0.3 -8.5 21.5 287 293 A V < + 0 0 22 -4,-0.9 -1,-0.1 -3,-0.3 -4,-0.0 -0.746 50.1 160.1 -96.2 96.8 -0.9 -11.4 19.1 288 294 A S > - 0 0 26 -2,-1.0 4,-2.2 1,-0.1 5,-0.2 -0.738 53.1-109.0-109.9 160.7 -3.9 -10.6 16.9 289 295 A P H > S+ 0 0 113 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.868 120.6 52.2 -55.7 -38.7 -4.8 -12.2 13.5 290 296 A E H > S+ 0 0 79 2,-0.2 4,-2.2 1,-0.2 27,-0.2 0.895 107.1 51.5 -66.3 -39.6 -3.9 -9.0 11.7 291 297 A A H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 111.5 48.7 -61.6 -42.3 -0.5 -8.9 13.4 292 298 A I H X S+ 0 0 30 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.886 109.2 51.4 -64.6 -41.6 0.1 -12.5 12.3 293 299 A D H X S+ 0 0 61 -4,-2.2 4,-1.4 -5,-0.2 -1,-0.2 0.923 112.6 46.8 -62.7 -43.5 -0.9 -11.8 8.7 294 300 A F H < S+ 0 0 0 -4,-2.2 4,-0.4 2,-0.2 3,-0.4 0.948 113.0 46.8 -62.8 -51.9 1.5 -8.8 8.6 295 301 A L H >X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 3,-1.4 0.885 107.8 58.5 -57.6 -40.6 4.4 -10.7 10.1 296 302 A D H 3< S+ 0 0 38 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.873 104.4 50.2 -59.2 -38.5 3.8 -13.6 7.8 297 303 A K T 3< S+ 0 0 71 -4,-1.4 10,-1.5 -3,-0.4 -1,-0.3 0.497 112.4 49.1 -80.1 -4.8 4.2 -11.4 4.7 298 304 A L T <4 S+ 0 0 0 -3,-1.4 2,-1.8 -4,-0.4 -2,-0.2 0.844 100.5 60.6 -98.4 -48.5 7.5 -10.1 6.0 299 305 A L < + 0 0 2 -4,-2.4 2,-0.4 -86,-0.1 -1,-0.2 -0.532 68.7 137.7 -86.0 79.0 9.4 -13.2 7.0 300 306 A R - 0 0 72 -2,-1.8 6,-0.2 -3,-0.2 5,-0.1 -0.973 54.7-136.3-120.9 134.1 9.6 -15.0 3.6 301 307 A Y S S+ 0 0 13 -2,-0.4 2,-0.7 -58,-0.1 -106,-0.3 0.934 92.1 75.7 -52.9 -50.3 12.8 -16.7 2.6 302 308 A D S >> S- 0 0 12 1,-0.2 3,-1.8 -3,-0.1 4,-1.0 -0.548 73.4-155.3 -70.4 111.0 12.5 -15.3 -0.9 303 309 A H T 34 S+ 0 0 2 -2,-0.7 3,-0.3 1,-0.3 -1,-0.2 0.805 92.6 59.0 -56.3 -32.5 13.4 -11.6 -0.7 304 310 A Q T 34 S+ 0 0 51 1,-0.2 -1,-0.3 -301,-0.1 -2,-0.1 0.658 101.5 55.2 -72.5 -16.7 11.3 -10.9 -3.8 305 311 A E T <4 S+ 0 0 102 -3,-1.8 -1,-0.2 -5,-0.1 -2,-0.2 0.757 85.8 101.7 -85.9 -27.1 8.2 -12.2 -2.1 306 312 A R S < S- 0 0 5 -4,-1.0 -8,-0.2 -3,-0.3 2,-0.1 -0.129 83.5 -97.8 -58.3 153.7 8.4 -9.9 1.0 307 313 A L - 0 0 26 -10,-1.5 2,-0.1 -13,-0.2 -1,-0.1 -0.410 36.9-121.6 -68.7 147.9 6.2 -6.8 1.3 308 314 A T > - 0 0 29 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.459 29.6-104.6 -83.9 164.5 7.9 -3.6 0.2 309 315 A A H > S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -170,-0.2 0.895 123.1 50.9 -58.5 -36.9 8.0 -0.8 2.8 310 316 A L H > S+ 0 0 89 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.926 108.9 48.1 -68.6 -44.6 5.2 1.0 1.0 311 317 A E H >4 S+ 0 0 85 1,-0.2 3,-0.6 2,-0.2 4,-0.4 0.898 109.0 56.4 -62.2 -38.1 2.9 -2.1 0.8 312 318 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -1,-0.2 0.900 99.6 57.8 -60.1 -43.9 3.5 -2.7 4.5 313 319 A M H 3< S+ 0 0 20 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.801 107.3 49.5 -57.4 -30.2 2.3 0.8 5.5 314 320 A T T << S+ 0 0 88 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.469 80.2 122.4 -90.8 -2.6 -1.1 0.1 3.9 315 321 A H S X S- 0 0 12 -3,-1.6 3,-2.1 -4,-0.4 4,-0.1 -0.314 75.4-116.4 -59.7 142.3 -1.7 -3.3 5.5 316 322 A P G > S+ 0 0 70 0, 0.0 3,-2.1 0, 0.0 4,-0.2 0.720 108.3 76.7 -52.2 -25.3 -5.0 -3.3 7.5 317 323 A Y G 3 S+ 0 0 2 1,-0.3 3,-0.3 -27,-0.2 4,-0.2 0.784 97.2 44.7 -58.3 -29.8 -3.0 -3.9 10.7 318 324 A F G <> S+ 0 0 0 -3,-2.1 4,-2.3 -6,-0.2 3,-0.3 0.230 80.5 120.6 -98.9 13.5 -2.1 -0.1 10.7 319 325 A Q H <> S+ 0 0 129 -3,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.828 76.9 40.4 -43.0 -49.2 -5.7 0.7 9.9 320 326 A Q H > S+ 0 0 118 -3,-0.3 4,-2.3 -4,-0.2 -1,-0.2 0.817 110.6 56.6 -75.5 -32.7 -6.2 2.9 13.0 321 327 A V H > S+ 0 0 4 -3,-0.3 4,-1.4 2,-0.2 -2,-0.2 0.870 110.4 47.3 -66.2 -34.8 -2.8 4.5 12.9 322 328 A R H X S+ 0 0 60 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.948 111.9 47.7 -70.4 -49.7 -3.6 5.7 9.4 323 329 A A H X S+ 0 0 58 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.877 112.4 50.2 -58.9 -38.4 -7.1 7.0 10.3 324 330 A A H < S+ 0 0 58 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.847 112.0 48.7 -69.0 -32.4 -5.6 8.8 13.3 325 331 A E H < S+ 0 0 93 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.864 110.4 50.5 -73.8 -38.0 -3.0 10.4 11.1 326 332 A N H < 0 0 129 -4,-2.6 -2,-0.2 -5,-0.1 -3,-0.2 0.950 360.0 360.0 -64.6 -50.2 -5.5 11.5 8.4 327 333 A S < 0 0 146 -4,-2.3 -3,-0.1 -5,-0.2 -4,-0.1 -0.110 360.0 360.0 175.1 360.0 -7.7 13.1 11.0