==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 01-NOV-99 1DAY . COMPND 2 MOLECULE: PROTEIN KINASE CK2; . SOURCE 2 ORGANISM_SCIENTIFIC: ZEA MAYS; . AUTHOR K.NIEFIND,M.PUETTER,B.GUERRA,O.G.ISSINGER,D.SCHOMBURG . 327 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.3 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 . 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 . 23 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 45 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 100 30.6 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 1 1 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 40 0, 0.0 178,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 142.9 17.7 -11.2 -7.9 2 8 A K - 0 0 115 176,-0.1 202,-0.1 177,-0.0 5,-0.0 -0.966 360.0 -93.7-143.5 151.3 16.7 -7.5 -8.3 3 9 A A - 0 0 10 -2,-0.3 4,-0.1 200,-0.1 301,-0.1 -0.426 25.3-141.4 -63.9 148.8 14.6 -5.3 -6.0 4 10 A R S S+ 0 0 160 1,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.693 85.9 35.0 -84.9 -19.0 11.0 -5.2 -7.1 5 11 A V S S+ 0 0 53 1,-0.1 200,-0.2 2,-0.1 -1,-0.1 -0.929 120.4 9.0-133.3 153.8 10.8 -1.4 -6.3 6 12 A Y S S+ 0 0 66 -2,-0.3 3,-0.4 1,-0.1 4,-0.3 0.733 74.2 143.6 47.2 38.4 13.2 1.5 -6.5 7 13 A A + 0 0 29 1,-0.2 4,-0.4 -4,-0.1 3,-0.2 0.789 67.5 43.1 -72.4 -32.6 15.7 -0.6 -8.5 8 14 A D S > S+ 0 0 85 1,-0.1 4,-2.6 2,-0.1 5,-0.2 0.419 76.0 105.7-101.1 1.2 16.9 2.2 -10.8 9 15 A V H > S+ 0 0 14 -3,-0.4 4,-0.7 2,-0.2 -1,-0.1 0.880 94.0 33.0 -43.1 -53.9 17.3 5.2 -8.4 10 16 A N H >4 S+ 0 0 1 166,-0.5 3,-2.2 -4,-0.3 -1,-0.2 0.996 113.9 60.9 -70.1 -52.5 21.1 5.1 -8.4 11 17 A V H 34 S+ 0 0 89 -4,-0.4 -2,-0.2 165,-0.3 -1,-0.2 0.744 117.0 31.1 -36.7 -50.4 21.3 3.8 -12.0 12 18 A L H 3< S+ 0 0 124 -4,-2.6 -1,-0.3 2,-0.1 -2,-0.2 0.332 100.5 87.8 -95.4 -8.5 19.5 7.0 -13.2 13 19 A R S << S- 0 0 86 -3,-2.2 5,-0.1 -4,-0.7 0, 0.0 -0.618 94.2 -82.1 -86.4 162.5 20.7 9.7 -10.7 14 20 A P >> - 0 0 87 0, 0.0 3,-1.8 0, 0.0 4,-0.6 -0.306 42.4-111.8 -61.6 145.9 23.9 11.6 -11.4 15 21 A K H 3> S+ 0 0 125 1,-0.3 4,-2.0 2,-0.2 3,-0.4 0.765 113.0 65.4 -51.9 -30.0 27.0 9.8 -10.3 16 22 A E H 34 S+ 0 0 151 1,-0.2 -1,-0.3 2,-0.2 6,-0.1 0.814 90.9 67.4 -66.4 -27.3 27.8 12.2 -7.5 17 23 A Y H <4 S+ 0 0 30 -3,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.930 119.5 16.6 -55.1 -51.4 24.6 11.1 -5.7 18 24 A W H < S+ 0 0 69 -4,-0.6 2,-2.1 -3,-0.4 3,-0.2 0.496 98.7 96.5-106.2 -6.7 26.0 7.6 -5.0 19 25 A D >< + 0 0 37 -4,-2.0 3,-1.2 1,-0.2 -1,-0.1 -0.540 44.4 164.7 -80.5 72.3 29.7 8.1 -5.5 20 26 A Y G > + 0 0 22 -2,-2.1 3,-3.0 1,-0.3 -1,-0.2 0.943 65.0 68.5 -64.3 -39.1 30.4 8.6 -1.8 21 27 A E G 3 S+ 0 0 124 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.728 94.6 58.1 -52.2 -24.4 34.2 8.0 -2.2 22 28 A A G < S+ 0 0 66 -3,-1.2 -1,-0.3 -6,-0.1 2,-0.2 0.225 83.4 127.5 -84.1 14.0 34.3 11.4 -4.2 23 29 A L < - 0 0 22 -3,-3.0 2,-0.5 1,-0.0 50,-0.1 -0.492 47.8-155.7 -73.9 140.3 32.8 13.1 -1.1 24 30 A T - 0 0 102 -2,-0.2 2,-0.3 49,-0.0 -2,-0.1 -0.927 14.1-138.9-119.8 104.8 34.6 16.2 0.4 25 31 A V - 0 0 20 -2,-0.5 2,-1.1 1,-0.1 48,-0.0 -0.440 3.1-152.6 -67.9 122.5 34.0 16.8 4.1 26 32 A Q - 0 0 147 -2,-0.3 68,-0.3 69,-0.0 2,-0.1 -0.816 29.0-141.7 -95.8 93.4 33.4 20.4 5.0 27 33 A W - 0 0 87 -2,-1.1 68,-0.2 66,-0.1 3,-0.0 -0.384 12.3-148.9 -63.3 133.2 34.6 20.1 8.6 28 34 A G - 0 0 30 66,-3.2 2,-0.7 -2,-0.1 68,-0.3 -0.039 36.5 -71.5 -84.9-165.3 32.8 22.0 11.3 29 35 A E > - 0 0 80 1,-0.2 3,-1.7 66,-0.1 4,-0.3 -0.812 31.9-155.1 -94.8 114.4 34.2 23.4 14.6 30 36 A Q G > S+ 0 0 62 -2,-0.7 3,-1.5 66,-0.4 -1,-0.2 0.876 91.8 61.8 -56.6 -35.3 35.0 20.7 17.2 31 37 A D G 3 S+ 0 0 112 1,-0.3 -1,-0.3 -3,-0.1 22,-0.1 0.703 84.9 75.2 -67.8 -18.2 34.6 23.2 20.0 32 38 A D G < S+ 0 0 35 -3,-1.7 21,-3.3 1,-0.1 2,-0.5 0.683 94.5 56.7 -62.0 -25.1 30.9 23.9 19.3 33 39 A Y E < -A 52 0A 29 -3,-1.5 2,-0.5 -4,-0.3 19,-0.2 -0.944 66.9-169.6-116.0 123.7 29.9 20.5 20.8 34 40 A E E -A 51 0A 110 17,-2.5 17,-1.3 -2,-0.5 2,-0.2 -0.887 25.9-118.2-111.0 137.4 30.7 19.4 24.3 35 41 A V E +A 50 0A 68 -2,-0.5 15,-0.3 15,-0.2 3,-0.1 -0.461 32.2 171.2 -64.7 135.4 30.2 15.9 25.6 36 42 A V E - 0 0 79 13,-3.0 2,-0.3 1,-0.3 14,-0.2 0.803 63.8 -16.3-108.3 -53.5 27.7 15.7 28.6 37 43 A R E -A 49 0A 123 12,-1.6 12,-3.7 0, 0.0 -1,-0.3 -0.969 66.2-104.0-158.3 143.6 27.2 11.9 29.1 38 44 A K E +A 48 0A 100 -2,-0.3 10,-0.3 10,-0.3 3,-0.1 -0.400 34.4 169.6 -65.2 138.8 27.9 8.6 27.3 39 45 A V E - 0 0 65 8,-3.3 2,-0.3 1,-0.4 9,-0.2 0.541 58.4 -16.6-125.9 -18.5 24.7 7.0 25.9 40 46 A G E -A 47 0A 19 7,-2.2 7,-2.9 2,-0.0 -1,-0.4 -0.988 46.8-161.8-171.3 177.6 26.1 4.2 23.7 41 47 A R E -A 46 0A 185 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.929 3.0-174.1-157.1-178.7 28.9 2.5 22.0 42 48 A G E > -A 45 0A 33 3,-1.6 3,-1.2 -2,-0.3 -2,-0.0 -0.905 53.9 -76.3-168.6 176.3 29.6 -0.0 19.3 43 49 A K T 3 S+ 0 0 169 -2,-0.3 3,-0.0 1,-0.3 0, 0.0 0.642 130.3 25.2 -54.7 -32.6 32.7 -1.7 17.9 44 50 A Y T 3 S+ 0 0 100 21,-0.1 21,-2.4 1,-0.0 2,-0.3 0.113 119.6 50.6-124.7 20.8 33.7 1.4 16.0 45 51 A S E < -AB 42 64A 7 -3,-1.2 -3,-1.6 19,-0.3 2,-0.4 -0.996 53.1-151.6-152.4 161.0 32.1 4.3 17.8 46 52 A E E -AB 41 63A 73 17,-2.3 17,-2.8 -2,-0.3 2,-0.5 -0.998 26.2-154.5-132.1 126.5 31.6 5.9 21.2 47 53 A V E +AB 40 62A 26 -7,-2.9 -8,-3.3 -2,-0.4 -7,-2.2 -0.940 14.4 178.6-118.6 128.1 28.3 7.8 21.5 48 54 A F E -AB 38 61A 29 13,-2.4 13,-2.7 -2,-0.5 2,-0.4 -0.959 35.0-120.2-127.1 139.3 27.6 10.7 23.8 49 55 A E E -AB 37 60A 16 -12,-3.7 -13,-3.0 -2,-0.3 -12,-1.6 -0.683 49.5-177.6 -72.7 130.8 24.7 13.1 24.7 50 56 A G E -AB 35 59A 1 9,-2.9 9,-1.7 -2,-0.4 2,-0.4 -0.621 24.3-129.7-120.9-177.0 26.3 16.5 23.9 51 57 A I E -AB 34 58A 45 -17,-1.3 -17,-2.5 7,-0.3 2,-0.7 -0.992 18.1-128.9-139.6 132.7 25.4 20.1 24.0 52 58 A N E > -A 33 0A 19 5,-2.6 4,-1.7 -2,-0.4 5,-0.2 -0.831 21.4-154.9 -80.1 116.4 25.7 22.7 21.2 53 59 A V T 4 S+ 0 0 58 -21,-3.3 -1,-0.2 -2,-0.7 -20,-0.1 0.894 86.4 54.8 -68.3 -32.8 27.6 25.4 23.0 54 60 A N T 4 S+ 0 0 109 -22,-0.4 -1,-0.2 1,-0.2 -21,-0.1 0.862 127.4 14.1 -64.4 -44.0 26.4 28.2 20.7 55 61 A N T 4 S- 0 0 67 2,-0.1 -1,-0.2 -3,-0.0 -2,-0.2 0.345 93.7-123.2-117.1 0.7 22.6 27.6 21.2 56 62 A N < + 0 0 121 -4,-1.7 2,-0.2 1,-0.2 -3,-0.1 0.597 60.3 141.9 67.9 15.9 22.3 25.3 24.2 57 63 A E - 0 0 123 -5,-0.2 -5,-2.6 1,-0.1 -1,-0.2 -0.607 55.4-108.9 -86.2 146.5 20.4 22.5 22.4 58 64 A K E +B 51 0A 124 -2,-0.2 51,-0.4 -7,-0.2 2,-0.3 -0.317 43.9 174.1 -67.2 157.0 21.1 18.8 23.1 59 65 A C E -B 50 0A 1 -9,-1.7 -9,-2.9 49,-0.2 2,-0.4 -0.900 31.3-112.8-152.7 177.0 22.9 16.9 20.4 60 66 A I E -BC 49 107A 27 47,-2.5 47,-2.3 -2,-0.3 2,-0.5 -0.977 21.8-160.5-118.9 133.2 24.5 13.5 19.8 61 67 A I E -BC 48 106A 7 -13,-2.7 -13,-2.4 -2,-0.4 2,-0.7 -0.984 4.6-169.2-117.9 118.3 28.2 13.2 19.4 62 68 A K E -BC 47 105A 21 43,-3.3 43,-2.9 -2,-0.5 2,-0.6 -0.881 5.6-163.0-111.4 100.5 29.3 10.0 17.6 63 69 A I E -BC 46 104A 46 -17,-2.8 -17,-2.3 -2,-0.7 41,-0.2 -0.780 13.4-143.4 -88.7 119.5 33.1 9.7 17.9 64 70 A L E -B 45 0A 11 39,-2.6 -19,-0.3 -2,-0.6 3,-0.1 -0.489 2.7-135.5 -82.4 149.6 34.4 7.1 15.4 65 71 A K - 0 0 85 -21,-2.4 -21,-0.1 -2,-0.2 -1,-0.1 -0.572 52.7 -65.6 -94.9 162.6 37.2 4.7 16.0 66 72 A P S S+ 0 0 136 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.263 73.7 149.1 -56.4 120.3 39.9 4.3 13.3 67 73 A V - 0 0 50 -3,-0.1 5,-0.1 -23,-0.0 -3,-0.0 -0.963 57.6 -72.8-147.4 153.8 38.2 2.7 10.2 68 74 A K >> - 0 0 133 -2,-0.3 4,-1.0 1,-0.2 3,-0.6 -0.186 44.7-124.4 -47.5 138.5 38.9 3.0 6.5 69 75 A K H 3> S+ 0 0 125 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.596 107.9 71.6 -68.1 -8.6 37.7 6.4 5.3 70 76 A K H 3> S+ 0 0 105 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.978 98.4 49.5 -66.4 -48.7 35.5 4.7 2.7 71 77 A K H <> S+ 0 0 42 -3,-0.6 4,-1.2 1,-0.2 -2,-0.2 0.846 113.0 46.6 -55.6 -39.1 33.3 3.6 5.7 72 78 A I H X S+ 0 0 21 -4,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.886 113.0 47.3 -74.2 -39.4 33.2 7.2 7.1 73 79 A K H X S+ 0 0 29 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.816 108.4 56.0 -73.8 -22.4 32.4 8.9 3.8 74 80 A R H X S+ 0 0 25 -4,-2.1 4,-3.6 2,-0.2 5,-0.2 0.986 108.8 45.2 -65.8 -55.7 29.6 6.4 2.9 75 81 A E H X S+ 0 0 10 -4,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.817 115.4 47.4 -56.3 -38.6 27.6 7.1 6.1 76 82 A I H X S+ 0 0 1 -4,-1.4 4,-2.4 2,-0.2 -1,-0.2 0.906 112.6 49.2 -71.9 -44.0 28.1 10.8 5.8 77 83 A K H X S+ 0 0 37 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.945 113.2 48.3 -61.8 -42.3 27.1 10.7 2.1 78 84 A I H X S+ 0 0 0 -4,-3.6 4,-2.0 1,-0.2 -2,-0.2 0.930 110.1 50.0 -63.3 -46.9 24.0 8.6 3.0 79 85 A L H X S+ 0 0 3 -4,-2.4 4,-1.6 1,-0.2 12,-0.2 0.862 111.0 50.2 -60.6 -37.8 23.0 11.0 5.9 80 86 A Q H < S+ 0 0 86 -4,-2.4 3,-0.3 1,-0.2 -2,-0.2 0.933 109.7 51.1 -65.9 -40.8 23.3 14.0 3.5 81 87 A N H < S+ 0 0 24 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.858 118.5 37.5 -63.5 -37.2 21.1 12.2 0.9 82 88 A L H >< S+ 0 0 0 -4,-2.0 3,-2.9 -5,-0.2 -1,-0.2 0.634 80.8 127.8 -92.0 -14.9 18.4 11.4 3.4 83 89 A C T 3< S+ 0 0 64 -4,-1.6 7,-0.1 1,-0.3 6,-0.1 -0.101 78.1 25.4 -45.9 132.4 18.5 14.6 5.6 84 90 A G T 3 S+ 0 0 61 4,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.129 91.6 134.3 94.7 -21.3 14.9 16.0 5.8 85 91 A G S X S- 0 0 7 -3,-2.9 3,-1.9 1,-0.1 -1,-0.3 -0.222 71.6 -83.4 -59.3 150.1 13.4 12.5 5.2 86 92 A P T 3 S- 0 0 57 0, 0.0 54,-0.2 0, 0.0 -1,-0.1 -0.327 108.9 -8.9 -60.6 130.0 10.5 11.5 7.5 87 93 A N T 3 S+ 0 0 21 1,-0.2 80,-2.9 -3,-0.1 2,-0.5 0.662 96.2 141.2 55.2 19.8 11.8 10.0 10.8 88 94 A I B < -e 167 0B 3 -3,-1.9 -4,-0.3 78,-0.2 -1,-0.2 -0.812 61.6-108.7 -94.8 123.3 15.5 10.0 9.5 89 95 A V - 0 0 6 78,-2.0 2,-0.6 -2,-0.5 -4,-0.1 -0.235 37.0-120.0 -45.5 137.3 18.0 11.0 12.1 90 96 A K - 0 0 78 -7,-0.1 18,-1.9 -6,-0.1 2,-0.5 -0.774 14.1-147.2 -90.6 126.2 19.3 14.5 11.3 91 97 A L E +D 107 0A 24 -2,-0.6 16,-0.3 -12,-0.2 3,-0.1 -0.754 22.5 175.5 -84.5 117.1 23.1 14.8 10.7 92 98 A L E - 0 0 84 14,-3.4 2,-0.3 -2,-0.5 15,-0.2 0.785 54.6 -15.1 -98.0 -37.1 24.0 18.3 12.0 93 99 A D E -D 106 0A 36 13,-1.4 13,-2.7 -65,-0.1 2,-0.4 -0.965 50.2-139.2-161.3 166.7 27.7 18.7 11.7 94 100 A I E -D 105 0A 8 -2,-0.3 -66,-3.2 -68,-0.3 2,-0.3 -0.985 28.6-179.8-136.7 123.6 30.9 16.6 11.2 95 101 A V E -D 104 0A 7 9,-2.5 9,-3.2 -2,-0.4 2,-0.3 -0.873 15.3-155.7-131.4 164.8 34.0 17.5 13.3 96 102 A R E -D 103 0A 90 -68,-0.3 2,-0.5 -2,-0.3 -66,-0.4 -0.987 23.7-122.3-133.7 145.4 37.6 16.3 13.8 97 103 A D > - 0 0 63 5,-1.3 4,-2.6 -2,-0.3 5,-0.4 -0.785 27.4-138.2 -84.5 128.7 40.1 16.6 16.6 98 104 A Q T 4 S+ 0 0 155 -2,-0.5 -1,-0.2 1,-0.2 0, 0.0 0.961 95.2 49.9 -53.8 -59.5 43.1 18.4 15.2 99 105 A H T 4 S+ 0 0 189 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.0 0.867 130.8 15.2 -55.7 -43.8 45.9 16.4 16.8 100 106 A S T 4 S- 0 0 64 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.534 89.9-129.8-109.5 -9.2 44.5 12.9 15.8 101 107 A K < + 0 0 112 -4,-2.6 -3,-0.2 1,-0.2 -2,-0.1 0.879 44.1 168.4 61.9 36.1 41.9 13.7 13.1 102 108 A T - 0 0 45 -5,-0.4 -5,-1.3 -36,-0.0 -1,-0.2 -0.783 28.8-136.2 -80.7 116.6 39.4 11.6 15.0 103 109 A P E - D 0 96A 22 0, 0.0 -39,-2.6 0, 0.0 2,-0.4 -0.511 18.5-166.0 -79.6 141.2 36.1 12.3 13.3 104 110 A S E -CD 63 95A 16 -9,-3.2 -9,-2.5 -41,-0.2 2,-0.5 -0.978 11.0-145.9-122.5 135.9 32.9 12.9 15.2 105 111 A L E -CD 62 94A 1 -43,-2.9 -43,-3.3 -2,-0.4 2,-0.5 -0.900 14.5-151.0 -99.7 136.2 29.4 12.9 13.7 106 112 A I E +CD 61 93A 0 -13,-2.7 -14,-3.4 -2,-0.5 -13,-1.4 -0.929 21.3 171.9-108.8 129.3 26.9 15.3 15.3 107 113 A F E -CD 60 91A 12 -47,-2.3 -47,-2.5 -2,-0.5 -16,-0.2 -0.860 39.7 -87.2-127.5 168.7 23.2 14.5 15.2 108 114 A E - 0 0 30 -18,-1.9 2,-0.4 -2,-0.3 -49,-0.2 -0.138 53.1-112.8 -58.2 172.5 20.0 15.8 16.7 109 115 A Y - 0 0 31 -51,-0.4 2,-0.5 -50,-0.1 -1,-0.1 -0.890 24.5-161.7-115.8 138.4 19.3 14.3 20.1 110 116 A V - 0 0 11 -2,-0.4 2,-2.2 -51,-0.1 48,-0.1 -0.977 20.7-136.1-116.1 130.7 16.5 12.0 20.9 111 117 A N - 0 0 88 -2,-0.5 49,-0.4 46,-0.1 50,-0.2 -0.502 42.9-171.0 -82.4 81.2 15.4 11.5 24.5 112 118 A N - 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0 0 33 -5,-1.6 2,-0.4 -6,-0.1 -1,-0.2 -0.997 34.4-155.0-125.0 129.6 21.9 -22.1 -3.5 258 264 A E - 0 0 188 -2,-0.4 2,-0.2 -60,-0.0 6,-0.0 -0.889 26.9-119.5-103.7 136.5 23.2 -25.3 -1.9 259 265 A L - 0 0 9 -2,-0.4 -61,-0.1 1,-0.1 -60,-0.0 -0.533 35.6 -92.4 -71.1 146.8 23.6 -25.0 1.9 260 266 A D >> - 0 0 66 -2,-0.2 4,-2.9 1,-0.2 3,-0.5 -0.331 48.5-117.6 -50.8 128.9 27.0 -25.6 3.4 261 267 A P H 3> S+ 0 0 101 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.758 110.0 44.0 -41.5 -45.1 26.7 -29.3 4.0 262 268 A Q H 3> S+ 0 0 117 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.857 112.5 52.2 -74.3 -35.0 27.1 -29.2 7.9 263 269 A L H <> S+ 0 0 4 -3,-0.5 4,-2.9 2,-0.2 5,-0.2 0.972 109.2 52.7 -60.2 -48.7 24.7 -26.2 8.1 264 270 A E H X S+ 0 0 93 -4,-2.9 4,-1.8 1,-0.2 -2,-0.2 0.915 109.6 46.8 -51.3 -50.7 22.4 -28.4 6.0 265 271 A A H < S+ 0 0 81 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.901 113.1 50.5 -60.0 -43.4 22.7 -31.2 8.6 266 272 A L H < S+ 0 0 91 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.873 105.1 55.4 -61.6 -42.6 22.2 -28.8 11.4 267 273 A V H < S+ 0 0 3 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.940 84.9 171.4 -61.3 -45.0 19.0 -27.3 9.9 268 274 A G < - 0 0 31 -4,-1.8 2,-0.4 -5,-0.2 -1,-0.2 -0.450 45.6 -55.4 73.9-145.4 17.4 -30.7 9.7 269 275 A R + 0 0 191 -2,-0.2 2,-0.3 -4,-0.1 -28,-0.0 -0.986 60.4 173.7-140.1 124.1 13.8 -31.0 8.8 270 276 A H - 0 0 51 -2,-0.4 -25,-1.7 -30,-0.1 -24,-0.5 -0.993 30.2-117.9-136.7 144.0 11.1 -29.1 10.8 271 277 A S - 0 0 82 -2,-0.3 -27,-0.4 -27,-0.2 2,-0.3 -0.441 42.6 -97.2 -80.5 154.6 7.4 -28.6 10.4 272 278 A R - 0 0 107 -29,-0.2 -29,-0.2 -2,-0.1 -30,-0.1 -0.591 35.8-140.6 -68.7 130.6 6.2 -25.0 9.9 273 279 A K - 0 0 62 -31,-2.9 -1,-0.0 -2,-0.3 -3,-0.0 -0.861 18.4-125.2 -96.8 121.0 5.0 -23.7 13.3 274 280 A P > - 0 0 69 0, 0.0 3,-1.2 0, 0.0 4,-0.2 -0.275 21.8-116.5 -55.5 152.9 1.9 -21.6 12.9 275 281 A W G > S+ 0 0 9 1,-0.3 3,-1.8 2,-0.2 4,-0.2 0.845 108.0 65.5 -66.3 -36.9 2.2 -18.1 14.3 276 282 A L G > S+ 0 0 100 1,-0.3 3,-1.3 2,-0.2 -1,-0.3 0.628 81.6 80.3 -65.3 -9.7 -0.5 -18.4 17.0 277 283 A K G < S+ 0 0 159 -3,-1.2 -1,-0.3 1,-0.3 -2,-0.2 0.719 90.3 53.3 -65.4 -23.6 1.7 -21.1 18.8 278 284 A F G < S+ 0 0 49 -3,-1.8 -1,-0.3 -4,-0.2 -2,-0.2 0.424 83.5 110.5 -89.0 -7.6 3.8 -18.2 20.3 279 285 A M < + 0 0 84 -3,-1.3 2,-0.3 -4,-0.2 -58,-0.1 -0.514 41.1 161.2 -65.9 139.5 0.6 -16.6 21.6 280 286 A N >> - 0 0 81 -2,-0.1 4,-1.7 0, 0.0 3,-0.8 -0.875 56.5 -88.3-146.9 173.7 0.6 -16.8 25.4 281 287 A A T 34 S+ 0 0 85 -2,-0.3 4,-0.2 1,-0.2 -2,-0.1 0.533 122.4 57.1 -69.6 -5.5 -1.4 -14.8 28.0 282 288 A D T 34 S+ 0 0 99 2,-0.1 -1,-0.2 -61,-0.1 3,-0.1 0.768 117.9 31.9 -88.6 -31.5 1.2 -12.0 28.3 283 289 A N T X> S+ 0 0 0 -3,-0.8 3,-2.8 -62,-0.1 4,-0.7 0.589 90.3 104.1-101.3 -12.6 1.2 -11.2 24.6 284 290 A Q G >< S+ 0 0 120 -4,-1.7 3,-0.7 1,-0.3 -1,-0.1 0.743 75.1 56.5 -33.5 -50.2 -2.5 -12.1 24.0 285 291 A H G 34 S+ 0 0 103 1,-0.2 -1,-0.3 -4,-0.2 -161,-0.1 0.385 113.3 42.1 -73.9 4.1 -3.7 -8.5 23.8 286 292 A L G <4 S+ 0 0 0 -3,-2.8 -1,-0.2 -66,-0.2 -2,-0.2 0.453 93.8 78.6-124.1 -11.1 -1.2 -7.8 20.9 287 293 A V << + 0 0 5 -3,-0.7 5,-0.1 -4,-0.7 -2,-0.1 -0.081 59.2 150.4-103.9 43.6 -1.4 -10.8 18.7 288 294 A S > - 0 0 41 3,-0.1 4,-2.6 1,-0.1 5,-0.3 -0.014 61.7 -92.0 -68.9 170.9 -4.6 -10.4 16.6 289 295 A P H > S+ 0 0 109 0, 0.0 4,-2.5 0, 0.0 5,-0.1 0.813 124.8 49.3 -52.8 -41.9 -5.3 -11.6 13.0 290 296 A E H > S+ 0 0 73 2,-0.2 4,-3.2 1,-0.2 27,-0.2 0.911 110.5 51.2 -68.7 -38.7 -4.1 -8.4 11.3 291 297 A A H > S+ 0 0 0 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.934 114.0 43.5 -60.2 -50.1 -0.9 -8.5 13.3 292 298 A I H X S+ 0 0 24 -4,-2.6 4,-3.2 2,-0.2 -1,-0.2 0.924 113.9 51.1 -63.4 -40.9 -0.2 -12.1 12.3 293 299 A D H X S+ 0 0 57 -4,-2.5 4,-1.2 -5,-0.3 -2,-0.2 0.942 114.0 44.6 -65.3 -40.8 -1.2 -11.4 8.7 294 300 A F H >X S+ 0 0 0 -4,-3.2 3,-0.7 2,-0.2 4,-0.5 0.962 115.5 46.6 -63.3 -51.6 1.2 -8.4 8.6 295 301 A L H >X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.3 3,-2.3 0.950 107.4 57.8 -55.8 -48.6 4.0 -10.4 10.3 296 302 A D H 3< S+ 0 0 30 -4,-3.2 -1,-0.3 1,-0.3 -2,-0.2 0.821 105.8 50.0 -54.6 -31.6 3.5 -13.4 8.0 297 303 A K H << S+ 0 0 65 -4,-1.2 10,-1.9 -3,-0.7 -1,-0.3 0.481 112.9 47.0 -87.5 -6.3 4.1 -11.1 5.0 298 304 A L H << S+ 0 0 0 -3,-2.3 2,-1.7 -4,-0.5 -2,-0.2 0.803 104.6 60.3 -95.2 -49.2 7.3 -9.7 6.4 299 305 A L S < S+ 0 0 2 -4,-2.8 2,-0.4 -86,-0.1 -1,-0.1 -0.455 70.2 130.0 -87.0 81.3 8.9 -13.0 7.6 300 306 A R - 0 0 73 -2,-1.7 6,-0.1 -3,-0.2 -3,-0.0 -0.975 58.1-136.7-122.6 137.5 9.2 -15.0 4.3 301 307 A Y S S+ 0 0 13 -2,-0.4 2,-1.0 1,-0.1 -106,-0.2 0.881 92.7 78.3 -61.5 -43.5 12.5 -16.6 3.3 302 308 A D >> - 0 0 10 1,-0.2 3,-1.3 -108,-0.1 4,-0.8 -0.625 69.5-162.1 -68.6 109.1 12.0 -15.3 -0.2 303 309 A H T 34 S+ 0 0 2 -2,-1.0 3,-0.3 1,-0.3 -1,-0.2 0.784 88.2 65.2 -63.7 -22.7 13.0 -11.7 0.0 304 310 A Q T 34 S+ 0 0 52 1,-0.2 -1,-0.3 -301,-0.1 -300,-0.1 0.823 101.4 47.7 -68.3 -29.8 11.1 -11.1 -3.2 305 311 A E T <4 S+ 0 0 93 -3,-1.3 -1,-0.2 2,-0.0 -2,-0.2 0.520 86.8 105.3 -88.1 -15.5 7.7 -12.0 -1.6 306 312 A R S < S- 0 0 4 -4,-0.8 -8,-0.2 -3,-0.3 -9,-0.1 -0.417 82.7 -98.5 -65.6 149.1 8.1 -9.8 1.5 307 313 A L - 0 0 26 -10,-1.9 2,-0.2 -13,-0.2 -1,-0.1 -0.255 34.4-121.0 -58.9 151.0 6.1 -6.6 1.5 308 314 A T > - 0 0 21 1,-0.1 4,-2.6 -3,-0.1 5,-0.2 -0.563 29.0-107.7 -81.7 163.9 7.8 -3.4 0.4 309 315 A A H > S+ 0 0 1 1,-0.2 4,-1.6 -2,-0.2 -170,-0.2 0.878 122.2 53.3 -62.3 -39.4 7.8 -0.6 3.0 310 316 A L H > S+ 0 0 91 1,-0.2 4,-0.7 2,-0.2 3,-0.3 0.974 111.0 46.4 -64.0 -48.6 5.3 1.3 0.9 311 317 A E H >> S+ 0 0 80 1,-0.2 3,-1.4 2,-0.2 4,-0.5 0.917 107.6 56.4 -59.4 -42.2 2.9 -1.8 0.9 312 318 A A H >< S+ 0 0 0 -4,-2.6 3,-1.3 1,-0.3 6,-0.3 0.872 99.8 59.0 -59.8 -35.9 3.3 -2.4 4.6 313 319 A M H 3< S+ 0 0 22 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.696 106.0 49.5 -65.3 -24.0 2.1 1.1 5.5 314 320 A T H << S+ 0 0 89 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.450 82.0 120.4 -93.7 -1.0 -1.2 0.4 3.7 315 321 A H S X< S- 0 0 11 -3,-1.3 3,-2.0 -4,-0.5 4,-0.2 -0.345 76.3-118.4 -59.8 143.0 -1.8 -2.9 5.4 316 322 A P G > S+ 0 0 58 0, 0.0 3,-2.3 0, 0.0 4,-0.3 0.787 107.8 78.3 -53.3 -28.2 -5.1 -2.9 7.3 317 323 A Y G 3 S+ 0 0 1 1,-0.3 3,-0.3 -27,-0.2 4,-0.1 0.852 99.6 41.5 -50.2 -34.9 -3.1 -3.6 10.5 318 324 A F G X> S+ 0 0 0 -3,-2.0 4,-2.3 -6,-0.3 3,-0.5 0.268 80.0 114.5 -97.3 9.6 -2.2 0.2 10.5 319 325 A Q H <> S+ 0 0 116 -3,-2.3 4,-2.7 1,-0.2 5,-0.2 0.874 76.8 48.1 -50.9 -47.3 -5.7 1.6 9.5 320 326 A Q H 3> S+ 0 0 120 -4,-0.3 4,-2.0 -3,-0.3 -1,-0.2 0.892 110.9 52.6 -65.0 -32.7 -6.3 3.4 12.8 321 327 A V H <> S+ 0 0 3 -3,-0.5 4,-1.4 2,-0.2 -1,-0.2 0.891 110.4 47.3 -68.6 -47.1 -2.8 5.0 12.7 322 328 A R H >X S+ 0 0 65 -4,-2.3 4,-1.7 2,-0.2 3,-0.5 0.947 110.7 52.1 -60.8 -46.7 -3.5 6.2 9.2 323 329 A A H 3< S+ 0 0 55 -4,-2.7 4,-0.4 1,-0.3 -2,-0.2 0.846 108.6 51.3 -60.8 -34.4 -6.9 7.6 10.3 324 330 A A H >< S+ 0 0 56 -4,-2.0 3,-0.7 2,-0.2 -1,-0.3 0.853 106.7 54.5 -67.0 -34.7 -5.3 9.5 13.2 325 331 A E H << S+ 0 0 88 -4,-1.4 -2,-0.2 -3,-0.5 -1,-0.2 0.848 103.4 54.2 -71.1 -30.4 -2.8 11.0 10.8 326 332 A N T 3< 0 0 132 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.610 360.0 360.0 -74.7 -12.1 -5.6 12.3 8.6 327 333 A S < 0 0 161 -3,-0.7 -3,-0.1 -4,-0.4 -1,-0.1 -0.169 360.0 360.0 94.9 360.0 -6.8 13.9 11.9