==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER COMPLEX (TRANSFERASE/PEPTIDE) 18-JUN-98 2PHK . COMPND 2 MOLECULE: PHOSPHORYLASE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR E.D.LOWE,M.E.M.NOBLE,V.T.SKAMNAKI,N.G.OIKONOMAKOS,D.J.OWEN, . 284 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15043.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 198 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 16.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 86 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.1 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 0 0 2 0 1 0 2 0 0 0 0 1 0 0 0 0 2 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 . 2 2 1 0 1 1 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 . 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 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 14 A G 0 0 77 0, 0.0 4,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -86.8 41.8 -1.9 66.5 2 15 A F > + 0 0 8 2,-0.1 4,-1.4 3,-0.1 3,-0.4 0.753 360.0 49.9 -90.4 -34.0 44.0 -1.1 63.5 3 16 A Y T 4 S+ 0 0 125 1,-0.2 -1,-0.1 2,-0.2 0, 0.0 0.704 106.7 56.6 -83.0 -13.8 47.4 -2.0 65.0 4 17 A E T 4 S+ 0 0 157 1,-0.1 -1,-0.2 3,-0.0 -2,-0.1 0.629 117.4 33.6 -87.7 -13.3 46.0 -5.4 66.1 5 18 A N T 4 S+ 0 0 61 -3,-0.4 21,-2.3 1,-0.2 2,-0.3 0.596 121.2 39.5-110.5 -27.1 45.0 -6.3 62.5 6 19 A Y E < -A 25 0A 9 -4,-1.4 19,-0.2 19,-0.3 -1,-0.2 -0.940 65.3-137.8-128.9 154.2 47.7 -4.6 60.4 7 20 A E E -A 24 0A 82 17,-2.7 17,-2.4 -2,-0.3 2,-0.2 -0.962 26.7-129.2-114.8 124.8 51.5 -4.1 60.5 8 21 A P E +A 23 0A 62 0, 0.0 15,-0.2 0, 0.0 2,-0.1 -0.469 30.8 170.1 -78.9 138.4 52.8 -0.6 59.5 9 22 A K E - 0 0 69 13,-2.8 14,-0.1 1,-0.3 2,-0.0 -0.099 40.3 -24.8-119.7-140.3 55.6 -0.2 57.0 10 23 A E E - 0 0 92 1,-0.1 12,-2.4 11,-0.1 2,-0.5 -0.207 63.3 -95.2 -81.0 165.6 57.1 2.8 55.1 11 24 A I E +A 21 0A 81 10,-0.2 10,-0.3 1,-0.2 -1,-0.1 -0.644 36.1 173.9 -79.2 120.3 55.8 6.3 54.2 12 25 A L E - 0 0 77 8,-3.0 2,-0.3 -2,-0.5 9,-0.2 0.621 67.1 -12.5 -97.2 -21.5 54.4 6.3 50.6 13 26 A G E -A 20 0A 18 7,-1.7 7,-3.0 2,-0.0 2,-0.3 -0.983 56.8-140.3-172.0 165.9 53.1 9.8 50.8 14 27 A R E -A 19 0A 163 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.998 13.2-175.2-144.7 143.3 52.2 12.8 52.9 15 28 A G - 0 0 29 3,-3.9 266,-0.1 -2,-0.3 -2,-0.0 -0.548 45.5 -89.1-123.3-170.6 49.4 15.4 53.1 16 29 A V S S+ 0 0 105 1,-0.2 -1,-0.1 -2,-0.2 267,-0.0 0.941 127.1 9.0 -69.4 -46.2 48.4 18.5 55.1 17 30 A S S S+ 0 0 54 24,-0.0 21,-1.7 -3,-0.0 2,-0.3 0.073 126.7 63.5-122.0 27.0 46.6 16.5 57.7 18 31 A S E - B 0 37A 15 19,-0.2 -3,-3.9 2,-0.0 2,-0.4 -0.995 52.8-154.3-153.6 154.9 47.6 12.9 56.7 19 32 A V E -AB 14 36A 28 17,-1.7 17,-3.4 -2,-0.3 2,-0.5 -0.996 17.5-151.2-125.9 130.3 50.4 10.4 56.2 20 33 A V E +AB 13 35A 39 -7,-3.0 -8,-3.0 -2,-0.4 -7,-1.7 -0.929 22.6 176.1-106.1 121.5 50.1 7.5 53.8 21 34 A R E -AB 11 34A 84 13,-2.2 13,-2.9 -2,-0.5 -10,-0.2 -0.888 33.5-112.9-125.4 159.2 52.0 4.2 54.6 22 35 A R E - B 0 33A 64 -12,-2.4 -13,-2.8 -2,-0.3 2,-0.3 -0.604 42.2-177.6 -83.9 138.9 52.4 0.7 53.2 23 36 A C E -AB 8 32A 0 9,-2.6 9,-3.1 -15,-0.2 2,-0.4 -0.998 24.5-134.8-144.0 147.9 51.0 -2.0 55.6 24 37 A I E -AB 7 31A 25 -17,-2.4 -17,-2.7 -2,-0.3 2,-0.6 -0.859 23.4-128.3 -99.3 130.5 50.7 -5.8 55.8 25 38 A H E > -A 6 0A 35 5,-3.4 4,-2.1 -2,-0.4 5,-0.4 -0.687 18.4-144.7 -77.2 119.1 47.3 -7.3 56.8 26 39 A K T 4 S+ 0 0 107 -21,-2.3 -1,-0.2 -2,-0.6 -20,-0.1 0.915 90.6 46.0 -51.4 -55.4 48.2 -9.7 59.7 27 40 A P T 4 S+ 0 0 86 0, 0.0 -1,-0.2 0, 0.0 -21,-0.1 0.861 127.0 23.4 -56.7 -47.8 45.7 -12.5 58.9 28 41 A T T 4 S- 0 0 74 -3,-0.2 -2,-0.2 2,-0.1 3,-0.1 0.496 93.1-129.8-100.5 -12.9 46.2 -12.9 55.1 29 42 A C < + 0 0 105 -4,-2.1 2,-0.2 1,-0.2 -3,-0.1 0.715 59.6 140.6 65.2 26.6 49.7 -11.5 54.8 30 43 A K - 0 0 127 -5,-0.4 -5,-3.4 1,-0.0 2,-0.4 -0.625 50.1-117.3 -97.9 155.8 48.6 -9.1 51.9 31 44 A E E +B 24 0A 72 -7,-0.2 61,-0.6 -2,-0.2 2,-0.3 -0.743 35.3 166.5-102.3 137.5 49.8 -5.6 51.4 32 45 A Y E -BC 23 91A 27 -9,-3.1 -9,-2.6 -2,-0.4 2,-0.4 -0.863 33.7-113.0-134.9 173.2 47.7 -2.4 51.5 33 46 A A E -BC 22 90A 11 57,-2.4 57,-3.7 -2,-0.3 2,-0.5 -0.950 28.2-161.4-114.8 129.1 48.0 1.4 51.7 34 47 A V E -BC 21 89A 2 -13,-2.9 -13,-2.2 -2,-0.4 2,-0.7 -0.930 9.5-153.1-120.3 123.2 46.8 3.2 54.8 35 48 A K E -BC 20 88A 26 53,-1.9 53,-2.0 -2,-0.5 2,-0.8 -0.810 12.2-157.9 -89.9 114.1 45.9 6.9 55.1 36 49 A I E -BC 19 87A 23 -17,-3.4 -17,-1.7 -2,-0.7 2,-0.6 -0.855 10.6-166.8 -97.8 109.5 46.4 8.1 58.7 37 50 A I E -BC 18 86A 5 49,-2.6 49,-1.8 -2,-0.8 2,-0.8 -0.847 11.1-151.3-101.8 126.6 44.4 11.3 59.3 38 51 A D E > + C 0 85A 32 -21,-1.7 3,-0.8 -2,-0.6 4,-0.3 -0.772 15.3 177.6 -95.6 102.5 44.9 13.4 62.4 39 52 A V T 3 S+ 0 0 4 45,-1.9 14,-0.2 -2,-0.8 15,-0.2 0.710 76.1 68.7 -78.3 -18.8 41.7 15.2 63.3 40 53 A T T 3 >S- 0 0 34 44,-0.9 5,-1.3 2,-0.1 -1,-0.2 0.560 114.6-109.6 -78.6 -8.1 43.3 16.8 66.4 41 54 A G T X 5 - 0 0 18 -3,-0.8 3,-0.6 43,-0.2 -2,-0.1 0.977 58.2 -64.4 78.7 63.8 45.5 19.0 64.2 42 55 A G T 3 5S- 0 0 47 -4,-0.3 3,-0.2 1,-0.3 -2,-0.1 -0.529 125.2 -8.0 61.8-122.3 49.0 17.6 64.6 43 56 A G T 3 5S- 0 0 73 1,-0.2 2,-0.3 -2,-0.1 -1,-0.3 0.972 135.5 -5.9 -65.1 -68.3 49.5 18.4 68.3 44 57 A S T < 5 + 0 0 106 -3,-0.6 -1,-0.2 6,-0.0 -3,-0.2 -0.912 52.2 164.0-150.8 128.5 46.4 20.5 69.1 45 58 A F < - 0 0 82 -5,-1.3 2,-0.1 -2,-0.3 -4,-0.0 -0.513 45.3 -89.7-113.2-179.4 43.4 22.2 67.6 46 59 A S > - 0 0 54 -2,-0.2 4,-2.4 1,-0.1 5,-0.2 -0.464 37.9-107.6 -89.1 169.7 40.1 23.5 69.1 47 60 A A H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.919 122.7 50.8 -65.1 -41.1 37.0 21.4 69.6 48 61 A E H > S+ 0 0 151 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.954 111.4 47.6 -54.9 -53.7 35.3 23.3 66.8 49 62 A E H > S+ 0 0 85 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.896 111.0 51.6 -57.1 -43.7 38.3 22.7 64.5 50 63 A V H X S+ 0 0 24 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.925 109.3 49.5 -61.1 -46.5 38.4 19.0 65.4 51 64 A Q H X S+ 0 0 85 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.841 108.5 53.6 -64.6 -35.2 34.7 18.5 64.6 52 65 A E H X S+ 0 0 116 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.907 113.2 43.3 -64.1 -42.5 35.1 20.3 61.3 53 66 A L H X S+ 0 0 30 -4,-2.0 4,-2.2 -14,-0.2 -2,-0.2 0.889 112.4 52.2 -72.8 -34.6 37.9 17.9 60.4 54 67 A R H X S+ 0 0 84 -4,-2.7 4,-1.5 2,-0.2 -2,-0.2 0.846 112.2 47.0 -68.3 -32.4 36.0 14.8 61.7 55 68 A E H X S+ 0 0 123 -4,-1.9 4,-1.4 2,-0.2 -2,-0.2 0.874 110.1 52.1 -80.9 -27.9 33.0 15.8 59.6 56 69 A A H X S+ 0 0 29 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.925 109.9 50.0 -70.0 -40.9 35.2 16.4 56.5 57 70 A T H X S+ 0 0 4 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.902 107.4 52.8 -64.3 -41.3 36.7 12.9 56.9 58 71 A L H X S+ 0 0 69 -4,-1.5 4,-1.7 1,-0.2 -1,-0.2 0.814 108.4 50.9 -66.9 -31.0 33.3 11.2 57.2 59 72 A K H X S+ 0 0 92 -4,-1.4 4,-2.2 2,-0.2 5,-0.2 0.875 107.1 54.7 -72.2 -36.4 32.1 12.8 54.0 60 73 A E H X S+ 0 0 13 -4,-1.8 4,-2.2 2,-0.2 3,-0.3 0.982 110.1 45.8 -57.9 -51.8 35.3 11.5 52.3 61 74 A V H X S+ 0 0 8 -4,-2.3 4,-1.8 1,-0.2 -1,-0.2 0.874 109.9 56.4 -59.1 -40.7 34.5 8.0 53.4 62 75 A D H X S+ 0 0 67 -4,-1.7 4,-2.1 2,-0.2 -1,-0.2 0.913 108.5 44.3 -57.9 -48.7 30.9 8.4 52.3 63 76 A I H X S+ 0 0 2 -4,-2.2 4,-2.8 -3,-0.3 5,-0.2 0.899 110.2 56.9 -64.8 -39.9 31.8 9.3 48.7 64 77 A L H < S+ 0 0 4 -4,-2.2 4,-0.4 -5,-0.2 12,-0.3 0.854 109.2 46.0 -58.5 -37.8 34.3 6.5 48.6 65 78 A R H >< S+ 0 0 158 -4,-1.8 3,-0.5 -5,-0.2 -2,-0.2 0.899 112.4 50.5 -74.0 -39.0 31.5 4.0 49.5 66 79 A K H 3< S+ 0 0 92 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.917 114.9 41.5 -65.6 -43.5 29.1 5.5 46.9 67 80 A V T >< S+ 0 0 9 -4,-2.8 3,-1.5 -5,-0.1 -1,-0.2 0.470 86.6 128.9 -86.7 -0.9 31.6 5.4 44.0 68 81 A S T < + 0 0 54 -3,-0.5 7,-0.1 -4,-0.4 -3,-0.1 -0.140 58.6 40.3 -52.1 146.2 32.9 1.9 45.0 69 82 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.2 4,-0.2 6,-0.1 0.052 74.5 126.8 102.5 -29.4 33.0 -0.6 42.2 70 83 A H X - 0 0 53 -3,-1.5 3,-1.3 1,-0.1 -1,-0.3 -0.470 59.5-136.7 -65.0 133.7 34.2 1.6 39.3 71 84 A P T 3 S+ 0 0 89 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.709 100.2 45.6 -65.3 -23.3 37.2 -0.1 37.6 72 85 A N T 3 S+ 0 0 28 79,-0.1 80,-2.6 47,-0.1 2,-0.3 0.070 99.0 81.5-109.6 21.9 39.2 3.2 37.3 73 86 A I B < S-e 152 0B 8 -3,-1.3 80,-0.2 78,-0.3 -4,-0.2 -0.955 88.0-101.6-119.7 144.3 38.6 4.5 40.9 74 87 A I - 0 0 5 78,-3.0 2,-0.5 -2,-0.3 -4,-0.1 -0.260 35.1-125.4 -61.6 152.5 40.5 3.4 44.0 75 88 A Q - 0 0 74 -7,-0.1 16,-1.1 -6,-0.1 2,-0.5 -0.888 9.5-146.7-107.9 121.4 38.8 0.9 46.3 76 89 A L E +D 90 0A 23 -2,-0.5 14,-0.2 -12,-0.3 3,-0.1 -0.718 19.5 177.2 -84.2 123.8 38.3 1.6 50.1 77 90 A K E - 0 0 101 12,-3.1 2,-0.3 -2,-0.5 13,-0.2 0.796 57.5 -4.4 -97.2 -36.0 38.6 -1.7 52.0 78 91 A D E -D 89 0A 55 11,-1.2 11,-3.0 2,-0.0 -1,-0.3 -0.935 53.7-155.6-167.5 134.5 38.3 -0.9 55.7 79 92 A T E -D 88 0A 35 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.737 8.3-175.6-118.9 148.9 38.0 2.2 58.0 80 93 A Y E -D 87 0A 47 7,-1.3 7,-3.0 -2,-0.3 2,-0.4 -0.974 7.0-161.7-140.2 145.8 38.9 2.6 61.7 81 94 A E E +D 86 0A 101 -2,-0.3 2,-0.2 5,-0.2 5,-0.2 -0.991 13.2 166.2-135.7 141.2 38.4 5.6 64.1 82 95 A T - 0 0 74 3,-2.7 -2,-0.0 -2,-0.4 5,-0.0 -0.753 54.2 -87.2-131.1-174.3 39.7 6.9 67.5 83 96 A N S S+ 0 0 158 -2,-0.2 3,-0.0 1,-0.1 -1,-0.0 0.858 125.1 18.4 -66.4 -35.8 39.6 10.2 69.4 84 97 A T S S+ 0 0 55 -45,-0.1 -45,-1.9 1,-0.1 -44,-0.9 0.808 122.7 47.2-105.3 -34.0 42.6 11.6 67.6 85 98 A F E -C 38 0A 73 -47,-0.2 -3,-2.7 -46,-0.1 2,-0.4 -0.720 51.6-157.6-113.9 159.2 43.2 9.5 64.4 86 99 A F E -CD 37 81A 6 -49,-1.8 -49,-2.6 -2,-0.3 2,-0.5 -0.993 13.4-156.8-124.6 135.9 41.2 8.0 61.4 87 100 A F E -CD 36 80A 13 -7,-3.0 -7,-1.3 -2,-0.4 2,-0.6 -0.954 8.7-175.4-116.4 113.2 42.6 5.0 59.5 88 101 A L E -CD 35 79A 0 -53,-2.0 -53,-1.9 -2,-0.5 2,-0.5 -0.874 12.7-153.9-112.5 108.8 41.5 4.4 55.9 89 102 A V E +CD 34 78A 0 -11,-3.0 -12,-3.1 -2,-0.6 -11,-1.2 -0.633 20.3 175.1 -85.4 119.8 42.7 1.2 54.3 90 103 A F E -CD 33 76A 16 -57,-3.7 -57,-2.4 -2,-0.5 -14,-0.2 -0.670 39.3 -84.9-121.4 169.0 43.1 1.1 50.5 91 104 A D E -C 32 0A 47 -16,-1.1 2,-0.4 -2,-0.2 -59,-0.2 -0.542 53.7-113.5 -69.5 140.0 44.3 -1.2 47.7 92 105 A L - 0 0 28 -61,-0.6 2,-0.7 -2,-0.1 -1,-0.1 -0.613 22.6-157.2 -82.2 129.2 48.1 -0.7 47.2 93 106 A M > - 0 0 31 -2,-0.4 3,-1.2 1,-0.1 51,-0.1 -0.867 6.4-171.2-107.9 102.5 49.3 0.8 44.0 94 107 A K T 3 S+ 0 0 123 -2,-0.7 -1,-0.1 1,-0.3 51,-0.1 0.748 80.3 55.3 -64.1 -30.2 52.9 -0.2 43.4 95 108 A K T 3 S- 0 0 112 49,-0.8 -1,-0.3 1,-0.2 6,-0.1 0.380 97.3-150.6 -92.2 9.1 53.7 2.1 40.4 96 109 A G < - 0 0 19 -3,-1.2 48,-2.3 48,-0.2 -1,-0.2 -0.279 36.0 -16.4 67.1-142.7 52.7 5.2 42.3 97 110 A E B > -F 143 0B 19 46,-0.2 4,-1.9 1,-0.1 3,-0.3 -0.528 51.6-115.6-102.2 168.9 51.2 8.4 40.8 98 111 A L H > S+ 0 0 1 44,-1.9 4,-2.5 41,-1.1 42,-0.2 0.775 115.4 62.1 -70.8 -24.8 50.9 10.0 37.4 99 112 A F H > S+ 0 0 65 40,-1.0 4,-1.8 43,-0.2 -1,-0.2 0.884 104.2 45.6 -65.7 -42.5 53.1 12.8 38.7 100 113 A D H > S+ 0 0 66 -3,-0.3 4,-1.4 39,-0.2 -2,-0.2 0.927 113.3 51.1 -69.0 -41.2 56.0 10.4 39.4 101 114 A Y H >X S+ 0 0 42 -4,-1.9 4,-1.9 1,-0.2 3,-0.6 0.940 109.1 50.1 -58.5 -49.6 55.5 8.9 35.9 102 115 A L H 3X S+ 0 0 14 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.916 105.9 57.5 -58.5 -41.1 55.6 12.3 34.2 103 116 A T H 3< S+ 0 0 97 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.830 108.7 45.0 -59.4 -36.5 58.8 13.2 36.1 104 117 A E H << S+ 0 0 164 -4,-1.4 -1,-0.2 -3,-0.6 -2,-0.2 0.846 122.3 35.6 -78.4 -36.0 60.7 10.2 34.6 105 118 A K H < S- 0 0 110 -4,-1.9 2,-2.9 -5,-0.2 -2,-0.2 0.490 88.6-152.9 -96.0 -5.1 59.4 10.7 31.1 106 119 A V S < S+ 0 0 101 -4,-1.9 2,-0.3 -5,-0.2 -1,-0.1 -0.284 74.7 15.7 65.4 -62.6 59.4 14.5 31.1 107 120 A T S S- 0 0 59 -2,-2.9 2,-0.3 -3,-0.1 103,-0.2 -0.907 75.7-135.9-132.4 159.7 56.6 14.7 28.5 108 121 A L - 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0 0 71 24,-0.1 2,-0.7 1,-0.1 15,-0.1 -0.383 64.2-128.8 -77.0 151.8 34.7 27.8 49.7 170 183 A V + 0 0 18 -2,-0.1 115,-2.1 14,-0.1 2,-0.3 -0.886 52.6 131.9-104.0 106.7 38.2 28.4 48.3 171 184 A C E +J 284 0E 1 -2,-0.7 2,-0.3 113,-0.2 113,-0.2 -0.981 18.3 77.2-151.0 157.5 40.1 25.0 48.3 172 185 A G E S-J 283 0E 4 111,-1.2 111,-2.0 -2,-0.3 -36,-0.1 -0.974 83.1 -47.1 142.4-153.7 42.2 22.9 45.9 173 186 A T >> - 0 0 2 -2,-0.3 3,-1.4 109,-0.2 4,-0.7 -0.952 55.7-120.6-119.7 129.3 45.9 23.0 44.7 174 187 A P G >4 S+ 0 0 20 0, 0.0 3,-0.9 0, 0.0 -1,-0.1 0.861 104.6 44.7 -46.2 -52.0 47.0 26.4 43.5 175 188 A S G 34 S+ 0 0 7 1,-0.2 41,-0.2 -3,-0.1 -3,-0.0 0.603 115.6 47.8 -76.0 -3.1 48.0 25.8 39.9 176 189 A Y G <4 S+ 0 0 16 -3,-1.4 -1,-0.2 2,-0.1 2,-0.2 0.429 82.2 125.4-111.1 -2.9 44.9 23.7 39.1 177 190 A L << - 0 0 12 -3,-0.9 -5,-0.1 -4,-0.7 -41,-0.0 -0.398 59.4-126.6 -61.5 128.2 42.3 26.1 40.6 178 191 A A >> - 0 0 1 -2,-0.2 4,-1.4 1,-0.1 3,-0.8 -0.288 21.3-116.6 -69.8 160.0 39.5 27.2 38.3 179 192 A P H 3> S+ 0 0 3 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.739 109.9 63.9 -70.8 -21.7 38.9 31.0 38.0 180 193 A E H 3> S+ 0 0 21 2,-0.2 4,-1.4 3,-0.2 12,-0.1 0.742 101.6 49.8 -74.4 -25.3 35.4 30.8 39.6 181 194 A I H <> S+ 0 0 6 -3,-0.8 4,-1.1 2,-0.2 -1,-0.2 0.941 113.3 46.0 -79.4 -39.1 36.8 29.7 42.9 182 195 A I H < S+ 0 0 16 -4,-1.4 4,-0.5 1,-0.2 3,-0.3 0.849 111.1 53.2 -67.0 -33.5 39.4 32.5 42.8 183 196 A E H >X S+ 0 0 68 -4,-2.0 3,-1.4 1,-0.2 4,-1.1 0.905 102.2 60.4 -66.9 -38.1 36.6 34.9 41.8 184 197 A C H 3< S+ 0 0 14 -4,-1.4 -1,-0.2 1,-0.3 6,-0.2 0.809 101.2 53.6 -56.4 -36.0 34.6 33.7 44.9 185 198 A S T 3< S+ 0 0 64 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.597 109.3 46.1 -78.4 -15.3 37.4 34.9 47.2 186 199 A M T <4 S+ 0 0 130 -3,-1.4 2,-0.4 -4,-0.5 -2,-0.2 0.577 116.1 42.0-103.9 -11.8 37.5 38.5 45.9 187 200 A N >< - 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0 0 26 0, 0.0 3,-1.1 0, 0.0 -9,-0.1 -0.391 33.3-122.8 -68.5 145.6 51.5 23.6 33.6 215 228 A P T 3 S+ 0 0 13 0, 0.0 19,-0.3 0, 0.0 -11,-0.0 0.733 107.8 39.0 -58.8 -36.8 49.8 26.3 31.5 216 229 A F T 3 S+ 0 0 2 -41,-0.2 2,-0.5 17,-0.1 12,-0.1 -0.302 78.6 150.3-114.0 49.6 49.9 29.0 34.1 217 230 A W < + 0 0 153 -3,-1.1 2,-0.3 2,-0.0 -4,-0.0 -0.716 13.6 152.2 -86.7 109.8 53.3 28.4 35.7 218 231 A H - 0 0 61 -2,-0.5 6,-0.1 1,-0.1 -2,-0.0 -0.995 48.3-127.4-142.3 149.7 54.9 31.6 37.1 219 232 A R S S+ 0 0 252 -2,-0.3 2,-0.6 1,-0.1 -1,-0.1 0.889 96.2 59.6 -63.8 -46.1 57.4 32.5 40.0 220 233 A K S > S- 0 0 163 1,-0.1 4,-1.8 2,-0.0 3,-0.5 -0.801 74.0-150.0 -90.6 123.6 55.3 35.1 41.7 221 234 A Q H > S+ 0 0 119 -2,-0.6 4,-2.3 1,-0.2 5,-0.2 0.852 92.5 61.7 -62.4 -37.3 51.9 33.8 42.9 222 235 A M H > S+ 0 0 119 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.895 109.4 41.1 -56.4 -44.9 50.1 37.1 42.5 223 236 A L H > S+ 0 0 80 -3,-0.5 4,-2.4 2,-0.2 -1,-0.2 0.865 109.8 58.7 -75.5 -32.1 50.8 37.1 38.8 224 237 A M H X S+ 0 0 7 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.916 108.4 46.6 -59.0 -44.1 50.0 33.4 38.4 225 238 A L H X S+ 0 0 41 -4,-2.3 4,-2.2 2,-0.2 -1,-0.2 0.864 111.8 49.7 -67.7 -36.6 46.5 34.1 39.8 226 239 A R H X S+ 0 0 170 -4,-1.5 4,-1.6 -5,-0.2 6,-0.2 0.853 110.8 51.7 -68.9 -34.9 46.0 37.1 37.5 227 240 A M H X>S+ 0 0 33 -4,-2.4 5,-2.2 2,-0.2 4,-0.9 0.891 112.2 44.0 -69.2 -41.2 47.1 34.9 34.6 228 241 A I H <5S+ 0 0 1 -4,-2.1 3,-0.2 3,-0.2 -2,-0.2 0.902 111.7 54.7 -72.2 -38.4 44.6 32.1 35.4 229 242 A M H <5S+ 0 0 42 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.843 116.8 36.0 -62.7 -36.4 41.9 34.7 36.1 230 243 A S H <5S- 0 0 78 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.542 109.4-122.1 -92.1 -13.1 42.3 36.3 32.6 231 244 A G T <5 + 0 0 17 -4,-0.9 2,-0.9 -3,-0.2 -3,-0.2 0.772 48.6 168.4 74.3 29.9 43.1 32.9 30.9 232 245 A N < + 0 0 89 -5,-2.2 2,-0.3 -6,-0.2 -1,-0.2 -0.637 21.1 119.3 -82.8 106.4 46.5 34.1 29.7 233 246 A Y - 0 0 48 -2,-0.9 2,-0.3 -3,-0.1 -17,-0.1 -0.917 37.8-159.8-153.1 171.3 48.4 31.1 28.4 234 247 A Q - 0 0 135 -19,-0.3 2,-0.9 -2,-0.3 -2,-0.0 -0.989 30.5-122.3-159.0 160.2 49.9 29.9 25.1 235 248 A F - 0 0 62 -2,-0.3 13,-0.0 4,-0.0 -2,-0.0 -0.719 63.3-177.9-102.1 73.8 51.1 26.9 23.1 236 249 A G > - 0 0 16 -2,-0.9 4,-1.0 3,-0.0 5,-0.3 0.332 19.1 -17.7 -76.4-168.8 54.6 28.4 22.6 237 250 A S T 4 S- 0 0 95 1,-0.2 4,-0.1 2,-0.1 -2,-0.0 0.418 110.4 -34.5 9.9-125.5 58.1 28.2 21.1 238 251 A P T >4 S+ 0 0 78 0, 0.0 3,-1.6 0, 0.0 4,-0.4 0.736 117.4 87.1 -89.9 -24.0 59.2 24.7 19.9 239 252 A E G >4 S+ 0 0 107 1,-0.3 3,-0.6 2,-0.1 4,-0.2 0.848 94.6 34.4 -43.3 -60.8 57.3 22.6 22.6 240 253 A W G >< S+ 0 0 4 -4,-1.0 3,-1.1 1,-0.2 -1,-0.3 0.464 90.1 100.9 -82.5 4.8 53.9 22.2 21.0 241 254 A D G < S+ 0 0 113 -3,-1.6 -1,-0.2 -5,-0.3 -2,-0.1 0.770 77.7 52.6 -57.6 -38.4 55.2 22.0 17.4 242 255 A D G < S+ 0 0 157 -3,-0.6 -1,-0.2 -4,-0.4 2,-0.2 0.708 94.3 92.1 -74.0 -21.2 55.0 18.2 17.0 243 256 A Y S < S- 0 0 33 -3,-1.1 -134,-0.0 -4,-0.2 -3,-0.0 -0.475 76.3-113.5 -84.2 144.7 51.4 18.0 18.1 244 257 A S > - 0 0 44 -2,-0.2 4,-0.8 1,-0.1 -1,-0.1 0.011 24.0-114.6 -65.0 174.0 48.2 18.1 15.9 245 258 A D H > S+ 0 0 123 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.628 110.1 65.1 -87.5 -15.3 45.6 20.9 15.8 246 259 A T H > S+ 0 0 56 2,-0.2 4,-2.0 1,-0.2 27,-0.2 0.885 100.8 47.4 -74.9 -39.6 42.9 18.6 17.2 247 260 A V H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.896 112.7 50.6 -65.6 -43.5 44.6 18.1 20.6 248 261 A K H X S+ 0 0 49 -4,-0.8 4,-2.1 2,-0.2 -1,-0.2 0.814 108.0 52.8 -64.2 -33.5 45.2 21.8 20.9 249 262 A D H X S+ 0 0 47 -4,-1.2 4,-1.1 2,-0.2 -2,-0.2 0.921 110.3 48.1 -68.8 -43.1 41.5 22.5 20.1 250 263 A L H >X S+ 0 0 0 -4,-2.0 3,-0.9 2,-0.2 4,-0.8 0.951 110.9 49.7 -64.4 -48.1 40.5 20.1 22.9 251 264 A V H >X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 3,-1.5 0.928 108.9 53.3 -58.1 -43.5 42.8 21.6 25.4 252 265 A S H 3< S+ 0 0 38 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.739 101.7 58.7 -66.9 -19.2 41.6 25.2 24.6 253 266 A R H << S+ 0 0 118 -4,-1.1 10,-1.9 -3,-0.9 3,-0.3 0.679 108.5 46.6 -79.1 -17.1 37.9 24.1 25.1 254 267 A F H << S+ 0 0 0 -3,-1.5 2,-1.7 -4,-0.8 -2,-0.2 0.865 103.6 63.4 -87.0 -38.0 38.9 23.2 28.7 255 268 A L S < S+ 0 0 10 -4,-1.9 2,-0.4 -52,-0.1 -1,-0.2 -0.258 72.8 130.7 -88.5 56.4 40.8 26.4 29.4 256 269 A V - 0 0 40 -2,-1.7 6,-0.1 -3,-0.3 -25,-0.1 -0.924 50.5-148.6-111.1 127.5 37.8 28.7 29.0 257 270 A V S S+ 0 0 52 -2,-0.4 -1,-0.1 -27,-0.1 -77,-0.1 0.882 80.4 72.8 -70.3 -41.4 37.2 31.3 31.7 258 271 A Q S >> S- 0 0 109 1,-0.2 3,-1.5 -79,-0.0 4,-0.7 -0.646 73.0-151.6 -79.0 114.7 33.4 31.5 31.6 259 272 A P G >4 S+ 0 0 22 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.798 91.2 60.1 -62.1 -28.8 32.1 28.3 33.1 260 273 A Q G 34 S+ 0 0 145 1,-0.2 -2,-0.0 -3,-0.0 -3,-0.0 0.705 109.6 43.7 -72.6 -20.3 28.8 28.2 31.1 261 274 A K G <4 S+ 0 0 161 -3,-1.5 -1,-0.2 2,-0.1 2,-0.1 0.470 91.8 109.7 -99.4 -7.3 30.9 28.1 27.9 262 275 A R S << S- 0 0 9 -4,-0.7 -8,-0.2 -3,-0.6 -9,-0.1 -0.377 76.5-101.6 -71.9 148.9 33.4 25.5 29.2 263 276 A Y - 0 0 54 -10,-1.9 2,-0.2 -13,-0.1 -1,-0.1 -0.253 32.0-141.5 -65.2 153.5 33.3 21.9 27.8 264 277 A T > - 0 0 65 1,-0.1 4,-2.1 -65,-0.0 5,-0.1 -0.631 27.6-104.5-104.1 175.1 31.7 19.1 29.8 265 278 A A H > S+ 0 0 3 -2,-0.2 4,-2.2 2,-0.2 5,-0.2 0.925 122.1 51.1 -66.0 -44.1 33.0 15.5 30.1 266 279 A E H > S+ 0 0 134 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.952 112.7 45.9 -58.1 -48.6 30.3 14.3 27.7 267 280 A E H >> S+ 0 0 95 1,-0.2 4,-0.7 2,-0.2 3,-0.6 0.864 110.0 54.3 -61.7 -38.9 31.2 16.9 25.1 268 281 A A H >< S+ 0 0 0 -4,-2.1 3,-1.0 1,-0.2 6,-0.3 0.911 105.1 53.1 -65.5 -37.4 34.9 16.2 25.5 269 282 A L H 3< S+ 0 0 51 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.661 106.5 54.8 -72.9 -15.0 34.4 12.5 24.8 270 283 A A H << S+ 0 0 64 -4,-0.7 -1,-0.2 -3,-0.6 -2,-0.2 0.627 85.0 112.6 -90.8 -14.3 32.6 13.4 21.6 271 284 A H S XX S- 0 0 6 -3,-1.0 3,-1.9 -4,-0.7 4,-1.0 -0.214 82.6-109.4 -59.2 149.3 35.4 15.6 20.2 272 285 A P T 34 S+ 0 0 52 0, 0.0 4,-0.3 0, 0.0 5,-0.1 0.711 112.0 72.1 -49.7 -26.7 37.4 14.5 17.0 273 286 A F T 34 S+ 0 0 6 -27,-0.2 3,-0.1 1,-0.2 -26,-0.1 0.870 108.9 32.1 -60.3 -38.4 40.5 13.8 19.2 274 287 A F T <4 S- 0 0 6 -3,-1.9 -1,-0.2 1,-0.3 2,-0.1 0.489 139.5 -76.8 -96.6 -6.4 38.8 10.7 20.6 275 288 A Q < - 0 0 143 -4,-1.0 -1,-0.3 1,-0.0 -2,-0.2 -0.191 44.5-174.1 123.3 153.9 37.0 10.3 17.3 276 289 A Q 0 0 122 -4,-0.3 -3,-0.1 -2,-0.1 -1,-0.0 0.491 360.0 360.0-148.0 -15.2 34.1 11.7 15.3 277 290 A Y 0 0 270 -5,-0.1 0, 0.0 0, 0.0 0, 0.0 -0.052 360.0 360.0 173.2 360.0 33.3 9.8 12.0 278 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 279 2 B R 0 0 164 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 166.1 55.5 19.6 44.8 280 3 B Q - 0 0 46 -107,-0.0 2,-0.2 -106,-0.0 -140,-0.1 -0.981 360.0-163.0-127.9 131.3 52.1 21.1 45.6 281 4 B M - 0 0 104 -2,-0.4 2,-0.2 1,-0.1 -266,-0.1 -0.517 26.8-101.8-102.1 171.6 49.7 20.4 48.5 282 5 B S - 0 0 24 -2,-0.2 2,-0.3 -109,-0.1 -109,-0.2 -0.541 38.3-167.8 -91.3 160.2 46.0 21.2 48.9 283 6 B F E -J 172 0E 62 -111,-2.0 -111,-1.2 -2,-0.2 2,-0.4 -0.946 19.2-145.3-145.5 166.5 44.7 24.0 51.0 284 7 B R E J 171 0E 113 -2,-0.3 -113,-0.2 -113,-0.2 -115,-0.0 -0.998 360.0 360.0-133.5 125.8 41.6 25.6 52.6 285 8 B L 0 0 172 -115,-2.1 -1,-0.2 -2,-0.4 -114,-0.1 0.957 360.0 360.0 -84.1 360.0 41.1 29.3 53.0