==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PHOSPHOTRANSFERASE (CARBOXYL ACCEPTOR) 04-JAN-96 1QPG . COMPND 2 MOLECULE: 3-PHOSPHOGLYCERATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR T.M.MCPHILLIPS,B.T.HSU,M.A.SHERMAN,M.T.MAS,D.C.REES . 415 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18393.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 304 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 49 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 4.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 2 0.5 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 . 36 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 50 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 120 28.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.2 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 3 0 0 2 2 1 0 2 0 1 2 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 3 4 2 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 0 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 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 1 0 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 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 1 A S > 0 0 101 0, 0.0 3,-1.4 0, 0.0 4,-0.4 0.000 360.0 360.0 360.0 128.2 39.7 -1.3 7.2 2 2 A L T 3 + 0 0 29 1,-0.3 3,-0.4 2,-0.1 193,-0.1 0.772 360.0 55.4 -60.9 -24.9 37.7 1.9 7.3 3 3 A S T 3 S+ 0 0 61 1,-0.2 -1,-0.3 189,-0.1 189,-0.1 0.513 91.0 69.1 -88.4 -8.0 40.0 3.0 4.5 4 4 A S S < S+ 0 0 35 -3,-1.4 410,-3.3 409,-0.1 -1,-0.2 0.597 74.3 115.5 -88.2 -11.8 39.5 0.2 2.0 5 5 A K B S-A 413 0A 27 -4,-0.4 408,-0.3 -3,-0.4 2,-0.1 -0.106 73.2 -93.0 -62.4 155.1 35.9 1.1 1.0 6 6 A L - 0 0 0 406,-2.8 177,-2.6 175,-0.3 2,-0.3 -0.422 38.6-146.1 -69.0 138.8 34.7 2.2 -2.4 7 7 A S B >> -b 183 0B 3 175,-0.2 3,-3.0 -2,-0.1 4,-0.7 -0.757 24.4-118.9-108.1 152.2 34.5 6.0 -3.1 8 8 A V G >4 S+ 0 0 0 175,-2.7 3,-1.2 1,-0.3 176,-0.1 0.855 115.3 68.8 -49.9 -37.1 32.1 8.1 -5.3 9 9 A Q G 34 S+ 0 0 107 174,-0.3 -1,-0.3 1,-0.3 175,-0.1 0.498 96.0 50.5 -60.1 -12.6 35.2 8.9 -7.2 10 10 A D G <4 S+ 0 0 74 -3,-3.0 -1,-0.3 2,-0.0 -2,-0.2 0.599 90.1 102.5-101.7 -18.5 35.5 5.2 -8.4 11 11 A L << - 0 0 11 -3,-1.2 2,-0.9 -4,-0.7 146,-0.0 -0.338 69.5-134.5 -71.5 147.2 31.9 5.0 -9.7 12 12 A D + 0 0 119 1,-0.1 -1,-0.1 -2,-0.1 -3,-0.0 -0.907 33.1 171.3-100.0 105.0 30.8 5.2 -13.4 13 13 A L > + 0 0 1 -2,-0.9 3,-2.9 -5,-0.1 42,-0.3 0.668 24.5 127.9 -94.0 -17.6 27.9 7.6 -13.0 14 14 A K T 3 S- 0 0 122 1,-0.3 39,-0.2 40,-0.1 3,-0.1 -0.096 92.4 -11.7 -49.4 126.6 27.0 8.4 -16.6 15 15 A D T 3 S+ 0 0 101 38,-2.6 -1,-0.3 37,-0.3 2,-0.2 0.682 105.8 137.5 55.1 23.2 23.3 7.8 -17.3 16 16 A K < - 0 0 87 -3,-2.9 39,-1.9 37,-0.1 40,-1.2 -0.615 62.9-119.8 -98.2 154.9 23.1 6.0 -14.0 17 17 A R E -c 56 0B 76 -2,-0.2 139,-3.3 38,-0.2 140,-1.9 -0.840 39.5-164.6 -94.0 96.7 20.3 6.3 -11.4 18 18 A V E -cd 57 157B 0 38,-1.9 40,-2.7 -2,-1.0 2,-0.4 -0.673 11.0-165.6 -87.4 137.5 22.3 7.6 -8.4 19 19 A F E -cd 58 158B 0 138,-1.3 140,-2.8 -2,-0.3 2,-0.4 -0.991 5.1-170.3-123.4 131.1 20.8 7.5 -4.9 20 20 A I E -cd 59 159B 0 38,-2.7 40,-2.2 -2,-0.4 2,-0.8 -0.992 14.1-153.4-127.2 119.8 22.6 9.5 -2.2 21 21 A R E -cd 60 160B 0 138,-2.2 140,-2.7 -2,-0.4 141,-0.3 -0.891 31.9-178.8 -91.5 114.5 21.7 9.2 1.6 22 22 A V - 0 0 0 38,-2.6 2,-0.9 -2,-0.8 40,-0.3 -0.697 35.6-114.7-115.4 165.5 22.6 12.6 2.9 23 23 A D + 0 0 18 138,-0.4 19,-0.2 -2,-0.2 18,-0.1 -0.789 48.1 149.5-102.5 88.2 22.6 14.3 6.3 24 24 A F + 0 0 0 -2,-0.9 2,-1.6 38,-0.3 -1,-0.1 -0.242 22.0 135.2-107.8 39.1 20.1 17.1 5.9 25 25 A N + 0 0 42 38,-0.1 38,-0.1 13,-0.1 -1,-0.1 -0.481 33.3 164.1 -86.9 65.4 19.1 16.9 9.6 26 26 A V - 0 0 4 -2,-1.6 2,-0.2 1,-0.1 10,-0.1 -0.530 43.3-100.1 -86.7 153.9 19.2 20.7 10.0 27 27 A P - 0 0 61 0, 0.0 7,-1.8 0, 0.0 8,-0.9 -0.513 39.7-166.4 -73.4 129.8 17.6 22.7 12.9 28 28 A L B -H 33 0C 37 5,-0.3 2,-0.4 -2,-0.2 5,-0.2 -0.861 13.1-169.6-117.6 152.5 14.3 24.3 12.1 29 29 A D S S- 0 0 126 3,-1.7 0, 0.0 -2,-0.3 0, 0.0 -0.932 83.4 -14.4-142.6 109.7 12.4 26.9 14.1 30 30 A G S S- 0 0 67 -2,-0.4 3,-0.1 1,-0.2 -1,-0.0 0.927 133.4 -49.4 60.1 44.7 8.9 27.5 12.9 31 31 A K S S+ 0 0 83 42,-0.2 2,-0.3 1,-0.2 -1,-0.2 0.880 117.2 111.8 60.3 40.8 9.6 25.6 9.8 32 32 A K S S- 0 0 92 46,-0.0 -3,-1.7 47,-0.0 2,-0.7 -0.957 72.1-111.0-150.7 129.3 12.8 27.5 9.0 33 33 A I B -H 28 0C 29 -2,-0.3 -5,-0.3 -5,-0.2 3,-0.2 -0.418 24.2-177.5 -61.3 102.7 16.4 26.5 8.9 34 34 A T S S+ 0 0 92 -7,-1.8 2,-0.4 -2,-0.7 -1,-0.2 0.788 82.1 25.6 -69.7 -28.3 18.3 28.1 11.7 35 35 A S + 0 0 50 -8,-0.9 3,-0.3 1,-0.1 -1,-0.3 -0.944 54.3 179.9-143.2 120.4 21.5 26.5 10.4 36 36 A N > + 0 0 55 -2,-0.4 4,-2.6 -3,-0.2 3,-0.5 0.198 52.1 115.5-100.6 14.8 22.1 25.3 6.8 37 37 A Q H > S+ 0 0 90 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.932 75.9 49.5 -49.6 -51.2 25.6 24.0 7.7 38 38 A R H > S+ 0 0 87 -3,-0.3 4,-1.3 2,-0.2 -1,-0.2 0.801 109.4 49.9 -60.5 -35.0 24.6 20.5 6.9 39 39 A I H >> S+ 0 0 0 -3,-0.5 3,-0.6 2,-0.2 4,-0.6 0.968 112.4 49.1 -68.6 -45.8 23.0 21.3 3.5 40 40 A V H >< S+ 0 0 66 -4,-2.6 3,-1.3 1,-0.2 -2,-0.2 0.889 106.6 55.8 -58.4 -44.6 26.2 23.2 2.6 41 41 A A H 3< S+ 0 0 39 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.845 103.3 56.7 -56.9 -36.5 28.5 20.3 3.7 42 42 A A H S+ 0 0 70 0, 0.0 4,-2.7 0, 0.0 -1,-0.2 0.897 108.3 44.1 -51.5 -47.6 30.5 18.5 -3.2 45 45 A T H > S+ 0 0 1 -3,-0.4 4,-2.5 2,-0.2 5,-0.2 0.975 114.9 48.7 -61.8 -55.3 29.2 15.0 -3.6 46 46 A I H X S+ 0 0 0 -4,-1.5 4,-2.3 1,-0.2 -1,-0.2 0.922 115.8 44.8 -52.1 -46.0 25.9 16.2 -5.1 47 47 A K H X S+ 0 0 96 -4,-3.4 4,-1.3 1,-0.2 -1,-0.2 0.850 110.4 52.3 -68.8 -39.2 27.9 18.4 -7.5 48 48 A Y H < S+ 0 0 51 -4,-2.7 4,-0.3 -5,-0.3 -1,-0.2 0.898 112.0 47.2 -63.3 -42.6 30.5 15.9 -8.5 49 49 A V H >< S+ 0 0 0 -4,-2.5 3,-2.7 1,-0.2 -2,-0.2 0.980 107.9 55.0 -61.6 -54.2 27.8 13.4 -9.4 50 50 A L H >< S+ 0 0 21 -4,-2.3 3,-1.3 1,-0.3 -1,-0.2 0.735 99.1 63.3 -52.1 -29.4 25.8 15.9 -11.4 51 51 A E T 3< S+ 0 0 129 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.573 95.2 59.7 -73.6 -14.3 28.9 16.6 -13.6 52 52 A H T < S- 0 0 57 -3,-2.7 -37,-0.3 -4,-0.3 -1,-0.3 0.242 112.2-118.9 -98.7 13.8 29.0 13.1 -14.8 53 53 A H < - 0 0 125 -3,-1.3 -38,-2.6 -39,-0.2 -3,-0.1 0.938 38.4-169.7 52.3 60.7 25.5 13.4 -16.3 54 54 A P - 0 0 1 0, 0.0 58,-1.5 0, 0.0 -37,-0.2 -0.297 37.1-111.7 -71.4 167.2 23.6 10.8 -14.3 55 55 A R S S- 0 0 68 -39,-1.9 58,-0.7 -42,-0.3 2,-0.3 0.865 92.2 -37.2 -65.7 -33.2 20.0 9.9 -15.5 56 56 A Y E -ce 17 113B 6 -40,-1.2 -38,-1.9 56,-0.2 2,-0.5 -0.935 55.0-122.7-179.2 165.0 19.0 11.5 -12.2 57 57 A V E -ce 18 114B 0 56,-2.5 58,-2.7 -2,-0.3 2,-0.5 -0.983 18.1-162.9-127.2 115.5 20.0 12.0 -8.6 58 58 A V E -ce 19 115B 0 -40,-2.7 -38,-2.7 -2,-0.5 2,-0.4 -0.893 8.4-163.7-100.6 125.1 17.7 11.0 -5.8 59 59 A L E +ce 20 116B 0 56,-2.9 58,-2.4 -2,-0.5 2,-0.3 -0.925 10.6 177.3-109.7 135.6 18.5 12.5 -2.3 60 60 A A E +c 21 0B 0 -40,-2.2 -38,-2.6 -2,-0.4 2,-0.3 -0.973 10.5 139.9-138.0 151.3 17.1 11.0 0.9 61 61 A S - 0 0 0 -2,-0.3 59,-2.5 57,-0.3 2,-0.3 -0.937 37.8-113.1-169.6 179.9 17.5 11.8 4.6 62 62 A H - 0 0 10 -40,-0.3 2,-0.3 -2,-0.3 -38,-0.3 -0.815 19.1-158.2-124.7 168.7 15.7 12.2 7.8 63 63 A L - 0 0 5 -2,-0.3 -38,-0.1 11,-0.2 58,-0.1 -0.967 53.9 -30.1-152.6 130.9 15.0 15.2 10.0 64 64 A G S S- 0 0 19 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 -0.148 96.4 -58.5 58.0-155.6 14.1 15.4 13.7 65 65 A Q + 0 0 133 1,-0.1 -1,-0.2 -3,-0.1 57,-0.0 -0.642 56.7 164.3-126.4 78.6 12.3 12.5 15.3 66 66 A P - 0 0 6 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 0.811 43.6-136.4 -60.2 -32.4 8.9 12.1 13.4 67 67 A N - 0 0 40 1,-0.2 57,-0.1 -3,-0.1 55,-0.1 0.886 57.9 -58.9 76.0 45.2 8.6 8.6 15.0 68 68 A G S S+ 0 0 14 53,-1.8 56,-0.6 55,-0.3 2,-0.3 0.868 116.0 102.8 53.3 42.6 7.5 6.6 11.9 69 69 A E S S- 0 0 95 52,-0.6 2,-0.9 54,-0.2 -1,-0.2 -0.982 84.8-100.2-151.6 141.5 4.4 8.8 11.5 70 70 A R + 0 0 132 -2,-0.3 2,-0.5 52,-0.1 52,-0.1 -0.579 50.1 170.1 -70.3 105.6 3.7 11.6 9.1 71 71 A N > - 0 0 48 -2,-0.9 3,-2.2 1,-0.1 -2,-0.1 -0.943 30.6-153.3-125.3 113.1 4.3 14.7 11.1 72 72 A E G > S+ 0 0 169 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.754 89.5 74.7 -52.3 -29.4 4.4 18.1 9.3 73 73 A K G 3 S+ 0 0 110 1,-0.3 -1,-0.3 -3,-0.1 -42,-0.2 0.762 102.9 39.8 -57.7 -26.9 6.7 19.5 12.0 74 74 A Y G < S+ 0 0 35 -3,-2.2 -1,-0.3 -10,-0.0 2,-0.2 -0.131 82.9 141.2-116.9 35.5 9.6 17.5 10.5 75 75 A S < - 0 0 21 -3,-1.7 4,-0.3 1,-0.1 43,-0.1 -0.499 50.1-141.4 -76.6 145.9 9.0 17.8 6.8 76 76 A L S > S+ 0 0 0 1,-0.2 4,-2.0 -2,-0.2 -1,-0.1 0.359 73.9 107.1 -87.2 4.5 12.0 18.3 4.5 77 77 A A H >> S+ 0 0 29 1,-0.2 4,-1.6 2,-0.2 3,-0.5 0.945 77.8 47.5 -50.3 -57.8 10.1 20.8 2.3 78 78 A P H 3> S+ 0 0 10 0, 0.0 4,-2.2 0, 0.0 3,-0.3 0.924 109.7 55.2 -50.5 -43.8 12.0 23.9 3.5 79 79 A V H 3> S+ 0 0 0 -4,-0.3 4,-2.2 1,-0.2 5,-0.2 0.883 101.3 58.0 -56.2 -41.1 15.3 22.0 3.0 80 80 A A H S+ 0 0 62 -4,-1.7 4,-2.1 -5,-0.2 5,-1.2 0.928 114.0 42.1 -56.4 -45.4 17.7 24.7 -4.8 85 85 A S H <5S+ 0 0 92 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.960 119.7 43.0 -63.3 -55.6 19.1 28.2 -3.9 86 86 A L H <5S+ 0 0 58 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.797 120.4 41.8 -61.7 -33.3 22.4 26.9 -2.6 87 87 A L H <5S- 0 0 20 -4,-3.3 -1,-0.2 2,-0.2 -2,-0.2 0.796 97.4-135.7 -87.8 -31.3 22.9 24.4 -5.5 88 88 A G T <5S+ 0 0 66 -4,-2.1 2,-0.3 -5,-0.4 -3,-0.2 0.926 72.5 93.8 72.9 43.0 21.7 26.7 -8.2 89 89 A K S S- 0 0 12 -2,-0.3 4,-2.6 1,-0.1 5,-0.1 -0.352 85.0 -68.1 115.1 166.7 5.2 4.3 -3.4 100 100 A P H > S+ 0 0 82 0, 0.0 4,-3.4 0, 0.0 5,-0.2 0.844 126.9 57.9 -60.4 -39.5 3.7 4.5 -7.0 101 101 A E H > S+ 0 0 150 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.926 110.7 43.1 -59.0 -46.4 3.6 8.4 -6.8 102 102 A V H > S+ 0 0 4 2,-0.2 4,-3.6 -4,-0.2 5,-0.3 0.970 114.4 50.2 -64.3 -52.1 7.4 8.4 -6.1 103 103 A E H X S+ 0 0 78 -4,-2.6 4,-2.8 1,-0.2 -2,-0.2 0.895 114.6 45.3 -50.0 -49.2 8.0 5.8 -8.8 104 104 A A H X S+ 0 0 59 -4,-3.4 4,-2.3 2,-0.2 -2,-0.2 0.976 115.5 44.5 -59.8 -59.4 6.0 7.7 -11.3 105 105 A A H < S+ 0 0 39 -4,-2.9 4,-0.5 1,-0.2 3,-0.3 0.935 115.7 48.1 -52.6 -52.1 7.5 11.1 -10.5 106 106 A V H >< S+ 0 0 0 -4,-3.6 3,-1.6 1,-0.2 -1,-0.2 0.935 111.8 50.0 -56.0 -47.7 11.0 9.7 -10.5 107 107 A K H 3< S+ 0 0 149 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.791 108.4 52.5 -62.8 -32.7 10.4 7.9 -13.8 108 108 A A T 3< S+ 0 0 88 -4,-2.3 -1,-0.3 -3,-0.3 -2,-0.2 0.428 87.4 121.4 -84.2 1.1 9.1 11.0 -15.5 109 109 A S < - 0 0 21 -3,-1.6 3,-0.1 -4,-0.5 -3,-0.1 -0.137 64.3-114.7 -65.3 162.0 12.1 13.0 -14.5 110 110 A A > - 0 0 55 1,-0.1 3,-1.9 2,-0.0 -1,-0.1 -0.588 44.7 -84.1 -92.9 153.9 14.5 14.8 -16.9 111 111 A P T 3 S+ 0 0 105 0, 0.0 -55,-0.2 0, 0.0 -56,-0.2 -0.223 117.6 21.7 -54.9 150.3 18.1 13.7 -17.2 112 112 A G T 3 S+ 0 0 11 -58,-1.5 -56,-0.2 1,-0.2 -57,-0.1 0.544 90.6 155.8 68.5 5.5 20.3 15.3 -14.5 113 113 A S E < -e 56 0B 22 -3,-1.9 -56,-2.5 -58,-0.7 2,-0.6 -0.245 37.2-143.3 -64.5 152.9 17.3 16.0 -12.3 114 114 A V E -e 57 0B 1 -24,-0.5 -22,-2.3 -58,-0.2 2,-0.4 -0.956 19.2-174.6-121.7 106.6 17.7 16.3 -8.6 115 115 A I E -ef 58 92B 3 -58,-2.7 -56,-2.9 -2,-0.6 2,-0.5 -0.861 8.3-164.3-103.4 135.8 14.9 14.8 -6.6 116 116 A L E -ef 59 93B 0 -24,-2.9 -22,-2.0 -2,-0.4 2,-0.2 -0.996 15.7-148.4-118.0 125.3 14.7 15.1 -2.8 117 117 A L E - f 0 94B 0 -58,-2.4 -56,-0.3 -2,-0.5 -20,-0.2 -0.596 24.7 -90.4 -92.9 160.0 12.3 12.7 -1.2 118 118 A E - 0 0 7 -22,-0.9 -57,-0.3 -24,-0.6 -1,-0.1 -0.099 68.4 -54.6 -65.4 163.2 10.3 13.3 2.0 119 119 A N > - 0 0 1 1,-0.2 3,-2.1 -45,-0.1 4,-0.3 -0.166 44.5-146.7 -41.8 107.0 11.6 12.5 5.5 120 120 A L G > S+ 0 0 0 -59,-2.5 3,-1.2 1,-0.3 6,-0.3 0.751 94.0 65.1 -47.9 -30.5 12.6 8.8 5.6 121 121 A R G 3 S+ 0 0 32 1,-0.3 -53,-1.8 -60,-0.2 -52,-0.6 0.245 71.9 85.5 -84.0 13.1 11.4 8.6 9.2 122 122 A Y G < S+ 0 0 15 -3,-2.1 2,-0.5 -54,-0.3 -1,-0.3 0.645 87.9 70.1 -78.9 -15.5 7.8 9.2 8.4 123 123 A H S X> S- 0 0 37 -3,-1.2 3,-1.7 -4,-0.3 4,-0.5 -0.904 79.1-146.2-104.7 126.5 8.0 5.4 7.9 124 124 A I H 3>>S+ 0 0 33 -56,-0.6 4,-1.2 -2,-0.5 5,-0.7 0.720 94.7 68.5 -60.8 -23.7 8.5 3.1 10.9 125 125 A E H 345S+ 0 0 33 3,-0.2 46,-0.3 1,-0.2 -1,-0.3 0.537 83.2 70.1 -78.8 -5.3 10.5 0.7 8.8 126 126 A E H <45S+ 0 0 1 -3,-1.7 45,-2.8 -6,-0.3 46,-0.2 0.959 117.1 22.2 -72.6 -53.5 13.4 3.1 8.3 127 127 A E H <5S- 0 0 60 -4,-0.5 -2,-0.2 2,-0.3 -1,-0.2 0.631 108.6-127.0 -82.5 -22.5 14.5 2.8 11.9 128 128 A G T <5S+ 0 0 17 -4,-1.2 11,-2.3 -5,-0.2 2,-0.3 0.487 78.2 51.3 87.3 5.7 12.7 -0.5 12.1 129 129 A S E < -I 138 0D 17 -5,-0.7 2,-0.3 9,-0.3 -2,-0.3 -0.963 59.9-151.5-161.9 173.3 10.7 0.5 15.2 130 130 A R E -I 137 0D 64 7,-1.7 7,-2.6 -2,-0.3 2,-0.6 -0.986 22.6-120.1-153.8 147.7 8.5 3.1 16.8 131 131 A K E +I 136 0D 146 -2,-0.3 2,-0.4 5,-0.2 5,-0.2 -0.857 32.9 171.0 -95.8 123.1 7.8 4.3 20.4 132 132 A V E > S-I 135 0D 64 3,-2.6 3,-1.4 -2,-0.6 -2,-0.1 -0.988 75.9 -11.1-133.9 117.6 4.2 3.9 21.4 133 133 A D T 3 S- 0 0 159 -2,-0.4 2,-0.1 1,-0.3 -1,-0.1 0.889 128.0 -59.1 59.6 41.2 3.3 4.6 25.1 134 134 A G T 3 S+ 0 0 68 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 0.072 116.2 110.3 80.0 -27.5 7.1 4.6 25.9 135 135 A Q E < S-I 132 0D 143 -3,-1.4 -3,-2.6 -2,-0.1 2,-1.2 -0.504 76.5-109.2 -85.1 153.2 7.5 1.0 24.6 136 136 A K E -I 131 0D 153 -5,-0.2 2,-0.9 -2,-0.2 -5,-0.2 -0.616 27.5-162.8 -86.8 89.2 9.4 0.0 21.4 137 137 A V E -I 130 0D 64 -7,-2.6 -7,-1.7 -2,-1.2 2,-0.1 -0.575 16.6-151.4 -73.2 102.9 6.9 -1.1 18.8 138 138 A K E -I 129 0D 173 -2,-0.9 2,-0.3 -9,-0.2 -9,-0.3 -0.367 10.4-118.9 -75.2 155.6 9.0 -3.1 16.3 139 139 A A - 0 0 20 -11,-2.3 2,-0.3 -15,-0.2 -1,-0.1 -0.691 32.2 -97.0 -96.8 152.8 8.1 -3.3 12.6 140 140 A S >> - 0 0 55 -2,-0.3 4,-2.4 1,-0.1 3,-0.8 -0.478 25.3-126.0 -72.9 132.4 7.4 -6.6 10.8 141 141 A K H 3> S+ 0 0 186 -2,-0.3 4,-2.0 1,-0.3 -1,-0.1 0.728 110.1 54.4 -44.2 -32.7 10.3 -8.2 8.8 142 142 A E H 3> S+ 0 0 165 2,-0.2 4,-2.3 1,-0.2 -1,-0.3 0.936 109.3 44.6 -71.1 -47.8 8.1 -8.3 5.7 143 143 A D H <> S+ 0 0 78 -3,-0.8 4,-2.7 2,-0.2 -2,-0.2 0.905 112.9 52.7 -62.1 -41.8 7.2 -4.6 5.8 144 144 A V H X S+ 0 0 18 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.913 112.1 44.9 -60.7 -45.5 10.9 -3.7 6.5 145 145 A Q H X S+ 0 0 109 -4,-2.0 4,-1.7 -5,-0.3 -1,-0.2 0.853 111.0 54.6 -67.7 -34.3 12.0 -5.8 3.5 146 146 A K H X S+ 0 0 123 -4,-2.3 4,-2.8 2,-0.2 3,-0.3 0.971 108.0 48.6 -61.6 -54.4 9.2 -4.2 1.3 147 147 A F H X S+ 0 0 4 -4,-2.7 4,-2.9 1,-0.3 -2,-0.2 0.935 112.9 47.2 -50.1 -53.3 10.3 -0.7 2.1 148 148 A R H X S+ 0 0 46 -4,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.804 111.1 53.8 -60.9 -31.8 14.0 -1.6 1.3 149 149 A H H X S+ 0 0 130 -4,-1.7 4,-1.5 -3,-0.3 -1,-0.2 0.956 111.4 43.4 -66.8 -50.6 12.8 -3.2 -1.9 150 150 A E H X S+ 0 0 43 -4,-2.8 4,-0.8 2,-0.2 -2,-0.2 0.911 114.1 51.0 -61.6 -43.3 10.9 -0.1 -3.0 151 151 A L H >< S+ 0 0 0 -4,-2.9 3,-1.5 1,-0.2 4,-0.3 0.971 109.7 48.9 -59.8 -55.5 13.7 2.2 -2.0 152 152 A S H >< S+ 0 0 19 -4,-2.2 3,-1.9 1,-0.3 -1,-0.2 0.788 96.8 73.0 -55.7 -30.3 16.3 0.2 -4.0 153 153 A S H 3< S+ 0 0 52 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.884 90.1 60.3 -50.8 -40.9 14.0 0.2 -7.0 154 154 A L T << S+ 0 0 7 -3,-1.5 2,-0.3 -4,-0.8 -1,-0.3 0.614 104.3 57.7 -66.5 -12.5 14.8 3.9 -7.5 155 155 A A < - 0 0 4 -3,-1.9 -137,-0.2 -4,-0.3 3,-0.1 -0.831 39.9-176.1-133.8 162.5 18.5 3.3 -8.0 156 156 A D S S+ 0 0 67 -139,-3.3 2,-0.3 1,-0.3 24,-0.3 0.535 91.5 30.8-112.8 -28.5 21.4 1.6 -9.9 157 157 A V E S-d 18 0B 6 -140,-1.9 -138,-1.3 21,-0.1 2,-0.4 -0.950 70.5-150.1-132.6 151.6 24.1 3.0 -7.6 158 158 A Y E -dg 19 181B 0 22,-1.9 24,-3.1 -2,-0.3 2,-0.4 -0.992 10.4-175.3-129.7 129.6 24.1 3.9 -3.9 159 159 A I E -dg 20 182B 0 -140,-2.8 -138,-2.2 -2,-0.4 2,-0.5 -0.975 11.0-154.4-122.8 130.6 26.2 6.5 -2.3 160 160 A N E +dg 21 183B 0 22,-2.8 24,-2.8 -2,-0.4 27,-0.2 -0.916 26.4 157.3-106.9 128.1 26.3 7.1 1.5 161 161 A D + 0 0 3 -140,-2.7 2,-0.5 -2,-0.5 -138,-0.4 0.196 49.7 95.4-133.1 17.6 27.2 10.6 2.7 162 162 A A >> + 0 0 0 -141,-0.3 3,-2.6 -140,-0.2 4,-1.1 -0.557 35.8 162.2-112.7 68.1 25.6 10.4 6.1 163 163 A F G >4 S+ 0 0 5 -2,-0.5 3,-0.9 1,-0.3 4,-0.3 0.880 72.1 70.7 -50.1 -41.1 28.3 9.3 8.6 164 164 A G G 34 S+ 0 0 20 1,-0.3 -1,-0.3 -3,-0.2 231,-0.2 0.668 107.7 34.2 -54.4 -18.5 26.2 10.6 11.4 165 165 A T G X4 S+ 0 0 6 -3,-2.6 3,-2.4 1,-0.1 5,-0.3 0.588 87.7 100.2-113.5 -7.6 23.8 7.7 10.9 166 166 A A T << S+ 0 0 0 -4,-1.1 241,-1.9 -3,-0.9 242,-0.7 0.540 73.2 66.7 -55.0 -11.2 26.3 5.0 9.8 167 167 A H T 3 S+ 0 0 27 -4,-0.3 2,-0.4 238,-0.2 -1,-0.3 0.352 92.3 71.5 -93.8 4.2 26.2 3.6 13.3 168 168 A R S < S- 0 0 102 -3,-2.4 2,-1.3 237,-0.1 239,-0.3 -0.935 79.0-134.0-120.6 142.1 22.6 2.5 13.0 169 169 A A + 0 0 58 -2,-0.4 2,-0.2 -42,-0.1 -3,-0.1 -0.514 49.6 157.4 -93.0 62.9 21.4 -0.4 10.8 170 170 A H >> - 0 0 17 -2,-1.3 4,-2.3 -5,-0.3 3,-1.8 -0.513 58.4-103.5 -84.7 158.1 18.5 1.6 9.4 171 171 A S H 3> S+ 0 0 0 -45,-2.8 4,-2.1 -46,-0.3 -45,-0.1 0.873 120.9 51.1 -52.2 -36.4 17.0 0.8 6.1 172 172 A S H 34 S+ 0 0 0 -46,-0.2 -1,-0.3 1,-0.2 -151,-0.1 0.645 113.2 44.6 -78.0 -13.6 18.8 3.6 4.3 173 173 A M H <4 S+ 0 0 0 -3,-1.8 -1,-0.2 -8,-0.1 -2,-0.2 0.806 132.7 13.7 -95.9 -36.3 22.2 2.7 5.6 174 174 A V H < S+ 0 0 27 -4,-2.3 -2,-0.2 1,-0.1 -3,-0.2 0.312 103.2 84.3-126.4 10.1 22.0 -1.1 5.1 175 175 A G < + 0 0 2 -4,-2.1 2,-0.8 -5,-0.4 -23,-0.2 0.313 61.1 98.6 -99.7 12.9 19.1 -1.9 2.8 176 176 A F - 0 0 1 -3,-0.1 2,-1.6 1,-0.1 -1,-0.1 -0.702 45.7-175.3-106.2 89.7 20.6 -1.3 -0.7 177 177 A D + 0 0 126 -2,-0.8 -1,-0.1 2,-0.1 4,-0.1 0.014 36.2 137.6 -69.6 32.3 21.7 -4.6 -2.2 178 178 A L - 0 0 24 -2,-1.6 3,-0.1 1,-0.1 -21,-0.1 -0.386 68.3-113.2 -81.1 158.2 23.3 -3.0 -5.3 179 179 A P S S+ 0 0 116 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.684 105.7 43.4 -61.4 -19.2 26.7 -4.1 -6.7 180 180 A Q + 0 0 62 -24,-0.3 -22,-1.9 232,-0.1 2,-0.7 -0.897 55.7 171.0-139.7 109.1 28.2 -0.8 -5.6 181 181 A R E - 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