==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=5-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE ACTIVATOR 24-JUL-12 4G9J . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-ALPHA CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR R.SUKACKAITE,J.CHATTERJEE,M.BEULLENS,M.BOLLEN,M.KOEHN,D.J.HA . 612 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 26104.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 410 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 64 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.7 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 . 1 0.2 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 . 41 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 25.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.0 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 2 1 0 3 3 2 2 3 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 5 7 3 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 0 2 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 2 0 0 2 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 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 9 A L > 0 0 148 0, 0.0 4,-0.6 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 149.3 -17.3 -53.0 -24.3 2 10 A D H > + 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.512 360.0 80.6 -80.3 -8.6 -20.1 -53.9 -26.7 3 11 A S H > S+ 0 0 66 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.878 90.0 48.2 -66.0 -41.0 -20.7 -56.9 -24.5 4 12 A I H > S+ 0 0 10 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.903 113.4 45.8 -69.4 -43.7 -22.7 -55.0 -21.9 5 13 A I H X S+ 0 0 21 -4,-0.6 4,-2.1 2,-0.2 -2,-0.2 0.863 112.4 53.2 -66.7 -37.4 -25.0 -53.3 -24.4 6 14 A G H X S+ 0 0 37 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.924 108.8 48.4 -60.3 -47.5 -25.5 -56.6 -26.2 7 15 A R H < S+ 0 0 67 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.776 110.7 52.7 -63.9 -28.8 -26.6 -58.3 -22.9 8 16 A L H >< S+ 0 0 0 -4,-1.3 3,-0.6 1,-0.2 -2,-0.2 0.889 110.9 44.5 -75.1 -40.5 -28.9 -55.4 -22.3 9 17 A L H >< S+ 0 0 43 -4,-2.1 3,-1.6 1,-0.2 -2,-0.2 0.638 94.8 83.9 -76.0 -14.9 -30.7 -55.7 -25.7 10 18 A E T 3< S+ 0 0 120 -4,-1.0 -1,-0.2 1,-0.3 -2,-0.2 0.814 79.1 62.3 -60.2 -35.8 -30.8 -59.5 -25.3 11 19 A V T X S+ 0 0 14 -3,-0.6 3,-1.3 -4,-0.4 2,-0.3 0.316 74.4 124.1 -78.0 9.4 -34.0 -59.4 -23.2 12 20 A Q T < S+ 0 0 67 -3,-1.6 3,-0.1 1,-0.2 -3,-0.0 -0.577 75.2 24.0 -69.2 129.3 -35.9 -57.8 -26.2 13 21 A G T 3 S+ 0 0 83 1,-0.4 -1,-0.2 -2,-0.3 2,-0.1 0.107 98.1 120.9 97.9 -20.1 -38.9 -60.0 -27.0 14 22 A S S < S- 0 0 47 -3,-1.3 -1,-0.4 1,-0.1 3,-0.1 -0.407 78.9 -86.3 -73.8 151.8 -39.0 -61.5 -23.5 15 23 A R > - 0 0 158 1,-0.1 3,-1.2 -3,-0.1 2,-0.3 -0.301 62.9 -86.5 -56.1 141.8 -42.1 -61.1 -21.3 16 24 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -5,-0.0 -0.349 109.3 42.2 -69.5 118.1 -41.9 -57.7 -19.4 17 25 A G T 3 + 0 0 21 1,-0.3 2,-0.2 -2,-0.3 -2,-0.1 0.118 66.6 134.0 142.6 -22.2 -40.0 -57.9 -16.1 18 26 A K < - 0 0 82 -3,-1.2 -1,-0.3 -7,-0.1 -4,-0.1 -0.409 47.1-137.9 -65.8 123.1 -36.9 -60.0 -16.8 19 27 A N - 0 0 58 -2,-0.2 2,-0.4 2,-0.0 -1,-0.1 -0.185 6.3-142.4 -74.4 165.0 -33.8 -58.4 -15.3 20 28 A V - 0 0 16 -10,-0.0 2,-1.0 2,-0.0 -12,-0.1 -0.949 16.0-157.3-128.7 112.2 -30.3 -58.0 -16.7 21 29 A Q - 0 0 35 -2,-0.4 295,-0.1 295,-0.1 3,-0.1 -0.748 13.1-175.1-100.2 94.2 -27.6 -58.4 -14.0 22 30 A L - 0 0 3 -2,-1.0 2,-0.2 1,-0.1 -2,-0.0 -0.301 34.6 -97.5 -72.8 164.0 -24.4 -56.7 -15.0 23 31 A T > - 0 0 18 1,-0.1 4,-2.0 -2,-0.1 3,-0.4 -0.612 31.1-119.6 -78.9 149.6 -21.2 -56.9 -12.9 24 32 A E H > S+ 0 0 8 406,-0.5 4,-3.3 1,-0.2 5,-0.2 0.821 113.9 59.2 -61.7 -28.4 -20.7 -53.9 -10.6 25 33 A N H > S+ 0 0 84 404,-0.4 4,-2.8 2,-0.2 -1,-0.2 0.893 104.7 48.6 -66.2 -41.5 -17.4 -53.2 -12.4 26 34 A E H > S+ 0 0 31 -3,-0.4 4,-2.9 2,-0.2 -2,-0.2 0.960 115.3 44.5 -58.0 -52.7 -19.2 -52.8 -15.8 27 35 A I H X S+ 0 0 1 -4,-2.0 4,-2.4 2,-0.2 -2,-0.2 0.917 113.4 50.0 -61.0 -46.7 -21.8 -50.5 -14.2 28 36 A R H X S+ 0 0 39 -4,-3.3 4,-2.8 2,-0.2 5,-0.3 0.923 111.0 50.7 -55.9 -46.6 -19.0 -48.5 -12.4 29 37 A G H X S+ 0 0 37 -4,-2.8 4,-3.0 1,-0.2 5,-0.3 0.937 107.9 52.7 -54.7 -51.1 -17.2 -48.3 -15.7 30 38 A L H X S+ 0 0 8 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.896 113.0 44.4 -51.4 -48.0 -20.4 -47.0 -17.4 31 39 A C H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.985 115.9 44.3 -60.7 -60.5 -20.7 -44.3 -14.7 32 40 A L H X S+ 0 0 95 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.855 117.2 45.9 -58.2 -40.3 -17.1 -43.2 -14.6 33 41 A K H >X S+ 0 0 90 -4,-3.0 4,-1.4 -5,-0.3 3,-0.6 0.981 116.1 43.0 -67.1 -56.4 -16.7 -43.2 -18.4 34 42 A S H 3X S+ 0 0 0 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.809 110.0 60.3 -60.0 -31.7 -20.0 -41.3 -19.2 35 43 A R H 3X S+ 0 0 53 -4,-2.9 4,-1.4 -5,-0.2 -1,-0.2 0.909 104.4 48.6 -57.1 -45.3 -19.2 -39.0 -16.3 36 44 A E H - 0 0 1 27,-2.6 3,-2.0 26,-0.3 28,-0.2 0.625 15.2-168.6-111.7 -33.6 -38.9 -43.0 -18.4 58 66 A H T 3 - 0 0 2 26,-2.3 31,-0.5 1,-0.3 28,-0.3 0.866 69.0 -54.8 40.1 56.9 -38.8 -43.6 -14.6 59 67 A G T 3 S+ 0 0 0 26,-3.0 2,-2.2 1,-0.2 32,-1.4 0.361 93.3 138.0 71.5 -4.2 -37.3 -47.1 -14.8 60 68 A Q X> + 0 0 23 -3,-2.0 4,-1.3 1,-0.2 3,-0.6 -0.511 27.5 175.0 -75.1 81.3 -39.9 -48.6 -17.1 61 69 A Y H 3> + 0 0 1 -2,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.818 67.9 52.9 -64.6 -39.0 -37.3 -50.4 -19.1 62 70 A Y H 3> S+ 0 0 29 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.752 107.3 53.3 -74.5 -23.7 -39.4 -52.5 -21.5 63 71 A D H <> S+ 0 0 29 -3,-0.6 4,-1.8 2,-0.2 -1,-0.2 0.837 104.9 55.8 -74.3 -35.6 -41.3 -49.3 -22.7 64 72 A L H X S+ 0 0 0 -4,-1.3 4,-2.0 1,-0.2 -2,-0.2 0.894 105.5 51.3 -61.4 -42.4 -37.9 -47.7 -23.4 65 73 A L H X S+ 0 0 7 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.838 106.5 55.1 -63.7 -34.8 -37.0 -50.6 -25.7 66 74 A R H X S+ 0 0 54 -4,-1.0 4,-2.1 2,-0.2 -1,-0.2 0.887 107.1 49.9 -63.4 -41.6 -40.4 -50.1 -27.5 67 75 A L H X S+ 0 0 2 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.900 113.9 44.4 -63.6 -43.6 -39.5 -46.4 -28.1 68 76 A F H X S+ 0 0 0 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.795 108.4 59.7 -69.0 -32.1 -36.1 -47.5 -29.6 69 77 A E H < S+ 0 0 117 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.931 117.3 30.5 -60.5 -48.1 -37.8 -50.2 -31.5 70 78 A Y H < S+ 0 0 83 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.909 123.2 47.2 -76.9 -46.2 -39.9 -47.7 -33.4 71 79 A G H < S- 0 0 3 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.495 117.7-105.7 -77.9 -3.3 -37.5 -44.8 -33.3 72 80 A G < - 0 0 6 -4,-1.0 5,-0.3 -5,-0.1 -3,-0.2 0.555 34.8 -91.9 79.9 127.4 -34.5 -46.9 -34.5 73 81 A F S > S- 0 0 41 -4,-0.2 3,-2.7 3,-0.1 -8,-0.0 -0.453 72.3 -48.9 -69.6 140.4 -31.7 -47.9 -32.2 74 82 A P T 3 S+ 0 0 8 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.198 128.3 21.9 -50.1 138.5 -28.7 -45.6 -32.0 75 83 A P T 3 S+ 0 0 73 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.861 105.6 80.8 -99.1 31.4 -27.2 -44.5 -34.3 76 84 A E S < S+ 0 0 148 -3,-2.7 2,-0.3 1,-0.1 -3,-0.1 0.832 114.5 9.0 -55.1 -30.6 -30.2 -45.0 -36.6 77 85 A S S S- 0 0 24 -5,-0.3 2,-0.3 32,-0.1 -26,-0.1 -0.938 81.3-110.2-142.7 163.8 -31.4 -41.8 -35.0 78 86 A N - 0 0 45 -2,-0.3 -26,-2.9 -28,-0.2 2,-0.4 -0.733 35.5-154.3 -94.7 150.4 -30.2 -39.0 -32.7 79 87 A Y E -gh 52 110B 1 30,-1.7 32,-2.6 -2,-0.3 2,-0.4 -0.984 21.0-175.9-137.6 131.0 -31.7 -38.8 -29.2 80 88 A L E -gh 53 111B 0 -28,-2.5 -26,-2.4 -2,-0.4 2,-0.4 -0.982 15.2-162.5-113.7 133.9 -32.2 -36.1 -26.5 81 89 A F E -gh 54 112B 1 30,-1.6 32,-1.6 -2,-0.4 -26,-0.2 -0.975 13.6-148.6-118.4 134.3 -33.6 -37.3 -23.2 82 90 A L - 0 0 0 -28,-2.6 157,-0.2 -2,-0.4 -26,-0.2 0.030 47.9-106.4 -93.2 26.7 -35.2 -34.8 -20.8 83 91 A G S S+ 0 0 0 -28,-0.2 -1,-0.3 30,-0.2 -26,-0.3 -0.242 78.7 109.1 86.0-171.7 -34.2 -36.6 -17.5 84 92 A D + 0 0 1 -28,-0.2 -27,-2.6 -27,-0.1 -26,-2.3 0.991 35.5 151.6 57.1 70.2 -36.1 -38.7 -14.9 85 93 A Y + 0 0 0 -28,-0.2 -26,-3.0 -29,-0.2 2,-0.1 0.731 53.5 48.2 -96.7 -28.8 -34.7 -42.1 -15.8 86 94 A V S S+ 0 0 0 31,-0.3 -28,-0.1 -28,-0.3 -29,-0.1 -0.453 77.4 49.2-112.4 179.2 -34.9 -43.8 -12.4 87 95 A D S S+ 0 0 0 2,-0.1 2,-2.6 -2,-0.1 40,-0.2 0.314 89.4 39.5 72.6 157.2 -37.5 -44.4 -9.5 88 96 A R S S+ 0 0 112 38,-1.9 -1,-0.1 -29,-0.1 -29,-0.1 -0.186 97.3 86.9 68.9 -47.0 -41.2 -45.6 -9.6 89 97 A G S S- 0 0 18 -2,-2.6 3,-0.4 -31,-0.5 -2,-0.1 -0.308 84.2-118.5 -80.6 167.7 -40.6 -48.2 -12.3 90 98 A K S S+ 0 0 164 1,-0.2 2,-0.4 2,-0.1 3,-0.2 0.855 102.0 41.3 -76.3 -35.9 -39.4 -51.8 -11.7 91 99 A Q > + 0 0 10 -32,-1.4 4,-1.6 1,-0.2 -1,-0.2 -0.560 56.4 143.5-121.2 68.6 -36.1 -51.7 -13.6 92 100 A S H > S+ 0 0 0 -2,-0.4 4,-2.5 -3,-0.4 5,-0.3 0.902 74.9 59.0 -65.6 -41.7 -34.2 -48.4 -13.0 93 101 A L H > S+ 0 0 4 -3,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.897 108.0 42.9 -57.6 -48.0 -30.9 -50.2 -13.1 94 102 A E H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.944 113.7 53.6 -61.2 -48.5 -31.3 -51.6 -16.6 95 103 A T H X S+ 0 0 0 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.924 111.6 41.2 -55.2 -56.7 -32.7 -48.2 -17.9 96 104 A I H X S+ 0 0 1 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.862 115.0 54.4 -63.3 -34.6 -29.9 -46.0 -16.8 97 105 A C H X S+ 0 0 2 -4,-1.6 4,-2.6 -5,-0.3 -2,-0.2 0.974 107.2 47.1 -64.0 -56.6 -27.3 -48.5 -17.9 98 106 A L H X S+ 0 0 0 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.885 114.7 49.1 -51.3 -43.4 -28.5 -48.9 -21.5 99 107 A L H X S+ 0 0 0 -4,-1.9 4,-2.6 -5,-0.2 -1,-0.2 0.958 110.7 47.4 -63.6 -52.0 -28.7 -45.1 -21.8 100 108 A L H X S+ 0 0 3 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.843 109.1 57.0 -59.1 -35.1 -25.2 -44.5 -20.4 101 109 A A H X S+ 0 0 8 -4,-2.6 4,-2.9 2,-0.2 -1,-0.2 0.969 109.6 43.3 -57.7 -54.8 -23.9 -47.2 -22.7 102 110 A Y H X S+ 0 0 5 -4,-2.1 4,-3.2 1,-0.2 -2,-0.2 0.860 110.8 56.1 -60.2 -38.5 -25.3 -45.4 -25.8 103 111 A K H < S+ 0 0 1 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.894 112.6 42.6 -59.5 -40.2 -23.9 -42.1 -24.4 104 112 A I H < S+ 0 0 49 -4,-2.2 -2,-0.2 -3,-0.2 -1,-0.2 0.901 118.6 44.0 -72.4 -42.6 -20.5 -43.7 -24.2 105 113 A K H < S+ 0 0 87 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.911 130.1 22.1 -73.1 -44.7 -20.7 -45.4 -27.6 106 114 A Y >X + 0 0 52 -4,-3.2 3,-1.9 -5,-0.2 4,-0.8 -0.568 69.0 164.8-122.6 70.8 -22.2 -42.5 -29.6 107 115 A P T 34 S+ 0 0 36 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.536 78.1 49.1 -66.2 -5.5 -21.3 -39.4 -27.5 108 116 A E T 34 S+ 0 0 127 -3,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.331 117.9 35.1-115.2 2.9 -22.2 -37.1 -30.4 109 117 A N T <4 S+ 0 0 57 -3,-1.9 -30,-1.7 1,-0.2 2,-0.4 0.234 109.3 64.5-139.5 7.4 -25.6 -38.5 -31.3 110 118 A F E < -h 79 0B 0 -4,-0.8 2,-0.4 -32,-0.2 -1,-0.2 -0.987 61.5-178.6-142.0 124.2 -27.0 -39.4 -27.9 111 119 A F E -h 80 0B 21 -32,-2.6 -30,-1.6 -2,-0.4 2,-0.4 -0.981 10.7-165.8-138.2 138.5 -27.7 -36.9 -25.2 112 120 A L E -h 81 0B 1 -2,-0.4 2,-0.3 -32,-0.2 -30,-0.2 -0.961 5.2-162.5-124.7 136.2 -29.0 -37.0 -21.6 113 121 A L - 0 0 0 -32,-1.6 2,-0.5 -2,-0.4 40,-0.2 -0.770 29.8-101.9-110.5 161.3 -30.3 -34.2 -19.4 114 122 A R - 0 0 0 38,-2.4 51,-0.5 -2,-0.3 2,-0.2 -0.711 35.1-166.2 -83.5 128.4 -30.7 -34.1 -15.7 115 123 A G > - 0 0 0 -2,-0.5 3,-1.4 50,-0.1 -32,-0.1 -0.695 39.7 -99.1-103.4 166.6 -34.2 -34.5 -14.4 116 124 A N T 3 S+ 0 0 2 81,-0.6 6,-0.1 1,-0.3 3,-0.1 0.779 120.3 65.5 -56.4 -27.7 -35.4 -33.8 -10.8 117 125 A H T 3 S+ 0 0 16 1,-0.2 -31,-0.3 80,-0.1 -1,-0.3 0.020 78.1 88.5 -86.3 27.6 -35.1 -37.5 -10.0 118 126 A E < + 0 0 0 -3,-1.4 2,-0.3 -34,-0.1 -1,-0.2 -0.417 68.4 97.4-117.9 53.6 -31.3 -37.4 -10.5 119 127 A C S >> S- 0 0 1 -3,-0.1 4,-3.1 67,-0.1 3,-1.3 -0.993 77.7-128.5-135.7 145.8 -30.4 -36.5 -6.9 120 128 A A H 3> S+ 0 0 26 -2,-0.3 4,-1.1 1,-0.2 9,-0.1 0.779 113.6 63.0 -54.8 -27.6 -29.3 -38.5 -3.9 121 129 A S H 34 S+ 0 0 58 1,-0.2 -1,-0.2 2,-0.1 -4,-0.1 0.759 117.3 23.9 -67.7 -28.4 -32.2 -36.6 -2.2 122 130 A I H <> S+ 0 0 19 -3,-1.3 4,-0.9 -6,-0.1 6,-0.3 0.600 112.9 64.1-120.5 -21.0 -34.8 -38.2 -4.5 123 131 A N H X>S+ 0 0 0 -4,-3.1 6,-1.7 2,-0.1 5,-0.9 0.922 98.7 68.9 -66.1 -47.2 -33.1 -41.5 -5.6 124 132 A R H <5S+ 0 0 121 -4,-1.1 2,-2.5 -5,-0.3 4,-0.1 -0.335 112.0 12.2 -52.9 152.0 -33.2 -42.3 -2.0 125 133 A I H 45S+ 0 0 109 1,-0.2 -1,-0.2 2,-0.1 -2,-0.1 -0.337 115.2 71.6 76.8 -61.2 -36.9 -42.9 -0.9 126 134 A Y H <5S- 0 0 111 -2,-2.5 -38,-1.9 -4,-0.9 -1,-0.2 0.425 117.3 -89.0 -80.2 2.5 -38.5 -43.1 -4.4 127 135 A G T X5S+ 0 0 24 -4,-0.6 4,-1.3 -40,-0.2 -3,-0.1 0.148 102.1 91.6 127.1 -20.8 -37.0 -46.5 -5.3 128 136 A F H > S+ 0 0 41 -6,-1.7 4,-2.3 1,-0.2 -1,-0.2 0.859 110.5 55.0 -59.0 -36.6 -31.4 -46.5 -3.9 130 138 A D H > S+ 0 0 80 -7,-0.4 4,-1.1 2,-0.2 -1,-0.2 0.875 108.4 48.2 -62.4 -39.5 -33.5 -49.5 -2.8 131 139 A E H X S+ 0 0 10 -4,-1.3 4,-2.7 2,-0.2 5,-0.4 0.916 111.9 48.0 -70.3 -45.4 -32.8 -51.3 -6.1 132 140 A C H X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.925 113.1 48.9 -56.5 -47.2 -29.1 -50.6 -5.9 133 141 A K H < S+ 0 0 86 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.718 115.7 44.0 -68.0 -25.0 -29.0 -51.9 -2.3 134 142 A R H < S+ 0 0 132 -4,-1.1 186,-0.3 -3,-0.2 -2,-0.2 0.855 125.5 28.9 -88.5 -42.2 -31.0 -55.0 -3.2 135 143 A R H < S- 0 0 2 -4,-2.7 184,-0.6 -5,-0.1 -2,-0.2 0.644 139.6 -8.4 -95.3 -18.7 -29.2 -56.0 -6.4 136 144 A Y S < S- 0 0 8 -4,-2.4 2,-0.3 -5,-0.4 -3,-0.1 0.005 93.2 -67.0-140.8-113.6 -25.8 -54.6 -5.6 137 145 A N >> - 0 0 22 1,-0.1 4,-0.9 -2,-0.1 3,-0.5 -0.978 31.4-106.6-155.3 164.7 -24.5 -52.3 -2.8 138 146 A I H >> S+ 0 0 78 -2,-0.3 4,-1.6 1,-0.2 3,-1.0 0.906 114.7 61.2 -58.4 -45.6 -24.7 -48.8 -1.2 139 147 A K H 3> S+ 0 0 137 1,-0.3 4,-1.2 2,-0.2 -1,-0.2 0.822 101.1 54.1 -53.4 -35.8 -21.2 -47.9 -2.5 140 148 A L H <> S+ 0 0 0 -3,-0.5 4,-1.8 1,-0.2 -1,-0.3 0.812 104.2 54.4 -70.1 -31.9 -22.4 -48.4 -6.1 141 149 A W H X S+ 0 0 0 -4,-1.8 4,-2.9 1,-0.2 3,-0.7 0.896 108.0 53.1 -52.1 -47.7 -24.2 -43.1 -9.6 145 153 A T H 3X S+ 0 0 23 -4,-2.0 4,-2.4 1,-0.2 5,-0.2 0.964 106.2 51.8 -49.1 -58.7 -24.7 -39.9 -7.7 146 154 A D H 3< S+ 0 0 78 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.702 114.2 45.4 -56.2 -22.3 -21.2 -38.7 -8.6 147 155 A C H X< S+ 0 0 2 -4,-1.2 3,-1.2 -3,-0.7 -1,-0.3 0.844 109.2 53.2 -87.2 -41.2 -22.1 -39.4 -12.2 148 156 A F H >< S+ 0 0 1 -4,-2.9 3,-1.7 1,-0.3 -2,-0.2 0.819 99.3 64.5 -62.3 -34.4 -25.6 -37.8 -12.1 149 157 A N T 3< S+ 0 0 19 -4,-2.4 36,-1.1 1,-0.3 -1,-0.3 0.630 99.3 54.0 -65.0 -14.1 -24.1 -34.6 -10.7 150 158 A C T < S+ 0 0 0 -3,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.375 82.5 122.0-101.7 2.3 -22.2 -34.2 -14.0 151 159 A L S < S- 0 0 4 -3,-1.7 -38,-0.1 -33,-0.1 2,-0.1 -0.343 70.7-105.2 -65.9 144.4 -25.3 -34.4 -16.2 152 160 A P - 0 0 2 0, 0.0 -38,-2.4 0, 0.0 -108,-0.1 -0.393 24.4-152.8 -64.7 149.9 -26.1 -31.5 -18.5 153 161 A I + 0 0 0 -110,-1.4 12,-0.5 1,-0.3 2,-0.3 0.858 65.5 2.9 -97.2 -43.1 -29.0 -29.3 -17.3 154 162 A A E -aB 44 164A 0 -111,-1.4 -109,-2.1 10,-0.1 2,-0.3 -0.909 57.0-155.7-141.8 166.7 -30.5 -27.9 -20.5 155 163 A A E -aB 45 163A 0 8,-2.7 8,-3.5 -2,-0.3 2,-0.4 -0.988 5.6-152.6-143.8 151.3 -30.2 -28.0 -24.3 156 164 A I E -aB 46 162A 19 -111,-3.6 -109,-2.4 -2,-0.3 2,-0.6 -0.990 13.2-147.8-127.9 124.3 -31.0 -25.7 -27.3 157 165 A V E >> S-aB 47 161A 0 4,-2.3 4,-1.8 -2,-0.4 3,-1.7 -0.821 75.8 -28.1 -95.9 116.7 -31.7 -27.2 -30.7 158 166 A D T 34 S- 0 0 60 -111,-3.1 -1,-0.2 -2,-0.6 -110,-0.1 0.831 112.2 -68.3 48.5 42.5 -30.6 -25.0 -33.7 159 167 A E T 34 S+ 0 0 153 -112,-0.3 -1,-0.3 -3,-0.3 3,-0.1 0.790 130.8 73.4 50.1 36.4 -31.1 -21.8 -31.6 160 168 A K T <4 S+ 0 0 21 -3,-1.7 74,-2.3 1,-0.2 75,-1.8 0.556 77.5 61.0-142.4 -39.9 -34.9 -22.3 -31.5 161 169 A I E < -Bc 157 235A 0 -4,-1.8 -4,-2.3 73,-0.2 2,-0.5 -0.884 62.9-155.4-107.2 113.0 -36.1 -25.1 -29.2 162 170 A F E -Bc 156 236A 0 73,-2.5 75,-3.6 -2,-0.7 2,-0.5 -0.738 15.2-167.3 -84.7 123.3 -35.3 -24.8 -25.5 163 171 A C E +Bc 155 237A 0 -8,-3.5 -8,-2.7 -2,-0.5 2,-0.3 -0.958 22.0 136.1-121.3 126.0 -35.2 -28.2 -23.8 164 172 A C E -B 154 0A 0 73,-2.0 75,-0.5 -2,-0.5 -10,-0.1 -0.959 52.9-113.1-155.6 165.7 -35.1 -28.9 -20.1 165 173 A H S S+ 0 0 0 -12,-0.5 74,-1.8 -51,-0.5 32,-0.2 0.977 102.2 14.6 -68.8 -58.9 -36.8 -31.3 -17.6 166 174 A G S S- 0 0 0 30,-2.3 2,-0.3 1,-0.2 31,-0.2 0.976 100.2-110.0 -84.1 -77.7 -39.0 -29.0 -15.5 167 175 A G - 0 0 0 29,-0.6 -1,-0.2 28,-0.4 32,-0.2 -0.971 48.3 -15.2 170.6-155.6 -39.4 -25.5 -17.0 168 176 A L - 0 0 1 -2,-0.3 49,-0.2 -4,-0.1 31,-0.1 -0.139 47.3-143.0 -76.9 167.9 -38.5 -21.8 -16.7 169 177 A S > - 0 0 5 3,-0.1 3,-1.1 1,-0.1 23,-0.1 -0.983 17.5-140.3-131.8 140.7 -37.1 -19.8 -13.8 170 178 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 22,-0.0 0.799 109.5 56.2 -64.6 -27.2 -37.7 -16.3 -12.4 171 179 A D T 3 S+ 0 0 87 -3,-0.0 2,-0.8 2,-0.0 21,-0.1 0.439 84.7 102.8 -83.2 0.5 -34.0 -16.1 -11.8 172 180 A L < + 0 0 7 -3,-1.1 3,-0.1 1,-0.2 -3,-0.1 -0.758 28.4 138.0 -92.7 106.9 -33.3 -16.9 -15.5 173 181 A Q + 0 0 100 -2,-0.8 2,-0.3 1,-0.4 -1,-0.2 0.746 69.9 20.9-111.8 -45.1 -32.3 -13.7 -17.5 174 182 A S > - 0 0 53 1,-0.1 3,-1.4 57,-0.0 -1,-0.4 -0.954 67.1-129.4-129.0 149.2 -29.5 -14.9 -19.7 175 183 A M T >> S+ 0 0 22 -2,-0.3 3,-2.1 1,-0.3 4,-1.1 0.801 103.4 74.2 -65.1 -30.7 -28.4 -18.3 -20.9 176 184 A E H 3> S+ 0 0 100 1,-0.3 4,-0.7 2,-0.2 -1,-0.3 0.661 84.9 68.1 -57.9 -17.1 -24.8 -17.6 -19.7 177 185 A Q H <> S+ 0 0 39 -3,-1.4 4,-0.8 2,-0.2 -1,-0.3 0.808 98.0 50.3 -68.1 -33.4 -26.2 -18.1 -16.2 178 186 A I H <4 S+ 0 0 0 -3,-2.1 3,-0.2 -4,-0.3 -2,-0.2 0.837 108.9 51.7 -73.1 -34.4 -26.7 -21.8 -17.1 179 187 A R H < S+ 0 0 80 -4,-1.1 -1,-0.2 1,-0.2 -2,-0.2 0.658 100.5 66.2 -74.7 -16.5 -23.1 -22.0 -18.4 180 188 A R H < S+ 0 0 166 -4,-0.7 2,-0.3 -3,-0.1 -1,-0.2 0.882 75.1 94.2 -74.1 -40.4 -21.8 -20.5 -15.0 181 189 A I S < S- 0 0 48 -4,-0.8 2,-0.2 -3,-0.2 -138,-0.1 -0.388 71.2-141.4 -64.3 116.8 -22.8 -23.4 -12.7 182 190 A M - 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