==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE, TRANSCRIPTION REGULATION 25-MAY-10 3N5U . COMPND 2 MOLECULE: SERINE/THREONINE-PROTEIN PHOSPHATASE PP1-ALPHA CA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.M.HIRSCHI,M.CECCHINI,R.C.STEINHARDT,F.A.DICK,S.M.RUBIN . 595 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24481.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 402 67.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 8.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 8.2 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 64 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 158 26.6 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 2 0 0 4 2 2 4 0 0 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 6 7 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 0 5 3 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 1 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 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 L 0 0 85 0, 0.0 2,-1.9 0, 0.0 3,-0.2 0.000 360.0 360.0 360.0 110.8 28.2 12.6 45.2 2 8 A N > + 0 0 99 1,-0.2 4,-1.9 2,-0.1 5,-0.1 -0.511 360.0 169.0 -84.1 75.4 28.1 16.4 45.6 3 9 A L H > S+ 0 0 20 -2,-1.9 4,-2.6 1,-0.2 5,-0.3 0.897 71.2 50.8 -55.5 -50.5 27.5 17.1 41.9 4 10 A D H > S+ 0 0 100 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.896 109.0 51.7 -58.7 -42.8 26.7 20.8 42.3 5 11 A S H > S+ 0 0 42 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.921 110.5 49.4 -58.5 -45.8 29.8 21.5 44.3 6 12 A I H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.961 111.8 46.0 -58.4 -56.4 31.9 19.9 41.7 7 13 A I H X S+ 0 0 14 -4,-2.6 4,-2.8 1,-0.2 5,-0.2 0.868 111.9 56.4 -53.9 -37.5 30.4 21.8 38.8 8 14 A G H X S+ 0 0 40 -4,-2.3 4,-1.2 -5,-0.3 -2,-0.2 0.934 107.3 43.8 -62.5 -51.3 30.8 24.9 41.0 9 15 A R H < S+ 0 0 72 -4,-2.5 4,-0.5 1,-0.2 -1,-0.2 0.806 115.7 52.5 -64.4 -29.3 34.6 24.6 41.6 10 16 A L H >< S+ 0 0 0 -4,-2.0 3,-0.8 -5,-0.2 -2,-0.2 0.952 111.6 41.1 -71.2 -53.0 35.0 23.8 37.9 11 17 A L H >< S+ 0 0 39 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.678 97.4 85.1 -68.6 -16.3 33.1 26.7 36.5 12 18 A E T 3< S+ 0 0 121 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.829 80.3 58.0 -58.7 -37.9 34.8 28.9 39.1 13 19 A V T X S+ 0 0 2 -3,-0.8 3,-0.6 -4,-0.5 2,-0.4 0.380 73.6 145.0 -75.5 7.6 38.0 29.5 37.1 14 20 A Q T < S- 0 0 71 -3,-1.9 -3,-0.1 1,-0.2 50,-0.0 -0.271 78.8 -6.6 -53.8 104.9 35.8 31.0 34.3 15 21 A G T 3 S+ 0 0 65 -2,-0.4 -1,-0.2 2,-0.1 49,-0.0 0.994 93.2 130.1 70.4 68.2 38.0 33.7 32.9 16 22 A S S < S- 0 0 41 -3,-0.6 -1,-0.1 1,-0.6 -2,-0.1 -0.335 79.3 -56.2-148.6 56.5 40.9 33.8 35.3 17 23 A R S > S- 0 0 180 2,-0.1 3,-0.7 3,-0.0 -1,-0.6 0.320 77.9 -69.2 75.3 146.7 44.2 33.6 33.3 18 24 A P T 3 S+ 0 0 116 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 -0.581 114.3 11.9 -74.0 119.5 44.9 30.8 30.8 19 25 A G T 3 + 0 0 34 -2,-0.5 2,-0.8 1,-0.2 -2,-0.1 0.862 69.5 163.5 87.2 39.6 45.5 27.4 32.4 20 26 A K < - 0 0 83 -3,-0.7 -1,-0.2 -7,-0.2 -7,-0.1 -0.826 35.9-132.1 -88.2 111.2 44.4 27.8 36.0 21 27 A N - 0 0 78 -2,-0.8 2,-0.4 1,-0.1 72,-0.0 -0.121 12.5-152.6 -62.7 154.2 44.0 24.2 37.3 22 28 A V - 0 0 16 -10,-0.0 2,-1.0 2,-0.0 -1,-0.1 -0.937 12.6-160.5-128.2 109.1 41.0 22.9 39.2 23 29 A Q - 0 0 98 -2,-0.4 3,-0.1 -14,-0.1 -2,-0.0 -0.745 10.5-178.0-101.2 95.3 41.9 20.0 41.5 24 30 A L - 0 0 6 -2,-1.0 2,-0.3 1,-0.1 -2,-0.0 -0.237 39.2 -90.8 -73.8 172.5 39.0 17.8 42.5 25 31 A T >> - 0 0 77 1,-0.1 4,-2.2 -2,-0.0 3,-0.7 -0.659 29.8-121.6 -84.5 147.2 39.5 14.8 44.9 26 32 A E H 3> S+ 0 0 72 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.801 116.0 57.9 -58.4 -25.7 40.2 11.5 43.2 27 33 A N H 3> S+ 0 0 121 2,-0.2 4,-1.4 1,-0.2 -1,-0.3 0.869 103.7 50.0 -71.9 -36.0 37.1 10.3 45.0 28 34 A E H <> S+ 0 0 39 -3,-0.7 4,-2.1 2,-0.2 -2,-0.2 0.934 110.5 50.8 -64.3 -44.6 35.0 13.0 43.4 29 35 A I H X S+ 0 0 1 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.896 106.1 53.4 -62.7 -42.4 36.3 12.0 40.0 30 36 A R H X S+ 0 0 53 -4,-2.1 4,-3.2 2,-0.2 5,-0.3 0.880 107.1 54.8 -57.1 -37.6 35.6 8.3 40.5 31 37 A G H X S+ 0 0 15 -4,-1.4 4,-2.7 1,-0.2 5,-0.4 0.959 107.3 48.2 -59.1 -52.6 32.1 9.4 41.3 32 38 A L H X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.2 5,-0.2 0.894 115.7 46.0 -52.9 -44.1 31.8 11.3 38.0 33 39 A C H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.935 117.6 39.2 -67.8 -49.2 33.2 8.2 36.2 34 40 A L H X S+ 0 0 88 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.903 116.8 46.9 -72.9 -42.8 31.1 5.5 37.8 35 41 A K H X S+ 0 0 86 -4,-2.7 4,-1.0 -5,-0.3 -1,-0.2 0.700 118.2 43.4 -76.6 -19.0 27.7 7.4 38.0 36 42 A S H X S+ 0 0 0 -4,-1.0 4,-2.8 -5,-0.4 5,-0.2 0.834 107.2 58.9 -87.5 -40.9 28.1 8.5 34.4 37 43 A R H X S+ 0 0 76 -4,-2.3 4,-1.5 -5,-0.2 -2,-0.2 0.879 104.6 53.9 -51.2 -39.7 29.2 5.1 33.3 38 44 A E H X S+ 0 0 129 -4,-1.8 4,-2.2 1,-0.2 3,-0.5 0.967 109.0 47.0 -56.6 -55.8 25.9 3.9 34.7 39 45 A I H X S+ 0 0 24 -4,-1.0 4,-1.4 1,-0.2 -2,-0.2 0.882 107.4 56.6 -54.3 -44.9 24.0 6.4 32.5 40 46 A F H < S+ 0 0 0 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.869 110.5 44.5 -58.6 -38.4 26.0 5.5 29.4 41 47 A L H < S+ 0 0 66 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.922 109.3 52.5 -74.8 -45.5 25.0 1.9 29.6 42 48 A S H < S+ 0 0 105 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.730 105.7 71.4 -63.7 -20.5 21.3 2.4 30.4 43 49 A Q S < S- 0 0 15 -4,-1.4 4,-0.1 -5,-0.2 0, 0.0 -0.661 101.0 -91.8 -93.9 154.0 21.2 4.6 27.3 44 50 A P - 0 0 78 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.283 20.2-132.0 -67.2 148.3 21.4 3.2 23.8 45 51 A I S S+ 0 0 8 1,-0.3 110,-1.7 136,-0.2 111,-1.3 0.778 107.3 49.4 -68.9 -26.1 24.8 2.9 22.1 46 52 A L E S-a 156 0A 1 109,-0.2 -1,-0.3 108,-0.2 111,-0.2 -0.867 92.2-152.1-113.5 95.2 23.2 4.5 19.1 47 53 A L E -a 157 0A 4 109,-1.8 111,-1.7 -2,-0.6 2,-0.3 -0.098 9.8-153.0 -64.0 160.5 21.4 7.6 20.4 48 54 A E + 0 0 130 109,-0.2 111,-0.2 -4,-0.0 2,-0.1 -0.807 26.1 171.6-137.2 95.2 18.4 9.2 18.9 49 55 A L - 0 0 18 -2,-0.3 111,-2.5 109,-0.2 2,-0.3 -0.312 19.7-141.7 -98.0 179.4 18.2 12.9 19.7 50 56 A E - 0 0 139 109,-0.2 231,-0.1 2,-0.2 109,-0.1 -0.998 32.2 -69.0-144.9 142.3 16.0 15.8 18.5 51 57 A A S S+ 0 0 11 -2,-0.3 229,-0.2 230,-0.2 2,-0.1 -0.265 89.7 67.1 -62.8 157.2 16.6 19.5 17.7 52 58 A P S S+ 0 0 71 0, 0.0 2,-0.3 0, 0.0 228,-0.2 0.540 73.8 123.2 -80.9 156.6 17.3 22.0 18.9 53 59 A L E -F 279 0B 8 226,-1.3 226,-1.1 -2,-0.1 2,-0.3 -0.904 53.3-123.6-169.9 148.1 20.8 21.2 20.0 54 60 A K E -Fg 278 81B 40 26,-3.1 28,-2.1 -2,-0.3 2,-0.4 -0.741 27.2-151.9 -90.8 144.4 24.4 22.5 19.6 55 61 A I E -Fg 277 82B 0 222,-1.0 222,-2.0 -2,-0.3 2,-0.3 -0.943 11.9-172.6-120.4 143.6 27.0 20.1 18.3 56 62 A C E - g 0 83B 0 26,-2.2 28,-2.4 -2,-0.4 220,-0.1 -0.951 7.7-159.5-135.7 153.0 30.7 20.1 19.0 57 63 A G - 0 0 0 218,-0.5 204,-0.2 -2,-0.3 27,-0.2 0.282 58.6 -6.6-102.3-133.3 33.8 18.3 17.7 58 64 A D B +k 261 0C 0 202,-0.6 204,-0.7 1,-0.2 205,-0.5 -0.436 45.7 171.1 -70.0 134.7 37.2 17.8 19.2 59 65 A I > - 0 0 2 27,-2.3 3,-1.9 26,-0.3 28,-0.2 0.641 16.6-170.8-109.0 -31.7 38.1 19.6 22.4 60 66 A H T 3 - 0 0 0 26,-2.4 31,-0.3 1,-0.3 28,-0.3 0.834 67.0 -53.5 38.5 59.8 41.4 17.9 23.1 61 67 A G T 3 S+ 0 0 0 26,-2.6 32,-2.0 30,-0.2 2,-1.9 0.324 95.2 133.4 72.1 -7.7 42.1 19.2 26.6 62 68 A Q <> + 0 0 26 -3,-1.9 4,-1.1 1,-0.2 3,-0.4 -0.566 28.3 173.1 -79.6 85.8 41.7 22.9 25.8 63 69 A Y H > + 0 0 1 -2,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.838 69.1 53.5 -68.7 -40.7 39.5 23.6 28.8 64 70 A Y H > S+ 0 0 36 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.774 108.7 52.0 -69.9 -23.9 39.3 27.4 28.6 65 71 A D H > S+ 0 0 35 -3,-0.4 4,-1.3 2,-0.2 -1,-0.2 0.759 105.5 54.9 -79.6 -27.6 38.2 27.1 25.0 66 72 A L H X S+ 0 0 0 -4,-1.1 4,-1.3 2,-0.2 -2,-0.2 0.811 107.8 51.0 -69.4 -32.0 35.5 24.7 26.2 67 73 A L H >X S+ 0 0 3 -4,-1.6 4,-3.4 2,-0.2 3,-0.8 0.967 109.4 47.3 -67.7 -53.6 34.4 27.4 28.6 68 74 A R H 3X S+ 0 0 79 -4,-2.0 4,-1.1 1,-0.3 -2,-0.2 0.834 107.7 60.8 -52.5 -33.1 34.2 30.0 25.8 69 75 A L H 3X S+ 0 0 0 -4,-1.3 4,-1.5 2,-0.2 -1,-0.3 0.860 112.2 34.7 -66.7 -38.3 32.3 27.4 23.9 70 76 A F H - 0 0 32 1,-0.1 3,-1.6 3,-0.1 4,-0.2 -0.378 69.7 -48.2 -66.8 147.7 25.8 26.6 29.6 76 82 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.229 120.3 19.2 -64.3 153.9 23.3 23.7 30.2 77 83 A P T 3 S+ 0 0 60 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.932 110.9 76.2 -90.6 21.1 20.5 23.2 30.4 78 84 A E S < S+ 0 0 151 -3,-1.6 2,-0.4 1,-0.1 -3,-0.1 0.913 110.9 24.0 -48.9 -48.0 20.1 26.5 28.4 79 85 A S S S- 0 0 21 -5,-0.4 2,-0.2 -4,-0.2 -1,-0.1 -0.931 82.8-124.1-119.9 143.9 21.2 24.6 25.3 80 86 A N - 0 0 53 -2,-0.4 -26,-3.1 -28,-0.1 2,-0.4 -0.603 35.4-153.6 -77.8 148.7 21.1 20.8 24.5 81 87 A Y E -gh 54 112B 1 30,-1.1 32,-2.4 -2,-0.2 2,-0.4 -0.972 25.4-175.7-135.2 140.1 24.4 19.4 23.5 82 88 A L E -gh 55 113B 0 -28,-2.1 -26,-2.2 -2,-0.4 2,-0.4 -0.989 15.3-163.4-126.0 122.6 26.0 16.6 21.5 83 89 A F E -gh 56 114B 0 30,-2.1 32,-2.2 -2,-0.4 -26,-0.2 -0.896 13.3-146.8-106.2 139.9 29.8 16.2 21.6 84 90 A L - 0 0 0 -28,-2.4 157,-0.2 -2,-0.4 -26,-0.1 0.082 46.3-104.3 -96.3 23.0 31.6 14.1 19.0 85 91 A G S S+ 0 0 0 30,-0.2 -26,-0.3 -28,-0.2 -1,-0.3 -0.356 80.6 107.4 90.6-169.8 34.4 12.7 21.1 86 92 A D + 0 0 2 -28,-0.2 -26,-2.4 -27,-0.1 -27,-2.3 0.980 39.1 151.8 52.3 66.3 38.1 13.5 21.5 87 93 A Y + 0 0 1 -28,-0.2 -26,-2.6 -29,-0.2 2,-0.2 0.811 55.3 38.4 -92.8 -34.7 37.8 15.2 24.9 88 94 A V S S+ 0 0 0 -28,-0.3 -28,-0.2 -27,-0.1 42,-0.1 -0.491 78.5 64.3-111.9 178.8 41.3 14.5 26.3 89 95 A D S S+ 0 0 0 -2,-0.2 2,-2.8 40,-0.1 40,-0.2 0.371 90.0 26.5 83.5 144.8 44.9 14.3 25.0 90 96 A R S S+ 0 0 97 38,-2.9 -29,-0.1 1,-0.1 -1,-0.1 -0.244 96.4 96.4 69.6 -52.3 47.2 17.0 23.6 91 97 A G S S- 0 0 15 -2,-2.8 3,-0.3 -31,-0.3 -30,-0.2 0.057 82.9-117.1 -55.4 174.8 45.5 19.9 25.4 92 98 A K S S+ 0 0 176 -31,-0.2 2,-0.4 1,-0.2 3,-0.2 0.823 103.4 37.2 -84.8 -35.4 46.8 21.3 28.7 93 99 A Q > + 0 0 8 -32,-2.0 4,-1.6 1,-0.2 -1,-0.2 -0.611 57.4 147.4-125.6 70.8 43.8 20.5 30.8 94 100 A S H > S+ 0 0 0 -2,-0.4 4,-2.9 -3,-0.3 5,-0.3 0.886 75.0 59.9 -68.5 -38.2 42.2 17.1 29.9 95 101 A L H > S+ 0 0 4 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.937 107.7 41.2 -58.2 -53.5 41.2 16.5 33.5 96 102 A E H > S+ 0 0 2 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.929 116.5 52.9 -58.9 -44.5 39.1 19.6 33.9 97 103 A T H X S+ 0 0 0 -4,-1.6 4,-1.8 1,-0.2 -2,-0.2 0.953 112.1 40.3 -56.8 -58.4 37.6 19.1 30.4 98 104 A I H X S+ 0 0 2 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.809 116.1 53.5 -66.2 -27.9 36.5 15.5 30.8 99 105 A C H X S+ 0 0 3 -4,-1.8 4,-2.0 -5,-0.3 -1,-0.2 0.943 107.5 47.7 -71.5 -49.4 35.3 16.2 34.4 100 106 A L H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.866 116.2 47.4 -57.1 -37.3 33.0 19.1 33.4 101 107 A L H X S+ 0 0 0 -4,-1.8 4,-1.7 -5,-0.3 -2,-0.2 0.922 111.6 46.8 -73.3 -46.1 31.6 17.0 30.6 102 108 A L H X S+ 0 0 3 -4,-2.4 4,-0.8 1,-0.2 -2,-0.2 0.792 111.9 55.4 -64.8 -27.4 31.0 13.9 32.7 103 109 A A H >X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 3,-0.7 0.945 107.8 44.9 -70.2 -51.1 29.4 16.2 35.3 104 110 A Y H 3X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.3 7,-0.2 0.796 107.6 60.2 -64.5 -29.2 26.9 17.7 32.9 105 111 A K H 3< S+ 0 0 0 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.822 111.7 40.3 -66.2 -29.5 26.1 14.3 31.5 106 112 A I H << S+ 0 0 27 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.868 115.9 48.6 -85.5 -39.9 25.1 13.3 35.1 107 113 A K H < S+ 0 0 76 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.915 129.9 19.9 -66.2 -46.7 23.2 16.6 35.9 108 114 A Y S >< S+ 0 0 54 -4,-2.4 3,-1.3 -5,-0.2 4,-0.4 -0.633 70.5 169.7-126.2 74.2 21.2 16.7 32.7 109 115 A P T 3 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.578 81.7 42.7 -61.3 -11.6 21.3 13.1 31.4 110 116 A E T 3 S+ 0 0 125 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.491 115.9 42.7-117.2 -8.1 18.6 14.0 28.8 111 117 A N S < S+ 0 0 61 -3,-1.3 -30,-1.1 -7,-0.2 2,-0.3 0.099 111.0 57.8-122.0 18.3 19.8 17.4 27.6 112 118 A F E -h 81 0B 0 -4,-0.4 2,-0.4 -32,-0.2 -30,-0.2 -0.923 62.3-179.1-155.6 120.0 23.5 16.5 27.3 113 119 A F E -h 82 0B 20 -32,-2.4 -30,-2.1 -2,-0.3 2,-0.4 -0.966 9.7-163.3-133.4 143.2 25.1 13.8 25.3 114 120 A L E -h 83 0B 1 -2,-0.4 -30,-0.2 -32,-0.2 2,-0.1 -0.985 4.8-165.8-128.2 128.9 28.7 12.5 24.7 115 121 A L - 0 0 0 -32,-2.2 2,-0.6 -2,-0.4 -30,-0.2 -0.421 31.6 -97.3 -98.9-179.2 30.0 10.2 21.9 116 122 A R - 0 0 0 38,-1.1 51,-0.4 -2,-0.1 2,-0.1 -0.888 32.1-165.4-112.4 113.6 33.3 8.4 21.8 117 123 A G > - 0 0 0 -2,-0.6 3,-1.9 50,-0.1 -32,-0.1 -0.379 40.1-101.8 -82.8 168.9 36.3 9.8 19.9 118 124 A N T 3 S+ 0 0 3 81,-0.5 6,-0.2 1,-0.3 71,-0.1 0.789 122.2 61.4 -63.8 -25.5 39.3 7.7 19.0 119 125 A H T 3 S+ 0 0 6 1,-0.2 2,-0.9 5,-0.1 -1,-0.3 0.420 80.2 84.6 -82.6 1.1 41.2 9.4 21.9 120 126 A E S < S+ 0 0 0 -3,-1.9 2,-0.3 30,-0.1 -1,-0.2 -0.464 77.9 93.0 -93.2 59.8 38.6 7.9 24.3 121 127 A C S >> S- 0 0 3 -2,-0.9 4,-2.8 67,-0.1 3,-1.2 -0.976 78.5-132.9-155.9 133.1 40.7 4.7 24.3 122 128 A A H 3> S+ 0 0 24 -2,-0.3 4,-1.3 1,-0.3 5,-0.2 0.721 101.6 72.6 -63.8 -21.3 43.6 3.6 26.5 123 129 A S H 34 S+ 0 0 49 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.837 118.4 15.4 -62.8 -34.5 45.6 2.6 23.4 124 130 A I H <> S+ 0 0 9 -3,-1.2 4,-2.6 -6,-0.2 6,-0.2 0.611 114.0 74.3-114.6 -20.7 46.2 6.3 22.7 125 131 A N H <>S+ 0 0 0 -4,-2.8 6,-1.9 1,-0.2 5,-1.4 0.919 97.4 52.6 -50.9 -48.6 45.2 7.9 26.0 126 132 A R T ><5S+ 0 0 32 -4,-1.3 3,-0.5 4,-0.2 6,-0.3 0.915 116.1 39.4 -56.1 -44.8 48.5 6.6 27.4 127 133 A I T 345S+ 0 0 29 -4,-0.2 -2,-0.2 1,-0.2 2,-0.2 0.950 107.3 53.5 -76.4 -55.2 50.5 8.1 24.6 128 134 A Y T 3<5S- 0 0 72 -4,-2.6 -38,-2.9 1,-0.1 -1,-0.2 0.072 119.7 -84.4 -86.4 27.2 49.1 11.6 23.8 129 135 A G T <>5S+ 0 0 25 -3,-0.5 4,-1.0 -40,-0.2 -35,-0.2 0.476 102.1 98.3 100.4 4.5 49.2 13.1 27.2 130 136 A F H > S+ 0 0 4 -6,-1.9 4,-2.8 1,-0.2 5,-0.2 0.873 113.8 53.2 -59.6 -36.9 47.5 9.2 31.1 132 138 A D H > S+ 0 0 73 -7,-0.4 4,-2.6 -6,-0.3 -1,-0.2 0.913 106.1 52.2 -63.6 -44.0 50.5 11.5 31.8 133 139 A E H X S+ 0 0 9 -4,-1.0 4,-2.7 2,-0.2 5,-0.4 0.940 112.6 44.7 -58.0 -48.5 48.2 14.1 33.1 134 140 A C H X S+ 0 0 0 -4,-2.4 4,-4.0 1,-0.2 -2,-0.2 0.959 112.8 50.8 -58.6 -52.4 46.5 11.7 35.5 135 141 A K H < S+ 0 0 58 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.865 114.6 45.1 -54.7 -39.5 49.8 10.2 36.6 136 142 A R H < S+ 0 0 159 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.925 126.1 27.1 -71.2 -47.3 51.1 13.7 37.3 137 143 A R H < S- 0 0 28 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.768 139.8 -7.9 -92.1 -27.5 48.1 15.1 39.1 138 144 A Y S < S- 0 0 35 -4,-4.0 2,-0.3 -5,-0.4 -3,-0.1 0.212 94.2 -69.7-131.7-107.0 46.6 11.9 40.6 139 145 A N >> - 0 0 49 1,-0.1 4,-1.3 -113,-0.0 3,-0.5 -0.991 31.9-101.1-162.0 164.9 47.6 8.3 39.9 140 146 A I H 3> S+ 0 0 26 -2,-0.3 4,-2.1 1,-0.2 3,-0.4 0.909 114.8 60.5 -56.1 -47.2 47.7 5.4 37.5 141 147 A K H 3> S+ 0 0 119 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.872 101.8 53.6 -49.8 -42.8 44.8 3.7 39.1 142 148 A L H X> S+ 0 0 0 -3,-0.5 4,-1.5 1,-0.2 3,-0.9 0.900 106.9 50.1 -63.5 -43.2 42.5 6.7 38.3 143 149 A W H 3X S+ 0 0 10 -4,-1.3 4,-2.1 -3,-0.4 -1,-0.2 0.893 105.1 58.0 -60.7 -39.2 43.4 6.7 34.7 144 150 A K H 3< S+ 0 0 87 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.737 105.6 53.0 -61.6 -21.1 42.6 2.9 34.6 145 151 A T H XX S+ 0 0 15 -3,-0.9 4,-0.5 -4,-0.7 3,-0.5 0.809 103.2 53.7 -85.6 -35.6 39.2 4.1 35.9 146 152 A F H >X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 3,-1.9 0.935 104.2 56.2 -61.0 -47.0 38.6 6.6 33.1 147 153 A T H 3X S+ 0 0 5 -4,-2.1 4,-0.9 1,-0.3 -1,-0.2 0.647 104.4 54.0 -65.9 -11.8 39.3 3.9 30.5 148 154 A D H <4 S+ 0 0 62 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.604 112.2 44.8 -89.4 -16.7 36.5 1.8 32.2 149 155 A C H X< S+ 0 0 0 -3,-1.9 3,-1.5 -4,-0.5 -2,-0.2 0.850 112.3 49.1 -90.8 -44.5 34.2 4.7 31.7 150 156 A F H >< S+ 0 0 1 -4,-3.2 3,-2.6 1,-0.3 -3,-0.2 0.898 99.7 67.0 -59.9 -41.3 35.2 5.5 28.1 151 157 A N T 3< S+ 0 0 27 -4,-0.9 36,-2.1 1,-0.3 -1,-0.3 0.569 102.0 50.3 -58.7 -6.1 34.7 1.8 27.2 152 158 A C T < S+ 0 0 0 -3,-1.5 -1,-0.3 34,-0.2 -2,-0.2 0.175 84.3 123.3-117.7 14.6 31.0 2.4 27.9 153 159 A L < - 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