==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 20-JUL-04 1U32 . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN PHOSPHATASE PP1-GAMMA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.T.MAYNES,K.R.PERREAULT,M.M.CHERNEY,H.A.LUU,M.N.G.JAMES, . 293 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 197 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 26 8.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 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 . 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 . 18 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 81 27.6 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+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 1 1 0 1 1 1 1 2 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 4 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 PARALLEL BRIDGES PER LADDER . 0 0 2 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 6 A K 0 0 261 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -28.7 55.5 28.7 15.7 2 7 A L - 0 0 55 1,-0.1 2,-1.7 30,-0.1 3,-0.2 -0.510 360.0-140.3 -67.4 120.8 57.2 31.9 16.7 3 8 A N > + 0 0 93 -2,-0.4 4,-1.9 1,-0.2 3,-0.4 -0.593 29.8 170.9 -86.1 81.0 54.6 34.6 17.2 4 9 A I H > S+ 0 0 20 -2,-1.7 4,-2.7 1,-0.2 5,-0.2 0.878 73.4 55.3 -56.9 -43.8 56.4 37.5 15.5 5 10 A D H > S+ 0 0 95 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.843 109.2 47.1 -61.7 -35.5 53.4 39.9 15.6 6 11 A S H > S+ 0 0 39 -3,-0.4 4,-2.6 2,-0.2 -1,-0.2 0.880 111.8 50.4 -73.2 -39.7 53.0 39.4 19.4 7 12 A I H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.933 113.2 45.7 -62.8 -47.3 56.7 40.0 20.0 8 13 A I H X S+ 0 0 18 -4,-2.7 4,-3.2 2,-0.2 5,-0.3 0.955 111.6 53.5 -58.7 -51.3 56.6 43.2 17.9 9 14 A Q H X S+ 0 0 103 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.915 112.2 43.0 -50.7 -51.2 53.4 44.3 19.7 10 15 A R H < S+ 0 0 57 -4,-2.6 4,-0.4 2,-0.2 -1,-0.2 0.888 113.7 51.8 -65.2 -39.4 55.0 43.8 23.1 11 16 A L H >< S+ 0 0 0 -4,-2.6 3,-0.7 1,-0.2 -2,-0.2 0.912 115.7 40.6 -64.7 -39.9 58.2 45.5 22.1 12 17 A L H >< S+ 0 0 25 -4,-3.2 3,-2.4 1,-0.2 -1,-0.2 0.656 92.2 87.5 -82.3 -14.6 56.4 48.5 20.7 13 18 A E T 3< S+ 0 0 129 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.749 84.6 58.4 -55.0 -24.5 53.9 48.6 23.6 14 19 A V T X + 0 0 5 -3,-0.7 3,-2.5 -4,-0.4 2,-0.7 0.439 69.9 115.6 -89.0 0.1 56.5 50.8 25.5 15 20 A R T < S+ 0 0 126 -3,-2.4 3,-0.1 1,-0.3 -3,-0.0 -0.605 87.7 24.9 -70.9 116.1 56.7 53.6 22.9 16 21 A G T 3 S+ 0 0 83 -2,-0.7 -1,-0.3 1,-0.5 -2,-0.1 0.229 101.5 112.6 112.4 -12.1 55.2 56.4 25.0 17 22 A S S < S- 0 0 37 -3,-2.5 -1,-0.5 1,-0.2 3,-0.1 -0.324 87.2 -67.7 -83.1 173.3 56.2 54.8 28.3 18 23 A K > - 0 0 177 1,-0.1 3,-2.1 -3,-0.1 -1,-0.2 -0.464 64.6-100.3 -64.9 124.3 58.9 56.3 30.6 19 24 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.179 111.1 36.0 -47.1 130.5 62.3 55.9 28.9 20 25 A G T 3 S+ 0 0 44 1,-0.3 2,-0.3 -3,-0.1 -2,-0.1 0.230 77.1 143.6 107.2 -12.7 64.1 52.9 30.3 21 26 A K < - 0 0 121 -3,-2.1 -1,-0.3 -7,-0.1 -4,-0.1 -0.466 46.2-131.7 -65.4 124.3 61.0 50.8 30.8 22 27 A N - 0 0 77 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.1 -0.356 11.3-151.7 -77.4 154.5 62.0 47.2 30.0 23 28 A V - 0 0 15 -2,-0.1 2,-0.9 2,-0.0 -12,-0.1 -0.987 14.4-159.5-124.3 111.9 60.2 44.7 27.8 24 29 A Q - 0 0 106 -2,-0.5 3,-0.1 -14,-0.1 -2,-0.0 -0.757 10.0-172.1-102.5 90.6 60.9 41.2 29.1 25 30 A L - 0 0 5 -2,-0.9 2,-0.1 1,-0.1 -2,-0.0 -0.291 34.7 -92.4 -71.8 163.5 60.2 38.7 26.3 26 31 A Q > - 0 0 112 1,-0.1 4,-2.0 -2,-0.0 3,-0.3 -0.426 30.7-116.9 -76.7 154.0 60.4 35.0 27.1 27 32 A E H > S+ 0 0 83 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 115.0 53.3 -57.5 -43.2 63.6 33.1 26.6 28 33 A N H > S+ 0 0 107 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.844 107.3 52.2 -63.2 -32.8 62.1 30.8 23.9 29 34 A E H > S+ 0 0 20 -3,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.930 110.3 46.9 -69.4 -45.2 61.0 33.9 22.0 30 35 A I H X S+ 0 0 2 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.920 112.0 50.2 -63.6 -42.1 64.4 35.5 22.0 31 36 A R H X S+ 0 0 102 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.888 110.0 52.0 -63.3 -36.9 66.1 32.3 21.0 32 37 A G H X S+ 0 0 19 -4,-1.8 4,-3.1 -5,-0.2 5,-0.4 0.921 106.3 52.6 -64.4 -44.1 63.5 31.9 18.1 33 38 A L H X S+ 0 0 1 -4,-2.4 4,-2.2 1,-0.2 5,-0.3 0.922 113.0 46.3 -56.9 -43.8 64.3 35.5 16.9 34 39 A C H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.950 115.5 43.5 -63.5 -52.1 68.0 34.5 16.8 35 40 A L H X S+ 0 0 80 -4,-2.8 4,-1.4 2,-0.2 -2,-0.2 0.865 116.9 45.8 -64.5 -38.9 67.5 31.2 15.1 36 41 A K H X S+ 0 0 81 -4,-3.1 4,-1.7 -5,-0.2 -1,-0.2 0.926 114.6 46.2 -72.7 -44.2 65.0 32.4 12.5 37 42 A S H X S+ 0 0 0 -4,-2.2 4,-3.3 -5,-0.4 5,-0.2 0.905 108.3 57.8 -64.4 -39.0 67.0 35.6 11.6 38 43 A R H X S+ 0 0 72 -4,-2.3 4,-2.6 -5,-0.3 -1,-0.2 0.921 105.4 50.7 -54.5 -46.9 70.2 33.5 11.4 39 44 A E H X S+ 0 0 118 -4,-1.4 4,-1.3 1,-0.2 -1,-0.2 0.895 112.6 45.9 -58.7 -43.6 68.5 31.4 8.7 40 45 A I H X S+ 0 0 11 -4,-1.7 4,-1.1 2,-0.2 -2,-0.2 0.928 109.9 53.7 -66.9 -45.6 67.5 34.5 6.8 41 46 A F H >< S+ 0 0 3 -4,-3.3 3,-0.9 1,-0.3 -2,-0.2 0.940 111.9 45.2 -54.4 -48.8 70.9 36.1 7.1 42 47 A L H 3< S+ 0 0 64 -4,-2.6 -1,-0.3 1,-0.2 -2,-0.2 0.772 108.1 58.4 -67.2 -25.4 72.5 32.9 5.6 43 48 A S H 3< S+ 0 0 91 -4,-1.3 -1,-0.2 -5,-0.2 -2,-0.2 0.674 104.3 59.9 -78.4 -16.8 69.9 32.8 2.9 44 49 A Q S << S- 0 0 18 -4,-1.1 4,-0.1 -3,-0.9 0, 0.0 -0.728 100.9 -83.9-108.3 161.2 70.8 36.2 1.6 45 50 A P - 0 0 78 0, 0.0 3,-0.2 0, 0.0 -1,-0.1 -0.136 23.2-132.1 -60.1 156.0 74.2 37.4 0.3 46 51 A I S S+ 0 0 7 1,-0.3 110,-2.0 136,-0.2 111,-1.7 0.676 107.5 50.9 -81.3 -17.9 77.0 38.6 2.6 47 52 A L E S-a 157 0A 1 109,-0.2 -1,-0.3 108,-0.2 111,-0.3 -0.903 92.6-148.8-119.5 96.8 77.3 41.6 0.3 48 53 A L E -a 158 0A 6 109,-2.6 111,-2.9 -2,-0.6 2,-0.6 -0.369 8.6-154.0 -70.7 142.8 73.8 43.0 -0.1 49 54 A E E +a 159 0A 136 109,-0.2 2,-0.2 -2,-0.1 111,-0.2 -0.908 28.4 175.5-118.8 98.5 72.7 44.7 -3.3 50 55 A L E -a 160 0A 17 109,-2.0 111,-2.8 -2,-0.6 2,-0.4 -0.579 21.2-142.3-104.4 166.8 69.9 47.0 -2.3 51 56 A E - 0 0 153 109,-0.2 231,-0.1 -2,-0.2 109,-0.1 -0.970 32.2 -82.1-130.4 142.2 67.8 49.6 -4.1 52 57 A A S S+ 0 0 16 -2,-0.4 229,-0.2 229,-0.2 2,-0.1 -0.306 88.8 78.1 -69.6 163.0 66.5 53.0 -2.9 53 58 A P S S+ 0 0 55 0, 0.0 2,-0.3 0, 0.0 228,-0.2 0.527 75.2 139.5 -72.9 148.0 64.3 54.3 -1.4 54 59 A L E -F 280 0B 6 226,-2.0 226,-2.7 -2,-0.1 2,-0.5 -0.990 48.7-136.3-158.1 151.3 65.9 53.3 1.9 55 60 A K E -Fg 279 82B 29 26,-2.3 28,-2.5 -2,-0.3 2,-0.5 -0.967 24.2-158.8-112.5 121.0 66.7 54.8 5.3 56 61 A I E -Fg 278 83B 0 222,-3.2 222,-2.6 -2,-0.5 2,-0.3 -0.885 9.3-170.4-106.8 130.8 70.2 54.1 6.5 57 62 A C E -Fg 277 84B 0 26,-2.7 28,-2.4 -2,-0.5 29,-0.1 -0.902 7.6-152.4-122.1 149.6 71.1 54.2 10.2 58 63 A G - 0 0 0 218,-0.7 204,-0.3 -2,-0.3 28,-0.2 -0.057 56.0 -15.9 -97.6-158.6 74.4 54.1 12.2 59 64 A D B +j 262 0C 2 202,-0.7 204,-1.2 26,-0.1 -1,-0.3 0.007 47.1 173.2 -44.3 140.6 75.3 52.9 15.7 60 65 A I > - 0 0 1 27,-2.2 3,-1.8 26,-0.4 28,-0.2 0.612 12.9-169.4-119.5 -36.6 72.4 52.3 18.1 61 66 A H T 3 - 0 0 2 26,-2.8 31,-0.5 1,-0.3 28,-0.3 0.851 69.1 -55.4 42.1 53.7 74.2 50.8 21.1 62 67 A G T 3 S+ 0 0 1 26,-2.3 32,-2.1 1,-0.2 2,-1.9 0.575 91.9 138.7 64.4 11.9 71.2 49.7 23.1 63 68 A Q X> + 0 0 28 -3,-1.8 4,-1.6 1,-0.2 3,-0.9 -0.581 27.2 175.2 -88.3 74.4 69.5 53.1 23.3 64 69 A Y H 3> S+ 0 0 2 -2,-1.9 4,-2.0 1,-0.3 -1,-0.2 0.839 70.3 51.7 -50.1 -47.4 66.1 51.5 22.7 65 70 A Y H 3> S+ 0 0 32 1,-0.2 4,-1.5 2,-0.2 -1,-0.3 0.797 109.3 52.0 -66.9 -23.9 64.0 54.6 23.1 66 71 A D H <> S+ 0 0 33 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.813 106.6 53.7 -78.1 -29.9 66.2 56.4 20.6 67 72 A L H X S+ 0 0 0 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.887 108.5 49.6 -68.6 -37.3 65.7 53.5 18.2 68 73 A L H X S+ 0 0 6 -4,-2.0 4,-2.0 1,-0.2 -2,-0.2 0.870 108.3 53.7 -67.3 -36.4 61.9 54.0 18.7 69 74 A R H X S+ 0 0 86 -4,-1.5 4,-1.5 2,-0.2 -2,-0.2 0.864 105.5 53.7 -65.9 -35.9 62.4 57.7 18.0 70 75 A L H X S+ 0 0 2 -4,-1.8 4,-3.3 2,-0.2 5,-0.3 0.948 110.5 45.7 -63.2 -49.1 64.2 56.9 14.7 71 76 A F H X S+ 0 0 0 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.867 111.8 51.8 -62.6 -37.0 61.3 54.7 13.5 72 77 A E H < S+ 0 0 133 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.799 116.8 40.4 -71.0 -26.4 58.7 57.3 14.6 73 78 A Y H < S+ 0 0 136 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.834 127.3 32.0 -88.5 -36.9 60.6 59.9 12.6 74 79 A G H < S- 0 0 7 -4,-3.3 -3,-0.2 -5,-0.2 -2,-0.2 0.610 123.0 -93.2 -95.8 -14.0 61.5 57.8 9.6 75 80 A G < - 0 0 9 -4,-2.5 5,-0.4 -5,-0.3 -3,-0.2 0.394 36.0 -94.8 105.1 121.2 58.4 55.6 9.6 76 81 A F > - 0 0 18 3,-0.1 3,-2.4 -4,-0.1 4,-0.2 -0.367 68.7 -59.5 -64.8 139.6 57.8 52.2 11.3 77 82 A P T 3 S+ 0 0 13 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.262 122.7 27.4 -56.7 148.4 58.3 49.3 9.0 78 83 A P T 3 S+ 0 0 73 0, 0.0 -2,-0.1 0, 0.0 3,-0.0 -0.914 109.0 74.0 -91.1 20.2 57.0 48.5 6.5 79 84 A E S < S+ 0 0 147 -3,-2.4 2,-0.3 1,-0.1 -3,-0.1 0.892 114.1 17.1 -54.3 -41.5 56.3 52.2 5.8 80 85 A S S S- 0 0 26 -5,-0.4 2,-0.3 -4,-0.2 -26,-0.1 -0.903 80.8-120.4-130.4 158.5 60.0 52.6 5.0 81 86 A N - 0 0 38 -2,-0.3 -26,-2.3 -28,-0.1 2,-0.3 -0.780 34.1-155.2 -97.4 144.5 62.8 50.2 4.1 82 87 A Y E -gh 55 113B 0 30,-1.6 32,-2.7 -2,-0.3 2,-0.4 -0.926 22.3-173.4-128.9 150.6 65.8 50.2 6.5 83 88 A L E -gh 56 114B 0 -28,-2.5 -26,-2.7 -2,-0.3 2,-0.4 -0.978 13.8-165.5-136.5 118.6 69.5 49.4 6.4 84 89 A F E -gh 57 115B 0 30,-2.2 32,-2.3 -2,-0.4 -26,-0.2 -0.873 13.1-148.4-106.4 143.3 71.4 49.5 9.8 85 90 A L - 0 0 0 -28,-2.4 157,-0.2 -2,-0.4 2,-0.2 0.255 48.1 -98.2 -96.8 10.7 75.2 49.5 9.8 86 91 A G S S+ 0 0 0 -28,-0.2 -26,-0.4 -29,-0.1 -1,-0.3 -0.503 81.1 105.0 110.8-177.8 75.9 47.7 13.0 87 92 A D + 0 0 3 -28,-0.2 -26,-2.8 -2,-0.2 -27,-2.2 0.971 37.7 154.6 56.9 60.5 76.7 48.2 16.7 88 93 A Y + 0 0 0 -28,-0.2 -26,-2.3 -29,-0.2 2,-0.2 0.719 57.6 45.4 -85.7 -27.3 73.3 47.4 18.0 89 94 A V S S+ 0 0 0 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.627 77.9 54.9-116.3 174.9 74.5 46.3 21.4 90 95 A D S S+ 0 0 0 -2,-0.2 2,-2.4 2,-0.1 40,-0.3 0.331 91.1 32.9 80.8 148.6 76.8 47.4 24.2 91 96 A R S S+ 0 0 119 38,-2.9 -29,-0.1 1,-0.1 -1,-0.1 -0.225 96.1 91.9 71.3 -48.9 77.1 50.6 26.2 92 97 A G S S- 0 0 16 -2,-2.4 3,-0.3 -31,-0.5 -29,-0.2 -0.134 81.6-121.9 -69.2 173.2 73.4 51.4 26.1 93 98 A K S S+ 0 0 150 -31,-0.3 -30,-0.1 1,-0.2 3,-0.1 0.601 102.8 42.1 -92.8 -14.0 71.0 50.3 28.9 94 99 A Q > + 0 0 8 -32,-2.1 4,-1.8 -33,-0.2 -1,-0.2 -0.408 57.1 143.2-133.8 62.7 68.7 48.2 26.6 95 100 A S H > S+ 0 0 0 -3,-0.3 4,-3.1 1,-0.2 5,-0.3 0.874 75.7 57.8 -64.3 -37.6 70.7 46.2 24.1 96 101 A L H > S+ 0 0 3 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.948 108.6 41.3 -61.2 -52.8 68.2 43.3 24.5 97 102 A E H > S+ 0 0 2 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.931 117.0 52.8 -60.0 -43.2 65.1 45.3 23.5 98 103 A T H X S+ 0 0 0 -4,-1.8 4,-1.9 1,-0.2 -2,-0.2 0.962 113.6 38.4 -56.2 -60.0 67.1 47.0 20.8 99 104 A I H X S+ 0 0 2 -4,-3.1 4,-2.8 1,-0.2 5,-0.2 0.872 114.8 55.3 -64.0 -36.4 68.5 43.8 19.1 100 105 A C H X S+ 0 0 2 -4,-2.4 4,-2.6 -5,-0.3 -1,-0.2 0.915 107.6 48.3 -63.7 -43.0 65.2 41.9 19.5 101 106 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.932 113.7 48.4 -62.7 -43.7 63.1 44.5 17.8 102 107 A L H X S+ 0 0 0 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.932 113.7 44.5 -63.0 -47.9 65.6 44.6 14.9 103 108 A L H X S+ 0 0 1 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.909 111.8 55.5 -62.9 -39.2 65.8 40.9 14.5 104 109 A A H X S+ 0 0 0 -4,-2.6 4,-2.1 -5,-0.2 -2,-0.2 0.905 109.8 44.9 -59.2 -44.6 62.0 40.8 14.8 105 110 A Y H X S+ 0 0 6 -4,-2.3 4,-3.1 2,-0.2 -1,-0.2 0.836 109.0 56.8 -69.9 -32.4 61.6 43.2 11.9 106 111 A K H < S+ 0 0 2 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.906 111.7 42.6 -64.3 -40.3 64.2 41.3 9.8 107 112 A I H < S+ 0 0 21 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.894 117.7 46.6 -71.7 -39.2 62.1 38.2 10.2 108 113 A K H < S+ 0 0 78 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.860 129.7 21.4 -71.4 -38.8 58.9 40.1 9.5 109 114 A Y S >X S+ 0 0 53 -4,-3.1 3,-1.7 -5,-0.1 4,-0.9 -0.508 70.4 164.5-131.7 65.2 60.2 42.1 6.5 110 115 A P T 34 S+ 0 0 40 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.656 79.6 43.3 -54.9 -23.1 63.2 40.1 5.2 111 116 A E T 34 S+ 0 0 130 1,-0.1 3,-0.1 3,-0.0 -5,-0.1 0.403 120.4 38.6-106.1 0.4 63.2 41.9 1.8 112 117 A N T <4 S+ 0 0 71 -3,-1.7 -30,-1.6 1,-0.2 2,-0.4 0.263 109.4 60.6-131.0 8.1 62.6 45.5 3.2 113 118 A F E < +h 82 0B 0 -4,-0.9 2,-0.4 -32,-0.2 -1,-0.2 -0.976 60.5 179.9-143.0 123.9 64.8 45.4 6.3 114 119 A F E -h 83 0B 15 -32,-2.7 -30,-2.2 -2,-0.4 2,-0.4 -0.966 11.4-166.8-132.9 145.8 68.5 44.9 6.5 115 120 A L E -h 84 0B 1 -2,-0.4 2,-0.2 -32,-0.2 -30,-0.2 -0.994 7.8-158.8-130.3 128.8 71.2 44.7 9.2 116 121 A L - 0 0 0 -32,-2.3 2,-0.4 -2,-0.4 40,-0.2 -0.628 30.5-100.3 -99.7 165.4 74.9 44.7 8.8 117 122 A R - 0 0 1 38,-1.7 51,-0.4 -2,-0.2 2,-0.2 -0.708 34.4-166.4 -88.7 132.4 77.5 43.5 11.3 118 123 A G > - 0 0 0 -2,-0.4 3,-1.7 50,-0.1 -32,-0.1 -0.640 40.0-101.4-107.1 170.2 79.3 46.0 13.5 119 124 A N T 3 S+ 0 0 2 81,-0.5 3,-0.2 1,-0.3 6,-0.2 0.685 122.4 62.8 -68.5 -14.7 82.4 45.3 15.6 120 125 A H T 3 S+ 0 0 17 1,-0.2 2,-0.6 5,-0.1 -1,-0.3 0.557 83.1 75.9 -85.0 -7.7 80.1 45.1 18.6 121 126 A E S < S+ 0 0 0 -3,-1.7 2,-0.4 30,-0.1 -1,-0.2 -0.329 81.5 100.8 -94.4 50.5 78.3 42.1 17.0 122 127 A C S >> S- 0 0 16 -2,-0.6 4,-2.7 -3,-0.2 3,-0.8 -0.999 76.1-133.6-136.9 132.4 81.4 40.2 18.1 123 128 A A H 3> S+ 0 0 27 -2,-0.4 4,-1.1 1,-0.2 5,-0.2 0.906 104.9 52.1 -51.5 -53.1 81.7 37.9 21.2 124 129 A S H 34 S+ 0 0 90 1,-0.2 4,-0.4 2,-0.2 -1,-0.2 0.783 117.2 41.2 -58.5 -27.7 85.0 39.3 22.4 125 130 A I H X> S+ 0 0 25 -3,-0.8 4,-1.9 -6,-0.2 3,-1.4 0.945 115.3 43.1 -86.2 -57.4 83.6 42.8 22.2 126 131 A N H 3< S+ 0 0 0 -4,-2.7 6,-2.6 1,-0.3 7,-0.3 0.548 104.0 70.3 -70.3 -1.1 80.1 42.6 23.6 127 132 A R T 3< S+ 0 0 120 -4,-1.1 -1,-0.3 -5,-0.3 6,-0.2 0.849 111.2 29.4 -78.7 -33.2 81.4 40.4 26.3 128 133 A I T <4 S+ 0 0 108 -3,-1.4 -2,-0.2 -4,-0.4 -1,-0.1 0.762 115.5 55.5 -96.4 -33.1 83.2 43.4 27.8 129 134 A Y S < S- 0 0 94 -4,-1.9 -38,-2.9 -9,-0.1 -1,-0.1 0.131 119.4 -73.7 -97.6 23.0 81.1 46.4 26.9 130 135 A G S > S+ 0 0 19 -40,-0.3 4,-2.5 -4,-0.2 5,-0.2 -0.160 105.8 88.2 127.7 -47.7 77.7 45.6 28.3 131 136 A F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.899 93.3 49.2 -57.8 -46.7 75.7 43.0 26.3 132 137 A Y H > S+ 0 0 47 -6,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.946 113.3 47.6 -57.7 -49.7 77.1 40.0 28.1 133 138 A D H > S+ 0 0 86 -7,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.881 110.5 52.3 -59.8 -38.6 76.3 41.7 31.5 134 139 A E H X S+ 0 0 6 -4,-2.5 4,-2.5 1,-0.2 5,-0.4 0.910 112.1 45.3 -65.3 -40.2 72.8 42.6 30.3 135 140 A C H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.885 111.2 52.9 -69.5 -38.6 72.2 39.0 29.3 136 141 A K H < S+ 0 0 121 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.897 115.2 42.0 -63.4 -39.9 73.6 37.6 32.6 137 142 A R H < S+ 0 0 156 -4,-2.2 -2,-0.2 -5,-0.2 -3,-0.2 0.974 126.8 27.1 -71.5 -57.0 71.3 39.9 34.6 138 143 A R H < S- 0 0 27 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.728 139.6 -10.2 -82.3 -24.7 68.0 39.6 32.7 139 144 A Y S < S- 0 0 34 -4,-2.2 2,-0.3 -5,-0.4 -3,-0.1 0.069 93.2 -75.9-136.6-110.4 68.4 36.1 31.2 140 145 A N > - 0 0 49 1,-0.1 4,-1.2 -2,-0.0 3,-0.4 -0.971 30.9-102.6-159.1 169.5 71.6 33.9 31.1 141 146 A I H > S+ 0 0 34 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.814 114.6 64.1 -69.9 -29.4 74.9 33.4 29.4 142 147 A K H > S+ 0 0 146 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.874 103.4 48.7 -61.3 -36.7 73.6 30.5 27.2 143 148 A L H > S+ 0 0 3 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.859 107.3 55.8 -70.7 -34.9 71.2 33.0 25.6 144 149 A W H X S+ 0 0 4 -4,-1.2 4,-2.2 1,-0.2 -2,-0.2 0.916 106.5 49.9 -62.3 -42.6 74.2 35.4 25.1 145 150 A K H X S+ 0 0 115 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.813 106.7 55.6 -66.2 -29.4 76.0 32.6 23.2 146 151 A T H X S+ 0 0 8 -4,-1.2 4,-1.5 2,-0.2 -1,-0.2 0.906 107.1 49.7 -68.3 -39.8 72.9 32.1 21.1 147 152 A F H X S+ 0 0 0 -4,-2.0 4,-3.0 1,-0.2 3,-0.3 0.920 108.4 53.8 -61.8 -44.2 73.0 35.8 20.1 148 153 A T H X S+ 0 0 15 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.894 105.7 52.2 -58.0 -42.1 76.7 35.4 19.3 149 154 A D H < S+ 0 0 85 -4,-2.0 -1,-0.2 2,-0.2 -2,-0.2 0.829 111.8 47.5 -64.4 -32.3 75.9 32.5 16.9 150 155 A C H >< S+ 0 0 0 -4,-1.5 3,-2.0 -3,-0.3 -2,-0.2 0.941 110.1 51.4 -71.9 -49.0 73.3 34.7 15.2 151 156 A F H >< S+ 0 0 1 -4,-3.0 3,-1.9 1,-0.3 -2,-0.2 0.843 97.9 66.4 -56.3 -38.4 75.8 37.7 15.0 152 157 A N T 3< S+ 0 0 21 -4,-2.2 36,-1.7 1,-0.3 -1,-0.3 0.596 102.7 50.1 -62.1 -8.1 78.4 35.4 13.3 153 158 A C T < S+ 0 0 0 -3,-2.0 -1,-0.3 34,-0.2 -2,-0.2 0.361 79.9 121.2-111.4 2.4 76.0 35.1 10.4 154 159 A L S < S- 0 0 3 -3,-1.9 -38,-0.1 -4,-0.2 -37,-0.1 -0.344 70.2-106.6 -65.6 147.7 75.2 38.8 9.8 155 160 A P - 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