==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-JAN-04 1S70 . COMPND 2 MOLECULE: SERINE/THREONINE PROTEIN PHOSPHATASE PP1-BETA . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.KERFF,M.TERRAK,R.DOMINGUEZ . 600 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27206.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 420 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 5.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 25 4.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 7 1.2 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 . 1 0.2 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 . 37 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 81 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 199 33.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 2.7 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 3 0 0 3 4 5 1 4 0 0 2 1 1 0 0 0 0 0 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 2 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 . 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 1 0 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 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 H 0 0 190 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 143.0 -2.6 6.9 90.3 2 2 A M + 0 0 161 2,-0.0 2,-0.2 1,-0.0 0, 0.0 0.479 360.0 9.3 -23.2 149.7 -0.8 4.3 92.5 3 3 A A + 0 0 95 1,-0.1 -1,-0.0 2,-0.1 0, 0.0 -0.578 64.8 109.8 85.9-141.9 2.8 3.1 92.8 4 4 A D - 0 0 136 -2,-0.2 -1,-0.1 2,-0.0 -2,-0.0 0.154 61.2 -11.7 60.4-171.0 6.0 4.5 91.2 5 5 A G - 0 0 62 2,-0.1 -2,-0.1 1,-0.0 3,-0.0 0.679 62.9 -94.4 -42.9-163.2 9.1 6.3 92.6 6 6 A E S S+ 0 0 193 31,-0.0 2,-0.4 2,-0.0 -1,-0.0 0.855 95.7 77.5 -92.3 -46.0 10.2 8.1 95.8 7 7 A L - 0 0 26 30,-0.1 2,-1.0 1,-0.1 3,-0.2 -0.558 63.7-157.4 -75.0 127.7 9.4 11.7 95.1 8 8 A N >> + 0 0 90 -2,-0.4 4,-1.8 1,-0.2 3,-0.7 -0.797 13.3 178.7-103.1 86.3 5.7 12.4 95.6 9 9 A V H 3>>S+ 0 0 15 -2,-1.0 4,-4.0 1,-0.3 5,-0.5 0.904 79.5 64.0 -54.5 -42.2 5.3 15.6 93.4 10 10 A D H 3>5S+ 0 0 77 1,-0.3 4,-1.6 2,-0.2 -1,-0.3 0.892 105.1 45.5 -48.3 -44.3 1.7 15.6 94.3 11 11 A S H <>5S+ 0 0 50 -3,-0.7 4,-2.2 2,-0.2 -1,-0.3 0.904 120.0 40.1 -67.1 -42.9 2.7 16.1 98.0 12 12 A L H X5S+ 0 0 2 -4,-1.8 4,-2.6 2,-0.2 5,-0.2 0.955 112.2 51.7 -72.2 -53.5 5.2 18.8 97.0 13 13 A I H X5S+ 0 0 17 -4,-4.0 4,-1.4 2,-0.2 -3,-0.2 0.914 113.9 49.3 -49.4 -44.0 3.3 20.7 94.3 14 14 A T H >X S+ 0 0 17 -3,-0.5 3,-1.8 -4,-0.4 2,-0.7 0.373 71.9 124.7 -78.9 7.3 1.1 29.7 100.5 20 20 A R T < S+ 0 0 114 -3,-1.2 3,-0.1 1,-0.3 554,-0.1 -0.575 84.5 15.7 -66.6 112.4 -1.2 31.0 97.8 21 21 A G T 3 S+ 0 0 38 -2,-0.7 -1,-0.3 1,-0.5 2,-0.1 0.150 103.4 110.3 107.9 -21.2 -2.9 33.8 99.8 22 22 A C S < S- 0 0 57 -3,-1.8 -1,-0.5 1,-0.1 4,-0.1 -0.465 86.1 -76.6 -81.7 161.9 -0.3 33.9 102.6 23 23 A R > - 0 0 151 -2,-0.1 3,-1.4 1,-0.1 552,-0.2 -0.279 59.9 -94.3 -60.2 142.4 2.0 36.9 102.9 24 24 A P T 3 S+ 0 0 42 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.224 112.0 35.9 -56.2 146.6 4.8 37.0 100.4 25 25 A G T 3 S+ 0 0 11 1,-0.3 2,-0.4 -3,-0.1 -2,-0.1 0.371 80.0 142.5 88.8 -6.1 8.1 35.5 101.6 26 26 A K < - 0 0 87 -3,-1.4 -1,-0.3 -7,-0.1 2,-0.2 -0.583 51.7-122.0 -71.1 124.2 6.2 32.9 103.6 27 27 A I - 0 0 56 -2,-0.4 2,-0.8 -3,-0.1 -1,-0.1 -0.442 11.3-145.8 -79.0 140.4 8.2 29.7 103.3 28 28 A V - 0 0 7 -2,-0.2 2,-0.1 -12,-0.0 -12,-0.1 -0.888 30.4-142.4-100.1 104.2 7.2 26.3 101.9 29 29 A Q + 0 0 150 -2,-0.8 2,-0.3 -14,-0.1 -14,-0.0 -0.397 31.2 153.1 -74.1 145.8 9.1 23.9 104.1 30 30 A M - 0 0 30 -2,-0.1 2,-0.2 -15,-0.0 -2,-0.0 -0.992 43.1 -86.5-166.0 163.1 10.6 20.7 102.7 31 31 A T >> - 0 0 71 -2,-0.3 4,-2.5 1,-0.1 3,-1.6 -0.531 26.5-134.7 -77.0 138.1 13.2 18.0 102.9 32 32 A E H 3> S+ 0 0 66 1,-0.3 4,-3.4 2,-0.2 -1,-0.1 0.755 112.6 58.1 -62.4 -21.1 16.6 18.5 101.2 33 33 A A H 3> S+ 0 0 58 2,-0.2 4,-0.6 3,-0.2 -1,-0.3 0.695 105.7 47.4 -79.9 -21.3 16.0 14.9 100.0 34 34 A E H <> S+ 0 0 44 -3,-1.6 4,-2.5 2,-0.2 -2,-0.2 0.826 115.4 45.3 -84.8 -36.5 12.8 16.1 98.4 35 35 A V H X S+ 0 0 1 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.967 114.8 47.3 -67.3 -52.5 14.7 19.0 96.9 36 36 A R H X S+ 0 0 60 -4,-3.4 4,-2.1 1,-0.2 -1,-0.2 0.789 111.8 52.8 -58.6 -29.0 17.5 16.7 95.9 37 37 A G H X S+ 0 0 19 -4,-0.6 4,-3.4 2,-0.2 5,-0.3 0.955 105.7 52.1 -70.9 -49.4 14.9 14.4 94.5 38 38 A L H X S+ 0 0 1 -4,-2.5 4,-2.5 1,-0.2 5,-0.3 0.899 111.1 49.3 -50.4 -46.9 13.3 17.1 92.4 39 39 A C H X S+ 0 0 1 -4,-2.3 4,-3.1 1,-0.2 -1,-0.2 0.954 114.7 42.1 -58.8 -55.6 16.7 17.9 90.9 40 40 A I H X S+ 0 0 90 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.874 115.3 49.4 -63.9 -38.3 17.6 14.4 90.0 41 41 A K H X S+ 0 0 77 -4,-3.4 4,-1.1 2,-0.2 -2,-0.2 0.957 117.3 39.5 -68.6 -47.5 14.2 13.5 88.7 42 42 A S H >X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 3,-1.3 0.958 111.4 58.4 -64.7 -48.0 13.9 16.5 86.5 43 43 A R H 3X S+ 0 0 69 -4,-3.1 4,-1.9 -5,-0.3 -1,-0.2 0.856 106.4 50.4 -48.4 -37.2 17.6 16.3 85.5 44 44 A E H 3< S+ 0 0 133 -4,-1.6 4,-0.5 -5,-0.2 -1,-0.3 0.800 109.6 49.8 -73.2 -29.0 16.8 12.8 84.2 45 45 A I H << S+ 0 0 27 -3,-1.3 4,-0.4 -4,-1.1 3,-0.4 0.876 108.5 52.4 -77.5 -38.1 13.8 14.1 82.2 46 46 A F H >< S+ 0 0 0 -4,-2.7 3,-3.0 1,-0.2 -2,-0.2 0.983 108.4 49.9 -58.8 -56.7 15.8 16.9 80.6 47 47 A L T 3< S+ 0 0 70 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.693 107.6 56.8 -55.4 -19.2 18.5 14.5 79.4 48 48 A S T 3 S+ 0 0 88 -4,-0.5 -1,-0.3 -3,-0.4 -2,-0.2 0.506 104.6 60.8 -91.5 -6.5 15.7 12.3 78.0 49 49 A Q S < S- 0 0 16 -3,-3.0 4,-0.1 -4,-0.4 0, 0.0 -0.857 99.7 -86.3-118.6 155.7 14.4 15.2 75.9 50 50 A P - 0 0 82 0, 0.0 3,-0.2 0, 0.0 -1,-0.2 0.062 23.0-130.3 -53.0 164.9 16.3 17.1 73.1 51 51 A I S S+ 0 0 10 1,-0.3 110,-2.6 109,-0.1 111,-1.7 0.673 109.1 50.1 -90.0 -21.5 18.5 20.1 73.9 52 52 A L E S-a 162 0A 3 109,-0.2 -1,-0.3 108,-0.2 111,-0.2 -0.872 94.2-147.4-116.5 90.4 16.6 21.9 71.1 53 53 A L E -a 163 0A 4 109,-2.4 111,-2.3 -2,-0.7 2,-0.7 -0.319 6.7-153.2 -61.9 139.2 13.0 21.3 72.0 54 54 A E E +a 164 0A 98 109,-0.2 111,-0.2 112,-0.0 2,-0.1 -0.873 30.0 177.5-115.2 92.3 10.6 21.0 69.1 55 55 A L E -a 165 0A 21 -2,-0.7 111,-1.6 109,-0.6 2,-0.4 -0.380 20.9-133.6 -96.2 173.9 7.3 22.1 70.7 56 56 A E - 0 0 137 109,-0.2 109,-0.1 2,-0.1 231,-0.1 -0.971 29.1 -90.5-136.8 126.4 3.8 22.6 69.5 57 57 A A S S+ 0 0 2 -2,-0.4 229,-0.2 229,-0.1 2,-0.1 -0.255 86.3 74.2 -60.5 156.2 1.3 25.4 70.0 58 58 A P S S+ 0 0 62 0, 0.0 2,-0.3 0, 0.0 228,-0.3 0.454 75.0 120.3 -77.9 150.8 -0.9 26.2 71.8 59 59 A L E -F 285 0B 9 226,-2.7 226,-3.1 -2,-0.1 2,-0.6 -0.974 57.2-119.7-168.2 162.7 1.3 27.3 74.7 60 60 A K E -Fg 284 87B 35 26,-3.1 28,-1.8 -2,-0.3 2,-0.3 -0.950 26.9-155.3-117.1 111.1 2.1 30.2 77.0 61 61 A I E -Fg 283 88B 0 222,-2.2 222,-2.1 -2,-0.6 2,-0.3 -0.657 11.9-165.9 -88.2 138.2 5.8 31.4 76.9 62 62 A C E - g 0 89B 0 26,-2.4 28,-3.0 -2,-0.3 220,-0.1 -0.919 7.9-147.6-127.4 152.3 7.3 33.2 79.9 63 63 A G - 0 0 0 218,-0.5 28,-0.3 -2,-0.3 204,-0.2 0.016 55.0 -24.2 -96.4-156.2 10.4 35.3 80.5 64 64 A D B +k 267 0C 2 202,-0.6 204,-1.0 26,-0.2 -1,-0.3 -0.059 44.4 174.3 -53.0 153.9 12.6 35.8 83.6 65 65 A I > - 0 0 1 27,-2.8 3,-1.5 26,-0.3 28,-0.2 0.508 16.7-163.6-129.6 -33.9 11.1 35.1 87.1 66 66 A H T 3 - 0 0 2 26,-2.7 31,-0.6 1,-0.3 28,-0.3 0.915 68.9 -52.8 40.3 69.6 14.2 35.5 89.3 67 67 A G T 3 S+ 0 0 0 26,-3.3 32,-2.6 1,-0.2 2,-1.6 0.620 93.6 140.2 48.9 19.3 13.0 33.9 92.4 68 68 A Q X> + 0 0 24 -3,-1.5 4,-2.0 1,-0.2 3,-1.0 -0.483 19.6 167.0 -90.8 68.9 9.9 36.0 92.6 69 69 A Y H 3> + 0 0 1 -2,-1.6 4,-2.8 1,-0.3 5,-0.3 0.895 68.5 59.0 -47.5 -56.1 7.6 33.2 93.7 70 70 A T H 3> S+ 0 0 34 1,-0.3 4,-1.1 -3,-0.2 -1,-0.3 0.838 111.9 43.6 -45.7 -37.4 4.7 35.3 94.8 71 71 A D H <> S+ 0 0 17 -3,-1.0 4,-2.1 2,-0.2 -1,-0.3 0.888 108.2 55.9 -77.4 -41.3 4.6 36.6 91.2 72 72 A L H X S+ 0 0 0 -4,-2.0 4,-2.1 1,-0.3 5,-0.2 0.917 106.7 51.9 -57.5 -42.8 5.1 33.2 89.5 73 73 A L H X S+ 0 0 9 -4,-2.8 4,-1.8 1,-0.2 -1,-0.3 0.913 108.8 51.8 -58.4 -40.7 2.1 31.9 91.4 74 74 A R H < S+ 0 0 44 -4,-1.1 4,-0.5 -5,-0.3 -2,-0.2 0.837 104.9 55.8 -64.8 -33.6 0.3 35.0 90.0 75 75 A L H >X S+ 0 0 3 -4,-2.1 4,-2.8 1,-0.2 3,-1.1 0.939 110.1 44.5 -63.7 -46.9 1.4 34.0 86.5 76 76 A F H 3X S+ 0 0 0 -4,-2.1 4,-1.6 1,-0.3 -1,-0.2 0.816 107.2 59.2 -67.0 -31.1 -0.2 30.6 86.8 77 77 A E H 3< S+ 0 0 103 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.611 113.6 40.5 -71.6 -11.8 -3.3 32.1 88.3 78 78 A Y H <4 S+ 0 0 121 -3,-1.1 -2,-0.2 -4,-0.5 -1,-0.2 0.824 125.8 29.9-102.1 -49.1 -3.6 34.1 85.1 79 79 A G H < S- 0 0 10 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.547 122.3-101.0 -88.7 -7.1 -2.7 31.6 82.4 80 80 A G < - 0 0 8 -4,-1.6 5,-0.3 -5,-0.3 -3,-0.2 0.322 36.9 -83.0 96.0 135.3 -4.0 28.7 84.5 81 81 A F S > S- 0 0 30 3,-0.1 3,-2.0 1,-0.1 4,-0.1 -0.420 72.4 -59.5 -69.3 142.5 -2.0 26.2 86.6 82 82 A P T 3 S+ 0 0 10 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 -0.268 121.7 28.9 -58.0 150.5 -0.6 23.3 84.8 83 83 A P T 3 S+ 0 0 64 0, 0.0 -2,-0.1 0, 0.0 -3,-0.0 -0.941 106.4 79.6 -86.3 15.2 -1.8 21.1 83.1 84 84 A E S < S+ 0 0 151 -3,-2.0 2,-0.3 1,-0.1 -3,-0.1 0.868 110.3 11.1 -47.3 -43.5 -4.5 23.6 82.3 85 85 A A S S- 0 0 17 -5,-0.3 2,-0.4 -4,-0.1 -26,-0.1 -0.926 85.7-103.3-135.5 159.2 -2.2 25.2 79.7 86 86 A N - 0 0 48 -2,-0.3 -26,-3.1 -28,-0.1 2,-0.3 -0.691 40.9-157.5 -84.0 133.7 1.1 24.3 78.1 87 87 A Y E +gh 60 118B 1 30,-2.2 32,-1.3 -2,-0.4 2,-0.3 -0.886 21.3 179.5-118.9 147.4 4.0 26.3 79.5 88 88 A L E -gh 61 119B 0 -28,-1.8 -26,-2.4 -2,-0.3 2,-0.3 -0.840 13.0-163.7-143.3 99.9 7.5 27.3 78.2 89 89 A F E -gh 62 120B 0 30,-2.3 32,-1.7 -2,-0.3 -26,-0.2 -0.698 12.7-147.6 -88.6 139.2 9.7 29.3 80.5 90 90 A L - 0 0 0 -28,-3.0 157,-0.2 -2,-0.3 2,-0.2 0.230 49.5 -96.6 -90.9 12.9 12.7 31.1 78.9 91 91 A G S S+ 0 0 0 -28,-0.3 -26,-0.3 32,-0.1 -1,-0.3 -0.537 81.4 101.5 111.7-176.4 15.1 30.9 81.9 92 92 A D + 0 0 2 -28,-0.2 -27,-2.8 -2,-0.2 -26,-2.7 0.974 35.3 154.7 52.9 71.4 16.4 32.9 84.9 93 93 A Y + 0 0 0 -28,-0.2 -26,-3.3 -29,-0.2 2,-0.2 0.655 58.0 45.9 -97.8 -20.5 14.3 31.4 87.7 94 94 A V S S+ 0 0 0 -28,-0.3 -28,-0.2 -27,-0.1 -29,-0.1 -0.556 76.9 56.2-117.5-179.1 16.8 32.1 90.5 95 95 A D S S+ 0 0 0 -2,-0.2 2,-2.1 1,-0.2 40,-0.2 0.398 93.1 30.1 72.7 148.7 18.9 35.0 91.8 96 96 A R S S+ 0 0 139 38,-1.9 -1,-0.2 1,-0.1 -29,-0.1 -0.464 97.9 86.6 74.8 -72.1 17.8 38.5 92.9 97 97 A G S S- 0 0 19 -2,-2.1 3,-0.3 -31,-0.6 -29,-0.2 0.211 84.6-114.9 -49.6 178.6 14.3 37.6 94.0 98 98 A K S S+ 0 0 139 -31,-0.4 2,-0.4 1,-0.2 3,-0.2 0.804 101.6 41.0 -90.6 -33.5 13.5 36.4 97.6 99 99 A Q > + 0 0 9 -32,-2.6 4,-1.9 1,-0.2 -30,-0.2 -0.580 54.7 144.6-120.8 72.9 12.3 32.9 96.9 100 100 A S H > S+ 0 0 0 -2,-0.4 4,-3.2 -3,-0.3 5,-0.3 0.905 79.2 54.5 -70.0 -40.3 14.4 31.1 94.2 101 101 A L H > S+ 0 0 3 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.950 110.5 42.5 -58.3 -54.5 14.0 27.9 96.1 102 102 A E H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.928 117.9 49.7 -57.9 -45.1 10.2 27.9 96.1 103 103 A T H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.917 114.0 39.9 -61.9 -51.3 10.2 29.1 92.5 104 104 A I H X S+ 0 0 1 -4,-3.2 4,-3.4 2,-0.2 5,-0.3 0.945 112.9 55.4 -67.2 -47.7 12.5 26.6 91.0 105 105 A C H X S+ 0 0 3 -4,-2.2 4,-3.6 -5,-0.3 5,-0.2 0.919 109.7 46.2 -50.1 -51.4 11.1 23.6 93.0 106 106 A L H X S+ 0 0 0 -4,-1.9 4,-2.8 -5,-0.3 -1,-0.2 0.917 113.5 49.8 -58.7 -44.8 7.6 24.3 91.8 107 107 A L H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.962 115.4 42.2 -59.0 -52.9 8.8 24.7 88.2 108 108 A L H X S+ 0 0 2 -4,-3.4 4,-2.0 2,-0.2 -2,-0.2 0.928 112.0 55.7 -60.5 -45.9 10.8 21.4 88.4 109 109 A A H >X S+ 0 0 0 -4,-3.6 4,-2.8 -5,-0.3 3,-0.6 0.939 110.4 44.6 -50.5 -53.5 7.9 19.7 90.2 110 110 A Y H 3X S+ 0 0 6 -4,-2.8 4,-2.4 1,-0.3 -1,-0.3 0.817 107.4 60.2 -61.9 -30.9 5.6 20.6 87.3 111 111 A K H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.873 110.8 41.6 -64.7 -33.9 8.2 19.6 84.9 112 112 A I H << S+ 0 0 14 -4,-2.0 -2,-0.2 -3,-0.6 -1,-0.2 0.946 114.5 49.2 -77.4 -51.4 8.1 16.1 86.4 113 113 A K H < S+ 0 0 75 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.921 130.1 19.2 -54.3 -51.0 4.3 15.9 86.8 114 114 A Y S >X S+ 0 0 60 -4,-2.4 3,-1.7 -5,-0.2 4,-1.3 -0.593 72.7 166.8-124.3 70.1 3.5 17.0 83.2 115 115 A P T 34 S+ 0 0 37 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.529 78.7 45.4 -60.5 -10.2 6.9 16.4 81.3 116 116 A E T 34 S+ 0 0 130 -3,-0.1 3,-0.1 -4,-0.1 -5,-0.1 0.365 118.8 38.7-116.2 2.2 5.3 16.8 77.9 117 117 A N T <4 S+ 0 0 61 -3,-1.7 -30,-2.2 1,-0.2 2,-0.4 0.348 109.9 65.0-127.0 -4.3 3.2 19.9 78.6 118 118 A F E < +h 87 0B 0 -4,-1.3 2,-0.4 -7,-0.2 -30,-0.2 -0.985 60.4 177.6-127.4 132.0 5.8 21.8 80.8 119 119 A F E -h 88 0B 15 -32,-1.3 -30,-2.3 -2,-0.4 2,-0.4 -0.988 13.9-168.7-140.6 143.6 9.1 23.1 79.7 120 120 A L E -h 89 0B 1 -2,-0.4 2,-0.2 -32,-0.2 -30,-0.2 -0.994 8.8-163.1-129.1 130.5 12.1 25.0 81.1 121 121 A L - 0 0 0 -32,-1.7 2,-0.5 -2,-0.4 40,-0.2 -0.622 33.1 -94.9-103.2 171.6 14.9 26.4 79.1 122 122 A R - 0 0 0 38,-1.5 51,-0.5 -2,-0.2 2,-0.2 -0.753 35.1-163.1 -92.9 126.6 18.2 27.6 80.6 123 123 A G > - 0 0 0 -2,-0.5 3,-1.5 50,-0.1 -32,-0.1 -0.507 39.3-101.3 -96.1 172.6 18.7 31.2 81.5 124 124 A N T 3 S+ 0 0 4 81,-0.4 3,-0.3 1,-0.3 6,-0.2 0.688 121.6 65.5 -68.7 -15.4 22.1 32.7 82.1 125 125 A H T 3 S+ 0 0 16 1,-0.2 -1,-0.3 5,-0.1 -31,-0.1 0.240 79.2 84.3 -89.2 14.4 21.5 32.4 85.8 126 126 A E S < S+ 0 0 0 -3,-1.5 2,-0.4 30,-0.1 -1,-0.2 -0.234 71.6 92.1-108.2 41.9 21.5 28.7 85.5 127 127 A C S >> S- 0 0 3 -3,-0.3 4,-2.1 1,-0.1 3,-1.8 -0.998 75.0-138.1-136.0 128.6 25.3 28.5 85.8 128 128 A A H 3> S+ 0 0 22 -2,-0.4 4,-0.9 1,-0.3 5,-0.2 0.864 100.8 75.2 -52.7 -34.6 27.0 28.0 89.1 129 129 A S H 34 S+ 0 0 64 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.794 113.4 14.7 -47.8 -36.8 29.4 30.7 87.7 130 130 A I H X> S+ 0 0 21 -3,-1.8 4,-1.4 -6,-0.2 3,-0.9 0.761 115.1 62.5-116.6 -31.3 26.9 33.4 88.4 131 131 A N H 3< S+ 0 0 0 -4,-2.1 6,-1.8 1,-0.3 5,-0.4 0.555 98.4 66.9 -74.0 0.1 24.0 32.4 90.6 132 132 A R T 3< S+ 0 0 109 -4,-0.9 3,-0.4 -5,-0.3 -1,-0.3 0.838 106.7 39.4 -79.5 -36.7 26.8 31.9 93.2 133 133 A I T <4 S+ 0 0 112 -3,-0.9 -2,-0.2 -5,-0.2 -1,-0.1 0.675 112.4 57.7 -85.8 -21.8 27.3 35.7 93.0 134 134 A Y S < S- 0 0 96 -4,-1.4 -38,-1.9 -9,-0.1 -1,-0.2 -0.058 116.4 -88.5-108.5 36.8 23.6 36.7 92.9 135 135 A G S > S+ 0 0 31 -3,-0.4 4,-2.8 -40,-0.2 5,-0.2 0.005 101.5 98.1 93.4 -30.6 21.9 35.2 95.9 136 136 A F H > S+ 0 0 0 -5,-0.4 4,-1.3 2,-0.2 -4,-0.2 0.882 87.7 51.4 -62.2 -36.3 20.8 31.7 94.9 137 137 A Y H >> S+ 0 0 22 -6,-1.8 4,-2.8 2,-0.2 3,-0.5 0.960 113.3 44.1 -61.6 -52.5 24.0 30.2 96.6 138 138 A D H 3> S+ 0 0 83 1,-0.2 4,-1.9 -6,-0.2 -2,-0.2 0.871 110.8 54.0 -61.0 -39.4 23.3 32.1 99.8 139 139 A E H 3X S+ 0 0 12 -4,-2.8 4,-0.8 2,-0.2 -1,-0.2 0.759 113.6 44.3 -68.8 -23.3 19.6 31.2 99.7 140 140 A C H XX S+ 0 0 0 -4,-1.3 4,-2.8 -3,-0.5 3,-0.7 0.945 116.1 42.8 -81.0 -57.4 20.6 27.5 99.4 141 141 A K H 3< S+ 0 0 94 -4,-2.8 -2,-0.2 1,-0.3 -3,-0.2 0.762 111.4 60.3 -59.2 -25.1 23.3 27.5 102.0 142 142 A R H 3< S+ 0 0 160 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.869 120.3 22.6 -72.0 -38.9 21.0 29.6 104.2 143 143 A R H << S- 0 0 54 -4,-0.8 -2,-0.2 -3,-0.7 -1,-0.2 0.507 142.8 -9.9-105.9 -8.7 18.3 26.9 104.2 144 144 A F S < S- 0 0 48 -4,-2.8 2,-0.3 -112,-0.0 -3,-0.1 -0.115 91.9 -64.3-148.0-111.6 20.4 23.8 103.5 145 145 A N >> - 0 0 52 -2,-0.1 4,-1.6 1,-0.0 3,-0.9 -0.989 38.5 -99.5-157.0 162.5 24.0 23.4 102.4 146 146 A I H 3> S+ 0 0 68 -2,-0.3 4,-2.1 1,-0.3 5,-0.1 0.757 118.7 60.3 -55.4 -26.9 26.4 24.0 99.5 147 147 A K H 3> S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.875 99.7 52.6 -72.8 -36.4 25.9 20.4 98.4 148 148 A L H <> S+ 0 0 0 -3,-0.9 4,-1.6 1,-0.2 -1,-0.2 0.903 109.4 53.3 -63.2 -36.5 22.2 20.9 97.8 149 149 A W H X S+ 0 0 24 -4,-1.6 4,-2.1 1,-0.2 3,-0.4 0.941 105.5 51.4 -60.2 -48.7 23.4 23.8 95.7 150 150 A K H X S+ 0 0 108 -4,-2.1 4,-2.2 1,-0.3 -1,-0.2 0.785 105.1 57.3 -62.3 -25.9 25.8 21.6 93.7 151 151 A T H X S+ 0 0 17 -4,-1.7 4,-1.2 2,-0.2 -1,-0.3 0.885 106.5 48.0 -72.0 -37.5 22.9 19.3 93.0 152 152 A F H X S+ 0 0 1 -4,-1.6 4,-3.2 -3,-0.4 5,-0.3 0.894 109.2 56.1 -65.1 -40.0 20.9 22.1 91.5 153 153 A T H X S+ 0 0 19 -4,-2.1 4,-2.1 1,-0.3 -2,-0.2 0.933 104.5 50.3 -57.1 -49.0 24.1 22.9 89.5 154 154 A D H < S+ 0 0 79 -4,-2.2 -1,-0.3 1,-0.2 -2,-0.2 0.817 114.5 47.6 -61.2 -27.4 24.1 19.4 88.1 155 155 A C H >< S+ 0 0 0 -4,-1.2 3,-3.4 -3,-0.2 4,-0.4 0.976 108.4 48.9 -77.3 -58.4 20.5 19.9 87.2 156 156 A F H >< S+ 0 0 2 -4,-3.2 3,-1.6 1,-0.3 -2,-0.2 0.828 102.7 66.5 -49.7 -35.2 20.7 23.3 85.5 157 157 A N T 3< S+ 0 0 22 -4,-2.1 36,-1.2 -5,-0.3 -1,-0.3 0.594 101.3 49.4 -63.2 -11.9 23.6 21.9 83.6 158 158 A C T < S+ 0 0 0 -3,-3.4 -1,-0.3 34,-0.2 -2,-0.2 0.458 82.0 122.2-107.2 -3.4 21.1 19.6 81.9 159 159 A L < - 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