==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-FEB-07 2JFR . COMPND 2 MOLECULE: SER-THR PHOSPHATASE MSPP; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM SMEGMATIS; . AUTHOR M.BELLINZONI,A.WEHENKEL,W.SHEPARD,P.M.ALZARI . 234 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10447.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 158 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 23.9 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 0.9 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 . 14 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 25.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 1 1 0 0 0 0 0 1 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 0 4 2 1 0 1 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 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 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 0 A G 0 0 131 0, 0.0 2,-0.3 0, 0.0 233,-0.0 0.000 360.0 360.0 360.0 168.4 40.3 27.1 5.4 2 1 A M - 0 0 141 232,-0.3 4,-0.1 1,-0.1 232,-0.1 -0.613 360.0-116.0 -95.2 148.0 42.7 25.5 7.8 3 2 A A - 0 0 60 -2,-0.3 231,-0.3 2,-0.1 3,-0.1 -0.292 29.0-115.1 -64.7 159.1 45.1 27.0 10.3 4 3 A S S S+ 0 0 37 1,-0.2 230,-1.8 230,-0.2 2,-0.6 0.873 109.4 40.4 -67.6 -39.4 48.9 26.4 9.9 5 4 A V E +A 233 0A 32 228,-0.3 228,-0.2 229,-0.2 -1,-0.2 -0.970 64.6 179.8-110.6 120.0 49.0 24.4 13.1 6 5 A L E - 0 0 84 226,-2.8 2,-0.3 -2,-0.6 227,-0.2 0.890 66.2 -35.3 -83.0 -48.4 46.0 22.0 13.5 7 6 A S E -A 232 0A 50 225,-1.1 225,-2.9 2,-0.0 -1,-0.3 -0.982 52.7-153.6-167.1 169.9 47.1 20.6 16.8 8 7 A A E -A 231 0A 36 -2,-0.3 2,-0.3 223,-0.2 223,-0.2 -0.975 7.2-170.8-147.7 157.1 50.1 19.5 18.8 9 8 A A E -A 230 0A 11 221,-2.2 221,-2.8 -2,-0.3 2,-0.3 -0.988 3.8-160.5-149.1 156.9 50.9 17.1 21.6 10 9 A T E +A 229 0A 62 -2,-0.3 2,-0.3 219,-0.2 219,-0.2 -0.967 7.9 177.2-137.2 155.6 53.7 16.3 23.9 11 10 A A E -A 228 0A 17 217,-2.2 217,-2.6 -2,-0.3 2,-0.4 -0.983 5.7-169.2-151.5 150.6 54.9 13.4 26.1 12 11 A T E -A 227 0A 72 -2,-0.3 2,-0.4 215,-0.2 215,-0.2 -0.999 1.1-170.4-141.6 146.5 57.8 12.7 28.2 13 12 A D E -A 226 0A 36 213,-2.5 213,-2.3 -2,-0.4 10,-0.1 -0.988 16.0-160.0-139.4 120.0 59.0 9.5 29.9 14 13 A Q - 0 0 82 -2,-0.4 4,-0.4 211,-0.2 3,-0.3 0.874 38.9-148.5 -64.3 -39.1 61.7 9.1 32.4 15 14 A G - 0 0 13 1,-0.2 207,-0.1 2,-0.1 208,-0.1 -0.091 26.6 -80.3 81.0 171.8 62.1 5.4 31.7 16 15 A P S S+ 0 0 94 0, 0.0 -1,-0.2 0, 0.0 207,-0.1 0.451 118.8 48.9 -90.0 2.2 63.1 2.7 34.1 17 16 A V S S+ 0 0 91 205,-0.9 206,-0.1 -3,-0.3 -2,-0.1 0.829 88.8 75.8-108.0 -56.3 66.9 3.3 34.0 18 17 A R - 0 0 106 204,-0.5 206,-0.1 -4,-0.4 3,-0.0 -0.369 66.0-144.6 -65.5 142.1 67.7 6.9 34.5 19 18 A E S S+ 0 0 181 -2,-0.1 2,-0.3 1,-0.1 -1,-0.1 0.653 83.5 29.1 -83.7 -11.2 67.4 8.3 38.0 20 19 A N S S- 0 0 87 -6,-0.1 2,-0.9 23,-0.0 205,-0.1 -0.971 74.7-125.8-139.4 154.4 66.1 11.7 36.7 21 20 A N + 0 0 45 -2,-0.3 -7,-0.1 1,-0.1 -6,-0.1 -0.887 33.5 171.9 -96.2 101.7 64.1 12.9 33.8 22 21 A Q + 0 0 26 -2,-0.9 15,-2.5 15,-0.2 24,-0.2 0.317 45.8 98.4 -96.9 8.5 66.5 15.6 32.5 23 22 A D E -E 36 0B 11 13,-0.2 2,-0.3 23,-0.1 13,-0.2 -0.573 51.3-174.1 -86.0 159.9 64.5 16.2 29.3 24 23 A A E -E 35 0B 19 11,-2.1 11,-2.6 -2,-0.2 2,-0.3 -0.980 3.4-163.6-146.0 156.4 62.1 19.1 29.1 25 24 A C E -E 34 0B 41 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.946 5.5-159.8-143.9 162.9 59.6 20.2 26.4 26 25 A L E +E 33 0B 27 7,-2.3 7,-2.5 -2,-0.3 2,-0.3 -0.997 10.8 173.7-142.6 137.2 57.6 23.3 25.4 27 26 A A E +E 32 0B 49 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.901 24.6 143.9-146.1 109.0 54.5 23.6 23.2 28 27 A D E > -E 31 0B 97 3,-3.0 3,-2.3 -2,-0.3 2,-0.5 -0.828 66.6 -47.0-159.2 109.1 53.1 27.2 23.2 29 28 A G T 3 S- 0 0 54 -2,-0.3 -1,-0.0 1,-0.3 68,-0.0 -0.466 123.3 -21.2 69.3-117.9 51.4 29.0 20.4 30 29 A I T 3 S+ 0 0 56 -2,-0.5 67,-2.7 -3,-0.1 2,-0.5 0.426 120.0 95.9-101.2 2.6 53.7 28.6 17.3 31 30 A L E < +EF 28 96B 3 -3,-2.3 -3,-3.0 65,-0.2 2,-0.4 -0.857 45.6 169.4-104.4 130.5 56.8 27.7 19.5 32 31 A Y E +EF 27 95B 14 63,-2.6 63,-3.1 -2,-0.5 2,-0.3 -0.988 7.6 164.4-135.8 140.9 57.7 24.1 20.2 33 32 A A E -EF 26 94B 0 -7,-2.5 -7,-2.3 -2,-0.4 2,-0.4 -0.999 25.9-157.0-158.6 155.4 60.9 22.7 21.7 34 33 A V E -EF 25 93B 0 59,-2.2 59,-2.5 -2,-0.3 2,-0.4 -0.993 11.2-170.9-127.6 141.2 62.7 19.9 23.3 35 34 A A E -E 24 0B 0 -11,-2.6 -11,-2.1 -2,-0.4 2,-0.7 -0.994 6.8-160.6-131.8 123.8 65.8 20.2 25.6 36 35 A D E -E 23 0B 11 -2,-0.4 55,-2.2 -13,-0.2 -13,-0.2 -0.899 16.6-155.1-107.6 104.3 67.7 17.2 26.7 37 36 A G E -I 90 0C 3 -15,-2.5 2,-0.3 -2,-0.7 53,-0.3 -0.428 10.2-169.5 -76.6 157.0 69.8 18.0 29.7 38 37 A F E +I 89 0C 63 51,-2.6 51,-1.8 4,-0.1 3,-0.3 -0.967 39.9 36.4-140.9 159.9 73.0 16.2 30.8 39 38 A G S > S- 0 0 29 -2,-0.3 3,-2.1 49,-0.2 4,-0.3 -0.230 103.1 -49.2 89.5 179.2 75.2 16.1 33.8 40 39 A A T 3 S+ 0 0 70 1,-0.3 -1,-0.2 47,-0.2 3,-0.2 0.784 143.9 31.8 -58.9 -28.9 74.5 16.4 37.5 41 40 A R T 3> S+ 0 0 70 -3,-0.3 4,-2.0 1,-0.1 -1,-0.3 -0.040 79.1 126.0-119.3 33.8 72.3 19.4 37.0 42 41 A G H <> S+ 0 0 0 -3,-2.1 4,-2.4 1,-0.2 5,-0.2 0.826 71.9 57.4 -62.3 -32.1 71.0 18.5 33.5 43 42 A H H > S+ 0 0 62 -4,-0.3 4,-2.3 1,-0.2 5,-0.3 0.916 107.2 48.0 -61.1 -42.9 67.4 18.9 34.7 44 43 A H H > S+ 0 0 74 -3,-0.3 4,-2.4 1,-0.2 5,-0.3 0.908 110.9 52.5 -64.4 -38.8 68.2 22.4 35.8 45 44 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.937 113.1 40.9 -62.6 -51.8 69.8 23.1 32.4 46 45 A S H X S+ 0 0 2 -4,-2.4 4,-2.1 43,-0.3 5,-0.2 0.925 117.3 47.5 -68.5 -43.0 66.9 21.9 30.2 47 46 A A H X S+ 0 0 55 -4,-2.3 4,-2.2 -5,-0.2 5,-0.2 0.922 114.8 45.9 -63.9 -43.9 64.2 23.5 32.4 48 47 A T H X S+ 0 0 35 -4,-2.4 4,-2.5 -5,-0.3 5,-0.3 0.912 109.7 54.9 -66.7 -41.5 66.0 26.8 32.6 49 48 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 -5,-0.3 -1,-0.2 0.921 111.8 43.7 -56.5 -45.9 66.7 26.9 28.9 50 49 A L H X S+ 0 0 11 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.875 111.6 52.5 -71.8 -35.5 63.1 26.4 28.0 51 50 A K H X S+ 0 0 170 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.925 115.0 42.7 -61.3 -45.9 61.8 29.0 30.5 52 51 A T H X S+ 0 0 32 -4,-2.5 4,-2.6 -5,-0.2 -2,-0.2 0.910 113.5 51.9 -67.6 -41.3 64.2 31.5 29.1 53 52 A L H X S+ 0 0 0 -4,-2.5 4,-2.7 -5,-0.3 5,-0.3 0.933 109.6 49.9 -58.4 -49.2 63.4 30.6 25.6 54 53 A S H X S+ 0 0 33 -4,-2.7 4,-2.3 1,-0.2 -1,-0.2 0.929 113.3 45.3 -58.0 -48.0 59.7 30.9 26.1 55 54 A A H X S+ 0 0 63 -4,-2.1 4,-1.6 -5,-0.2 -1,-0.2 0.915 113.9 48.6 -65.6 -40.7 60.1 34.4 27.7 56 55 A G H X S+ 0 0 24 -4,-2.6 4,-0.9 2,-0.2 -2,-0.2 0.898 111.8 48.1 -68.5 -39.9 62.5 35.7 25.1 57 56 A F H >< S+ 0 0 15 -4,-2.7 3,-0.8 1,-0.2 -1,-0.2 0.917 109.1 54.2 -67.2 -38.6 60.3 34.5 22.2 58 57 A A H 3< S+ 0 0 77 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.856 108.1 50.4 -62.2 -34.0 57.2 36.0 23.8 59 58 A A H 3< S+ 0 0 87 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.722 132.4 12.6 -73.8 -21.5 59.1 39.3 24.0 60 59 A A S << S- 0 0 39 -4,-0.9 2,-2.2 -3,-0.8 -1,-0.3 -0.524 70.9-172.4-156.5 75.3 60.1 39.2 20.3 61 60 A P + 0 0 67 0, 0.0 2,-0.3 0, 0.0 -4,-0.1 -0.409 52.9 89.3 -84.9 71.1 58.3 36.5 18.3 62 61 A D S > S- 0 0 68 -2,-2.2 4,-2.3 1,-0.1 5,-0.2 -0.873 93.5 -84.7-144.6 179.7 60.2 36.6 15.0 63 62 A R H > S+ 0 0 113 -2,-0.3 4,-2.4 39,-0.3 5,-0.2 0.949 127.5 44.9 -58.8 -50.3 63.3 34.9 13.6 64 63 A D H > S+ 0 0 113 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.904 112.9 52.8 -63.9 -35.1 65.8 37.3 15.2 65 64 A G H > S+ 0 0 6 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.860 108.0 50.3 -66.2 -36.8 63.9 37.2 18.5 66 65 A L H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.933 111.4 47.8 -64.7 -46.0 64.0 33.4 18.5 67 66 A L H X S+ 0 0 39 -4,-2.4 4,-2.1 1,-0.2 -2,-0.2 0.914 112.2 49.9 -62.5 -41.7 67.7 33.4 17.9 68 67 A E H X S+ 0 0 98 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.898 108.4 53.6 -59.9 -41.6 68.2 36.1 20.6 69 68 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.874 107.4 50.4 -65.5 -36.3 66.1 33.9 23.0 70 69 A V H X S+ 0 0 1 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.916 110.7 49.7 -66.6 -41.8 68.4 30.9 22.3 71 70 A Q H X S+ 0 0 60 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.916 111.9 48.0 -60.6 -43.5 71.4 33.1 23.0 72 71 A Q H X S+ 0 0 86 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.889 109.1 53.3 -67.0 -37.0 69.8 34.3 26.3 73 72 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.929 109.6 49.5 -60.7 -45.6 69.0 30.7 27.3 74 73 A N H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.937 112.9 46.0 -56.2 -50.4 72.6 29.8 26.7 75 74 A L H X S+ 0 0 54 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.901 112.4 49.8 -64.8 -42.2 73.9 32.7 28.8 76 75 A R H X S+ 0 0 103 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.931 112.9 46.1 -65.9 -43.6 71.5 32.1 31.6 77 76 A V H X S+ 0 0 1 -4,-2.5 4,-2.6 -5,-0.2 5,-0.4 0.928 114.1 48.8 -62.2 -44.0 72.2 28.4 31.9 78 77 A F H X S+ 0 0 62 -4,-2.5 4,-2.3 -5,-0.3 -2,-0.2 0.912 109.7 51.8 -65.4 -38.9 76.0 29.1 31.8 79 78 A E H < S+ 0 0 97 -4,-2.8 4,-0.2 1,-0.2 -1,-0.2 0.888 116.9 40.5 -63.1 -36.7 75.7 31.8 34.4 80 79 A L H < S+ 0 0 71 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.858 130.9 21.1 -79.6 -33.9 73.9 29.4 36.7 81 80 A L H >< S+ 0 0 7 -4,-2.6 3,-1.9 80,-0.2 7,-0.2 0.502 93.4 93.7-115.3 -10.4 75.8 26.2 36.1 82 81 A G T 3< S+ 0 0 34 -4,-2.3 -3,-0.1 -5,-0.4 -1,-0.1 0.696 83.3 56.0 -68.4 -18.0 79.2 27.1 34.8 83 82 A D T 3 S+ 0 0 159 -4,-0.2 -1,-0.3 -5,-0.2 -2,-0.1 0.367 80.5 116.0 -93.2 4.9 80.9 27.2 38.1 84 83 A E S < S- 0 0 71 -3,-1.9 4,-0.1 1,-0.1 -3,-0.0 -0.329 77.8-116.1 -65.8 157.4 80.0 23.6 39.0 85 84 A P S S+ 0 0 118 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.614 99.7 33.5 -75.0 -13.4 82.8 21.1 39.4 86 85 A T S S- 0 0 84 2,-0.0 2,-0.4 0, 0.0 -2,-0.1 -0.920 97.7 -94.4-134.1 162.6 81.6 19.1 36.5 87 86 A V + 0 0 95 -2,-0.3 2,-0.3 -4,-0.1 -47,-0.2 -0.643 39.2 173.8 -84.5 128.0 79.9 20.2 33.3 88 87 A S + 0 0 3 -2,-0.4 2,-0.3 -7,-0.2 -49,-0.2 -0.943 18.1 132.2-121.6 151.7 76.1 20.2 33.0 89 88 A G E -I 38 0C 0 -51,-1.8 -51,-2.6 -2,-0.3 2,-0.3 -0.914 35.9-119.8-171.9-164.3 74.2 21.6 30.0 90 89 A T E -IJ 37 160C 0 70,-2.2 70,-3.0 -53,-0.3 -53,-0.3 -0.999 11.5-121.3-155.0 153.0 71.5 20.8 27.5 91 90 A T - 0 0 1 -55,-2.2 2,-0.3 -2,-0.3 20,-0.2 -0.492 29.9-162.4 -75.3 166.7 70.5 20.2 23.9 92 91 A L E + G 0 110B 2 18,-2.7 18,-2.6 -57,-0.2 2,-0.4 -0.889 17.1 176.0-154.5 128.7 67.9 22.5 22.5 93 92 A T E -FG 34 109B 1 -59,-2.5 -59,-2.2 -2,-0.3 2,-0.4 -0.987 15.2-178.9-127.3 119.2 65.8 22.1 19.3 94 93 A A E -FG 33 108B 0 14,-2.9 14,-2.7 -2,-0.4 2,-0.4 -0.959 10.2-165.5-121.9 137.2 63.1 24.8 18.8 95 94 A V E -FG 32 107B 0 -63,-3.1 -63,-2.6 -2,-0.4 2,-0.5 -0.984 2.6-167.9-119.5 130.4 60.6 25.1 16.0 96 95 A A E -FG 31 106B 0 10,-2.5 10,-2.4 -2,-0.4 2,-2.0 -0.983 14.9-149.0-115.5 119.1 58.7 28.2 15.3 97 96 A V + 0 0 6 -67,-2.7 2,-0.1 -2,-0.5 -66,-0.1 -0.494 32.0 178.4 -87.0 67.6 55.8 27.6 12.9 98 97 A F - 0 0 4 -2,-2.0 -36,-0.0 6,-0.3 -2,-0.0 -0.398 29.7-114.3 -67.0 148.7 56.0 31.1 11.4 99 98 A E > > - 0 0 98 5,-0.2 5,-2.3 -2,-0.1 3,-1.7 -0.316 39.0 -97.0 -67.7 163.6 53.7 32.2 8.6 100 99 A P G > 5S+ 0 0 106 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 0.861 123.1 64.1 -52.7 -37.6 55.3 33.0 5.2 101 100 A G G 3 5S+ 0 0 81 1,-0.3 -3,-0.0 2,-0.1 0, 0.0 0.771 104.6 46.2 -63.0 -22.6 55.4 36.7 6.0 102 101 A Q G < 5S- 0 0 92 -3,-1.7 -1,-0.3 -40,-0.0 -39,-0.3 0.179 135.6 -87.3-102.3 19.7 57.8 35.9 8.9 103 102 A G T < 5 - 0 0 70 -3,-2.2 -2,-0.1 -4,-0.1 -4,-0.0 0.342 67.4 -94.1 95.1 -1.1 59.9 33.7 6.7 104 103 A G S - C 0 122A 82 3,-2.3 3,-2.2 -2,-0.6 60,-0.1 -0.986 64.2 -13.1-143.7 125.7 55.1 12.9 5.2 120 119 A D T 3 S- 0 0 155 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.859 129.7 -49.8 51.5 37.4 53.2 10.3 3.2 121 120 A G T 3 S+ 0 0 49 1,-0.3 2,-0.4 77,-0.0 -1,-0.3 0.405 114.3 113.9 90.0 -6.2 54.2 7.6 5.7 122 121 A H E < -C 119 0A 139 -3,-2.2 -3,-2.3 2,-0.0 2,-0.5 -0.815 49.2-157.9-102.2 143.5 57.9 8.4 5.7 123 122 A M E +C 118 0A 25 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.982 18.4 173.8-114.4 118.9 59.8 9.8 8.7 124 123 A E E -C 117 0A 97 -7,-2.3 -7,-2.4 -2,-0.5 2,-0.5 -0.983 31.3-121.3-135.1 146.6 63.0 11.7 8.0 125 124 A Q E -C 116 0A 28 -2,-0.4 -9,-0.3 -9,-0.2 19,-0.0 -0.688 22.2-175.6 -83.0 126.0 65.4 13.6 10.1 126 125 A L + 0 0 56 -11,-3.0 2,-0.2 -2,-0.5 -10,-0.2 0.708 59.8 66.0 -96.2 -23.5 65.9 17.2 9.1 127 126 A T S S- 0 0 6 -12,-0.9 2,-0.3 42,-0.0 -2,-0.0 -0.630 77.7-119.4-100.8 155.6 68.5 18.4 11.5 128 127 A D - 0 0 44 -2,-0.2 2,-0.5 -19,-0.1 41,-0.1 -0.735 26.4-125.6 -90.3 144.0 72.1 17.4 12.0 129 128 A D - 0 0 19 -2,-0.3 2,-1.6 5,-0.2 -17,-0.3 -0.810 9.7-142.8 -89.6 126.5 73.2 15.9 15.3 130 129 A H + 0 0 0 -19,-2.7 27,-2.3 -2,-0.5 28,-1.0 -0.625 65.3 104.8 -90.1 75.9 76.1 17.7 17.0 131 130 A S B > S-K 156 0D 3 -2,-1.6 4,-2.7 25,-0.3 5,-0.3 -0.937 89.4 -96.8-143.2 168.7 77.7 14.6 18.3 132 131 A V H > S+ 0 0 53 23,-2.3 4,-1.3 20,-0.6 21,-0.2 0.948 128.0 41.6 -58.1 -44.7 80.7 12.6 17.4 133 132 A A H > S+ 0 0 2 19,-0.5 4,-1.6 22,-0.2 -1,-0.2 0.926 113.5 52.4 -66.4 -42.3 78.4 10.2 15.4 134 133 A G H > S+ 0 0 3 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.850 104.5 55.6 -65.9 -31.9 76.3 13.0 14.0 135 134 A E H X S+ 0 0 56 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.862 104.0 55.6 -69.6 -33.1 79.4 14.8 12.7 136 135 A L H <>S+ 0 0 35 -4,-1.3 5,-2.9 -5,-0.3 6,-0.9 0.870 107.3 48.8 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77.8 21.4 20.7 159 158 A A - 0 0 4 -2,-0.3 3,-0.5 -3,-0.1 2,-0.4 -0.985 33.7-112.1-156.6 156.0 75.6 22.2 23.7 160 159 A L B S+J 90 0C 0 -70,-3.0 -70,-2.2 -2,-0.3 -111,-0.1 -0.717 93.5 22.0 -92.2 138.8 73.7 25.0 25.4 161 160 A G S S+ 0 0 1 2,-0.4 -80,-0.2 -2,-0.4 -1,-0.2 0.462 90.5 99.9 91.9 5.4 74.8 26.3 28.7 162 161 A I S S+ 0 0 84 -3,-0.5 -2,-0.1 1,-0.2 -73,-0.1 0.528 91.7 0.8-102.1 -10.1 78.5 25.2 28.8 163 162 A G S S- 0 0 17 -4,-0.2 -2,-0.4 -89,-0.1 -85,-0.2 -0.958 81.1 -93.1-167.3 170.8 80.1 28.4 27.7 164 163 A P S S+ 0 0 64 0, 0.0 2,-0.4 0, 0.0 -89,-0.1 0.639 101.6 54.8 -74.4 -15.0 79.2 32.0 26.9 165 164 A H + 0 0 158 -91,-0.1 2,-0.3 -90,-0.0 -3,-0.1 -0.956 56.8 172.0-126.7 140.2 79.0 31.5 23.1 166 165 A I - 0 0 24 -2,-0.4 -6,-0.1 -8,-0.1 -8,-0.0 -0.990 20.9-156.2-140.2 153.3 77.0 29.1 21.0 167 166 A G - 0 0 47 -2,-0.3 3,-0.1 -96,-0.0 -2,-0.0 -0.774 21.9-170.7-125.7 85.7 76.4 28.7 17.3 168 167 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 -58,-0.2 -0.312 30.1-106.3 -70.1 156.6 73.1 26.9 16.8 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17.5 6.0 179 178 A D < - 0 0 10 -3,-2.3 54,-2.6 -60,-0.1 2,-0.4 -0.409 51.7-146.3 -71.7 157.9 52.8 17.1 7.2 180 179 A R E -BD 118 232A 15 -62,-2.2 -62,-3.2 52,-0.2 2,-0.4 -0.985 7.0-154.0-120.4 135.6 53.6 16.2 10.8 181 180 A L E -BD 117 231A 0 50,-2.9 50,-2.7 -2,-0.4 2,-0.4 -0.887 8.2-167.2-106.5 144.9 56.6 17.5 12.6 182 181 A L E -BD 116 230A 0 -66,-2.4 -66,-3.0 -2,-0.4 2,-0.5 -0.994 7.4-169.4-130.2 125.6 58.2 15.6 15.4 183 182 A I E +BD 115 229A 0 46,-2.7 46,-2.4 -2,-0.4 2,-0.3 -0.955 22.5 171.8-106.0 132.3 60.8 16.9 17.8 184 183 A S E - D 0 228A 0 -70,-2.4 44,-0.2 -2,-0.5 2,-0.1 -0.989 34.3-121.9-137.9 150.6 62.4 14.2 20.0 185 184 A S > - 0 0 0 42,-2.3 3,-1.5 -2,-0.3 4,-0.3 -0.427 46.5 -99.7 -71.7 166.1 65.1 13.7 22.5 186 185 A D G > S+ 0 0 25 1,-0.3 3,-0.5 2,-0.2 4,-0.2 0.627 111.0 84.0 -65.0 -12.3 67.7 11.1 21.5 187 186 A G G > S+ 0 0 4 38,-0.4 3,-1.2 1,-0.2 4,-0.3 0.833 78.5 66.1 -62.2 -27.6 65.9 8.6 23.8 188 187 A L G <> S+ 0 0 1 -3,-1.5 4,-0.5 1,-0.3 3,-0.4 0.911 107.7 36.9 -62.1 -42.0 63.4 7.7 21.1 189 188 A F G <4 S+ 0 0 24 -3,-0.5 -1,-0.3 -4,-0.3 -2,-0.2 0.192 85.0 106.9 -97.3 17.3 66.0 6.1 18.8 190 189 A A T <4 S- 0 0 31 -3,-1.2 -1,-0.2 -4,-0.2 -2,-0.1 0.833 104.5 -26.5 -61.5 -35.7 68.1 4.5 21.6 191 190 A A T 4 S+ 0 0 48 -3,-0.4 -2,-0.1 -4,-0.3 -1,-0.1 0.537 96.4 112.5-151.8 -35.0 66.9 1.0 20.8 192 191 A A S < S- 0 0 6 -4,-0.5 2,-0.2 1,-0.2 25,-0.1 -0.131 73.3 -90.0 -68.9 158.8 63.5 0.4 19.3 193 192 A D > - 0 0 104 1,-0.1 4,-2.1 23,-0.1 3,-0.4 -0.447 32.1-134.7 -60.3 130.6 62.8 -0.9 15.9 194 193 A E H > S+ 0 0 93 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.865 103.0 56.6 -59.3 -38.8 62.6 1.9 13.4 195 194 A A H > S+ 0 0 68 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.892 107.8 47.6 -62.2 -38.0 59.4 0.5 11.8 196 195 A L H > S+ 0 0 78 -3,-0.4 4,-2.5 2,-0.2 -1,-0.2 0.897 109.2 53.5 -74.8 -31.0 57.6 0.6 15.1 197 196 A I H X S+ 0 0 0 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.944 111.8 46.2 -58.4 -47.6 58.8 4.1 15.8 198 197 A V H X S+ 0 0 26 -4,-2.6 4,-1.4 2,-0.2 -2,-0.2 0.904 109.1 54.6 -64.6 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8.9 20.7 209 208 A A H X S+ 0 0 0 -4,-2.6 4,-2.5 -6,-0.3 -2,-0.2 0.924 106.9 47.1 -53.5 -49.1 51.2 9.3 18.7 210 209 A V H X S+ 0 0 4 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.904 113.8 47.5 -66.4 -38.9 53.1 10.9 21.6 211 210 A R H X S+ 0 0 143 -4,-1.2 4,-2.2 1,-0.2 -1,-0.2 0.923 113.5 48.0 -66.3 -42.9 52.0 8.2 24.0 212 211 A R H X S+ 0 0 75 -4,-3.0 4,-2.7 2,-0.2 -2,-0.2 0.878 108.3 56.2 -65.5 -35.9 52.8 5.4 21.6 213 212 A L H X S+ 0 0 0 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.943 110.3 42.2 -61.0 -47.8 56.2 6.9 20.9 214 213 A V H X S+ 0 0 17 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.903 113.6 54.1 -73.0 -29.7 57.3 6.9 24.5 215 214 A E H X S+ 0 0 109 -4,-2.2 4,-3.1 2,-0.2 5,-0.2 0.914 106.9 51.6 -63.2 -42.4 55.8 3.4 25.0 216 215 A V H X S+ 0 0 12 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.931 112.8 45.0 -58.2 -46.8 57.8 2.1 22.0 217 216 A A H <>S+ 0 0 6 -4,-2.0 5,-2.2 1,-0.2 6,-0.3 0.903 115.5 47.4 -65.8 -39.2 61.0 3.6 23.6 218 217 A N H ><5S+ 0 0 56 -4,-2.5 3,-2.1 1,-0.2 -2,-0.2 0.940 109.4 52.2 -67.3 -46.9 60.1 2.2 27.0 219 218 A D H 3<5S+ 0 0 132 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.815 104.2 58.8 -59.5 -31.3 59.2 -1.2 25.8 220 219 A A T 3<5S- 0 0 45 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.459 139.6 -74.4 -77.4 -4.8 62.6 -1.4 24.0 221 220 A G T < 5 - 0 0 41 -3,-2.1 -3,-0.2 -4,-0.2 -2,-0.1 0.042 46.3-125.8 134.3 -23.6 64.4 -0.9 27.3 222 221 A G < + 0 0 4 -5,-2.2 -205,-0.9 -6,-0.2 -204,-0.5 0.849 46.1 162.7 57.9 39.3 63.9 2.8 28.2 223 222 A S + 0 0 58 -6,-0.3 2,-0.3 -36,-0.1 -1,-0.1 0.729 63.9 25.5 -65.0 -25.2 67.6 3.3 28.6 224 223 A D S S- 0 0 13 -37,-0.2 2,-0.2 -7,-0.1 -207,-0.1 -0.862 96.0 -86.5-127.7 164.6 67.2 7.1 28.3 225 224 A N - 0 0 1 -2,-0.3 2,-0.4 -205,-0.1 -38,-0.4 -0.517 43.8-154.2 -58.5 140.3 64.6 9.6 29.0 226 225 A T E +A 13 0A 1 -213,-2.3 -213,-2.5 -39,-0.2 2,-0.4 -0.997 16.6 175.0-126.3 130.1 62.3 10.1 25.9 227 226 A T E -A 12 0A 0 -2,-0.4 -42,-2.3 -215,-0.2 2,-0.4 -0.999 5.0-176.1-135.9 135.0 60.5 13.3 25.1 228 227 A V E -AD 11 184A 0 -217,-2.6 -217,-2.2 -2,-0.4 2,-0.4 -0.980 14.2-168.0-136.4 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