==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 16-NOV-06 2NX2 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YPSA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR U.A.RAMAGOPAL,J.ALVARADO,M.DICKEY,C.REYES,R.TORO,K.BAIN, . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9453.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 15.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 8 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 39.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 0 0 0 1 1 0 0 1 2 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 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 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 S 0 0 125 0, 0.0 2,-1.2 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 135.5 15.7 25.0 29.3 2 1 A L + 0 0 20 40,-0.4 3,-0.1 1,-0.2 40,-0.1 -0.678 360.0 142.4 -90.8 92.9 15.1 22.3 31.9 3 2 A K + 0 0 95 -2,-1.2 43,-2.9 1,-0.2 42,-2.6 0.791 66.2 45.3 -97.6 -36.6 18.1 22.5 34.3 4 3 A V E -a 46 0A 35 -3,-0.3 128,-3.3 41,-0.2 129,-0.9 -0.952 70.0-171.0-115.2 114.1 16.3 21.8 37.6 5 4 A L E -ab 47 133A 0 41,-2.9 43,-2.3 -2,-0.5 2,-0.3 -0.919 11.5-150.5-110.1 118.4 13.8 19.0 37.7 6 5 A A E -ab 48 134A 0 127,-2.9 129,-3.2 -2,-0.6 2,-0.4 -0.630 17.9-165.1 -77.0 140.8 11.5 18.4 40.7 7 6 A I E + b 0 135A 3 41,-2.2 43,-0.3 -2,-0.3 2,-0.3 -0.996 18.6 147.4-131.1 132.7 10.6 14.8 41.2 8 7 A T E + b 0 136A 3 127,-2.0 129,-1.8 -2,-0.4 2,-0.3 -0.884 5.7 139.3-144.9 178.0 7.8 13.3 43.4 9 8 A G E - b 0 137A 0 -2,-0.3 47,-0.3 127,-0.2 129,-0.2 -0.968 48.0 -14.1 167.3-169.4 5.4 10.4 43.4 10 9 A Y - 0 0 0 127,-1.4 45,-2.8 -2,-0.3 46,-0.2 -0.065 53.1-125.1 -55.0 145.5 3.7 7.6 45.5 11 10 A K >> - 0 0 68 43,-0.2 3,-0.9 44,-0.1 4,-0.8 -0.519 37.6-101.1 -77.5 156.3 4.8 6.5 48.9 12 11 A P H >>>S+ 0 0 13 0, 0.0 5,-2.1 0, 0.0 3,-1.1 0.861 120.1 56.5 -54.7 -41.6 5.5 2.8 49.3 13 12 A F H >45S+ 0 0 136 1,-0.3 3,-0.6 2,-0.2 5,-0.1 0.849 100.6 59.6 -59.3 -34.5 2.2 1.9 50.9 14 13 A E H <45S+ 0 0 27 -3,-0.9 -1,-0.3 1,-0.2 -4,-0.1 0.757 115.3 34.9 -64.1 -27.3 0.3 3.4 48.0 15 14 A L H <<5S- 0 0 41 -3,-1.1 -1,-0.2 -4,-0.8 -2,-0.2 0.435 108.9-120.0-102.8 -4.2 2.0 0.9 45.7 16 15 A G T <<5 + 0 0 48 -4,-0.8 2,-0.6 -3,-0.6 -3,-0.2 0.762 65.2 142.8 64.1 27.0 2.1 -2.1 48.1 17 16 A I < + 0 0 11 -5,-2.1 -1,-0.2 -6,-0.2 -2,-0.1 -0.880 11.9 154.7-104.5 115.3 5.9 -2.1 47.9 18 17 A F + 0 0 133 -2,-0.6 2,-0.3 1,-0.1 -1,-0.1 0.486 57.6 49.6-122.8 -6.1 7.7 -2.9 51.2 19 18 A K S S- 0 0 133 1,-0.0 3,-0.4 0, 0.0 6,-0.1 -0.967 72.5-129.5-130.7 150.8 11.0 -4.4 50.2 20 19 A Q S S+ 0 0 93 -2,-0.3 -1,-0.0 1,-0.2 -3,-0.0 0.388 92.8 94.9 -71.0 7.0 13.8 -3.2 47.8 21 20 A D + 0 0 118 4,-0.0 -1,-0.2 5,-0.0 -4,-0.0 0.709 68.4 149.0 -31.3 -68.6 13.4 -6.9 46.5 22 21 A D > - 0 0 34 -3,-0.4 4,-1.8 0, 0.0 -5,-0.0 0.164 60.7-166.1-168.5 124.3 11.4 -6.3 44.2 23 22 A K H >> S+ 0 0 142 1,-0.2 4,-1.2 2,-0.2 3,-0.8 0.899 103.7 35.7 -56.2 -65.0 9.8 -6.8 40.8 24 23 A A H 3> S+ 0 0 51 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.834 112.3 63.0 -60.1 -33.6 7.8 -3.6 40.1 25 24 A L H 3> S+ 0 0 6 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.855 99.0 54.8 -59.1 -37.5 10.5 -1.6 41.9 26 25 A Y H <>S+ 0 0 8 -4,-2.3 5,-2.0 1,-0.2 3,-1.2 0.859 107.7 57.8 -59.9 -39.8 16.4 15.0 30.3 40 39 A L H ><5S+ 0 0 21 -4,-3.1 3,-1.6 1,-0.3 -1,-0.2 0.890 103.3 51.7 -60.2 -41.6 20.2 14.8 30.7 41 40 A D T 3<5S+ 0 0 117 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.497 108.0 54.9 -76.9 -2.5 20.7 15.0 27.0 42 41 A E T < 5S- 0 0 124 -3,-1.2 -40,-0.4 -4,-0.3 -1,-0.3 0.096 134.4 -84.1-111.1 16.6 18.5 18.1 27.0 43 42 A G T < 5 + 0 0 36 -3,-1.6 -3,-0.2 1,-0.2 -2,-0.1 0.605 62.8 172.2 97.8 14.7 20.7 19.8 29.6 44 43 A L < + 0 0 8 -5,-2.0 -1,-0.2 -8,-0.2 -41,-0.2 -0.333 5.8 165.5 -52.1 128.7 19.5 18.6 33.0 45 44 A E + 0 0 82 -42,-2.6 29,-2.8 1,-0.3 2,-0.4 0.728 58.3 25.1-109.6 -43.6 21.8 19.7 35.9 46 45 A W E -ac 4 74A 70 -43,-2.9 -41,-2.9 27,-0.2 2,-0.4 -0.950 51.1-158.2-131.7 137.7 19.8 19.1 39.2 47 46 A I E -ac 5 75A 0 27,-2.2 29,-2.7 -2,-0.4 2,-0.4 -0.909 20.3-155.3-103.1 148.8 17.1 16.9 40.5 48 47 A L E +ac 6 76A 9 -43,-2.3 -41,-2.2 -2,-0.4 2,-0.3 -0.985 19.8 162.2-129.3 122.7 15.2 18.2 43.5 49 48 A I E - c 0 77A 0 27,-2.5 29,-2.6 -2,-0.4 -41,-0.1 -0.878 37.4-138.8-131.5 168.0 13.4 16.0 46.1 50 49 A S - 0 0 2 -43,-0.3 27,-0.1 -2,-0.3 -42,-0.1 0.432 54.8-103.4-105.8 -4.9 12.1 16.6 49.7 51 50 A G + 0 0 0 1,-0.2 3,-0.1 28,-0.1 49,-0.1 0.555 60.9 165.4 96.4 10.9 13.2 13.1 50.9 52 51 A Q > - 0 0 31 1,-0.1 5,-1.4 -41,-0.0 -1,-0.2 -0.299 43.6-102.1 -62.8 143.2 9.7 11.5 51.0 53 52 A L T 5S+ 0 0 22 3,-0.2 3,-0.4 4,-0.1 2,-0.4 -0.241 90.3 15.5 -61.0 152.1 9.6 7.7 51.3 54 53 A G T >5S+ 0 0 0 1,-0.2 4,-2.8 -43,-0.2 3,-0.4 -0.665 127.2 16.9 85.8-129.5 8.9 5.9 48.0 55 54 A V H >5S+ 0 0 1 -45,-2.8 4,-2.8 -2,-0.4 -1,-0.2 0.812 123.2 53.8 -53.6 -44.7 9.3 7.6 44.6 56 55 A E H >5S+ 0 0 0 -3,-0.4 4,-1.7 -47,-0.3 -1,-0.2 0.944 115.7 39.1 -56.8 -51.1 11.4 10.6 45.8 57 56 A L H >X S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 4,-1.1 0.889 107.0 54.9 -61.4 -42.3 20.1 9.4 39.7 64 63 A Y H 3< S+ 0 0 25 -4,-2.6 4,-0.3 1,-0.3 -1,-0.2 0.788 103.8 55.5 -61.0 -30.4 23.0 8.1 41.8 65 64 A D T 3< S+ 0 0 101 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.549 110.8 46.8 -76.8 -9.8 23.2 5.0 39.5 66 65 A L T X> S+ 0 0 15 -3,-1.4 4,-1.9 -4,-0.3 3,-1.0 0.592 85.0 87.5-103.6 -19.0 23.6 7.4 36.5 67 66 A Q T 3< S+ 0 0 37 -4,-1.1 6,-0.1 1,-0.2 -2,-0.1 0.756 78.1 66.7 -61.4 -26.1 26.2 9.8 37.8 68 67 A E T 34 S+ 0 0 160 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.924 115.1 28.8 -58.0 -43.0 29.1 7.6 36.6 69 68 A E T <4 S+ 0 0 116 -3,-1.0 -2,-0.2 1,-0.2 -1,-0.2 0.651 132.8 38.5 -90.2 -17.4 28.1 8.3 33.0 70 69 A Y >< + 0 0 63 -4,-1.9 3,-2.3 1,-0.1 -1,-0.2 -0.563 67.7 169.1-130.9 70.3 26.6 11.7 33.8 71 70 A P T 3 S+ 0 0 98 0, 0.0 -4,-0.1 0, 0.0 -1,-0.1 0.560 73.5 63.5 -67.1 -9.3 29.0 13.2 36.4 72 71 A D T 3 S+ 0 0 123 -3,-0.1 2,-0.4 -28,-0.1 -5,-0.1 0.505 75.8 107.7 -88.3 -5.1 27.4 16.7 36.1 73 72 A L < - 0 0 2 -3,-2.3 2,-0.3 -6,-0.1 -27,-0.2 -0.633 54.2-169.0 -74.7 121.5 24.0 15.3 37.4 74 73 A K E -c 46 0A 56 -29,-2.8 -27,-2.2 -2,-0.4 2,-0.5 -0.874 13.2-144.2-116.7 147.8 23.5 16.7 40.9 75 74 A V E -c 47 0A 0 -2,-0.3 30,-1.8 -29,-0.2 29,-1.8 -0.950 11.0-168.4-113.9 124.1 21.0 15.7 43.6 76 75 A A E -cd 48 105A 8 -29,-2.7 -27,-2.5 -2,-0.5 2,-0.6 -0.949 3.8-165.7-109.2 129.5 19.4 18.2 46.0 77 76 A V E +cd 49 106A 0 28,-2.8 30,-1.8 -2,-0.5 2,-0.6 -0.947 10.8 177.2-111.2 108.3 17.4 17.1 49.0 78 77 A I E - d 0 107A 17 -29,-2.6 30,-0.2 -2,-0.6 49,-0.1 -0.921 15.1-155.7-115.0 106.6 15.4 20.0 50.6 79 78 A T E - d 0 108A 9 28,-2.6 30,-3.0 -2,-0.6 31,-0.3 -0.454 19.7-132.9 -84.6 153.0 13.2 18.9 53.4 80 79 A P S S- 0 0 0 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.725 84.9 -23.0 -73.9 -22.6 10.1 20.7 54.7 81 80 A F S S- 0 0 10 28,-0.1 3,-0.4 30,-0.1 2,-0.1 -0.916 88.4 -60.2-169.2-177.6 11.2 20.5 58.3 82 81 A Y B S+f 113 0B 95 30,-2.8 32,-0.7 -2,-0.3 29,-0.0 -0.453 102.5 7.4 -83.8 150.5 13.5 18.4 60.6 83 82 A E > + 0 0 109 -2,-0.1 3,-1.6 30,-0.1 -1,-0.2 0.815 64.2 158.6 57.7 39.9 13.4 14.6 61.4 84 83 A Q T 3 S+ 0 0 26 -3,-0.4 3,-0.4 1,-0.3 -1,-0.1 0.753 74.6 54.0 -65.7 -21.6 10.7 13.7 58.9 85 84 A E T > S+ 0 0 40 1,-0.2 3,-1.8 2,-0.1 -1,-0.3 0.428 75.8 111.8 -88.7 2.2 12.0 10.1 59.0 86 85 A K T < S+ 0 0 89 -3,-1.6 -1,-0.2 1,-0.3 -2,-0.1 0.758 82.9 33.1 -55.7 -35.1 11.7 9.9 62.8 87 86 A N T 3 S+ 0 0 145 -3,-0.4 -1,-0.3 -4,-0.2 -2,-0.1 0.384 92.8 111.6-104.2 3.4 8.8 7.3 63.0 88 87 A W S < S- 0 0 59 -3,-1.8 5,-0.1 1,-0.1 -3,-0.0 -0.316 79.7 -87.9 -71.3 158.1 9.6 5.2 59.9 89 88 A K > - 0 0 101 1,-0.1 4,-2.5 4,-0.0 3,-0.3 -0.268 42.9-105.5 -61.5 154.5 10.8 1.6 60.2 90 89 A E H > S+ 0 0 121 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.874 119.4 51.7 -53.6 -47.5 14.6 1.1 60.5 91 90 A P H > S+ 0 0 71 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.899 112.0 48.3 -58.8 -38.1 15.2 -0.1 57.0 92 91 A N H > S+ 0 0 26 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.883 109.6 51.8 -66.3 -40.3 13.4 3.0 55.6 93 92 A K H X S+ 0 0 51 -4,-2.5 4,-3.0 2,-0.2 -1,-0.2 0.921 110.1 50.1 -57.0 -46.4 15.4 5.3 57.9 94 93 A E H X S+ 0 0 130 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.907 109.3 50.4 -60.8 -44.8 18.6 3.7 56.5 95 94 A Q H X S+ 0 0 23 -4,-2.0 4,-1.8 2,-0.2 -1,-0.2 0.920 113.4 46.5 -57.0 -47.0 17.3 4.2 52.9 96 95 A Y H X S+ 0 0 10 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.925 111.6 50.3 -60.7 -48.6 16.6 7.8 53.7 97 96 A E H X S+ 0 0 86 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.870 107.4 54.1 -60.3 -39.3 20.0 8.4 55.4 98 97 A A H X S+ 0 0 59 -4,-2.3 4,-0.9 2,-0.2 -1,-0.2 0.899 110.4 47.3 -62.6 -44.7 21.9 6.8 52.5 99 98 A V H >X S+ 0 0 2 -4,-1.8 4,-1.0 1,-0.2 3,-0.8 0.940 113.5 46.6 -61.6 -50.8 20.2 9.3 50.1 100 99 A L H 3< S+ 0 0 24 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.846 107.8 58.4 -61.9 -30.5 20.9 12.3 52.3 101 100 A A H 3< S+ 0 0 88 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.776 112.4 38.9 -68.8 -27.0 24.5 11.3 52.8 102 101 A Q H << S+ 0 0 103 -4,-0.9 -1,-0.2 -3,-0.8 -27,-0.2 0.524 86.7 120.2-104.4 -10.6 25.3 11.3 49.1 103 102 A A < - 0 0 16 -4,-1.0 -27,-0.2 -3,-0.3 3,-0.1 -0.245 61.0-139.9 -60.9 143.1 23.3 14.5 48.1 104 103 A D S S+ 0 0 86 -29,-1.8 2,-0.3 1,-0.3 -28,-0.2 0.839 91.3 12.7 -70.3 -33.0 25.2 17.3 46.5 105 104 A Y E +d 76 0A 122 -30,-1.8 -28,-2.8 2,-0.0 2,-0.3 -0.997 68.4 169.8-142.7 147.1 23.0 19.7 48.5 106 105 A E E +d 77 0A 87 -2,-0.3 2,-0.3 -30,-0.2 -28,-0.2 -0.970 10.4 144.5-155.3 142.7 20.6 19.2 51.4 107 106 A A E -d 78 0A 34 -30,-1.8 -28,-2.6 -2,-0.3 2,-0.4 -0.941 39.3-115.3-163.2 172.2 18.9 21.6 53.7 108 107 A S E -d 79 0A 14 -2,-0.3 -26,-0.1 -30,-0.2 -30,-0.1 -0.993 11.3-145.5-123.2 134.0 15.6 22.1 55.6 109 108 A L S S+ 0 0 64 -30,-3.0 2,-0.4 -2,-0.4 -28,-0.1 0.787 93.0 34.8 -69.8 -29.7 13.2 24.9 54.8 110 109 A T S S- 0 0 29 -31,-0.3 2,-0.8 2,-0.2 -1,-0.1 -0.989 76.8-138.9-123.6 141.6 12.3 25.2 58.5 111 110 A H S S+ 0 0 146 -2,-0.4 -30,-0.1 -30,-0.1 -2,-0.0 -0.243 78.9 70.4 -93.9 48.9 14.7 24.6 61.3 112 111 A R S S- 0 0 130 -2,-0.8 -30,-2.8 1,-0.0 -2,-0.2 -0.966 86.2 -94.8-152.8 158.9 12.2 22.7 63.5 113 112 A P B S-f 82 0B 51 0, 0.0 -30,-0.1 0, 0.0 -29,-0.1 -0.103 73.7 -48.3 -66.5 175.4 10.5 19.3 63.4 114 113 A Y + 0 0 108 -32,-0.7 -33,-0.1 1,-0.2 -31,-0.0 -0.255 66.4 156.7 -48.9 129.3 7.0 18.9 62.0 115 114 A E - 0 0 118 1,-0.4 -1,-0.2 -3,-0.1 -34,-0.0 0.644 56.2 -14.6-123.9 -51.1 4.7 21.6 63.3 116 115 A S >> - 0 0 33 1,-0.0 3,-1.9 0, 0.0 4,-0.5 -0.988 65.7 -95.9-155.9 162.1 1.7 22.1 60.9 117 116 A P H >> S+ 0 0 96 0, 0.0 4,-2.1 0, 0.0 3,-0.7 0.737 111.9 78.8 -51.1 -21.0 0.4 21.4 57.4 118 117 A L H 3> S+ 0 0 90 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.826 84.1 59.1 -60.5 -33.8 1.7 24.8 56.5 119 118 A Q H <> S+ 0 0 7 -3,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.869 107.7 45.7 -62.7 -40.5 5.3 23.5 56.3 120 119 A F H < S+ 0 0 0 -4,-2.3 3,-0.7 1,-0.2 -1,-0.2 0.926 116.4 47.8 -66.1 -44.1 7.5 24.6 42.0 129 128 A D H 3< S+ 0 0 83 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.854 116.9 41.4 -64.0 -39.0 8.9 28.1 42.2 130 129 A K H 3< S+ 0 0 129 -4,-2.5 2,-0.2 -5,-0.2 -1,-0.2 0.308 105.5 71.8 -99.8 6.1 12.5 27.1 42.2 131 130 A S S << S- 0 0 1 -3,-0.7 -126,-0.2 -4,-0.5 3,-0.1 -0.700 70.0-137.2-113.3 174.4 12.5 24.3 39.6 132 131 A D S S- 0 0 59 -128,-3.3 2,-0.3 1,-0.4 -127,-0.2 0.515 82.3 -10.2-106.5 -12.4 12.1 24.3 35.8 133 132 A G E -b 5 0A 0 -129,-0.9 -127,-2.9 29,-0.1 2,-0.4 -0.957 62.6-119.0-174.9 166.2 9.7 21.4 35.7 134 133 A L E -be 6 164A 0 29,-2.0 31,-3.3 -2,-0.3 2,-0.5 -0.981 13.2-165.1-122.0 128.0 8.1 18.5 37.6 135 134 A L E -be 7 165A 1 -129,-3.2 -127,-2.0 -2,-0.4 2,-0.4 -0.959 16.7-172.8-105.7 125.2 8.3 14.8 37.0 136 135 A L E -be 8 166A 0 29,-3.1 31,-2.6 -2,-0.5 2,-1.1 -0.972 29.7-150.6-120.4 133.0 5.7 12.6 38.8 137 136 A L E +be 9 167A 1 -129,-1.8 -127,-1.4 -2,-0.4 2,-0.3 -0.843 61.0 126.9 -85.8 99.9 5.3 8.9 39.1 138 137 A Y - 0 0 3 -2,-1.1 29,-0.1 29,-0.9 -2,-0.1 -0.986 53.3-142.1-161.2 146.0 1.5 9.3 39.5 139 138 A D > - 0 0 27 4,-0.4 4,-3.0 -2,-0.3 29,-0.1 -0.980 11.5-145.8-123.5 121.5 -1.7 7.9 38.0 140 139 A P T 4 S+ 0 0 79 0, 0.0 4,-0.1 0, 0.0 -1,-0.1 0.647 99.0 48.2 -64.3 -19.6 -4.7 10.3 37.4 141 140 A E T 4 S+ 0 0 176 2,-0.1 -2,-0.0 1,-0.1 0, 0.0 0.923 117.4 39.4 -80.5 -50.4 -7.3 7.5 38.1 142 141 A K T 4 S+ 0 0 101 1,-0.2 2,-0.1 2,-0.0 -1,-0.1 0.903 87.0 174.7 -61.2 -42.8 -5.7 6.2 41.3 143 142 A E < + 0 0 86 -4,-3.0 -4,-0.4 1,-0.1 2,-0.2 -0.486 12.1 144.1 60.7-136.9 -4.9 9.8 42.4 144 143 A G > - 0 0 36 1,-0.2 3,-1.9 -2,-0.1 4,-0.3 -0.656 60.7 -13.9 105.7-161.4 -3.4 9.7 46.0 145 144 A S T > S+ 0 0 40 1,-0.3 3,-0.8 -2,-0.2 4,-0.4 0.738 123.6 57.6 -56.9 -36.3 -0.7 11.7 47.8 146 145 A P T 3> S+ 0 0 3 0, 0.0 4,-2.3 0, 0.0 -1,-0.3 0.574 81.8 87.3 -72.5 -5.6 1.1 13.4 44.8 147 146 A K H <> S+ 0 0 95 -3,-1.9 4,-2.1 1,-0.2 -2,-0.1 0.851 84.1 57.4 -62.4 -31.4 -2.2 15.2 43.7 148 147 A Y H <> S+ 0 0 119 -3,-0.8 4,-1.5 -4,-0.3 -1,-0.2 0.953 109.6 41.4 -62.2 -54.7 -1.5 18.1 46.0 149 148 A M H > S+ 0 0 6 -4,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.883 112.0 57.2 -63.6 -39.5 1.9 18.9 44.6 150 149 A L H X S+ 0 0 14 -4,-2.3 4,-3.2 1,-0.2 -1,-0.2 0.884 103.6 54.5 -52.0 -44.8 0.5 18.4 41.0 151 150 A G H X S+ 0 0 29 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.898 107.9 47.5 -57.8 -45.2 -2.1 21.0 41.7 152 151 A T H X S+ 0 0 17 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.874 112.8 50.1 -65.3 -39.2 0.5 23.6 42.7 153 152 A A H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 3,-0.3 0.943 108.7 51.8 -61.2 -48.5 2.5 22.6 39.6 154 153 A E H X S+ 0 0 59 -4,-3.2 4,-2.9 1,-0.2 -2,-0.2 0.846 104.7 57.2 -59.6 -37.0 -0.7 23.1 37.4 155 154 A K H X S+ 0 0 139 -4,-2.0 4,-0.6 2,-0.2 -1,-0.2 0.880 111.1 43.0 -59.6 -40.3 -1.2 26.5 38.9 156 155 A R H >X S+ 0 0 64 -4,-1.5 4,-2.8 -3,-0.3 3,-0.7 0.885 110.9 54.8 -69.7 -41.1 2.2 27.5 37.7 157 156 A R H 3X S+ 0 0 111 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.954 103.3 56.8 -56.3 -50.6 1.6 25.8 34.3 158 157 A E H 3< S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.758 115.5 38.5 -44.2 -34.8 -1.5 27.9 33.9 159 158 A Q H << S+ 0 0 166 -3,-0.7 -2,-0.2 -4,-0.6 -1,-0.2 0.896 138.3 1.7 -92.4 -48.1 0.6 31.0 34.3 160 159 A D H < S- 0 0 92 -4,-2.8 -3,-0.2 2,-0.0 -2,-0.2 0.367 96.3-101.0-129.3 6.8 3.9 30.4 32.5 161 160 A G < - 0 0 50 -4,-2.6 -4,-0.2 -5,-0.5 -3,-0.1 0.579 47.1-175.3 82.2 9.2 3.8 26.9 30.9 162 161 A Y - 0 0 4 -6,-0.6 2,-0.2 1,-0.1 -1,-0.2 -0.138 30.4-118.9 -31.9 112.9 5.8 25.2 33.6 163 162 A P - 0 0 42 0, 0.0 -29,-2.0 0, 0.0 2,-0.4 -0.481 26.9-162.6 -76.8 136.9 6.2 21.6 32.1 164 163 A I E -e 134 0A 29 -2,-0.2 2,-0.4 -31,-0.2 -29,-0.2 -0.964 4.6-166.7-117.4 130.7 4.8 18.6 33.9 165 164 A Y E -e 135 0A 66 -31,-3.3 -29,-3.1 -2,-0.4 2,-0.4 -0.934 5.3-158.2-119.2 142.1 5.9 15.1 33.1 166 165 A F E -e 136 0A 59 -2,-0.4 2,-0.5 -31,-0.2 -29,-0.2 -0.913 22.1-161.3-121.8 146.3 4.2 11.8 34.2 167 166 A I E -e 137 0A 3 -31,-2.6 -29,-0.9 -2,-0.4 2,-0.1 -0.936 35.4-176.8-114.1 97.5 5.1 8.2 34.6 168 167 A T > - 0 0 29 -2,-0.5 4,-1.8 -31,-0.2 -29,-0.2 -0.253 43.9 -97.6 -86.3 177.3 1.6 6.6 34.7 169 168 A M H > S+ 0 0 64 1,-0.2 4,-1.5 2,-0.2 5,-0.1 0.879 128.0 54.6 -65.4 -33.9 0.6 3.0 35.2 170 169 A D H > S+ 0 0 85 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.915 105.0 53.4 -61.9 -42.9 0.3 2.7 31.4 171 170 A D H > S+ 0 0 60 1,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.875 105.9 53.0 -58.9 -40.7 4.0 4.0 31.2 172 171 A L H X S+ 0 0 26 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.839 106.0 54.1 -65.2 -35.6 5.1 1.2 33.6 173 172 A R H X S+ 0 0 125 -4,-1.5 4,-1.8 2,-0.2 3,-0.2 0.939 108.7 47.9 -59.1 -49.0 3.4 -1.4 31.4 174 173 A V H X S+ 0 0 40 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.845 108.5 55.5 -62.4 -35.7 5.4 -0.1 28.3 175 174 A T H < S+ 0 0 19 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.876 107.2 51.3 -62.5 -37.8 8.6 -0.2 30.4 176 175 A V H < S+ 0 0 74 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.910 110.7 44.8 -67.9 -45.0 7.9 -3.9 31.2 177 176 A E H < 0 0 130 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.799 360.0 360.0 -75.1 -28.5 7.4 -5.1 27.6 178 177 A E < 0 0 176 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.522 360.0 360.0 -89.1 360.0 10.4 -3.1 26.3