==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-FEB-98 1A6R . COMPND 2 MOLECULE: GAL6; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR L.JOSHUA-TOR,W.ZHENG,S.A.JOHNSTON . 459 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22718.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 325 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 2.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 60 13.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 30 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 49 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 156 34.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 1 2 3 2 0 1 1 1 1 0 0 0 1 0 0 0 1 1 0 1 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 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 0 PARALLEL BRIDGES PER LADDER . 5 2 1 1 3 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 . 1 0 0 0 0 0 0 0 0 0 0 1 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 -4 A A > 0 0 130 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0-102.0 16.9 35.6 4.5 2 -3 A F H > + 0 0 145 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.874 360.0 51.9 -57.5 -45.0 18.8 37.6 1.9 3 -2 A Q H > S+ 0 0 166 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.908 110.4 48.1 -61.2 -43.1 17.9 41.0 3.4 4 -1 A G H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.945 112.3 48.9 -62.8 -47.7 19.1 39.9 6.9 5 0 A A H < S+ 0 0 58 -4,-2.4 4,-0.4 2,-0.2 -1,-0.2 0.876 113.1 48.4 -57.9 -40.6 22.4 38.6 5.4 6 1 A M H >< S+ 0 0 117 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.959 113.0 46.9 -64.5 -50.1 22.8 41.9 3.5 7 2 A A H 3< S+ 0 0 73 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.778 112.5 50.2 -65.0 -29.4 22.1 44.0 6.6 8 3 A S T 3< S+ 0 0 107 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.487 93.8 98.2 -87.8 -4.3 24.5 41.9 8.7 9 4 A S S < S- 0 0 71 -3,-1.4 2,-0.6 -4,-0.4 -3,-0.1 -0.258 87.3 -98.8 -78.2 167.0 27.3 42.2 6.2 10 5 A I - 0 0 135 4,-0.0 2,-0.5 -2,-0.0 -1,-0.1 -0.818 40.9-154.2 -86.1 120.6 30.2 44.7 6.3 11 6 A D > - 0 0 80 -2,-0.6 4,-2.3 1,-0.1 5,-0.2 -0.895 9.4-148.0-101.0 130.8 29.2 47.5 4.0 12 7 A I H > S+ 0 0 121 -2,-0.5 4,-2.1 2,-0.2 5,-0.2 0.898 98.0 48.7 -65.4 -40.4 32.0 49.5 2.5 13 8 A S H > S+ 0 0 81 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.952 111.6 52.9 -64.9 -43.5 30.2 52.8 2.3 14 9 A K H > S+ 0 0 86 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.924 110.3 43.8 -57.7 -51.3 29.1 52.4 5.9 15 10 A I H X S+ 0 0 66 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.867 114.5 50.5 -66.4 -32.9 32.6 51.8 7.3 16 11 A N H X S+ 0 0 94 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.869 110.9 49.7 -72.9 -31.3 34.0 54.6 5.2 17 12 A S H X S+ 0 0 67 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.921 111.5 48.0 -71.8 -41.2 31.2 56.9 6.5 18 13 A W H X S+ 0 0 123 -4,-2.7 4,-2.8 -5,-0.2 5,-0.2 0.904 109.9 54.0 -64.0 -40.1 32.0 55.8 10.1 19 14 A N H X S+ 0 0 81 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.943 105.9 51.8 -58.7 -47.9 35.7 56.5 9.4 20 15 A K H X S+ 0 0 170 -4,-2.3 4,-0.6 1,-0.2 -1,-0.2 0.933 112.9 46.2 -54.2 -45.8 34.9 60.0 8.2 21 16 A E H >< S+ 0 0 122 -4,-2.1 3,-0.8 1,-0.2 4,-0.3 0.893 112.4 48.3 -67.2 -41.9 33.0 60.6 11.5 22 17 A F H >< S+ 0 0 95 -4,-2.8 3,-1.8 1,-0.2 7,-0.3 0.907 106.2 58.2 -65.7 -39.2 35.6 59.1 13.8 23 18 A Q H 3< S+ 0 0 72 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.629 95.6 64.2 -65.6 -15.0 38.4 61.1 12.2 24 19 A S T << S+ 0 0 93 -3,-0.8 2,-0.5 -4,-0.6 -1,-0.3 0.555 86.0 88.2 -83.6 -11.1 36.6 64.4 13.0 25 20 A D S <> S- 0 0 79 -3,-1.8 4,-2.5 -4,-0.3 5,-0.2 -0.802 71.3-149.4 -90.9 130.6 37.1 63.6 16.7 26 21 A L H > S+ 0 0 132 -2,-0.5 4,-2.3 2,-0.2 5,-0.2 0.829 97.9 53.6 -66.5 -39.4 40.3 64.9 18.1 27 22 A T H > S+ 0 0 85 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.927 112.0 47.3 -61.9 -41.0 40.6 62.1 20.7 28 23 A H H > S+ 0 0 63 -6,-0.2 4,-2.8 2,-0.2 5,-0.3 0.927 110.2 50.8 -64.9 -48.1 40.2 59.6 17.8 29 24 A Q H X S+ 0 0 76 -4,-2.5 4,-1.2 -7,-0.3 -1,-0.2 0.916 115.1 44.4 -55.8 -43.7 42.8 61.4 15.6 30 25 A L H X S+ 0 0 114 -4,-2.3 4,-2.3 2,-0.2 -2,-0.2 0.930 113.2 50.1 -67.5 -46.0 45.3 61.3 18.5 31 26 A A H X S+ 0 0 19 -4,-2.8 4,-2.9 1,-0.2 -2,-0.2 0.908 110.0 48.8 -60.6 -45.8 44.5 57.7 19.5 32 27 A T H X S+ 0 0 39 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.830 110.2 53.4 -67.3 -28.6 44.9 56.3 16.0 33 28 A T H >< S+ 0 0 79 -4,-1.2 3,-0.7 -5,-0.3 4,-0.3 0.976 115.9 38.1 -68.4 -50.3 48.3 58.2 15.6 34 29 A V H >X S+ 0 0 51 -4,-2.3 3,-1.8 1,-0.2 4,-1.7 0.903 112.3 56.2 -66.9 -43.9 49.7 56.8 18.8 35 30 A L H 3< S+ 0 0 62 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.574 100.9 57.7 -70.7 -11.3 48.3 53.2 18.5 36 31 A K T << S+ 0 0 149 -3,-0.7 -1,-0.3 -4,-0.6 -2,-0.2 0.569 112.8 43.7 -89.3 -9.4 49.8 52.7 15.1 37 32 A N T <4 S+ 0 0 106 -3,-1.8 2,-0.3 -4,-0.3 -2,-0.2 0.774 115.8 24.9-105.3 -39.2 53.2 53.4 16.8 38 33 A Y S < S- 0 0 152 -4,-1.7 -1,-0.2 2,-0.0 2,-0.0 -0.940 87.0 -87.8-129.7 161.5 53.3 51.5 20.1 39 34 A N >> - 0 0 102 -2,-0.3 4,-2.7 1,-0.1 3,-0.8 -0.357 46.0-117.2 -60.9 139.6 51.8 48.5 21.8 40 35 A A H 3> S+ 0 0 32 1,-0.3 4,-3.2 2,-0.2 5,-0.1 0.873 114.9 51.6 -51.7 -38.5 48.5 49.6 23.5 41 36 A D H 3> S+ 0 0 71 2,-0.2 4,-0.9 1,-0.2 -1,-0.3 0.841 111.6 46.3 -69.1 -33.1 49.9 48.7 26.9 42 37 A D H <4 S+ 0 0 117 -3,-0.8 3,-0.3 2,-0.2 -2,-0.2 0.928 117.4 43.4 -72.1 -46.4 53.0 50.7 26.4 43 38 A A H < S+ 0 0 34 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.925 119.4 42.4 -63.8 -47.3 51.1 53.7 25.0 44 39 A L H < S+ 0 0 21 -4,-3.2 305,-2.8 -5,-0.3 -1,-0.2 0.464 74.0 129.7 -85.5 -6.5 48.4 53.6 27.7 45 40 A L B < -A 348 0A 44 -4,-0.9 2,-0.9 -3,-0.3 303,-0.2 -0.318 54.5-139.2 -49.0 128.6 50.5 52.9 30.8 46 41 A N > - 0 0 39 301,-2.9 4,-2.8 1,-0.2 3,-0.4 -0.778 22.3-177.5-101.9 96.9 49.2 55.6 33.3 47 42 A K H > S+ 0 0 153 -2,-0.9 4,-2.5 1,-0.2 -1,-0.2 0.755 83.0 61.8 -65.7 -23.8 52.1 57.0 35.3 48 43 A T H > S+ 0 0 122 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.932 113.2 37.5 -64.9 -43.4 49.8 59.2 37.3 49 44 A R H >> S+ 0 0 66 -3,-0.4 4,-3.0 2,-0.2 3,-0.9 0.925 115.1 53.8 -71.3 -47.4 48.2 56.0 38.6 50 45 A L H 3X S+ 0 0 22 -4,-2.8 4,-2.8 297,-0.3 -2,-0.2 0.905 99.7 63.2 -55.7 -41.4 51.5 54.0 38.8 51 46 A Q H 3< S+ 0 0 162 -4,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.854 115.0 32.1 -53.8 -37.8 53.0 56.8 40.9 52 47 A K H << S+ 0 0 158 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.862 119.6 49.9 -87.8 -40.2 50.4 56.0 43.5 53 48 A Q H < S+ 0 0 41 -4,-3.0 2,-2.4 1,-0.2 -2,-0.2 0.772 86.6 83.5 -72.5 -28.2 49.9 52.2 43.0 54 49 A D < + 0 0 60 -4,-2.8 2,-0.5 -5,-0.2 -1,-0.2 -0.506 62.1 149.1 -78.8 79.0 53.6 51.2 43.1 55 50 A N - 0 0 56 -2,-2.4 -3,-0.0 1,-0.1 -4,-0.0 -0.958 28.1-179.1-121.2 114.6 53.7 51.1 46.8 56 51 A R + 0 0 56 -2,-0.5 2,-0.5 354,-0.1 -1,-0.1 -0.057 47.8 110.2-102.3 29.1 56.0 48.6 48.5 57 52 A V + 0 0 91 325,-0.0 2,-0.4 2,-0.0 -2,-0.1 -0.929 42.5 177.8-101.0 126.0 55.2 49.4 52.2 58 53 A F - 0 0 27 -2,-0.5 324,-0.2 1,-0.1 3,-0.1 -0.944 20.0-166.8-134.1 115.4 53.3 46.4 53.7 59 54 A N S S+ 0 0 75 -2,-0.4 2,-0.4 1,-0.2 323,-0.2 0.558 81.8 52.7 -78.7 -5.1 52.3 46.5 57.4 60 55 A T E S+B 381 0B 21 321,-2.2 321,-2.1 2,-0.0 2,-0.3 -0.837 74.0 146.8-134.6 94.0 51.4 42.8 57.6 61 56 A V E -B 380 0B 60 -2,-0.4 319,-0.2 319,-0.3 2,-0.2 -0.890 51.1-104.6-129.7 157.3 54.1 40.5 56.4 62 57 A V - 0 0 3 317,-2.1 259,-0.1 -2,-0.3 258,-0.1 -0.562 35.2-128.5 -74.6 142.9 55.6 37.0 57.1 63 58 A S S S+ 0 0 83 -2,-0.2 2,-0.4 2,-0.1 -1,-0.1 0.807 83.6 76.4 -65.8 -35.9 58.9 37.3 59.0 64 59 A T S S- 0 0 25 259,-0.1 2,-0.2 1,-0.0 -2,-0.1 -0.658 77.2-131.7 -84.5 135.0 61.0 35.1 56.8 65 60 A D - 0 0 102 -2,-0.4 2,-1.4 1,-0.1 -2,-0.1 -0.558 18.6-114.3 -86.0 152.4 62.3 36.4 53.5 66 61 A S - 0 0 20 -2,-0.2 -1,-0.1 33,-0.1 33,-0.0 -0.630 44.7-157.0 -85.1 84.5 62.1 34.6 50.2 67 62 A T + 0 0 51 -2,-1.4 33,-2.4 33,-0.1 2,-0.1 -0.950 65.2 14.4-125.8 126.0 65.8 34.0 49.5 68 63 A P S S- 0 0 33 0, 0.0 2,-0.2 0, 0.0 32,-0.1 0.663 88.7-122.1 -86.0 171.4 66.9 33.6 46.8 69 64 A V - 0 0 36 -2,-0.1 332,-0.3 1,-0.1 2,-0.2 -0.571 36.1-128.0 -68.6 143.6 64.1 34.6 44.4 70 65 A T - 0 0 2 327,-0.5 330,-2.5 -2,-0.2 2,-0.4 -0.539 16.2-154.4 -97.3 160.0 63.3 31.5 42.2 71 66 A N B -N 399 0C 58 328,-0.3 328,-0.2 -2,-0.2 327,-0.0 -0.908 13.7-174.7-140.8 113.6 63.1 31.2 38.5 72 67 A Q - 0 0 8 326,-2.7 5,-0.1 -2,-0.4 327,-0.1 0.658 29.9-169.0 -76.5 -18.4 61.1 28.6 36.7 73 68 A K - 0 0 120 325,-0.4 2,-1.9 1,-0.2 -1,-0.2 -0.243 60.1 -9.9 57.3-146.9 62.5 29.7 33.3 74 69 A S B S+o 177 0D 89 102,-2.0 104,-1.5 2,-0.1 105,-0.5 -0.467 112.6 91.9 -86.7 73.8 60.8 28.3 30.2 75 70 A S S S- 0 0 15 -2,-1.9 3,-0.2 102,-0.2 -3,-0.1 -0.924 78.7-120.7-150.5 159.9 58.6 25.7 31.9 76 71 A G S S+ 0 0 13 -2,-0.3 3,-0.4 1,-0.2 72,-0.1 -0.279 71.2 121.6-101.5 49.2 55.0 25.8 33.3 77 72 A R >> + 0 0 0 1,-0.2 4,-2.0 98,-0.1 3,-1.5 0.274 24.2 119.4 -95.9 12.3 56.1 24.9 36.8 78 73 A A H 3> S+ 0 0 0 381,-2.6 4,-3.3 1,-0.3 5,-0.3 0.841 73.7 55.6 -46.4 -43.8 54.7 28.0 38.7 79 74 A W H 3> S+ 0 0 1 379,-0.7 4,-2.1 -3,-0.4 -1,-0.3 0.874 109.4 47.4 -59.7 -35.8 52.4 25.9 40.8 80 75 A L H <> S+ 0 0 0 -3,-1.5 4,-2.0 2,-0.2 -1,-0.2 0.884 114.7 46.3 -72.2 -41.3 55.4 23.8 42.0 81 76 A F H X S+ 0 0 1 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.934 113.9 47.0 -66.8 -46.6 57.4 27.0 42.7 82 77 A A H X S+ 0 0 1 -4,-3.3 4,-1.7 2,-0.2 -2,-0.2 0.928 113.7 48.7 -62.3 -43.3 54.6 28.8 44.6 83 78 A A H X S+ 0 0 0 -4,-2.1 4,-1.4 -5,-0.3 -1,-0.2 0.922 118.3 39.2 -63.3 -45.1 53.8 25.6 46.7 84 79 A T H X S+ 0 0 0 -4,-2.0 4,-3.0 2,-0.2 -1,-0.2 0.793 109.5 60.9 -75.0 -29.6 57.5 25.1 47.6 85 80 A N H X S+ 0 0 1 -4,-2.6 4,-0.6 1,-0.2 -1,-0.2 0.889 105.0 51.1 -64.0 -33.9 58.1 28.8 48.0 86 81 A Q H < S+ 0 0 21 -4,-1.7 3,-0.4 -5,-0.2 239,-0.3 0.937 116.6 37.5 -66.7 -47.8 55.4 28.7 50.7 87 82 A L H >X S+ 0 0 3 -4,-1.4 3,-2.0 1,-0.2 4,-0.8 0.808 101.8 70.4 -75.2 -33.6 57.0 25.8 52.6 88 83 A R H 3X S+ 0 0 1 -4,-3.0 4,-3.0 1,-0.3 3,-0.2 0.747 87.0 69.3 -58.2 -23.5 60.7 26.7 52.2 89 84 A L H 3X S+ 0 0 10 -4,-0.6 4,-2.0 -3,-0.4 -1,-0.3 0.806 94.4 56.6 -63.5 -29.4 60.1 29.6 54.5 90 85 A N H <> S+ 0 0 52 -3,-2.0 4,-2.0 -4,-0.2 -1,-0.2 0.840 111.8 40.4 -70.4 -36.2 59.7 27.0 57.3 91 86 A V H X S+ 0 0 1 -4,-0.8 4,-3.2 -3,-0.2 5,-0.3 0.942 111.8 56.4 -76.4 -49.5 63.1 25.5 56.6 92 87 A L H <>S+ 0 0 6 -4,-3.0 5,-2.0 1,-0.2 4,-0.3 0.896 116.3 36.8 -47.1 -49.1 64.8 29.0 56.1 93 88 A S H ><5S+ 0 0 66 -4,-2.0 3,-0.9 3,-0.2 -1,-0.2 0.951 118.2 48.3 -73.1 -48.6 63.6 30.1 59.5 94 89 A E H 3<5S+ 0 0 97 -4,-2.0 -2,-0.2 1,-0.2 -3,-0.2 0.900 119.3 36.1 -61.3 -44.8 64.1 26.8 61.4 95 90 A L T 3<5S- 0 0 21 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.360 107.2-121.6 -92.5 8.7 67.6 26.0 60.2 96 91 A N T < 5 + 0 0 59 -3,-0.9 151,-2.8 -4,-0.3 2,-0.3 0.918 50.1 171.7 51.1 59.2 68.8 29.7 60.2 97 92 A L < - 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0 0 107 -2,-0.2 3,-1.5 1,-0.1 6,-0.4 -0.343 30.1-121.8 -62.7 149.4 34.9 8.2 19.5 131 126 A I T 3 S+ 0 0 77 1,-0.3 -1,-0.1 5,-0.1 -2,-0.0 0.821 113.0 45.8 -61.7 -35.9 38.3 9.5 18.6 132 127 A D T 3 S+ 0 0 120 4,-0.1 -1,-0.3 5,-0.1 -2,-0.1 0.215 85.5 123.5 -95.5 17.7 37.0 13.0 17.7 133 128 A S S <> S- 0 0 26 -3,-1.5 4,-2.1 1,-0.1 5,-0.3 -0.355 76.6-110.9 -69.4 159.8 34.8 13.2 20.8 134 129 A R H > S+ 0 0 165 1,-0.2 4,-1.8 2,-0.2 -1,-0.1 0.869 115.3 48.1 -61.1 -41.1 35.5 16.2 23.1 135 130 A L H > S+ 0 0 16 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.951 112.4 45.5 -66.1 -51.6 37.0 14.1 25.9 136 131 A V H > S+ 0 0 0 -6,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.893 115.3 47.2 -62.6 -39.0 39.3 12.0 23.8 137 132 A Q H X S+ 0 0 77 -4,-2.1 4,-0.8 1,-0.2 -1,-0.2 0.911 111.3 52.3 -68.5 -37.7 40.7 15.0 21.8 138 133 A Y H X S+ 0 0 85 -4,-1.8 4,-0.7 -5,-0.3 3,-0.3 0.833 108.3 50.8 -65.7 -34.8 41.1 16.9 25.1 139 134 A L H < S+ 0 0 16 -4,-1.9 3,-0.2 1,-0.2 -1,-0.2 0.911 111.9 48.2 -67.9 -39.9 43.1 13.9 26.5 140 135 A L H < S+ 0 0 20 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.558 95.7 77.9 -76.0 -11.7 45.3 13.9 23.4 141 136 A A H < S- 0 0 63 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.947 118.2 -13.0 -67.2 -54.9 45.9 17.7 23.6 142 137 A A >< + 0 0 39 -4,-0.7 3,-1.5 -3,-0.2 -1,-0.2 -0.338 68.4 160.8-149.5 61.3 48.5 18.1 26.3 143 138 A P T 3 S+ 0 0 16 0, 0.0 -24,-0.1 0, 0.0 -25,-0.1 0.805 83.7 34.8 -54.6 -34.5 48.9 14.9 28.4 144 139 A T T 3 S+ 0 0 1 38,-0.2 -28,-0.1 -28,-0.1 -29,-0.1 0.246 83.1 147.2-108.2 18.2 52.4 15.8 29.8 145 140 A E < - 0 0 60 -3,-1.5 -3,-0.1 1,-0.1 -30,-0.1 -0.089 51.8-127.5 -55.0 146.6 51.9 19.6 30.1 146 141 A D S S+ 0 0 10 311,-0.0 -1,-0.1 2,-0.0 312,-0.1 0.705 72.5 102.4 -68.0 -32.2 53.8 21.1 33.0 147 142 A G + 0 0 1 310,-0.1 2,-0.3 1,-0.1 312,-0.2 -0.084 39.7 141.1 -56.9 159.7 50.9 22.9 34.7 148 143 A G B -Q 458 0F 0 310,-1.9 310,-2.9 -72,-0.1 2,-0.3 -0.866 33.6-119.6-168.4-159.9 48.9 21.9 37.8 149 144 A Q > - 0 0 0 -2,-0.3 4,-1.4 308,-0.2 3,-0.5 -0.921 44.6 -78.3-154.6 177.9 47.2 22.9 41.0 150 145 A Y H > S+ 0 0 4 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.723 121.0 52.3 -60.0 -32.2 47.4 22.2 44.7 151 146 A S H > S+ 0 0 17 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.877 109.7 51.2 -71.7 -36.5 45.7 18.8 44.9 152 147 A M H > S+ 0 0 1 -3,-0.5 4,-1.4 1,-0.2 -2,-0.2 0.810 109.4 52.9 -68.3 -29.0 48.1 17.5 42.2 153 148 A F H X S+ 0 0 0 -4,-1.4 4,-2.2 2,-0.2 -2,-0.2 0.905 109.6 46.0 -72.2 -44.2 50.9 18.9 44.4 154 149 A L H X S+ 0 0 12 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.870 106.5 60.9 -68.1 -30.9 49.7 17.0 47.5 155 150 A N H X S+ 0 0 8 -4,-2.2 4,-1.3 1,-0.2 -1,-0.2 0.936 109.4 41.7 -59.6 -46.2 49.3 13.9 45.4 156 151 A L H X S+ 0 0 0 -4,-1.4 4,-3.4 1,-0.2 5,-0.4 0.903 114.5 50.5 -68.0 -44.5 53.1 14.0 44.6 157 152 A V H X S+ 0 0 3 -4,-2.2 4,-1.7 3,-0.2 -2,-0.2 0.853 106.5 55.3 -63.8 -34.0 54.1 14.9 48.1 158 153 A K H < S+ 0 0 96 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.920 120.9 30.5 -65.3 -38.9 52.1 12.1 49.7 159 154 A K H < S+ 0 0 99 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.821 136.7 21.6 -89.0 -33.0 53.9 9.6 47.5 160 155 A Y H < S- 0 0 22 -4,-3.4 -3,-0.2 1,-0.2 -2,-0.2 0.612 83.6-152.8-117.1 -11.8 57.3 11.2 47.1 161 156 A G < - 0 0 0 -4,-1.7 2,-0.3 -5,-0.4 98,-0.3 -0.356 30.2 -77.5 71.1-156.6 57.9 13.7 49.9 162 157 A L - 0 0 0 96,-2.5 100,-0.4 95,-0.2 99,-0.2 -0.983 38.8-170.6-145.8 150.7 60.2 16.7 49.5 163 158 A I - 0 0 1 -2,-0.3 -60,-3.3 -60,-0.2 -57,-0.1 -0.941 35.9 -84.6-140.7 163.8 64.0 17.2 49.4 164 159 A P B > -P 102 0E 0 0, 0.0 3,-2.1 0, 0.0 4,-0.5 -0.429 34.9-127.7 -67.2 136.3 66.6 20.1 49.4 165 160 A K G > S+ 0 0 54 -64,-2.8 3,-1.2 1,-0.3 -63,-0.1 0.769 104.0 79.0 -57.2 -24.1 67.2 21.4 46.0 166 161 A D G 3 S+ 0 0 123 -65,-0.4 -1,-0.3 1,-0.3 3,-0.2 0.808 94.5 46.7 -55.5 -29.0 70.9 20.9 46.8 167 162 A L G < S+ 0 0 52 -3,-2.1 -1,-0.3 1,-0.3 2,-0.2 0.645 131.7 7.7 -88.3 -15.6 70.4 17.2 46.1 168 163 A Y S < S+ 0 0 21 -3,-1.2 -62,-0.4 -4,-0.5 -1,-0.3 -0.732 79.8 155.3-168.3 108.1 68.6 17.6 42.8 169 164 A G - 0 0 18 -2,-0.2 -3,-0.1 -3,-0.2 -66,-0.0 -0.290 56.5 -63.6-122.3-152.5 68.1 20.9 41.0 170 165 A D S S+ 0 0 29 1,-0.2 6,-0.2 -2,-0.1 5,-0.2 0.077 81.2 121.2 -89.9 28.4 67.5 22.5 37.6 171 166 A L + 0 0 172 4,-0.1 -1,-0.2 3,-0.1 5,-0.1 0.937 50.7 88.0 -58.2 -46.9 70.7 21.4 36.1 172 167 A P S >> S- 0 0 33 0, 0.0 3,-2.0 0, 0.0 4,-0.8 -0.269 81.8-128.8 -60.1 141.1 69.0 19.5 33.2 173 168 A Y H >> S+ 0 0 167 1,-0.3 4,-0.7 2,-0.2 3,-0.7 0.825 105.8 59.7 -49.4 -44.5 68.2 21.5 30.1 174 169 A S H 34 S+ 0 0 5 54,-0.5 -1,-0.3 1,-0.2 8,-0.1 0.530 92.7 63.9 -67.9 -14.4 64.6 20.3 30.2 175 170 A T H <4 S+ 0 0 0 -3,-2.0 3,-0.3 -5,-0.2 -1,-0.2 0.839 116.4 30.1 -75.4 -32.1 63.8 21.7 33.6 176 171 A T H << S+ 0 0 35 -4,-0.8 -102,-2.0 -3,-0.7 -2,-0.2 0.410 134.4 30.7-105.1 -4.7 64.3 25.2 32.3 177 172 A A B < S+o 74 0D 21 -4,-0.7 3,-0.5 -5,-0.2 4,-0.4 -0.465 70.4 158.4-153.0 71.2 63.3 24.6 28.6 178 173 A S > + 0 0 5 -104,-1.5 4,-2.3 -3,-0.3 5,-0.2 0.593 46.0 91.9 -77.1 -12.2 60.6 21.8 28.8 179 174 A R H > S+ 0 0 168 -105,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.860 88.3 44.9 -53.0 -49.9 58.8 22.4 25.5 180 175 A K H > S+ 0 0 100 -3,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.893 112.4 50.8 -64.6 -41.2 60.9 20.0 23.4 181 176 A W H > S+ 0 0 0 -4,-0.4 4,-2.5 1,-0.2 5,-0.2 0.926 112.0 48.8 -59.9 -46.5 60.9 17.2 26.0 182 177 A N H X S+ 0 0 23 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.870 110.2 52.0 -61.5 -38.3 57.0 17.5 26.2 183 178 A S H X S+ 0 0 43 -4,-1.9 4,-2.4 -5,-0.2 5,-0.2 0.973 110.8 46.6 -63.8 -51.7 56.8 17.4 22.4 184 179 A L H X S+ 0 0 74 -4,-2.6 4,-1.4 1,-0.2 -2,-0.2 0.904 115.3 45.0 -57.3 -48.7 58.8 14.2 22.2 185 180 A L H X S+ 0 0 1 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.899 113.8 51.1 -63.5 -39.1 56.9 12.4 25.0 186 181 A T H X S+ 0 0 11 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.851 104.5 53.7 -70.6 -35.8 53.6 13.6 23.6 187 182 A T H X S+ 0 0 88 -4,-2.4 4,-1.1 2,-0.2 -1,-0.2 0.898 114.0 45.6 -63.6 -37.9 54.1 12.4 20.0 188 183 A K H X S+ 0 0 55 -4,-1.4 4,-2.5 -5,-0.2 3,-0.3 0.925 110.0 52.6 -71.0 -44.2 54.9 9.0 21.6 189 184 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.854 106.6 54.0 -61.0 -32.6 51.9 9.0 23.9 190 185 A R H X S+ 0 0 109 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.833 108.5 49.1 -71.9 -31.2 49.6 9.8 20.9 191 186 A E H X S+ 0 0 88 -4,-1.1 4,-1.9 -3,-0.3 3,-0.3 0.939 111.8 49.4 -68.8 -47.1 51.0 6.7 19.2 192 187 A F H X S+ 0 0 16 -4,-2.5 4,-3.0 1,-0.2 -2,-0.2 0.840 104.1 59.2 -59.9 -39.5 50.4 4.7 22.4 193 188 A A H X S+ 0 0 4 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.881 109.8 43.5 -57.1 -43.9 46.8 6.0 22.6 194 189 A E H X S+ 0 0 129 -4,-1.3 4,-2.6 -3,-0.3 5,-0.2 0.852 112.2 52.1 -70.8 -39.2 46.0 4.5 19.2 195 190 A T H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.943 114.2 44.2 -62.0 -44.0 47.8 1.3 20.0 196 191 A L H X S+ 0 0 0 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.922 114.2 48.1 -65.5 -48.3 45.8 0.9 23.2 197 192 A R H X S+ 0 0 18 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.895 112.0 49.9 -61.1 -42.6 42.5 1.9 21.6 198 193 A T H >X S+ 0 0 78 -4,-2.6 3,-0.9 1,-0.2 4,-0.8 0.930 113.2 46.2 -62.3 -47.1 43.0 -0.5 18.6 199 194 A A H 3X S+ 0 0 14 -4,-2.2 4,-2.6 1,-0.2 3,-0.4 0.843 108.7 56.7 -64.4 -32.8 43.9 -3.3 21.0 200 195 A L H 3< S+ 0 0 25 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.622 93.7 66.8 -76.0 -12.3 40.9 -2.5 23.2 201 196 A K H << S+ 0 0 138 -3,-0.9 -1,-0.2 -4,-0.7 -2,-0.2 0.891 113.4 33.0 -71.1 -37.3 38.5 -2.9 20.3 202 197 A E H < S+ 0 0 158 -4,-0.8 -2,-0.2 -3,-0.4 -3,-0.1 0.971 125.0 30.1 -80.8 -59.6 39.4 -6.5 20.4 203 198 A R S < S- 0 0 62 -4,-2.6 2,-0.2 1,-0.1 4,-0.1 -0.276 79.6-101.4-101.9 179.3 40.0 -7.2 24.1 204 199 A S - 0 0 71 2,-0.3 6,-0.3 -2,-0.1 -1,-0.1 -0.625 42.0-100.3 -96.6 159.0 38.9 -6.1 27.5 205 200 A A S S+ 0 0 52 -2,-0.2 2,-0.7 1,-0.1 -1,-0.1 0.859 117.7 49.7 -42.4 -56.4 40.8 -3.7 29.8 206 201 A D S S+ 0 0 125 4,-0.1 2,-0.3 5,-0.1 -2,-0.3 -0.876 75.2 121.1 -91.6 119.4 42.1 -6.6 31.9 207 202 A D S >> S- 0 0 51 -2,-0.7 4,-2.6 -4,-0.1 3,-1.1 -0.704 73.5-116.2-175.2 118.1 43.4 -9.2 29.5 208 203 A S H 3> S+ 0 0 90 -2,-0.3 4,-3.4 1,-0.3 5,-0.3 0.867 116.7 60.0 -30.9 -47.8 47.0 -10.1 29.8 209 204 A I H 3> S+ 0 0 90 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.903 110.5 38.5 -50.8 -51.7 47.5 -8.6 26.4 210 205 A I H <> S+ 0 0 0 -3,-1.1 4,-2.8 -6,-0.3 -1,-0.2 0.914 116.0 52.9 -67.0 -41.9 46.4 -5.2 27.5 211 206 A V H X S+ 0 0 72 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.915 113.3 43.2 -60.4 -39.3 48.1 -5.5 30.8 212 207 A T H X S+ 0 0 68 -4,-3.4 4,-2.3 -5,-0.3 5,-0.2 0.924 111.9 54.6 -70.8 -45.1 51.4 -6.4 29.2 213 208 A L H X S+ 0 0 28 -4,-2.4 4,-1.9 -5,-0.3 -2,-0.2 0.913 108.1 48.9 -55.5 -47.9 51.0 -3.7 26.6 214 209 A R H X S+ 0 0 53 -4,-2.8 4,-2.9 1,-0.2 -1,-0.2 0.912 108.8 51.9 -62.0 -45.8 50.5 -1.0 29.2 215 210 A E H X S+ 0 0 132 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.921 109.1 49.7 -60.1 -41.9 53.6 -2.1 31.2 216 211 A Q H X S+ 0 0 112 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.892 111.2 50.9 -62.2 -38.2 55.8 -1.9 28.2 217 212 A M H X S+ 0 0 7 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.938 109.7 49.6 -63.6 -43.6 54.3 1.5 27.5 218 213 A Q H X S+ 0 0 90 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.865 111.3 49.6 -62.8 -38.0 55.1 2.6 31.0 219 214 A R H X S+ 0 0 188 -4,-2.4 4,-2.7 2,-0.2 -1,-0.2 0.888 110.7 48.7 -68.8 -42.5 58.7 1.3 30.7 220 215 A E H X S+ 0 0 48 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.866 111.0 51.4 -65.9 -35.8 59.3 3.1 27.4 221 216 A I H X S+ 0 0 4 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.920 111.7 46.2 -67.3 -43.6 57.9 6.3 28.9 222 217 A F H X S+ 0 0 73 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.924 111.0 55.1 -65.0 -39.2 60.2 5.9 31.9 223 218 A R H < S+ 0 0 114 -4,-2.7 4,-0.4 1,-0.2 -2,-0.2 0.926 109.9 43.6 -58.4 -52.4 63.0 5.2 29.4 224 219 A L H >X S+ 0 0 30 -4,-2.6 3,-0.8 1,-0.2 4,-0.7 0.849 113.1 53.4 -64.1 -33.8 62.5 8.4 27.4 225 220 A M H >X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 3,-1.4 0.947 101.7 57.1 -66.0 -43.8 62.1 10.4 30.6 226 221 A S H 3< S+ 0 0 46 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.558 98.8 63.9 -62.8 -13.6 65.4 9.2 32.1 227 222 A L H <4 S+ 0 0 112 -3,-0.8 -1,-0.3 -4,-0.4 -2,-0.2 0.799 111.8 33.5 -78.1 -31.7 67.2 10.6 29.0 228 223 A F H << S+ 0 0 63 -3,-1.4 -54,-0.5 -4,-0.7 2,-0.3 0.695 133.2 13.0 -99.1 -22.0 66.2 14.1 29.8 229 224 A M S < S- 0 0 3 -4,-1.8 -1,-0.3 -55,-0.1 2,-0.2 -0.966 78.8-115.4-147.3 153.0 66.3 14.1 33.6 230 225 A D - 0 0 117 -2,-0.3 -3,-0.1 -3,-0.1 -121,-0.1 -0.622 35.8-105.3 -86.4 155.4 67.7 11.6 36.1 231 226 A I - 0 0 89 -2,-0.2 -1,-0.1 1,-0.1 -125,-0.0 -0.520 59.4 -85.1 -72.2 145.5 65.4 9.7 38.5 232 227 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 -64,-0.1 -0.206 37.7-115.7 -52.4 151.8 66.0 11.4 41.9 233 228 A P S S+ 0 0 81 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.651 94.1 39.3 -62.3 -27.2 69.0 10.0 43.9 234 229 A V S S- 0 0 10 4,-0.1 6,-0.1 6,-0.0 5,-0.0 -0.954 79.7-123.0-126.6 152.9 66.9 8.6 46.8 235 230 A Q > - 0 0 136 -2,-0.3 3,-1.9 4,-0.1 -75,-0.1 -0.426 42.9 -94.2 -85.4 165.2 63.6 6.8 47.0 236 231 A P T 3 S+ 0 0 22 0, 0.0 23,-2.2 0, 0.0 24,-0.4 0.786 125.9 32.5 -53.0 -33.4 60.8 8.3 49.1 237 232 A N T 3 S+ 0 0 129 21,-0.2 2,-0.4 20,-0.1 -77,-0.0 0.230 98.7 106.7-108.6 14.6 61.6 6.2 52.2 238 233 A E S < S- 0 0 83 -3,-1.9 2,-0.1 1,-0.1 21,-0.1 -0.755 71.7-116.1 -96.3 136.7 65.3 6.1 51.5 239 234 A Q - 0 0 113 -2,-0.4 2,-0.3 18,-0.2 18,-0.2 -0.393 30.6-179.1 -73.2 149.9 67.7 8.2 53.6 240 235 A F E -R 256 0G 13 16,-2.9 16,-2.2 -2,-0.1 2,-0.4 -0.891 20.6-134.9-137.4 157.5 69.9 11.0 52.3 241 236 A T E -R 255 0G 85 -2,-0.3 2,-0.5 14,-0.2 14,-0.2 -0.987 17.6-168.4-119.3 134.5 72.4 13.2 54.1 242 237 A W E -R 254 0G 6 12,-2.9 12,-2.5 -2,-0.4 2,-0.4 -0.994 2.0-164.1-126.6 118.5 72.4 16.9 53.4 243 238 A E E +R 253 0G 138 -2,-0.5 2,-0.3 10,-0.3 10,-0.2 -0.917 21.0 156.3-102.9 136.5 75.2 19.1 54.6 244 239 A Y E -R 252 0G 27 8,-2.5 8,-3.0 -2,-0.4 2,-0.4 -0.915 37.1-119.3-152.6 171.3 74.8 22.8 54.8 245 240 A V E -R 251 0G 74 -2,-0.3 -147,-0.3 6,-0.2 6,-0.2 -0.934 24.7-144.5-117.0 137.0 76.0 26.0 56.5 246 241 A D > - 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