==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-SEP-97 1AU4 . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR B.ZHAO,W.W.SMITH,C.A.JANSON,S.S.ABDEL-MEGUID . 215 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10436.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 142 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 37 17.2 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 . 1 0.5 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 . 21 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 20.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.4 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 0 1 0 1 0 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 5 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A 0 0 91 0, 0.0 2,-0.1 0, 0.0 122,-0.1 0.000 360.0 360.0 360.0 144.6 -47.6 -38.0 65.1 2 2 A P - 0 0 61 0, 0.0 3,-0.1 0, 0.0 124,-0.0 -0.291 360.0-127.2 -73.9 169.8 -49.7 -34.9 64.3 3 3 A D S S+ 0 0 124 1,-0.2 2,-0.3 -2,-0.1 0, 0.0 0.514 97.6 38.2 -94.0 -2.4 -50.3 -33.4 60.9 4 4 A S + 0 0 73 166,-0.1 2,-0.3 2,-0.0 166,-0.2 -0.999 59.4 167.9-152.8 141.1 -49.1 -30.1 62.5 5 5 A V E +A 169 0A 17 164,-2.8 164,-2.7 -2,-0.3 2,-0.3 -0.949 3.5 169.4-155.4 136.7 -46.5 -28.9 65.0 6 6 A D E > -A 168 0A 22 -2,-0.3 4,-0.9 162,-0.2 3,-0.4 -0.807 13.6-169.1-152.5 106.5 -45.2 -25.5 65.9 7 7 A Y T 4>S+ 0 0 11 160,-2.4 5,-2.6 -2,-0.3 6,-0.5 0.210 79.6 78.9 -81.4 12.4 -43.0 -25.1 68.9 8 8 A R T >45S+ 0 0 91 159,-0.2 3,-0.7 3,-0.2 5,-0.4 0.929 97.1 43.5 -80.3 -48.9 -43.3 -21.4 68.8 9 9 A K T 345S+ 0 0 174 -3,-0.4 -2,-0.2 1,-0.3 4,-0.0 0.966 110.8 52.4 -57.4 -62.0 -46.7 -21.5 70.4 10 10 A K T 3<5S- 0 0 134 -4,-0.9 -1,-0.3 1,-0.1 -2,-0.1 0.698 121.1-107.5 -50.1 -24.5 -45.8 -24.1 73.1 11 11 A G T < 5S+ 0 0 16 -3,-0.7 -3,-0.2 -4,-0.3 -2,-0.1 0.778 81.8 123.8 103.5 30.6 -42.9 -21.9 74.0 12 12 A Y < + 0 0 40 -5,-2.6 2,-0.5 155,-0.1 -4,-0.2 0.428 57.7 82.8 -98.9 -2.9 -39.8 -23.6 72.8 13 13 A V - 0 0 22 -6,-0.5 3,-0.1 -5,-0.4 -1,-0.1 -0.908 57.2-162.5-116.1 125.5 -38.6 -20.7 70.8 14 14 A T - 0 0 10 -2,-0.5 2,-0.1 1,-0.2 -2,-0.1 -0.019 45.0 -62.4 -83.0-175.7 -36.6 -17.6 71.8 15 15 A P - 0 0 83 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.414 57.1 -99.9 -71.3 157.5 -36.3 -14.3 69.8 16 16 A V - 0 0 23 175,-0.1 2,-0.2 -2,-0.1 167,-0.1 -0.328 41.8-158.8 -73.6 144.5 -34.6 -14.2 66.4 17 17 A K - 0 0 50 165,-0.5 168,-2.0 168,-0.1 2,-0.4 -0.612 14.8-125.4-117.6-174.5 -31.0 -13.0 66.3 18 18 A N B -I 184 0B 96 166,-0.2 166,-0.2 -2,-0.2 165,-0.0 -0.998 5.4-160.7-133.3 125.0 -28.6 -11.5 63.8 19 19 A Q - 0 0 19 164,-2.0 3,-0.3 -2,-0.4 5,-0.1 0.600 31.6-159.9 -80.1 -16.7 -25.2 -13.1 63.2 20 20 A G - 0 0 48 163,-0.3 2,-1.4 1,-0.2 -1,-0.2 -0.238 56.3 -19.2 69.0-156.4 -23.9 -9.9 61.7 21 21 A Q S S+ 0 0 203 2,-0.1 2,-0.3 3,-0.0 -1,-0.2 -0.161 113.8 96.1 -86.3 59.9 -20.7 -10.0 59.4 22 22 A a S S- 0 0 8 -2,-1.4 2,-1.7 -3,-0.3 3,-0.2 -0.982 78.3-125.6-144.8 139.4 -19.6 -13.4 60.7 23 23 A G + 0 0 27 40,-1.9 3,-0.3 -2,-0.3 42,-0.2 -0.358 68.3 123.7 -82.6 65.8 -20.0 -16.9 59.5 24 24 A S >> + 0 0 0 -2,-1.7 3,-1.8 1,-0.2 4,-1.7 0.081 22.4 117.6-114.0 23.4 -21.5 -18.1 62.8 25 25 A C H 3> S+ 0 0 18 1,-0.3 4,-1.0 2,-0.2 -1,-0.2 0.886 73.7 60.4 -59.0 -36.7 -24.8 -19.5 61.6 26 26 A W H 3> S+ 0 0 2 -3,-0.3 4,-1.2 1,-0.2 -1,-0.3 0.691 105.0 51.0 -62.6 -23.2 -23.6 -23.0 62.9 27 27 A A H <> S+ 0 0 0 -3,-1.8 4,-2.4 2,-0.2 5,-0.3 0.940 108.4 47.4 -76.9 -52.8 -23.5 -21.4 66.4 28 28 A F H X S+ 0 0 26 -4,-1.7 4,-0.7 1,-0.2 -2,-0.2 0.621 112.2 53.8 -62.6 -17.5 -27.0 -19.9 66.3 29 29 A S H X S+ 0 0 2 -4,-1.0 4,-1.9 -5,-0.2 -1,-0.2 0.897 110.0 45.3 -80.7 -45.9 -28.2 -23.3 65.1 30 30 A S H X S+ 0 0 0 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.796 112.4 50.9 -63.9 -37.7 -26.6 -25.1 67.9 31 31 A V H X S+ 0 0 5 -4,-2.4 4,-3.0 2,-0.2 17,-0.2 0.845 107.5 54.0 -69.7 -33.1 -27.9 -22.7 70.5 32 32 A G H X S+ 0 0 4 -4,-0.7 4,-2.4 -5,-0.3 -2,-0.2 0.948 109.2 46.8 -67.7 -48.1 -31.4 -22.9 69.2 33 33 A A H X S+ 0 0 0 -4,-1.9 4,-1.1 1,-0.2 -1,-0.2 0.888 114.1 48.5 -58.4 -46.0 -31.5 -26.7 69.5 34 34 A L H >X S+ 0 0 1 -4,-1.6 4,-1.5 2,-0.2 3,-0.6 0.927 109.2 52.7 -62.7 -47.2 -30.0 -26.4 73.0 35 35 A E H >X S+ 0 0 7 -4,-3.0 4,-1.6 1,-0.2 3,-1.0 0.963 105.8 54.8 -53.2 -51.0 -32.5 -23.8 74.1 36 36 A G H 3X S+ 0 0 0 -4,-2.4 4,-0.8 1,-0.3 -1,-0.2 0.742 106.9 49.4 -54.9 -30.8 -35.5 -25.9 73.0 37 37 A Q H + 0 0 0 33,-1.0 4,-1.0 1,-0.2 3,-0.4 -0.857 29.4 179.4-112.5 105.9 -24.6 -17.8 74.1 50 50 A P H > S+ 0 0 2 0, 0.0 4,-1.8 0, 0.0 -1,-0.2 0.826 86.3 62.1 -68.1 -24.6 -23.7 -18.4 70.5 51 51 A Q H > S+ 0 0 3 36,-0.4 4,-2.2 2,-0.2 5,-0.3 0.866 94.1 57.7 -69.5 -34.9 -20.4 -16.4 71.2 52 52 A N H > S+ 0 0 0 -3,-0.4 4,-2.8 35,-0.3 5,-0.4 0.966 110.5 47.2 -57.8 -47.7 -19.0 -18.9 73.8 53 53 A L H X S+ 0 0 0 -4,-1.0 4,-2.1 1,-0.2 -2,-0.2 0.893 108.2 54.7 -56.6 -47.4 -19.3 -21.5 71.0 54 54 A V H < S+ 0 0 3 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.937 117.7 33.8 -54.0 -54.1 -17.6 -19.3 68.4 55 55 A D H < S+ 0 0 18 -4,-2.2 41,-0.5 1,-0.2 -2,-0.2 0.835 125.6 36.1 -71.7 -43.9 -14.5 -18.7 70.6 56 56 A b H < S+ 0 0 14 -4,-2.8 2,-2.7 -5,-0.3 -3,-0.2 0.701 84.6 96.6 -91.6 -18.6 -14.1 -21.9 72.4 57 57 A V >< + 0 0 3 -4,-2.1 3,-2.7 -5,-0.4 5,-0.2 -0.360 50.7 179.5 -78.1 80.8 -15.1 -24.5 69.9 58 58 A S T 3 S+ 0 0 109 -2,-2.7 -1,-0.2 1,-0.3 -2,-0.0 0.636 73.6 64.6 -53.6 -21.4 -11.5 -25.3 68.7 59 59 A E T 3 S+ 0 0 90 -3,-0.1 -1,-0.3 11,-0.1 8,-0.1 0.691 102.0 60.0 -80.6 -16.2 -12.7 -27.9 66.2 60 60 A N S < S- 0 0 16 -3,-2.7 6,-0.2 6,-0.1 -6,-0.0 -0.218 83.6-122.9-101.8-172.8 -14.5 -25.1 64.3 61 61 A D > - 0 0 119 4,-1.3 3,-1.1 1,-0.3 2,-0.5 0.334 33.6-146.2-112.5 1.2 -13.4 -21.9 62.5 62 62 A G G > S+ 0 0 1 1,-0.3 3,-1.7 -5,-0.2 -1,-0.3 -0.511 84.7 13.0 71.0-119.8 -15.5 -19.4 64.3 63 63 A a G 3 S+ 0 0 42 -2,-0.5 -40,-1.9 1,-0.3 -1,-0.3 0.593 127.5 62.6 -72.7 5.6 -16.4 -16.6 61.9 64 64 A G G < S- 0 0 62 -3,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.566 115.3 -92.5-100.8 -14.3 -15.2 -18.8 59.1 65 65 A G < - 0 0 27 -3,-1.7 -4,-1.3 -42,-0.2 2,-0.3 -0.177 44.9-177.4 120.9 156.0 -17.7 -21.6 59.6 66 66 A G - 0 0 23 -6,-0.2 2,-0.2 -5,-0.1 -6,-0.1 -0.992 28.6 -83.6-174.2 176.5 -18.3 -24.9 61.4 67 67 A Y > - 0 0 141 -2,-0.3 4,-1.4 1,-0.1 -8,-0.1 -0.605 22.0-139.0 -99.0 146.3 -20.4 -27.9 62.2 68 68 A M H > S+ 0 0 10 -2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.872 103.4 63.8 -67.7 -33.8 -23.1 -28.1 64.8 69 69 A T H > S+ 0 0 26 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.912 101.8 49.4 -56.7 -38.8 -21.9 -31.6 65.7 70 70 A N H > S+ 0 0 35 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.948 109.6 52.8 -67.4 -39.4 -18.6 -30.0 66.9 71 71 A A H X S+ 0 0 1 -4,-1.4 4,-1.6 1,-0.2 -1,-0.2 0.783 110.6 45.5 -66.0 -32.7 -20.4 -27.4 68.9 72 72 A F H < S+ 0 0 0 -4,-1.9 4,-0.4 2,-0.2 37,-0.3 0.897 110.9 53.8 -75.6 -42.8 -22.5 -30.0 70.7 73 73 A Q H >X S+ 0 0 68 -4,-2.3 3,-2.1 -5,-0.2 4,-1.7 0.959 107.9 50.7 -55.1 -52.1 -19.5 -32.2 71.4 74 74 A Y H 3X S+ 0 0 18 -4,-2.8 4,-2.5 1,-0.3 5,-0.3 0.956 100.9 61.1 -52.5 -50.4 -17.7 -29.2 73.0 75 75 A V H 3<>S+ 0 0 0 -4,-1.6 32,-0.7 1,-0.2 5,-0.7 0.571 110.8 45.6 -51.6 -11.0 -20.7 -28.4 75.3 76 76 A Q H X45S+ 0 0 71 -3,-2.1 3,-1.3 -4,-0.4 -2,-0.2 0.860 113.0 39.6 -99.9 -61.8 -20.0 -31.9 76.7 77 77 A K H 3<5S+ 0 0 161 -4,-1.7 -2,-0.2 1,-0.3 -3,-0.1 0.862 120.9 46.7 -62.7 -34.2 -16.3 -32.4 77.3 78 78 A N T 3<5S- 0 0 60 -4,-2.5 -1,-0.3 -5,-0.3 -3,-0.1 0.472 109.5-135.2 -82.4 -0.1 -16.1 -28.8 78.6 79 79 A R T < 5 + 0 0 174 -3,-1.3 -3,-0.2 -5,-0.3 2,-0.2 0.868 64.3 28.8 50.6 41.8 -19.2 -29.7 80.6 80 80 A G < - 0 0 0 -5,-0.7 2,-0.3 -6,-0.3 26,-0.2 -0.576 52.0-141.9 150.9 151.9 -21.1 -26.5 79.9 81 81 A I B -K 105 0D 0 24,-1.8 23,-2.2 -2,-0.2 24,-1.1 -0.953 32.0-122.8-132.2 148.3 -22.3 -23.4 77.9 82 82 A D - 0 0 0 -2,-0.3 -33,-1.0 21,-0.2 2,-0.2 -0.062 22.5-100.0 -87.3-177.2 -23.1 -19.9 79.3 83 83 A S B >> -J 48 0C 17 -35,-0.2 4,-0.7 1,-0.1 3,-0.5 -0.596 42.4-107.5 -91.8 157.1 -26.1 -17.6 79.2 84 84 A E G >4 S+ 0 0 49 -37,-2.3 3,-2.7 1,-0.2 -1,-0.1 0.981 121.3 65.4 -49.5 -51.2 -25.9 -14.7 76.5 85 85 A D G 34 S+ 0 0 144 -38,-0.3 -1,-0.2 1,-0.3 -37,-0.1 0.789 101.3 44.3 -35.7 -50.7 -25.3 -12.5 79.6 86 86 A A G <4 S+ 0 0 39 -3,-0.5 -1,-0.3 1,-0.3 -2,-0.2 0.579 134.2 18.6 -78.0 -8.4 -22.0 -14.2 80.6 87 87 A Y S << S- 0 0 19 -3,-2.7 -36,-0.4 -4,-0.7 -35,-0.3 -0.349 83.9-165.4-159.6 61.0 -20.7 -14.1 77.0 88 88 A P - 0 0 71 0, 0.0 2,-0.4 0, 0.0 -39,-0.1 -0.079 33.1 -96.7 -51.3 156.2 -22.8 -11.6 74.9 89 89 A Y + 0 0 48 1,-0.1 -5,-0.0 2,-0.1 -2,-0.0 -0.666 44.5 166.2 -82.8 126.2 -22.5 -11.8 71.1 90 90 A V - 0 0 86 -2,-0.4 -1,-0.1 2,-0.3 3,-0.1 0.136 43.7-129.8-120.5 12.6 -20.0 -9.4 69.5 91 91 A G S S+ 0 0 24 1,-0.1 2,-0.4 -71,-0.1 -2,-0.1 0.668 79.8 100.1 44.5 23.7 -19.9 -11.0 66.0 92 92 A Q S S- 0 0 128 -70,-0.1 -2,-0.3 -30,-0.0 2,-0.2 -0.974 76.5-123.8-132.9 138.5 -16.1 -11.0 66.2 93 93 A E + 0 0 96 -2,-0.4 2,-0.3 -39,-0.1 -38,-0.0 -0.625 40.1 167.9 -84.0 149.4 -14.3 -14.1 67.1 94 94 A E - 0 0 100 -2,-0.2 3,-0.1 -43,-0.2 -2,-0.0 -0.974 41.0 -60.7-152.0 172.2 -12.0 -13.8 70.1 95 95 A S - 0 0 114 -2,-0.3 -39,-0.1 1,-0.1 -40,-0.1 -0.185 68.0 -92.8 -61.0 135.0 -9.9 -15.8 72.6 96 96 A b + 0 0 67 -41,-0.5 -1,-0.1 1,-0.1 -44,-0.1 -0.325 47.9 167.0 -56.9 126.2 -11.9 -18.2 74.7 97 97 A M + 0 0 148 -3,-0.1 -1,-0.1 -2,-0.1 -45,-0.1 -0.252 14.6 174.7-134.8 41.9 -13.1 -16.7 78.0 98 98 A Y - 0 0 42 -46,-0.1 -17,-0.1 1,-0.1 -11,-0.0 -0.038 18.7-144.6 -50.3 153.2 -15.7 -19.3 79.2 99 99 A N >> - 0 0 66 1,-0.2 3,-1.9 2,-0.0 4,-1.2 -0.849 13.6-159.5-135.3 103.7 -17.2 -18.8 82.7 100 100 A P G >4 S+ 0 0 86 0, 0.0 3,-0.6 0, 0.0 -1,-0.2 0.837 96.6 52.5 -37.8 -52.3 -18.3 -21.5 85.1 101 101 A T G 34 S+ 0 0 134 1,-0.3 -15,-0.0 -15,-0.0 -2,-0.0 0.726 102.8 60.9 -64.2 -20.2 -20.6 -19.3 87.1 102 102 A G G <4 S+ 0 0 12 -3,-1.9 -1,-0.3 -16,-0.1 -16,-0.1 0.899 74.0 134.2 -69.8 -48.3 -22.4 -18.3 83.9 103 103 A K << + 0 0 120 -4,-1.2 -21,-0.2 -3,-0.6 3,-0.1 0.376 17.6 161.0 -3.6 121.2 -23.4 -21.9 83.1 104 104 A A - 0 0 28 -23,-2.2 2,-0.3 1,-0.4 -22,-0.2 0.379 62.0 -1.1-133.3 -6.6 -27.1 -22.1 82.0 105 105 A A B -K 81 0D 12 -24,-1.1 -24,-1.8 -22,-0.0 -1,-0.4 -0.979 51.2-168.2-173.7 169.3 -27.2 -25.5 80.3 106 106 A K - 0 0 93 -2,-0.3 2,-0.3 -26,-0.2 -30,-0.1 -0.930 11.0-148.6-159.8 167.8 -25.3 -28.6 79.2 107 107 A C - 0 0 1 -32,-0.7 2,-0.7 -2,-0.3 108,-0.3 -0.988 11.9-140.1-146.7 148.4 -26.0 -31.5 77.0 108 108 A R - 0 0 160 106,-2.5 2,-0.1 -2,-0.3 -35,-0.1 -0.716 68.8 -47.3-114.0 77.1 -24.8 -35.1 77.2 109 109 A G - 0 0 11 -2,-0.7 105,-2.2 -37,-0.3 2,-0.3 -0.418 62.6-101.1 96.5-176.9 -24.1 -36.0 73.6 110 110 A Y E -B 213 0A 65 103,-0.3 2,-0.4 -2,-0.1 -41,-0.0 -0.984 12.4-142.4-150.7 150.9 -25.9 -35.7 70.2 111 111 A R E -B 212 0A 123 101,-2.2 101,-1.6 -2,-0.3 2,-0.4 -0.912 14.1-146.6-117.9 131.7 -27.9 -37.7 67.8 112 112 A E E -B 211 0A 100 -2,-0.4 99,-0.2 99,-0.2 3,-0.0 -0.863 17.6-129.2 -99.5 134.7 -27.7 -37.3 64.0 113 113 A I - 0 0 10 97,-2.3 97,-0.5 -2,-0.4 3,-0.2 -0.676 41.8 -82.4 -85.0 131.1 -30.8 -37.9 61.8 114 114 A P > - 0 0 61 0, 0.0 3,-2.5 0, 0.0 6,-0.2 -0.044 57.3-100.1 -36.5 115.2 -30.7 -40.3 58.8 115 115 A E T 3 S- 0 0 164 1,-0.3 93,-0.3 93,-0.1 94,-0.1 -0.054 100.0 -1.5 -45.1 112.7 -29.2 -38.4 55.9 116 116 A G T 3 S+ 0 0 31 91,-2.8 2,-0.8 -3,-0.2 -1,-0.3 0.437 93.2 129.3 85.7 1.4 -31.9 -37.3 53.5 117 117 A N <> + 0 0 52 -3,-2.5 4,-1.2 90,-0.6 -1,-0.2 -0.812 28.5 177.1 -96.9 104.9 -34.9 -38.7 55.4 118 118 A E H > S+ 0 0 17 -2,-0.8 4,-2.1 1,-0.2 -1,-0.1 0.623 82.3 62.7 -77.0 -12.5 -37.6 -36.1 55.9 119 119 A K H > S+ 0 0 129 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.832 105.9 44.5 -79.4 -32.2 -39.8 -38.8 57.5 120 120 A A H > S+ 0 0 8 2,-0.2 4,-2.7 -6,-0.2 -2,-0.2 0.828 113.3 52.4 -78.1 -32.0 -37.3 -39.2 60.2 121 121 A L H X S+ 0 0 0 -4,-1.2 4,-2.1 2,-0.2 5,-0.2 0.927 106.1 51.0 -71.4 -42.3 -37.0 -35.4 60.5 122 122 A K H X S+ 0 0 57 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.937 113.9 48.0 -60.2 -42.8 -40.7 -34.9 60.9 123 123 A R H >X S+ 0 0 129 -4,-1.4 4,-2.9 1,-0.2 3,-0.7 0.944 107.9 52.5 -63.7 -45.6 -40.6 -37.5 63.7 124 124 A A H 3X>S+ 0 0 12 -4,-2.7 4,-2.4 1,-0.3 5,-1.4 0.875 113.4 45.7 -58.0 -36.1 -37.6 -36.0 65.4 125 125 A V H 3<5S+ 0 0 0 -4,-2.1 -1,-0.3 3,-0.2 -2,-0.2 0.646 113.6 48.0 -79.0 -25.6 -39.4 -32.6 65.5 126 126 A A H <<5S+ 0 0 20 -4,-1.3 -2,-0.2 -3,-0.7 -3,-0.2 0.896 125.4 28.2 -82.4 -41.3 -42.7 -34.0 66.7 127 127 A R H <5S+ 0 0 203 -4,-2.9 -2,-0.2 -5,-0.2 -3,-0.2 0.854 136.3 22.0 -87.3 -39.8 -41.2 -36.1 69.5 128 128 A V T <5S- 0 0 36 -4,-2.4 -3,-0.2 -5,-0.4 -4,-0.1 0.840 96.8-136.9 -96.9 -45.2 -38.0 -34.2 70.5 129 129 A G < + 0 0 0 -5,-1.4 -1,-0.3 -89,-0.0 39,-0.1 -0.843 60.5 28.1 119.2-160.0 -38.6 -30.7 69.3 130 130 A P - 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