==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-JAN-03 1NL6 . COMPND 2 MOLECULE: CATHEPSIN K; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.W.SMITH,C.A.JANSON,B.ZHAO . 430 2 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20044.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 263 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 16.3 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 . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 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 . 35 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 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 4 0 0 2 0 0 2 2 0 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 9 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 0 145 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 111.0 -31.9 -21.5 2.5 2 2 A P - 0 0 115 0, 0.0 2,-2.3 0, 0.0 0, 0.0 -0.239 360.0-111.2 -50.9 125.1 -28.3 -21.5 4.1 3 3 A D S S+ 0 0 107 2,-0.0 2,-0.3 167,-0.0 0, 0.0 -0.355 89.2 84.6 -66.8 79.0 -28.5 -22.3 7.8 4 4 A S - 0 0 56 -2,-2.3 2,-0.3 166,-0.1 166,-0.2 -0.899 57.1-166.3-166.3 153.3 -27.6 -18.9 9.1 5 5 A V E -A 169 0A 36 164,-1.6 164,-1.6 -2,-0.3 2,-0.5 -0.979 17.0-159.5-156.9 142.8 -29.8 -15.9 9.7 6 6 A D E >> -A 168 0A 23 -2,-0.3 3,-2.8 162,-0.2 4,-0.9 -0.848 5.7-163.2-125.9 94.3 -29.5 -12.2 10.3 7 7 A Y H 3>>S+ 0 0 16 160,-1.6 5,-1.7 -2,-0.5 4,-1.0 0.615 85.2 77.3 -51.1 -12.0 -32.6 -10.7 11.9 8 8 A R H 345S+ 0 0 92 159,-0.4 3,-0.4 1,-0.2 -1,-0.3 0.900 96.8 45.9 -66.5 -36.0 -31.2 -7.3 10.8 9 9 A K H <45S+ 0 0 182 -3,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.911 106.5 57.9 -70.8 -40.5 -32.4 -8.1 7.3 10 10 A K H <5S- 0 0 110 -4,-0.9 -1,-0.2 1,-0.1 -2,-0.2 0.698 116.9-114.5 -62.8 -18.7 -35.8 -9.4 8.6 11 11 A G T <5S+ 0 0 21 -4,-1.0 -3,-0.2 -3,-0.4 -2,-0.1 0.499 80.2 124.5 96.9 4.5 -36.3 -6.0 10.1 12 12 A Y < + 0 0 31 -5,-1.7 2,-0.4 155,-0.1 -4,-0.2 0.441 56.0 71.0 -77.7 -2.2 -36.3 -7.1 13.8 13 13 A V - 0 0 20 -6,-0.4 3,-0.1 -5,-0.2 32,-0.0 -0.953 64.5-147.5-126.0 139.4 -33.5 -4.8 15.1 14 14 A T - 0 0 5 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.412 46.2 -64.8 -91.6 168.9 -33.4 -1.1 15.7 15 15 A P - 0 0 81 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 0.014 62.8 -92.4 -48.3 162.4 -30.3 1.1 15.3 16 16 A V - 0 0 14 175,-0.2 2,-0.2 -3,-0.1 170,-0.2 -0.626 45.4-152.7 -79.5 139.7 -27.3 0.6 17.6 17 17 A K - 0 0 46 165,-0.3 168,-1.6 -2,-0.3 2,-0.5 -0.680 8.6-134.3-112.2 165.2 -27.4 2.7 20.7 18 18 A N B -I 184 0B 92 166,-0.2 166,-0.2 -2,-0.2 165,-0.0 -0.971 2.7-157.3-123.4 118.6 -24.7 4.0 23.0 19 19 A Q - 0 0 12 164,-2.4 5,-0.2 -2,-0.5 165,-0.1 0.566 28.4-160.7 -72.7 -5.4 -25.1 3.7 26.8 20 20 A G - 0 0 36 1,-0.2 2,-1.9 3,-0.1 -1,-0.2 -0.259 62.9 -9.7 61.2-146.6 -22.8 6.6 27.5 21 21 A Q S S+ 0 0 192 70,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.301 114.6 98.1 -79.9 56.1 -21.3 6.9 31.0 22 22 A a S S- 0 0 11 -2,-1.9 2,-0.9 70,-0.1 42,-0.1 -1.000 72.6-134.2-148.2 143.6 -23.5 4.1 32.4 23 23 A G + 0 0 30 40,-0.8 3,-0.4 -2,-0.3 43,-0.2 -0.235 64.6 125.8 -89.7 48.7 -23.4 0.4 33.2 24 24 A S > + 0 0 0 -2,-0.9 4,-1.2 1,-0.2 -1,-0.2 -0.223 18.1 122.3 -99.1 40.5 -26.8 -0.2 31.5 25 25 A C H > S+ 0 0 15 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.748 75.0 58.3 -73.3 -21.3 -25.8 -2.9 29.1 26 26 A W H > S+ 0 0 0 -3,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.882 102.4 53.4 -73.6 -37.2 -28.4 -5.1 30.7 27 27 A A H > S+ 0 0 0 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.813 112.5 42.6 -66.9 -33.0 -31.1 -2.5 29.9 28 28 A F H X S+ 0 0 25 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.825 110.3 55.5 -83.2 -32.5 -30.2 -2.4 26.2 29 29 A S H X S+ 0 0 4 -4,-1.6 4,-0.8 2,-0.2 -2,-0.2 0.941 113.4 43.5 -62.8 -44.8 -29.8 -6.2 25.9 30 30 A S H >X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 3,-1.5 0.972 111.9 51.3 -62.9 -58.2 -33.3 -6.5 27.3 31 31 A V H >X S+ 0 0 4 -4,-1.9 4,-4.1 1,-0.3 3,-0.6 0.922 108.8 50.7 -46.0 -55.8 -34.9 -3.8 25.2 32 32 A G H 3X S+ 0 0 4 -4,-2.4 4,-0.9 1,-0.3 -1,-0.3 0.709 108.1 53.5 -59.3 -20.8 -33.6 -5.2 22.0 33 33 A A H + 0 0 0 33,-2.1 4,-0.9 -2,-0.2 3,-0.2 -0.604 32.8 176.3 -80.2 107.7 -37.0 2.8 26.6 50 50 A P H > S+ 0 0 3 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.731 85.5 65.0 -78.0 -20.5 -33.9 1.4 28.4 51 51 A Q H > S+ 0 0 1 36,-0.5 4,-2.9 1,-0.2 5,-0.2 0.863 95.4 61.2 -66.4 -31.3 -34.0 4.4 30.7 52 52 A N H > S+ 0 0 0 35,-0.4 4,-1.5 -3,-0.2 5,-0.2 0.936 108.3 40.4 -56.6 -52.0 -37.3 2.9 31.8 53 53 A L H X S+ 0 0 0 -4,-0.9 4,-1.9 2,-0.2 9,-0.2 0.864 113.5 53.9 -69.2 -35.8 -35.5 -0.2 33.0 54 54 A V H < S+ 0 0 6 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.936 116.2 38.4 -64.8 -43.3 -32.6 1.7 34.5 55 55 A D H < S+ 0 0 18 -4,-2.9 41,-0.3 -5,-0.1 -1,-0.2 0.695 128.7 27.4 -79.8 -22.4 -35.0 3.9 36.6 56 56 A b H < S+ 0 0 16 -4,-1.5 2,-1.6 -5,-0.2 -3,-0.2 0.619 86.6 93.6-120.3 -17.7 -37.6 1.4 37.6 57 57 A V >< + 0 0 4 -4,-1.9 3,-1.3 -5,-0.2 5,-0.5 -0.656 45.6 176.9 -81.9 93.5 -36.2 -2.1 37.7 58 58 A S T 3 S+ 0 0 107 -2,-1.6 -1,-0.2 1,-0.3 -4,-0.0 0.534 72.0 73.5 -75.2 -6.0 -35.3 -2.1 41.4 59 59 A E T 3 S+ 0 0 66 11,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.672 102.1 53.3 -77.9 -14.0 -34.2 -5.8 41.1 60 60 A N S < S- 0 0 22 -3,-1.3 6,-0.2 -7,-0.2 3,-0.1 -0.401 91.2-114.4-108.2-174.3 -31.2 -4.3 39.3 61 61 A D > - 0 0 101 4,-2.7 3,-2.5 1,-0.4 5,-0.1 -0.015 37.5-127.9-119.2 34.4 -28.7 -1.5 40.2 62 62 A G G > S- 0 0 3 -5,-0.5 3,-1.4 1,-0.3 -1,-0.4 -0.412 88.5 -8.6 61.7-129.8 -29.3 1.2 37.7 63 63 A a G 3 S+ 0 0 26 1,-0.3 -40,-0.8 -2,-0.1 -1,-0.3 0.654 126.2 78.2 -75.3 -13.2 -26.1 2.2 36.1 64 64 A G G < S- 0 0 52 -3,-2.5 -1,-0.3 1,-0.2 -2,-0.2 0.554 110.8-107.0 -69.9 -5.6 -24.4 -0.1 38.6 65 65 A G < - 0 0 19 -3,-1.4 -4,-2.7 -4,-0.1 2,-0.3 -0.292 43.4-173.6 105.4 170.1 -25.5 -2.9 36.4 66 66 A G - 0 0 25 -6,-0.2 2,-0.2 -43,-0.2 -6,-0.1 -0.989 25.2 -83.9 178.2-178.9 -28.1 -5.7 36.3 67 67 A Y - 0 0 139 -2,-0.3 4,-0.3 -8,-0.1 -8,-0.1 -0.720 26.1-128.6-109.1 160.4 -29.6 -8.8 34.7 68 68 A M S >> S+ 0 0 8 -2,-0.2 4,-2.6 2,-0.2 3,-0.6 0.856 101.2 57.7 -76.0 -40.8 -32.1 -9.2 31.9 69 69 A T H 3> S+ 0 0 32 1,-0.3 4,-3.0 2,-0.2 3,-0.5 0.992 103.8 52.5 -54.3 -63.9 -34.6 -11.6 33.5 70 70 A N H 3> S+ 0 0 54 1,-0.3 4,-0.9 2,-0.2 -1,-0.3 0.743 112.0 51.5 -43.6 -22.5 -35.3 -9.2 36.4 71 71 A A H <> S+ 0 0 0 -3,-0.6 4,-1.8 -4,-0.3 -1,-0.3 0.917 109.4 44.6 -82.1 -47.9 -35.9 -6.7 33.6 72 72 A F H X S+ 0 0 0 -4,-2.6 4,-1.8 -3,-0.5 37,-0.3 0.894 112.4 54.7 -61.1 -39.8 -38.4 -8.9 31.6 73 73 A Q H X S+ 0 0 71 -4,-3.0 4,-2.1 1,-0.2 -1,-0.2 0.856 104.9 53.7 -63.2 -37.0 -40.1 -9.7 34.9 74 74 A Y H X S+ 0 0 16 -4,-0.9 4,-1.1 -5,-0.4 -1,-0.2 0.915 106.3 51.2 -65.2 -43.1 -40.5 -6.0 35.7 75 75 A V H X>S+ 0 0 0 -4,-1.8 5,-2.2 2,-0.2 4,-0.6 0.906 109.9 53.6 -60.0 -39.5 -42.2 -5.4 32.4 76 76 A Q H ><5S+ 0 0 62 -4,-1.8 3,-2.4 1,-0.2 -2,-0.2 0.994 113.0 37.0 -59.2 -70.3 -44.6 -8.2 33.2 77 77 A K H 3<5S+ 0 0 134 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.603 116.1 57.4 -61.8 -7.4 -45.8 -7.1 36.6 78 78 A N H 3<5S- 0 0 45 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.521 103.2-132.8 -99.3 -8.7 -45.8 -3.5 35.4 79 79 A R T <<5S+ 0 0 159 -3,-2.4 -3,-0.2 -4,-0.6 2,-0.2 0.925 73.0 9.8 59.2 43.4 -48.1 -4.4 32.6 80 80 A G < - 0 0 0 -5,-2.2 2,-0.3 -6,-0.1 26,-0.2 -0.603 60.1-125.8 139.4 161.5 -45.9 -2.5 30.1 81 81 A I - 0 0 0 24,-1.6 23,-2.3 -2,-0.2 24,-0.5 -0.978 31.5-123.1-142.5 125.2 -42.7 -0.7 29.1 82 82 A D - 0 0 0 -2,-0.3 -33,-2.1 21,-0.3 2,-0.2 -0.057 27.5-111.0 -61.6 168.3 -42.5 2.8 27.6 83 83 A S B >> -J 48 0C 16 19,-0.5 4,-2.9 -35,-0.3 3,-0.5 -0.563 30.9-102.4 -98.1 165.2 -40.9 3.6 24.3 84 84 A E T 34 S+ 0 0 41 -37,-3.5 -36,-0.1 1,-0.2 -1,-0.1 0.915 123.8 51.4 -52.1 -45.0 -37.7 5.6 23.9 85 85 A D T 34 S+ 0 0 138 -38,-0.4 -1,-0.2 1,-0.2 -37,-0.1 0.804 114.3 41.2 -63.3 -34.1 -39.8 8.6 22.9 86 86 A A T <4 S+ 0 0 43 -3,-0.5 -1,-0.2 1,-0.3 -2,-0.2 0.792 132.1 25.5 -84.1 -31.6 -42.0 8.4 25.9 87 87 A Y S < S- 0 0 8 -4,-2.9 -36,-0.5 15,-0.1 -35,-0.4 -0.710 90.1-159.8-133.9 79.3 -39.1 7.7 28.3 88 88 A P - 0 0 74 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.173 21.8-105.6 -61.3 151.1 -35.9 9.1 26.7 89 89 A Y + 0 0 52 1,-0.1 -40,-0.0 2,-0.1 -5,-0.0 -0.668 39.3 165.5 -84.1 125.7 -32.4 8.0 27.6 90 90 A V - 0 0 76 -2,-0.4 -1,-0.1 2,-0.1 3,-0.1 0.438 48.1-122.6-114.6 -8.3 -30.3 10.4 29.7 91 91 A G S S+ 0 0 15 1,-0.1 2,-0.2 -71,-0.1 -70,-0.1 0.921 78.6 85.7 66.4 45.6 -27.6 7.9 30.7 92 92 A Q S S- 0 0 111 -70,-0.1 -2,-0.1 -72,-0.0 -1,-0.1 -0.737 84.0 -99.0-177.3 126.0 -28.0 8.3 34.4 93 93 A E + 0 0 103 -2,-0.2 2,-0.2 -32,-0.1 -38,-0.1 -0.178 52.1 161.1 -47.9 127.5 -30.1 6.7 37.2 94 94 A E - 0 0 80 -43,-0.2 2,-0.1 1,-0.1 -1,-0.0 -0.646 46.5 -62.5-133.8-170.5 -33.0 9.0 38.0 95 95 A S - 0 0 92 -2,-0.2 2,-0.3 1,-0.1 -40,-0.1 -0.492 63.9 -92.8 -77.2 151.2 -36.4 8.5 39.7 96 96 A b + 0 0 70 -41,-0.3 -1,-0.1 -2,-0.1 -44,-0.1 -0.495 47.4 171.1 -67.8 125.1 -38.9 6.1 38.1 97 97 A M + 0 0 99 -2,-0.3 -1,-0.1 -45,-0.1 2,-0.1 -0.261 10.2 169.6-129.6 44.5 -41.1 8.2 35.8 98 98 A Y - 0 0 43 -46,-0.1 -11,-0.0 1,-0.1 -2,-0.0 -0.378 18.2-157.4 -62.3 133.8 -43.0 5.4 34.0 99 99 A N >> - 0 0 64 1,-0.1 3,-2.1 -2,-0.1 4,-0.7 -0.940 10.9-159.0-118.9 111.4 -46.0 6.7 31.9 100 100 A P G >4 S+ 0 0 80 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.836 94.9 61.5 -55.9 -35.0 -48.8 4.2 31.1 101 101 A T G 34 S+ 0 0 129 1,-0.2 -15,-0.0 -15,-0.1 -2,-0.0 0.707 103.3 52.9 -63.7 -20.3 -49.9 6.3 28.2 102 102 A G G <4 S+ 0 0 12 -3,-2.1 -19,-0.5 -16,-0.1 -1,-0.2 0.636 76.3 135.0 -88.2 -20.0 -46.4 5.7 26.8 103 103 A K << + 0 0 87 -3,-0.8 -21,-0.3 -4,-0.7 3,-0.1 0.013 21.5 168.4 -31.7 119.8 -46.7 1.9 27.1 104 104 A A - 0 0 25 -23,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.327 59.8 -5.4-123.0 4.3 -45.3 0.5 23.8 105 105 A A - 0 0 8 -24,-0.5 -24,-1.6 -26,-0.1 -1,-0.3 -0.976 53.2-169.9-179.0 172.0 -45.1 -3.2 24.7 106 106 A K - 0 0 62 -2,-0.3 2,-0.3 -26,-0.2 -30,-0.1 -0.919 11.5-140.8-161.3-176.9 -45.3 -5.8 27.5 107 107 A C - 0 0 10 -2,-0.3 108,-0.3 -32,-0.2 -28,-0.2 -0.983 16.8-141.4-161.2 149.6 -44.6 -9.5 28.1 108 108 A R S S- 0 0 154 106,-2.4 2,-0.3 -2,-0.3 107,-0.1 -0.233 75.4 -62.3-105.3 43.9 -45.9 -12.6 29.8 109 109 A G - 0 0 7 105,-0.3 105,-2.8 -37,-0.3 2,-0.3 -0.784 56.8-106.0 115.5-160.5 -42.6 -13.9 31.2 110 110 A Y E -B 213 0A 61 103,-0.3 2,-0.4 -2,-0.3 101,-0.0 -0.965 15.5-127.4-161.8 167.7 -39.4 -15.1 29.6 111 111 A R E -B 212 0A 142 101,-2.1 101,-1.6 -2,-0.3 2,-0.3 -0.991 15.5-140.2-132.0 137.2 -37.5 -18.3 28.9 112 112 A E E -B 211 0A 135 -2,-0.4 99,-0.2 99,-0.2 3,-0.0 -0.683 18.7-124.4 -93.2 146.6 -33.9 -19.2 29.8 113 113 A I - 0 0 14 97,-2.9 97,-0.2 -2,-0.3 3,-0.1 -0.657 43.5 -94.2 -84.9 142.1 -31.6 -21.1 27.4 114 114 A P > - 0 0 79 0, 0.0 3,-1.8 0, 0.0 2,-0.2 -0.384 58.0 -89.2 -57.7 138.5 -30.2 -24.2 29.1 115 115 A E T 3 S- 0 0 158 1,-0.3 93,-0.3 93,-0.1 3,-0.1 -0.271 103.3 -4.0 -54.4 116.2 -26.8 -23.2 30.6 116 116 A G T 3 S+ 0 0 32 91,-3.6 2,-0.9 -2,-0.2 -1,-0.3 0.570 91.6 133.1 80.4 10.4 -23.9 -23.6 28.1 117 117 A N <> + 0 0 65 -3,-1.8 4,-2.1 90,-0.4 -1,-0.2 -0.798 28.0 178.0 -98.5 100.0 -25.9 -25.2 25.3 118 118 A E H > S+ 0 0 16 -2,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.816 82.1 60.7 -69.4 -27.3 -25.0 -23.5 22.0 119 119 A K H > S+ 0 0 149 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.956 107.1 46.1 -60.4 -48.6 -27.4 -25.9 20.2 120 120 A A H > S+ 0 0 23 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.944 111.9 49.3 -57.3 -54.1 -30.3 -24.5 22.3 121 121 A L H X S+ 0 0 0 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.815 109.8 54.0 -57.3 -31.2 -29.3 -20.9 21.8 122 122 A K H X S+ 0 0 56 -4,-1.8 4,-1.7 2,-0.2 -1,-0.2 0.944 110.6 44.7 -68.6 -48.9 -29.0 -21.6 18.0 123 123 A R H X S+ 0 0 146 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.958 113.2 51.8 -58.9 -54.0 -32.6 -23.0 17.9 124 124 A A H >X>S+ 0 0 5 -4,-3.1 4,-2.6 1,-0.2 5,-0.7 0.963 109.0 47.4 -46.0 -73.1 -33.9 -20.1 20.0 125 125 A V H 3X5S+ 0 0 0 -4,-2.0 4,-0.6 1,-0.3 -1,-0.2 0.813 115.9 49.7 -38.9 -36.7 -32.3 -17.4 17.8 126 126 A A H 3<5S+ 0 0 22 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.940 120.9 30.0 -71.0 -48.0 -33.8 -19.3 14.9 127 127 A R H <<5S+ 0 0 156 -4,-3.0 -2,-0.2 -3,-0.5 -3,-0.2 0.514 132.1 28.2 -92.4 -6.9 -37.3 -19.7 16.1 128 128 A V H <5S- 0 0 18 -4,-2.6 -3,-0.2 -5,-0.3 -2,-0.1 0.680 96.1-127.0-123.5 -32.8 -37.8 -16.6 18.3 129 129 A G << + 0 0 0 -5,-0.7 -1,-0.2 -4,-0.6 -2,-0.1 -0.676 69.9 17.9 110.2-168.4 -35.6 -13.8 17.0 130 130 A P - 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