==== 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 27-OCT-98 1BY8 . COMPND 2 MOLECULE: PROTEIN (PROCATHEPSIN K); . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.LALONDE,B.ZHAO,W.W.SMITH,C.A.JANSON,R.L.DESJARLAIS, . 310 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14838.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 191 61.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 12.9 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 . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 1 0.3 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 . 23 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 23.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 0 1 0 1 0 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 0 2 1 1 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 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 5 A E > 0 0 222 0, 0.0 3,-0.7 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -31.7 10.6 -1.3 55.8 2 6 A I T >> + 0 0 116 1,-0.3 3,-1.4 2,-0.1 4,-1.4 0.204 360.0 130.3 -72.9 18.6 11.6 0.0 59.2 3 7 A L H 3> + 0 0 53 1,-0.3 4,-3.0 2,-0.2 5,-0.3 0.790 57.7 73.5 -43.2 -32.8 12.7 3.2 57.5 4 8 A D H <> S+ 0 0 128 -3,-0.7 4,-0.9 1,-0.2 -1,-0.3 0.936 102.3 37.3 -49.0 -54.8 10.6 5.0 60.1 5 9 A T H <> S+ 0 0 81 -3,-1.4 4,-1.2 1,-0.2 3,-0.3 0.901 117.2 52.5 -66.8 -41.0 13.1 4.4 62.9 6 10 A H H X S+ 0 0 95 -4,-1.4 4,-2.8 2,-0.2 3,-0.5 0.926 96.2 62.6 -63.5 -49.3 16.1 4.8 60.6 7 11 A W H X S+ 0 0 12 -4,-3.0 4,-1.5 1,-0.3 -1,-0.2 0.884 105.1 52.3 -44.1 -40.3 15.3 8.2 59.2 8 12 A E H X S+ 0 0 103 -4,-0.9 4,-3.7 -5,-0.3 5,-0.3 0.924 108.5 49.4 -61.4 -45.4 15.6 9.4 62.8 9 13 A L H X S+ 0 0 105 -4,-1.2 4,-3.3 -3,-0.5 -2,-0.2 0.952 113.4 44.7 -58.0 -51.5 19.0 7.7 63.0 10 14 A W H X S+ 0 0 24 -4,-2.8 4,-0.6 2,-0.2 -1,-0.2 0.744 115.5 52.8 -64.3 -22.6 20.1 9.4 59.8 11 15 A K H ><>S+ 0 0 22 -4,-1.5 3,-1.8 -5,-0.5 5,-1.1 0.982 112.6 38.8 -74.5 -65.1 18.5 12.5 61.2 12 16 A K H 3<5S+ 0 0 179 -4,-3.7 -2,-0.2 1,-0.3 -3,-0.2 0.896 106.8 67.4 -51.1 -44.9 20.3 12.5 64.6 13 17 A T H 3<5S+ 0 0 92 -4,-3.3 -1,-0.3 -5,-0.3 -2,-0.2 0.802 113.2 30.9 -46.9 -33.5 23.5 11.4 62.8 14 18 A H T <<5S- 0 0 38 -3,-1.8 -3,-0.0 -4,-0.6 44,-0.0 -0.437 105.9 -87.4-113.5-169.6 23.5 14.8 61.2 15 19 A R T 5 + 0 0 223 -2,-0.2 2,-0.4 43,-0.1 -3,-0.1 -0.052 65.5 154.9 -92.4 33.5 22.3 18.2 62.3 16 20 A K < + 0 0 31 -5,-1.1 -2,-0.1 -6,-0.2 -5,-0.0 -0.480 1.7 149.9 -66.5 118.6 18.8 17.6 60.9 17 21 A Q - 0 0 140 -2,-0.4 -1,-0.2 2,-0.1 3,-0.1 0.748 21.0-174.0-110.7 -63.2 16.3 19.9 62.8 18 22 A Y - 0 0 31 1,-0.2 6,-0.5 6,-0.1 5,-0.2 0.764 21.5-147.9 68.6 29.8 13.5 20.7 60.5 19 23 A N S S+ 0 0 150 2,-0.1 4,-0.3 4,-0.1 -1,-0.2 0.046 74.5 23.6 -30.0 118.3 11.8 23.1 62.9 20 24 A N S >> S- 0 0 118 -3,-0.1 3,-1.1 1,-0.1 4,-1.0 0.816 87.4-115.4 79.2 107.6 8.1 22.7 62.1 21 25 A K H 3> S+ 0 0 160 1,-0.3 4,-0.8 2,-0.2 5,-0.2 0.431 96.9 97.5 -49.7 -0.5 6.9 19.4 60.5 22 26 A V H 34 S+ 0 0 108 1,-0.2 -1,-0.3 2,-0.1 4,-0.2 0.989 101.4 16.5 -53.9 -65.7 6.0 21.5 57.4 23 27 A D H X> S+ 0 0 89 -3,-1.1 4,-3.0 -4,-0.3 3,-0.8 0.768 115.3 80.8 -80.0 -26.9 9.3 20.7 55.6 24 28 A E H >X S+ 0 0 37 -4,-1.0 4,-2.1 -6,-0.5 3,-0.6 0.921 97.3 35.8 -41.2 -83.9 10.1 17.7 57.8 25 29 A I H 3X S+ 0 0 105 -4,-0.8 4,-0.7 1,-0.2 -1,-0.3 0.634 117.7 59.6 -49.3 -14.7 7.9 15.0 56.3 26 30 A S H X> S+ 0 0 57 -3,-0.8 4,-1.7 -4,-0.2 3,-0.5 0.949 105.0 43.2 -80.4 -53.9 8.7 16.7 53.0 27 31 A R H X S+ 0 0 90 -4,-2.2 3,-2.2 2,-0.2 4,-2.1 0.986 116.4 47.8 -58.5 -62.6 18.8 0.9 41.9 41 45 A H H 3X S+ 0 0 2 -4,-2.8 4,-1.4 1,-0.3 3,-0.3 0.899 109.7 51.9 -43.9 -57.2 22.1 2.4 40.8 42 46 A N H 3X S+ 0 0 53 -4,-3.0 4,-1.2 -5,-0.3 -1,-0.3 0.668 111.4 50.4 -57.9 -16.5 24.2 0.2 43.1 43 47 A L H S+ 0 0 76 -4,-2.1 5,-3.8 -3,-0.3 4,-1.2 0.703 108.7 54.2 -67.5 -18.9 23.0 -1.6 38.0 45 49 A A H <5S+ 0 0 22 -4,-1.4 -1,-0.2 -5,-0.3 -2,-0.2 0.929 99.5 56.8 -78.5 -49.7 26.6 -1.6 39.1 46 50 A S H <5S+ 0 0 89 -4,-1.2 -2,-0.2 1,-0.3 -1,-0.2 0.765 112.6 44.8 -52.0 -27.5 26.7 -5.1 40.4 47 51 A L H <5S- 0 0 134 -4,-1.0 -1,-0.3 -5,-0.0 -2,-0.2 0.814 124.1-107.9 -86.1 -34.9 25.6 -6.0 36.9 48 52 A G T <5S+ 0 0 56 -4,-1.2 -3,-0.2 -5,-0.1 -2,-0.1 0.665 80.2 125.7 114.8 25.0 28.1 -3.7 35.3 49 53 A V S - 0 0 7 -2,-0.1 3,-0.9 181,-0.0 226,-0.1 -0.778 55.3 -74.2-138.3-178.9 25.5 11.2 52.7 58 62 A H T 3 S+ 0 0 25 1,-0.3 4,-0.2 -2,-0.2 -43,-0.1 0.268 123.6 68.7 -67.0 17.7 24.5 14.4 54.6 59 63 A L T 3 + 0 0 3 179,-0.1 -1,-0.3 2,-0.1 8,-0.1 -0.154 60.9 109.7-127.7 36.7 22.7 15.4 51.4 60 64 A G S < S+ 0 0 0 -3,-0.9 -26,-0.3 1,-0.1 -2,-0.1 0.939 81.2 44.7 -76.1 -48.7 19.9 12.8 51.4 61 65 A D S S+ 0 0 6 -27,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.930 104.3 72.4 -61.4 -49.5 17.1 15.3 52.2 62 66 A M S S- 0 0 25 -4,-0.2 2,-0.3 1,-0.1 3,-0.1 0.138 78.9-133.2 -55.2-178.0 18.3 17.9 49.7 63 67 A T > - 0 0 19 1,-0.1 4,-1.8 -29,-0.0 5,-0.3 -0.830 23.0 -95.6-134.8 173.5 17.9 17.3 46.0 64 68 A S H > S+ 0 0 26 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.977 121.4 41.9 -54.6 -68.9 20.0 17.7 42.8 65 69 A E H 4 S+ 0 0 123 1,-0.2 -1,-0.2 2,-0.2 5,-0.0 0.764 111.6 62.8 -51.6 -27.9 18.9 21.1 41.6 66 70 A E H >> S+ 0 0 19 2,-0.2 3,-2.7 1,-0.2 4,-1.7 0.996 107.1 36.4 -61.7 -68.8 19.1 22.2 45.3 67 71 A V H 3X S+ 0 0 3 -4,-1.8 4,-3.2 1,-0.3 3,-0.3 0.918 113.9 58.0 -51.1 -48.0 22.9 21.6 45.9 68 72 A V H 3< S+ 0 0 34 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.585 113.9 43.4 -59.8 -5.3 23.6 22.8 42.4 69 73 A Q H <4 S+ 0 0 140 -3,-2.7 -2,-0.3 -5,-0.2 -1,-0.2 0.690 129.4 18.5-111.8 -29.3 21.8 25.9 43.6 70 74 A K H < S+ 0 0 62 -4,-1.7 -3,-0.2 -3,-0.3 -2,-0.2 0.360 125.9 45.1-126.5 5.3 23.3 26.5 47.1 71 75 A M S < S+ 0 0 11 -4,-3.2 -3,-0.1 -5,-0.3 -4,-0.1 0.082 99.6 66.7-137.9 25.7 26.5 24.5 47.2 72 76 A T + 0 0 15 -5,-0.2 48,-1.1 185,-0.1 185,-0.2 0.043 47.4 176.2-115.0-134.5 28.2 25.3 43.9 73 77 A G + 0 0 10 183,-1.0 88,-1.7 1,-0.2 184,-0.2 0.175 22.6 142.9 151.3 -26.4 29.6 28.7 42.9 74 78 A L - 0 0 20 182,-1.2 -1,-0.2 86,-0.2 88,-0.2 -0.006 24.0-173.4 -42.4 147.6 31.3 28.4 39.6 75 79 A K - 0 0 95 86,-0.4 -1,-0.1 85,-0.1 181,-0.1 -0.520 20.6-140.3-149.1 71.4 30.9 31.5 37.3 76 80 A V - 0 0 80 179,-0.4 86,-0.1 1,-0.1 228,-0.0 -0.025 28.3-144.5 -35.1 120.1 32.4 30.8 33.9 77 81 A P - 0 0 47 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.077 21.0 -73.7 -84.2-170.9 34.0 34.2 33.0 78 82 A L S S- 0 0 148 1,-0.2 0, 0.0 2,-0.0 0, 0.0 0.118 73.9 -45.9 -70.1-171.5 34.4 36.0 29.7 79 83 A S + 0 0 105 1,-0.1 -1,-0.2 2,-0.0 0, 0.0 -0.133 60.2 143.6 -59.8 154.3 36.7 35.2 26.8 80 84 A H + 0 0 69 -3,-0.1 -1,-0.1 5,-0.0 5,-0.1 0.273 28.0 129.2-161.7 -27.6 40.4 34.3 27.4 81 85 A S + 0 0 78 1,-0.2 -2,-0.0 2,-0.1 7,-0.0 -0.017 14.8 125.5 -45.0 141.0 41.2 31.6 24.8 82 86 A R - 0 0 136 3,-0.1 -1,-0.2 0, 0.0 0, 0.0 0.216 48.6-146.6-160.1 -56.4 44.4 32.2 22.7 83 87 A S S S+ 0 0 74 1,-0.0 -2,-0.1 0, 0.0 0, 0.0 0.807 97.4 47.7 73.3 33.9 46.8 29.3 22.9 84 88 A N S S+ 0 0 117 6,-0.0 -3,-0.0 0, 0.0 -1,-0.0 0.149 84.5 125.2-179.9 7.9 49.8 31.7 22.6 85 89 A D S S- 0 0 85 -5,-0.1 -3,-0.1 1,-0.1 -4,-0.0 0.039 74.7-100.9 -70.5-174.5 48.9 34.3 25.2 86 90 A T S S+ 0 0 100 1,-0.2 -1,-0.1 3,-0.0 0, 0.0 0.837 120.8 40.3 -79.4 -36.4 51.0 35.4 28.1 87 91 A L S S+ 0 0 48 119,-0.1 120,-2.1 2,-0.1 -1,-0.2 0.416 90.0 112.7 -94.1 0.1 49.2 33.3 30.8 88 92 A Y B -b 207 0B 43 118,-0.2 120,-0.2 1,-0.1 -7,-0.0 -0.288 60.3-140.7 -66.7 158.2 48.8 30.2 28.6 89 93 A I - 0 0 25 118,-0.9 2,-0.9 117,-0.1 130,-0.1 -0.878 18.0-177.1-130.9 102.9 50.8 27.2 29.6 90 94 A P - 0 0 89 0, 0.0 118,-0.0 0, 0.0 -2,-0.0 -0.844 29.4-131.0 -99.5 101.0 52.5 25.0 27.0 91 95 A E - 0 0 76 -2,-0.9 2,-0.2 1,-0.1 128,-0.0 -0.026 27.1-110.6 -45.0 151.4 54.1 22.0 28.7 92 96 A W - 0 0 155 1,-0.1 2,-2.9 3,-0.1 -1,-0.1 -0.616 33.6 -91.4 -92.8 153.7 57.7 21.4 27.7 93 97 A E S S+ 0 0 189 -2,-0.2 2,-0.1 1,-0.0 -1,-0.1 -0.298 90.0 105.1 -61.7 70.1 59.0 18.4 25.7 94 98 A G S S- 0 0 35 -2,-2.9 2,-0.4 0, 0.0 -1,-0.0 -0.165 70.8 -78.3-123.1-142.4 59.8 16.3 28.7 95 99 A R - 0 0 161 -2,-0.1 -3,-0.1 123,-0.1 -2,-0.0 -0.991 24.7-150.7-138.8 143.0 58.1 13.3 30.3 96 100 A A - 0 0 5 -2,-0.4 122,-0.1 1,-0.2 121,-0.0 -0.885 24.0-119.2-111.8 139.9 55.1 12.6 32.6 97 101 A P - 0 0 66 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.325 22.3-116.7 -55.8-163.3 54.8 9.8 35.1 98 102 A D S S+ 0 0 145 1,-0.4 2,-0.3 166,-0.1 168,-0.0 0.572 91.4 4.2-114.0 -22.3 52.1 7.1 34.9 99 103 A S + 0 0 78 166,-0.1 -1,-0.4 2,-0.0 2,-0.3 -0.844 63.1 179.7-168.4 128.1 50.3 7.9 38.2 100 104 A V - 0 0 16 164,-0.3 164,-1.3 -2,-0.3 2,-0.4 -0.974 9.2-170.2-135.1 148.0 50.7 10.6 40.9 101 105 A D B -J 263 0C 29 -2,-0.3 3,-0.3 162,-0.2 4,-0.3 -0.949 8.3-162.8-138.5 112.2 49.0 11.3 44.1 102 106 A Y S >S+ 0 0 14 160,-3.2 5,-1.8 -2,-0.4 6,-0.6 0.360 83.3 70.0 -80.4 8.5 49.8 14.6 45.8 103 107 A R T > 5S+ 0 0 94 159,-0.3 3,-2.6 3,-0.2 5,-0.2 0.888 93.6 52.3 -87.7 -45.3 48.3 13.5 49.1 104 108 A K T 3 5S+ 0 0 177 -3,-0.3 -2,-0.2 1,-0.3 -1,-0.1 0.646 107.4 57.8 -63.3 -13.5 51.0 10.9 49.9 105 109 A K T 3 5S- 0 0 107 -4,-0.3 -1,-0.3 0, 0.0 -2,-0.2 0.400 111.5-124.4 -95.0 -1.8 53.4 13.9 49.3 106 110 A G T < 5S+ 0 0 34 -3,-2.6 -3,-0.2 1,-0.1 -2,-0.1 0.762 75.9 126.7 63.5 24.1 51.7 15.9 52.0 107 111 A Y < + 0 0 52 -5,-1.8 2,-0.2 155,-0.1 -4,-0.2 0.584 60.1 65.3 -86.5 -11.5 51.1 18.6 49.4 108 112 A V S S- 0 0 22 -6,-0.6 32,-0.1 -5,-0.2 20,-0.0 -0.693 70.9-141.1-111.1 164.9 47.4 18.7 50.2 109 113 A T - 0 0 9 -2,-0.2 -2,-0.0 1,-0.2 32,-0.0 -0.805 37.4 -75.2-121.1 162.2 45.3 19.6 53.3 110 114 A P - 0 0 90 0, 0.0 2,-0.2 0, 0.0 -1,-0.2 -0.027 57.3 -97.9 -51.4 158.7 42.2 18.2 55.0 111 115 A V - 0 0 24 175,-0.2 2,-0.2 1,-0.0 170,-0.2 -0.558 38.8-160.9 -84.4 147.9 38.9 18.8 53.3 112 116 A K - 0 0 57 165,-0.5 168,-1.6 -2,-0.2 2,-0.5 -0.537 20.6-111.4-116.7-177.6 36.6 21.5 54.5 113 117 A N B -K 279 0D 66 166,-0.2 166,-0.2 -2,-0.2 3,-0.1 -0.901 15.9-170.4-123.2 102.2 32.9 22.4 54.1 114 118 A Q - 0 0 1 164,-2.4 2,-0.2 -2,-0.5 -1,-0.2 0.880 35.5-167.5 -56.3 -35.8 32.0 25.4 52.0 115 119 A G - 0 0 20 163,-0.5 2,-1.4 1,-0.1 -1,-0.2 -0.530 49.5 -17.2 85.8-151.8 28.5 25.0 53.3 116 120 A Q S S+ 0 0 114 -2,-0.2 2,-0.3 -3,-0.1 -45,-0.2 -0.468 114.0 90.7 -90.3 62.6 25.5 26.8 51.9 117 121 A a S S- 0 0 5 -2,-1.4 2,-4.0 -47,-0.1 3,-0.2 -0.954 86.5-113.7-158.7 135.7 27.5 29.3 50.0 118 122 A G S S+ 0 0 9 40,-1.8 3,-0.4 -2,-0.3 42,-0.3 -0.227 70.1 131.3 -67.2 57.1 29.0 29.6 46.6 119 123 A S > + 0 0 0 -2,-4.0 4,-2.9 1,-0.2 5,-0.3 0.249 33.5 104.0 -93.5 11.3 32.5 29.4 48.1 120 124 A C H > S+ 0 0 0 -48,-1.1 4,-2.9 1,-0.2 5,-0.3 0.945 76.9 54.4 -58.3 -47.8 33.6 26.7 45.7 121 125 A W H > S+ 0 0 0 -3,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.892 114.5 41.0 -52.8 -42.8 35.6 29.2 43.6 122 126 A A H > S+ 0 0 0 -4,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.862 115.1 49.8 -75.5 -36.4 37.5 30.3 46.8 123 127 A F H < S+ 0 0 23 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.803 111.9 50.4 -72.3 -27.7 37.8 26.8 48.2 124 128 A S H >X S+ 0 0 3 -4,-2.9 4,-1.0 -5,-0.3 3,-0.8 0.891 115.6 40.0 -76.4 -40.4 39.2 25.6 44.8 125 129 A S H 3X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.3 3,-0.4 0.892 107.8 61.5 -74.9 -39.6 41.8 28.4 44.5 126 130 A V H 3< S+ 0 0 6 -4,-2.6 17,-0.4 1,-0.2 -1,-0.2 0.332 103.9 56.3 -69.5 11.7 42.7 28.2 48.2 127 131 A G H X> S+ 0 0 5 -3,-0.8 4,-1.8 3,-0.1 3,-0.6 0.764 109.9 36.1-109.1 -43.9 43.7 24.7 47.4 128 132 A A H 3X S+ 0 0 0 -4,-1.0 4,-1.1 -3,-0.4 5,-0.2 0.799 111.5 63.8 -77.4 -31.0 46.2 25.0 44.6 129 133 A L H 3< S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 4,-0.2 0.449 108.2 45.0 -70.6 0.6 47.4 28.2 46.4 130 134 A E H <> S+ 0 0 3 -3,-0.6 4,-1.1 -5,-0.2 3,-0.4 0.768 100.4 61.3-107.2 -53.2 48.3 25.7 49.1 131 135 A G H X S+ 0 0 0 -4,-1.8 4,-1.0 1,-0.3 -2,-0.2 0.720 109.2 48.2 -48.7 -23.7 50.0 23.0 47.2 132 136 A Q H < S+ 0 0 20 -4,-1.1 5,-0.4 2,-0.2 -1,-0.3 0.857 99.1 62.7 -86.3 -39.7 52.5 25.6 46.1 133 137 A L H > S+ 0 0 5 -3,-0.4 4,-0.6 1,-0.3 6,-0.5 0.686 111.2 44.0 -58.9 -14.9 53.2 27.0 49.6 134 138 A K H X S+ 0 0 60 -4,-1.1 4,-1.3 3,-0.2 -1,-0.3 0.808 108.0 55.9 -95.1 -39.6 54.4 23.5 50.2 135 139 A K H < S+ 0 0 89 -4,-1.0 -2,-0.2 -5,-0.2 -1,-0.1 0.123 125.4 22.5 -80.9 22.1 56.4 23.2 47.0 136 140 A K H 4 S+ 0 0 129 -3,-0.2 -1,-0.2 -4,-0.1 -3,-0.2 0.368 133.5 34.1-153.8 -30.4 58.4 26.4 47.8 137 141 A T H < S- 0 0 84 -4,-0.6 -3,-0.2 -5,-0.4 -2,-0.1 0.608 87.4-140.6-107.0 -20.7 58.2 26.8 51.6 138 142 A G S < S+ 0 0 44 -4,-1.3 2,-0.5 -6,-0.3 -4,-0.2 0.165 74.6 97.8 80.4 -21.3 58.2 23.2 52.5 139 143 A K - 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