==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-SEP-10 3OSZ . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR A.SINGH,M.SINHA,A.BHUSHAN,P.KAUR,A.SRINIVASAN,S.SHARMA,T.P.S . 289 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10837.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 182 63.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.9 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 . 3 1.0 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 . 20 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 56 19.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 0 1 0 1 0 0 1 0 1 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 0 1 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 PARALLEL BRIDGES PER LADDER . 1 3 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 ANTIPARALLEL BRIDGES PER LADDER . 3 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 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 31 0, 0.0 24,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.4 24.9 -22.3 -16.8 2 2 A A E -A 24 0A 59 22,-0.2 2,-0.6 2,-0.0 22,-0.2 -0.991 360.0-160.2-141.7 135.2 26.4 -24.3 -14.1 3 3 A Q E > -A 23 0A 30 20,-2.0 20,-2.6 -2,-0.4 3,-0.5 -0.945 22.6-149.3-113.2 110.7 27.9 -23.5 -10.7 4 4 A T T 3 S+ 0 0 96 -2,-0.6 18,-0.2 1,-0.2 -2,-0.0 -0.456 76.2 14.4 -78.9 152.5 30.1 -26.3 -9.4 5 5 A N T 3 S+ 0 0 137 1,-0.1 -1,-0.2 -2,-0.1 17,-0.2 0.908 90.5 169.9 52.9 47.3 30.5 -27.0 -5.7 6 6 A A < - 0 0 10 15,-3.1 -1,-0.1 -3,-0.5 76,-0.1 -0.397 47.3 -77.4 -89.0 166.4 27.5 -24.9 -5.0 7 7 A P >> - 0 0 23 0, 0.0 4,-1.7 0, 0.0 3,-0.9 -0.363 50.6-113.0 -56.8 143.9 25.8 -24.7 -1.6 8 8 A W H 3> S+ 0 0 27 1,-0.2 4,-2.5 199,-0.2 5,-0.1 0.831 113.5 60.1 -50.9 -36.8 23.7 -27.9 -1.3 9 9 A G H 3> S+ 0 0 2 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.875 104.4 47.3 -60.8 -41.2 20.4 -26.0 -1.4 10 10 A L H <4 S+ 0 0 1 -3,-0.9 4,-0.4 2,-0.2 -1,-0.2 0.919 113.2 49.3 -66.8 -42.8 21.1 -24.4 -4.8 11 11 A A H >< S+ 0 0 0 -4,-1.7 3,-1.1 1,-0.2 13,-0.2 0.908 108.6 54.8 -61.5 -42.4 22.1 -27.8 -6.2 12 12 A R H >< S+ 0 0 4 -4,-2.5 3,-1.4 1,-0.3 -1,-0.2 0.858 102.7 53.2 -61.1 -41.4 18.9 -29.4 -4.8 13 13 A I T 3< S+ 0 0 2 -4,-1.6 262,-3.2 1,-0.3 263,-0.3 0.521 110.5 49.4 -75.9 -2.9 16.5 -27.0 -6.4 14 14 A S T < S+ 0 0 9 -3,-1.1 2,-0.3 -4,-0.4 -1,-0.3 0.109 108.1 66.6-119.2 18.5 18.0 -27.8 -9.8 15 15 A S < - 0 0 15 -3,-1.4 242,-0.1 5,-0.1 261,-0.1 -0.959 66.3-144.1-136.7 158.3 17.9 -31.6 -9.4 16 16 A T S S+ 0 0 81 -2,-0.3 -4,-0.1 2,-0.1 -1,-0.1 0.476 91.2 46.6 -94.3 -5.9 15.3 -34.3 -9.1 17 17 A S S S- 0 0 53 -5,-0.0 3,-0.5 240,-0.0 170,-0.0 -0.967 83.9-114.6-137.1 152.7 17.5 -36.2 -6.6 18 18 A P S S+ 0 0 56 0, 0.0 168,-0.1 0, 0.0 -2,-0.1 -0.248 86.1 53.9 -77.0 170.5 19.5 -35.3 -3.4 19 19 A G S S+ 0 0 81 166,-0.4 2,-0.1 1,-0.3 167,-0.0 0.439 71.6 124.4 87.2 -0.8 23.3 -35.5 -3.2 20 20 A T - 0 0 54 -3,-0.5 -1,-0.3 -12,-0.1 -8,-0.1 -0.479 42.2-162.1 -89.1 165.9 24.4 -33.4 -6.2 21 21 A S + 0 0 61 -2,-0.1 -15,-3.1 -10,-0.1 2,-0.4 0.333 59.9 89.4-129.4 5.4 26.8 -30.4 -5.9 22 22 A T - 0 0 28 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.905 61.5-147.1-110.1 133.8 26.2 -28.5 -9.2 23 23 A Y E -A 3 0A 0 -20,-2.6 -20,-2.0 -2,-0.4 2,-0.5 -0.878 14.9-162.5-101.2 111.6 23.6 -25.8 -9.5 24 24 A Y E +A 2 0A 107 -2,-0.7 2,-0.3 -13,-0.2 -22,-0.2 -0.811 23.3 149.3 -95.7 130.8 22.2 -25.7 -13.1 25 25 A Y - 0 0 35 -24,-2.0 2,-0.3 -2,-0.5 -11,-0.0 -0.991 48.5 -93.2-156.4 159.0 20.3 -22.5 -14.1 26 26 A D > - 0 0 50 -2,-0.3 3,-2.0 1,-0.1 4,-0.1 -0.578 36.5-122.8 -77.1 136.7 19.5 -20.3 -17.1 27 27 A E T 3 S+ 0 0 97 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 0.705 104.5 76.3 -50.3 -28.3 21.9 -17.4 -17.7 28 28 A S T > S- 0 0 28 1,-0.1 3,-1.9 2,-0.1 -1,-0.3 0.883 75.1-176.6 -53.0 -38.6 19.1 -14.9 -17.5 29 29 A A T < - 0 0 0 -3,-2.0 58,-2.6 1,-0.3 59,-0.3 0.761 65.7 -52.5 45.8 43.5 19.2 -15.5 -13.7 30 30 A G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 59,-0.3 0.583 85.6 163.9 76.7 7.9 16.3 -13.2 -12.6 31 31 A Q T < + 0 0 117 -3,-1.9 -1,-0.2 1,-0.3 57,-0.2 -0.399 65.8 26.3 -62.4 130.3 17.6 -10.2 -14.4 32 32 A G T 3 S+ 0 0 27 1,-0.4 93,-2.8 55,-0.4 94,-0.5 0.319 103.2 100.3 97.8 -8.6 14.8 -7.6 -14.8 33 33 A S E < -b 126 0B 1 -3,-2.0 56,-1.9 92,-0.2 -1,-0.4 -0.680 60.1-144.2-105.4 162.6 13.0 -8.8 -11.7 34 34 A a E -bc 127 89B 3 92,-2.4 94,-2.6 -2,-0.2 2,-0.5 -0.988 7.6-163.6-131.6 141.0 13.0 -7.3 -8.2 35 35 A V E -bc 128 90B 0 54,-2.7 56,-2.4 -2,-0.4 2,-0.5 -0.976 7.8-153.2-128.2 121.4 12.9 -8.9 -4.8 36 36 A Y E -bc 129 91B 0 92,-3.1 94,-3.1 -2,-0.5 2,-0.7 -0.800 7.6-156.3 -90.7 126.3 12.1 -7.0 -1.6 37 37 A V E -bc 130 92B 1 54,-3.1 56,-2.3 -2,-0.5 2,-1.1 -0.917 4.6-163.9-105.9 106.9 13.7 -8.5 1.5 38 38 A I E + c 0 93B 0 92,-1.8 94,-0.3 -2,-0.7 56,-0.2 -0.788 51.2 88.6 -93.8 96.7 11.6 -7.5 4.5 39 39 A D E S- c 0 94B 1 54,-1.5 56,-2.1 -2,-1.1 57,-1.7 -0.552 95.9 -36.0-156.8-142.5 13.9 -8.3 7.4 40 40 A T S S- 0 0 0 1,-0.3 26,-0.4 54,-0.2 27,-0.2 0.404 97.2 -95.2 -81.6 4.6 16.7 -6.8 9.5 41 41 A G - 0 0 1 52,-0.3 2,-0.4 -4,-0.2 -1,-0.3 -0.585 38.9 -89.4 111.1-176.3 18.1 -5.0 6.5 42 42 A I - 0 0 4 21,-0.5 2,-2.1 -2,-0.2 3,-0.1 -0.996 18.5-129.8-139.7 131.6 20.8 -5.8 4.0 43 43 A E > - 0 0 43 -2,-0.4 3,-2.1 1,-0.2 6,-0.2 -0.594 32.7-175.0 -79.0 84.2 24.6 -5.1 4.1 44 44 A A T 3 S+ 0 0 33 -2,-2.1 7,-0.4 1,-0.3 9,-0.3 0.690 72.2 65.2 -55.7 -23.8 24.4 -3.6 0.6 45 45 A S T 3 + 0 0 105 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.499 69.8 123.4 -81.5 -2.3 28.2 -3.1 0.4 46 46 A H X - 0 0 9 -3,-2.1 3,-2.8 1,-0.2 4,-0.4 -0.433 67.2-133.1 -63.1 123.4 28.9 -6.8 0.5 47 47 A P G > S+ 0 0 82 0, 0.0 3,-1.5 0, 0.0 -1,-0.2 0.771 101.6 70.3 -45.3 -33.8 30.9 -7.8 -2.6 48 48 A E G 3 S+ 0 0 17 1,-0.3 32,-2.6 2,-0.1 33,-0.1 0.662 93.2 55.5 -63.1 -17.4 28.6 -10.7 -3.1 49 49 A F G X S- 0 0 0 -3,-2.8 3,-3.0 30,-0.2 -1,-0.3 0.577 91.8-148.3 -91.5 -10.4 25.8 -8.4 -4.1 50 50 A E T < - 0 0 103 -3,-1.5 -2,-0.1 -4,-0.4 -5,-0.1 0.771 67.6 -59.2 52.5 31.1 27.9 -6.7 -6.9 51 51 A G T 3 S+ 0 0 70 -5,-0.4 -1,-0.3 -7,-0.4 -6,-0.1 0.601 114.0 115.9 72.9 7.4 26.0 -3.5 -6.3 52 52 A R < + 0 0 37 -3,-3.0 38,-2.9 26,-0.1 2,-0.4 0.382 62.1 75.1 -89.5 4.2 22.6 -5.1 -7.1 53 53 A A E +d 90 0B 8 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.912 53.3 163.8-121.3 144.6 21.4 -4.5 -3.5 54 54 A Q E -d 91 0B 91 36,-1.6 38,-2.4 -2,-0.4 2,-0.3 -0.979 35.8-117.9-158.9 145.8 20.2 -1.4 -1.8 55 55 A M E +d 92 0B 37 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.641 29.7 170.3 -80.4 135.5 18.2 -0.3 1.3 56 56 A V E + 0 0 31 36,-2.5 2,-0.3 1,-0.3 37,-0.2 0.536 62.9 16.7-119.3 -13.2 15.1 1.6 0.5 57 57 A K E -d 93 0B 75 35,-1.3 37,-2.8 6,-0.1 -1,-0.3 -0.954 52.2-179.3-166.8 135.6 13.4 1.9 3.8 58 58 A T E -d 94 0B 39 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.983 17.6-160.4-137.7 148.1 14.0 1.5 7.6 59 59 A Y S S+ 0 0 67 35,-1.6 2,-0.2 -2,-0.3 36,-0.1 0.190 77.0 61.1-110.9 14.9 11.8 1.8 10.6 60 60 A Y S S- 0 0 62 2,-0.4 -2,-0.1 34,-0.1 34,-0.1 -0.633 105.0 -79.2-127.7-174.8 14.6 2.3 13.1 61 61 A Y S S+ 0 0 235 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.782 112.2 26.0 -59.5 -31.4 17.5 4.8 13.7 62 62 A S - 0 0 57 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.873 60.8-142.5-132.2 164.5 19.6 3.2 10.9 63 63 A S + 0 0 52 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.402 69.5 115.4-103.0 -3.0 19.1 1.2 7.7 64 64 A R S S- 0 0 192 -23,-0.1 2,-1.0 1,-0.1 -2,-0.1 -0.375 72.2-122.9 -69.1 141.8 22.2 -0.8 8.5 65 65 A D + 0 0 4 1,-0.2 -24,-0.1 -23,-0.1 -1,-0.1 -0.788 35.9 169.5 -88.2 102.5 21.8 -4.6 9.2 66 66 A G S S+ 0 0 32 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.305 72.7 49.7 -96.6 9.8 23.3 -5.0 12.7 67 67 A N S S- 0 0 27 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.799 87.7-138.2-111.0 -54.0 22.0 -8.5 13.0 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.2 -28,-0.1 5,-0.2 0.025 75.8 101.5 115.4 -27.4 22.9 -10.5 9.9 69 69 A H H > S+ 0 0 9 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.936 85.1 45.7 -55.1 -51.0 19.7 -12.4 9.4 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.859 112.2 50.7 -62.6 -38.0 18.5 -10.1 6.6 71 71 A T H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 140,-0.3 0.848 109.4 52.6 -68.8 -33.7 21.8 -10.2 4.8 72 72 A H H X S+ 0 0 0 -4,-2.2 4,-1.4 2,-0.2 139,-0.4 0.952 112.1 43.8 -66.4 -49.4 21.8 -14.0 5.0 73 73 A C H X S+ 0 0 0 -4,-2.3 4,-1.5 1,-0.2 3,-0.4 0.919 111.9 52.6 -62.6 -46.0 18.3 -14.3 3.4 74 74 A A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.874 106.2 55.8 -57.9 -37.7 19.0 -11.7 0.7 75 75 A G H X S+ 0 0 0 -4,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.849 104.7 51.3 -64.1 -35.7 22.2 -13.6 -0.2 76 76 A T H < S+ 0 0 1 -4,-1.4 8,-1.9 -3,-0.4 -1,-0.2 0.801 111.0 50.4 -72.2 -27.5 20.2 -16.8 -0.8 77 77 A V H < S- 0 0 0 -4,-1.5 8,-2.9 6,-0.2 7,-0.5 0.977 138.7 -17.6 -73.4 -55.3 17.8 -14.8 -3.0 78 78 A G H < S+ 0 0 0 -4,-2.7 2,-0.2 5,-0.2 -2,-0.2 0.090 80.3 132.9-150.0 39.8 20.5 -13.2 -5.2 79 79 A S X - 0 0 0 -4,-2.5 4,-1.7 1,-0.1 -30,-0.2 -0.595 63.6-115.5 -81.8 155.1 24.2 -13.1 -4.1 80 80 A R T 4 S+ 0 0 110 -32,-2.6 6,-0.1 -2,-0.2 -1,-0.1 0.923 109.6 26.6 -59.9 -42.3 26.5 -14.2 -6.9 81 81 A T T 4 S+ 0 0 44 -33,-0.1 -1,-0.2 1,-0.1 5,-0.0 0.814 133.8 29.2 -91.2 -31.9 27.7 -17.3 -5.0 82 82 A Y T 4 S+ 0 0 38 -7,-0.2 2,-0.2 -34,-0.1 -2,-0.2 0.390 98.8 101.3-110.9 3.4 24.9 -18.2 -2.7 83 83 A G < - 0 0 0 -4,-1.7 3,-0.3 1,-0.1 -6,-0.2 -0.578 58.3-149.2 -98.5 156.9 21.9 -17.0 -4.5 84 84 A V S S+ 0 0 0 -8,-1.9 2,-0.9 -7,-0.5 -6,-0.2 0.911 100.9 37.3 -79.6 -50.0 19.2 -18.5 -6.7 85 85 A A S > S- 0 0 0 -8,-2.9 3,-1.6 -9,-0.2 -1,-0.3 -0.794 74.6-175.9-108.1 87.0 18.6 -15.5 -9.0 86 86 A K T 3 S+ 0 0 17 -2,-0.9 -56,-0.1 -3,-0.3 -1,-0.1 0.533 78.2 41.0 -63.3 -11.1 22.1 -14.2 -9.3 87 87 A K T 3 S+ 0 0 88 -58,-2.6 -55,-0.4 2,-0.1 -1,-0.3 0.253 84.9 118.5-119.1 12.7 21.2 -11.1 -11.4 88 88 A T < - 0 0 0 -3,-1.6 2,-0.5 -59,-0.3 -54,-0.2 -0.293 66.9-112.3 -82.0 166.1 18.0 -9.9 -9.7 89 89 A Q E -c 34 0B 58 -56,-1.9 -54,-2.7 -59,-0.3 2,-0.4 -0.851 31.2-150.8 -97.8 130.9 17.7 -6.5 -8.0 90 90 A L E -cd 35 53B 0 -38,-2.9 -36,-1.6 -2,-0.5 2,-0.4 -0.882 11.0-169.7-109.7 136.0 17.4 -6.6 -4.2 91 91 A F E -cd 36 54B 8 -56,-2.4 -54,-3.1 -2,-0.4 2,-0.4 -0.987 12.8-146.1-123.8 127.2 15.6 -4.0 -2.1 92 92 A G E -cd 37 55B 0 -38,-2.4 -36,-2.5 -2,-0.4 -35,-1.3 -0.785 13.7-175.6-100.1 134.2 15.9 -4.0 1.7 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-1.5 -2,-0.4 2,-1.1 -0.963 18.4-147.7-124.9 108.0 13.2 -3.0 4.0 94 94 A K E +cd 39 58B 4 -37,-2.8 -35,-1.6 -2,-0.5 -54,-0.2 -0.672 40.4 145.7 -82.3 100.9 14.3 -3.0 7.7 95 95 A V + 0 0 0 -56,-2.1 2,-0.4 -2,-1.1 8,-0.2 0.495 58.8 65.6-110.4 -10.7 11.2 -3.9 9.7 96 96 A L S S- 0 0 4 -57,-1.7 6,-0.3 -3,-0.2 -37,-0.1 -0.898 80.7-125.7-114.8 142.9 13.2 -5.9 12.4 97 97 A D > - 0 0 45 4,-3.9 3,-2.1 -2,-0.4 -2,-0.1 -0.114 42.9 -84.7 -76.5-178.7 15.6 -4.4 14.9 98 98 A D T 3 S+ 0 0 71 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.426 128.6 59.1 -71.4 4.8 19.2 -5.6 15.3 99 99 A N T 3 S- 0 0 125 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.380 121.5-105.0-107.9 -0.8 18.0 -8.3 17.7 100 100 A G S < S+ 0 0 0 -3,-2.1 2,-0.3 1,-0.3 183,-0.2 0.615 81.6 128.6 86.6 14.6 15.7 -9.8 15.1 101 101 A S + 0 0 42 180,-0.1 -4,-3.9 181,-0.1 -1,-0.3 -0.693 27.5 163.4-105.5 155.3 12.6 -8.3 16.7 102 102 A G - 0 0 18 -6,-0.3 2,-0.2 -2,-0.3 -6,-0.1 -0.949 33.6-116.0-166.8 145.5 9.8 -6.2 15.4 103 103 A Q > - 0 0 144 -2,-0.3 4,-2.1 -8,-0.2 3,-0.5 -0.591 30.6-117.8 -85.5 150.4 6.3 -5.2 16.4 104 104 A Y H > S+ 0 0 64 1,-0.2 4,-2.3 -2,-0.2 5,-0.2 0.850 113.6 56.1 -55.0 -37.4 3.3 -6.3 14.3 105 105 A S H > S+ 0 0 73 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.889 108.2 47.9 -64.5 -37.8 2.4 -2.7 13.4 106 106 A T H > S+ 0 0 30 -3,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.913 111.1 50.1 -69.3 -40.1 5.9 -2.1 12.0 107 107 A I H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -2,-0.2 0.890 111.5 48.7 -63.4 -41.0 5.8 -5.3 9.9 108 108 A I H X S+ 0 0 31 -4,-2.3 4,-2.1 1,-0.2 5,-0.2 0.900 109.7 52.1 -66.8 -40.7 2.4 -4.4 8.5 109 109 A A H X S+ 0 0 38 -4,-2.0 4,-1.9 1,-0.2 -1,-0.2 0.880 107.2 54.1 -62.7 -37.3 3.7 -0.9 7.6 110 110 A G H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -1,-0.2 0.883 107.6 49.6 -64.4 -38.7 6.6 -2.5 5.9 111 111 A M H X S+ 0 0 0 -4,-1.7 4,-1.9 1,-0.2 -2,-0.2 0.905 111.1 47.6 -67.8 -42.4 4.3 -4.6 3.7 112 112 A D H X S+ 0 0 61 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.846 107.8 58.4 -67.6 -31.4 2.1 -1.7 2.7 113 113 A F H X S+ 0 0 46 -4,-1.9 4,-3.5 -5,-0.2 3,-0.3 0.943 106.3 47.1 -61.2 -48.2 5.3 0.3 1.9 114 114 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.894 105.8 59.1 -60.6 -40.9 6.4 -2.4 -0.6 115 115 A A H < S+ 0 0 18 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.880 118.3 31.3 -55.9 -39.2 2.9 -2.5 -2.2 116 116 A S H >< S+ 0 0 76 -4,-1.5 3,-1.6 -3,-0.3 -2,-0.2 0.894 115.0 56.9 -85.4 -46.7 3.3 1.2 -3.0 117 117 A D H >< S+ 0 0 6 -4,-3.5 3,-2.9 1,-0.3 4,-0.4 0.815 91.0 71.4 -56.7 -36.2 7.0 1.6 -3.5 118 118 A K G >< S+ 0 0 33 -4,-2.1 3,-0.9 1,-0.3 -1,-0.3 0.747 89.0 65.7 -55.5 -21.6 7.2 -1.1 -6.3 119 119 A N G < S+ 0 0 115 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.648 98.1 52.5 -75.6 -13.7 5.4 1.5 -8.5 120 120 A N G < S+ 0 0 122 -3,-2.9 2,-0.3 -4,-0.2 -1,-0.2 0.420 100.9 80.3 -97.8 -3.4 8.5 3.8 -8.3 121 121 A R S < S- 0 0 80 -3,-0.9 2,-0.9 -4,-0.4 -87,-0.0 -0.698 78.5-123.5-108.8 160.9 10.9 1.0 -9.5 122 122 A N + 0 0 152 -2,-0.3 3,-0.1 1,-0.1 -90,-0.1 -0.849 48.0 145.4-103.9 97.1 11.8 -0.5 -12.8 123 123 A a > + 0 0 21 -2,-0.9 3,-1.7 -5,-0.2 -89,-0.2 -0.649 14.2 171.8-132.1 70.8 11.1 -4.2 -12.5 124 124 A P T 3 S+ 0 0 96 0, 0.0 -91,-0.2 0, 0.0 -1,-0.1 0.789 78.9 49.9 -53.8 -29.6 9.9 -5.1 -16.0 125 125 A K T 3 S- 0 0 104 -93,-2.8 -92,-0.2 1,-0.3 2,-0.1 0.545 120.2 -89.4 -89.6 -6.8 9.9 -8.9 -15.1 126 126 A G E < -b 33 0B 17 -3,-1.7 -92,-2.4 -94,-0.5 2,-0.4 -0.457 34.5 -87.9 122.6 165.4 8.0 -8.6 -11.9 127 127 A V E -be 34 153B 12 25,-0.5 27,-2.6 -94,-0.2 2,-0.3 -0.928 29.0-174.6-121.7 140.1 8.2 -8.1 -8.2 128 128 A V E -be 35 154B 0 -94,-2.6 -92,-3.1 -2,-0.4 2,-0.4 -0.915 9.3-156.3-128.0 152.3 8.7 -10.5 -5.3 129 129 A A E -be 36 155B 0 25,-2.9 27,-2.6 -2,-0.3 2,-0.6 -0.998 5.9-158.7-132.5 127.2 8.7 -10.0 -1.5 130 130 A S E -be 37 156B 0 -94,-3.1 -92,-1.8 -2,-0.4 2,-0.6 -0.934 7.3-174.2-110.6 119.5 10.5 -12.4 0.8 131 131 A L E + e 0 157B 0 25,-3.0 27,-1.9 -2,-0.6 2,-1.3 -0.816 9.8 174.9-120.4 92.5 9.3 -12.5 4.5 132 132 A S + 0 0 2 -2,-0.6 2,-0.3 -94,-0.3 152,-0.2 -0.576 58.3 76.0 -89.1 64.1 11.5 -14.7 6.7 133 133 A L + 0 0 4 -2,-1.3 25,-0.4 25,-0.1 2,-0.3 -0.953 45.4 142.5-162.7 173.4 9.6 -13.7 9.9 134 134 A G - 0 0 3 -2,-0.3 2,-0.2 37,-0.1 149,-0.1 -0.894 15.1-168.6 160.4 171.2 6.4 -14.3 11.8 135 135 A G E -K 170 0C 1 35,-2.3 35,-2.0 -2,-0.3 37,-0.2 -0.771 51.6 -23.2-159.8-157.6 4.8 -14.8 15.2 136 136 A G E S-K 169 0C 43 -2,-0.2 33,-0.3 33,-0.2 -1,-0.2 -0.214 87.4 -68.9 -63.3 157.4 1.5 -15.8 16.7 137 137 A Y + 0 0 138 31,-1.6 2,-0.3 32,-0.1 -1,-0.2 -0.100 57.1 169.1 -50.5 142.4 -1.7 -15.6 14.6 138 138 A S > - 0 0 25 -3,-0.1 4,-2.2 31,-0.1 5,-0.2 -0.891 30.8-153.2-161.2 120.3 -2.9 -12.1 13.8 139 139 A S H > S+ 0 0 76 -2,-0.3 4,-2.0 1,-0.2 5,-0.1 0.772 99.3 56.5 -74.5 -24.7 -5.7 -11.4 11.3 140 140 A S H > S+ 0 0 68 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.862 109.0 43.8 -73.5 -37.6 -4.1 -7.9 10.7 141 141 A V H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.926 114.6 49.8 -72.6 -43.6 -0.7 -9.3 9.7 142 142 A N H X S+ 0 0 9 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.917 110.8 51.2 -57.4 -44.4 -2.4 -12.0 7.5 143 143 A S H X S+ 0 0 50 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.848 106.4 53.0 -63.4 -37.0 -4.5 -9.2 6.0 144 144 A A H X S+ 0 0 0 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.879 109.6 49.8 -66.8 -36.8 -1.4 -7.1 5.2 145 145 A A H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.893 109.1 51.4 -68.3 -39.9 0.2 -10.1 3.5 146 146 A A H X S+ 0 0 26 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.874 109.0 51.5 -65.1 -36.8 -2.9 -10.6 1.4 147 147 A R H X S+ 0 0 101 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.933 109.3 49.1 -65.2 -46.9 -3.0 -7.0 0.3 148 148 A L H <>S+ 0 0 0 -4,-2.0 5,-1.3 2,-0.2 4,-0.3 0.927 113.9 45.9 -58.6 -45.9 0.7 -7.1 -0.8 149 149 A Q H ><5S+ 0 0 29 -4,-2.2 3,-1.4 1,-0.2 4,-0.3 0.922 112.9 51.4 -62.4 -43.9 0.0 -10.3 -2.8 150 150 A S H 3<5S+ 0 0 104 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.801 99.1 63.8 -63.5 -32.5 -3.1 -8.7 -4.2 151 151 A S T 3<5S- 0 0 46 -4,-2.2 -1,-0.3 -5,-0.1 -2,-0.2 0.538 129.7 -89.7 -72.7 -4.1 -1.3 -5.6 -5.3 152 152 A G T < 5S+ 0 0 39 -3,-1.4 -25,-0.5 1,-0.3 2,-0.4 0.711 86.4 125.8 105.1 24.5 0.7 -7.7 -7.7 153 153 A V E < -e 127 0B 0 -5,-1.3 2,-0.8 -4,-0.3 -1,-0.3 -0.941 62.0-122.8-115.9 134.2 3.8 -8.9 -5.7 154 154 A M E -e 128 0B 1 -27,-2.6 -25,-2.9 -2,-0.4 2,-0.6 -0.681 33.6-156.1 -77.7 111.8 4.7 -12.5 -5.3 155 155 A V E -e 129 0B 0 -2,-0.8 23,-2.7 -27,-0.2 2,-0.5 -0.820 15.2-178.2 -98.9 119.5 4.7 -13.0 -1.5 156 156 A A E -ef 130 178B 0 -27,-2.6 -25,-3.0 -2,-0.6 2,-0.3 -0.954 8.3-178.8-115.1 129.4 6.7 -15.8 0.0 157 157 A V E -ef 131 179B 0 21,-3.0 23,-3.1 -2,-0.5 -25,-0.2 -0.953 29.6-106.7-132.2 150.7 6.7 -16.3 3.8 158 158 A A E - f 0 180B 0 -27,-1.9 14,-0.2 -25,-0.4 23,-0.2 -0.452 17.9-141.2 -73.6 141.9 8.3 -18.7 6.3 159 159 A A - 0 0 0 21,-2.2 -1,-0.1 1,-0.2 22,-0.1 0.815 52.2-109.2 -71.5 -30.1 6.2 -21.4 7.8 160 160 A G - 0 0 1 20,-0.3 34,-2.1 34,-0.1 3,-0.3 -0.225 12.1-104.1 114.0 154.6 7.8 -21.0 11.2 161 161 A N S S+ 0 0 39 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.220 84.3 101.1-109.5 44.7 10.3 -23.0 13.3 162 162 A N S S- 0 0 68 2,-0.2 31,-0.2 -3,-0.1 -1,-0.2 0.373 83.2-125.3-107.6 4.8 8.0 -24.5 16.0 163 163 A N S S+ 0 0 78 29,-2.3 2,-0.2 -3,-0.3 31,-0.2 0.933 78.4 107.1 48.8 47.1 7.5 -28.0 14.6 164 164 A A S S- 0 0 30 28,-0.2 31,-2.2 -4,-0.1 2,-0.4 -0.813 84.6 -65.3-141.1 179.2 3.8 -27.3 14.8 165 165 A D B > -l 195 0D 36 -2,-0.2 3,-1.5 29,-0.2 31,-0.2 -0.609 39.6-139.4 -75.4 124.8 0.8 -26.6 12.5 166 166 A A G > S+ 0 0 0 29,-2.8 3,-1.7 -2,-0.4 -1,-0.1 0.488 85.9 93.0 -65.6 1.6 1.4 -23.2 10.8 167 167 A R G 3 S+ 0 0 144 1,-0.3 -1,-0.2 28,-0.3 6,-0.1 0.799 82.3 54.4 -65.2 -27.5 -2.3 -22.4 11.3 168 168 A N G < S+ 0 0 103 -3,-1.5 -31,-1.6 -31,-0.1 2,-0.3 0.179 101.3 74.5 -92.0 15.1 -1.4 -20.7 14.4 169 169 A Y E <> S-K 136 0C 50 -3,-1.7 4,-2.6 -33,-0.3 -33,-0.2 -0.956 72.8-105.0-132.6 150.0 1.2 -18.4 12.9 170 170 A S E 4 S+K 135 0C 0 -35,-2.0 -35,-2.3 -2,-0.3 -31,-0.1 -0.958 91.1 1.8-130.7 148.7 1.2 -15.2 10.7 171 171 A P T >4 S+ 0 0 1 0, 0.0 3,-2.2 0, 0.0 -1,-0.2 -0.983 123.0 70.5 -83.0 12.2 1.7 -14.4 8.1 172 172 A A T 34 S+ 0 0 2 1,-0.3 -2,-0.3 -14,-0.2 7,-0.1 0.846 96.6 55.7 -49.9 -38.6 2.4 -18.1 7.5 173 173 A S T 3< S+ 0 0 13 -4,-2.6 -1,-0.3 -7,-0.1 -3,-0.1 0.458 75.0 111.1 -79.3 -1.3 -1.4 -18.8 7.9 174 174 A E X - 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