==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-APR-03 1OYO . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR N.SINGH,S.SHARMA,S.KUMAR,G.RAMAN,T.P.SINGH . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10218.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 66.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 14.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 6.1 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 1.1 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 . 23 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 31 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 20.4 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 0 1 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 2 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 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 33 0, 0.0 24,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 161.2 56.5 59.0 10.2 2 2 A A E -A 24 0A 58 22,-0.2 2,-0.7 2,-0.0 22,-0.2 -0.987 360.0-153.1-146.6 133.2 58.5 60.4 13.1 3 3 A Q E > -A 23 0A 29 20,-2.7 20,-2.9 -2,-0.4 3,-0.6 -0.926 25.0-147.4-105.2 113.5 57.6 61.9 16.4 4 4 A T T 3 S+ 0 0 101 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.516 77.8 12.7 -80.9 146.0 60.4 64.3 17.4 5 5 A N T 3 S+ 0 0 132 -2,-0.2 -1,-0.2 16,-0.1 17,-0.2 0.909 91.4 173.2 52.6 46.1 61.3 64.7 21.2 6 6 A A < - 0 0 9 15,-2.9 -1,-0.1 -3,-0.6 76,-0.1 -0.334 44.7 -78.9 -79.4 163.3 59.1 61.6 21.9 7 7 A P >> - 0 0 25 0, 0.0 4,-1.9 0, 0.0 3,-0.9 -0.374 50.5-111.4 -59.1 145.3 59.0 60.0 25.4 8 8 A W H 3> S+ 0 0 50 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.847 114.8 57.8 -49.7 -40.7 62.1 57.9 25.8 9 9 A G H 3> S+ 0 0 2 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.861 106.3 47.4 -60.0 -39.6 60.2 54.6 25.7 10 10 A L H <> S+ 0 0 2 -3,-0.9 4,-0.7 2,-0.2 -1,-0.2 0.911 113.1 48.7 -69.5 -41.4 58.7 55.3 22.3 11 11 A A H >< S+ 0 0 0 -4,-1.9 3,-0.9 1,-0.2 -2,-0.2 0.901 109.1 54.7 -63.7 -38.6 62.0 56.3 20.9 12 12 A R H >< S+ 0 0 4 -4,-2.6 3,-1.5 1,-0.2 -1,-0.2 0.886 101.8 56.6 -62.0 -42.0 63.6 53.2 22.3 13 13 A I H 3< S+ 0 0 0 -4,-1.7 262,-3.3 1,-0.3 263,-0.4 0.650 112.5 41.0 -65.5 -19.0 61.1 50.8 20.6 14 14 A S T << S+ 0 0 8 -3,-0.9 2,-0.3 -4,-0.7 -1,-0.3 0.081 108.6 81.3-115.3 19.8 62.0 52.2 17.2 15 15 A S < - 0 0 13 -3,-1.5 261,-0.1 1,-0.1 242,-0.1 -0.903 62.1-153.1-128.3 157.9 65.7 52.3 17.9 16 16 A T S S+ 0 0 89 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.1 0.468 89.1 43.7-103.0 -7.2 68.5 49.9 17.9 17 17 A S S S- 0 0 54 -5,-0.0 3,-0.5 0, 0.0 -1,-0.1 -0.971 85.3-115.1-138.2 149.3 70.4 52.0 20.5 18 18 A P S S+ 0 0 57 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.274 88.7 51.2 -76.7 170.0 69.3 53.8 23.7 19 19 A G S S+ 0 0 82 166,-0.4 2,-0.2 1,-0.3 167,-0.0 0.553 73.5 122.8 82.7 6.4 69.5 57.5 24.0 20 20 A T - 0 0 52 -3,-0.5 -1,-0.3 -12,-0.1 -9,-0.1 -0.590 44.3-159.3 -95.3 165.8 67.6 58.6 20.9 21 21 A S + 0 0 59 -2,-0.2 -15,-2.9 -10,-0.1 2,-0.4 0.279 58.1 90.9-130.9 12.4 64.5 60.8 21.1 22 22 A T - 0 0 27 -17,-0.2 2,-0.7 -18,-0.2 -18,-0.2 -0.923 60.5-147.0-111.6 136.0 62.6 60.4 17.9 23 23 A Y E -A 3 0A 0 -20,-2.9 -20,-2.7 -2,-0.4 2,-0.5 -0.897 15.6-164.4-101.9 112.0 59.9 57.8 17.5 24 24 A Y E +A 2 0A 106 -2,-0.7 2,-0.3 -22,-0.2 -22,-0.2 -0.856 22.6 149.9 -99.2 130.1 59.8 56.4 14.0 25 25 A Y - 0 0 37 -24,-2.0 2,-0.3 -2,-0.5 60,-0.0 -0.972 49.6 -88.7-153.2 164.1 56.7 54.5 13.0 26 26 A D > - 0 0 51 -2,-0.3 3,-2.3 1,-0.1 4,-0.1 -0.609 36.0-127.1 -78.5 135.2 54.5 53.6 10.1 27 27 A E T 3 S+ 0 0 98 -2,-0.3 -1,-0.1 1,-0.3 -25,-0.0 0.693 103.0 77.6 -55.5 -22.3 51.7 56.1 9.5 28 28 A S T > S- 0 0 25 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.847 77.1-174.5 -56.6 -30.9 49.1 53.3 9.6 29 29 A A T < - 0 0 1 -3,-2.3 58,-2.6 1,-0.3 59,-0.3 0.713 62.2 -57.1 41.4 39.4 49.7 53.5 13.3 30 30 A G T > S+ 0 0 0 206,-0.4 3,-1.7 1,-0.2 59,-0.3 0.611 84.4 161.0 76.9 10.2 47.5 50.6 14.3 31 31 A Q T < + 0 0 103 -3,-2.4 -1,-0.2 1,-0.2 57,-0.2 -0.399 63.7 32.9 -67.1 144.0 44.3 51.8 12.8 32 32 A G T 3 S+ 0 0 32 55,-0.4 93,-2.5 1,-0.4 94,-0.6 0.216 102.1 95.5 96.5 -16.3 41.7 49.0 12.3 33 33 A S E < -b 126 0B 1 -3,-1.7 56,-1.7 92,-0.2 -1,-0.4 -0.625 62.4-143.7-102.7 166.2 42.9 47.1 15.4 34 34 A a E -bc 127 89B 3 92,-2.3 94,-2.7 -2,-0.2 2,-0.5 -0.992 6.9-162.3-133.7 140.5 41.5 47.3 18.9 35 35 A V E -bc 128 90B 0 54,-2.7 56,-2.2 -2,-0.4 2,-0.5 -0.982 8.0-153.2-125.6 122.7 43.1 47.1 22.3 36 36 A Y E -bc 129 91B 0 92,-3.1 94,-3.1 -2,-0.5 2,-0.7 -0.825 7.4-156.5 -92.6 125.2 41.2 46.3 25.5 37 37 A V E -bc 130 92B 1 54,-2.8 56,-2.3 -2,-0.5 2,-0.9 -0.925 4.7-164.4-104.9 111.1 42.7 47.9 28.6 38 38 A I E + c 0 93B 0 92,-1.9 94,-0.4 -2,-0.7 56,-0.2 -0.842 50.9 90.1 -98.2 98.1 41.6 45.8 31.6 39 39 A D E S- c 0 94B 0 54,-1.6 57,-2.1 -2,-0.9 56,-1.7 -0.463 95.5 -36.1-155.4-137.5 42.5 48.1 34.5 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.379 97.5 -92.5 -88.3 3.8 41.0 50.9 36.6 41 41 A G - 0 0 0 52,-0.4 -1,-0.4 24,-0.1 2,-0.4 -0.548 40.5 -92.4 110.9-179.7 39.1 52.3 33.6 42 42 A I - 0 0 3 21,-0.5 2,-2.0 -2,-0.2 23,-0.2 -1.000 17.7-128.8-137.4 135.9 40.0 55.0 31.1 43 43 A E > - 0 0 40 -2,-0.4 3,-2.3 1,-0.2 6,-0.2 -0.603 33.0-177.5 -82.2 82.4 39.3 58.7 31.1 44 44 A A T 3 S+ 0 0 34 -2,-2.0 7,-0.4 1,-0.3 9,-0.4 0.728 72.4 65.7 -53.7 -27.6 37.9 58.5 27.6 45 45 A S T 3 S+ 0 0 103 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.532 71.1 121.8 -75.8 -7.2 37.3 62.3 27.5 46 46 A H X - 0 0 9 -3,-2.3 3,-2.3 1,-0.1 5,-0.4 -0.400 67.7-133.0 -61.8 128.9 41.0 63.0 27.6 47 47 A P G > S+ 0 0 90 0, 0.0 3,-1.4 0, 0.0 -1,-0.1 0.782 102.0 69.5 -50.2 -34.9 42.0 65.1 24.5 48 48 A E G 3 S+ 0 0 14 1,-0.3 32,-2.6 2,-0.1 34,-0.1 0.666 94.7 55.2 -62.1 -17.9 45.0 62.8 23.9 49 49 A F G X S- 0 0 0 -3,-2.3 3,-2.9 30,-0.2 -1,-0.3 0.601 91.0-150.5 -91.7 -13.4 42.6 60.0 22.9 50 50 A E T < - 0 0 102 -3,-1.4 -2,-0.1 -4,-0.4 -5,-0.1 0.768 68.5 -57.3 50.6 30.7 40.9 62.1 20.2 51 51 A G T 3 S+ 0 0 70 -5,-0.4 -1,-0.3 -7,-0.4 -6,-0.1 0.573 114.6 114.5 79.7 8.1 37.6 60.2 20.8 52 52 A R < + 0 0 34 -3,-2.9 38,-3.0 26,-0.1 2,-0.3 0.365 61.0 77.2 -91.3 4.4 39.2 56.8 20.0 53 53 A A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.876 53.5 168.9-117.0 147.7 38.7 55.6 23.6 54 54 A Q E -d 91 0B 82 36,-1.7 38,-2.6 -2,-0.3 2,-0.3 -0.960 34.5-119.1-159.1 140.7 35.5 54.3 25.2 55 55 A M E +d 92 0B 42 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.605 30.4 172.5 -76.8 137.4 34.4 52.5 28.4 56 56 A V E + 0 0 27 36,-2.9 2,-0.3 1,-0.3 37,-0.2 0.551 60.1 8.3-122.9 -16.2 32.8 49.2 27.6 57 57 A K E -d 93 0B 76 35,-1.3 37,-3.1 6,-0.1 -1,-0.3 -0.904 52.7-168.9-170.4 135.7 32.3 47.6 30.9 58 58 A T E -d 94 0B 37 -2,-0.3 37,-0.1 35,-0.2 5,-0.1 -0.910 14.8-164.7-124.7 156.5 32.6 48.2 34.7 59 59 A Y S S+ 0 0 71 35,-1.3 2,-0.2 -2,-0.3 36,-0.1 0.236 77.1 56.9-118.2 8.6 32.4 45.9 37.7 60 60 A Y S S- 0 0 65 2,-0.3 -2,-0.1 34,-0.2 34,-0.1 -0.567 105.8 -75.6-125.5-170.8 31.9 48.8 40.1 61 61 A Y S S+ 0 0 237 -2,-0.2 2,-0.3 2,-0.0 -3,-0.0 0.824 112.8 19.8 -59.3 -36.5 29.4 51.7 40.7 62 62 A S - 0 0 47 2,-0.2 -2,-0.3 1,-0.0 -3,-0.2 -0.908 63.8-137.3-133.2 161.5 30.9 53.8 37.9 63 63 A S + 0 0 47 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.390 69.3 114.0 -97.7 1.9 32.9 53.2 34.8 64 64 A R S S- 0 0 100 -23,-0.1 2,-1.0 1,-0.1 -2,-0.2 -0.396 73.6-117.3 -77.0 148.5 35.1 56.3 35.4 65 65 A D + 0 0 8 1,-0.2 -24,-0.1 -23,-0.2 -1,-0.1 -0.775 38.2 167.6 -86.0 104.4 38.8 56.0 36.2 66 66 A G S S+ 0 0 36 -2,-1.0 -1,-0.2 -26,-0.4 -25,-0.1 0.329 74.3 49.4 -97.9 6.7 39.1 57.5 39.7 67 67 A N S S- 0 0 43 -27,-0.2 146,-0.1 -3,-0.0 31,-0.1 0.816 88.5-138.8-108.1 -55.7 42.6 56.2 40.0 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.3 -27,-0.1 5,-0.2 0.001 75.5 100.5 117.2 -28.2 44.6 57.1 36.9 69 69 A H H > S+ 0 0 38 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.925 85.3 46.2 -55.6 -50.6 46.5 53.9 36.4 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.883 112.1 50.8 -62.0 -39.8 44.2 52.6 33.6 71 71 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 140,-0.3 0.882 110.2 51.1 -65.6 -36.6 44.3 56.0 31.9 72 72 A H H X S+ 0 0 0 -4,-2.3 4,-1.5 2,-0.2 139,-0.4 0.951 111.5 46.0 -65.8 -49.2 48.1 56.0 32.0 73 73 A C H X S+ 0 0 1 -4,-2.5 4,-1.7 1,-0.2 3,-0.3 0.910 111.5 51.8 -60.4 -44.5 48.3 52.5 30.5 74 74 A A H X S+ 0 0 0 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.875 105.8 56.3 -60.3 -38.5 45.8 53.3 27.8 75 75 A G H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.868 105.4 50.3 -62.2 -37.3 47.8 56.4 26.9 76 76 A T H < S+ 0 0 1 -4,-1.5 8,-2.2 -3,-0.3 -1,-0.2 0.852 111.2 51.0 -70.2 -33.3 50.9 54.3 26.3 77 77 A V H < S- 0 0 0 -4,-1.7 8,-2.9 6,-0.2 7,-0.3 0.980 138.3 -18.9 -68.0 -56.7 49.0 52.0 24.1 78 78 A G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.140 81.8 132.5-149.5 37.0 47.4 54.6 21.8 79 79 A S X - 0 0 0 -4,-2.3 4,-1.4 -5,-0.2 -30,-0.2 -0.505 63.5-112.6 -79.9 161.4 47.2 58.3 22.9 80 80 A R T 4 S+ 0 0 108 -32,-2.6 -1,-0.1 2,-0.2 6,-0.1 0.963 109.3 23.7 -57.9 -54.8 48.4 60.8 20.3 81 81 A T T 4 S+ 0 0 39 1,-0.1 -1,-0.2 -33,-0.1 5,-0.0 0.862 134.9 30.1 -83.5 -36.7 51.5 62.0 22.0 82 82 A Y T 4 S+ 0 0 37 -7,-0.1 2,-0.2 -34,-0.1 -2,-0.2 0.386 97.3 103.7-106.8 3.8 52.4 59.1 24.4 83 83 A G < - 0 0 0 -4,-1.4 3,-0.3 1,-0.1 -6,-0.2 -0.581 56.8-150.9 -98.0 153.3 51.1 56.1 22.5 84 84 A V S S+ 0 0 0 -8,-2.2 2,-0.8 -7,-0.3 -6,-0.2 0.927 100.3 36.6 -76.9 -50.3 52.7 53.4 20.5 85 85 A A S > S- 0 0 0 -8,-2.9 3,-1.4 -9,-0.2 -1,-0.3 -0.811 75.7-175.4-107.9 87.7 49.7 52.7 18.1 86 86 A K T 3 S+ 0 0 13 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.513 77.4 41.3 -65.1 -10.0 48.4 56.3 17.7 87 87 A K T 3 S+ 0 0 91 -58,-2.6 -55,-0.4 2,-0.1 -1,-0.3 0.214 85.8 120.3-122.8 14.7 45.3 55.4 15.6 88 88 A T < - 0 0 1 -3,-1.4 2,-0.5 -59,-0.3 -54,-0.2 -0.302 65.6-113.2 -77.0 163.1 44.1 52.3 17.5 89 89 A Q E -c 34 0B 56 -56,-1.7 -54,-2.7 -59,-0.3 2,-0.5 -0.851 29.8-151.9 -97.9 131.4 40.7 52.0 19.1 90 90 A L E -cd 35 53B 0 -38,-3.0 -36,-1.7 -2,-0.5 2,-0.4 -0.898 11.6-172.5-110.8 132.2 40.7 51.7 22.9 91 91 A F E -cd 36 54B 10 -56,-2.2 -54,-2.8 -2,-0.5 2,-0.4 -0.983 14.2-146.0-121.7 129.6 38.1 49.9 25.0 92 92 A G E -cd 37 55B 0 -38,-2.6 -36,-2.9 -2,-0.4 -35,-1.3 -0.805 14.1-175.4-103.1 136.6 38.1 50.1 28.7 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-1.6 -2,-0.4 2,-1.1 -0.979 17.6-148.1-126.3 113.5 37.1 47.4 31.1 94 94 A K E +cd 39 58B 0 -37,-3.1 -35,-1.3 -2,-0.5 -54,-0.2 -0.718 40.7 143.9 -90.2 99.4 37.1 48.4 34.8 95 95 A V + 0 0 0 -56,-1.7 2,-0.4 -2,-1.1 8,-0.2 0.461 60.9 68.0-107.4 -8.7 38.0 45.4 36.9 96 96 A L S S- 0 0 11 -57,-2.1 6,-0.2 -3,-0.2 -37,-0.1 -0.893 80.0-128.4-112.8 144.4 40.0 47.3 39.4 97 97 A D > - 0 0 39 4,-3.4 3,-2.1 -2,-0.4 -2,-0.1 -0.167 39.9 -86.9 -80.4-178.7 38.6 49.9 41.8 98 98 A D T 3 S+ 0 0 50 1,-0.3 -29,-0.1 2,-0.2 -1,-0.1 0.521 128.5 59.0 -70.4 -2.3 39.8 53.4 42.3 99 99 A N T 3 S- 0 0 146 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.414 121.5-109.6 -98.6 -3.3 42.4 52.3 44.9 100 100 A G S < S+ 0 0 33 -3,-2.1 2,-0.3 1,-0.3 -2,-0.2 0.667 80.4 116.8 85.0 17.8 43.8 50.1 42.1 101 101 A S + 0 0 63 -61,-0.0 -4,-3.4 2,-0.0 -1,-0.3 -0.855 31.4 163.8-120.5 156.5 42.6 46.8 43.6 102 102 A G - 0 0 33 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.1 -0.979 35.4-104.5-160.6 159.2 40.3 44.1 42.6 103 103 A Q >> - 0 0 126 -2,-0.3 4,-1.9 -8,-0.2 3,-0.7 -0.646 31.5-116.7 -92.3 151.8 39.4 40.5 43.4 104 104 A Y H 3> S+ 0 0 72 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.824 111.1 60.0 -52.8 -38.8 40.4 37.6 41.2 105 105 A S H 3> S+ 0 0 66 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 108.7 42.6 -62.2 -39.5 36.8 36.6 40.5 106 106 A T H <> S+ 0 0 16 -3,-0.7 4,-2.2 2,-0.2 -1,-0.2 0.846 112.2 53.5 -78.5 -27.7 36.1 40.0 38.9 107 107 A I H X S+ 0 0 10 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.929 111.1 47.5 -67.4 -41.6 39.4 40.1 37.0 108 108 A I H X S+ 0 0 30 -4,-2.7 4,-2.4 1,-0.2 5,-0.2 0.924 110.1 52.5 -62.9 -43.9 38.5 36.6 35.6 109 109 A A H X S+ 0 0 34 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.900 106.7 53.5 -58.7 -41.6 35.0 37.9 34.7 110 110 A G H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.862 108.7 49.0 -62.5 -36.8 36.5 40.8 32.9 111 111 A M H X S+ 0 0 1 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.919 111.3 47.9 -69.7 -44.0 38.7 38.5 30.8 112 112 A D H X S+ 0 0 70 -4,-2.4 4,-1.4 1,-0.2 -2,-0.2 0.884 109.3 57.1 -61.8 -38.0 35.8 36.2 29.9 113 113 A F H X S+ 0 0 47 -4,-2.4 4,-3.4 -5,-0.2 3,-0.3 0.924 105.5 48.3 -58.7 -47.4 33.9 39.4 29.0 114 114 A V H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -1,-0.2 0.890 105.3 58.1 -61.6 -41.9 36.5 40.6 26.5 115 115 A A H < S+ 0 0 19 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.850 117.7 34.3 -58.0 -34.8 36.6 37.2 24.8 116 116 A S H >< S+ 0 0 73 -4,-1.4 3,-1.7 -3,-0.3 4,-0.2 0.905 114.0 56.5 -85.1 -47.8 32.9 37.5 24.1 117 117 A D H >< S+ 0 0 9 -4,-3.4 3,-2.0 1,-0.3 -2,-0.2 0.763 92.4 68.9 -57.6 -31.7 32.6 41.2 23.5 118 118 A K G >< S+ 0 0 31 -4,-2.1 3,-1.2 1,-0.3 -1,-0.3 0.750 88.1 68.5 -63.5 -19.4 35.2 41.4 20.7 119 119 A N G < S+ 0 0 114 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.672 99.2 48.7 -72.7 -16.7 32.7 39.5 18.6 120 120 A N G < S+ 0 0 122 -3,-2.0 2,-0.3 -4,-0.2 -1,-0.2 0.246 100.8 85.0-104.1 11.4 30.4 42.6 18.6 121 121 A R S < S- 0 0 75 -3,-1.2 2,-1.0 -4,-0.1 -87,-0.0 -0.814 78.1-124.6-113.0 155.5 33.2 45.0 17.6 122 122 A N + 0 0 154 -2,-0.3 -90,-0.1 1,-0.1 -3,-0.1 -0.822 48.5 146.4-100.1 97.8 34.6 46.0 14.3 123 123 A a > + 0 0 20 -2,-1.0 3,-1.1 -5,-0.2 -89,-0.2 -0.662 13.6 170.6-131.6 72.6 38.3 45.3 14.6 124 124 A P T 3 S+ 0 0 86 0, 0.0 -91,-0.2 0, 0.0 -1,-0.1 0.805 77.1 47.2 -55.2 -34.4 39.4 44.1 11.1 125 125 A K T 3 S- 0 0 100 -93,-2.5 -92,-0.2 1,-0.3 2,-0.2 0.578 121.2 -82.6 -87.8 -9.9 43.1 44.2 11.9 126 126 A G E < -b 33 0B 16 -3,-1.1 -92,-2.3 -94,-0.6 2,-0.4 -0.582 34.8 -92.7 131.5 166.2 42.9 42.3 15.2 127 127 A V E -b 34 0B 13 25,-0.4 27,-2.5 -94,-0.2 2,-0.3 -0.966 27.9-174.8-126.0 135.8 42.3 42.4 18.9 128 128 A V E -be 35 154B 0 -94,-2.7 -92,-3.1 -2,-0.4 2,-0.4 -0.920 10.2-155.6-125.8 148.0 44.7 42.9 21.7 129 129 A A E -be 36 155B 0 25,-3.1 27,-2.6 -2,-0.3 2,-0.6 -0.995 7.6-159.0-127.3 126.0 44.2 42.8 25.5 130 130 A S E -be 37 156B 1 -94,-3.1 -92,-1.9 -2,-0.4 2,-0.6 -0.923 8.1-175.6-109.3 120.3 46.6 44.6 27.9 131 131 A L E + e 0 157B 0 25,-3.0 27,-1.9 -2,-0.6 2,-1.5 -0.814 11.2 174.8-120.6 92.5 46.7 43.5 31.5 132 132 A S + 0 0 3 -2,-0.6 2,-0.3 -94,-0.4 92,-0.1 -0.529 58.0 83.8 -92.0 65.1 48.9 45.6 33.7 133 133 A L + 0 0 18 -2,-1.5 25,-0.4 25,-0.1 2,-0.3 -0.955 42.9 139.0-155.2 172.0 47.8 43.7 36.8 134 134 A G - 0 0 57 -2,-0.3 2,-0.2 37,-0.1 3,-0.1 -0.889 14.7-172.1 161.1 168.3 48.6 40.6 38.8 135 135 A G E -K 170 0C 22 35,-3.0 35,-3.1 -2,-0.3 37,-0.2 -0.827 51.8 -24.7-160.3-162.3 49.0 38.9 42.2 136 136 A G E S-K 169 0C 46 33,-0.3 33,-0.3 -2,-0.2 -1,-0.2 -0.170 88.9 -67.0 -59.3 155.1 50.1 35.7 43.8 137 137 A Y + 0 0 130 31,-2.0 2,-0.3 32,-0.1 -1,-0.2 -0.053 57.7 170.1 -46.3 134.9 49.9 32.5 41.8 138 138 A S > - 0 0 22 -3,-0.1 4,-2.0 1,-0.1 5,-0.2 -0.928 27.6-155.8-149.4 122.2 46.3 31.4 40.9 139 139 A S H > S+ 0 0 78 -2,-0.3 4,-2.1 1,-0.2 5,-0.1 0.808 97.4 55.3 -71.9 -25.2 45.6 28.6 38.5 140 140 A S H > S+ 0 0 70 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.843 108.4 47.3 -72.8 -35.7 42.1 30.0 37.8 141 141 A V H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.920 113.1 48.5 -71.6 -41.9 43.5 33.4 36.9 142 142 A N H X S+ 0 0 8 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.916 110.2 53.4 -61.3 -42.7 46.1 31.8 34.6 143 143 A S H X S+ 0 0 54 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.880 106.6 50.7 -60.7 -40.4 43.3 29.7 33.1 144 144 A A H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.860 109.8 51.2 -66.7 -34.9 41.2 32.8 32.3 145 145 A A H X S+ 0 0 0 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.892 109.5 50.0 -68.3 -39.2 44.2 34.4 30.6 146 146 A A H X S+ 0 0 24 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.860 108.8 52.3 -67.7 -36.6 44.8 31.2 28.5 147 147 A R H X S+ 0 0 104 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.919 109.1 49.6 -64.4 -45.3 41.1 31.2 27.4 148 148 A L H <>S+ 0 0 0 -4,-2.0 5,-1.2 2,-0.2 4,-0.3 0.938 112.3 47.6 -59.9 -46.5 41.3 34.8 26.3 149 149 A Q H ><5S+ 0 0 26 -4,-2.1 3,-1.6 1,-0.2 4,-0.5 0.935 112.4 49.0 -60.8 -46.9 44.4 34.1 24.3 150 150 A S H 3<5S+ 0 0 101 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.760 98.9 67.3 -66.8 -23.8 42.9 31.0 22.7 151 151 A S T 3<5S- 0 0 43 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.602 129.2 -91.8 -72.2 -8.4 39.7 32.9 21.8 152 152 A G T < 5S+ 0 0 38 -3,-1.6 -25,-0.4 1,-0.3 2,-0.4 0.719 85.8 126.1 106.4 26.8 41.9 34.9 19.4 153 153 A V < - 0 0 0 -5,-1.2 2,-0.9 -4,-0.5 -1,-0.3 -0.926 61.8-123.1-115.9 138.8 43.1 37.9 21.4 154 154 A M E -e 128 0B 1 -27,-2.5 -25,-3.1 -2,-0.4 2,-0.6 -0.736 33.6-157.6 -81.9 109.8 46.7 38.9 21.8 155 155 A V E -e 129 0B 0 -2,-0.9 23,-2.7 -27,-0.2 2,-0.5 -0.808 14.2-177.8 -96.7 122.8 47.2 38.9 25.6 156 156 A A E -ef 130 178B 0 -27,-2.6 -25,-3.0 -2,-0.6 2,-0.3 -0.976 8.4-177.8-117.8 127.1 50.0 40.9 27.1 157 157 A V E -ef 131 179B 0 21,-2.7 23,-2.9 -2,-0.5 -25,-0.2 -0.938 29.7-106.0-128.2 150.8 50.5 40.8 30.9 158 158 A A E - f 0 180B 6 -27,-1.9 14,-0.2 -25,-0.4 23,-0.2 -0.460 18.9-140.4 -72.2 141.1 52.9 42.5 33.4 159 159 A A - 0 0 0 21,-2.5 22,-0.1 1,-0.2 -1,-0.1 0.803 52.1-108.9 -70.7 -28.8 55.6 40.3 34.8 160 160 A G - 0 0 17 20,-0.3 34,-2.1 34,-0.1 3,-0.3 -0.244 12.5-106.0 114.3 156.4 55.2 41.9 38.2 161 161 A N S S+ 0 0 74 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.217 83.0 101.7-112.9 44.1 57.2 44.4 40.4 162 162 A N S S- 0 0 83 2,-0.2 31,-0.2 0, 0.0 -1,-0.2 0.325 84.3-123.8-107.5 7.0 58.6 42.1 43.1 163 163 A N S S+ 0 0 79 29,-2.4 2,-0.2 -3,-0.3 31,-0.2 0.938 78.9 110.5 48.2 46.6 62.2 41.7 41.7 164 164 A A S S- 0 0 25 28,-0.3 31,-2.3 -4,-0.1 2,-0.5 -0.806 83.4 -66.7-139.3 178.3 61.4 38.0 41.9 165 165 A D B > -l 195 0D 43 -2,-0.2 3,-1.4 29,-0.2 31,-0.2 -0.611 40.9-140.6 -74.2 122.3 60.8 35.0 39.6 166 166 A A G > S+ 0 0 0 29,-3.1 3,-1.8 -2,-0.5 7,-0.2 0.539 85.3 91.7 -61.4 -7.1 57.5 35.7 37.9 167 167 A R G 3 S+ 0 0 156 1,-0.3 -1,-0.3 28,-0.3 29,-0.1 0.666 84.5 52.5 -62.6 -19.3 56.5 32.0 38.2 168 168 A N G < S+ 0 0 99 -3,-1.4 -31,-2.0 -31,-0.1 2,-0.5 0.190 96.3 86.0-101.9 13.0 54.8 32.7 41.5 169 169 A Y E <> S-K 136 0C 55 -3,-1.8 4,-2.2 -33,-0.3 -33,-0.3 -0.966 74.5-126.3-121.4 131.1 52.7 35.5 40.1 170 170 A S E 4 S+K 135 0C 0 -35,-3.1 -35,-3.0 -2,-0.5 -31,-0.1 -0.831 90.7 22.6-101.8 135.8 49.5 35.2 38.5 171 171 A P T >4 S+ 0 0 1 0, 0.0 3,-1.1 0, 0.0 -1,-0.2 -0.902 123.5 59.5 122.4 -39.5 48.7 36.6 35.1 172 172 A A T 34 S+ 0 0 3 -14,-0.2 -2,-0.2 1,-0.2 7,-0.1 0.804 95.4 56.9 -59.3 -42.9 52.4 36.5 34.5 173 173 A S T 3< S+ 0 0 13 -4,-2.2 -1,-0.2 -7,-0.2 -3,-0.1 0.506 74.5 109.6 -77.2 -2.9 53.0 32.7 35.0 174 174 A E X - 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