==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-FEB-06 2G4V . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR C.MUELLER-DIECKMANN,M.S.WEISS . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10467.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 187 67.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 15.1 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 . 21 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 30 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 21.5 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 0 1 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 2 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 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 49 0, 0.0 24,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 160.9 21.3 24.6 7.8 2 2 A A E -A 24 0A 63 22,-0.2 2,-0.7 277,-0.0 22,-0.2 -0.995 360.0-164.2-140.5 125.9 23.5 26.4 10.4 3 3 A Q E > -A 23 0A 31 20,-2.7 20,-2.6 -2,-0.4 3,-0.6 -0.934 21.8-147.7-111.4 110.2 22.5 27.9 13.7 4 4 A T T 3 S+ 0 0 99 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.376 75.6 16.4 -76.8 153.3 25.3 30.1 14.9 5 5 A N T 3 S+ 0 0 141 1,-0.1 -1,-0.2 16,-0.1 17,-0.2 0.877 89.4 170.0 55.1 40.7 26.1 30.6 18.7 6 6 A A < - 0 0 9 15,-2.8 -1,-0.1 -3,-0.6 76,-0.1 -0.375 47.7 -78.1 -72.9 161.3 24.0 27.5 19.4 7 7 A P >> - 0 0 19 0, 0.0 4,-2.0 0, 0.0 3,-0.7 -0.320 49.7-114.4 -52.4 139.7 24.0 25.8 22.9 8 8 A W H 3> S+ 0 0 22 1,-0.2 4,-2.4 199,-0.2 12,-0.2 0.868 114.1 57.9 -47.7 -42.3 27.3 23.8 23.2 9 9 A G H 3> S+ 0 0 1 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.853 105.8 48.4 -58.8 -43.0 25.4 20.4 23.2 10 10 A L H <> S+ 0 0 0 -3,-0.7 4,-0.9 1,-0.2 14,-0.3 0.935 113.7 46.7 -64.8 -48.7 23.7 21.1 19.9 11 11 A A H < S+ 0 0 0 -4,-2.0 3,-0.5 1,-0.2 -2,-0.2 0.873 110.8 53.3 -59.1 -38.3 27.0 22.1 18.3 12 12 A R H >< S+ 0 0 4 -4,-2.4 3,-1.4 -5,-0.2 -1,-0.2 0.874 102.7 57.7 -63.6 -39.3 28.6 19.0 19.8 13 13 A I H 3< S+ 0 0 0 -4,-1.7 262,-3.2 1,-0.3 263,-0.4 0.690 112.4 41.1 -64.9 -22.8 25.9 16.6 18.3 14 14 A S T 3< S+ 0 0 8 -4,-0.9 2,-0.3 -3,-0.5 -1,-0.3 0.148 106.4 85.7-111.4 18.4 26.8 17.9 14.8 15 15 A S < - 0 0 13 -3,-1.4 242,-0.1 -5,-0.1 261,-0.1 -0.925 62.1-151.2-127.3 142.6 30.6 17.9 15.2 16 16 A T S S+ 0 0 92 -2,-0.3 -1,-0.1 1,-0.1 -4,-0.1 0.373 92.1 37.4 -79.7 -4.6 33.6 15.5 15.0 17 17 A S S S- 0 0 59 -5,-0.1 3,-0.3 240,-0.0 -1,-0.1 -0.997 82.6-114.1-150.2 150.7 35.3 17.6 17.7 18 18 A P S S+ 0 0 55 0, 0.0 168,-0.1 0, 0.0 167,-0.1 -0.250 85.7 56.8 -68.7 168.0 34.5 19.5 20.9 19 19 A G S S+ 0 0 80 166,-0.4 2,-0.3 1,-0.3 167,-0.1 0.654 73.3 113.8 91.3 15.7 34.9 23.3 21.1 20 20 A T - 0 0 63 -3,-0.3 -1,-0.3 -12,-0.2 -9,-0.1 -0.824 46.5-159.6-117.4 165.2 32.7 24.6 18.3 21 21 A S + 0 0 60 -2,-0.3 -15,-2.8 -10,-0.1 2,-0.4 0.202 59.3 95.3-132.0 8.0 29.5 26.7 18.7 22 22 A T - 0 0 25 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.914 60.6-146.4-106.5 134.5 27.6 26.3 15.4 23 23 A Y E -A 3 0A 0 -20,-2.6 -20,-2.7 -2,-0.4 2,-0.4 -0.902 14.4-165.3 -98.7 122.7 24.8 23.6 15.1 24 24 A Y E +A 2 0A 86 -2,-0.5 2,-0.3 -14,-0.3 253,-0.2 -0.921 21.0 149.0-108.5 132.1 24.6 22.0 11.6 25 25 A Y - 0 0 35 -24,-1.7 2,-0.2 -2,-0.4 -11,-0.0 -0.992 52.9 -89.1-158.1 152.0 21.5 19.9 10.6 26 26 A D > - 0 0 49 -2,-0.3 3,-2.3 1,-0.1 4,-0.1 -0.490 39.3-127.1 -65.3 131.8 19.4 19.0 7.7 27 27 A E T 3 S+ 0 0 140 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.682 103.9 81.5 -57.5 -22.1 16.5 21.6 7.3 28 28 A S T > S- 0 0 30 1,-0.1 3,-2.3 2,-0.1 -1,-0.3 0.879 77.5-175.3 -51.5 -36.5 14.0 18.8 7.3 29 29 A A T < - 0 0 2 -3,-2.3 58,-2.7 1,-0.3 59,-0.4 0.727 63.5 -53.6 54.6 32.5 14.6 19.2 11.1 30 30 A G T > S+ 0 0 0 206,-0.4 3,-2.0 1,-0.2 59,-0.3 0.609 85.4 167.6 77.8 11.3 12.5 16.2 12.3 31 31 A Q T < + 0 0 109 -3,-2.3 -1,-0.2 1,-0.2 57,-0.2 -0.324 64.7 23.6 -58.3 136.4 9.4 17.4 10.5 32 32 A G T 3 S+ 0 0 25 55,-0.5 93,-3.0 1,-0.4 94,-0.6 0.436 104.2 105.4 78.7 2.8 6.7 14.7 10.4 33 33 A S E < -b 126 0B 2 -3,-2.0 56,-1.8 92,-0.2 -1,-0.4 -0.577 58.0-145.0 -99.7 169.5 8.1 13.0 13.5 34 34 A a E -bc 127 89B 0 92,-1.7 94,-2.3 -2,-0.2 2,-0.4 -0.995 8.4-167.2-133.5 142.5 6.7 13.0 17.1 35 35 A V E -bc 128 90B 0 54,-2.9 56,-2.6 -2,-0.3 2,-0.4 -0.988 9.3-152.9-132.2 125.4 8.5 13.0 20.5 36 36 A Y E -bc 129 91B 0 92,-2.6 94,-3.1 -2,-0.4 2,-0.6 -0.768 5.6-155.2 -86.4 135.1 6.7 12.3 23.7 37 37 A V E -bc 130 92B 1 54,-2.9 56,-2.3 -2,-0.4 2,-0.8 -0.955 7.0-164.6-115.8 107.9 8.3 13.9 26.8 38 38 A I E +bc 131 93B 0 92,-2.1 94,-0.8 -2,-0.6 2,-0.2 -0.867 51.8 83.8 -98.6 104.4 7.3 11.8 29.8 39 39 A D E S- c 0 94B 0 54,-2.1 57,-2.0 -2,-0.8 56,-1.3 -0.635 98.6 -30.1-174.1-151.0 8.2 14.1 32.7 40 40 A T S S- 0 0 0 1,-0.3 26,-0.3 -2,-0.2 27,-0.3 0.348 98.6 -97.1 -82.6 1.8 6.7 17.0 34.7 41 41 A G - 0 0 0 52,-0.3 2,-0.4 -4,-0.1 -1,-0.3 -0.580 38.8 -89.5 112.2-173.8 4.8 18.2 31.6 42 42 A I - 0 0 4 21,-0.5 2,-2.0 -2,-0.2 3,-0.1 -0.982 18.3-129.7-140.1 132.5 5.6 20.9 29.0 43 43 A E > - 0 0 38 -2,-0.4 3,-2.1 1,-0.2 6,-0.2 -0.564 32.0-177.0 -77.2 84.3 4.7 24.6 29.0 44 44 A A T 3 S+ 0 0 32 -2,-2.0 7,-0.5 1,-0.3 9,-0.4 0.696 72.4 66.6 -59.3 -24.2 3.3 24.4 25.5 45 45 A S T 3 S+ 0 0 104 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.530 70.4 121.4 -77.5 -9.7 2.6 28.2 25.4 46 46 A H S X> S- 0 0 9 -3,-2.1 3,-2.3 1,-0.1 4,-0.7 -0.386 70.7-129.6 -54.3 127.3 6.4 29.0 25.4 47 47 A P G >4 S+ 0 0 79 0, 0.0 3,-0.8 0, 0.0 -1,-0.1 0.821 104.9 68.6 -48.5 -31.4 7.3 31.0 22.2 48 48 A E G 34 S+ 0 0 12 1,-0.2 32,-2.6 2,-0.1 33,-0.1 0.692 95.2 54.3 -64.0 -18.9 10.2 28.5 21.6 49 49 A F G X4 S- 0 0 0 -3,-2.3 3,-2.1 30,-0.2 -1,-0.2 0.711 88.7-155.3 -90.2 -23.8 7.7 25.7 20.8 50 50 A E T << - 0 0 108 -3,-0.8 -2,-0.1 -4,-0.7 -5,-0.1 0.755 67.6 -53.2 63.1 28.1 5.9 27.7 18.2 51 51 A G T 3 S+ 0 0 65 -7,-0.5 -1,-0.3 -5,-0.3 -6,-0.1 0.399 118.1 106.9 88.5 -5.1 2.6 25.8 18.4 52 52 A R < + 0 0 31 -3,-2.1 38,-2.9 26,-0.1 2,-0.4 0.425 64.5 73.6 -87.9 -3.1 4.4 22.4 18.0 53 53 A A E +d 90 0B 9 -9,-0.4 2,-0.3 36,-0.2 38,-0.2 -0.880 53.5 163.5-109.2 146.5 4.0 21.3 21.6 54 54 A Q E -d 91 0B 65 36,-1.8 38,-3.0 -2,-0.4 2,-0.4 -0.989 37.3-117.0-154.4 158.0 1.0 20.2 23.5 55 55 A M E +d 92 0B 41 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.781 31.1 169.6 -86.2 130.3 -0.0 18.3 26.7 56 56 A V E + 0 0 30 36,-2.7 2,-0.3 -2,-0.4 37,-0.2 0.481 61.6 17.7-112.8 -9.8 -1.8 15.1 25.9 57 57 A K E +d 93 0B 74 35,-1.3 37,-2.7 6,-0.1 -1,-0.3 -0.954 50.9 174.2-164.9 136.4 -1.9 13.5 29.4 58 58 A T E -d 94 0B 37 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.979 20.1-160.3-138.9 159.1 -1.6 14.1 33.0 59 59 A Y S S+ 0 0 66 35,-1.6 2,-0.2 -2,-0.3 36,-0.1 0.255 76.3 66.0-112.5 8.0 -2.1 12.0 36.2 60 60 A Y S S- 0 0 63 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.585 105.5 -80.2-125.8-176.6 -2.4 15.0 38.5 61 61 A Y S S+ 0 0 204 -2,-0.2 2,-0.3 1,-0.1 -3,-0.0 0.691 113.5 24.9 -67.8 -12.8 -4.8 17.9 39.2 62 62 A S - 0 0 42 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.984 57.6-143.9-147.9 156.4 -3.2 19.7 36.2 63 63 A S + 0 0 48 -2,-0.3 -21,-0.5 -5,-0.1 -6,-0.1 0.472 69.3 118.2 -92.3 -7.2 -1.3 19.1 33.0 64 64 A R S S- 0 0 151 -23,-0.1 2,-1.1 1,-0.1 -2,-0.1 -0.359 71.9-124.9 -56.5 133.4 0.7 22.3 33.7 65 65 A D + 0 0 1 1,-0.1 -24,-0.1 -23,-0.1 -1,-0.1 -0.771 36.6 170.0 -75.4 100.8 4.5 22.0 34.2 66 66 A G S S+ 0 0 22 -2,-1.1 -1,-0.1 -26,-0.3 -25,-0.1 0.357 73.8 49.0 -94.4 6.7 4.8 23.6 37.7 67 67 A N S S- 0 0 47 -27,-0.3 146,-0.1 -3,-0.0 -1,-0.1 0.811 90.5-137.3-106.6 -60.6 8.5 22.4 38.0 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.1 -28,-0.1 5,-0.1 -0.036 76.2 101.2 119.9 -28.4 10.3 23.3 34.7 69 69 A H H > S+ 0 0 39 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.922 83.7 46.8 -56.9 -49.2 12.2 20.1 34.2 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.899 112.1 52.4 -62.0 -37.9 9.8 18.6 31.5 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 140,-0.3 0.900 109.2 49.4 -60.5 -42.5 9.8 22.0 29.7 72 72 A H H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 139,-0.4 0.957 112.8 46.0 -64.3 -52.4 13.7 22.0 29.7 73 73 A C H X S+ 0 0 0 -4,-2.8 4,-1.5 1,-0.2 -2,-0.2 0.918 113.7 49.4 -54.2 -50.1 13.8 18.4 28.3 74 74 A A H X S+ 0 0 0 -4,-2.8 4,-2.4 -33,-0.2 5,-0.3 0.875 107.7 54.6 -56.3 -40.1 11.2 19.2 25.7 75 75 A G H X S+ 0 0 0 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.855 108.1 50.2 -67.9 -34.6 13.1 22.4 24.6 76 76 A T H < S+ 0 0 0 -4,-1.9 8,-2.1 7,-0.2 -1,-0.2 0.823 112.0 48.1 -69.2 -33.0 16.2 20.3 24.0 77 77 A V H < S- 0 0 0 -4,-1.5 8,-3.3 6,-0.2 -2,-0.2 0.962 139.1 -14.2 -64.2 -52.9 14.2 17.8 21.9 78 78 A G H < S+ 0 0 0 -4,-2.4 -3,-0.2 5,-0.2 -2,-0.2 0.253 82.0 131.9-152.3 11.4 12.5 20.4 19.7 79 79 A S X - 0 0 0 -4,-1.9 4,-1.7 -5,-0.3 -30,-0.2 -0.450 63.2-116.3 -69.2 155.5 12.5 24.1 20.7 80 80 A R T 4 S+ 0 0 109 -32,-2.6 6,-0.1 1,-0.2 -1,-0.1 0.899 108.6 23.6 -63.1 -41.2 13.4 26.4 17.9 81 81 A T T 4 S+ 0 0 48 -33,-0.1 -1,-0.2 1,-0.1 5,-0.1 0.890 134.5 30.7 -90.8 -41.5 16.6 27.7 19.6 82 82 A Y T 4 S+ 0 0 37 -76,-0.1 2,-0.3 -7,-0.1 -2,-0.2 0.377 98.8 99.6-107.5 3.2 17.6 25.0 22.0 83 83 A G < - 0 0 0 -4,-1.7 3,-0.3 1,-0.1 -6,-0.2 -0.651 58.1-149.3-102.2 153.3 16.3 21.9 20.2 84 84 A V S S+ 0 0 0 -8,-2.1 2,-0.8 -2,-0.3 -6,-0.2 0.879 101.2 39.5 -75.2 -45.4 17.9 19.1 18.1 85 85 A A S > S- 0 0 0 -8,-3.3 3,-1.8 -9,-0.2 -1,-0.2 -0.740 72.9-180.0-113.9 83.6 14.8 18.5 16.0 86 86 A K T 3 S+ 0 0 17 -2,-0.8 -56,-0.2 -3,-0.3 -1,-0.1 0.509 78.5 43.0 -66.8 -10.3 13.4 22.0 15.5 87 87 A K T 3 S+ 0 0 78 -58,-2.7 -55,-0.5 -8,-0.1 -1,-0.3 0.322 87.3 118.4-120.8 8.2 10.4 21.0 13.4 88 88 A T < - 0 0 1 -3,-1.8 2,-0.4 -59,-0.4 -54,-0.2 -0.332 66.7-113.8 -70.6 156.6 9.2 17.9 15.4 89 89 A Q E -c 34 0B 53 -56,-1.8 -54,-2.9 -59,-0.3 2,-0.4 -0.770 30.9-151.0 -86.4 134.5 5.8 17.6 17.2 90 90 A L E -cd 35 53B 0 -38,-2.9 -36,-1.8 -2,-0.4 2,-0.5 -0.928 9.3-166.7-112.7 129.6 6.1 17.4 21.0 91 91 A F E -cd 36 54B 6 -56,-2.6 -54,-2.9 -2,-0.4 2,-0.4 -0.971 11.7-146.3-120.5 124.2 3.6 15.5 23.3 92 92 A G E -cd 37 55B 0 -38,-3.0 -36,-2.7 -2,-0.5 -35,-1.3 -0.746 15.1-178.1 -94.2 128.7 3.7 16.1 27.0 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-2.1 -2,-0.4 2,-1.3 -0.958 17.6-150.3-126.0 105.4 2.8 13.2 29.4 94 94 A K E +cd 39 58B 4 -37,-2.7 -35,-1.6 -2,-0.5 -54,-0.2 -0.668 40.9 143.2 -84.8 92.1 2.9 14.5 33.0 95 95 A V + 0 0 0 -2,-1.3 2,-0.4 -56,-1.3 -1,-0.2 0.551 61.1 68.3 -95.5 -15.6 3.9 11.4 35.2 96 96 A L S S- 0 0 10 -57,-2.0 6,-0.3 -3,-0.2 -57,-0.1 -0.895 81.1-131.6-111.1 139.3 5.9 13.5 37.5 97 97 A D > - 0 0 46 4,-3.7 3,-2.7 -2,-0.4 -2,-0.1 -0.076 43.2 -82.4 -77.5-179.8 4.4 16.0 39.9 98 98 A D T 3 S+ 0 0 38 1,-0.3 -1,-0.1 2,-0.1 -58,-0.1 0.594 131.0 59.8 -66.2 -5.6 5.6 19.6 40.4 99 99 A N T 3 S- 0 0 138 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.473 120.3-109.5 -92.6 -0.0 8.3 18.3 42.7 100 100 A G S < S+ 0 0 31 -3,-2.7 2,-0.3 1,-0.3 -2,-0.1 0.521 81.5 125.6 76.5 11.0 9.7 16.1 40.0 101 101 A S + 0 0 68 -61,-0.0 -4,-3.7 -5,-0.0 2,-0.3 -0.683 30.7 167.9-100.5 153.5 8.4 13.0 41.8 102 102 A G - 0 0 26 -6,-0.3 -6,-0.1 -2,-0.3 -7,-0.1 -0.916 35.5-112.7-162.7 135.5 6.1 10.2 40.6 103 103 A Q > - 0 0 144 -2,-0.3 4,-2.1 -8,-0.1 3,-0.4 -0.343 32.0-120.3 -58.6 145.1 5.0 6.8 41.8 104 104 A Y H > S+ 0 0 65 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.855 112.5 57.4 -62.0 -36.3 6.2 3.9 39.7 105 105 A S H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.852 108.2 47.2 -65.2 -34.0 2.7 2.8 38.9 106 106 A T H > S+ 0 0 33 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.904 111.5 50.9 -67.7 -43.8 1.9 6.3 37.4 107 107 A I H X S+ 0 0 8 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.897 111.4 48.7 -59.6 -42.9 5.2 6.2 35.4 108 108 A I H X S+ 0 0 33 -4,-2.5 4,-2.5 2,-0.2 5,-0.3 0.925 109.1 51.9 -62.6 -49.8 4.2 2.7 34.1 109 109 A A H X S+ 0 0 40 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.919 107.9 53.0 -55.4 -45.5 0.7 3.9 33.1 110 110 A G H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.868 108.3 49.8 -54.2 -40.1 2.3 6.9 31.2 111 111 A M H X S+ 0 0 1 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.937 112.9 45.7 -73.2 -40.1 4.5 4.6 29.2 112 112 A D H X S+ 0 0 56 -4,-2.5 4,-1.4 1,-0.2 -1,-0.2 0.845 109.3 57.9 -67.2 -31.5 1.6 2.3 28.3 113 113 A F H X S+ 0 0 45 -4,-2.2 4,-3.8 -5,-0.3 3,-0.4 0.932 106.3 46.9 -61.1 -51.2 -0.4 5.4 27.5 114 114 A V H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.910 105.7 59.4 -55.6 -44.8 2.2 6.6 24.9 115 115 A A H < S+ 0 0 16 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.845 119.9 29.3 -53.7 -37.3 2.3 3.0 23.3 116 116 A S H >< S+ 0 0 73 -4,-1.4 3,-2.1 -3,-0.4 4,-0.3 0.865 114.9 60.6 -84.9 -45.6 -1.5 3.4 22.6 117 117 A D H >< S+ 0 0 7 -4,-3.8 3,-3.3 1,-0.3 4,-0.4 0.853 88.2 70.9 -61.4 -33.8 -1.7 7.2 22.2 118 118 A K G >< S+ 0 0 34 -4,-2.4 3,-1.5 1,-0.3 -1,-0.3 0.842 90.5 65.2 -49.3 -30.1 0.7 7.2 19.2 119 119 A N G < S+ 0 0 122 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.668 101.1 49.0 -66.4 -13.9 -2.3 5.5 17.3 120 120 A N G < S+ 0 0 119 -3,-3.3 2,-0.3 -4,-0.3 -1,-0.3 0.382 103.3 80.6-104.0 1.1 -4.2 8.8 17.9 121 121 A R S < S- 0 0 77 -3,-1.5 2,-0.9 -4,-0.4 -87,-0.1 -0.764 77.8-122.8-111.0 151.3 -1.3 11.0 16.5 122 122 A N + 0 0 154 -2,-0.3 3,-0.1 1,-0.1 -90,-0.1 -0.798 50.6 142.2 -92.3 103.1 0.0 12.0 13.1 123 123 A a > + 0 0 21 -2,-0.9 3,-1.8 -5,-0.2 -89,-0.2 -0.471 11.9 165.1-140.2 63.8 3.6 10.9 12.9 124 124 A P T 3 S+ 0 0 110 0, 0.0 -91,-0.2 0, 0.0 -1,-0.1 0.755 80.8 50.5 -58.7 -22.6 4.4 9.5 9.4 125 125 A K T 3 S- 0 0 108 -93,-3.0 -92,-0.2 1,-0.3 2,-0.2 0.614 121.8 -85.9 -96.4 -7.7 8.2 9.7 10.0 126 126 A G E < -b 33 0B 21 -3,-1.8 -92,-1.7 -94,-0.6 2,-0.4 -0.533 35.8 -90.3 127.1 168.8 8.1 7.8 13.3 127 127 A V E -be 34 153B 12 25,-0.5 27,-2.8 -94,-0.2 2,-0.3 -0.950 28.6-175.2-126.8 133.3 7.6 8.2 17.1 128 128 A V E -be 35 154B 0 -94,-2.3 -92,-2.6 -2,-0.4 2,-0.4 -0.924 9.1-157.1-120.8 146.4 10.1 8.8 19.9 129 129 A A E -be 36 155B 0 25,-3.1 27,-3.0 -2,-0.3 2,-0.6 -0.999 4.7-157.4-124.9 137.3 9.8 8.9 23.7 130 130 A S E -be 37 156B 1 -94,-3.1 -92,-2.1 -2,-0.4 2,-0.7 -0.931 8.4-172.0-110.5 115.4 12.1 10.8 26.0 131 131 A L E +be 38 157B 0 25,-3.3 27,-2.0 -2,-0.6 2,-1.4 -0.818 9.1 176.5-116.4 97.0 12.2 9.5 29.6 132 132 A S + 0 0 3 -94,-0.8 2,-0.3 -2,-0.7 92,-0.1 -0.457 52.8 83.5-101.6 62.5 14.2 11.8 31.8 133 133 A L + 0 0 17 -2,-1.4 25,-0.3 25,-0.1 2,-0.3 -0.976 43.9 158.1-155.4 162.1 13.5 9.9 35.0 134 134 A G + 0 0 56 -2,-0.3 2,-0.2 37,-0.1 3,-0.1 -0.960 10.9 176.3-174.7 163.1 14.5 6.9 37.2 135 135 A G E -K 170 0C 23 35,-2.0 35,-2.1 -2,-0.3 37,-0.2 -0.794 55.6 -35.4-147.9-156.8 14.6 5.2 40.5 136 136 A G E S-K 169 0C 43 -2,-0.2 33,-0.3 33,-0.2 -1,-0.3 -0.106 84.0 -66.6 -63.9 164.2 15.9 1.8 41.8 137 137 A Y + 0 0 130 31,-1.5 2,-0.4 32,-0.2 -1,-0.2 -0.248 57.5 168.8 -52.1 132.7 15.6 -1.3 39.7 138 138 A S > - 0 0 23 -3,-0.1 4,-2.1 1,-0.1 5,-0.2 -0.945 30.8-153.5-146.9 124.3 12.0 -2.6 39.1 139 139 A S H > S+ 0 0 75 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.826 99.1 56.9 -64.2 -31.5 11.2 -5.3 36.6 140 140 A S H > S+ 0 0 71 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.904 108.9 45.0 -62.6 -45.2 7.7 -3.7 36.2 141 141 A V H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.912 114.6 47.5 -66.1 -42.5 9.2 -0.4 35.2 142 142 A N H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.905 110.5 53.2 -62.4 -41.4 11.7 -2.1 32.8 143 143 A S H X S+ 0 0 56 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.850 107.1 51.8 -63.8 -35.9 8.9 -4.2 31.3 144 144 A A H X S+ 0 0 0 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.913 110.6 47.3 -68.9 -41.3 6.8 -1.1 30.6 145 145 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.900 110.0 54.1 -64.1 -40.2 9.7 0.5 28.9 146 146 A A H X S+ 0 0 25 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.886 108.7 48.9 -62.3 -41.3 10.2 -2.7 26.9 147 147 A R H X S+ 0 0 100 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.909 109.1 52.1 -62.1 -46.0 6.5 -2.7 25.7 148 148 A L H <>S+ 0 0 0 -4,-2.2 5,-1.2 2,-0.2 4,-0.3 0.943 113.6 43.2 -57.0 -51.1 6.7 1.0 24.6 149 149 A Q H >X5S+ 0 0 28 -4,-2.3 3,-2.0 1,-0.2 4,-0.6 0.954 113.9 52.6 -57.6 -49.6 9.8 0.2 22.6 150 150 A S H 3<5S+ 0 0 104 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.839 100.0 62.9 -52.8 -39.5 8.1 -3.0 21.3 151 151 A S T 3<5S- 0 0 42 -4,-2.5 -1,-0.3 -5,-0.1 -2,-0.2 0.527 131.2 -85.1 -67.4 -6.9 5.0 -1.1 20.2 152 152 A G T <45S+ 0 0 34 -3,-2.0 -25,-0.5 1,-0.3 2,-0.4 0.670 87.9 126.8 107.3 25.0 7.0 0.9 17.7 153 153 A V E << -e 127 0B 0 -5,-1.2 2,-0.9 -4,-0.6 -1,-0.3 -0.941 60.1-128.6-120.2 128.2 8.5 3.9 19.8 154 154 A M E -e 128 0B 1 -27,-2.8 -25,-3.1 -2,-0.4 2,-0.7 -0.692 34.2-155.0 -73.3 110.6 12.2 4.8 19.9 155 155 A V E -e 129 0B 0 -2,-0.9 23,-3.4 90,-0.2 2,-0.5 -0.815 16.8-177.9-100.1 119.8 12.6 4.9 23.7 156 156 A A E -ef 130 178B 0 -27,-3.0 -25,-3.3 -2,-0.7 2,-0.3 -0.963 7.7-179.1-113.8 128.6 15.4 7.0 25.2 157 157 A V E -ef 131 179B 0 21,-2.4 23,-3.1 -2,-0.5 2,-0.2 -0.924 31.6-106.7-128.7 147.4 15.9 6.9 29.0 158 158 A A E - f 0 180B 5 -27,-2.0 14,-0.2 -2,-0.3 23,-0.2 -0.550 18.7-140.6 -72.8 132.8 18.4 8.7 31.3 159 159 A A - 0 0 0 21,-2.8 22,-0.1 -2,-0.2 36,-0.1 0.788 53.2-109.8 -59.1 -32.5 21.1 6.4 32.8 160 160 A G - 0 0 16 20,-0.3 34,-2.8 34,-0.1 3,-0.2 -0.256 13.6-104.1 112.5 167.0 20.7 8.3 36.1 161 161 A N S S+ 0 0 72 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.164 83.3 103.7-119.2 34.3 22.9 10.7 38.0 162 162 A N S S- 0 0 85 2,-0.1 31,-0.2 -3,-0.1 -1,-0.2 0.316 84.2-123.3-100.8 0.9 24.4 8.6 40.9 163 163 A N S S+ 0 0 78 29,-2.3 2,-0.3 -3,-0.2 31,-0.2 0.940 79.1 111.7 47.3 52.6 27.9 8.1 39.3 164 164 A A S S- 0 0 25 28,-0.2 31,-2.1 -4,-0.1 2,-0.5 -0.838 83.2 -68.5-143.8 174.1 27.1 4.4 39.6 165 165 A D B > -l 195 0D 42 -2,-0.3 3,-1.6 29,-0.2 31,-0.2 -0.625 39.2-143.9 -74.9 119.3 26.4 1.3 37.5 166 166 A A G > S+ 0 0 0 29,-3.4 3,-1.6 -2,-0.5 -1,-0.1 0.471 85.3 91.2 -64.9 -9.4 23.0 1.9 35.8 167 167 A R G 3 S+ 0 0 161 28,-0.3 -1,-0.3 1,-0.2 6,-0.1 0.754 84.6 55.8 -49.8 -25.9 22.2 -1.8 36.1 168 168 A N G < S+ 0 0 103 -3,-1.6 -31,-1.5 -31,-0.1 2,-0.3 0.220 100.2 73.7 -96.0 14.0 20.7 -0.9 39.5 169 169 A Y E <> S-K 136 0C 54 -3,-1.6 4,-2.1 -33,-0.3 -33,-0.2 -0.876 76.1-106.5-130.2 157.3 18.2 1.7 38.1 170 170 A S E 4 S+K 135 0C 0 -35,-2.1 -35,-2.0 -2,-0.3 -28,-0.1 -0.993 95.0 5.4-141.5 140.1 15.0 1.6 36.1 171 171 A P T >4 S+ 0 0 0 0, 0.0 3,-2.0 0, 0.0 -1,-0.3 -0.981 122.4 71.6 -80.1 15.1 14.1 2.1 33.3 172 172 A A T 34 S+ 0 0 2 1,-0.3 -2,-0.3 -37,-0.2 5,-0.1 0.878 97.4 52.5 -55.0 -35.9 18.0 2.7 32.8 173 173 A S T 3< S+ 0 0 13 -4,-2.1 -1,-0.3 -7,-0.1 -3,-0.1 0.443 75.8 114.7 -85.2 0.0 18.7 -1.1 33.1 174 174 A E X - 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