==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-MAR-09 3GT4 . COMPND 2 MOLECULE: PROTEINASE K; . SOURCE 2 ORGANISM_SCIENTIFIC: ENGYODONTIUM ALBUM; . AUTHOR T.BECK,T.GRUENE,G.M.SHELDRICK . 279 1 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9883.0 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 . 20 7.2 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 . 59 21.1 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,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 152.9 12.5 9.6 7.8 2 2 A A E -A 24 0A 66 22,-0.2 2,-0.7 20,-0.0 22,-0.2 -0.968 360.0-165.3-130.9 128.1 10.4 7.7 10.3 3 3 A Q E > -A 23 0A 28 20,-3.3 20,-2.7 -2,-0.4 3,-0.6 -0.899 20.5-148.6-110.9 110.2 11.4 6.2 13.7 4 4 A T T 3 S+ 0 0 99 -2,-0.7 18,-0.2 1,-0.2 -2,-0.0 -0.383 74.9 16.5 -80.6 156.4 8.8 3.8 14.9 5 5 A N T 3 S+ 0 0 140 16,-0.2 -1,-0.2 1,-0.1 17,-0.2 0.884 88.7 171.5 44.5 48.8 8.0 3.3 18.6 6 6 A A < - 0 0 10 15,-2.5 -1,-0.1 -3,-0.6 76,-0.1 -0.404 45.0 -84.2 -71.6 154.7 9.8 6.5 19.4 7 7 A P >> - 0 0 18 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.386 48.0-111.1 -54.8 145.2 9.8 8.1 22.8 8 8 A W H 3> S+ 0 0 27 1,-0.3 4,-2.8 199,-0.2 12,-0.2 0.811 114.7 56.6 -52.5 -38.0 6.6 10.1 23.1 9 9 A G H 3> S+ 0 0 2 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.890 106.0 48.7 -68.6 -36.4 8.4 13.5 23.1 10 10 A L H <> S+ 0 0 1 -3,-0.9 4,-1.0 2,-0.2 14,-0.3 0.946 113.3 48.4 -64.6 -45.8 10.2 12.8 19.8 11 11 A A H >< S+ 0 0 0 -4,-2.0 3,-0.7 1,-0.2 -2,-0.2 0.901 110.8 52.0 -56.7 -41.4 6.9 11.8 18.4 12 12 A R H >< S+ 0 0 6 -4,-2.8 3,-1.9 1,-0.2 -1,-0.2 0.881 101.1 60.3 -64.1 -41.0 5.3 15.0 19.8 13 13 A I H 3< S+ 0 0 0 -4,-2.2 262,-3.0 1,-0.3 263,-0.4 0.766 111.7 39.7 -56.7 -31.1 8.0 17.2 18.3 14 14 A S T << S+ 0 0 8 -4,-1.0 2,-0.4 -3,-0.7 -1,-0.3 0.121 105.8 84.7-108.8 20.0 7.0 16.1 14.8 15 15 A S < - 0 0 17 -3,-1.9 242,-0.1 1,-0.1 261,-0.1 -0.936 60.8-152.0-126.1 145.2 3.2 16.0 15.3 16 16 A T S S+ 0 0 87 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.1 0.422 92.5 45.6 -79.3 -1.2 0.3 18.4 15.1 17 17 A S S S- 0 0 62 -5,-0.1 3,-0.3 240,-0.0 -1,-0.1 -0.998 79.8-124.3-142.4 144.6 -1.4 16.1 17.7 18 18 A P S S+ 0 0 55 0, 0.0 168,-0.1 0, 0.0 3,-0.1 -0.311 82.3 58.4 -72.3 168.9 -0.5 14.3 20.9 19 19 A G S S+ 0 0 79 166,-0.5 2,-0.3 1,-0.3 167,-0.1 0.689 74.5 114.3 87.1 21.3 -0.9 10.6 21.2 20 20 A T - 0 0 66 -3,-0.3 -1,-0.3 -12,-0.2 -9,-0.1 -0.802 48.1-156.7-117.6 169.8 1.3 9.2 18.4 21 21 A S + 0 0 58 -2,-0.3 -15,-2.5 -10,-0.1 2,-0.4 0.125 59.3 91.8-137.1 13.6 4.5 7.2 18.7 22 22 A T - 0 0 24 -17,-0.2 2,-0.5 -18,-0.2 -18,-0.2 -0.963 59.6-145.4-113.7 136.7 6.4 7.7 15.5 23 23 A Y E -A 3 0A 0 -20,-2.7 -20,-3.3 -2,-0.4 2,-0.4 -0.843 14.7-166.7 -99.2 128.3 9.1 10.3 15.0 24 24 A Y E +A 2 0A 103 -2,-0.5 2,-0.3 -14,-0.3 -22,-0.2 -0.946 19.9 146.0-114.3 134.4 9.4 11.9 11.6 25 25 A Y - 0 0 34 -24,-2.0 2,-0.2 -2,-0.4 251,-0.0 -0.990 52.5 -83.4-160.1 155.7 12.3 14.1 10.6 26 26 A D > - 0 0 48 -2,-0.3 3,-2.3 1,-0.1 4,-0.1 -0.456 41.1-126.1 -62.8 129.4 14.6 15.0 7.6 27 27 A E T 3 S+ 0 0 97 1,-0.3 -1,-0.1 -2,-0.2 4,-0.1 0.666 102.9 80.6 -57.0 -18.8 17.4 12.5 7.2 28 28 A S T > S- 0 0 34 1,-0.1 3,-2.4 2,-0.1 -1,-0.3 0.887 75.3-175.0 -56.9 -35.3 20.0 15.2 7.4 29 29 A A T < - 0 0 2 -3,-2.3 58,-3.0 1,-0.3 59,-0.4 0.725 64.7 -55.0 53.6 32.6 19.3 14.9 11.1 30 30 A G T > S+ 0 0 0 206,-0.3 3,-2.2 1,-0.2 -1,-0.3 0.596 83.5 167.3 81.6 9.1 21.5 17.8 12.3 31 31 A Q T < + 0 0 70 -3,-2.4 -1,-0.2 1,-0.3 57,-0.2 -0.373 67.1 25.7 -56.6 131.6 24.6 16.5 10.5 32 32 A G T 3 S+ 0 0 23 55,-0.5 93,-2.5 1,-0.5 94,-0.6 0.330 103.7 103.4 95.0 -8.1 27.3 19.3 10.5 33 33 A S E < -b 126 0B 0 -3,-2.2 56,-1.7 92,-0.2 -1,-0.5 -0.579 58.3-146.3 -95.3 167.1 25.9 21.0 13.5 34 34 A a E -bc 127 89B 0 92,-1.8 94,-2.5 -2,-0.2 2,-0.5 -0.999 7.4-165.6-134.7 137.3 27.2 20.9 17.1 35 35 A V E -bc 128 90B 0 54,-2.9 56,-1.9 -2,-0.4 2,-0.5 -0.990 10.5-149.6-125.6 122.9 25.4 20.9 20.4 36 36 A Y E -bc 129 91B 0 92,-3.4 94,-3.6 -2,-0.5 2,-0.7 -0.781 5.2-155.9 -86.7 131.0 27.2 21.6 23.7 37 37 A V E -bc 130 92B 1 54,-2.7 56,-2.3 -2,-0.5 2,-0.8 -0.918 6.4-165.9-110.5 104.7 25.7 19.9 26.7 38 38 A I E +bc 131 93B 2 92,-2.2 94,-0.5 -2,-0.7 2,-0.2 -0.816 50.8 85.2 -99.7 103.8 26.7 21.9 29.8 39 39 A D E S- c 0 94B 0 54,-2.1 57,-2.1 -2,-0.8 56,-1.3 -0.621 96.3 -34.0-170.7-147.7 25.9 19.6 32.6 40 40 A T S S- 0 0 0 1,-0.4 26,-0.4 54,-0.2 27,-0.2 0.312 97.3 -92.0 -88.9 6.4 27.3 16.7 34.7 41 41 A G - 0 0 0 52,-0.3 -1,-0.4 -4,-0.2 2,-0.3 -0.618 38.5 -95.3 108.7-176.6 29.2 15.3 31.7 42 42 A I - 0 0 2 21,-0.6 2,-1.5 -2,-0.2 3,-0.1 -0.987 17.9-129.7-143.8 131.7 28.3 12.8 29.0 43 43 A E > - 0 0 40 -2,-0.3 3,-2.0 1,-0.2 6,-0.2 -0.696 30.0-176.7 -82.5 90.0 29.1 9.1 28.9 44 44 A A T 3 S+ 0 0 36 -2,-1.5 7,-0.5 1,-0.3 9,-0.3 0.765 72.8 68.1 -61.5 -27.2 30.6 9.2 25.4 45 45 A S T 3 + 0 0 102 -3,-0.1 -1,-0.3 5,-0.1 5,-0.1 0.579 69.9 120.4 -73.4 -7.7 31.1 5.5 25.3 46 46 A H X> - 0 0 9 -3,-2.0 3,-2.4 1,-0.2 4,-0.6 -0.375 69.2-132.8 -59.3 130.3 27.4 4.8 25.3 47 47 A P G >4 S+ 0 0 74 0, 0.0 3,-1.3 0, 0.0 -1,-0.2 0.845 103.1 70.9 -47.2 -36.1 26.5 2.8 22.2 48 48 A E G 34 S+ 0 0 11 1,-0.3 32,-2.6 2,-0.1 33,-0.2 0.682 93.8 53.2 -59.7 -21.4 23.6 5.3 21.7 49 49 A F G X4 S- 0 0 0 -3,-2.4 3,-2.8 30,-0.2 -1,-0.3 0.587 89.3-151.6 -96.0 -12.2 26.0 8.1 20.8 50 50 A E T << - 0 0 108 -3,-1.3 -2,-0.1 -4,-0.6 -5,-0.1 0.669 67.4 -53.8 63.6 21.1 27.8 6.2 18.0 51 51 A G T 3 S+ 0 0 62 -7,-0.5 -1,-0.3 -5,-0.4 -6,-0.1 0.402 118.3 106.2 93.7 -4.6 31.1 8.0 18.4 52 52 A R < + 0 0 23 -3,-2.8 38,-2.7 26,-0.1 2,-0.3 0.479 61.7 79.7 -90.9 -3.6 29.5 11.4 18.0 53 53 A A E +d 90 0B 9 -9,-0.3 2,-0.3 36,-0.2 38,-0.2 -0.783 52.3 165.9-103.8 145.7 29.8 12.4 21.6 54 54 A Q E -d 91 0B 55 36,-1.6 38,-2.8 -2,-0.3 2,-0.4 -0.975 35.1-124.2-152.2 142.0 33.0 13.7 23.3 55 55 A M E +d 92 0B 43 -2,-0.3 38,-0.2 36,-0.2 3,-0.1 -0.740 29.6 171.7 -79.2 132.1 33.9 15.4 26.6 56 56 A V E + 0 0 31 36,-3.2 2,-0.3 -2,-0.4 37,-0.2 0.589 60.5 16.6-117.7 -13.0 35.7 18.7 25.8 57 57 A K E +d 93 0B 75 35,-1.5 37,-2.8 6,-0.1 -1,-0.3 -0.973 52.6 178.3-158.8 140.6 36.0 20.3 29.3 58 58 A T E -d 94 0B 39 -2,-0.3 37,-0.2 35,-0.2 5,-0.1 -0.983 19.6-163.1-136.5 153.9 35.6 19.6 33.0 59 59 A Y S S+ 0 0 71 35,-1.5 2,-0.2 -2,-0.3 36,-0.1 0.220 77.5 64.2-106.9 7.1 36.1 21.6 36.1 60 60 A Y S S- 0 0 65 2,-0.4 -2,-0.1 34,-0.2 34,-0.1 -0.537 104.2 -82.4-125.5-175.1 36.3 18.5 38.4 61 61 A Y S S+ 0 0 208 -2,-0.2 2,-0.3 2,-0.1 -3,-0.0 0.691 112.7 26.6 -72.6 -14.4 38.6 15.5 38.9 62 62 A S - 0 0 43 2,-0.1 -2,-0.4 1,-0.1 -3,-0.2 -0.964 57.4-148.7-139.7 155.9 37.0 13.7 36.0 63 63 A S + 0 0 47 -2,-0.3 -21,-0.6 -5,-0.1 -6,-0.1 0.370 69.6 112.2 -97.5 -0.8 35.1 14.5 32.8 64 64 A R S S- 0 0 52 -23,-0.1 2,-1.0 1,-0.1 -21,-0.1 -0.402 77.2-116.7 -68.5 149.0 33.1 11.3 33.2 65 65 A D + 0 0 8 1,-0.1 -24,-0.2 -23,-0.1 -1,-0.1 -0.777 38.5 170.0 -82.5 99.7 29.4 11.7 34.0 66 66 A G S S+ 0 0 42 -2,-1.0 -1,-0.1 -26,-0.4 -25,-0.1 0.311 74.4 49.2 -93.3 9.4 29.1 10.1 37.4 67 67 A N S S- 0 0 45 -27,-0.2 146,-0.1 30,-0.0 -1,-0.1 0.784 89.2-137.0-110.5 -57.3 25.5 11.3 37.8 68 68 A G S > S+ 0 0 0 144,-0.1 4,-2.4 -28,-0.1 5,-0.2 -0.028 77.2 99.3 119.8 -29.2 23.5 10.5 34.6 69 69 A H H > S+ 0 0 37 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.913 86.0 44.1 -57.4 -47.5 21.7 13.8 34.2 70 70 A G H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.869 112.9 53.0 -68.6 -35.3 24.0 15.2 31.5 71 71 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 140,-0.3 0.921 109.1 49.8 -67.1 -37.5 24.0 11.8 29.7 72 72 A H H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 139,-0.3 0.954 112.4 45.8 -65.1 -50.5 20.2 11.8 29.7 73 73 A C H X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.3 0.938 111.8 51.9 -57.1 -47.0 20.0 15.4 28.3 74 74 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.3 5,-0.4 0.877 107.2 54.9 -57.4 -39.8 22.7 14.6 25.7 75 75 A G H X S+ 0 0 0 -4,-2.0 4,-1.9 1,-0.2 -1,-0.3 0.881 106.8 49.3 -62.9 -37.0 20.7 11.5 24.7 76 76 A T H < S+ 0 0 0 -4,-2.0 8,-2.2 -3,-0.3 -1,-0.2 0.862 112.9 49.0 -72.1 -31.8 17.6 13.7 24.1 77 77 A V H < S- 0 0 0 -4,-1.9 8,-2.8 6,-0.2 -2,-0.2 0.948 137.8 -14.8 -64.9 -47.6 19.7 16.0 22.0 78 78 A G H < S+ 0 0 0 -4,-2.7 -3,-0.2 5,-0.2 -2,-0.2 0.341 81.1 132.8-153.7 13.3 21.4 13.5 19.8 79 79 A S X - 0 0 0 -4,-1.9 4,-1.5 -5,-0.4 -30,-0.2 -0.415 61.8-115.9 -72.6 157.3 21.3 9.8 20.6 80 80 A R T 4 S+ 0 0 113 -32,-2.6 -1,-0.1 1,-0.2 6,-0.1 0.873 110.1 21.9 -60.2 -39.0 20.4 7.4 17.9 81 81 A T T 4 S+ 0 0 48 -33,-0.2 -1,-0.2 1,-0.1 5,-0.0 0.825 135.2 30.6 -98.0 -39.4 17.3 6.2 19.6 82 82 A Y T 4 S+ 0 0 34 -34,-0.1 2,-0.2 -76,-0.1 -2,-0.2 0.468 98.3 100.9-105.4 1.7 16.3 8.9 22.1 83 83 A G < - 0 0 0 -4,-1.5 3,-0.3 1,-0.1 -6,-0.2 -0.569 58.1-149.8-103.8 150.6 17.6 12.0 20.3 84 84 A V S S+ 0 0 0 -8,-2.2 2,-0.7 1,-0.2 -6,-0.2 0.906 99.6 39.6 -73.4 -45.5 16.0 14.8 18.2 85 85 A A S > S- 0 0 0 -8,-2.8 3,-1.5 -9,-0.2 -1,-0.2 -0.822 72.5-177.3-115.9 89.1 19.1 15.4 16.1 86 86 A K T 3 S+ 0 0 13 -2,-0.7 -56,-0.2 1,-0.3 -1,-0.1 0.521 77.6 40.5 -81.5 -6.9 20.5 12.0 15.4 87 87 A K T 3 S+ 0 0 49 -58,-3.0 -55,-0.5 2,-0.1 -1,-0.3 0.223 85.3 117.5-124.8 15.4 23.5 13.0 13.5 88 88 A T < - 0 0 0 -3,-1.5 2,-0.5 -59,-0.4 -54,-0.2 -0.364 67.5-111.7 -73.7 164.0 24.8 16.1 15.4 89 89 A Q E -c 34 0B 66 -56,-1.7 -54,-2.9 -59,-0.3 2,-0.5 -0.840 31.2-149.6 -94.0 131.8 28.1 16.3 17.2 90 90 A L E -cd 35 53B 0 -38,-2.7 -36,-1.6 -2,-0.5 2,-0.5 -0.906 11.2-169.3-112.9 128.9 27.8 16.4 20.9 91 91 A F E -cd 36 54B 13 -56,-1.9 -54,-2.7 -2,-0.5 2,-0.4 -0.978 12.2-146.5-121.6 122.2 30.3 18.2 23.2 92 92 A G E -cd 37 55B 0 -38,-2.8 -36,-3.2 -2,-0.5 -35,-1.5 -0.745 14.2-177.1 -94.0 130.1 30.3 17.7 26.9 93 93 A V E -cd 38 57B 0 -56,-2.3 -54,-2.1 -2,-0.4 2,-1.2 -0.955 17.7-149.1-123.8 109.5 31.2 20.5 29.3 94 94 A K E +cd 39 58B 2 -37,-2.8 -35,-1.5 -2,-0.4 -54,-0.2 -0.706 40.9 144.5 -90.1 95.4 31.1 19.3 33.0 95 95 A V + 0 0 0 -56,-1.3 2,-0.4 -2,-1.2 -1,-0.2 0.513 62.4 68.8 -95.3 -14.7 30.2 22.4 35.1 96 96 A L S S- 0 0 9 -57,-2.1 6,-0.2 -3,-0.2 -57,-0.1 -0.870 80.8-127.7-112.3 137.0 28.2 20.2 37.4 97 97 A D > - 0 0 51 4,-3.4 3,-2.6 -2,-0.4 -2,-0.1 -0.107 39.5 -88.8 -75.4 179.0 29.6 17.6 39.8 98 98 A D T 3 S+ 0 0 45 1,-0.3 -1,-0.1 2,-0.2 -58,-0.1 0.582 129.8 57.0 -72.8 -5.6 28.5 14.0 40.1 99 99 A N T 3 S- 0 0 102 2,-0.2 -1,-0.3 -32,-0.0 3,-0.1 0.418 120.4-111.2 -95.1 -4.8 25.9 15.1 42.6 100 100 A G S < S+ 0 0 31 -3,-2.6 2,-0.3 1,-0.3 -2,-0.2 0.593 78.8 119.1 91.7 8.4 24.5 17.5 40.0 101 101 A S + 0 0 68 -61,-0.0 -4,-3.4 32,-0.0 -1,-0.3 -0.750 34.3 173.3-107.6 160.1 25.5 20.6 41.8 102 102 A G - 0 0 29 -2,-0.3 2,-0.1 -6,-0.2 -6,-0.1 -0.951 33.1-108.7-162.7 145.1 27.8 23.4 40.6 103 103 A Q > - 0 0 74 -2,-0.3 4,-2.2 -8,-0.2 3,-0.3 -0.426 29.5-126.2 -65.0 141.1 29.0 26.9 41.6 104 104 A Y H > S+ 0 0 64 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.860 111.3 59.7 -60.4 -32.9 27.7 29.8 39.5 105 105 A S H > S+ 0 0 85 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.930 107.1 46.5 -61.7 -40.7 31.3 30.8 39.0 106 106 A T H > S+ 0 0 29 -3,-0.3 4,-2.4 2,-0.2 -2,-0.2 0.908 111.6 50.4 -66.0 -41.8 32.0 27.4 37.4 107 107 A I H X S+ 0 0 6 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.906 110.5 50.1 -63.7 -41.2 28.9 27.6 35.2 108 108 A I H X S+ 0 0 30 -4,-2.7 4,-2.6 1,-0.2 5,-0.3 0.924 109.1 51.5 -63.2 -45.6 29.8 31.0 34.0 109 109 A A H X S+ 0 0 40 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.928 108.7 52.2 -56.6 -41.3 33.3 29.8 33.1 110 110 A G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -1,-0.2 0.893 108.3 50.9 -62.2 -39.2 31.7 26.9 31.2 111 111 A M H X S+ 0 0 7 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.943 112.4 44.0 -64.5 -50.8 29.5 29.3 29.2 112 112 A D H X S+ 0 0 60 -4,-2.6 4,-1.5 1,-0.2 5,-0.2 0.881 110.0 59.8 -63.5 -32.6 32.4 31.6 28.2 113 113 A F H X S+ 0 0 48 -4,-2.3 4,-3.3 -5,-0.3 3,-0.4 0.936 105.8 46.8 -53.0 -51.8 34.3 28.4 27.5 114 114 A V H X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 -2,-0.2 0.924 104.4 59.5 -63.3 -42.5 31.8 27.4 24.9 115 115 A A H < S+ 0 0 16 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.880 118.8 31.9 -53.7 -36.6 31.6 30.8 23.3 116 116 A S H >< S+ 0 0 75 -4,-1.5 3,-1.7 -3,-0.4 -2,-0.2 0.848 112.4 60.5 -84.1 -41.9 35.4 30.4 22.5 117 117 A D H >< S+ 0 0 9 -4,-3.3 3,-2.7 1,-0.3 -3,-0.2 0.790 88.1 72.5 -65.6 -26.5 35.7 26.7 22.1 118 118 A K G >< S+ 0 0 31 -4,-1.9 3,-1.6 1,-0.3 -1,-0.3 0.820 88.5 64.4 -58.5 -26.7 33.3 26.6 19.2 119 119 A N G < S+ 0 0 121 -3,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.533 99.9 53.3 -74.2 -2.9 36.1 28.2 17.2 120 120 A N G < S+ 0 0 116 -3,-2.7 2,-0.3 -4,-0.1 -1,-0.3 0.242 102.7 72.9-110.0 10.6 38.0 25.0 17.8 121 121 A R S < S- 0 0 82 -3,-1.6 2,-0.8 -4,-0.1 -87,-0.1 -0.865 80.5-119.4-126.3 154.4 35.3 22.8 16.4 122 122 A N + 0 0 151 -2,-0.3 -90,-0.1 1,-0.1 3,-0.1 -0.844 49.3 144.7 -96.0 108.7 33.9 22.1 12.9 123 123 A a > + 0 0 20 -2,-0.8 3,-1.4 -5,-0.2 -89,-0.2 -0.552 9.3 164.5-142.4 60.9 30.2 23.1 13.0 124 124 A P T 3 S+ 0 0 108 0, 0.0 -91,-0.2 0, 0.0 3,-0.1 0.791 79.1 50.0 -60.7 -24.7 29.5 24.4 9.5 125 125 A K T 3 S- 0 0 109 -93,-2.5 -92,-0.2 1,-0.3 2,-0.2 0.533 122.4 -87.7 -92.8 -8.2 25.7 24.2 10.1 126 126 A G E < -b 33 0B 19 -3,-1.4 -92,-1.8 -94,-0.6 2,-0.4 -0.514 35.2 -89.7 123.8 172.7 25.8 26.0 13.4 127 127 A V E -be 34 153B 12 25,-0.5 27,-2.6 -94,-0.2 2,-0.3 -0.952 27.3-175.3-128.4 133.3 26.3 25.7 17.1 128 128 A V E -be 35 154B 0 -94,-2.5 -92,-3.4 -2,-0.4 2,-0.4 -0.940 9.0-157.8-125.5 145.9 23.8 25.1 20.0 129 129 A A E -be 36 155B 1 25,-2.6 27,-2.8 -2,-0.3 2,-0.5 -0.998 7.1-157.3-124.9 132.3 24.3 25.0 23.8 130 130 A S E -be 37 156B 1 -94,-3.6 -92,-2.2 -2,-0.4 2,-0.5 -0.942 6.7-171.9-114.5 124.8 21.9 23.2 26.0 131 131 A L E +be 38 157B 7 25,-2.6 27,-2.4 -2,-0.5 2,-1.4 -0.829 11.3 174.1-127.0 88.7 21.7 24.3 29.7 132 132 A S + 0 0 3 -94,-0.5 2,-0.3 -2,-0.5 92,-0.1 -0.476 59.2 77.4 -93.7 62.6 19.6 22.0 31.9 133 133 A L + 0 0 20 -2,-1.4 25,-0.3 25,-0.1 2,-0.2 -0.957 45.1 138.6-158.4 168.4 20.5 23.8 35.0 134 134 A G - 0 0 52 -2,-0.3 2,-0.2 37,-0.1 3,-0.1 -0.871 15.4-171.3 163.5 169.7 19.8 27.0 37.0 135 135 A G E -K 170 0C 23 35,-2.3 35,-2.1 1,-0.3 37,-0.2 -0.693 52.0 -19.9-152.5-145.8 19.3 28.5 40.4 136 136 A G E S-K 169 0C 43 33,-0.3 -1,-0.3 -2,-0.2 34,-0.3 -0.156 87.3 -65.8 -68.8 165.0 18.2 31.8 41.8 137 137 A Y + 0 0 133 31,-1.3 2,-0.3 32,-0.2 -1,-0.2 -0.266 58.6 168.8 -51.1 126.9 18.3 35.1 39.9 138 138 A S > - 0 0 19 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.954 27.5-158.7-137.6 123.5 21.9 36.2 39.1 139 139 A S H > S+ 0 0 79 -2,-0.3 4,-2.5 1,-0.2 5,-0.1 0.878 97.1 54.4 -67.7 -29.0 22.7 39.0 36.7 140 140 A S H > S+ 0 0 61 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.864 108.1 48.7 -74.7 -33.1 26.2 37.7 36.2 141 141 A V H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.919 113.1 47.4 -66.2 -42.4 24.8 34.2 35.2 142 142 A N H X S+ 0 0 6 -4,-2.2 4,-2.8 1,-0.2 -2,-0.2 0.903 109.0 54.8 -64.7 -40.1 22.4 35.8 32.8 143 143 A S H X S+ 0 0 55 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.892 106.5 50.7 -63.9 -37.0 25.1 38.0 31.4 144 144 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.901 110.5 49.5 -64.1 -41.4 27.2 34.9 30.6 145 145 A A H X S+ 0 0 0 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.911 110.7 50.5 -61.4 -42.7 24.3 33.3 28.9 146 146 A A H X S+ 0 0 21 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.927 109.0 51.2 -66.8 -41.2 23.7 36.5 26.9 147 147 A R H X S+ 0 0 97 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.913 109.4 50.3 -57.1 -45.9 27.4 36.6 25.9 148 148 A L H <>S+ 0 0 1 -4,-2.2 5,-1.2 2,-0.2 4,-0.3 0.943 114.1 44.8 -62.1 -43.1 27.3 33.0 24.7 149 149 A Q H ><5S+ 0 0 24 -4,-2.5 3,-2.3 1,-0.2 4,-0.5 0.954 111.8 52.2 -61.1 -51.3 24.1 33.7 22.6 150 150 A S H 3<5S+ 0 0 105 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.853 100.4 64.2 -52.8 -36.1 25.7 36.9 21.3 151 151 A S T 3<5S- 0 0 42 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.569 129.1 -90.8 -69.9 -11.2 28.7 34.9 20.2 152 152 A G T < 5S+ 0 0 33 -3,-2.3 -25,-0.5 1,-0.3 2,-0.5 0.677 85.4 126.7 107.8 25.4 26.6 33.0 17.8 153 153 A V E < -e 127 0B 0 -5,-1.2 2,-1.0 -4,-0.5 -1,-0.3 -0.940 61.5-125.6-110.8 132.0 25.4 30.0 19.8 154 154 A M E -e 128 0B 1 -27,-2.6 -25,-2.6 -2,-0.5 2,-0.6 -0.705 32.5-156.8 -74.7 107.3 21.8 29.0 20.1 155 155 A V E -e 129 0B 2 -2,-1.0 23,-2.7 -27,-0.2 2,-0.5 -0.791 14.1-176.7 -97.0 119.1 21.4 28.9 23.8 156 156 A A E -ef 130 178B 0 -27,-2.8 -25,-2.6 -2,-0.6 2,-0.3 -0.965 9.2-178.9-111.5 130.2 18.5 26.9 25.2 157 157 A V E -ef 131 179B 1 21,-2.7 23,-2.5 -2,-0.5 -25,-0.2 -0.954 29.4-106.3-132.6 146.0 18.0 26.9 29.0 158 158 A A E - f 0 180B 6 -27,-2.4 14,-0.2 -2,-0.3 23,-0.2 -0.469 16.1-142.1 -68.4 141.3 15.6 25.2 31.4 159 159 A A - 0 0 1 21,-2.4 22,-0.1 1,-0.2 -1,-0.1 0.773 52.2-111.9 -69.2 -29.4 12.8 27.3 32.9 160 160 A G - 0 0 18 20,-0.3 34,-2.5 34,-0.1 3,-0.2 -0.207 11.7-101.2 107.2 160.4 13.2 25.5 36.2 161 161 A N S S+ 0 0 57 32,-0.2 32,-0.2 1,-0.2 -1,-0.1 -0.285 84.7 102.3-111.2 36.3 11.1 23.0 38.2 162 162 A N S S- 0 0 81 2,-0.2 31,-0.2 -3,-0.1 -1,-0.2 0.350 82.3-125.8-100.5 2.7 9.6 25.3 40.9 163 163 A N S S+ 0 0 77 29,-2.3 2,-0.2 -3,-0.2 31,-0.2 0.920 79.2 102.8 41.7 50.8 6.0 25.8 39.5 164 164 A A S S- 0 0 28 28,-0.3 31,-2.3 -4,-0.1 2,-0.4 -0.832 85.7 -60.0-142.1-179.6 6.7 29.5 39.7 165 165 A D B > -l 195 0D 53 -2,-0.2 3,-1.5 29,-0.2 31,-0.2 -0.570 38.5-141.5 -75.5 130.6 7.6 32.4 37.5 166 166 A A G > S+ 0 0 0 29,-3.5 3,-1.9 -2,-0.4 7,-0.2 0.601 86.6 90.6 -70.1 -11.9 10.9 31.9 35.8 167 167 A R G 3 S+ 0 0 53 28,-0.3 -1,-0.3 1,-0.3 6,-0.1 0.704 83.4 54.9 -54.8 -21.1 11.8 35.5 36.2 168 168 A N G < S+ 0 0 104 -3,-1.5 -31,-1.3 -31,-0.1 2,-0.3 0.156 99.5 73.1-103.4 18.7 13.4 34.7 39.6 169 169 A Y E <> S-K 136 0C 58 -3,-1.9 4,-2.2 -33,-0.3 -33,-0.3 -0.946 76.8-103.1-131.4 152.8 15.8 32.1 38.2 170 170 A S E 4 S+K 135 0C 1 -35,-2.1 -35,-2.3 -2,-0.3 -31,-0.1 -0.961 93.6 3.0-129.5 148.9 19.0 32.2 36.2 171 171 A P T >4 S+ 0 0 1 0, 0.0 3,-2.0 0, 0.0 -1,-0.2 -0.976 122.9 70.6 -78.9 10.8 19.8 31.7 33.4 172 172 A A T 34 S+ 0 0 2 1,-0.3 -2,-0.2 -14,-0.2 -15,-0.1 0.840 97.0 55.1 -44.7 -42.5 16.1 31.0 32.8 173 173 A S T 3< S+ 0 0 13 -4,-2.2 -1,-0.3 -7,-0.2 -3,-0.1 0.495 76.3 113.7 -80.2 -4.5 15.4 34.7 33.3 174 174 A E X - 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