==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-NOV-02 1N8S . COMPND 2 MOLECULE: TRIACYLGLYCEROL LIPASE, PANCREATIC; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.VAN TILBEURGH,L.SARDA,R.VERGER,C.CAMBILLAU . 534 2 11 11 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22763.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 351 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 93 17.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 5 0.9 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 . 60 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 54 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 72 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 0.9 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 3 1 1 0 0 0 0 0 2 0 1 0 0 0 0 0 0 0 0 0 0 0 1 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 . 4 5 2 1 2 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 ANTIPARALLEL BRIDGES PER LADDER . 1 1 1 1 1 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 K 0 0 208 0, 0.0 2,-0.3 0, 0.0 13,-0.1 0.000 360.0 360.0 360.0-107.0 36.0 34.7 120.5 2 2 A E - 0 0 106 10,-0.1 2,-0.3 11,-0.1 10,-0.2 -0.773 360.0-162.3-153.8 174.1 38.9 32.3 119.5 3 3 A V - 0 0 48 -2,-0.3 8,-2.7 2,-0.0 2,-0.3 -0.922 3.5-154.1-164.1 138.9 38.7 28.5 120.1 4 4 A a E -A 10 0A 65 -2,-0.3 2,-0.3 6,-0.3 6,-0.3 -0.937 8.2-163.5-124.8 159.7 41.6 26.1 120.2 5 5 A Y E > -A 9 0A 63 4,-2.5 4,-1.6 -2,-0.3 2,-0.2 -0.930 34.0 -84.6-139.9 155.5 41.7 22.4 119.5 6 6 A E T 4 S- 0 0 149 -2,-0.3 2,-2.1 1,-0.2 0, 0.0 -0.426 106.5 -14.2 -64.4 124.2 43.9 19.5 120.0 7 7 A R T 4 S+ 0 0 118 1,-0.2 -1,-0.2 -2,-0.2 3,-0.1 -0.339 126.1 70.9 82.2 -52.7 46.4 19.4 117.3 8 8 A L T 4 S- 0 0 13 -2,-2.1 2,-0.3 1,-0.2 -1,-0.2 0.701 91.8-139.8 -75.4 -18.9 44.9 21.8 114.8 9 9 A G E < -A 5 0A 31 -4,-1.6 -4,-2.5 2,-0.1 2,-0.4 -0.665 40.7 -27.7 101.5-152.5 45.6 24.9 116.9 10 10 A a E -A 4 0A 64 -2,-0.3 2,-0.6 -6,-0.3 -6,-0.3 -0.839 42.6-152.8-115.3 142.2 43.4 27.8 117.4 11 11 A F - 0 0 3 -8,-2.7 -2,-0.1 -2,-0.4 113,-0.0 -0.942 17.3-156.3-121.7 101.7 40.8 29.2 115.2 12 12 A S - 0 0 28 -2,-0.6 -10,-0.1 -10,-0.2 -1,-0.1 0.579 11.9-142.9 -46.4-160.4 40.1 32.9 115.6 13 13 A D + 0 0 26 2,-0.1 -11,-0.1 -12,-0.1 14,-0.1 0.216 55.3 122.7-161.4 9.3 36.8 34.8 114.7 14 14 A D > - 0 0 92 1,-0.1 4,-2.2 3,-0.1 6,-0.1 -0.005 65.4 -57.0 -72.4 166.4 38.1 38.0 113.4 15 15 A S T 4 S+ 0 0 73 2,-0.3 -1,-0.1 1,-0.2 4,-0.1 -0.761 122.5 37.3 -74.7 136.6 37.7 39.7 110.1 16 16 A P T 4 S+ 0 0 30 0, 0.0 4,-0.3 0, 0.0 -1,-0.2 -0.913 121.5 48.3 -86.1 -27.0 38.4 38.4 107.6 17 17 A W T 4 S- 0 0 25 2,-0.1 2,-0.3 -2,-0.0 -2,-0.3 0.712 130.4 -0.8 -39.2 -37.0 37.1 35.1 108.9 18 18 A S S < S+ 0 0 1 -4,-2.2 2,-0.9 8,-0.1 7,-0.2 -0.967 116.4 45.4-154.3 161.5 34.0 36.5 110.1 19 19 A G S S+ 0 0 26 5,-2.0 -4,-0.1 4,-0.4 -2,-0.1 -0.591 76.3 113.2 97.0 -69.2 32.4 39.9 110.2 20 20 A I S > S- 0 0 35 -2,-0.9 3,-1.4 -4,-0.3 -1,-0.3 0.134 82.8-101.1 -39.7 151.7 33.2 41.0 106.5 21 21 A T T 3 S+ 0 0 127 1,-0.3 4,-0.1 -3,-0.1 -1,-0.1 0.708 118.9 51.4 -53.7 -28.9 30.1 41.5 104.3 22 22 A E T 3 S+ 0 0 75 1,-0.3 160,-0.4 2,-0.1 -1,-0.3 0.824 128.3 21.7 -80.2 -32.7 30.4 38.2 102.5 23 23 A R S < S+ 0 0 11 -3,-1.4 -4,-0.4 -7,-0.2 -1,-0.3 -0.851 80.4 152.6-131.9 82.7 30.7 36.2 105.6 24 24 A P + 0 0 68 0, 0.0 -5,-2.0 0, 0.0 -1,-0.1 0.973 41.6 85.1 -83.8 -61.9 29.1 38.5 108.3 25 25 A L S S- 0 0 108 -7,-0.2 2,-0.9 1,-0.1 -6,-0.1 -0.011 80.4-124.2 -35.5 127.6 27.8 36.2 111.0 26 26 A H + 0 0 113 -8,-0.1 2,-0.4 -7,-0.1 -1,-0.1 -0.683 47.0 154.9 -88.3 108.1 30.3 35.2 113.5 27 27 A I - 0 0 39 -2,-0.9 90,-0.0 -10,-0.2 0, 0.0 -0.930 27.6-151.0-119.8 153.6 30.4 31.4 113.5 28 28 A L - 0 0 46 -2,-0.4 2,-0.7 -26,-0.0 93,-0.2 -0.838 34.4 -83.8-120.6 165.4 33.5 29.5 114.6 29 29 A P - 0 0 2 0, 0.0 -18,-0.1 0, 0.0 6,-0.1 -0.549 40.5-117.8 -73.8 106.7 34.5 26.1 113.4 30 30 A W - 0 0 77 -2,-0.7 94,-0.1 87,-0.1 80,-0.0 -0.060 51.7 -88.8 -13.7 148.3 32.9 23.0 115.1 31 30BA S >> - 0 0 19 1,-0.1 4,-2.9 -3,-0.1 3,-1.0 -0.253 34.3 -99.1 -74.4 160.2 35.7 21.1 116.6 32 31 A P H 3> S+ 0 0 13 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.962 121.3 50.0 -54.0 -41.4 37.8 18.4 115.1 33 32 A K H 34 S+ 0 0 166 1,-0.3 -3,-0.0 2,-0.2 76,-0.0 0.802 114.3 46.9 -76.1 -16.1 35.8 15.5 116.6 34 33 A D H <4 S+ 0 0 97 -3,-1.0 -1,-0.3 1,-0.1 -4,-0.1 0.881 114.5 43.9 -82.7 -42.2 32.7 17.0 115.5 35 34 A V H < S- 0 0 0 -4,-2.9 75,-2.1 -3,-0.2 76,-0.3 0.945 91.6-164.5 -60.6 -55.1 33.9 17.7 111.9 36 35 A N < - 0 0 88 -4,-2.8 2,-0.5 -5,-0.3 73,-0.3 0.901 6.7-162.3 70.0 49.1 35.4 14.3 111.8 37 36 A T - 0 0 13 -5,-0.2 2,-0.3 70,-0.2 70,-0.2 -0.519 9.2-170.8 -53.4 107.1 37.8 14.3 108.9 38 37 A R E -B 106 0B 66 68,-1.7 68,-2.5 -2,-0.5 2,-0.7 -0.823 15.2-143.9 -92.0 142.7 38.5 10.6 108.1 39 38 A F E -BC 105 53B 13 14,-0.6 14,-1.4 -2,-0.3 2,-0.6 -0.912 14.9-166.0-105.3 109.8 41.2 9.9 105.6 40 39 A L E -BC 104 52B 16 64,-2.4 64,-2.3 -2,-0.7 2,-0.5 -0.838 11.9-149.6 -94.1 120.2 40.2 6.9 103.5 41 40 A L E +BC 103 51B 0 10,-1.9 10,-2.4 -2,-0.6 2,-0.4 -0.801 18.9 176.4 -97.8 128.7 43.2 5.6 101.5 42 41 A Y E +B 102 0B 33 60,-2.6 60,-3.1 -2,-0.5 2,-0.3 -0.951 8.1 171.2-123.9 145.0 43.0 3.9 98.2 43 42 A T E > -BC 101 46B 0 3,-2.4 3,-1.1 -2,-0.4 58,-0.2 -0.961 51.3 -94.2-143.9 166.9 46.0 2.7 96.2 44 43 A N T 3 S+ 0 0 45 56,-0.6 -1,-0.1 -2,-0.3 4,-0.1 0.902 128.3 50.4 -43.9 -46.0 46.8 0.7 93.1 45 44 A E T 3 S+ 0 0 91 1,-0.3 -1,-0.3 19,-0.2 3,-0.1 0.692 122.7 29.5 -76.0 -25.7 47.2 -2.2 95.5 46 45 A N E < S+C 43 0B 19 -3,-1.1 -3,-2.4 1,-0.1 -1,-0.3 -0.816 76.8 161.8-130.2 91.4 43.8 -1.7 97.1 47 46 A P E S+ 0 0 57 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.852 70.4 22.0 -77.3 -36.4 41.8 -0.2 94.4 48 47 A N E S+ 0 0 129 1,-0.2 2,-0.4 -3,-0.1 -6,-0.1 0.269 112.3 57.9-126.9 10.9 38.4 -0.7 95.6 49 48 A N E S- 0 0 127 -8,-0.1 -1,-0.2 2,-0.0 2,-0.0 -0.957 78.0-136.2-140.3 120.1 38.3 -1.1 99.3 50 49 A F E - 0 0 73 -2,-0.4 2,-0.4 -8,-0.1 -8,-0.2 -0.301 6.1-148.7 -79.0 164.8 39.7 1.7 101.3 51 50 A Q E -C 41 0B 52 -10,-2.4 -10,-1.9 -5,-0.1 2,-0.6 -0.991 21.9-126.9-131.0 123.5 42.0 1.5 104.3 52 51 A E E +C 40 0B 99 -2,-0.4 -12,-0.2 -12,-0.2 2,-0.2 -0.559 34.6 176.9 -72.0 108.0 41.7 4.3 106.9 53 52 A V E -C 39 0B 4 -14,-1.4 -14,-0.6 -2,-0.6 2,-0.3 -0.529 6.5-168.1-101.7-178.0 45.1 6.0 107.6 54 53 A A - 0 0 36 2,-0.3 2,-2.9 -2,-0.2 6,-0.5 -0.971 41.7 -77.2-163.9 159.2 45.9 8.9 109.9 55 54 A A S S+ 0 0 21 -2,-0.3 2,-0.3 4,-0.1 3,-0.1 -0.070 97.0 79.5 -57.6 42.1 48.7 11.3 110.7 56 55 A D S >> S- 0 0 79 -2,-2.9 3,-2.2 1,-0.1 4,-1.9 -0.998 82.4-113.6-148.2 151.9 50.9 8.9 112.8 57 56 A S H 3> S+ 0 0 59 -2,-0.3 4,-2.7 1,-0.3 5,-0.2 0.835 109.3 62.1 -56.6 -39.0 53.3 6.0 112.2 58 57 A S H 34 S+ 0 0 120 1,-0.2 -1,-0.3 2,-0.2 4,-0.2 0.591 113.1 40.4 -70.1 0.0 51.3 3.2 113.6 59 58 A S H <4 S+ 0 0 35 -3,-2.2 3,-0.5 -5,-0.3 4,-0.5 0.786 120.1 40.4-104.4 -55.7 48.6 4.0 110.9 60 59 A I H >< S+ 0 0 8 -4,-1.9 3,-1.9 -6,-0.5 5,-0.3 0.939 102.7 75.5 -61.3 -44.5 50.9 4.7 108.0 61 60 A S T 3< S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.3 -3,-0.1 0.679 99.5 31.0 -54.7 -38.2 53.3 1.9 108.7 62 61 A G T 3 S+ 0 0 84 -3,-0.5 -1,-0.3 -5,-0.2 -2,-0.1 0.625 104.5 99.6 -90.6 0.8 51.6 -1.3 107.7 63 62 A S S < S- 0 0 25 -3,-1.9 -4,-0.0 -4,-0.5 -3,-0.0 -0.211 86.3-106.8 -93.8 169.7 49.6 0.2 104.9 64 63 A N S S+ 0 0 47 -23,-0.1 2,-0.2 2,-0.1 -19,-0.2 0.514 79.2 120.0 -64.3 -5.9 49.7 0.5 101.2 65 64 A F - 0 0 11 -5,-0.3 2,-0.4 -22,-0.1 -22,-0.1 -0.514 49.7-165.6 -61.1 131.7 50.6 4.2 101.6 66 65 A K > - 0 0 71 -2,-0.2 3,-1.1 4,-0.1 35,-0.1 -0.948 24.1-150.9-128.3 130.2 54.0 4.4 99.8 67 66 A T T 3 S+ 0 0 70 -2,-0.4 4,-0.1 1,-0.2 -1,-0.1 0.482 89.9 65.0 -81.8 2.7 56.5 7.2 100.0 68 67 A N T 3 S+ 0 0 136 2,-0.1 2,-0.3 74,-0.0 -1,-0.2 0.342 99.0 54.0-106.9 9.1 58.0 6.7 96.6 69 68 A R S < S- 0 0 17 -3,-1.1 31,-0.1 1,-0.0 77,-0.1 -0.876 96.1 -87.7-134.2 163.4 54.9 7.6 94.6 70 69 A K E -d 100 0B 88 29,-0.5 31,-2.8 -2,-0.3 2,-0.4 -0.320 29.5-141.7 -79.4 160.6 52.7 10.8 94.8 71 70 A T E -de 101 147B 0 75,-2.1 77,-1.8 29,-0.2 2,-0.4 -0.962 18.0-178.8-118.2 131.4 49.8 11.3 97.2 72 71 A R E -de 102 148B 6 29,-2.7 31,-1.8 -2,-0.4 2,-0.4 -0.999 11.1-154.7-137.7 134.1 46.8 13.1 96.0 73 72 A F E -de 103 149B 0 75,-2.6 77,-2.8 -2,-0.4 2,-0.6 -0.846 4.4-151.3-107.1 141.7 43.8 13.8 98.3 74 73 A I E -de 104 150B 0 29,-1.9 31,-2.8 -2,-0.4 2,-0.6 -0.942 13.0-166.6-116.5 110.5 40.3 14.3 97.0 75 74 A I E -de 105 151B 0 75,-3.6 77,-1.7 -2,-0.6 31,-0.1 -0.881 11.4-149.0 -95.4 119.2 38.3 16.7 99.4 76 75 A H + 0 0 0 29,-1.0 79,-0.2 -2,-0.6 2,-0.2 -0.045 22.6 169.9 -73.5-169.6 34.5 16.7 98.8 77 76 A G + 0 0 1 1,-0.2 76,-0.2 77,-0.2 -1,-0.1 -0.515 67.6 23.7-163.2-127.8 32.0 19.6 99.3 78 77 A F S S- 0 0 17 -2,-0.2 2,-0.7 1,-0.1 -1,-0.2 -0.113 70.2-165.1 -46.5 116.4 28.3 19.3 98.0 79 78 A I - 0 0 43 -3,-0.1 5,-0.1 7,-0.0 3,-0.1 -0.893 9.1-148.4-114.3 112.3 27.5 15.5 97.6 80 79 A D - 0 0 51 -2,-0.7 4,-0.3 1,-0.1 3,-0.2 -0.327 32.9 -83.6 -75.8 164.9 24.5 14.9 95.5 81 80 A K S S+ 0 0 182 1,-0.3 2,-1.3 2,-0.2 -1,-0.1 -0.337 122.9 14.8 -60.2 139.0 22.1 12.0 96.0 82 81 A G S > S+ 0 0 44 1,-0.1 3,-0.9 -3,-0.1 -1,-0.3 -0.207 107.3 94.5 80.7 -44.8 23.6 9.0 94.2 83 82 A E G > + 0 0 42 -2,-1.3 3,-1.9 1,-0.2 4,-0.3 0.457 45.6 106.9 -67.6 3.4 27.0 11.0 94.0 84 83 A E G > S+ 0 0 97 -4,-0.3 3,-0.7 1,-0.3 4,-0.3 0.843 76.4 55.5 -45.2 -44.5 28.5 9.4 97.1 85 84 A N G X> S+ 0 0 111 -3,-0.9 4,-1.9 1,-0.2 3,-0.9 0.655 77.5 97.5 -65.4 -20.9 30.9 7.3 95.0 86 85 A W H <> S+ 0 0 6 -3,-1.9 4,-1.6 1,-0.2 -1,-0.2 0.769 78.5 54.6 -47.6 -32.3 32.5 10.1 93.0 87 86 A L H <> S+ 0 0 14 -3,-0.7 4,-1.5 -4,-0.3 -1,-0.2 0.948 109.3 49.2 -73.7 -34.7 35.6 10.4 95.2 88 87 A A H <> S+ 0 0 29 -3,-0.9 4,-2.4 -4,-0.3 3,-0.4 0.939 105.4 57.2 -67.0 -41.9 36.3 6.8 94.7 89 88 A N H X S+ 0 0 68 -4,-1.9 4,-2.3 1,-0.3 -1,-0.2 0.874 100.8 55.8 -62.6 -36.6 35.9 7.0 90.9 90 89 A V H X S+ 0 0 0 -4,-1.6 4,-1.6 2,-0.2 -1,-0.3 0.923 110.2 48.4 -58.3 -40.5 38.5 9.7 90.6 91 90 A b H >X S+ 0 0 0 -4,-1.5 4,-2.2 -3,-0.4 3,-0.6 0.980 105.6 56.3 -63.4 -49.4 40.8 7.1 92.4 92 91 A K H 3X S+ 0 0 79 -4,-2.4 4,-1.0 1,-0.3 -2,-0.2 0.901 109.7 45.9 -50.5 -50.7 39.9 4.2 90.1 93 92 A N H 3X S+ 0 0 10 -4,-2.3 4,-0.7 2,-0.2 3,-0.4 0.843 105.8 59.0 -63.7 -31.8 40.9 6.3 87.0 94 93 A L H XX S+ 0 0 0 -4,-1.6 4,-1.8 -3,-0.6 3,-1.5 0.959 104.6 53.0 -62.0 -33.8 44.2 7.4 88.6 95 94 A F H 3< S+ 0 0 29 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.803 98.5 63.2 -71.6 -26.3 45.0 3.8 88.9 96 95 A K H 3< S+ 0 0 130 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.699 121.8 20.8 -67.1 -18.7 44.3 3.2 85.2 97 96 A V H << S+ 0 0 64 -3,-1.5 2,-0.3 -4,-0.7 -2,-0.2 0.473 126.6 18.2-130.4 -2.3 47.2 5.6 84.3 98 97 A E < - 0 0 51 -4,-1.8 2,-0.7 -5,-0.1 -1,-0.2 -0.989 67.9-103.9-163.7 166.4 49.6 5.7 87.4 99 98 A S + 0 0 67 -2,-0.3 -29,-0.5 -3,-0.1 2,-0.4 -0.879 58.2 162.3 -91.6 113.3 50.8 4.4 90.8 100 99 A V E - d 0 70B 0 -2,-0.7 2,-0.9 -31,-0.1 -56,-0.6 -0.993 51.8-132.4-147.1 149.8 49.3 6.6 93.4 101 100 A N E -Bd 43 71B 0 -31,-2.8 -29,-2.7 -2,-0.4 2,-0.9 -0.828 35.6-169.7 -85.2 106.0 48.3 7.1 97.0 102 101 A b E -Bd 42 72B 0 -60,-3.1 -60,-2.6 -2,-0.9 2,-0.8 -0.837 5.0-176.2-108.2 98.3 44.8 8.2 96.5 103 102 A I E -Bd 41 73B 0 -31,-1.8 -29,-1.9 -2,-0.9 2,-0.4 -0.832 10.3-158.9 -92.8 106.4 43.5 9.5 99.8 104 103 A C E -Bd 40 74B 8 -64,-2.3 -64,-2.4 -2,-0.8 2,-0.5 -0.762 15.8-139.8 -78.0 137.9 39.8 10.6 99.7 105 104 A V E -Bd 39 75B 1 -31,-2.8 -29,-1.0 -2,-0.4 2,-0.3 -0.824 15.9-162.6-100.2 125.6 39.1 13.0 102.6 106 105 A D E +B 38 0B 21 -68,-2.5 -68,-1.7 -2,-0.5 -31,-0.0 -0.812 27.9 151.3-105.5 144.4 35.7 12.4 104.3 107 106 A W > + 0 0 0 -2,-0.3 4,-1.8 -70,-0.2 -70,-0.2 -0.136 17.3 142.3-162.0 49.1 34.1 15.1 106.6 108 107 A K H >> S+ 0 0 59 -72,-0.3 4,-2.2 1,-0.2 3,-0.6 0.955 71.9 59.9 -61.5 -41.5 30.5 14.4 106.2 109 108 A G H 34 S+ 0 0 15 1,-0.3 3,-0.3 -73,-0.3 -1,-0.2 0.855 110.1 39.6 -54.9 -49.4 30.1 15.2 109.9 110 109 A G H 34 S+ 0 0 0 -75,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.750 118.3 49.8 -71.5 -25.3 31.4 18.7 109.5 111 110 A S H << S+ 0 0 11 -4,-1.8 2,-1.4 -3,-0.6 -2,-0.2 0.673 87.5 82.4 -90.0 -20.6 29.6 19.3 106.1 112 111 A R S < S+ 0 0 160 -4,-2.2 2,-0.2 -3,-0.3 -1,-0.2 -0.646 83.3 67.5 -88.5 87.0 26.1 18.1 107.1 113 112 A T S S- 0 0 27 -2,-1.4 2,-0.1 137,-0.1 -3,-0.0 -0.845 98.7 -33.0-170.8-165.4 24.9 21.4 108.7 114 113 A G > - 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f 0 176B 0 -77,-1.7 3,-1.3 -2,-0.4 25,-0.2 -0.851 64.0 -22.6-112.2 143.6 35.1 20.4 94.9 153 152 A S T >> S- 0 0 0 23,-1.4 3,-2.0 -2,-0.3 4,-0.6 -0.427 140.6 -4.2 49.3-137.2 32.5 23.1 96.2 154 153 A L H >> S+ 0 0 0 1,-0.3 4,-1.4 24,-0.2 3,-1.2 0.835 130.5 70.7 -46.4 -39.9 33.6 24.1 99.8 155 154 A G H <> S+ 0 0 0 -3,-1.3 4,-3.2 1,-0.3 -1,-0.3 0.754 87.5 62.9 -49.2 -34.1 36.3 21.4 99.6 156 155 A A H <> S+ 0 0 0 -3,-2.0 4,-2.2 1,-0.2 -1,-0.3 0.972 106.0 44.4 -57.2 -49.2 38.2 23.5 97.2 157 156 A H H X S+ 0 0 0 -4,-1.4 4,-2.9 2,-0.2 3,-0.7 0.949 108.9 44.7 -62.8 -45.4 39.4 23.3 102.4 159 158 A A H 3X S+ 0 0 0 -4,-3.2 4,-3.0 1,-0.3 -2,-0.2 0.931 108.9 57.8 -67.1 -32.7 42.3 22.4 100.1 160 159 A G H 3X S+ 0 0 2 -4,-2.2 4,-1.0 -5,-0.2 -1,-0.3 0.772 108.8 45.0 -62.1 -34.9 43.0 26.1 99.9 161 160 A E H XX S+ 0 0 7 -4,-1.2 4,-2.4 -3,-0.7 3,-0.6 0.963 110.6 53.4 -71.8 -54.8 43.3 26.2 103.7 162 161 A A H 3X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 -2,-0.2 0.880 112.6 44.6 -45.7 -45.6 45.5 23.1 103.8 163 162 A G H 3<>S+ 0 0 0 -4,-3.0 5,-2.2 -5,-0.2 6,-0.4 0.873 109.9 55.9 -70.9 -32.4 47.8 24.6 101.3 164 163 A R H X<5S+ 0 0 77 -4,-1.0 3,-0.7 -3,-0.6 -1,-0.2 0.899 109.1 45.5 -64.7 -45.1 47.8 27.9 103.1 165 164 A R H 3<5S+ 0 0 58 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.913 110.1 53.3 -70.3 -41.9 48.9 26.3 106.4 166 165 A T T 3<5S- 0 0 6 -4,-2.6 3,-0.3 -5,-0.2 -1,-0.3 0.486 117.1-121.8 -69.4 3.6 51.6 24.3 104.5 167 166 A N T < 5 - 0 0 130 -3,-0.7 -3,-0.2 1,-0.2 -2,-0.1 0.953 58.7 -60.7 49.7 57.2 52.6 27.7 103.2 168 167 A G S > + 0 0 25 36,-2.2 3,-2.4 3,-0.1 4,-2.1 0.912 64.8 90.0 -81.0 -57.8 30.8 31.0 95.8 181 180 A P T 34 S+ 0 0 12 0, 0.0 -158,-0.1 0, 0.0 -159,-0.1 -0.174 105.7 5.2 -54.9 131.0 28.9 32.0 99.0 182 181 A C T 34 S+ 0 0 18 -160,-0.4 -160,-0.1 2,-0.1 -159,-0.1 0.229 130.3 60.6 77.4 -3.4 31.2 33.3 101.8 183 182 A F T X4 + 0 0 0 -3,-2.4 3,-1.3 -161,-0.1 2,-0.3 0.716 66.6 101.9-120.8 -21.5 34.2 33.1 99.5 184 183 A Q T 3< S- 0 0 49 -4,-2.1 -2,-0.1 1,-0.3 -4,-0.1 -0.478 105.4 -5.9 -75.5 127.4 34.0 35.3 96.4 185 184 A G T 3 S+ 0 0 47 -2,-0.3 -1,-0.3 1,-0.3 3,-0.1 0.491 100.9 131.7 71.5 0.9 36.0 38.5 96.7 186 185 A T S < S- 0 0 1 -3,-1.3 -1,-0.3 1,-0.1 5,-0.1 -0.511 72.2 -82.5 -74.9 154.6 36.7 37.5 100.3 187 186 A P >> - 0 0 50 0, 0.0 4,-0.8 0, 0.0 3,-0.7 -0.149 40.6-101.3 -64.4 163.9 40.4 38.0 100.9 188 187 A E T 34 S+ 0 0 102 1,-0.2 3,-0.1 2,-0.2 -2,-0.1 0.690 117.6 61.8 -53.2 -30.8 43.0 35.3 100.0 189 188 A L T 34 S+ 0 0 68 1,-0.2 -1,-0.2 3,-0.1 -25,-0.1 0.960 106.0 44.6 -57.5 -52.6 43.3 34.0 103.5 190 189 A V T <4 S+ 0 0 7 -3,-0.7 2,-0.2 2,-0.1 -1,-0.2 0.591 120.4 36.5 -71.9 -16.4 39.7 33.0 103.6 191 190 A R S < S- 0 0 28 -4,-0.8 2,-0.2 -3,-0.1 -7,-0.0 -0.810 89.4 -78.5-141.0 175.9 39.7 31.4 100.1 192 191 A L + 0 0 0 -2,-0.2 -35,-0.1 2,-0.1 -3,-0.1 -0.524 57.7 154.8 -78.2 135.5 41.5 29.3 97.4 193 192 A D > - 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