==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE ESTERASE) 16-NOV-95 1CUD . COMPND 2 MOLECULE: CUTINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: NECTRIA HAEMATOCOCCA MPVI; . AUTHOR S.LONGHI,C.CAMBILLAU . 591 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24449.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 443 75.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 77 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.4 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 . 50 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 108 18.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 168 28.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.5 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 5 1 0 0 0 0 1 2 3 1 2 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 3 4 5 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 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 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 3 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 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 17 A R 0 0 226 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 10.2 0.8 30.6 2 18 A T + 0 0 29 1,-0.1 30,-3.0 30,-0.1 31,-0.7 0.349 360.0 53.5 -87.9 6.8 8.3 2.0 27.5 3 19 A T + 0 0 73 27,-0.3 2,-0.4 28,-0.2 -1,-0.1 -0.981 58.6 174.5-145.3 126.9 7.8 -1.2 25.6 4 20 A R + 0 0 57 -2,-0.4 52,-2.3 53,-0.1 3,-0.2 -0.945 13.3 170.0-142.7 115.1 6.2 -4.4 27.0 5 21 A D B > +A 55 0A 52 -2,-0.4 4,-2.5 50,-0.2 50,-0.2 -0.455 27.6 138.5-120.7 57.0 5.4 -7.6 25.1 6 22 A D T 4 S+ 0 0 43 48,-2.1 49,-0.2 2,-0.2 -1,-0.2 0.883 77.7 44.3 -68.4 -40.4 4.5 -10.0 27.9 7 23 A L T >4 S+ 0 0 0 47,-0.2 3,-1.4 -3,-0.2 -1,-0.1 0.981 117.1 46.6 -64.1 -55.1 1.6 -11.5 26.0 8 24 A I T 34 S+ 0 0 56 1,-0.3 2,-0.3 -4,-0.1 -2,-0.2 0.908 117.8 38.2 -54.1 -58.8 3.5 -11.8 22.8 9 25 A N T 3< S+ 0 0 132 -4,-2.5 2,-0.3 2,-0.0 -1,-0.3 -0.118 101.5 113.1 -89.5 39.7 6.7 -13.3 24.1 10 26 A G < - 0 0 15 -3,-1.4 2,-0.4 -2,-0.3 5,-0.1 -0.825 57.3-136.3-117.4 157.4 4.8 -15.5 26.5 11 27 A N > - 0 0 89 -2,-0.3 3,-1.5 1,-0.1 -2,-0.0 -0.905 15.2-133.4-113.6 134.9 4.2 -19.3 27.0 12 28 A S G > S+ 0 0 76 -2,-0.4 3,-2.2 1,-0.3 2,-0.1 0.850 104.1 61.7 -46.6 -50.3 0.9 -21.0 27.9 13 29 A A G 3 S+ 0 0 95 1,-0.3 -1,-0.3 80,-0.0 80,-0.1 0.160 114.3 37.3 -68.6 20.2 2.4 -23.2 30.6 14 30 A S G < S+ 0 0 68 -3,-1.5 -1,-0.3 -2,-0.1 -2,-0.2 0.138 83.6 155.9-155.8 21.4 3.3 -20.0 32.4 15 31 A a < - 0 0 39 -3,-2.2 2,-0.1 77,-0.2 -3,-0.1 -0.067 41.4-121.9 -51.0 154.0 0.3 -17.8 31.7 16 32 A A - 0 0 7 1,-0.1 36,-0.2 2,-0.1 35,-0.2 -0.324 15.8-126.2 -87.4 172.1 -0.4 -14.9 34.1 17 33 A D S S+ 0 0 91 34,-2.0 80,-2.5 1,-0.2 2,-0.4 0.746 96.4 39.0 -90.6 -26.4 -3.9 -14.9 35.8 18 34 A V E -bc 52 97A 1 33,-1.4 35,-2.5 78,-0.2 2,-0.4 -0.953 68.5-164.6-127.6 137.8 -4.4 -11.3 34.6 19 35 A I E -bc 53 98A 0 78,-2.1 80,-2.9 -2,-0.4 2,-0.5 -0.987 3.1-160.8-125.5 132.9 -3.5 -9.7 31.3 20 36 A F E -bc 54 99A 0 33,-2.9 35,-3.2 -2,-0.4 2,-0.6 -0.946 2.3-168.9-113.7 123.5 -3.3 -5.9 30.5 21 37 A I E -bc 55 100A 0 78,-1.9 80,-2.2 -2,-0.5 2,-0.4 -0.949 11.2-171.0-114.6 107.1 -3.4 -4.6 26.9 22 38 A Y E -bc 56 101A 0 33,-1.3 35,-3.2 -2,-0.6 2,-0.5 -0.864 11.2-163.2-103.1 135.6 -2.6 -0.9 26.7 23 39 A A E - c 0 102A 0 78,-2.5 80,-1.4 -2,-0.4 87,-0.2 -0.953 22.2-144.7-120.3 109.1 -2.9 1.2 23.5 24 40 A R - 0 0 10 7,-0.6 82,-1.1 -2,-0.5 2,-0.2 0.247 15.9 -93.9 -64.2 178.8 -1.0 4.5 23.7 25 41 A G > - 0 0 1 80,-0.2 3,-2.1 79,-0.2 79,-0.2 -0.631 59.5 -60.2 -96.7 163.5 -1.6 8.0 22.4 26 42 A S T 3 S- 0 0 25 1,-0.2 38,-0.2 -2,-0.2 -1,-0.1 -0.101 117.7 -2.1 -44.1 116.2 -0.5 9.7 19.2 27 43 A T T 3 S+ 0 0 98 36,-1.4 -1,-0.2 35,-0.3 36,-0.1 0.337 88.3 151.0 82.6 3.4 3.3 9.8 18.9 28 44 A E < - 0 0 34 -3,-2.1 -1,-0.2 1,-0.1 5,-0.1 -0.310 50.2 -97.1 -72.6 148.8 4.3 8.2 22.2 29 45 A T S > S- 0 0 92 3,-0.1 4,-1.6 2,-0.1 3,-0.2 -0.199 80.8 -19.2 -58.4 147.1 7.6 6.3 22.7 30 46 A G T 4 S- 0 0 32 1,-0.2 -27,-0.3 2,-0.2 -6,-0.1 0.067 102.3 -60.1 46.7-160.9 7.6 2.5 22.5 31 47 A N T 4 S+ 0 0 7 -29,-0.3 -7,-0.6 1,-0.1 26,-0.4 0.649 132.3 50.5 -94.9 -11.2 4.3 0.6 22.9 32 48 A L T > S- 0 0 2 -30,-3.0 4,-1.0 1,-0.2 3,-0.3 0.608 83.3-166.6 -99.1 -16.8 3.4 1.8 26.5 33 49 A G T < - 0 0 0 -4,-1.6 -1,-0.2 -31,-0.7 -2,-0.1 -0.352 51.1 -48.2 66.5-140.7 3.8 5.5 26.0 34 50 A T T 4 S+ 0 0 85 2,-0.1 4,-0.3 3,-0.1 -1,-0.2 0.696 134.6 40.5-106.1 -26.0 3.8 7.6 29.1 35 51 A L T >> S+ 0 0 9 -3,-0.3 3,-2.3 2,-0.1 4,-1.6 0.934 104.5 62.9 -86.3 -51.0 0.9 6.4 31.1 36 52 A G H 3X S+ 0 0 0 -4,-1.0 4,-2.2 1,-0.3 5,-0.2 0.763 96.8 57.8 -42.5 -45.9 1.1 2.6 30.6 37 53 A P H 3> S+ 0 0 30 0, 0.0 4,-1.3 0, 0.0 -1,-0.3 0.766 112.1 41.3 -61.7 -26.1 4.5 2.2 32.3 38 54 A S H <> S+ 0 0 44 -3,-2.3 4,-2.0 -4,-0.3 3,-0.4 0.951 112.0 52.9 -82.4 -58.5 3.2 3.7 35.5 39 55 A I H X S+ 0 0 0 -4,-1.6 4,-2.4 1,-0.2 -3,-0.2 0.823 112.9 50.2 -39.1 -41.5 -0.2 1.9 35.5 40 56 A A H X S+ 0 0 3 -4,-2.2 4,-2.8 -5,-0.3 5,-0.2 0.914 103.8 50.4 -71.6 -49.5 1.9 -1.3 35.0 41 57 A S H < S+ 0 0 69 -4,-1.3 4,-0.5 -3,-0.4 -1,-0.2 0.874 113.5 52.3 -59.0 -31.0 4.5 -1.2 37.8 42 58 A N H >X S+ 0 0 51 -4,-2.0 3,-2.7 2,-0.2 4,-1.4 0.996 108.1 48.8 -63.9 -64.6 1.5 -0.5 40.0 43 59 A L H 3X S+ 0 0 0 -4,-2.4 4,-2.4 1,-0.3 5,-0.3 0.848 107.2 54.2 -43.8 -48.0 -0.4 -3.5 38.7 44 60 A E H 3X S+ 0 0 23 -4,-2.8 4,-1.3 1,-0.2 -1,-0.3 0.675 102.6 60.5 -68.0 -8.8 2.6 -5.9 39.2 45 61 A S H <4 S+ 0 0 103 -3,-2.7 -2,-0.2 -4,-0.5 -1,-0.2 0.930 109.4 41.2 -76.4 -47.0 2.6 -4.6 42.8 46 62 A A H < S+ 0 0 37 -4,-1.4 -2,-0.2 1,-0.2 -3,-0.1 0.857 133.2 22.0 -68.9 -37.4 -0.9 -5.9 43.3 47 63 A F H < S- 0 0 52 -4,-2.4 4,-0.2 -5,-0.2 -1,-0.2 0.447 106.4-117.5-114.1 0.4 -0.3 -9.1 41.5 48 64 A G >X - 0 0 31 -4,-1.3 3,-1.5 -5,-0.3 4,-0.9 0.385 39.3 -68.3 77.0 147.0 3.4 -9.7 41.5 49 65 A K G >4 S+ 0 0 131 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.827 131.8 27.1 -37.1 -66.7 5.8 -9.9 38.6 50 66 A D G 34 S+ 0 0 143 1,-0.2 -1,-0.3 -6,-0.1 -2,-0.1 0.591 107.0 78.9 -83.9 2.1 4.8 -13.1 36.9 51 67 A G G <4 S+ 0 0 20 -3,-1.5 -34,-2.0 -4,-0.2 -33,-1.4 0.734 98.8 37.3 -78.6 -20.4 1.2 -12.8 38.1 52 68 A V E << - b 0 18A 0 -3,-0.9 2,-0.6 -4,-0.9 -33,-0.2 -0.995 68.9-146.0-139.1 136.6 0.3 -10.3 35.5 53 69 A W E - b 0 19A 22 -35,-2.5 -33,-2.9 -2,-0.4 2,-0.5 -0.879 11.0-159.4-101.3 118.7 1.3 -9.8 31.8 54 70 A I E + b 0 20A 0 -2,-0.6 -48,-2.1 -35,-0.2 2,-0.4 -0.877 16.1 175.1 -97.5 130.5 1.5 -6.2 30.5 55 71 A Q E -Ab 5 21A 0 -35,-3.2 -33,-1.3 -2,-0.5 -50,-0.2 -0.917 14.6-156.7-139.5 111.8 1.2 -6.0 26.6 56 72 A G E - b 0 22A 0 -52,-2.3 2,-0.3 -2,-0.4 -33,-0.2 -0.534 29.9-106.7 -86.9 148.1 1.2 -2.7 24.8 57 73 A V + 0 0 0 -35,-3.2 -33,-0.3 -26,-0.4 2,-0.2 -0.614 63.3 134.5 -68.8 137.9 -0.4 -2.5 21.3 58 74 A G > + 0 0 11 -2,-0.3 3,-1.5 23,-0.1 2,-0.5 -0.690 25.3 71.5-154.9-148.3 2.4 -2.2 18.8 59 75 A G T 3 S+ 0 0 54 1,-0.3 19,-0.1 -2,-0.2 -2,-0.0 -0.517 118.3 13.3 61.5-112.4 3.5 -3.6 15.5 60 76 A A T 3 S+ 0 0 44 -2,-0.5 2,-1.0 17,-0.1 -1,-0.3 0.727 103.0 97.1 -69.0 -24.0 1.1 -2.1 13.1 61 77 A Y < + 0 0 0 -3,-1.5 -2,-0.1 17,-0.2 -1,-0.1 -0.550 48.8 177.2 -71.9 105.5 -0.4 0.6 15.4 62 78 A R - 0 0 157 -2,-1.0 -35,-0.3 -4,-0.1 -1,-0.2 0.598 30.6-136.4 -88.7 -11.2 1.5 3.6 14.4 63 79 A A - 0 0 3 1,-0.2 -36,-1.4 -37,-0.1 2,-0.7 0.947 36.2-180.0 56.4 47.8 -0.1 6.4 16.6 64 80 A T >> - 0 0 72 -38,-0.2 3,-2.3 1,-0.1 4,-0.7 -0.753 34.0-133.4 -90.2 119.6 -0.1 8.7 13.7 65 81 A L G >4 S+ 0 0 56 -2,-0.7 3,-0.6 1,-0.3 -1,-0.1 0.770 104.0 56.7 -35.3 -38.5 -1.5 12.2 14.5 66 82 A G G >4 S+ 0 0 23 1,-0.2 3,-2.4 2,-0.2 -1,-0.3 0.786 89.0 69.4 -72.1 -29.4 -3.6 12.0 11.3 67 83 A D G X4 S+ 0 0 33 -3,-2.3 3,-3.2 1,-0.3 6,-0.3 0.840 82.8 77.1 -59.5 -25.2 -5.4 8.8 12.0 68 84 A N G << S+ 0 0 12 -4,-0.7 -1,-0.3 -3,-0.6 -2,-0.2 0.609 89.3 58.5 -57.4 -15.7 -7.2 10.8 14.7 69 85 A A G < S+ 0 0 54 -3,-2.4 -1,-0.3 -4,-0.1 -2,-0.2 0.497 84.2 106.5 -95.2 -2.4 -9.2 12.2 11.8 70 86 A L S X S- 0 0 69 -3,-3.2 3,-1.6 -4,-0.1 5,-0.1 -0.305 89.0 -98.8 -78.1 162.1 -10.5 8.8 10.6 71 87 A P T 3 S+ 0 0 124 0, 0.0 -1,-0.1 0, 0.0 4,-0.1 0.704 123.0 33.5 -54.5 -17.7 -14.1 7.8 11.2 72 88 A R T 3 S- 0 0 82 2,-0.4 40,-0.2 -5,-0.2 39,-0.1 0.437 115.9-104.7-115.7 -1.0 -13.3 5.7 14.3 73 89 A G S < S+ 0 0 1 -3,-1.6 2,-0.3 -6,-0.3 36,-0.2 0.430 96.2 48.1 90.3 3.2 -10.4 7.8 15.6 74 90 A T S S- 0 0 4 34,-0.2 -2,-0.4 -6,-0.1 2,-0.4 -0.979 92.2 -80.9-165.4 164.5 -7.8 5.4 14.5 75 91 A S >> - 0 0 20 -2,-0.3 3,-2.9 1,-0.1 4,-1.3 -0.632 32.8-125.8 -78.3 131.3 -6.6 3.3 11.5 76 92 A S H 3> S+ 0 0 92 -2,-0.4 4,-1.4 1,-0.3 -1,-0.1 0.722 111.4 59.4 -45.0 -29.9 -8.2 -0.0 10.6 77 93 A A H 3> S+ 0 0 52 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.873 106.9 48.8 -68.7 -33.0 -4.8 -1.7 10.7 78 94 A A H <> S+ 0 0 0 -3,-2.9 4,-1.6 2,-0.2 -2,-0.2 0.926 105.5 53.6 -70.4 -48.9 -4.5 -0.6 14.3 79 95 A I H X S+ 0 0 7 -4,-1.3 4,-2.3 1,-0.2 5,-0.3 0.867 109.6 54.7 -53.9 -34.5 -7.9 -1.8 15.4 80 96 A R H X S+ 0 0 191 -4,-1.4 4,-1.8 -5,-0.3 -1,-0.2 0.929 100.6 52.9 -68.1 -47.1 -6.7 -5.1 13.9 81 97 A E H X S+ 0 0 63 -4,-1.6 4,-2.9 2,-0.2 -1,-0.2 0.814 112.6 51.6 -60.4 -25.6 -3.5 -5.5 15.9 82 98 A M H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 5,-0.2 0.988 109.4 42.1 -78.2 -59.9 -5.7 -5.0 19.0 83 99 A L H X S+ 0 0 40 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.795 117.1 58.3 -54.4 -21.3 -8.5 -7.5 18.4 84 100 A G H X S+ 0 0 32 -4,-1.8 4,-2.9 -5,-0.3 -2,-0.2 0.997 105.8 41.9 -66.7 -65.2 -5.4 -9.5 17.4 85 101 A L H X S+ 0 0 2 -4,-2.9 4,-2.3 2,-0.2 -2,-0.2 0.833 116.2 51.1 -50.9 -39.0 -3.6 -9.2 20.7 86 102 A F H X S+ 0 0 0 -4,-2.9 4,-2.2 2,-0.2 5,-0.2 0.994 111.6 47.3 -60.5 -60.2 -7.0 -9.8 22.6 87 103 A Q H X S+ 0 0 102 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.841 109.1 53.7 -46.6 -45.1 -7.5 -13.0 20.5 88 104 A Q H X S+ 0 0 65 -4,-2.9 4,-3.8 2,-0.2 5,-0.3 0.984 110.3 49.1 -55.3 -55.5 -3.9 -14.1 21.1 89 105 A A H X S+ 0 0 0 -4,-2.3 4,-3.1 1,-0.2 -2,-0.2 0.897 111.2 45.7 -47.3 -62.5 -4.6 -13.7 24.9 90 106 A N H < S+ 0 0 35 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.916 119.7 44.2 -46.6 -53.1 -7.9 -15.7 25.0 91 107 A T H < S+ 0 0 100 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.906 118.1 40.1 -61.5 -48.1 -6.3 -18.3 22.9 92 108 A K H < S+ 0 0 40 -4,-3.8 -2,-0.2 1,-0.3 -3,-0.2 0.827 135.6 15.7 -73.7 -36.9 -2.9 -18.6 24.7 93 109 A a >< + 0 0 4 -4,-3.1 3,-1.5 -5,-0.3 -1,-0.3 -0.711 67.4 176.6-140.9 83.5 -4.3 -18.3 28.2 94 110 A P T 3 S+ 0 0 71 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.639 77.9 58.6 -65.9 -16.5 -8.1 -18.9 28.2 95 111 A D T 3 S+ 0 0 138 2,-0.1 -5,-0.1 -77,-0.0 2,-0.0 0.387 82.4 113.7 -95.9 4.2 -8.4 -18.7 32.0 96 112 A A < - 0 0 7 -3,-1.5 2,-0.6 -7,-0.2 -78,-0.2 -0.268 63.5-135.3 -73.1 154.6 -7.0 -15.2 32.2 97 113 A T E -c 18 0A 14 -80,-2.5 -78,-2.1 28,-0.0 2,-0.3 -0.978 28.5-142.2-111.0 126.6 -9.0 -12.2 33.3 98 114 A L E -cd 19 125A 1 26,-2.2 28,-3.3 -2,-0.6 29,-0.6 -0.739 19.8-175.0 -97.7 148.8 -8.3 -9.3 30.9 99 115 A I E -cd 20 127A 0 -80,-2.9 -78,-1.9 -2,-0.3 2,-0.3 -0.996 11.3-164.2-137.4 136.3 -8.0 -5.6 31.6 100 116 A A E +cd 21 128A 0 27,-1.4 29,-2.2 -2,-0.4 2,-0.3 -0.869 10.6 169.9-125.8 157.3 -7.6 -3.0 28.9 101 117 A G E +cd 22 129A 0 -80,-2.2 -78,-2.5 -2,-0.3 2,-0.3 -0.985 3.8 175.6-163.8 152.2 -6.5 0.7 28.7 102 118 A G E -cd 23 130A 0 27,-1.3 29,-1.8 -2,-0.3 2,-0.4 -0.986 18.9-140.2-161.3 151.5 -5.6 3.4 26.3 103 119 A Y E > - d 0 131A 18 -80,-1.4 3,-1.7 -2,-0.3 2,-0.8 -0.944 67.2 -40.3-117.6 127.7 -4.6 7.1 26.1 104 120 A S T 3> S+ 0 0 9 27,-2.1 4,-1.4 -2,-0.4 30,-0.7 -0.470 139.2 10.9 64.7-103.3 -5.8 9.5 23.4 105 121 A Q H 3> S+ 0 0 0 -2,-0.8 4,-2.4 1,-0.2 -1,-0.3 0.874 130.2 58.7 -75.4 -35.5 -5.8 7.7 20.1 106 122 A G H <> S+ 0 0 0 -3,-1.7 4,-2.2 -82,-1.1 -1,-0.2 0.764 101.7 56.8 -60.2 -28.1 -5.2 4.5 22.0 107 123 A A H > S+ 0 0 0 25,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.938 109.8 40.9 -69.5 -53.4 -8.5 5.2 23.8 108 124 A A H X S+ 0 0 2 -4,-1.4 4,-2.3 2,-0.2 -2,-0.2 0.870 114.3 55.7 -63.0 -34.7 -10.6 5.4 20.6 109 125 A L H X S+ 0 0 0 -4,-2.4 4,-3.2 -36,-0.2 -2,-0.2 0.940 108.8 47.1 -59.2 -49.1 -8.5 2.3 19.4 110 126 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 5,-0.3 0.839 110.8 50.5 -62.8 -39.1 -9.6 0.4 22.5 111 127 A A H X S+ 0 0 3 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.908 114.0 46.2 -67.0 -39.2 -13.2 1.4 22.1 112 128 A A H X S+ 0 0 2 -4,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.960 114.6 45.1 -67.6 -51.0 -13.1 0.2 18.5 113 129 A S H >X S+ 0 0 0 -4,-3.2 4,-1.1 2,-0.2 3,-0.9 0.959 117.1 45.7 -56.3 -52.8 -11.3 -3.1 19.2 114 130 A I H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.3 -2,-0.2 0.940 108.2 55.0 -60.4 -45.9 -13.6 -3.8 22.2 115 131 A E H 3< S+ 0 0 66 -4,-2.7 -1,-0.3 1,-0.3 -2,-0.2 0.747 116.0 41.2 -59.8 -22.0 -16.8 -2.9 20.3 116 132 A D H << S+ 0 0 82 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.514 89.2 112.1-100.2 -15.2 -15.7 -5.4 17.6 117 133 A L S << S- 0 0 7 -3,-1.1 2,-0.1 -4,-1.1 5,-0.1 -0.350 80.0 -97.5 -61.6 151.5 -14.5 -8.2 19.9 118 134 A D >> - 0 0 91 1,-0.1 3,-2.5 -35,-0.1 4,-1.5 -0.438 34.9-116.6 -69.0 137.0 -16.4 -11.4 20.0 119 135 A S H >> S+ 0 0 67 1,-0.3 4,-2.9 2,-0.2 3,-1.0 0.874 111.5 64.1 -40.0 -54.9 -18.7 -11.5 23.0 120 136 A A H 34 S+ 0 0 56 1,-0.3 -1,-0.3 2,-0.2 4,-0.3 0.606 113.2 35.7 -50.2 -16.3 -17.0 -14.5 24.6 121 137 A I H <4 S+ 0 0 6 -3,-2.5 4,-0.3 2,-0.2 -1,-0.3 0.593 108.7 59.8-111.7 -22.3 -13.9 -12.3 24.9 122 138 A R H X< S+ 0 0 39 -4,-1.5 3,-3.0 -3,-1.0 -2,-0.2 0.972 101.0 62.2 -68.8 -38.9 -15.5 -9.0 25.6 123 139 A D T 3< S+ 0 0 111 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.820 97.9 54.5 -48.0 -43.2 -16.9 -10.9 28.6 124 140 A K T 3 S+ 0 0 51 -4,-0.3 -26,-2.2 -5,-0.2 2,-1.3 0.514 79.2 104.6 -72.5 -9.8 -13.4 -11.5 30.0 125 141 A I E < -d 98 0A 0 -3,-3.0 -26,-0.2 -4,-0.3 3,-0.2 -0.652 51.5-173.9 -77.7 97.1 -12.6 -7.8 29.9 126 142 A A E - 0 0 1 -28,-3.3 2,-0.3 -2,-1.3 -27,-0.2 0.904 64.5 -14.8 -57.3 -49.2 -12.9 -7.0 33.7 127 143 A G E -d 99 0A 0 -29,-0.6 -27,-1.4 -3,-0.1 2,-0.5 -0.941 56.5-151.0-161.4 142.9 -12.4 -3.2 33.4 128 144 A T E -de 100 151A 0 22,-1.6 24,-2.3 -2,-0.3 2,-0.4 -0.969 10.9-161.4-120.7 120.1 -11.3 -0.8 30.7 129 145 A V E -de 101 152A 0 -29,-2.2 -27,-1.3 -2,-0.5 2,-0.4 -0.813 5.9-168.9 -98.7 146.2 -9.7 2.6 31.6 130 146 A L E -de 102 153A 0 22,-1.8 24,-3.3 -2,-0.4 2,-0.3 -0.946 4.6-166.7-141.3 113.8 -9.5 5.4 29.1 131 147 A F E S+de 103 154A 0 -29,-1.8 -27,-2.1 -2,-0.4 3,-0.2 -0.788 77.5 3.5 -95.1 144.3 -7.5 8.6 29.5 132 148 A G S S- 0 0 0 22,-1.6 2,-1.4 -2,-0.3 -1,-0.2 0.947 83.4-152.7 44.1 66.8 -8.2 11.5 27.2 133 149 A Y > - 0 0 0 21,-0.5 3,-2.9 -3,-0.3 4,-0.3 -0.484 12.9-165.1 -78.4 96.1 -11.1 9.8 25.4 134 150 A T T 3 S+ 0 0 9 -2,-1.4 4,-0.2 -30,-0.7 3,-0.2 0.687 90.8 42.6 -52.0 -24.0 -11.2 11.3 21.8 135 151 A K T 3> S+ 0 0 42 1,-0.1 4,-3.1 2,-0.1 6,-0.3 0.198 78.5 115.0-111.2 21.3 -14.7 9.8 21.4 136 152 A N T <4>S+ 0 0 40 -3,-2.9 5,-3.2 25,-0.4 6,-0.2 0.889 83.3 37.6 -55.2 -47.7 -16.2 10.7 24.8 137 153 A L T >45S+ 0 0 100 24,-0.4 3,-2.1 -4,-0.3 -1,-0.2 0.998 121.2 43.4 -67.2 -61.5 -18.8 13.1 23.5 138 154 A Q T 345S+ 0 0 95 1,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.748 118.9 44.9 -54.6 -32.0 -19.7 11.2 20.3 139 155 A N T ><5S- 0 0 43 -4,-3.1 3,-1.4 3,-0.1 -1,-0.3 0.203 112.3-112.7 -98.0 7.8 -19.8 7.8 22.2 140 156 A R T < 5 - 0 0 200 -3,-2.1 -3,-0.2 1,-0.3 -4,-0.1 0.872 63.5 -73.9 61.1 35.2 -21.7 9.0 25.3 141 157 A G T 3 -F 146 0B 0 3,-0.5 3,-1.5 -2,-0.1 8,-0.1 -0.973 44.0-107.9-129.4 124.6 -17.5 2.2 25.0 144 160 A P T 3 S+ 0 0 34 0, 0.0 -5,-0.0 0, 0.0 -4,-0.0 -0.140 98.2 13.9 -61.4 153.5 -20.1 0.6 22.8 145 161 A N T 3 S+ 0 0 96 1,-0.1 -23,-0.0 -29,-0.0 0, 0.0 0.556 108.9 103.8 62.0 13.8 -21.2 -3.1 23.5 146 162 A Y B < S-F 143 0B 9 -3,-1.5 -3,-0.5 -24,-0.0 2,-0.3 -0.988 78.8-109.8-130.2 132.5 -19.4 -2.8 26.8 147 163 A P >> - 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