==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 27-SEP-05 2B4Y . COMPND 2 MOLECULE: NAD-DEPENDENT DEACETYLASE SIRTUIN-5; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.MIN,T.ANTOSHENKO,A.DONG,A.SCHUETZ,P.LOPPNAU,J.WEIGELT, . 1047 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48231.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 685 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 116 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 58 5.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 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 . 4 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 . 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 . 62 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 136 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 269 25.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 2 5 3 2 2 4 1 0 4 2 3 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 4 8 4 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 PARALLEL BRIDGES PER LADDER . 8 0 4 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 4 0 0 0 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 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 36 A P 0 0 89 0, 0.0 245,-0.3 0, 0.0 244,-0.2 0.000 360.0 360.0 360.0 134.0 50.0 -7.1 57.6 2 37 A S B -a 246 0A 43 243,-2.7 245,-2.4 1,-0.1 242,-0.0 -0.389 360.0-161.7 -81.1 155.5 51.6 -3.9 58.8 3 38 A S + 0 0 94 243,-0.2 2,-1.0 -2,-0.1 3,-0.1 0.098 46.2 135.3-118.3 21.8 50.2 -0.3 58.5 4 39 A S > - 0 0 38 1,-0.2 4,-2.1 2,-0.1 5,-0.2 -0.558 34.4-173.7 -75.0 103.8 53.6 1.3 59.1 5 40 A X H > S+ 0 0 37 -2,-1.0 4,-3.0 1,-0.2 -1,-0.2 0.911 86.1 55.7 -58.4 -40.9 54.0 4.1 56.5 6 41 A A H > S+ 0 0 64 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.906 107.6 47.3 -63.2 -41.3 57.6 4.6 57.7 7 42 A D H > S+ 0 0 69 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.887 112.5 50.6 -69.7 -37.9 58.6 0.9 57.1 8 43 A F H X S+ 0 0 0 -4,-2.1 4,-2.9 1,-0.2 3,-0.2 0.933 107.2 53.4 -56.6 -52.3 57.0 1.1 53.6 9 44 A R H X S+ 0 0 74 -4,-3.0 4,-2.0 1,-0.2 -1,-0.2 0.789 102.3 59.0 -58.1 -31.7 58.9 4.3 52.8 10 45 A K H X S+ 0 0 118 -4,-1.4 4,-0.6 2,-0.2 -1,-0.2 0.927 111.4 41.1 -62.3 -47.2 62.2 2.5 53.7 11 46 A F H >X S+ 0 0 87 -4,-1.4 4,-1.5 -3,-0.2 3,-0.9 0.906 114.2 52.6 -61.7 -45.3 61.5 -0.1 51.1 12 47 A F H 3< S+ 0 0 9 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.854 102.5 59.1 -61.3 -34.1 60.2 2.5 48.6 13 48 A A H 3< S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.738 117.8 31.4 -69.1 -23.8 63.4 4.6 49.0 14 49 A K H << S+ 0 0 154 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.521 83.5 123.7-113.0 -10.7 65.5 1.7 47.8 15 50 A A < - 0 0 3 -4,-1.5 3,-0.2 1,-0.2 188,-0.1 -0.353 35.9-171.5 -62.4 122.4 63.3 -0.3 45.3 16 51 A K S S+ 0 0 168 1,-0.2 77,-3.0 -2,-0.1 2,-0.3 0.614 79.8 27.1 -80.8 -25.0 65.0 -0.6 41.9 17 52 A H E S-b 93 0A 24 75,-0.2 185,-2.8 2,-0.0 186,-1.1 -0.774 70.2-172.4-151.0 101.4 61.8 -2.1 40.2 18 53 A I E -bc 94 203A 0 75,-2.8 77,-2.3 -2,-0.3 2,-0.5 -0.816 6.3-161.3-100.4 126.6 58.2 -1.3 41.4 19 54 A V E -bc 95 204A 0 184,-2.3 186,-2.7 -2,-0.5 2,-0.6 -0.941 5.1-165.0-104.9 131.4 55.2 -3.1 40.0 20 55 A I E -bc 96 205A 0 75,-2.9 77,-3.1 -2,-0.5 2,-0.5 -0.969 1.5-163.9-116.8 112.7 51.8 -1.4 40.6 21 56 A I E -bc 97 206A 3 184,-3.1 186,-3.1 -2,-0.6 2,-0.3 -0.868 16.3-171.5 -92.6 123.8 48.8 -3.6 40.0 22 57 A S E +bc 98 207A 0 75,-2.6 77,-1.7 -2,-0.5 78,-0.3 -0.884 13.4 171.9-122.5 152.3 45.6 -1.6 39.7 23 58 A G > - 0 0 1 184,-1.8 3,-1.9 -2,-0.3 4,-0.4 -0.674 57.1 -58.9-133.8-162.1 41.8 -2.2 39.4 24 59 A A G > S+ 0 0 74 1,-0.3 3,-1.4 -2,-0.2 4,-0.5 0.763 119.7 70.0 -60.4 -26.6 38.6 -0.3 39.4 25 60 A G G > S+ 0 0 30 183,-2.4 3,-0.8 1,-0.3 4,-0.5 0.787 89.2 64.4 -59.0 -31.3 39.1 1.3 42.8 26 61 A V G < S+ 0 0 0 -3,-1.9 51,-0.3 182,-0.4 48,-0.3 0.757 106.6 42.6 -66.5 -22.2 41.9 3.5 41.4 27 62 A S G X >S+ 0 0 2 -3,-1.4 3,-1.8 -4,-0.4 5,-1.2 0.482 86.6 94.7-102.3 -3.7 39.4 5.2 39.1 28 63 A A G X 5S+ 0 0 56 -3,-0.8 3,-1.8 -4,-0.5 -2,-0.1 0.881 83.8 52.9 -55.7 -43.2 36.6 5.6 41.8 29 64 A E G 3 5S+ 0 0 84 -4,-0.5 -1,-0.3 1,-0.3 46,-0.1 0.482 101.0 61.3 -78.2 -0.5 37.8 9.1 42.7 30 65 A S G < 5S- 0 0 15 -3,-1.8 42,-0.4 2,-0.1 -1,-0.3 0.370 121.3-109.0 -95.1 1.0 37.6 10.1 39.0 31 66 A G T < 5 0 0 48 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.856 360.0 360.0 72.2 37.8 33.8 9.3 39.2 32 67 A V < 0 0 82 -5,-1.2 -1,-0.3 -8,-0.1 -2,-0.1 -0.721 360.0 360.0-110.8 360.0 34.1 6.1 37.1 33 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 34 75 A G 0 0 109 0, 0.0 7,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-175.7 25.3 0.6 37.3 35 76 A Y - 0 0 155 5,-0.1 2,-0.6 6,-0.1 5,-0.2 -0.840 360.0-151.1-108.9 145.5 22.9 -0.3 34.4 36 77 A W B > S-G 39 0B 9 3,-3.0 3,-2.1 -2,-0.3 114,-0.1 -0.977 76.3 -46.9-115.0 112.8 23.1 0.9 30.8 37 78 A R T 3 S- 0 0 36 112,-0.9 117,-0.1 -2,-0.6 -2,-0.0 -0.413 124.0 -25.2 56.3-128.7 19.5 0.9 29.6 38 79 A K T 3 S+ 0 0 144 -3,-0.1 2,-0.3 -2,-0.0 -1,-0.3 0.448 125.1 78.4 -92.3 6.1 18.2 -2.5 30.8 39 80 A W B < -G 36 0B 29 -3,-2.1 -3,-3.0 2,-0.0 2,-0.2 -0.753 59.0-149.5-118.1 157.2 21.5 -4.3 30.9 40 81 A Q >> - 0 0 63 -2,-0.3 3,-2.1 -5,-0.2 4,-0.5 -0.700 47.8 -89.3-110.8 171.7 24.6 -4.6 33.0 41 82 A A H >> S+ 0 0 43 -7,-0.4 4,-2.8 1,-0.3 3,-1.7 0.845 122.9 62.6 -50.5 -40.2 28.2 -5.3 31.7 42 83 A Q H 34 S+ 0 0 105 1,-0.3 -1,-0.3 2,-0.2 140,-0.0 0.741 103.7 49.1 -62.2 -22.3 27.7 -9.2 31.9 43 84 A D H <4 S+ 0 0 75 -3,-2.1 -1,-0.3 1,-0.1 -2,-0.2 0.519 123.3 28.6 -89.0 -10.4 24.9 -9.0 29.3 44 85 A L H << S+ 0 0 2 -3,-1.7 2,-1.7 -4,-0.5 -2,-0.2 0.689 101.2 73.1-120.6 -37.7 26.8 -6.8 26.8 45 86 A A S < S+ 0 0 8 -4,-2.8 137,-2.6 -5,-0.2 -1,-0.1 -0.468 80.7 99.9 -88.6 59.6 30.5 -7.5 27.1 46 87 A T S > S- 0 0 28 -2,-1.7 4,-2.2 135,-0.2 5,-0.2 -0.987 78.4-124.4-139.0 149.7 30.3 -11.0 25.5 47 88 A P H > S+ 0 0 57 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.846 113.1 55.9 -61.3 -33.6 31.0 -12.4 22.0 48 89 A L H > S+ 0 0 120 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.892 107.2 48.6 -63.3 -43.1 27.4 -13.8 21.9 49 90 A A H > S+ 0 0 19 2,-0.2 4,-3.2 1,-0.2 8,-0.2 0.933 114.0 46.0 -61.0 -47.7 26.0 -10.3 22.5 50 91 A F H < S+ 0 0 18 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.867 111.9 51.4 -63.7 -38.9 28.2 -8.8 19.9 51 92 A A H < S+ 0 0 70 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.895 117.9 39.3 -64.5 -38.4 27.3 -11.6 17.4 52 93 A H H < S+ 0 0 144 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.857 136.4 11.1 -82.0 -40.7 23.6 -11.1 18.0 53 94 A N X + 0 0 40 -4,-3.2 4,-2.1 -5,-0.1 -1,-0.2 -0.591 62.7 167.6-138.8 74.0 23.4 -7.3 18.2 54 95 A P H > S+ 0 0 27 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.841 81.4 56.3 -57.5 -33.1 26.7 -5.7 17.1 55 96 A S H > S+ 0 0 4 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.944 107.7 46.4 -64.3 -46.1 24.9 -2.2 17.0 56 97 A R H > S+ 0 0 55 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 112.1 49.7 -66.5 -38.8 23.8 -2.4 20.6 57 98 A V H X S+ 0 0 2 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.947 112.8 49.2 -66.5 -44.5 27.2 -3.5 21.9 58 99 A W H X S+ 0 0 3 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.863 107.5 53.0 -57.3 -42.7 28.8 -0.6 19.9 59 100 A E H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.921 110.5 49.1 -57.2 -43.5 26.3 2.0 21.3 60 101 A F H X S+ 0 0 16 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.950 114.6 43.8 -60.7 -50.5 27.4 0.7 24.8 61 102 A Y H X S+ 0 0 8 -4,-2.7 4,-2.5 2,-0.2 -2,-0.2 0.868 111.8 53.3 -66.5 -38.4 31.1 1.1 23.9 62 103 A H H X S+ 0 0 7 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.919 109.4 50.1 -54.9 -49.2 30.7 4.5 22.2 63 104 A Y H X S+ 0 0 79 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.931 111.3 47.2 -59.2 -46.8 28.9 5.7 25.3 64 105 A R H X S+ 0 0 70 -4,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.915 112.5 50.0 -63.8 -41.7 31.7 4.5 27.6 65 106 A R H X S+ 0 0 6 -4,-2.5 4,-1.4 2,-0.2 -1,-0.2 0.904 113.3 46.6 -58.2 -46.8 34.4 6.0 25.3 66 107 A E H X S+ 0 0 65 -4,-2.7 4,-0.8 2,-0.2 -2,-0.2 0.900 108.5 53.6 -67.2 -42.1 32.5 9.4 25.3 67 108 A V H >< S+ 0 0 38 -4,-2.6 3,-1.2 1,-0.2 4,-0.4 0.936 106.5 55.7 -57.1 -45.8 32.0 9.4 29.1 68 109 A X H >< S+ 0 0 16 -4,-2.1 3,-1.8 1,-0.3 -1,-0.2 0.844 94.2 63.9 -51.3 -45.7 35.9 8.9 29.4 69 110 A G H 3< S+ 0 0 53 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.840 105.9 49.8 -50.2 -31.6 36.8 11.9 27.4 70 111 A S T << S+ 0 0 53 -3,-1.2 -1,-0.3 -4,-0.8 2,-0.3 0.648 95.2 91.6 -81.1 -18.2 35.0 13.8 30.2 71 112 A K < - 0 0 39 -3,-1.8 -40,-0.1 -4,-0.4 -41,-0.1 -0.586 60.2-150.2 -93.2 143.8 36.9 12.1 33.1 72 113 A E - 0 0 126 -42,-0.4 32,-0.1 -2,-0.3 36,-0.1 -0.859 25.3-106.8-110.6 141.9 40.0 13.3 34.7 73 114 A P - 0 0 15 0, 0.0 2,-0.1 0, 0.0 -46,-0.1 -0.305 41.3-136.0 -59.5 144.9 42.8 11.2 36.4 74 115 A N > - 0 0 12 -48,-0.3 4,-2.5 1,-0.0 5,-0.2 -0.314 31.9 -84.8 -95.1-173.4 42.6 11.6 40.2 75 116 A A H > S+ 0 0 31 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.794 128.6 56.5 -63.8 -28.7 45.4 12.2 42.8 76 117 A G H > S+ 0 0 0 2,-0.2 4,-1.9 -50,-0.2 -1,-0.2 0.962 109.5 42.3 -60.6 -57.5 46.0 8.4 42.9 77 118 A H H > S+ 0 0 0 -51,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.916 116.8 50.4 -57.5 -47.3 46.6 8.1 39.1 78 119 A R H X S+ 0 0 117 -4,-2.5 4,-2.9 1,-0.2 5,-0.2 0.909 108.5 51.2 -61.9 -39.1 48.8 11.4 39.2 79 120 A A H X S+ 0 0 6 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.872 111.2 48.8 -62.8 -39.6 50.9 10.0 42.2 80 121 A I H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.917 113.8 45.4 -66.4 -47.9 51.6 6.8 40.2 81 122 A A H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.925 113.0 50.0 -59.3 -47.6 52.6 8.7 37.0 82 123 A E H X S+ 0 0 115 -4,-2.9 4,-2.4 1,-0.2 -2,-0.2 0.890 107.6 55.6 -58.9 -42.1 54.8 11.2 38.9 83 124 A C H X S+ 0 0 0 -4,-2.0 4,-2.7 -5,-0.2 5,-0.3 0.911 107.6 48.1 -51.7 -49.0 56.5 8.3 40.7 84 125 A E H X S+ 0 0 17 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.914 112.9 48.3 -63.7 -46.0 57.4 6.7 37.3 85 126 A T H X S+ 0 0 77 -4,-2.1 4,-0.5 2,-0.2 -1,-0.2 0.899 114.1 46.5 -59.2 -44.0 58.8 10.0 36.0 86 127 A R H >< S+ 0 0 83 -4,-2.4 3,-0.9 1,-0.2 4,-0.2 0.924 114.9 43.4 -67.6 -47.8 60.8 10.6 39.1 87 128 A L H ><>S+ 0 0 1 -4,-2.7 5,-2.5 1,-0.3 3,-1.6 0.817 106.4 62.7 -68.0 -33.7 62.4 7.1 39.5 88 129 A G H 3<5S+ 0 0 51 -4,-1.9 3,-0.4 1,-0.3 -1,-0.3 0.661 95.3 59.5 -66.1 -22.5 63.1 7.0 35.8 89 130 A K T <<5S+ 0 0 176 -3,-0.9 -1,-0.3 -4,-0.5 -2,-0.2 0.585 110.5 45.0 -74.0 -12.4 65.4 10.0 36.2 90 131 A Q T < 5S- 0 0 107 -3,-1.6 -2,-0.2 -4,-0.2 -1,-0.2 0.281 120.0-107.1-112.5 3.9 67.3 7.7 38.6 91 132 A G T 5S+ 0 0 77 -3,-0.4 2,-0.4 1,-0.3 -3,-0.2 0.709 77.1 135.0 77.0 19.9 67.3 4.5 36.4 92 133 A R < - 0 0 42 -5,-2.5 2,-0.3 -8,-0.1 -1,-0.3 -0.827 51.3-129.4-104.9 136.2 64.7 2.9 38.6 93 134 A R E +b 17 0A 90 -77,-3.0 -75,-2.8 -2,-0.4 2,-0.4 -0.705 24.6 178.3 -96.8 140.8 61.8 1.1 36.9 94 135 A V E +b 18 0A 3 -2,-0.3 2,-0.4 -77,-0.2 18,-0.2 -0.990 8.8 178.7-134.3 124.9 58.0 1.6 37.7 95 136 A V E -b 19 0A 1 -77,-2.3 -75,-2.9 -2,-0.4 2,-0.5 -0.986 18.6-144.5-128.6 142.8 55.4 -0.3 35.7 96 137 A V E -bd 20 113A 1 16,-2.5 18,-3.3 -2,-0.4 2,-0.6 -0.913 7.8-168.1-104.6 125.7 51.6 -0.3 36.0 97 138 A I E -bd 21 114A 2 -77,-3.1 -75,-2.6 -2,-0.5 2,-0.3 -0.965 22.0-173.5-110.1 109.2 49.7 -3.5 35.4 98 139 A T E -bd 22 115A 3 16,-2.6 18,-1.8 -2,-0.6 19,-0.5 -0.817 37.1-166.0-113.8 150.4 46.0 -2.6 35.1 99 140 A Q + 0 0 27 -77,-1.7 -76,-0.1 -2,-0.3 2,-0.1 0.492 68.8 100.5 -96.9 -15.0 42.8 -4.5 34.8 100 141 A N - 0 0 15 -78,-0.3 17,-0.3 1,-0.1 3,-0.2 -0.437 54.6-163.8 -77.4 146.7 41.0 -1.2 33.8 101 142 A I S S+ 0 0 24 -2,-0.1 19,-2.3 1,-0.1 20,-0.3 0.267 70.4 91.9-110.1 8.0 40.1 -0.3 30.2 102 143 A D S S- 0 0 15 17,-0.2 -1,-0.1 18,-0.1 17,-0.1 0.575 80.2-140.2 -79.7 -14.7 39.5 3.4 30.8 103 144 A E > + 0 0 18 -3,-0.2 4,-1.8 1,-0.1 5,-0.2 0.675 56.5 136.5 58.9 20.9 43.1 4.6 30.1 104 145 A L H > + 0 0 2 2,-0.2 4,-1.4 1,-0.2 6,-0.2 0.800 68.2 60.8 -66.2 -24.9 43.1 7.1 33.0 105 146 A H H >>S+ 0 0 2 2,-0.2 5,-2.3 1,-0.2 4,-0.7 0.967 106.2 46.7 -61.8 -46.6 46.7 6.0 33.9 106 147 A R H >45S+ 0 0 88 1,-0.3 3,-1.1 2,-0.2 -2,-0.2 0.887 110.2 52.8 -59.8 -44.1 47.8 7.1 30.3 107 148 A K H 3<5S+ 0 0 97 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.750 105.1 55.6 -65.0 -28.6 46.0 10.4 30.7 108 149 A A H 3<5S- 0 0 23 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.695 129.8 -98.8 -74.9 -17.3 47.8 10.9 34.0 109 150 A G T <<5 + 0 0 20 -3,-1.1 2,-0.3 -4,-0.7 -3,-0.2 0.466 67.8 154.8 108.8 7.1 51.1 10.5 32.1 110 151 A T < + 0 0 2 -5,-2.3 -1,-0.3 -6,-0.2 3,-0.1 -0.525 13.4 174.9 -66.5 127.9 51.9 6.8 32.8 111 152 A K + 0 0 144 -2,-0.3 2,-1.1 1,-0.2 -1,-0.2 0.765 65.0 65.1-104.7 -38.3 54.1 5.4 30.0 112 153 A N S S+ 0 0 60 -18,-0.2 -16,-2.5 2,-0.0 2,-0.4 -0.732 73.1 149.3 -90.5 96.4 55.0 1.9 31.3 113 154 A L E -d 96 0A 19 -2,-1.1 2,-0.6 -18,-0.2 -16,-0.2 -0.992 35.9-163.9-138.5 125.9 51.5 0.3 31.3 114 155 A L E -d 97 0A 13 -18,-3.3 -16,-2.6 -2,-0.4 2,-1.0 -0.956 9.9-164.3-109.8 114.6 50.3 -3.2 30.7 115 156 A E E > -d 98 0A 18 -2,-0.6 3,-1.5 -18,-0.2 -16,-0.2 -0.782 7.9-178.6 -99.3 91.6 46.6 -3.3 30.0 116 157 A I T 3 S+ 0 0 5 -18,-1.8 71,-0.4 -2,-1.0 -17,-0.1 0.635 79.6 42.9 -72.1 -18.9 45.7 -6.9 30.5 117 158 A H T 3 S- 0 0 40 -19,-0.5 63,-2.5 1,-0.4 -1,-0.3 0.225 111.1-115.4-106.3 13.8 42.0 -6.5 29.6 118 159 A G E < -H 179 0C 9 -3,-1.5 -1,-0.4 61,-0.3 2,-0.3 -0.508 33.8 -83.3 86.1-156.9 42.4 -4.2 26.5 119 160 A S E > - 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0 0 23 -5,-1.6 -1,-0.3 -8,-0.1 -2,-0.2 -0.784 54.9-123.7 -85.9 126.2 27.9 44.8 50.3 824 68 D P - 0 0 103 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.336 21.3-133.7 -69.4 155.0 31.0 43.4 51.9 825 69 D T 0 0 82 1,-0.1 -9,-0.0 -6,-0.1 0, 0.0 -0.392 360.0 360.0 -92.2 177.7 31.5 39.6 51.9 826 70 D F 0 0 208 -2,-0.1 -1,-0.1 0, 0.0 0, 0.0 0.463 360.0 360.0 -96.7 360.0 32.6 37.4 54.8 827 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 828 76 D Y 0 0 127 0, 0.0 2,-0.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 72.7 34.8 44.4 61.9 829 77 D W B > -K 832 0N 5 3,-2.5 3,-2.1 114,-0.1 114,-0.1 -0.957 360.0 -50.3-131.4 111.7 32.4 46.8 63.9 830 78 D R T 3 S- 0 0 16 112,-2.8 117,-0.1 -2,-0.4 113,-0.0 -0.400 121.3 -28.4 49.1-130.7 34.0 49.1 66.5 831 79 D K T 3 S+ 0 0 158 112,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.593 124.6 83.6 -81.6 -8.0 36.1 46.5 68.5 832 80 D W B < -K 829 0N 32 -3,-2.1 -3,-2.5 2,-0.0 2,-0.3 -0.461 61.7-142.3-103.8 159.5 33.8 43.5 67.8 833 81 D Q >> - 0 0 111 -5,-0.2 3,-2.6 -2,-0.1 4,-0.7 -0.807 39.2-102.2-107.5 166.2 33.3 40.9 65.2 834 82 D A H >> S+ 0 0 24 -2,-0.3 4,-3.5 1,-0.3 3,-1.5 0.879 122.3 62.7 -52.4 -38.4 29.9 39.5 64.1 835 83 D Q H 34 S+ 0 0 98 1,-0.3 -1,-0.3 2,-0.2 -3,-0.0 0.630 104.0 48.9 -62.2 -15.0 30.7 36.4 66.2 836 84 D D H <4 S+ 0 0 83 -3,-2.6 -1,-0.3 6,-0.0 -2,-0.2 0.568 124.6 27.9 -93.1 -15.8 30.8 38.6 69.3 837 85 D L H << S+ 0 0 2 -3,-1.5 2,-1.4 -4,-0.7 -2,-0.2 0.724 106.1 67.7-118.8 -37.4 27.5 40.3 68.5 838 86 D A S < S+ 0 0 5 -4,-3.5 137,-2.1 -5,-0.2 -1,-0.1 -0.569 80.2 99.2 -94.1 67.5 25.3 37.9 66.5 839 87 D T S > S- 0 0 26 -2,-1.4 4,-2.1 135,-0.2 5,-0.2 -0.981 77.9-122.2-152.2 145.1 24.6 35.3 69.2 840 88 D P H > S+ 0 0 53 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.852 114.9 54.6 -60.0 -33.6 21.7 34.6 71.6 841 89 D L H > S+ 0 0 114 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.950 109.4 46.1 -63.9 -48.1 24.2 35.0 74.5 842 90 D A H > S+ 0 0 18 1,-0.2 4,-2.5 2,-0.2 8,-0.2 0.892 113.4 49.7 -58.0 -44.3 25.3 38.5 73.4 843 91 D F H < S+ 0 0 15 -4,-2.1 -1,-0.2 2,-0.2 -2,-0.2 0.862 111.2 48.1 -67.2 -39.9 21.7 39.6 72.8 844 92 D A H < S+ 0 0 71 -4,-2.1 -2,-0.2 2,-0.2 -1,-0.2 0.923 117.9 40.9 -63.8 -44.8 20.6 38.4 76.2 845 93 D H H < S+ 0 0 148 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.806 137.3 9.4 -78.0 -29.9 23.5 40.1 78.0 846 94 D N X + 0 0 40 -4,-2.5 4,-1.8 -5,-0.2 3,-0.3 -0.465 62.4 165.3-150.9 75.4 23.5 43.3 76.0 847 95 D P H > S+ 0 0 17 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.823 79.3 60.2 -66.0 -31.6 20.5 43.8 73.6 848 96 D S H > S+ 0 0 4 2,-0.2 4,-2.1 1,-0.2 5,-0.2 0.934 107.5 43.9 -60.5 -44.8 21.2 47.5 73.1 849 97 D R H > S+ 0 0 64 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.890 113.8 51.5 -69.1 -36.6 24.7 46.8 71.7 850 98 D V H X S+ 0 0 2 -4,-1.8 4,-1.8 -8,-0.2 -2,-0.2 0.935 111.6 47.5 -62.7 -45.4 23.3 43.9 69.5 851 99 D W H X S+ 0 0 2 -4,-2.8 4,-2.6 2,-0.2 -2,-0.2 0.823 106.9 55.2 -64.7 -38.3 20.6 46.3 68.2 852 100 D E H X S+ 0 0 4 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.910 108.3 51.2 -57.3 -44.0 23.1 49.1 67.4 853 101 D F H X S+ 0 0 15 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.930 113.9 42.5 -57.6 -48.0 25.0 46.5 65.3 854 102 D Y H X S+ 0 0 5 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.798 110.5 56.0 -72.4 -30.9 21.8 45.5 63.4 855 103 D H H X S+ 0 0 9 -4,-2.6 4,-2.7 2,-0.2 5,-0.2 0.930 108.4 49.0 -62.0 -49.0 20.7 49.2 63.0 856 104 D Y H X S+ 0 0 79 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.969 112.1 47.6 -51.6 -56.6 24.0 49.9 61.4 857 105 D R H X S+ 0 0 51 -4,-2.2 4,-1.3 1,-0.2 -2,-0.2 0.889 113.2 49.0 -53.6 -44.5 23.6 46.9 59.0 858 106 D R H X S+ 0 0 6 -4,-2.6 4,-1.0 2,-0.2 -1,-0.2 0.913 112.4 46.5 -59.8 -49.2 20.1 47.9 58.1 859 107 D E H >< S+ 0 0 64 -4,-2.7 3,-0.8 1,-0.2 4,-0.3 0.932 107.0 57.0 -68.0 -42.6 21.0 51.5 57.4 860 108 D V H >< S+ 0 0 44 -4,-2.7 3,-1.0 1,-0.2 -1,-0.2 0.842 104.1 55.9 -51.1 -37.1 24.0 50.6 55.3 861 109 D X H >< S+ 0 0 12 -4,-1.3 3,-2.7 1,-0.2 -1,-0.2 0.822 89.1 75.9 -64.1 -33.3 21.6 48.5 53.1 862 110 D G T << S+ 0 0 73 -4,-1.0 -1,-0.2 -3,-0.8 -2,-0.2 0.563 98.2 45.0 -59.0 -11.1 19.4 51.6 52.5 863 111 D S T < S+ 0 0 91 -3,-1.0 -1,-0.3 -4,-0.3 2,-0.3 0.357 96.4 97.3-110.0 1.8 22.0 52.9 50.0 864 112 D K < - 0 0 57 -3,-2.7 -42,-0.1 -4,-0.1 -43,-0.1 -0.679 51.6-166.5 -97.1 145.9 22.5 49.5 48.2 865 113 D E - 0 0 153 -44,-0.3 32,-0.1 -2,-0.3 -2,-0.0 -0.927 33.9 -93.3-123.4 151.2 20.8 48.5 45.0 866 114 D P - 0 0 23 0, 0.0 2,-0.1 0, 0.0 -48,-0.1 -0.342 45.7-141.0 -58.9 144.0 20.6 45.1 43.3 867 115 D N > - 0 0 13 -50,-0.3 4,-2.3 -3,-0.0 5,-0.1 -0.314 33.6 -79.8-101.2-175.2 23.4 44.6 40.8 868 116 D A H > S+ 0 0 27 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.847 128.9 54.2 -53.6 -44.2 23.5 42.9 37.2 869 117 D G H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.913 109.1 45.8 -55.5 -52.2 23.7 39.4 38.8 870 118 D H H > S+ 0 0 0 -53,-0.3 4,-2.5 2,-0.2 -2,-0.2 0.931 115.3 49.6 -56.5 -44.7 20.5 40.0 41.0 871 119 D R H X S+ 0 0 130 -4,-2.3 4,-2.9 1,-0.2 5,-0.2 0.948 111.0 46.6 -60.4 -52.7 18.7 41.4 38.0 872 120 D A H X S+ 0 0 2 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.844 112.7 51.9 -55.9 -41.0 19.6 38.6 35.6 873 121 D I H X S+ 0 0 0 -4,-2.1 4,-2.0 -5,-0.2 -2,-0.2 0.948 113.9 42.4 -63.2 -46.5 18.6 36.0 38.3 874 122 D A H X S+ 0 0 6 -4,-2.5 4,-1.6 2,-0.2 -2,-0.2 0.869 116.0 48.1 -67.7 -39.4 15.2 37.7 38.7 875 123 D E H X S+ 0 0 111 -4,-2.9 4,-1.8 2,-0.2 -2,-0.2 0.900 108.1 55.0 -73.4 -38.6 14.7 38.2 35.0 876 124 D C H < S+ 0 0 0 -4,-2.8 5,-0.3 -5,-0.2 -2,-0.2 0.955 109.5 48.4 -48.4 -54.4 15.6 34.6 34.3 877 125 D E H X S+ 0 0 12 -4,-2.0 4,-1.5 1,-0.2 -2,-0.2 0.850 106.7 56.6 -57.6 -39.0 12.9 33.4 36.8 878 126 D T H < S+ 0 0 62 -4,-1.6 4,-0.4 2,-0.2 -1,-0.2 0.926 115.9 33.0 -66.9 -49.9 10.2 35.7 35.3 879 127 D R T >< S+ 0 0 73 -4,-1.8 3,-4.6 2,-0.2 4,-0.3 0.794 113.6 54.5 -66.4-101.5 10.4 34.3 31.8 880 128 D L T 34>S+ 0 0 2 1,-0.3 5,-1.6 2,-0.2 3,-0.2 0.467 110.4 52.0 -3.6 -46.2 11.3 30.7 32.3 881 129 D G T 3<5S+ 0 0 47 -4,-1.5 -1,-0.3 -5,-0.3 -2,-0.2 0.714 99.3 63.5 -70.5 -24.6 8.1 30.7 34.6 882 130 D K T < 5S+ 0 0 158 -3,-4.6 -1,-0.2 -4,-0.4 -2,-0.2 0.831 109.7 44.4 -62.6 -42.4 6.3 32.2 31.6 883 131 D Q T 5S- 0 0 98 -4,-0.3 0, 0.0 -3,-0.2 0, 0.0 0.147 126.6 -75.6 -74.5-153.0 7.1 28.9 29.9 884 132 D G T 5S+ 0 0 86 2,-0.0 -3,-0.2 -2,-0.0 2,-0.1 0.651 94.5 117.6 -76.9 -6.0 6.6 25.7 31.9 885 133 D R < - 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