==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPASE 18-AUG-97 4LIP . COMPND 2 MOLECULE: TRIACYL-GLYCEROL-HYDROLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: BURKHOLDERIA CEPACIA; . AUTHOR D.A.LANG,B.W.DIJKSTRA . 638 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25312.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 451 70.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 60 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 44 6.9 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 . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 40 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 72 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 198 31.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.4 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 4 0 0 3 1 0 3 1 2 0 4 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 2 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 PARALLEL BRIDGES PER LADDER . 6 2 0 2 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 2 0 0 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 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 2 D D 0 0 117 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-160.6 12.7 -23.4 41.2 2 3 D N > + 0 0 103 1,-0.1 3,-1.8 38,-0.1 38,-0.1 0.047 360.0 124.7-122.1 24.7 14.7 -20.6 39.6 3 4 D Y T 3 S+ 0 0 69 1,-0.3 312,-0.2 38,-0.0 37,-0.2 0.839 85.4 34.0 -52.4 -39.1 12.2 -19.6 36.8 4 5 D A T 3 S+ 0 0 0 35,-2.7 2,-1.4 32,-0.2 -1,-0.3 0.235 83.8 130.7-103.3 14.6 12.1 -16.0 38.0 5 6 D A < - 0 0 25 -3,-1.8 36,-0.2 34,-0.5 2,-0.1 -0.498 36.6-174.9 -75.7 91.6 15.8 -15.8 39.1 6 7 D T - 0 0 14 -2,-1.4 36,-0.2 2,-0.1 309,-0.1 -0.441 33.4-123.7 -83.9 157.2 17.0 -12.6 37.5 7 8 D R S S+ 0 0 184 307,-0.1 -1,-0.1 -2,-0.1 312,-0.1 0.942 98.9 44.6 -63.3 -47.0 20.7 -11.5 37.8 8 9 D Y S S- 0 0 27 311,-2.4 34,-0.2 1,-0.1 72,-0.2 -0.733 100.7 -97.3-101.7 145.0 19.7 -8.1 39.3 9 10 D P - 0 0 4 0, 0.0 72,-3.0 0, 0.0 2,-0.5 -0.280 34.4-127.3 -59.7 145.9 17.1 -7.6 42.1 10 11 D I E -ab 43 81A 3 32,-3.0 34,-2.7 70,-0.2 2,-0.5 -0.809 18.8-162.4 -95.9 127.5 13.6 -6.7 41.0 11 12 D I E -ab 44 82A 0 70,-2.7 72,-2.7 -2,-0.5 2,-0.5 -0.981 9.1-149.5-111.7 117.4 12.2 -3.6 42.7 12 13 D L E -ab 45 83A 1 32,-2.5 34,-2.3 -2,-0.5 2,-0.5 -0.802 14.5-158.7 -86.1 128.4 8.4 -3.3 42.4 13 14 D V E - b 0 84A 0 70,-3.0 72,-2.5 -2,-0.5 75,-0.2 -0.938 3.5-146.8-120.1 112.7 7.4 0.4 42.4 14 15 D H - 0 0 0 -2,-0.5 77,-0.1 32,-0.3 3,-0.1 -0.217 9.8-146.0 -71.8 164.4 3.8 1.4 43.3 15 16 D G > - 0 0 0 1,-0.3 3,-1.7 72,-0.2 71,-0.1 -0.016 51.8 -7.2-107.9-149.1 1.9 4.3 41.8 16 17 D L T 3 S+ 0 0 61 1,-0.3 -1,-0.3 146,-0.1 35,-0.2 -0.146 128.9 7.7 -51.6 137.7 -0.7 6.9 43.1 17 18 D T T 3 S+ 0 0 46 33,-2.6 -1,-0.3 1,-0.2 33,-0.2 0.174 107.2 138.2 71.5 -8.2 -2.2 6.4 46.6 18 19 D G < + 0 0 3 -3,-1.7 2,-0.3 32,-0.4 -1,-0.2 0.085 29.1 156.1 -71.7 176.9 0.4 3.6 47.1 19 20 D T - 0 0 0 -3,-0.1 9,-0.3 31,-0.1 3,-0.2 -0.855 59.1 -92.6-177.6 170.1 2.8 2.2 49.7 20 21 D D S S+ 0 0 43 1,-0.3 8,-2.2 -2,-0.3 9,-0.4 0.920 115.0 11.3 -67.7 -39.4 4.3 -1.3 50.0 21 22 D K E > S-G 27 0B 76 6,-0.3 3,-2.1 7,-0.1 -1,-0.3 -0.963 82.0-125.5-143.0 116.9 1.4 -2.3 52.3 22 23 D Y E >> S-G 26 0B 43 4,-2.9 3,-2.7 -2,-0.4 4,-2.1 -0.492 98.6 -10.0 -64.7 124.1 -1.8 -0.3 53.0 23 24 D A T 34 S- 0 0 64 126,-2.9 -1,-0.3 1,-0.3 127,-0.1 0.719 122.9 -73.1 55.0 26.5 -2.1 0.3 56.7 24 25 D G T <4 S+ 0 0 36 -3,-2.1 -1,-0.3 125,-0.5 -2,-0.2 0.603 130.9 75.4 66.2 14.2 0.7 -2.3 56.9 25 26 D V T <4 S+ 0 0 116 -3,-2.7 2,-0.7 1,-0.2 -2,-0.2 0.732 76.6 59.6-123.8 -41.9 -1.8 -5.0 56.0 26 27 D L E < S-G 22 0B 46 -4,-2.1 -4,-2.9 4,-0.0 -1,-0.2 -0.862 75.2-135.4-101.5 111.1 -2.8 -5.1 52.3 27 28 D E E -G 21 0B 36 -2,-0.7 3,-0.3 -6,-0.3 -6,-0.3 -0.415 5.1-146.0 -59.7 130.4 0.1 -5.6 49.9 28 29 D Y S S+ 0 0 8 -8,-2.2 2,-1.7 1,-0.3 -1,-0.2 0.945 100.7 50.3 -62.1 -50.5 -0.1 -3.2 46.9 29 30 D W S >> S- 0 0 4 -9,-0.4 3,-1.5 -17,-0.1 4,-0.7 -0.638 103.1-140.2 -87.5 78.5 1.3 -5.8 44.6 30 31 D Y T 34 - 0 0 82 -2,-1.7 -2,-0.1 259,-1.1 -4,-0.0 -0.189 68.7 -24.3 -54.1 109.8 -1.1 -8.5 45.8 31 32 D G T 3> S+ 0 0 23 -2,-0.1 4,-1.5 1,-0.1 -1,-0.3 0.407 108.6 112.2 69.2 4.2 0.6 -11.8 46.1 32 33 D I H <> S+ 0 0 1 -3,-1.5 4,-2.7 2,-0.2 5,-0.3 0.932 70.1 50.0 -74.7 -51.9 3.3 -10.9 43.6 33 34 D Q H X S+ 0 0 50 -4,-0.7 4,-2.7 1,-0.2 5,-0.2 0.941 113.8 46.7 -54.7 -47.8 6.4 -10.7 45.8 34 35 D E H > S+ 0 0 121 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.914 112.3 50.1 -62.2 -43.9 5.7 -14.1 47.3 35 36 D D H X S+ 0 0 23 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.948 113.8 44.3 -59.8 -49.3 5.0 -15.7 43.9 36 37 D L H ><>S+ 0 0 2 -4,-2.7 5,-2.3 1,-0.2 3,-0.9 0.922 113.1 50.9 -62.5 -45.4 8.2 -14.3 42.4 37 38 D Q H ><5S+ 0 0 94 -4,-2.7 3,-1.8 -5,-0.3 -1,-0.2 0.883 105.4 56.6 -61.5 -36.8 10.3 -15.3 45.5 38 39 D Q H 3<5S+ 0 0 141 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.753 106.3 51.3 -66.3 -22.5 8.9 -18.8 45.4 39 40 D R T <<5S- 0 0 64 -3,-0.9 -35,-2.7 -4,-0.9 -34,-0.5 0.086 131.2 -92.9-101.7 20.5 10.2 -19.0 41.8 40 41 D G T < 5S+ 0 0 25 -3,-1.8 -3,-0.2 1,-0.2 2,-0.2 0.536 76.4 142.6 85.7 11.1 13.7 -17.9 42.9 41 42 D A < - 0 0 9 -5,-2.3 2,-0.7 -36,-0.2 -1,-0.2 -0.502 50.1-132.8 -88.3 151.5 13.5 -14.1 42.3 42 43 D T - 0 0 65 -38,-0.3 -32,-3.0 -34,-0.2 2,-0.4 -0.923 39.2-179.8 -99.8 109.3 15.2 -11.5 44.6 43 44 D V E -a 10 0A 6 -2,-0.7 2,-0.4 -34,-0.2 -32,-0.2 -0.967 19.3-178.6-123.5 133.4 12.3 -9.0 45.1 44 45 D Y E -a 11 0A 70 -34,-2.7 -32,-2.5 -2,-0.4 2,-0.6 -0.953 17.9-144.7-123.8 142.1 12.1 -5.7 47.0 45 46 D V E -a 12 0A 22 -2,-0.4 -32,-0.2 -34,-0.2 -25,-0.1 -0.937 18.2-133.7-113.8 112.6 8.9 -3.6 47.2 46 47 D A - 0 0 0 -34,-2.3 2,-0.4 -2,-0.6 -32,-0.3 -0.218 9.0-155.9 -62.6 149.9 9.4 0.2 47.3 47 48 D N + 0 0 48 -28,-0.1 2,-0.2 16,-0.1 -28,-0.1 -0.882 32.3 154.0-130.0 93.6 7.5 2.3 49.9 48 49 D L - 0 0 3 -2,-0.4 106,-0.1 1,-0.1 12,-0.1 -0.665 53.7 -63.2-115.9 174.1 7.3 5.8 48.5 49 50 D S - 0 0 0 -2,-0.2 3,-0.2 1,-0.2 -31,-0.2 -0.326 37.8-149.6 -56.5 132.0 5.0 8.8 48.9 50 51 D G S S+ 0 0 2 1,-0.3 -33,-2.6 -33,-0.2 2,-0.4 0.747 89.9 38.6 -76.4 -25.2 1.5 7.8 47.7 51 52 D F S S+ 0 0 12 105,-0.3 107,-2.5 -35,-0.2 2,-0.3 -0.945 89.4 91.5-131.1 108.0 0.9 11.4 46.7 52 53 D Q S S- 0 0 13 -2,-0.4 2,-0.1 105,-0.2 7,-0.1 -0.951 70.1 -90.3-176.8 170.0 3.8 13.4 45.2 53 54 D S - 0 0 18 -2,-0.3 7,-2.7 2,-0.2 8,-0.2 -0.366 33.5-127.3 -82.9 172.5 5.4 14.4 41.9 54 55 D D S S+ 0 0 1 5,-0.3 7,-2.0 6,-0.2 8,-0.4 0.779 91.5 50.2 -93.7 -34.1 8.2 12.2 40.6 55 56 D D S S+ 0 0 47 6,-0.1 -2,-0.2 5,-0.1 5,-0.2 -0.380 80.2 72.7 -93.4 177.2 10.7 15.0 40.2 56 57 D G S > S- 0 0 31 1,-0.1 3,-1.2 2,-0.1 6,-0.5 0.040 92.1 -80.7 99.2 154.1 11.7 17.5 42.8 57 58 D P T 3 S+ 0 0 119 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.861 134.0 38.6 -60.7 -31.7 13.7 17.2 46.1 58 59 D N T 3 S+ 0 0 105 -3,-0.1 -2,-0.1 4,-0.1 -3,-0.1 0.389 98.7 118.9 -98.8 5.4 10.7 15.8 47.9 59 60 D G S <> S- 0 0 0 -3,-1.2 4,-1.4 1,-0.1 -5,-0.3 -0.089 77.8-110.0 -72.2 168.8 9.5 13.8 44.9 60 61 D R H > S+ 0 0 0 -7,-2.7 4,-2.6 1,-0.2 -6,-0.2 0.771 112.3 63.8 -67.3 -28.8 9.1 10.0 44.5 61 62 D G H > S+ 0 0 0 -7,-2.0 4,-2.6 2,-0.2 -1,-0.2 0.928 104.1 44.2 -63.9 -47.8 12.0 9.8 42.2 62 63 D E H > S+ 0 0 73 -6,-0.5 4,-2.5 -8,-0.4 -1,-0.2 0.884 113.8 52.9 -65.1 -35.7 14.6 10.9 44.8 63 64 D Q H X S+ 0 0 42 -4,-1.4 4,-2.2 1,-0.2 -2,-0.2 0.921 111.1 45.7 -65.2 -41.5 12.9 8.5 47.2 64 65 D L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.906 110.8 52.7 -69.7 -39.0 13.2 5.6 44.8 65 66 D L H X S+ 0 0 19 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.947 110.0 49.0 -60.0 -47.6 16.8 6.4 44.0 66 67 D A H X S+ 0 0 55 -4,-2.5 4,-1.7 1,-0.2 -2,-0.2 0.935 113.0 47.7 -57.7 -43.2 17.6 6.4 47.7 67 68 D Y H X S+ 0 0 60 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.882 107.0 55.5 -66.5 -40.5 15.8 3.1 48.1 68 69 D V H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.934 106.5 52.6 -57.7 -43.7 17.6 1.5 45.1 69 70 D K H X S+ 0 0 116 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.900 108.3 49.2 -62.2 -38.7 20.9 2.4 46.8 70 71 D T H X S+ 0 0 81 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.850 111.5 50.2 -68.7 -34.1 19.9 0.6 50.0 71 72 D V H X S+ 0 0 2 -4,-2.1 4,-2.2 2,-0.2 6,-0.4 0.896 109.6 50.2 -69.3 -40.5 18.8 -2.5 48.0 72 73 D L H X S+ 0 0 20 -4,-2.6 4,-2.0 2,-0.2 5,-0.4 0.926 112.4 48.0 -63.5 -40.6 22.2 -2.5 46.1 73 74 D A H < S+ 0 0 81 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.936 113.2 47.3 -65.2 -45.6 24.0 -2.3 49.5 74 75 D A H < S+ 0 0 74 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.817 122.0 33.3 -66.5 -35.1 21.9 -5.1 51.1 75 76 D T H < S- 0 0 52 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.636 99.3-125.8 -96.1 -21.2 22.2 -7.5 48.2 76 77 D G < + 0 0 64 -4,-2.0 -3,-0.2 1,-0.3 -4,-0.1 0.512 63.6 142.0 84.0 5.1 25.7 -6.6 47.0 77 78 D A - 0 0 25 -5,-0.4 -1,-0.3 -6,-0.4 -2,-0.1 -0.362 49.2-149.9 -77.0 162.1 24.2 -6.1 43.5 78 79 D T S S+ 0 0 92 1,-0.2 2,-0.3 -3,-0.1 -1,-0.1 0.629 76.9 20.6-106.0 -21.0 25.4 -3.3 41.1 79 80 D K - 0 0 42 -72,-0.1 2,-0.3 -7,-0.1 24,-0.3 -0.950 64.8-145.6-143.1 166.3 22.1 -2.8 39.3 80 81 D V E - c 0 103A 0 22,-1.8 24,-2.8 -2,-0.3 25,-1.0 -0.902 17.2-126.6-131.9 160.1 18.3 -3.4 39.7 81 82 D N E -bc 10 105A 0 -72,-3.0 -70,-2.7 -2,-0.3 2,-0.5 -0.943 29.3-150.1-105.6 117.0 15.4 -4.2 37.4 82 83 D L E -bc 11 106A 0 23,-2.5 25,-2.3 -2,-0.6 2,-0.5 -0.825 15.9-177.6 -93.7 127.9 12.6 -1.6 38.0 83 84 D V E -bc 12 107A 5 -72,-2.7 -70,-3.0 -2,-0.5 2,-0.4 -0.969 13.2-175.3-124.5 111.8 9.0 -2.8 37.5 84 85 D G E -bc 13 108A 0 23,-3.0 25,-2.8 -2,-0.5 2,-0.5 -0.896 18.7-149.8-118.2 140.0 6.5 0.1 38.0 85 86 D H E > - c 0 109A 0 -72,-2.5 3,-2.5 -2,-0.4 25,-0.2 -0.894 66.4 -41.2-102.4 132.6 2.8 0.2 38.1 86 87 D S T >> S+ 0 0 9 23,-2.8 3,-2.0 -2,-0.5 4,-0.6 -0.261 138.8 6.8 55.1-124.0 1.1 3.4 36.9 87 88 D Q H >> S+ 0 0 0 1,-0.3 4,-2.0 2,-0.2 3,-0.9 0.793 122.6 73.6 -60.0 -24.7 3.0 6.4 38.3 88 89 D G H <> S+ 0 0 0 -3,-2.5 4,-2.2 1,-0.3 -1,-0.3 0.783 90.5 57.0 -57.7 -30.9 5.6 3.9 39.5 89 90 D G H <> S+ 0 0 0 -3,-2.0 4,-1.6 2,-0.2 -1,-0.3 0.823 106.1 48.5 -68.9 -32.8 6.6 3.6 35.9 90 91 D L H < + 0 0 7 -4,-2.4 3,-2.0 -5,-0.3 4,-0.4 -0.431 64.8 160.2-138.9 64.1 21.3 7.1 37.6 100 101 D P G > S+ 0 0 23 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.807 72.8 63.9 -57.6 -30.0 21.7 4.9 34.5 101 102 D D G 3 S+ 0 0 82 1,-0.2 101,-0.1 -3,-0.1 -5,-0.1 0.698 101.2 51.9 -67.5 -19.6 24.6 2.9 36.0 102 103 D L G < S+ 0 0 22 -3,-2.0 -22,-1.8 -7,-0.2 2,-0.4 0.475 99.8 74.0 -97.2 -1.1 22.2 1.6 38.7 103 104 D V E < +c 80 0A 0 -3,-1.2 -22,-0.2 -4,-0.4 3,-0.1 -0.924 41.1 174.5-121.1 136.6 19.5 0.3 36.4 104 105 D A E S- 0 0 2 -24,-2.8 100,-2.1 -2,-0.4 2,-0.3 0.671 74.7 -0.2-104.8 -28.4 19.4 -2.8 34.1 105 106 D S E -cd 81 204A 0 -25,-1.0 -23,-2.5 98,-0.3 2,-0.4 -0.990 51.3-150.6-159.1 158.5 15.8 -2.6 32.9 106 107 D V E -cd 82 205A 0 98,-2.3 100,-2.7 -2,-0.3 2,-0.4 -0.990 14.9-177.9-135.7 122.3 12.5 -0.6 33.3 107 108 D T E -cd 83 206A 0 -25,-2.3 -23,-3.0 -2,-0.4 2,-0.4 -0.996 8.9-161.4-121.8 128.5 9.2 -2.3 32.9 108 109 D T E -cd 84 207A 0 98,-2.1 100,-1.6 -2,-0.4 2,-0.5 -0.944 3.5-164.2-116.7 132.2 6.0 -0.1 33.1 109 110 D I E S-cd 85 208A 0 -25,-2.8 -23,-2.8 -2,-0.4 100,-0.2 -0.959 77.2 -22.1-116.8 112.4 2.5 -1.6 33.8 110 111 D G S S+ 0 0 0 98,-2.4 -1,-0.2 -2,-0.5 99,-0.1 0.890 90.4 168.7 56.1 41.2 -0.4 0.7 33.0 111 112 D T - 0 0 0 97,-0.4 2,-2.0 160,-0.3 3,-0.2 -0.748 39.4-133.7 -91.8 131.2 1.8 3.8 33.3 112 113 D P > + 0 0 2 0, 0.0 3,-1.6 0, 0.0 159,-0.2 -0.458 37.9 161.7 -82.3 72.1 0.5 7.2 32.1 113 114 D H T 3 S+ 0 0 0 -2,-2.0 62,-0.2 157,-1.3 158,-0.1 0.791 84.8 35.2 -58.4 -29.9 3.6 8.2 30.2 114 115 D R T 3 S- 0 0 48 1,-0.4 -1,-0.3 156,-0.4 58,-0.2 0.184 122.3-111.3-108.3 13.9 1.4 10.8 28.4 115 116 D G < - 0 0 1 -3,-1.6 -1,-0.4 155,-0.2 2,-0.4 -0.259 35.2 -73.3 87.5-176.6 -0.7 11.5 31.4 116 117 D S > - 0 0 8 50,-2.7 4,-2.1 150,-0.1 52,-0.4 -0.984 12.6-151.1-129.9 131.3 -4.4 10.8 32.2 117 118 D E H > S+ 0 0 32 -2,-0.4 4,-1.9 1,-0.2 -1,-0.1 0.764 105.0 59.0 -66.2 -25.2 -7.6 12.4 30.9 118 119 D F H > S+ 0 0 42 147,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.892 103.8 48.5 -72.7 -37.0 -9.1 11.4 34.2 119 120 D A H > S+ 0 0 11 47,-0.3 4,-2.5 146,-0.3 5,-0.2 0.916 110.6 52.2 -65.2 -41.8 -6.4 13.5 36.0 120 121 D D H X S+ 0 0 27 -4,-2.1 4,-2.1 46,-0.3 -2,-0.2 0.898 111.0 49.1 -56.8 -43.2 -7.3 16.4 33.6 121 122 D F H X S+ 0 0 73 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.966 110.9 46.7 -62.3 -54.2 -10.9 15.8 34.5 122 123 D V H X S+ 0 0 52 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.885 112.7 50.9 -59.0 -39.7 -10.4 15.9 38.3 123 124 D Q H X S+ 0 0 82 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.911 110.8 49.2 -64.0 -43.3 -8.2 19.0 38.0 124 125 D G H < S+ 0 0 29 -4,-2.1 4,-0.5 -5,-0.2 -2,-0.2 0.883 106.1 56.1 -64.9 -37.5 -10.8 20.7 36.0 125 126 D V H >< S+ 0 0 81 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.925 105.0 52.8 -61.1 -43.0 -13.6 19.8 38.5 126 127 D L H >< S+ 0 0 26 -4,-1.9 3,-1.6 1,-0.3 9,-0.2 0.860 100.6 62.6 -60.7 -34.6 -11.6 21.5 41.3 127 128 D A T 3< S+ 0 0 78 -4,-1.3 -1,-0.3 1,-0.3 -2,-0.2 0.597 89.3 69.8 -66.2 -17.1 -11.3 24.7 39.2 128 129 D Y T < S+ 0 0 198 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.456 72.6 96.1 -81.1 -6.7 -15.1 25.1 39.2 129 130 D D X - 0 0 43 -3,-1.6 3,-0.7 1,-0.2 6,-0.1 -0.829 65.2-158.4 -84.8 111.1 -15.1 26.0 42.9 130 131 D P T 3 S+ 0 0 129 0, 0.0 -1,-0.2 0, 0.0 -3,-0.0 0.732 90.8 47.2 -60.5 -27.1 -15.1 29.8 42.8 131 132 D T T 3 S- 0 0 94 -3,-0.1 -2,-0.0 1,-0.0 -3,-0.0 0.631 96.5-139.1 -90.4 -20.2 -13.7 30.1 46.3 132 133 D G X> + 0 0 30 -3,-0.7 4,-1.1 -6,-0.2 3,-0.6 0.409 67.6 122.4 74.3 0.3 -10.9 27.5 45.7 133 134 D L H 3> + 0 0 109 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.775 62.9 61.8 -66.5 -26.3 -11.6 26.1 49.2 134 135 D S H 3>>S+ 0 0 28 2,-0.2 4,-3.1 1,-0.2 5,-0.5 0.868 97.0 58.9 -69.1 -34.5 -12.4 22.6 48.0 135 136 D S H <>5S+ 0 0 34 -3,-0.6 4,-1.9 -9,-0.2 -1,-0.2 0.950 112.7 40.5 -57.2 -46.2 -8.8 22.3 46.6 136 137 D T H X5S+ 0 0 97 -4,-1.1 4,-2.1 2,-0.2 -2,-0.2 0.948 119.5 43.9 -67.6 -49.2 -7.6 22.9 50.2 137 138 D V H X5S+ 0 0 99 -4,-2.8 4,-2.0 2,-0.2 -2,-0.2 0.938 118.6 41.1 -64.7 -48.9 -10.2 20.8 52.0 138 139 D I H X5S+ 0 0 87 -4,-3.1 4,-2.6 2,-0.2 5,-0.2 0.911 114.0 52.9 -70.0 -38.0 -10.1 17.8 49.6 139 140 D A H X< S- 0 0 4 -4,-1.9 3,-1.8 -5,-0.2 -128,-0.1 -0.406 76.6-130.0 -55.8 133.9 1.3 4.6 54.3 151 152 D S T 3 S+ 0 0 40 1,-0.3 -1,-0.2 2,-0.1 -129,-0.1 0.771 110.3 34.0 -58.2 -26.4 2.9 1.5 56.0 152 153 D S T 3 S- 0 0 69 2,-0.0 -1,-0.3 0, 0.0 3,-0.2 0.124 113.3-114.1-114.3 14.0 5.4 3.9 57.7 153 154 D N < - 0 0 95 -3,-1.8 2,-0.2 1,-0.2 -6,-0.1 0.863 41.5-163.4 49.2 43.6 3.0 6.9 58.1 154 155 D N - 0 0 39 -8,-0.2 -1,-0.2 1,-0.2 -104,-0.2 -0.387 11.3-160.6 -58.2 117.5 5.1 8.9 55.6 155 156 D T + 0 0 109 -2,-0.2 2,-1.7 -3,-0.2 -1,-0.2 0.550 65.8 99.1 -81.3 -8.7 4.1 12.5 56.1 156 157 D N + 0 0 44 -10,-0.1 2,-0.4 -9,-0.1 -105,-0.3 -0.651 50.1 139.1 -83.4 85.4 5.4 13.6 52.8 157 158 D Q + 0 0 17 -2,-1.7 2,-0.3 -108,-0.1 -105,-0.2 -0.999 24.5 173.1-131.6 131.6 2.1 13.6 50.9 158 159 D D > + 0 0 63 -107,-2.5 4,-2.2 -2,-0.4 5,-0.1 -0.744 3.1 179.2-143.3 86.3 1.1 16.3 48.4 159 160 D A H > S+ 0 0 11 -20,-0.3 4,-2.7 -2,-0.3 5,-0.2 0.867 82.8 53.2 -56.2 -43.8 -2.1 15.3 46.6 160 161 D L H > S+ 0 0 77 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.883 109.6 48.5 -64.8 -37.3 -2.2 18.5 44.5 161 162 D A H > S+ 0 0 21 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.907 111.9 50.0 -66.4 -42.9 1.3 17.8 43.2 162 163 D A H X S+ 0 0 1 -4,-2.2 4,-1.5 2,-0.2 -2,-0.2 0.913 111.5 48.3 -60.9 -45.0 0.4 14.2 42.5 163 164 D L H < S+ 0 0 31 -4,-2.7 4,-0.5 2,-0.2 3,-0.3 0.939 112.5 47.7 -61.3 -48.1 -2.8 15.4 40.6 164 165 D K H >< S+ 0 0 115 -4,-2.4 3,-1.3 1,-0.2 6,-0.3 0.912 108.3 56.4 -60.0 -42.8 -0.8 18.0 38.6 165 166 D T H 3< S+ 0 0 15 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.829 106.3 50.0 -56.8 -38.7 1.9 15.4 37.7 166 167 D L T 3< S+ 0 0 13 -4,-1.5 -50,-2.7 -3,-0.3 -47,-0.3 0.454 85.6 108.3 -85.4 -2.3 -0.6 13.0 36.2 167 168 D T S <> S- 0 0 4 -3,-1.3 4,-2.4 -4,-0.5 5,-0.2 -0.373 78.2-119.4 -72.5 156.2 -2.3 15.5 33.9 168 169 D T H > S+ 0 0 47 -52,-0.4 4,-1.6 2,-0.2 5,-0.1 0.907 112.5 50.9 -64.2 -40.1 -1.7 15.3 30.1 169 170 D A H > S+ 0 0 71 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.927 113.9 44.0 -64.6 -42.9 -0.1 18.8 29.9 170 171 D Q H > S+ 0 0 52 -6,-0.3 4,-2.6 1,-0.2 -2,-0.2 0.886 108.7 56.4 -71.2 -37.2 2.3 18.1 32.8 171 172 D A H X S+ 0 0 2 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.854 103.9 55.5 -62.8 -33.4 3.2 14.6 31.6 172 173 D A H X S+ 0 0 45 -4,-1.6 4,-1.3 2,-0.2 -1,-0.2 0.908 109.4 46.2 -65.2 -39.9 4.3 16.2 28.3 173 174 D T H X S+ 0 0 50 -4,-1.3 4,-2.2 2,-0.2 3,-0.3 0.910 109.6 54.6 -67.9 -42.2 6.6 18.6 30.2 174 175 D Y H X S+ 0 0 13 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.916 106.2 52.4 -57.0 -43.4 7.9 15.6 32.2 175 176 D N H < S+ 0 0 16 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.820 108.9 49.2 -64.4 -31.6 8.8 13.8 29.0 176 177 D Q H < S+ 0 0 139 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.856 116.0 43.8 -73.2 -38.3 10.8 16.9 27.7 177 178 D N H < S+ 0 0 91 -4,-2.2 -2,-0.2 1,-0.3 -1,-0.2 0.801 127.4 29.2 -75.9 -32.9 12.6 17.0 31.1 178 179 D Y S < S- 0 0 48 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.1 -0.617 84.0-175.5-129.2 73.5 13.2 13.3 31.3 179 180 D P - 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