==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 05-OCT-04 1W93 . COMPND 2 MOLECULE: ACETYL-COENZYME A CARBOXYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR Y.SHEN,S.L.VOLRATH,S.C.WEATHERLY,T.D.ELICH,L.TONG . 549 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 24870.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 342 62.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 2.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 11.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 1 0.2 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 . 49 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 66 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 124 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 3 3 0 2 0 2 2 1 1 0 1 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 1 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 0 PARALLEL BRIDGES PER LADDER . 5 2 4 1 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 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 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 14 A M 0 0 201 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-168.3 54.0 43.6 30.6 2 15 A E - 0 0 173 34,-0.0 2,-0.2 37,-0.0 34,-0.1 -0.768 360.0-151.6-175.6 127.5 57.6 42.7 29.8 3 16 A Y - 0 0 81 -2,-0.2 412,-0.1 32,-0.2 411,-0.0 -0.538 33.5 -89.3-102.6 164.6 59.5 39.9 28.0 4 17 A E - 0 0 119 410,-0.5 2,-0.3 -2,-0.2 -1,-0.1 -0.304 55.7-111.0 -62.0 153.8 62.9 38.2 28.2 5 18 A I - 0 0 129 35,-0.1 2,-0.4 2,-0.0 35,-0.2 -0.737 31.0-178.8-106.5 143.9 65.5 40.0 26.1 6 19 A T - 0 0 12 33,-3.6 2,-0.7 -2,-0.3 411,-0.1 -0.999 12.3-159.2-131.3 123.1 67.4 39.2 23.0 7 20 A N + 0 0 122 -2,-0.4 3,-0.3 1,-0.1 32,-0.1 -0.804 29.3 151.9-109.7 90.3 69.9 41.7 21.6 8 21 A Y > + 0 0 21 -2,-0.7 4,-0.9 1,-0.2 -1,-0.1 -0.282 28.9 126.4-107.1 41.6 70.6 41.0 17.9 9 22 A S T 4 S+ 0 0 78 2,-0.2 4,-0.3 1,-0.1 -1,-0.2 0.604 70.9 59.8 -73.5 -11.0 71.5 44.7 17.2 10 23 A E T >4 S+ 0 0 144 -3,-0.3 3,-2.2 2,-0.1 4,-0.4 0.977 100.8 46.1 -75.3 -74.1 74.7 43.3 15.7 11 24 A R T 34 S+ 0 0 101 1,-0.3 4,-0.4 2,-0.2 -2,-0.2 0.632 96.7 75.4 -42.7 -27.6 73.4 41.0 12.9 12 25 A H T >< S+ 0 0 29 -4,-0.9 3,-1.0 1,-0.2 -1,-0.3 0.856 88.1 60.9 -59.6 -35.2 71.0 43.6 11.6 13 26 A T T < S+ 0 0 117 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.949 103.5 46.8 -56.4 -55.0 73.8 45.6 10.0 14 27 A E T 3 S+ 0 0 178 -4,-0.4 -1,-0.3 -3,-0.1 -2,-0.2 0.517 93.9 109.4 -66.9 -4.3 74.9 42.8 7.7 15 28 A L S < S- 0 0 18 -3,-1.0 5,-0.2 -4,-0.4 4,-0.2 -0.631 87.4 -97.1 -80.6 125.6 71.2 42.5 6.9 16 29 A P >> - 0 0 52 0, 0.0 3,-2.5 0, 0.0 4,-0.8 -0.028 31.1-123.6 -37.5 133.5 70.2 43.6 3.4 17 30 A G T 34 S+ 0 0 55 1,-0.3 -2,-0.1 2,-0.2 -3,-0.0 0.677 110.2 68.5 -58.5 -15.1 68.9 47.1 3.7 18 31 A H T 34 S+ 0 0 61 1,-0.2 -1,-0.3 3,-0.0 141,-0.2 0.378 93.6 56.4 -86.7 5.4 65.7 45.8 2.1 19 32 A F T <4 S+ 0 0 19 -3,-2.5 2,-0.4 -4,-0.2 -1,-0.2 0.740 90.7 79.7-100.4 -34.9 65.0 43.8 5.2 20 33 A I S < S- 0 0 42 -4,-0.8 2,-0.3 -5,-0.2 4,-0.1 -0.628 75.8-149.2 -76.4 125.0 65.0 46.8 7.6 21 34 A G - 0 0 2 -2,-0.4 24,-0.2 2,-0.1 135,-0.1 -0.762 21.7-109.7-102.6 147.3 61.8 48.7 7.3 22 35 A L S S+ 0 0 59 134,-0.5 2,-2.5 -2,-0.3 134,-0.1 0.828 110.2 59.5 -31.9 -66.7 61.2 52.4 7.8 23 36 A N S S+ 0 0 58 22,-0.2 22,-2.1 133,-0.2 -1,-0.2 -0.437 78.2 174.2 -74.5 73.8 59.3 52.2 11.1 24 37 A T B > -A 44 0A 14 -2,-2.5 3,-1.3 20,-0.2 20,-0.3 -0.380 43.9-114.0 -75.5 159.0 62.1 50.5 13.0 25 38 A V T 3 S+ 0 0 10 18,-2.8 3,-0.2 1,-0.2 19,-0.1 0.428 109.6 71.0 -77.4 2.7 61.7 50.0 16.7 26 39 A D T 3 S+ 0 0 122 17,-0.2 -1,-0.2 1,-0.2 18,-0.1 0.470 103.8 37.9 -95.7 -1.7 64.5 52.4 17.5 27 40 A K S < S+ 0 0 130 -3,-1.3 2,-0.4 2,-0.1 -1,-0.2 0.114 93.1 102.1-134.3 19.9 62.5 55.5 16.4 28 41 A L S S- 0 0 54 -3,-0.2 3,-0.1 6,-0.1 -5,-0.0 -0.906 77.9-106.8-114.4 137.4 59.0 54.7 17.7 29 42 A E - 0 0 164 -2,-0.4 5,-0.1 1,-0.1 -2,-0.1 -0.272 63.5 -80.2 -51.3 139.1 57.3 56.1 20.8 30 43 A E + 0 0 143 3,-0.0 -1,-0.1 4,-0.0 3,-0.1 -0.092 69.2 160.2 -45.5 144.6 57.2 53.2 23.2 31 44 A S >> - 0 0 38 1,-0.2 3,-2.0 -3,-0.1 4,-0.9 -0.886 50.6-101.1-172.2 141.0 54.3 50.8 22.5 32 45 A P H >> S+ 0 0 100 0, 0.0 3,-2.6 0, 0.0 4,-2.4 0.781 123.0 35.2 -24.7 -75.7 53.1 47.2 23.1 33 46 A L H 3> S+ 0 0 18 1,-0.3 4,-1.5 2,-0.2 5,-0.2 0.720 113.6 61.7 -59.7 -21.3 54.1 45.6 19.8 34 47 A R H <> S+ 0 0 23 -3,-2.0 4,-0.6 2,-0.2 -1,-0.3 0.611 111.1 39.9 -79.3 -11.0 57.1 48.0 19.9 35 48 A D H S+ 0 0 0 -4,-1.5 4,-1.4 -5,-0.2 5,-1.0 0.986 114.3 46.1 -74.5 -72.7 59.5 43.1 18.9 38 51 A K H ><5S+ 0 0 105 -4,-0.6 3,-1.7 1,-0.2 -32,-0.3 0.855 112.4 50.0 -32.6 -68.0 62.5 44.9 20.4 39 52 A S H 3<5S+ 0 0 15 -4,-1.2 -33,-3.6 1,-0.3 -1,-0.2 0.898 112.3 47.8 -41.8 -55.8 62.8 42.6 23.4 40 53 A H H 3<5S- 0 0 13 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.661 123.1-102.5 -64.8 -19.8 62.7 39.5 21.3 41 54 A G T <<5S+ 0 0 2 -3,-1.7 -3,-0.2 -4,-1.4 -33,-0.2 0.292 71.1 134.3 120.4 -15.2 65.2 40.8 18.8 42 55 A G < - 0 0 5 -5,-1.0 354,-0.3 -6,-0.2 -1,-0.2 -0.036 39.8-152.3 -64.2 171.5 63.5 42.1 15.6 43 56 A H + 0 0 9 352,-2.2 -18,-2.8 1,-0.2 2,-0.3 0.786 69.9 45.2-111.0 -52.0 64.2 45.4 13.9 44 57 A T B -A 24 0A 0 351,-0.7 2,-0.4 -20,-0.3 -20,-0.2 -0.667 66.4-144.0 -97.8 150.9 61.1 46.6 12.1 45 58 A V - 0 0 8 -22,-2.1 2,-0.5 -2,-0.3 -22,-0.2 -0.923 8.3-154.2-113.6 137.9 57.6 46.7 13.3 46 59 A I + 0 0 0 -2,-0.4 3,-0.1 1,-0.2 84,-0.1 -0.950 26.6 156.9-113.4 126.7 54.7 46.1 11.0 47 60 A S + 0 0 58 -2,-0.5 33,-1.9 1,-0.3 2,-0.4 0.713 65.9 42.6-113.8 -39.8 51.4 47.6 12.0 48 61 A K - 0 0 32 31,-0.2 83,-2.1 81,-0.2 84,-1.5 -0.903 67.8-167.7-113.4 139.7 49.5 47.7 8.6 49 62 A I E -b 132 0B 0 -2,-0.4 33,-3.8 31,-0.3 2,-0.5 -0.987 12.6-147.6-134.1 137.1 49.5 45.0 6.0 50 63 A L E -bc 133 82B 0 82,-1.9 84,-1.6 -2,-0.4 2,-1.0 -0.849 13.3-144.0-102.9 131.8 48.4 44.8 2.4 51 64 A I E -bc 134 83B 0 31,-1.9 2,-3.2 -2,-0.5 33,-0.7 -0.751 8.5-166.9-101.7 90.3 47.0 41.5 1.1 52 65 A A S S+ 0 0 0 82,-2.3 2,-0.3 -2,-1.0 88,-0.2 -0.328 71.5 45.3 -72.7 61.7 48.1 41.0 -2.5 53 66 A N - 0 0 9 -2,-3.2 31,-0.4 31,-0.1 2,-0.1 -0.919 69.2-144.5 174.0 166.9 45.6 38.2 -2.9 54 67 A N > + 0 0 7 -2,-0.3 4,-3.1 427,-0.1 5,-0.2 -0.291 51.3 44.8-125.9-150.4 42.0 37.3 -2.2 55 68 A G H >> S- 0 0 12 2,-0.2 4,-1.6 1,-0.2 3,-0.9 0.271 114.8 -23.3 40.3-162.1 39.8 34.3 -1.2 56 69 A I H 3> S+ 0 0 18 405,-0.3 4,-1.7 1,-0.3 -1,-0.2 0.839 137.4 62.1 -43.2 -40.0 40.6 31.7 1.5 57 70 A A H >> S+ 0 0 5 1,-0.3 4,-1.1 2,-0.2 3,-0.6 0.949 106.9 42.3 -51.8 -53.1 44.2 32.7 1.0 58 71 A A H X>S+ 0 0 1 -4,-0.6 4,-2.9 2,-0.2 3,-0.5 0.975 111.0 42.9 -73.0 -81.9 43.8 37.2 8.7 63 76 A R H 3X5S+ 0 0 106 -4,-1.4 4,-1.0 1,-0.3 -3,-0.1 0.786 120.3 50.6 -33.6 -35.9 42.5 34.5 11.1 64 77 A S H 3X5S+ 0 0 2 -4,-0.9 4,-1.8 -5,-0.2 -1,-0.3 0.951 113.7 38.4 -73.6 -51.2 46.1 33.6 11.5 65 78 A V H S+ 0 0 0 -4,-1.1 5,-1.8 2,-0.3 4,-0.6 0.924 110.0 48.5 -54.4 -52.8 48.2 38.6 18.1 70 83 A Y H <5S+ 0 0 154 -4,-1.6 -1,-0.2 4,-0.3 -2,-0.2 0.889 116.3 46.1 -58.2 -35.1 45.1 38.1 20.2 71 84 A E H <5S+ 0 0 123 -4,-2.7 -1,-0.3 -5,-0.1 -2,-0.3 0.833 120.1 43.9 -73.0 -33.1 47.0 35.4 22.0 72 85 A T H <5S- 0 0 35 -4,-2.6 -3,-0.2 -5,-0.4 -2,-0.2 0.923 141.4 -9.2 -74.5 -93.8 50.0 37.7 22.1 73 86 A F T <5S- 0 0 48 -4,-0.6 -3,-0.2 2,-0.1 -2,-0.1 0.298 101.7-113.9 -89.4 7.0 49.2 41.3 23.2 74 87 A G S - 0 0 74 -9,-0.3 3,-2.1 -8,-0.2 4,-0.4 -0.394 50.2-155.8 172.2 100.7 44.1 42.4 20.0 76 89 A D T 3 S+ 0 0 63 1,-0.3 -10,-0.1 -7,-0.1 -9,-0.1 0.082 102.4 46.3 -75.7 27.8 42.8 40.9 16.8 77 90 A R T 3 S+ 0 0 104 -2,-0.1 3,-0.3 -11,-0.1 -1,-0.3 0.203 75.3 107.3-147.0 4.0 43.6 44.3 15.2 78 91 A T S < S+ 0 0 30 -3,-2.1 2,-1.1 1,-0.3 -2,-0.1 0.982 88.0 42.9 -48.1 -62.0 47.0 44.9 16.6 79 92 A V S S- 0 0 3 -4,-0.4 -1,-0.3 -14,-0.3 -31,-0.2 -0.726 96.7-146.2 -91.9 94.9 48.3 44.1 13.2 80 93 A Q - 0 0 78 -33,-1.9 2,-0.3 -2,-1.1 -31,-0.3 0.136 6.6-142.6 -51.1 169.9 46.0 46.1 10.8 81 94 A F - 0 0 0 -33,-0.2 20,-2.1 -4,-0.1 21,-0.6 -0.868 13.2-169.9-148.6 112.1 45.0 44.8 7.3 82 95 A V E -cd 50 102B 1 -33,-3.8 -31,-1.9 -2,-0.3 2,-0.3 -0.879 20.3-166.2 -99.8 124.1 44.5 46.7 4.1 83 96 A A E -cd 51 103B 0 19,-1.4 21,-2.1 -2,-0.6 2,-0.5 -0.712 20.1-123.5-109.8 161.7 42.9 44.5 1.4 84 97 A M E - d 0 104B 0 -33,-0.7 2,-0.6 -31,-0.4 21,-0.2 -0.883 23.8-156.8-101.8 128.9 42.5 45.0 -2.4 85 98 A A E - d 0 105B 0 19,-1.6 21,-1.6 -2,-0.5 23,-0.1 -0.867 2.0-159.6-116.5 105.2 39.0 44.7 -3.6 86 99 A T >> - 0 0 0 -2,-0.6 3,-3.4 19,-0.2 4,-1.0 -0.647 30.5-112.4 -83.7 129.6 38.4 43.8 -7.2 87 100 A P H >> S+ 0 0 47 0, 0.0 3,-1.8 0, 0.0 4,-1.3 0.703 115.5 49.2 -17.7 -72.8 34.9 44.7 -8.7 88 101 A E H 34 S+ 0 0 39 1,-0.3 5,-0.1 2,-0.2 20,-0.0 0.757 108.3 56.4 -47.6 -32.1 33.6 41.1 -9.2 89 102 A D H X4>S+ 0 0 0 -3,-3.4 5,-1.7 1,-0.2 3,-1.1 0.818 102.7 53.3 -73.3 -29.8 34.7 40.4 -5.6 90 103 A L H <<5S+ 0 0 53 -3,-1.8 3,-0.4 -4,-1.0 -2,-0.2 0.781 106.1 54.4 -73.7 -25.8 32.5 43.2 -4.3 91 104 A E T 3<5S+ 0 0 136 -4,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.252 111.0 46.4 -89.5 10.2 29.6 41.7 -6.2 92 105 A A T < 5S- 0 0 15 -3,-1.1 368,-1.2 -5,-0.2 -1,-0.2 0.326 104.0-130.5-128.0 -2.6 30.3 38.4 -4.3 93 106 A N T 5 - 0 0 81 -3,-0.4 368,-0.2 -4,-0.3 -3,-0.2 0.888 24.7-145.0 49.0 48.2 30.7 40.0 -0.9 94 107 A A >< - 0 0 2 -5,-1.7 4,-0.9 366,-0.2 3,-0.3 -0.163 6.8-136.0 -44.0 121.3 33.9 38.2 -0.2 95 108 A E T 4 S+ 0 0 31 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.476 101.3 55.6 -63.7 -0.3 33.9 37.4 3.5 96 109 A Y T > S+ 0 0 1 2,-0.2 4,-2.1 3,-0.1 3,-0.4 0.849 97.2 54.3 -98.8 -46.2 37.5 38.5 3.6 97 110 A I T 4 S+ 0 0 18 1,-0.3 -2,-0.2 -3,-0.3 -14,-0.1 0.728 113.2 53.1 -58.0 -16.2 37.3 42.0 2.1 98 111 A R T < S+ 0 0 150 -4,-0.9 -1,-0.3 1,-0.1 -2,-0.2 0.827 105.1 50.3 -85.5 -38.0 34.8 42.1 5.0 99 112 A M T 4 S+ 0 0 49 -4,-0.5 -2,-0.2 -3,-0.4 -3,-0.1 0.759 91.2 93.3 -73.7 -28.7 37.2 40.8 7.6 100 113 A A S < S- 0 0 10 -4,-2.1 -18,-0.2 1,-0.1 3,-0.1 0.255 83.7-120.2 -51.0-172.2 39.9 43.4 6.9 101 114 A D S S- 0 0 42 -20,-2.1 2,-0.2 1,-0.6 -19,-0.1 0.314 85.9 -27.9-115.6 2.3 40.1 46.7 8.8 102 115 A Q E -d 82 0B 85 -21,-0.6 -19,-1.4 -5,-0.1 -1,-0.6 -0.838 66.4-162.1 162.0 167.8 39.7 48.7 5.6 103 116 A Y E -d 83 0B 88 -2,-0.2 2,-0.5 -21,-0.2 -19,-0.2 -0.988 19.2-119.8-165.9 169.6 40.5 48.4 2.0 104 117 A I E -d 84 0B 39 -21,-2.1 -19,-1.6 -2,-0.3 2,-0.3 -0.982 33.4-118.1-124.9 120.8 40.9 50.2 -1.4 105 118 A E E -d 85 0B 143 -2,-0.5 -19,-0.2 -21,-0.2 -21,-0.1 -0.396 41.2-164.8 -58.3 117.3 38.7 49.3 -4.4 106 119 A V - 0 0 9 -21,-1.6 8,-0.1 -2,-0.3 -1,-0.0 -0.632 24.5 -74.5-106.5 165.9 41.1 48.0 -7.0 107 120 A P - 0 0 64 0, 0.0 -1,-0.1 0, 0.0 6,-0.1 -0.266 44.0-147.3 -60.3 135.6 40.9 47.3 -10.9 108 121 A G + 0 0 24 -22,-0.1 2,-0.3 6,-0.1 -22,-0.0 0.137 51.1 69.5 -87.7-159.6 38.9 44.4 -12.3 109 122 A G S S+ 0 0 36 378,-0.1 2,-0.3 3,-0.1 373,-0.1 -0.644 96.6 6.4 91.6-143.4 39.3 42.2 -15.3 110 123 A T S > S- 0 0 73 -2,-0.3 3,-2.4 1,-0.1 375,-0.1 -0.644 81.4-112.2 -78.1 136.6 42.1 39.6 -15.8 111 124 A N G > >S+ 0 0 4 1,-0.3 3,-1.0 -2,-0.3 6,-0.7 0.710 114.3 78.8 -43.0 -24.2 44.2 39.3 -12.6 112 125 A N G 3 5S+ 0 0 97 1,-0.3 -1,-0.3 372,-0.2 6,-0.1 0.503 87.4 67.1 -64.6 3.6 47.1 40.9 -14.5 113 126 A N G < 5S- 0 0 58 -3,-2.4 -1,-0.3 4,-0.1 -2,-0.1 -0.254 123.1 -13.9-116.2 41.3 45.0 43.9 -13.7 114 127 A N T < 5S+ 0 0 0 -3,-1.0 7,-0.2 -8,-0.1 -2,-0.1 -0.339 127.5 37.5 169.3 -83.7 45.4 44.0 -9.9 115 128 A Y T 5S+ 0 0 0 -4,-0.2 6,-0.1 1,-0.2 -3,-0.1 0.996 125.0 35.0 -65.2 -69.1 46.7 41.2 -7.8 116 129 A A S S+ 0 0 18 -6,-0.1 4,-1.5 3,-0.1 -1,-0.1 0.678 76.9 45.8-124.2 -39.5 53.1 44.8 -9.3 119 132 A D H > S+ 0 0 118 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.842 115.6 50.1 -74.9 -35.4 53.2 48.6 -9.6 120 133 A L H > S+ 0 0 26 2,-0.2 4,-2.8 1,-0.2 5,-0.3 0.909 107.4 54.4 -67.2 -44.0 49.5 48.8 -8.6 121 134 A I H > S+ 0 0 0 1,-0.2 4,-1.8 -7,-0.2 -2,-0.2 0.891 117.1 36.0 -56.5 -44.2 50.2 46.6 -5.6 122 135 A V H X S+ 0 0 11 -4,-1.5 4,-3.9 2,-0.2 5,-0.2 0.805 111.3 59.1 -82.2 -33.3 52.9 48.9 -4.4 123 136 A D H X S+ 0 0 77 -4,-2.7 4,-2.5 2,-0.3 -2,-0.2 0.978 112.7 41.5 -57.1 -52.5 51.2 52.1 -5.5 124 137 A I H X S+ 0 0 1 -4,-2.8 4,-3.6 1,-0.3 5,-0.4 0.946 113.2 54.6 -56.6 -48.0 48.3 51.1 -3.2 125 138 A A H X>S+ 0 0 0 -4,-1.8 4,-1.8 -5,-0.3 5,-0.6 0.895 110.3 45.2 -52.3 -43.3 51.0 50.1 -0.8 126 139 A E H <5S+ 0 0 96 -4,-3.9 -1,-0.3 2,-0.2 -2,-0.2 0.840 117.6 46.9 -70.6 -31.4 52.4 53.6 -1.0 127 140 A R H <5S+ 0 0 139 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.989 111.6 45.3 -72.6 -61.8 48.9 54.9 -0.7 128 141 A A H <5S- 0 0 15 -4,-3.6 -3,-0.2 1,-0.1 -2,-0.2 0.884 104.6-127.7 -47.1 -48.6 47.6 52.9 2.2 129 142 A D T <5 + 0 0 85 -4,-1.8 -81,-0.2 -5,-0.4 -3,-0.1 0.503 44.7 173.1 105.4 15.2 50.8 53.5 4.1 130 143 A V < - 0 0 0 -5,-0.6 -81,-0.2 -6,-0.2 3,-0.1 0.124 36.0-148.4 -48.6 160.2 51.5 49.9 4.9 131 144 A D S S+ 0 0 3 -83,-2.1 27,-3.0 1,-0.3 2,-0.3 0.786 80.4 9.6 -97.7 -41.7 54.7 48.6 6.5 132 145 A A E -be 49 158B 0 -84,-1.5 -82,-1.9 25,-0.3 -1,-0.3 -0.931 61.3-143.9-140.6 161.7 54.5 45.2 4.7 133 146 A V E -be 50 159B 0 25,-1.5 27,-2.7 -2,-0.3 2,-0.3 -0.767 10.3-164.0-119.1 164.9 52.8 43.3 1.9 134 147 A W E +b 51 0B 5 -84,-1.6 -82,-2.3 -2,-0.3 27,-0.1 -0.967 16.3 174.9-152.0 133.3 51.9 39.7 1.6 135 148 A A - 0 0 1 25,-0.5 2,-2.3 -2,-0.3 6,-0.3 0.462 18.8-165.3-117.9 -7.8 50.9 37.6 -1.4 136 149 A G - 0 0 9 24,-0.4 235,-0.4 5,-0.1 2,-0.3 -0.306 60.0 -27.9 60.0 -79.6 50.6 34.2 0.1 137 150 A W S S+ 0 0 41 -2,-2.3 3,-0.1 233,-0.1 235,-0.1 -0.961 106.5 21.9-166.5 150.3 50.6 32.2 -3.1 138 151 A G S > S+ 0 0 38 -2,-0.3 3,-3.2 1,-0.2 4,-0.1 -0.291 94.8 53.7 81.2-173.7 49.6 32.5 -6.8 139 152 A H G > S- 0 0 40 344,-0.3 3,-0.8 1,-0.3 4,-0.3 -0.157 134.8 -17.1 46.5-140.9 49.2 35.9 -8.5 140 153 A A G 3 S+ 0 0 5 1,-0.2 -1,-0.3 -88,-0.2 6,-0.2 0.301 105.5 114.5 -75.7 10.9 52.5 37.9 -7.9 141 154 A S G < S+ 0 0 8 -3,-3.2 -1,-0.2 -6,-0.3 -2,-0.1 0.792 84.7 34.6 -51.6 -30.0 53.4 35.5 -5.1 142 155 A E S < S+ 0 0 87 -3,-0.8 -1,-0.2 -4,-0.1 -2,-0.1 0.789 87.5 104.0 -96.6 -34.6 56.4 34.2 -7.2 143 156 A N > - 0 0 68 -4,-0.3 3,-0.7 1,-0.2 21,-0.1 -0.278 56.0-158.0 -51.8 122.1 57.5 37.3 -9.1 144 157 A P T 3> S+ 0 0 27 0, 0.0 4,-1.5 0, 0.0 20,-0.2 0.648 86.6 72.0 -80.9 -11.9 60.7 38.5 -7.3 145 158 A L H 3> S+ 0 0 65 1,-0.2 4,-1.2 2,-0.2 5,-0.1 0.699 84.4 74.6 -72.2 -16.6 60.3 42.0 -8.7 146 159 A L H <4 S+ 0 0 0 -3,-0.7 4,-0.4 -6,-0.2 -1,-0.2 0.950 107.1 25.6 -62.4 -53.9 57.4 42.3 -6.2 147 160 A P H >> S+ 0 0 9 0, 0.0 4,-1.9 0, 0.0 3,-0.6 0.869 116.4 63.8 -77.1 -37.7 59.4 42.6 -3.0 148 161 A E H 3< S+ 0 0 40 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.760 113.3 35.9 -55.0 -26.6 62.4 44.0 -4.8 149 162 A K T 3< S+ 0 0 66 -4,-1.2 -1,-0.3 -3,-0.1 8,-0.1 0.505 108.0 67.9-103.5 -10.9 60.2 47.0 -5.7 150 163 A L T <4 S+ 0 0 0 -3,-0.6 7,-1.9 -4,-0.4 5,-0.2 0.883 111.1 31.2 -77.7 -39.1 58.3 47.0 -2.4 151 164 A S S < S+ 0 0 25 -4,-1.9 2,-1.4 5,-0.3 5,-0.3 0.597 103.8 84.4 -89.3 -14.5 61.2 48.1 -0.3 152 165 A Q S S+ 0 0 135 -5,-0.4 2,-0.3 5,-0.1 -1,-0.2 -0.262 80.9 85.5 -80.5 44.4 62.4 50.0 -3.3 153 166 A S S > S- 0 0 24 -2,-1.4 3,-1.1 -3,-0.2 -3,-0.0 -0.884 94.5-105.9-140.4 170.3 60.2 52.9 -2.4 154 167 A K T 3 S+ 0 0 194 -2,-0.3 -2,-0.1 1,-0.2 -3,-0.1 0.248 122.1 55.2 -82.0 13.2 60.3 56.0 -0.1 155 168 A R T 3 S- 0 0 24 -5,-0.2 -1,-0.2 2,-0.0 3,-0.2 0.362 98.0-139.8-121.8 -5.1 58.0 54.0 2.2 156 169 A K < - 0 0 74 -3,-1.1 2,-0.9 -5,-0.3 -134,-0.5 0.889 19.7-160.6 41.8 58.7 60.2 50.9 2.5 157 170 A V - 0 0 1 -7,-1.9 -25,-0.3 -8,-0.1 -1,-0.2 -0.557 10.2-143.6 -71.3 105.6 57.3 48.4 2.3 158 171 A I E -e 132 0B 6 -27,-3.0 -25,-1.5 -2,-0.9 2,-0.5 -0.066 12.4-123.4 -60.1 170.5 58.8 45.2 3.8 159 172 A F E -e 133 0B 22 -141,-0.2 2,-2.4 -27,-0.2 -25,-0.2 -0.883 4.0-147.7-129.6 107.3 57.7 41.9 2.3 160 173 A I S S+ 0 0 4 -27,-2.7 -25,-0.5 -2,-0.5 -24,-0.4 -0.451 80.3 42.8 -67.4 82.7 56.1 39.2 4.3 161 174 A G S S- 0 0 11 -2,-2.4 -2,-0.2 229,-0.2 186,-0.1 -0.954 106.0 -30.5 164.1-175.1 57.7 36.5 2.2 162 175 A P - 0 0 7 0, 0.0 5,-0.1 0, 0.0 183,-0.1 -0.386 67.6-106.1 -68.6 138.7 60.9 35.4 0.5 163 176 A P >> - 0 0 10 0, 0.0 3,-2.5 0, 0.0 4,-1.0 -0.364 25.5-118.6 -62.5 140.7 63.2 38.2 -0.7 164 177 A G H >> S+ 0 0 2 1,-0.3 4,-2.3 -20,-0.2 3,-0.7 0.846 116.2 60.6 -47.2 -38.9 63.2 38.7 -4.5 165 178 A N H 3> S+ 0 0 49 1,-0.3 4,-0.6 2,-0.2 42,-0.3 0.771 96.2 60.9 -61.6 -25.6 66.9 37.9 -4.5 166 179 A A H <4 S+ 0 0 1 -3,-2.5 -1,-0.3 2,-0.1 -2,-0.2 0.900 110.6 41.6 -66.3 -37.5 65.9 34.5 -3.1 167 180 A M H X< S+ 0 0 7 -4,-1.0 3,-4.5 -3,-0.7 4,-0.3 0.977 106.4 55.8 -73.5 -62.0 63.9 34.0 -6.3 168 181 A R H 3< S+ 0 0 123 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.677 100.1 67.5 -46.8 -17.3 66.3 35.4 -9.0 169 182 A S T 3< S+ 0 0 3 -4,-0.6 -1,-0.3 -5,-0.3 -2,-0.2 0.500 93.9 61.5 -83.7 -4.5 68.7 32.9 -7.5 170 183 A L S < S+ 0 0 34 -3,-4.5 9,-0.2 173,-0.1 -2,-0.2 0.881 76.1 158.4 -80.9 -92.6 66.5 30.1 -8.8 171 184 A G - 0 0 51 -4,-0.3 -2,-0.1 4,-0.1 6,-0.0 -0.281 41.1 -16.6 97.4 179.4 66.4 30.3 -12.6 172 185 A D S > S- 0 0 45 1,-0.1 4,-1.9 4,-0.1 5,-0.3 0.126 79.4 -87.5 -50.5 173.7 65.6 28.1 -15.5 173 186 A K H > S+ 0 0 103 68,-0.4 4,-0.6 3,-0.2 -1,-0.1 0.604 123.3 51.4 -63.4 -12.9 65.6 24.3 -15.2 174 187 A I H >> S+ 0 0 0 2,-0.2 4,-2.4 3,-0.1 3,-0.6 0.896 113.9 33.0 -86.9 -82.9 69.3 24.2 -15.9 175 188 A S H 3> S+ 0 0 16 1,-0.3 4,-4.2 2,-0.2 5,-0.4 0.859 117.4 60.8 -38.3 -46.8 71.1 26.6 -13.6 176 189 A S H 3X S+ 0 0 21 -4,-1.9 4,-2.6 1,-0.2 -1,-0.3 0.954 109.9 39.4 -46.4 -60.9 68.4 25.8 -11.0 177 190 A T H X S+ 0 0 0 -4,-2.4 3,-1.5 2,-0.2 4,-1.2 0.954 111.6 49.4 -54.1 -52.5 73.2 22.8 -11.2 179 192 A V H >X S+ 0 0 5 -4,-4.2 4,-1.2 1,-0.3 3,-1.0 0.918 112.6 47.8 -52.3 -43.9 72.9 25.3 -8.4 180 193 A A H 3<>S+ 0 0 1 -4,-2.6 5,-1.6 -5,-0.4 -1,-0.3 0.630 101.7 65.2 -71.2 -13.7 71.0 22.7 -6.4 181 194 A Q H X<5S+ 0 0 16 -3,-1.5 3,-0.8 -4,-1.0 -1,-0.3 0.784 98.0 57.3 -75.6 -26.4 73.8 20.3 -7.5 182 195 A S H <<5S+ 0 0 35 -4,-1.2 2,-0.5 -3,-1.0 -2,-0.2 0.975 98.3 53.7 -65.1 -58.4 75.9 22.6 -5.3 183 196 A A T 3<5S- 0 0 7 -4,-1.2 -1,-0.3 1,-0.1 -2,-0.1 0.147 120.5-116.6 -65.7 24.3 73.9 22.1 -2.1 184 197 A K T < 5 + 0 0 165 -3,-0.8 -3,-0.2 -2,-0.5 -2,-0.1 0.855 55.5 165.1 34.9 65.2 74.6 18.5 -3.0 185 198 A V < - 0 0 5 -5,-1.6 179,-0.3 -8,-0.2 -1,-0.2 -0.934 46.7-111.8-107.8 108.3 71.0 17.6 -3.5 186 199 A P - 0 0 66 0, 0.0 178,-1.3 0, 0.0 2,-0.2 -0.138 46.4-168.1 -42.5 118.2 70.7 14.2 -5.4 187 200 A C - 0 0 21 176,-0.3 178,-0.1 -6,-0.1 3,-0.1 -0.720 25.3 -90.7-112.7 165.8 69.3 15.2 -8.8 188 201 A I - 0 0 14 176,-0.4 5,-0.1 -2,-0.2 -1,-0.1 -0.481 55.4 -90.5 -74.0 138.5 67.9 13.3 -11.7 189 202 A P + 0 0 43 0, 0.0 89,-3.1 0, 0.0 2,-0.2 -0.215 68.6 131.2 -53.2 127.8 70.3 12.2 -14.5 190 203 A W B S-F 277 0C 14 87,-0.3 87,-0.3 -3,-0.1 -3,-0.0 -0.743 71.9 -70.5-153.6-161.3 70.7 14.8 -17.2 191 204 A S S S+ 0 0 13 85,-0.6 27,-0.2 -2,-0.2 86,-0.1 0.830 128.6 47.1 -75.6 -32.2 73.4 16.6 -19.2 192 205 A G S > S+ 0 0 0 25,-0.4 3,-2.6 84,-0.1 -1,-0.2 0.637 75.9 131.7 -85.0 -15.3 74.4 18.7 -16.2 193 206 A T T 3 S+ 0 0 71 1,-0.3 3,-0.1 -5,-0.1 -15,-0.0 -0.076 77.4 26.3 -37.3 130.8 74.6 15.9 -13.7 194 207 A G T 3 S+ 0 0 54 1,-0.2 2,-0.7 -16,-0.1 -1,-0.3 0.435 95.6 114.1 87.8 -1.6 78.0 16.4 -12.0 195 208 A V < + 0 0 5 -3,-2.6 -1,-0.2 1,-0.1 -14,-0.2 -0.907 24.9 142.5-106.4 109.6 77.9 20.1 -12.7 196 209 A D + 0 0 76 -2,-0.7 2,-0.5 -15,-0.2 -12,-0.1 -0.101 17.7 131.6-142.2 38.1 77.7 22.0 -9.5 197 210 A T + 0 0 75 13,-0.1 2,-0.3 16,-0.1 13,-0.1 -0.844 25.9 162.2 -95.3 127.3 79.8 25.0 -9.7 198 211 A V - 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