==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSPORT PROTEIN 17-SEP-08 3EIW . COMPND 2 MOLECULE: HTSA PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS SUBSP. AUREUS; . AUTHOR J.C.GRIGG,M.E.P.MURPHY . 292 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14811.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 208 71.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 28 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 21 7.2 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 . 4 1.4 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 2.4 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 3 1 1 3 2 1 0 0 0 0 1 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 1 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 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 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 A 0 0 141 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 101.4 15.9 16.9 8.1 2 37 A S - 0 0 76 2,-0.0 15,-2.3 1,-0.0 16,-0.4 -0.604 360.0-160.5 -78.4 148.5 15.6 16.9 11.9 3 38 A T E -A 16 0A 60 13,-0.3 2,-0.5 -2,-0.2 11,-0.1 -0.881 21.1-135.2-128.3 162.6 13.7 13.9 13.2 4 39 A I E -A 15 0A 23 11,-2.7 11,-2.9 -2,-0.3 2,-0.5 -0.986 25.7-141.6-113.7 119.5 11.8 12.8 16.3 5 40 A S E +A 14 0A 53 -2,-0.5 2,-0.3 9,-0.2 9,-0.2 -0.686 29.9 167.7 -79.7 124.9 12.7 9.2 17.4 6 41 A V E -A 13 0A 4 7,-2.5 7,-2.8 -2,-0.5 2,-0.4 -0.943 32.9-118.1-131.7 161.2 9.7 7.2 18.6 7 42 A K E +A 12 0A 142 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.812 35.2 168.1 -95.4 132.5 9.1 3.6 19.4 8 43 A D E > -A 11 0A 17 3,-3.2 3,-1.3 -2,-0.4 100,-0.2 -0.633 56.4 -74.9-126.2-164.9 6.4 1.7 17.4 9 44 A E T 3 S+ 0 0 86 98,-3.0 99,-0.1 1,-0.3 3,-0.1 0.586 130.2 46.6 -74.8 -6.9 5.6 -2.0 17.2 10 45 A N T 3 S- 0 0 94 1,-0.3 2,-0.4 97,-0.2 -1,-0.3 0.359 120.0 -97.0-110.2 2.7 8.6 -2.7 14.9 11 46 A G E < S+A 8 0A 31 -3,-1.3 -3,-3.2 2,-0.0 -1,-0.3 -0.959 79.7 5.0 122.1-139.8 11.2 -0.8 16.9 12 47 A T E -A 7 0A 77 -2,-0.4 2,-0.4 -5,-0.2 -5,-0.2 -0.634 54.4-172.6 -86.1 142.4 12.5 2.8 16.3 13 48 A V E -A 6 0A 20 -7,-2.8 -7,-2.5 -2,-0.3 2,-0.8 -0.998 17.0-144.5-129.9 132.9 11.0 5.1 13.7 14 49 A K E -A 5 0A 121 -2,-0.4 -9,-0.2 -9,-0.2 -2,-0.0 -0.884 19.7-162.3 -97.8 108.8 12.5 8.5 12.9 15 50 A V E -A 4 0A 0 -11,-2.9 -11,-2.7 -2,-0.8 69,-0.1 -0.800 22.9-114.6 -94.5 126.1 9.6 10.8 12.2 16 51 A P E > -A 3 0A 25 0, 0.0 3,-1.5 0, 0.0 -13,-0.3 -0.309 14.8-134.5 -58.7 140.4 10.5 14.0 10.3 17 52 A K T 3 S+ 0 0 108 -15,-2.3 -14,-0.1 1,-0.3 -2,-0.0 0.657 105.5 58.8 -66.9 -16.1 9.9 17.1 12.4 18 53 A D T 3 S+ 0 0 98 -16,-0.4 2,-0.4 65,-0.1 -1,-0.3 0.264 72.8 137.2 -97.5 13.3 8.2 18.7 9.4 19 54 A A < + 0 0 17 -3,-1.5 3,-0.1 1,-0.2 -4,-0.0 -0.441 9.2 137.4 -65.7 119.5 5.5 15.9 9.1 20 55 A K + 0 0 139 -2,-0.4 2,-0.6 1,-0.2 19,-0.2 0.565 52.5 67.9-132.6 -29.8 2.1 17.6 8.4 21 56 A R + 0 0 94 60,-0.1 62,-2.8 19,-0.1 63,-1.2 -0.917 67.7 179.4-109.3 112.2 0.4 15.5 5.7 22 57 A I E -b 84 0B 2 -2,-0.6 19,-2.1 17,-0.3 20,-1.2 -0.920 24.0-154.3-127.8 134.7 -0.5 12.1 7.1 23 58 A V E -bc 85 42B 0 61,-2.1 63,-2.8 -2,-0.4 2,-0.4 -0.933 17.9-162.2-104.7 130.7 -2.3 9.0 5.8 24 59 A V E -bc 86 43B 0 18,-2.5 20,-1.9 -2,-0.5 42,-0.2 -0.952 14.9-165.1-120.2 139.5 -4.0 6.8 8.4 25 60 A L S S+ 0 0 0 61,-2.6 2,-0.3 -2,-0.4 63,-0.2 0.127 71.0 47.8-112.4 16.9 -5.1 3.2 7.9 26 61 A E S > S- 0 0 0 60,-0.2 4,-1.1 1,-0.1 3,-0.4 -0.977 78.5-120.9-147.9 159.2 -7.4 2.7 10.9 27 62 A Y H > S+ 0 0 8 -2,-0.3 4,-2.1 242,-0.3 3,-0.4 0.889 109.6 59.0 -68.3 -39.2 -10.3 4.7 12.4 28 63 A S H > S+ 0 0 8 241,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.849 102.9 54.4 -57.5 -36.5 -8.7 5.1 15.8 29 64 A F H > S+ 0 0 1 -3,-0.4 4,-2.3 2,-0.2 -1,-0.2 0.845 104.9 52.7 -69.2 -34.0 -5.8 6.9 14.2 30 65 A A H X S+ 0 0 0 -4,-1.1 4,-2.5 -3,-0.4 -2,-0.2 0.908 109.9 49.4 -65.4 -40.2 -8.1 9.4 12.4 31 66 A D H X S+ 0 0 10 -4,-2.1 4,-2.5 239,-0.2 -2,-0.2 0.919 108.9 53.6 -60.4 -44.0 -9.6 10.1 15.9 32 67 A A H X S+ 0 0 3 -4,-2.2 4,-1.0 1,-0.2 -2,-0.2 0.937 111.1 44.8 -58.8 -49.3 -6.1 10.6 17.3 33 68 A L H ><>S+ 0 0 0 -4,-2.3 5,-2.4 1,-0.2 3,-0.8 0.925 112.2 51.1 -61.7 -44.9 -5.2 13.1 14.7 34 69 A A H ><5S+ 0 0 6 -4,-2.5 3,-1.6 1,-0.3 -1,-0.2 0.882 106.4 55.0 -61.0 -37.3 -8.5 15.0 15.0 35 70 A A H 3<5S+ 0 0 21 -4,-2.5 -1,-0.3 1,-0.3 -2,-0.2 0.807 110.1 47.6 -63.2 -28.4 -7.9 15.2 18.8 36 71 A L T <<5S- 0 0 3 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.204 121.0-107.6 -96.8 12.1 -4.5 16.8 18.0 37 72 A D T < 5S+ 0 0 117 -3,-1.6 2,-0.4 1,-0.2 -3,-0.2 0.866 77.7 132.4 59.4 38.6 -6.0 19.3 15.5 38 73 A V < - 0 0 22 -5,-2.4 -1,-0.2 -8,-0.1 -2,-0.2 -0.976 47.7-149.5-119.3 134.7 -4.5 17.5 12.5 39 74 A K - 0 0 125 -2,-0.4 -17,-0.3 -19,-0.2 -9,-0.0 -0.909 19.7-134.4-103.7 109.7 -6.5 16.7 9.4 40 75 A P - 0 0 1 0, 0.0 -17,-0.2 0, 0.0 3,-0.1 -0.343 2.6-146.4 -60.6 148.4 -5.3 13.5 7.7 41 76 A V S S+ 0 0 30 -19,-2.1 23,-1.9 1,-0.2 2,-0.3 0.699 82.8 23.7 -87.7 -22.2 -4.9 13.7 4.0 42 77 A G E -cd 23 64B 0 -20,-1.2 -18,-2.5 21,-0.2 2,-0.3 -0.996 64.7-176.3-142.6 147.2 -5.9 10.1 3.4 43 78 A I E -cd 24 65B 0 21,-1.8 23,-2.2 -2,-0.3 2,-1.4 -0.995 31.4-129.1-142.2 136.5 -7.9 7.6 5.4 44 79 A A + 0 0 0 -20,-1.9 25,-0.1 -2,-0.3 24,-0.1 -0.731 44.0 160.7 -81.4 91.5 -8.6 3.9 4.9 45 80 A D > - 0 0 6 -2,-1.4 3,-2.2 22,-0.2 6,-0.3 0.198 55.8-115.8-103.3 12.7 -12.4 4.3 5.4 46 81 A D T 3 - 0 0 29 21,-2.2 22,-0.2 1,-0.3 -2,-0.1 0.707 66.6 -71.6 60.8 21.8 -13.6 1.1 3.7 47 82 A G T 3 S+ 0 0 62 20,-0.5 2,-0.5 1,-0.1 -1,-0.3 0.695 114.1 112.2 69.5 18.0 -15.3 3.4 1.1 48 83 A K X - 0 0 109 -3,-2.2 3,-2.3 1,-0.1 4,-0.4 -0.862 49.1-169.2-129.3 96.4 -17.8 4.3 3.8 49 84 A K G > S+ 0 0 155 -2,-0.5 3,-1.7 1,-0.3 -1,-0.1 0.852 88.4 63.1 -51.1 -35.0 -17.7 7.9 5.0 50 85 A K G 3 S+ 0 0 150 1,-0.3 -1,-0.3 7,-0.0 4,-0.2 0.642 84.1 75.4 -71.1 -13.5 -20.1 7.0 7.8 51 86 A R G < S+ 0 0 38 -3,-2.3 2,-0.7 -6,-0.3 -1,-0.3 0.732 80.4 79.4 -68.2 -22.9 -17.6 4.6 9.3 52 87 A I S < S- 0 0 4 -3,-1.7 5,-0.1 -4,-0.4 214,-0.1 -0.817 102.3-109.1 -88.9 116.5 -15.7 7.7 10.6 53 88 A I >> - 0 0 22 -2,-0.7 4,-2.7 212,-0.1 3,-0.9 -0.082 30.1-110.7 -54.1 139.5 -17.6 8.7 13.7 54 89 A K H 3> S+ 0 0 108 1,-0.2 4,-2.8 2,-0.2 5,-0.3 0.793 111.6 46.2 -44.6 -52.3 -19.6 11.9 13.2 55 90 A P H 3> S+ 0 0 58 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.878 118.9 43.8 -64.4 -33.1 -17.7 14.4 15.5 56 91 A V H <> S+ 0 0 6 -3,-0.9 4,-2.5 2,-0.2 5,-0.2 0.941 113.8 50.7 -69.9 -48.9 -14.3 13.2 14.1 57 92 A R H X S+ 0 0 48 -4,-2.7 4,-2.1 1,-0.2 -3,-0.2 0.875 112.2 47.1 -51.9 -45.9 -15.6 13.2 10.5 58 93 A E H < S+ 0 0 122 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.842 111.8 50.2 -75.5 -31.6 -17.0 16.7 10.8 59 94 A K H < S+ 0 0 93 -4,-1.4 -2,-0.2 -5,-0.3 -1,-0.2 0.928 112.5 46.1 -69.7 -44.1 -13.8 18.0 12.4 60 95 A I H < S- 0 0 4 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.905 87.8-176.0 -65.0 -42.2 -11.5 16.5 9.7 61 96 A G < + 0 0 36 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.1 -0.469 49.6 13.2 74.4-149.9 -13.6 17.7 6.7 62 97 A D S S+ 0 0 161 -2,-0.1 2,-0.3 -4,-0.1 -4,-0.0 -0.282 70.7 154.0 -65.9 134.6 -12.5 16.6 3.2 63 98 A Y - 0 0 35 -20,-0.0 2,-0.5 -2,-0.0 -21,-0.2 -0.908 43.2-102.3-146.8 174.7 -9.9 13.9 2.8 64 99 A T E -d 42 0B 59 -23,-1.9 -21,-1.8 -2,-0.3 2,-0.3 -0.903 31.4-128.2-105.8 128.5 -9.0 11.3 0.2 65 100 A S E -d 43 0B 46 -2,-0.5 -21,-0.2 -23,-0.2 3,-0.1 -0.574 15.9-168.9 -74.3 135.2 -10.1 7.7 0.7 66 101 A V - 0 0 1 -23,-2.2 7,-3.0 1,-0.4 2,-0.2 0.079 45.7-114.8-108.5 21.4 -7.3 5.1 0.4 67 102 A G B +F 72 0C 23 -24,-0.4 -21,-2.2 5,-0.2 -20,-0.5 -0.550 62.8 2.1 92.5-150.2 -9.8 2.2 0.3 68 103 A T - 0 0 50 3,-0.6 -23,-0.1 -22,-0.2 -24,-0.0 -0.445 51.1-132.5 -80.6 156.8 -10.2 -0.7 2.8 69 104 A R S S+ 0 0 15 1,-0.2 19,-0.1 2,-0.2 -1,-0.1 0.876 109.6 54.6 -66.8 -36.8 -8.5 -1.3 6.0 70 105 A K S S+ 0 0 151 1,-0.2 -1,-0.2 22,-0.0 -3,-0.0 0.925 129.1 12.0 -62.6 -44.4 -7.9 -4.9 5.0 71 106 A Q S S- 0 0 139 24,-0.0 -3,-0.6 2,-0.0 -1,-0.2 -0.633 80.4-160.6-140.3 73.1 -6.3 -4.0 1.7 72 107 A P B -F 67 0C 11 0, 0.0 2,-1.0 0, 0.0 -5,-0.2 -0.164 29.1-111.1 -55.1 148.2 -5.3 -0.3 1.4 73 108 A N > - 0 0 64 -7,-3.0 4,-1.8 1,-0.2 3,-0.2 -0.771 29.1-169.7 -87.0 102.3 -4.7 1.1 -2.0 74 109 A L H > S+ 0 0 31 -2,-1.0 4,-2.8 1,-0.2 5,-0.2 0.760 85.3 60.0 -68.0 -24.4 -0.9 1.8 -2.1 75 110 A E H > S+ 0 0 147 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.920 107.7 45.6 -64.5 -43.1 -1.3 3.6 -5.5 76 111 A E H > S+ 0 0 53 2,-0.2 4,-1.2 1,-0.2 -2,-0.2 0.852 113.5 49.1 -70.8 -32.1 -3.6 6.1 -3.7 77 112 A I H < S+ 0 0 0 -4,-1.8 4,-0.5 2,-0.2 -2,-0.2 0.930 113.0 47.2 -69.8 -45.6 -1.3 6.4 -0.8 78 113 A S H >< S+ 0 0 62 -4,-2.8 3,-1.2 1,-0.2 -2,-0.2 0.887 107.8 56.0 -64.5 -38.8 1.7 7.0 -3.1 79 114 A K H 3< S+ 0 0 157 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.847 102.0 57.4 -61.5 -33.7 -0.2 9.6 -5.1 80 115 A L T 3< S- 0 0 24 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.658 94.0-150.3 -71.2 -14.9 -0.9 11.6 -1.9 81 116 A K < - 0 0 167 -3,-1.2 -3,-0.1 -4,-0.5 -2,-0.1 0.859 25.4-164.8 43.6 51.9 2.9 11.8 -1.4 82 117 A P - 0 0 8 0, 0.0 -60,-0.2 0, 0.0 3,-0.1 -0.125 29.5-137.0 -66.9 159.7 2.4 11.9 2.5 83 118 A D S S+ 0 0 46 -62,-2.8 2,-0.3 1,-0.3 -61,-0.2 0.693 89.5 9.5 -79.2 -27.5 4.9 12.9 5.1 84 119 A L E -b 22 0B 0 -63,-1.2 -61,-2.1 19,-0.1 2,-0.4 -0.985 62.4-151.5-156.1 141.4 4.0 10.0 7.4 85 120 A I E -be 23 105B 0 19,-2.3 21,-2.8 -2,-0.3 2,-0.6 -0.978 8.4-154.6-117.9 136.2 1.8 6.9 7.2 86 121 A I E -be 24 106B 0 -63,-2.8 -61,-2.6 -2,-0.4 2,-0.3 -0.960 23.4-179.3-113.5 113.7 0.1 5.4 10.3 87 122 A A E - e 0 107B 1 19,-3.3 21,-2.6 -2,-0.6 2,-0.5 -0.712 31.2-105.2-114.9 156.1 -0.5 1.7 9.9 88 123 A D E > - e 0 108B 0 -2,-0.3 4,-2.3 19,-0.2 21,-0.2 -0.735 20.6-141.6 -87.6 131.4 -2.0 -1.0 12.0 89 124 A S T 4 S+ 0 0 4 19,-2.3 20,-0.2 -2,-0.5 -1,-0.1 0.636 100.6 36.2 -67.6 -18.3 0.5 -3.4 13.6 90 125 A S T >4 S+ 0 0 45 18,-0.3 3,-0.6 2,-0.1 -1,-0.2 0.816 122.4 39.6 -95.3 -47.5 -1.8 -6.4 13.1 91 126 A R T 34 S+ 0 0 62 1,-0.2 3,-0.3 2,-0.1 -2,-0.2 0.773 117.3 44.3 -70.3 -30.4 -3.5 -5.6 9.7 92 127 A H T 3X + 0 0 4 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.117 67.9 109.6-118.6 22.1 -0.6 -4.1 7.8 93 128 A K T X4 S+ 0 0 134 -3,-0.6 3,-0.6 1,-0.2 4,-0.5 0.902 82.7 55.2 -60.6 -38.6 2.5 -6.3 8.4 94 129 A G T 34 S+ 0 0 68 -3,-0.3 3,-0.3 1,-0.2 4,-0.3 0.883 113.9 38.0 -62.4 -40.5 2.2 -7.6 4.8 95 130 A I T 3> S+ 0 0 31 1,-0.2 4,-2.9 -4,-0.1 5,-0.2 0.481 87.4 100.3 -92.4 -0.1 2.3 -4.1 3.2 96 131 A N H S+ 0 0 153 -4,-0.5 4,-1.1 -3,-0.3 -1,-0.2 0.937 114.4 45.0 -53.3 -48.6 7.8 -3.0 3.3 98 133 A E H > S+ 0 0 103 -4,-0.3 4,-0.8 1,-0.2 3,-0.3 0.882 111.5 53.0 -65.2 -40.1 5.8 -1.2 0.5 99 134 A L H >X S+ 0 0 0 -4,-2.9 4,-2.1 1,-0.2 3,-1.2 0.924 103.4 56.6 -63.2 -39.9 4.6 1.5 2.8 100 135 A N H 3< S+ 0 0 72 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.812 100.0 59.4 -65.3 -27.2 8.1 2.3 4.0 101 136 A K H 3< S+ 0 0 159 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.783 110.3 43.8 -64.2 -30.3 9.1 3.0 0.3 102 137 A I H << S- 0 0 45 -3,-1.2 -2,-0.2 -4,-0.8 -1,-0.2 0.895 128.6 -31.6 -82.1 -46.5 6.4 5.7 0.2 103 138 A A S < S- 0 0 6 -4,-2.1 -1,-0.3 -18,-0.0 -19,-0.1 -0.983 79.8 -60.7-166.8 159.5 7.0 7.5 3.5 104 139 A P - 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l 0 263D 15 33,-2.6 3,-2.3 -2,-0.6 35,-2.2 -0.948 46.2 -85.4-131.6 156.2 -24.7 -4.5 15.5 230 265 A D G > S- 0 0 66 -2,-0.3 3,-1.6 1,-0.3 33,-0.1 -0.353 116.0 -3.0 -58.4 129.5 -24.4 -2.5 12.3 231 266 A H G 3 S- 0 0 137 1,-0.3 -1,-0.3 3,-0.0 32,-0.2 0.585 115.8 -85.3 61.8 13.6 -26.6 0.6 12.6 232 267 A A G < S+ 0 0 43 -3,-2.3 -1,-0.3 30,-0.4 2,-0.3 0.845 83.6 157.0 54.8 38.4 -27.8 -0.6 16.0 233 268 A K < - 0 0 124 -3,-1.6 -1,-0.2 29,-0.1 3,-0.1 -0.651 32.2-171.7 -91.9 149.0 -30.4 -2.7 14.2 234 269 A K + 0 0 123 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.0 0.229 69.3 80.2-125.5 16.0 -32.0 -5.7 15.8 235 270 A D + 0 0 100 4,-0.1 -1,-0.1 5,-0.0 -2,-0.0 0.109 55.7 132.6-112.3 18.2 -33.9 -7.1 12.9 236 271 A S > - 0 0 41 -3,-0.1 4,-2.6 1,-0.1 5,-0.2 -0.340 68.3-115.0 -63.8 152.1 -31.2 -8.9 10.9 237 272 A A H > S+ 0 0 80 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.906 115.0 48.3 -51.7 -47.2 -32.1 -12.4 9.8 238 273 A E H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.925 113.7 45.7 -61.3 -48.4 -29.4 -14.0 12.0 239 274 A F H > S+ 0 0 0 1,-0.2 4,-2.9 2,-0.2 -2,-0.2 0.882 109.7 54.9 -69.3 -36.4 -30.4 -12.0 15.1 240 275 A K H X S+ 0 0 79 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.912 106.5 50.2 -62.4 -40.9 -34.1 -12.7 14.6 241 276 A K H X S+ 0 0 152 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.896 113.6 48.1 -63.4 -38.1 -33.5 -16.5 14.5 242 277 A L H >< S+ 0 0 3 -4,-1.7 3,-1.3 1,-0.2 6,-0.2 0.936 109.9 49.9 -63.4 -48.7 -31.5 -16.1 17.7 243 278 A Q H 3< S+ 0 0 42 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.701 108.5 55.0 -67.8 -17.9 -34.2 -14.0 19.3 244 279 A E H 3< S+ 0 0 132 -4,-1.4 -1,-0.3 -5,-0.2 -2,-0.2 0.587 84.1 114.3 -87.6 -12.5 -36.8 -16.6 18.4 245 280 A D S+ 0 0 70 1,-0.2 4,-0.6 2,-0.2 -1,-0.1 0.827 106.2 48.6 -67.1 -36.6 -36.5 -21.1 23.2 247 282 A T H >4 S+ 0 0 45 2,-0.2 3,-1.0 1,-0.2 4,-0.5 0.902 107.6 56.7 -70.8 -40.7 -33.3 -21.0 25.3 248 283 A W H >4 S+ 0 0 11 1,-0.2 3,-1.7 -6,-0.2 6,-0.3 0.916 102.7 55.1 -51.9 -46.8 -32.8 -17.3 24.4 249 284 A K H 3< S+ 0 0 127 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.720 105.2 53.1 -64.6 -22.4 -36.2 -16.5 25.8 250 285 A K T << S+ 0 0 135 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.492 82.0 119.5 -90.3 -6.4 -35.4 -18.0 29.1 251 286 A L <> - 0 0 5 -3,-1.7 4,-2.8 -4,-0.5 5,-0.3 -0.361 68.4-130.6 -66.8 141.3 -32.2 -16.0 29.6 252 287 A N H > S+ 0 0 43 1,-0.2 4,-1.7 2,-0.2 6,-0.2 0.896 107.7 50.7 -57.9 -43.0 -32.0 -13.7 32.7 253 288 A A H 4>S+ 0 0 0 -31,-0.7 5,-2.9 2,-0.2 -1,-0.2 0.884 113.5 44.9 -66.4 -35.2 -30.9 -10.7 30.6 254 289 A V H >45S+ 0 0 43 -6,-0.3 3,-1.6 -3,-0.2 -2,-0.2 0.963 112.8 48.7 -72.7 -50.6 -33.8 -11.2 28.1 255 290 A K H 3<5S+ 0 0 137 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.820 116.1 45.5 -56.0 -33.2 -36.6 -11.8 30.6 256 291 A N T 3<5S- 0 0 79 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.154 112.8-111.3-106.3 16.2 -35.5 -8.7 32.6 257 292 A N T < 5S+ 0 0 108 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.1 0.872 76.3 129.9 60.1 43.1 -35.0 -6.2 29.8 258 293 A R < + 0 0 41 -5,-2.9 -33,-2.8 -6,-0.2 2,-0.5 -0.115 36.9 101.7-119.3 34.7 -31.2 -6.0 30.2 259 294 A V E -l 225 0D 28 -6,-0.2 2,-0.4 -35,-0.2 -33,-0.2 -0.982 48.6-176.1-117.2 119.7 -30.2 -6.6 26.5 260 295 A D E -l 226 0D 30 -35,-2.2 -33,-2.8 -2,-0.5 2,-0.6 -0.980 17.1-147.3-121.9 133.8 -29.3 -3.4 24.7 261 296 A I E -l 227 0D 33 -2,-0.4 2,-0.2 -35,-0.2 -33,-0.2 -0.876 27.0-179.5-100.9 121.9 -28.4 -3.3 21.0 262 297 A V E -l 228 0D 1 -35,-2.6 -33,-2.6 -2,-0.6 2,-0.4 -0.763 36.1 -79.4-123.1 167.3 -25.8 -0.6 20.3 263 298 A D E > -l 229 0D 41 -2,-0.2 4,-2.8 -35,-0.2 5,-0.2 -0.523 29.7-155.9 -77.2 120.0 -23.9 0.7 17.2 264 299 A R H >>S+ 0 0 75 -35,-2.2 4,-2.3 -2,-0.4 5,-1.8 0.782 91.9 57.2 -64.6 -32.1 -21.1 -1.6 16.1 265 300 A D H 4>S+ 0 0 18 -36,-0.3 5,-1.6 3,-0.2 -1,-0.2 0.923 114.8 37.3 -66.6 -41.8 -19.2 1.3 14.3 266 301 A V H 4>S+ 0 0 28 3,-0.2 5,-0.5 1,-0.1 6,-0.2 0.945 126.9 35.1 -72.0 -48.5 -19.1 3.3 17.5 267 302 A W H <5S+ 0 0 0 -4,-2.8 -3,-0.2 3,-0.1 -2,-0.2 0.841 132.2 17.7 -80.4 -39.8 -18.5 0.5 20.0 268 303 A A T <5S+ 0 0 16 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.1 0.820 127.2 35.9-103.3 -39.8 -16.3 -2.0 18.1 269 304 A R T S- 0 0 5 -6,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.475 76.3-101.5-110.8-175.3 -11.0 6.4 19.7 273 308 A L H > S+ 0 0 3 -245,-0.2 4,-1.8 2,-0.2 5,-0.1 0.919 121.9 45.3 -70.9 -47.4 -11.3 9.0 22.4 274 309 A I H > S+ 0 0 39 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.935 113.7 49.2 -63.0 -45.2 -14.6 10.4 21.0 275 310 A S H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.909 110.7 48.5 -65.1 -42.8 -16.1 7.0 20.4 276 311 A S H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.897 111.0 52.5 -64.5 -33.9 -15.3 5.7 24.0 277 312 A E H X S+ 0 0 14 -4,-1.8 4,-2.5 1,-0.2 -2,-0.2 0.924 110.8 47.7 -63.1 -41.9 -16.8 9.0 25.3 278 313 A E H X S+ 0 0 73 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.809 108.9 53.5 -70.0 -31.7 -20.0 8.3 23.3 279 314 A M H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.932 112.0 44.9 -65.5 -44.3 -20.1 4.6 24.5 280 315 A A H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -2,-0.2 0.911 112.1 51.4 -65.7 -44.7 -20.0 5.8 28.1 281 316 A K H X S+ 0 0 75 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.884 108.2 52.8 -58.9 -41.4 -22.6 8.6 27.4 282 317 A E H X S+ 0 0 52 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.920 106.4 52.5 -63.6 -41.9 -24.9 6.0 25.9 283 318 A L H X S+ 0 0 2 -4,-2.0 4,-2.3 2,-0.2 -129,-0.2 0.904 107.6 52.6 -60.2 -40.1 -24.6 3.8 28.9 284 319 A V H X S+ 0 0 14 -4,-2.0 4,-1.1 2,-0.2 -130,-0.3 0.970 111.6 46.0 -58.5 -50.9 -25.6 6.7 31.1 285 320 A E H >X S+ 0 0 108 -4,-2.4 3,-0.9 1,-0.2 4,-0.5 0.928 112.6 49.1 -58.0 -49.4 -28.7 7.4 29.0 286 321 A L H >< S+ 0 0 32 -4,-3.0 3,-1.1 1,-0.2 -1,-0.2 0.908 109.3 53.3 -56.1 -39.6 -29.7 3.7 28.9 287 322 A S H 3< S+ 0 0 13 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.704 107.8 51.9 -71.9 -19.6 -29.3 3.5 32.7 288 323 A K H << S+ 0 0 95 -4,-1.1 -1,-0.3 -3,-0.9 -2,-0.2 0.406 82.1 116.3 -99.3 -2.4 -31.6 6.5 33.2 289 324 A K S << S- 0 0 121 -3,-1.1 -3,-0.0 -4,-0.5 -4,-0.0 -0.341 90.5 -65.8 -63.8 151.2 -34.5 5.2 31.1 290 325 A E - 0 0 172 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 -0.124 48.8-137.9 -38.1 111.2 -37.8 4.5 32.8 291 326 A Q 0 0 185 1,-0.2 -1,-0.1 -3,-0.2 -2,-0.1 0.906 360.0 360.0 -44.7 -56.9 -36.9 1.7 35.1 292 327 A K 0 0 221 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 -0.016 360.0 360.0 54.3 360.0 -40.2 -0.1 34.3