==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 01-MAR-07 2P0V . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN BT3781; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR F.FOROUHAR,Y.CHEN,J.SEETHARAMAN,H.JANJUA,R.XIAO,J.LIU, . 886 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30273.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 602 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.7 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 . 53 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 87 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 324 36.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 6 2 0 2 0 2 4 0 0 4 0 0 4 0 2 0 4 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 6 10 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 6 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 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 39 A Y 0 0 180 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 106.8 7.6 52.2 13.0 2 40 A Q - 0 0 169 1,-0.1 34,-0.0 2,-0.0 0, 0.0 -0.888 360.0-103.2-111.2 139.8 4.3 50.4 13.3 3 41 A T - 0 0 46 -2,-0.4 34,-0.1 1,-0.1 -1,-0.1 -0.113 12.1-147.8 -58.1 152.0 2.9 47.9 10.7 4 42 A N + 0 0 68 32,-0.3 -1,-0.1 393,-0.1 33,-0.0 0.330 59.0 123.4-101.2 3.8 0.1 48.9 8.3 5 43 A R S S- 0 0 11 1,-0.1 3,-0.1 6,-0.0 35,-0.1 -0.364 71.8-115.0 -62.6 147.0 -1.3 45.4 8.2 6 44 A P - 0 0 55 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.943 58.0 -75.7 -47.9 -87.4 -5.0 45.3 9.3 7 45 A E >> - 0 0 114 40,-0.1 3,-2.1 1,-0.1 4,-1.7 -0.816 31.7-103.2 179.3 139.7 -5.0 43.3 12.5 8 46 A A T 34 S+ 0 0 73 1,-0.3 3,-0.1 -2,-0.2 -1,-0.1 0.784 124.3 44.1 -38.8 -39.0 -4.8 39.7 13.6 9 47 A S T 34 S+ 0 0 86 1,-0.2 -1,-0.3 -3,-0.1 0, 0.0 0.711 114.5 47.8 -83.9 -21.3 -8.5 39.7 14.1 10 48 A K T <4 S+ 0 0 144 -3,-2.1 2,-0.3 0, 0.0 -2,-0.2 0.538 83.2 112.7 -95.5 -7.4 -9.4 41.5 10.9 11 49 A R < - 0 0 54 -4,-1.7 37,-0.2 1,-0.1 36,-0.2 -0.508 58.5-149.9 -71.2 125.3 -7.2 39.4 8.6 12 50 A L S S+ 0 0 84 35,-2.2 2,-0.4 -2,-0.3 40,-0.2 0.868 79.7 18.6 -62.6 -41.7 -9.3 37.4 6.2 13 51 A F - 0 0 11 33,-1.8 2,-0.5 38,-0.1 -1,-0.2 -0.999 68.4-157.5-136.6 135.8 -6.8 34.5 5.8 14 52 A V - 0 0 64 -2,-0.4 2,-0.5 -3,-0.1 75,-0.0 -0.945 7.2-175.7-117.9 131.2 -3.9 33.5 8.1 15 53 A S > - 0 0 1 -2,-0.5 4,-2.2 1,-0.1 5,-0.1 -0.973 13.1-161.9-125.6 115.9 -0.9 31.4 7.1 16 54 A Q H > S+ 0 0 122 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.890 94.3 54.7 -63.2 -39.4 1.6 30.4 9.8 17 55 A E H > S+ 0 0 8 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.915 108.6 49.2 -60.6 -41.9 4.2 29.6 7.2 18 56 A V H > S+ 0 0 0 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.922 109.9 51.7 -61.3 -44.7 3.8 33.1 5.8 19 57 A E H X S+ 0 0 30 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.881 108.8 50.2 -60.5 -39.6 4.1 34.6 9.2 20 58 A R H X S+ 0 0 138 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.871 107.7 56.0 -67.0 -35.5 7.3 32.7 9.9 21 59 A Q H X S+ 0 0 35 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.910 108.3 44.4 -64.1 -44.4 8.7 34.0 6.5 22 60 A I H X S+ 0 0 1 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.861 110.1 56.6 -71.5 -31.0 8.2 37.7 7.4 23 61 A D H X S+ 0 0 79 -4,-1.7 4,-1.8 -5,-0.2 -1,-0.2 0.929 108.4 48.4 -62.3 -43.3 9.7 37.1 10.9 24 62 A H H X S+ 0 0 87 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.952 113.6 44.1 -61.5 -52.1 12.8 35.7 9.3 25 63 A I H X S+ 0 0 0 -4,-2.2 4,-3.1 1,-0.2 -1,-0.2 0.850 109.1 58.3 -65.2 -33.0 13.2 38.6 6.8 26 64 A K H < S+ 0 0 79 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.5 40.2 -61.8 -43.1 12.5 41.2 9.4 27 65 A Q H < S+ 0 0 153 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.630 117.8 52.1 -80.5 -11.5 15.3 40.0 11.6 28 66 A L H < S+ 0 0 53 -4,-1.0 2,-0.3 -5,-0.2 -2,-0.2 0.824 97.3 72.3 -91.4 -36.7 17.4 39.6 8.5 29 67 A L < - 0 0 12 -4,-3.1 408,-0.1 -5,-0.1 407,-0.0 -0.622 58.4-165.3 -83.8 138.4 16.9 43.0 7.0 30 68 A T + 0 0 101 -2,-0.3 2,-0.8 1,-0.0 -1,-0.1 0.491 64.7 92.4-100.5 -5.1 18.7 46.0 8.6 31 69 A N > - 0 0 22 1,-0.2 4,-2.6 2,-0.0 5,-0.3 -0.816 62.9-156.8 -94.6 110.9 16.7 48.7 6.9 32 70 A A H > S+ 0 0 64 -2,-0.8 4,-1.9 1,-0.2 -1,-0.2 0.896 91.7 46.4 -51.1 -48.8 13.7 49.6 9.1 33 71 A K H > S+ 0 0 44 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.930 112.1 49.5 -63.4 -47.1 11.7 51.0 6.2 34 72 A L H > S+ 0 0 0 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.930 112.5 47.0 -58.1 -48.4 12.3 48.1 3.8 35 73 A A H X S+ 0 0 13 -4,-2.6 4,-2.2 1,-0.2 -1,-0.2 0.883 111.9 52.8 -60.7 -38.4 11.4 45.5 6.5 36 74 A W H X S+ 0 0 25 -4,-1.9 4,-1.7 -5,-0.3 -32,-0.3 0.912 109.7 47.0 -62.5 -47.0 8.3 47.6 7.3 37 75 A X H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.903 110.8 52.6 -64.4 -40.8 7.2 47.6 3.6 38 76 A F H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.908 108.3 50.0 -62.0 -42.8 7.8 43.9 3.3 39 77 A E H < S+ 0 0 30 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.849 115.3 44.6 -65.0 -33.3 5.7 43.1 6.3 40 78 A N H < S+ 0 0 0 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.911 122.9 33.2 -75.1 -44.3 2.9 45.3 4.9 41 79 A C H >< S+ 0 0 0 -4,-2.9 3,-1.9 356,-0.2 4,-0.5 0.951 104.6 62.2 -80.1 -57.2 3.0 44.1 1.3 42 80 A F T 3< S+ 0 0 0 -4,-1.7 3,-0.3 1,-0.3 4,-0.2 0.825 116.2 32.6 -42.7 -45.2 3.9 40.4 1.2 43 81 A P T 3> S+ 0 0 0 0, 0.0 4,-3.1 0, 0.0 3,-0.4 0.429 86.9 107.2 -96.5 4.0 0.9 39.3 3.2 44 82 A N H <> S+ 0 0 7 -3,-1.9 4,-2.6 1,-0.2 5,-0.3 0.852 77.1 53.0 -48.3 -45.1 -1.6 41.9 1.9 45 83 A T H >>S+ 0 0 0 -4,-0.5 4,-2.2 -3,-0.3 5,-1.2 0.923 114.9 40.9 -58.5 -46.2 -3.5 39.5 -0.3 46 84 A L H 45S+ 0 0 2 -3,-0.4 -33,-1.8 -4,-0.2 4,-0.3 0.907 115.0 52.9 -68.6 -42.8 -4.1 37.1 2.6 47 85 A D H <5S+ 0 0 2 -4,-3.1 -35,-2.2 -35,-0.2 -2,-0.2 0.869 129.8 7.2 -62.0 -39.4 -4.8 39.9 5.0 48 86 A T H <5S+ 0 0 36 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.463 127.7 37.6-130.2 2.1 -7.5 41.7 2.9 49 87 A T T <5S+ 0 0 0 -4,-2.2 12,-1.7 -5,-0.3 2,-0.5 0.582 79.0 103.5-131.3 -12.8 -8.6 39.9 -0.2 50 88 A V E < -A 60 0A 2 -5,-1.2 2,-0.5 -4,-0.3 10,-0.2 -0.634 37.7-178.0 -84.4 124.8 -8.8 36.1 0.4 51 89 A H E +A 59 0A 75 8,-2.4 8,-2.4 -2,-0.5 2,-0.4 -0.820 10.6 178.2-120.6 89.6 -12.1 34.4 0.9 52 90 A F E -A 58 0A 38 -2,-0.5 6,-0.2 6,-0.2 41,-0.1 -0.778 22.9-156.8 -95.1 132.8 -11.6 30.7 1.5 53 91 A D - 0 0 71 4,-2.2 5,-0.1 -2,-0.4 -1,-0.1 0.376 43.6-114.1 -87.7 3.5 -14.6 28.4 2.3 54 92 A G S S+ 0 0 40 3,-0.3 4,-0.1 1,-0.2 39,-0.1 0.469 98.4 61.4 78.2 -0.2 -12.4 25.9 4.1 55 93 A K S S- 0 0 133 2,-0.3 -1,-0.2 38,-0.1 41,-0.1 0.395 118.4 -42.4-120.2-104.9 -13.2 23.4 1.3 56 94 A E S S+ 0 0 137 -3,-0.1 2,-0.4 40,-0.1 43,-0.1 0.090 105.6 81.3-125.1 24.4 -12.4 23.6 -2.4 57 95 A D + 0 0 24 42,-0.1 -4,-2.2 43,-0.1 2,-0.4 -0.995 43.4 175.5-135.9 134.8 -13.2 27.2 -3.3 58 96 A T E -A 52 0A 0 38,-1.7 2,-0.5 -2,-0.4 -6,-0.2 -0.979 11.4-161.7-138.0 122.9 -11.3 30.5 -2.8 59 97 A F E -A 51 0A 2 -8,-2.4 -8,-2.4 -2,-0.4 2,-0.5 -0.912 10.1-164.7-106.3 130.9 -12.5 33.9 -4.0 60 98 A V E -A 50 0A 0 -2,-0.5 9,-0.3 -10,-0.2 -10,-0.2 -0.960 4.2-156.2-123.2 120.1 -9.9 36.6 -4.3 61 99 A Y - 0 0 20 -12,-1.7 7,-0.2 -2,-0.5 5,-0.1 -0.462 20.0-131.9 -84.6 160.2 -10.6 40.3 -4.7 62 100 A T - 0 0 0 5,-1.4 355,-1.4 3,-1.0 2,-0.5 0.728 43.9-121.0 -84.0 -23.3 -8.1 42.8 -6.3 63 101 A G B S+B 416 0B 7 2,-0.8 353,-0.2 4,-0.2 -1,-0.2 -0.903 95.7 36.4 123.1-101.7 -8.5 45.3 -3.5 64 102 A D S S+ 0 0 71 351,-1.9 2,-0.5 -2,-0.5 -1,-0.1 0.929 116.1 58.9 -49.8 -53.3 -9.7 48.7 -4.6 65 103 A I S S- 0 0 55 2,-0.1 2,-2.1 1,-0.1 -3,-1.0 -0.721 88.4-135.2 -84.2 122.8 -12.0 47.1 -7.2 66 104 A H S S+ 0 0 124 -2,-0.5 2,-0.3 -4,-0.1 -1,-0.1 -0.459 71.5 75.2 -80.0 72.1 -14.5 44.8 -5.6 67 105 A A S S- 0 0 0 -2,-2.1 -5,-1.4 48,-0.1 2,-0.6 -0.971 80.0 -98.3-165.6 171.4 -14.2 41.8 -8.0 68 106 A X E -C 114 0C 0 46,-2.5 46,-2.9 -2,-0.3 2,-0.4 -0.908 27.3-162.6-110.6 119.3 -12.0 38.9 -9.0 69 107 A W E > -C 113 0C 6 -2,-0.6 4,-2.5 -9,-0.3 5,-0.3 -0.802 18.7-142.3 -95.4 134.6 -9.7 39.2 -11.9 70 108 A L H > S+ 0 0 0 42,-1.7 4,-1.7 -2,-0.4 -1,-0.2 0.924 105.9 46.9 -61.0 -40.2 -8.3 36.0 -13.4 71 109 A R H > S+ 0 0 2 41,-0.4 4,-1.3 2,-0.2 5,-0.2 0.985 114.3 43.0 -63.0 -62.3 -5.1 37.8 -13.9 72 110 A D H >> S+ 0 0 6 1,-0.2 4,-3.4 2,-0.2 3,-0.6 0.907 115.1 49.0 -52.8 -48.5 -4.8 39.5 -10.5 73 111 A S H 3X S+ 0 0 0 -4,-2.5 4,-1.1 1,-0.2 -1,-0.2 0.882 107.4 55.4 -61.9 -37.9 -5.8 36.4 -8.5 74 112 A G H 3< S+ 0 0 0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.777 118.4 34.7 -66.6 -24.2 -3.3 34.3 -10.4 75 113 A A H << S+ 0 0 3 -4,-1.3 3,-0.5 -3,-0.6 -2,-0.2 0.791 105.8 68.3 -97.3 -35.2 -0.5 36.6 -9.4 76 114 A Q H < S+ 0 0 0 -4,-3.4 -31,-0.2 1,-0.2 -2,-0.2 0.776 114.0 29.3 -56.1 -31.0 -1.8 37.6 -5.9 77 115 A V S >X S+ 0 0 0 -4,-1.1 3,-1.8 -5,-0.2 4,-0.9 0.469 92.0 102.0-109.0 -4.9 -1.1 34.1 -4.5 78 116 A W G >4 S+ 0 0 41 -3,-0.5 3,-1.3 1,-0.3 4,-0.4 0.889 79.9 50.2 -46.0 -54.7 1.8 33.1 -6.8 79 117 A P G 34 S+ 0 0 1 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.609 102.3 63.6 -66.0 -9.1 4.6 33.7 -4.3 80 118 A Y G X> S+ 0 0 0 -3,-1.8 3,-2.7 1,-0.2 4,-0.7 0.747 81.5 78.8 -85.1 -23.5 2.8 31.6 -1.7 81 119 A V G X< S+ 0 0 0 -3,-1.3 3,-1.6 -4,-0.9 4,-0.4 0.885 85.1 61.7 -51.0 -41.5 3.0 28.4 -3.7 82 120 A Q G 34 S+ 0 0 94 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.549 107.2 46.2 -63.1 -6.8 6.6 28.0 -2.6 83 121 A L G X4 S+ 0 0 12 -3,-2.7 3,-1.8 1,-0.1 4,-0.3 0.466 83.7 94.5-112.5 -6.4 5.4 27.7 1.0 84 122 A A G X< S+ 0 0 2 -3,-1.6 3,-1.3 -4,-0.7 7,-0.4 0.798 74.1 65.8 -56.9 -33.9 2.4 25.3 0.4 85 123 A N G 3 S+ 0 0 99 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.580 108.4 40.9 -67.4 -8.6 4.5 22.2 1.3 86 124 A K G < S+ 0 0 145 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.310 112.6 55.4-119.7 4.7 4.8 23.5 4.9 87 125 A D <> - 0 0 14 -3,-1.3 4,-2.7 -4,-0.3 -1,-0.2 -0.819 56.0-171.6-144.6 99.7 1.3 24.8 5.4 88 126 A P H > S+ 0 0 104 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.868 91.3 48.4 -56.1 -43.7 -1.7 22.5 4.8 89 127 A E H > S+ 0 0 94 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.906 112.4 48.8 -65.5 -43.2 -4.3 25.3 5.2 90 128 A L H > S+ 0 0 0 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.924 109.6 52.8 -62.3 -45.3 -2.4 27.5 2.7 91 129 A K H X S+ 0 0 62 -4,-2.7 4,-1.7 -7,-0.4 -1,-0.2 0.895 109.6 48.1 -57.8 -43.7 -2.1 24.6 0.3 92 130 A K H X S+ 0 0 97 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.840 109.5 53.0 -66.5 -35.1 -5.9 24.0 0.3 93 131 A X H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.901 107.7 51.2 -66.8 -40.7 -6.6 27.7 -0.2 94 132 A L H X S+ 0 0 1 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.872 108.8 50.8 -63.8 -38.8 -4.3 27.8 -3.2 95 133 A A H X S+ 0 0 11 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.870 107.3 54.9 -67.5 -34.4 -6.2 24.8 -4.7 96 134 A G H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -38,-1.7 0.834 105.3 52.3 -66.5 -32.9 -9.4 26.6 -4.0 97 135 A V H X S+ 0 0 0 -4,-1.6 4,-2.7 -40,-0.2 -2,-0.2 0.970 111.4 46.3 -65.0 -52.3 -8.1 29.6 -6.1 98 136 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 1,-0.2 5,-0.2 0.927 111.7 51.2 -54.9 -50.4 -7.3 27.3 -9.0 99 137 A N H X S+ 0 0 32 -4,-2.7 4,-1.8 1,-0.2 -1,-0.2 0.917 112.5 46.6 -55.9 -44.9 -10.7 25.6 -8.8 100 138 A R H X S+ 0 0 38 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.885 109.7 53.4 -66.4 -37.8 -12.5 28.9 -8.8 101 139 A Q H X S+ 0 0 0 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.935 109.4 48.2 -62.0 -45.6 -10.4 30.2 -11.7 102 140 A F H X S+ 0 0 2 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.865 109.9 52.3 -63.3 -36.1 -11.3 27.2 -13.8 103 141 A K H X S+ 0 0 70 -4,-1.8 4,-0.9 -5,-0.2 -1,-0.2 0.856 108.7 51.6 -67.9 -33.0 -14.9 27.6 -13.0 104 142 A C H >X S+ 0 0 2 -4,-1.9 4,-1.9 2,-0.2 3,-1.1 0.948 106.1 52.9 -66.6 -49.9 -14.8 31.2 -14.1 105 143 A I H 3< S+ 0 0 2 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.873 108.7 51.2 -53.9 -37.7 -13.2 30.3 -17.4 106 144 A N H 3< S+ 0 0 23 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.721 104.5 57.1 -75.1 -19.4 -16.1 27.9 -18.0 107 145 A I H << S- 0 0 54 -3,-1.1 -2,-0.2 -4,-0.9 -1,-0.2 0.908 138.2 -19.0 -74.1 -42.8 -18.7 30.6 -17.2 108 146 A D >< - 0 0 12 -4,-1.9 3,-1.7 3,-0.1 -1,-0.2 -0.623 54.6-162.2-167.3 100.0 -17.2 32.8 -19.9 109 147 A P T 3 S+ 0 0 20 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 0.587 94.1 59.1 -64.2 -7.4 -13.7 32.3 -21.4 110 148 A Y T 3 S+ 0 0 12 -5,-0.1 2,-0.2 29,-0.1 30,-0.2 0.604 86.1 97.9 -95.1 -13.3 -13.9 35.8 -22.8 111 149 A A < - 0 0 1 -3,-1.7 26,-0.2 -7,-0.2 -3,-0.1 -0.542 49.0-170.0 -82.9 142.2 -14.4 37.5 -19.4 112 150 A N S S+ 0 0 0 24,-0.6 -42,-1.7 -2,-0.2 -41,-0.4 0.671 72.8 38.4 -99.0 -24.8 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0 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.2 0.769 118.3 34.7 -65.7 -24.2 -14.5 74.7 -48.6 519 113 B A H X< S+ 0 0 3 -4,-1.2 3,-0.5 -3,-0.8 -2,-0.2 0.791 105.8 68.2 -97.3 -36.2 -14.9 71.7 -51.0 520 114 B Q H 3< S+ 0 0 0 -4,-3.5 -31,-0.2 1,-0.2 -2,-0.2 0.777 114.0 29.5 -55.2 -31.4 -18.7 72.0 -51.7 521 115 B V T >X S+ 0 0 0 -4,-1.2 3,-1.7 -5,-0.2 4,-0.8 0.458 92.0 101.8-108.8 -4.4 -18.2 75.3 -53.6 522 116 B W G X4 S+ 0 0 42 -3,-0.5 3,-1.3 1,-0.3 4,-0.4 0.895 79.8 50.2 -46.5 -55.1 -14.7 74.6 -55.0 523 117 B P G 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.616 102.4 63.7 -65.5 -9.3 -15.7 73.6 -58.5 524 118 B Y G X> S+ 0 0 0 -3,-1.7 3,-2.7 1,-0.2 4,-0.7 0.756 81.5 78.7 -84.8 -24.2 -17.8 76.7 -58.9 525 119 B V G X< S+ 0 0 0 -3,-1.3 3,-1.5 -4,-0.8 4,-0.4 0.873 85.0 61.7 -50.9 -41.0 -14.9 79.1 -58.6 526 120 B Q G 34 S+ 0 0 89 -4,-0.4 -1,-0.3 1,-0.3 -2,-0.1 0.548 107.3 46.3 -63.7 -6.8 -14.0 78.4 -62.2 527 121 B L G X4 S+ 0 0 11 -3,-2.7 3,-1.9 1,-0.1 4,-0.3 0.472 83.7 94.3-112.4 -6.9 -17.4 79.9 -63.2 528 122 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