==== 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 13-APR-07 2PIH . COMPND 2 MOLECULE: PROTEIN YMCA; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR J.SEETHARAMAN,M.ABASHIDZE,F.FOROUHAR,D.WANG,Y.FANG, . 246 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15635.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 217 88.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 0 0.0 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 194 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 0 0 0 0 0 0 0 0 0 0 0 4 0 0 0 0 2 0 2 0 0 0 0 0 0 0 2 RESIDUES PER ALPHA HELIX . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 A T 0 0 195 0, 0.0 2,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 147.5 25.1 50.5 14.8 2 3 A L - 0 0 70 1,-0.1 144,-0.2 144,-0.0 2,-0.2 -0.451 360.0-100.3 -80.3 150.5 25.3 47.1 16.5 3 4 A Y B -a 146 0A 77 142,-2.5 144,-0.7 139,-0.3 2,-0.2 -0.477 37.9-131.8 -69.5 138.9 27.9 46.2 19.1 4 5 A S > - 0 0 36 -2,-0.2 4,-2.2 142,-0.2 3,-0.5 -0.523 23.8-107.7 -87.8 160.2 30.7 44.1 17.7 5 6 A K H > S+ 0 0 107 1,-0.3 4,-2.4 2,-0.2 5,-0.1 0.866 123.7 56.8 -53.2 -36.8 31.9 40.9 19.4 6 7 A K H > S+ 0 0 155 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.890 104.3 50.6 -62.9 -41.8 35.0 42.9 20.4 7 8 A D H > S+ 0 0 55 -3,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.945 110.7 50.0 -61.0 -47.9 32.8 45.5 22.1 8 9 A I H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.887 107.7 52.9 -58.2 -43.3 31.0 42.8 24.0 9 10 A V H X S+ 0 0 29 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.934 110.6 47.3 -60.0 -45.6 34.2 41.2 25.1 10 11 A Q H X S+ 0 0 109 -4,-2.1 4,-1.7 1,-0.2 -2,-0.2 0.909 112.8 49.0 -61.2 -43.2 35.4 44.5 26.6 11 12 A Q H X S+ 0 0 31 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.839 108.2 54.2 -65.6 -33.5 32.1 45.0 28.3 12 13 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.884 107.1 51.4 -68.1 -36.0 32.3 41.5 29.7 13 14 A R H X S+ 0 0 98 -4,-1.9 4,-1.8 1,-0.2 -2,-0.2 0.860 107.9 52.5 -67.4 -34.5 35.7 42.4 31.2 14 15 A N H X S+ 0 0 81 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.888 107.7 51.0 -67.8 -37.7 34.2 45.5 32.7 15 16 A L H X S+ 0 0 3 -4,-1.9 4,-2.5 1,-0.2 -2,-0.2 0.936 109.0 52.2 -63.3 -45.2 31.5 43.4 34.3 16 17 A A H X S+ 0 0 0 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.860 104.7 55.1 -59.5 -38.9 34.2 41.0 35.7 17 18 A K H < S+ 0 0 76 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.895 111.2 44.7 -63.8 -38.4 36.1 43.9 37.2 18 19 A X H >< S+ 0 0 47 -4,-1.6 3,-1.8 1,-0.2 109,-0.3 0.890 109.7 55.2 -72.0 -37.4 33.0 45.0 39.1 19 20 A I H >< S+ 0 0 0 -4,-2.5 3,-0.9 1,-0.3 6,-0.5 0.882 102.2 58.3 -61.1 -35.9 32.3 41.4 40.1 20 21 A S T 3< S+ 0 0 9 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.553 100.0 60.1 -70.4 -7.1 35.8 41.3 41.6 21 22 A E T < S+ 0 0 95 -3,-1.8 106,-2.7 -5,-0.1 -1,-0.3 -0.242 84.2 108.5-114.4 42.0 34.7 44.2 43.8 22 23 A T B <> S-b 127 0B 0 -3,-0.9 4,-2.0 104,-0.2 5,-0.2 -0.696 83.3-110.6-110.6 165.4 31.9 42.3 45.5 23 24 A E H > S+ 0 0 116 104,-0.7 4,-2.3 -2,-0.2 5,-0.2 0.869 117.6 60.5 -63.9 -34.0 31.7 41.1 49.1 24 25 A E H > S+ 0 0 20 1,-0.2 4,-2.0 2,-0.2 73,-0.2 0.950 110.0 37.0 -57.9 -55.0 31.9 37.6 47.7 25 26 A V H > S+ 0 0 0 -6,-0.5 4,-2.6 2,-0.2 -1,-0.2 0.811 113.3 58.2 -69.4 -29.3 35.3 38.1 46.0 26 27 A D H X S+ 0 0 60 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.891 107.8 48.4 -65.5 -37.0 36.5 40.2 48.9 27 28 A F H X S+ 0 0 21 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.917 110.4 50.7 -66.4 -46.6 35.8 37.2 51.1 28 29 A F H X S+ 0 0 25 -4,-2.0 4,-2.4 65,-0.2 -2,-0.2 0.898 109.3 51.9 -59.5 -42.1 37.7 34.9 48.8 29 30 A K H X S+ 0 0 41 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.924 112.5 41.7 -65.1 -45.5 40.7 37.3 48.8 30 31 A R H X S+ 0 0 136 -4,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.823 115.3 52.5 -72.4 -27.2 41.1 37.5 52.6 31 32 A A H X S+ 0 0 6 -4,-2.0 4,-1.4 2,-0.2 59,-0.2 0.907 109.2 49.3 -70.7 -42.1 40.4 33.8 52.9 32 33 A E H X S+ 0 0 5 -4,-2.4 4,-1.5 1,-0.2 -2,-0.2 0.891 107.4 55.1 -63.0 -41.3 43.1 33.1 50.3 33 34 A A H X S+ 0 0 31 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.890 106.2 52.9 -60.1 -39.1 45.5 35.3 52.2 34 35 A Q H X S+ 0 0 104 -4,-1.5 4,-1.1 1,-0.2 3,-0.4 0.834 108.1 47.4 -68.8 -33.3 44.9 33.3 55.4 35 36 A I H < S+ 0 0 13 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.758 106.1 58.8 -80.9 -21.8 45.7 29.9 53.9 36 37 A N H < S+ 0 0 84 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.645 114.5 38.2 -77.5 -14.0 48.9 31.1 52.2 37 38 A E H < S+ 0 0 135 -4,-0.6 2,-0.2 -3,-0.4 -2,-0.2 0.598 88.2 107.9-109.5 -17.6 50.2 32.1 55.7 38 39 A N X - 0 0 46 -4,-1.1 4,-1.4 1,-0.1 5,-0.1 -0.465 57.5-152.1 -66.8 127.8 48.9 29.2 57.7 39 40 A D H > S+ 0 0 132 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.905 92.5 53.9 -67.7 -43.5 51.7 26.9 58.8 40 41 A K H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.904 108.6 49.8 -60.1 -40.9 49.7 23.7 59.0 41 42 A V H > S+ 0 0 12 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.891 111.7 49.8 -64.9 -37.2 48.4 24.2 55.5 42 43 A S H X S+ 0 0 56 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.906 110.2 49.5 -67.0 -43.3 52.0 24.7 54.3 43 44 A T H X S+ 0 0 73 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.958 115.4 43.2 -60.8 -50.7 53.2 21.6 56.1 44 45 A I H X S+ 0 0 3 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.906 111.2 52.7 -64.4 -43.3 50.4 19.4 54.6 45 46 A V H X S+ 0 0 48 -4,-2.6 4,-2.0 -5,-0.2 -1,-0.2 0.871 111.1 48.7 -61.8 -35.2 50.7 20.8 51.1 46 47 A N H X S+ 0 0 92 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.914 109.7 50.3 -70.5 -43.1 54.4 20.1 51.1 47 48 A Q H X S+ 0 0 91 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.910 110.9 50.2 -60.6 -41.4 54.0 16.5 52.3 48 49 A I H X S+ 0 0 14 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.933 110.1 50.9 -61.2 -45.2 51.4 16.0 49.6 49 50 A K H X S+ 0 0 117 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.948 110.0 48.9 -55.5 -54.0 53.8 17.4 47.0 50 51 A A H X S+ 0 0 49 -4,-2.8 4,-1.5 1,-0.2 3,-0.4 0.893 112.1 48.8 -54.7 -44.2 56.6 15.1 48.2 51 52 A L H X S+ 0 0 16 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.843 106.8 55.1 -67.0 -34.1 54.3 12.0 48.1 52 53 A Q H X S+ 0 0 89 -4,-2.2 4,-1.5 1,-0.2 -1,-0.2 0.750 105.8 54.4 -70.0 -22.5 53.1 12.9 44.6 53 54 A K H X S+ 0 0 146 -4,-1.3 4,-1.2 -3,-0.4 -1,-0.2 0.863 109.5 45.9 -76.9 -36.8 56.8 12.9 43.6 54 55 A Q H X S+ 0 0 80 -4,-1.5 4,-3.3 2,-0.2 -2,-0.2 0.865 106.9 60.3 -71.5 -37.0 57.2 9.4 44.9 55 56 A A H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 5,-0.3 0.940 103.8 48.3 -56.4 -49.9 53.9 8.3 43.2 56 57 A V H X S+ 0 0 95 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.888 114.2 48.6 -58.0 -38.4 55.3 9.2 39.8 57 58 A N H X S+ 0 0 85 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.936 109.6 50.3 -67.4 -49.0 58.5 7.2 40.7 58 59 A L H <>S+ 0 0 20 -4,-3.3 5,-3.3 1,-0.2 -2,-0.2 0.871 111.0 48.5 -59.9 -39.5 56.6 4.2 42.0 59 60 A K H ><5S+ 0 0 115 -4,-2.3 3,-0.7 3,-0.2 -1,-0.2 0.851 107.8 55.2 -71.1 -32.2 54.5 3.9 38.9 60 61 A H H 3<5S+ 0 0 138 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.969 115.1 38.7 -61.7 -51.3 57.5 4.2 36.6 61 62 A Y T 3<5S- 0 0 150 -4,-2.2 -1,-0.2 -5,-0.1 -2,-0.2 0.334 114.0-121.2 -80.9 7.0 59.1 1.3 38.4 62 63 A E T < 5 + 0 0 135 -3,-0.7 2,-1.5 1,-0.2 -3,-0.2 0.857 54.2 158.5 54.6 41.9 55.8 -0.5 38.6 63 64 A K >< + 0 0 113 -5,-3.3 4,-2.3 1,-0.2 -1,-0.2 -0.594 9.5 166.4 -92.5 70.2 55.8 -0.7 42.4 64 65 A H H > + 0 0 117 -2,-1.5 4,-2.2 2,-0.2 -1,-0.2 0.913 69.6 47.1 -54.0 -54.7 52.0 -1.1 42.5 65 66 A E H > S+ 0 0 146 1,-0.2 4,-1.2 -3,-0.2 -1,-0.2 0.919 115.5 47.0 -55.6 -45.7 51.7 -2.3 46.1 66 67 A A H > S+ 0 0 38 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.844 108.2 56.5 -64.9 -35.4 54.0 0.5 47.3 67 68 A L H X S+ 0 0 20 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.913 100.7 58.1 -63.0 -42.7 52.0 3.0 45.2 68 69 A K H X S+ 0 0 115 -4,-2.2 4,-1.9 1,-0.2 -1,-0.2 0.871 106.0 49.0 -55.6 -39.8 48.8 2.0 46.9 69 70 A Q H X S+ 0 0 119 -4,-1.2 4,-2.4 2,-0.2 -1,-0.2 0.934 110.6 49.2 -67.7 -44.3 50.4 3.0 50.3 70 71 A V H X S+ 0 0 11 -4,-1.9 4,-2.0 1,-0.2 -2,-0.2 0.874 111.4 50.8 -62.0 -36.2 51.6 6.4 48.9 71 72 A E H X S+ 0 0 86 -4,-2.7 4,-2.3 2,-0.2 -1,-0.2 0.860 108.4 51.5 -70.1 -34.0 48.1 7.0 47.5 72 73 A A H X S+ 0 0 48 -4,-1.9 4,-2.6 -5,-0.2 -2,-0.2 0.914 108.9 51.3 -67.6 -40.0 46.6 6.2 50.9 73 74 A K H X S+ 0 0 121 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.904 109.9 49.5 -62.8 -41.2 48.9 8.6 52.6 74 75 A I H X S+ 0 0 19 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.919 110.7 49.1 -64.5 -44.4 47.9 11.4 50.1 75 76 A D H X S+ 0 0 94 -4,-2.3 4,-2.4 1,-0.2 5,-0.2 0.931 110.6 51.8 -61.0 -43.3 44.2 10.7 50.7 76 77 A A H X S+ 0 0 63 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.919 112.8 44.9 -59.2 -44.4 44.8 10.9 54.4 77 78 A L H X S+ 0 0 15 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.892 110.0 53.9 -68.7 -40.4 46.6 14.2 54.1 78 79 A Q H X S+ 0 0 79 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.938 109.9 47.1 -62.3 -44.7 44.1 15.7 51.7 79 80 A E H X S+ 0 0 129 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.906 110.6 52.8 -63.6 -38.1 41.2 15.0 54.1 80 81 A E H >X S+ 0 0 75 -4,-1.7 3,-0.8 -5,-0.2 4,-0.7 0.924 106.2 55.4 -62.0 -40.4 43.2 16.4 57.0 81 82 A L H >< S+ 0 0 18 -4,-2.5 3,-1.3 1,-0.2 6,-0.2 0.903 103.8 52.8 -56.5 -46.1 43.7 19.5 54.9 82 83 A E H 3< S+ 0 0 64 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.706 100.7 62.4 -65.9 -20.5 40.0 20.1 54.4 83 84 A E H << S+ 0 0 143 -4,-1.0 -1,-0.3 -3,-0.8 -2,-0.2 0.693 79.8 107.3 -76.6 -20.4 39.4 19.8 58.2 84 85 A I S XX S- 0 0 6 -3,-1.3 4,-2.6 -4,-0.7 3,-1.0 -0.427 73.9-132.6 -66.4 126.2 41.6 22.9 58.7 85 86 A P H 3> S+ 0 0 91 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.869 105.2 47.6 -42.5 -55.6 39.6 26.1 59.7 86 87 A V H 3> S+ 0 0 27 1,-0.2 4,-1.7 2,-0.2 -51,-0.2 0.783 112.6 51.1 -62.6 -27.1 41.2 28.4 57.2 87 88 A I H <> S+ 0 0 5 -3,-1.0 4,-2.9 -6,-0.2 5,-0.2 0.899 107.4 51.9 -75.7 -41.6 40.8 25.8 54.5 88 89 A Q H X S+ 0 0 94 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.923 110.6 49.7 -59.4 -40.9 37.1 25.5 55.4 89 90 A E H X S+ 0 0 94 -4,-2.4 4,-2.3 -5,-0.2 -1,-0.2 0.900 110.0 50.8 -62.9 -41.6 36.8 29.3 55.0 90 91 A F H X S+ 0 0 6 -4,-1.7 4,-2.6 2,-0.2 -2,-0.2 0.931 109.6 49.2 -62.4 -47.0 38.6 29.1 51.7 91 92 A R H X S+ 0 0 92 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.888 111.0 51.3 -60.2 -39.6 36.2 26.5 50.4 92 93 A D H X S+ 0 0 89 -4,-2.2 4,-1.9 -5,-0.2 -1,-0.2 0.899 110.9 46.9 -65.8 -39.2 33.3 28.5 51.5 93 94 A S H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -65,-0.2 0.895 108.8 55.7 -70.0 -37.3 34.5 31.6 49.8 94 95 A Q H X S+ 0 0 56 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.921 108.6 48.0 -58.5 -45.8 35.2 29.6 46.6 95 96 A X H X S+ 0 0 123 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.898 108.3 54.0 -61.8 -43.2 31.6 28.5 46.5 96 97 A E H X S+ 0 0 83 -4,-1.9 4,-1.7 1,-0.2 -1,-0.2 0.921 113.2 43.2 -57.7 -44.1 30.3 32.0 47.1 97 98 A V H X S+ 0 0 6 -4,-2.2 4,-2.4 -73,-0.2 -2,-0.2 0.907 114.7 48.6 -69.7 -43.0 32.3 33.2 44.1 98 99 A N H X S+ 0 0 95 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.858 111.8 49.9 -66.2 -35.3 31.4 30.2 41.9 99 100 A D H X S+ 0 0 88 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.874 110.1 51.1 -70.8 -34.8 27.7 30.6 42.7 100 101 A L H X S+ 0 0 3 -4,-1.7 4,-2.3 -5,-0.3 -2,-0.2 0.929 109.8 49.6 -66.3 -44.2 27.9 34.3 41.9 101 102 A L H X S+ 0 0 34 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.895 110.2 50.4 -61.0 -40.2 29.5 33.6 38.6 102 103 A Q H X S+ 0 0 108 -4,-1.9 4,-2.5 1,-0.2 -1,-0.2 0.891 108.7 52.6 -66.5 -38.2 26.8 31.0 37.8 103 104 A L H X S+ 0 0 54 -4,-2.0 4,-2.8 2,-0.2 -1,-0.2 0.911 108.7 50.0 -61.9 -43.8 24.1 33.6 38.7 104 105 A V H X S+ 0 0 2 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.933 111.1 49.3 -60.7 -45.8 25.7 36.1 36.3 105 106 A A H X S+ 0 0 44 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.893 113.2 46.1 -60.4 -43.5 25.7 33.5 33.5 106 107 A H H X S+ 0 0 98 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.903 112.5 50.8 -66.6 -42.1 22.1 32.5 34.1 107 108 A T H X S+ 0 0 10 -4,-2.8 4,-2.4 2,-0.2 5,-0.2 0.933 112.3 45.7 -61.5 -47.2 21.1 36.2 34.2 108 109 A I H X S+ 0 0 7 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.938 115.1 48.0 -61.3 -46.4 22.8 37.0 31.0 109 110 A S H X S+ 0 0 51 -4,-2.4 4,-1.7 1,-0.2 -2,-0.2 0.911 115.4 43.9 -60.6 -46.0 21.4 33.9 29.3 110 111 A N H X S+ 0 0 96 -4,-3.0 4,-1.6 1,-0.2 -1,-0.2 0.810 113.3 50.4 -71.3 -31.8 17.8 34.6 30.5 111 112 A Q H X S+ 0 0 24 -4,-2.4 4,-2.7 -5,-0.2 -2,-0.2 0.870 107.5 53.4 -75.5 -36.0 18.0 38.3 29.7 112 113 A 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57.5-152.2 -66.8 127.6 8.1 29.1 6.0 163 40 B D H > S+ 0 0 132 -2,-0.2 4,-2.8 2,-0.2 5,-0.2 0.904 92.5 53.9 -67.7 -43.4 5.2 26.8 4.9 164 41 B K H > S+ 0 0 104 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.908 108.7 49.7 -60.0 -41.5 7.3 23.7 4.7 165 42 B V H > S+ 0 0 12 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.886 111.8 49.8 -64.5 -37.1 8.6 24.1 8.2 166 43 B S H X S+ 0 0 56 -4,-1.4 4,-1.8 2,-0.2 -2,-0.2 0.907 110.2 49.5 -67.3 -42.9 5.0 24.7 9.4 167 44 B T H X S+ 0 0 72 -4,-2.8 4,-2.2 2,-0.2 -2,-0.2 0.957 115.3 43.2 -61.1 -50.7 3.8 21.5 7.6 168 45 B I H X S+ 0 0 3 -4,-2.5 4,-2.5 1,-0.2 5,-0.2 0.908 111.2 52.8 -64.4 -43.6 6.5 19.4 9.1 169 46 B V H X S+ 0 0 47 -4,-2.5 4,-2.0 -5,-0.2 -1,-0.2 0.875 111.1 48.7 -61.5 -35.1 6.3 20.8 12.6 170 47 B N H X S+ 0 0 92 -4,-1.8 4,-2.8 2,-0.2 -1,-0.2 0.915 109.8 50.2 -70.6 -42.8 2.5 20.0 12.6 171 48 B Q H X S+ 0 0 91 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.913 110.9 50.3 -60.8 -41.6 3.0 16.5 11.4 172 49 B I H X S+ 0 0 14 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.933 110.2 50.9 -60.9 -45.1 5.6 15.9 14.1 173 50 B K H X S+ 0 0 117 -4,-2.0 4,-1.3 1,-0.2 -2,-0.2 0.947 109.9 48.8 -55.6 -54.0 3.1 17.3 16.7 174 51 B A H X S+ 0 0 49 -4,-2.8 4,-1.5 1,-0.2 3,-0.4 0.896 112.0 48.9 -54.8 -44.6 0.3 15.0 15.5 175 52 B L H X S+ 0 0 16 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.840 106.7 55.2 -66.4 -33.9 2.6 12.0 15.6 176 53 B Q H X S+ 0 0 88 -4,-2.1 4,-1.5 1,-0.2 -1,-0.2 0.751 105.7 54.4 -70.0 -22.9 3.8 12.9 19.1 177 54 B K H X S+ 0 0 147 -4,-1.3 4,-1.2 -3,-0.4 -1,-0.2 0.866 109.5 45.9 -76.5 -37.0 0.2 12.9 20.1 178 55 B Q H X S+ 0 0 80 -4,-1.5 4,-3.2 2,-0.2 -2,-0.2 0.863 106.9 60.2 -71.6 -36.6 -0.2 9.4 18.8 179 56 B A H X S+ 0 0 11 -4,-2.3 4,-2.3 1,-0.2 5,-0.2 0.937 103.8 48.4 -56.9 -49.7 3.0 8.3 20.5 180 57 B V H X S+ 0 0 95 -4,-1.5 4,-1.5 1,-0.2 -1,-0.2 0.887 114.2 48.6 -58.1 -38.5 1.6 9.2 23.9 181 58 B N H X S+ 0 0 85 -4,-1.2 4,-2.2 2,-0.2 -2,-0.2 0.925 109.6 50.3 -67.5 -48.0 -1.5 7.2 23.0 182 59 B L H <>S+ 0 0 20 -4,-3.2 5,-3.3 1,-0.2 -2,-0.2 0.868 110.9 48.6 -61.1 -38.9 0.3 4.1 21.8 183 60 B K H 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