==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 30-APR-02 1LM3 . COMPND 2 MOLECULE: SOLUBLE CYTOCHROME B562; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.L.SPRINGS,S.E.BASS,G.BOWMAN,I.NODELMAN,C.E.SCHUTT, . 212 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 89.2 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 . 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 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 17.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 147 69.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 0 0 2 0 2 0 0 2 0 1 0 1 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 . 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 1 B A 0 0 101 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.1 5.7 9.2 1.4 2 2 B D >> - 0 0 83 1,-0.0 4,-2.6 41,-0.0 3,-0.8 -0.507 360.0 -92.4-100.5 171.2 6.5 12.1 -1.0 3 3 B L H 3> S+ 0 0 40 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.849 125.5 55.3 -50.1 -43.8 5.5 15.7 -1.0 4 4 B E H 3> S+ 0 0 155 1,-0.2 4,-1.3 2,-0.2 -1,-0.3 0.898 114.3 42.2 -59.2 -38.2 2.5 15.0 -3.2 5 5 B D H <> S+ 0 0 62 -3,-0.8 4,-2.0 2,-0.2 -2,-0.2 0.840 111.1 55.7 -76.7 -33.7 1.4 12.4 -0.6 6 6 B N H X S+ 0 0 7 -4,-2.6 4,-1.6 2,-0.2 -2,-0.2 0.949 109.7 44.5 -63.3 -50.3 2.3 14.6 2.4 7 7 B M H X S+ 0 0 59 -4,-2.6 4,-3.1 1,-0.2 5,-0.2 0.890 111.1 55.0 -61.6 -39.6 0.1 17.5 1.3 8 8 B E H X S+ 0 0 108 -4,-1.3 4,-2.3 -5,-0.3 -1,-0.2 0.892 107.0 50.1 -62.2 -38.8 -2.7 15.1 0.4 9 9 B T H X S+ 0 0 57 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.831 112.9 48.5 -69.0 -30.8 -2.6 13.7 4.0 10 10 B L H X S+ 0 0 20 -4,-1.6 4,-2.0 2,-0.2 5,-0.2 0.964 111.1 47.2 -72.1 -55.6 -2.7 17.2 5.3 11 11 B N H X S+ 0 0 93 -4,-3.1 4,-1.5 1,-0.2 3,-0.4 0.946 112.2 50.6 -52.3 -53.6 -5.7 18.4 3.2 12 12 B D H >X S+ 0 0 83 -4,-2.3 4,-2.0 1,-0.2 3,-0.6 0.923 111.0 47.8 -51.7 -51.5 -7.7 15.3 4.0 13 13 B N H 3X S+ 0 0 17 -4,-1.6 4,-1.9 1,-0.3 -1,-0.2 0.801 105.3 56.5 -64.9 -30.5 -7.2 15.6 7.7 14 14 B L H 3X S+ 0 0 14 -4,-2.0 4,-0.6 -3,-0.4 -1,-0.3 0.834 107.8 52.4 -69.6 -26.4 -8.1 19.2 7.9 15 15 B K H XX S+ 0 0 94 -4,-1.5 4,-2.0 -3,-0.6 3,-1.8 0.966 106.5 51.9 -66.8 -54.4 -11.3 18.2 6.3 16 16 B V H 3X S+ 0 0 61 -4,-2.0 4,-1.0 1,-0.3 -2,-0.2 0.841 104.4 56.2 -49.5 -42.0 -11.9 15.5 8.9 17 17 B I H 3< S+ 0 0 0 -4,-1.9 -1,-0.3 2,-0.2 -2,-0.2 0.742 106.7 52.0 -67.4 -20.3 -11.4 18.1 11.6 18 18 B E H << S+ 0 0 90 -3,-1.8 -2,-0.2 -4,-0.6 -1,-0.2 0.956 114.6 39.3 -78.3 -51.3 -14.2 20.0 10.1 19 19 B K H < S+ 0 0 171 -4,-2.0 -2,-0.2 2,-0.0 -1,-0.2 0.483 94.0 121.3 -74.8 -3.8 -16.7 17.1 10.0 20 20 B A < + 0 0 10 -4,-1.0 -3,-0.1 -5,-0.3 68,-0.0 -0.400 34.0 174.8 -69.4 133.4 -15.5 16.0 13.4 21 21 B D + 0 0 120 -2,-0.2 64,-0.2 63,-0.0 2,-0.1 0.827 63.8 47.2-102.2 -46.0 -18.0 15.7 16.3 22 22 B N S > S- 0 0 69 1,-0.1 4,-1.0 62,-0.1 61,-0.0 -0.468 83.0-115.0 -95.9 170.2 -15.9 14.2 19.1 23 23 B A H >> S+ 0 0 23 2,-0.2 4,-1.6 1,-0.2 3,-0.6 0.959 107.1 59.4 -67.0 -53.6 -12.5 15.1 20.5 24 24 B A H >> S+ 0 0 65 1,-0.3 4,-2.5 2,-0.2 3,-0.9 0.886 101.0 53.8 -42.7 -57.4 -10.7 11.9 19.6 25 25 B Q H 3> S+ 0 0 80 1,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.893 109.1 50.8 -46.4 -45.8 -11.3 12.2 15.8 26 26 B V H < S+ 0 0 63 -4,-2.1 3,-1.3 1,-0.2 4,-0.3 0.978 108.2 53.0 -61.2 -54.0 8.1 14.7 6.6 40 40 B A H >< S+ 0 0 0 -4,-3.2 3,-1.6 1,-0.3 -1,-0.2 0.864 105.8 56.9 -45.6 -41.6 7.2 17.4 4.0 41 41 B Q H 3< S+ 0 0 25 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.844 96.3 61.0 -60.9 -37.6 9.8 19.5 5.5 42 42 B K T << S+ 0 0 178 -4,-1.3 -1,-0.3 -3,-1.3 -2,-0.2 0.457 99.9 83.7 -71.0 2.3 12.5 16.9 5.0 43 43 B A S < S- 0 0 39 -3,-1.6 -41,-0.0 -4,-0.3 -3,-0.0 -0.551 76.3-127.8-106.0 170.5 11.8 17.3 1.3 44 44 B T - 0 0 77 -2,-0.2 5,-0.1 2,-0.0 -41,-0.1 -0.945 26.7-135.3-122.3 108.9 12.8 19.7 -1.5 45 45 B P >> - 0 0 9 0, 0.0 3,-2.4 0, 0.0 4,-0.5 -0.216 23.5-112.3 -60.2 148.0 9.9 21.3 -3.5 46 46 B P T 34 S+ 0 0 95 0, 0.0 3,-0.5 0, 0.0 4,-0.2 0.752 117.1 58.4 -53.6 -30.3 10.1 21.4 -7.3 47 47 B K T 34 S+ 0 0 131 58,-0.4 4,-0.2 1,-0.2 3,-0.1 0.589 112.8 40.7 -77.8 -9.1 10.4 25.2 -7.2 48 48 B L T <4 S+ 0 0 7 -3,-2.4 -1,-0.2 2,-0.1 10,-0.1 0.354 75.3 116.4-118.4 4.5 13.5 24.9 -5.1 49 49 B E S < S+ 0 0 142 -4,-0.5 -2,-0.1 -3,-0.5 -1,-0.1 0.841 89.7 33.5 -39.7 -48.2 15.2 21.9 -6.8 50 50 B D S S+ 0 0 163 -4,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.857 92.7 109.9 -80.1 -38.5 18.2 24.0 -7.8 51 51 B K S S- 0 0 96 -4,-0.2 -3,-0.1 1,-0.1 -4,-0.0 0.011 79.7-101.8 -38.7 140.6 18.2 26.3 -4.7 52 52 B S > - 0 0 63 1,-0.1 3,-3.4 2,-0.1 6,-0.4 -0.377 31.1-104.5 -70.5 149.0 21.2 25.7 -2.5 53 53 B P T 3 S+ 0 0 115 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.715 123.5 31.0 -41.9 -31.2 20.7 23.6 0.8 54 54 B D T 3 S+ 0 0 113 4,-0.0 5,-0.1 5,-0.0 -2,-0.1 0.098 85.0 145.2-118.6 19.8 20.9 26.8 2.8 55 55 B S <> - 0 0 9 -3,-3.4 4,-1.6 1,-0.2 5,-0.3 -0.259 67.0-111.0 -56.2 147.0 19.4 29.2 0.3 56 56 B P H > S+ 0 0 97 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.848 123.7 54.9 -50.1 -31.8 17.4 31.9 2.1 57 57 B E H >> S+ 0 0 57 2,-0.2 4,-2.4 1,-0.2 3,-0.7 0.973 101.7 54.2 -64.7 -54.7 14.4 30.1 0.5 58 58 B M H 3> S+ 0 0 36 -6,-0.4 4,-0.8 1,-0.3 -1,-0.2 0.760 112.3 46.6 -50.9 -26.8 15.4 26.7 2.0 59 59 B K H 3X S+ 0 0 112 -4,-1.6 4,-2.1 2,-0.2 -1,-0.3 0.796 112.0 50.3 -85.8 -31.1 15.4 28.5 5.3 60 60 B D H X S+ 0 0 2 -4,-2.9 4,-1.5 1,-0.3 3,-1.1 0.930 102.3 46.7 -47.6 -53.1 7.3 27.8 7.5 65 65 B Y H 3X S+ 0 0 24 -4,-1.8 4,-3.0 1,-0.3 5,-0.3 0.831 105.4 59.4 -60.9 -34.2 6.8 24.2 8.5 66 66 B D H 3X S+ 0 0 46 -4,-1.2 4,-1.3 -3,-0.3 -1,-0.3 0.789 107.0 49.0 -64.6 -25.7 8.0 24.9 12.0 67 67 B I H X>S+ 0 0 25 -4,-1.3 5,-1.7 -5,-0.3 3,-1.0 0.926 106.7 55.0 -67.3 -49.7 -6.6 21.4 23.1 79 79 B A H ><5S+ 0 0 5 -4,-2.6 3,-0.7 1,-0.3 -1,-0.2 0.849 106.4 58.2 -53.0 -31.2 -8.1 18.3 21.4 80 80 B N H 3<5S+ 0 0 100 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.834 99.5 53.2 -67.0 -38.4 -6.3 16.5 24.3 81 81 B E H <<5S- 0 0 90 -3,-1.0 -1,-0.3 -4,-0.9 -2,-0.2 0.509 124.3-108.9 -74.7 -3.5 -8.1 18.4 27.0 82 82 B G T <<5S+ 0 0 41 -3,-0.7 2,-1.7 -4,-0.6 -3,-0.2 0.453 74.1 143.4 89.4 2.7 -11.2 17.3 25.1 83 83 B K >< + 0 0 87 -5,-1.7 4,-1.9 1,-0.2 5,-0.2 -0.510 18.2 169.4 -82.5 79.3 -11.9 20.8 23.8 84 84 B V H >> S+ 0 0 26 -2,-1.7 3,-2.5 2,-0.2 4,-1.7 0.942 70.5 45.2 -48.0 -91.5 -13.2 20.1 20.3 85 85 B K H 3> S+ 0 0 174 1,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.726 114.2 51.9 -22.3 -54.1 -14.6 23.4 19.1 86 86 B E H 3> S+ 0 0 105 2,-0.2 4,-2.8 1,-0.2 -1,-0.3 0.884 113.1 43.4 -59.6 -41.4 -11.5 25.2 20.3 87 87 B A H X S+ 0 0 57 -4,-2.6 3,-1.6 -5,-0.3 4,-0.9 0.964 112.1 48.8 -64.7 -53.2 -11.0 26.7 15.5 90 90 B A H 3< S+ 0 0 14 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.724 106.4 61.0 -58.5 -23.4 -7.3 26.7 16.3 91 91 B A H >< S+ 0 0 1 -4,-2.7 3,-1.1 1,-0.2 -1,-0.3 0.740 93.3 63.3 -76.4 -26.2 -7.0 24.3 13.4 92 92 B E H XX S+ 0 0 68 -3,-1.6 3,-2.5 -4,-0.8 4,-0.6 0.870 85.3 71.8 -67.0 -37.1 -8.3 26.9 11.0 93 93 B Q H >X S+ 0 0 109 -4,-0.9 4,-0.8 1,-0.3 3,-0.6 0.711 85.6 72.9 -51.5 -16.5 -5.4 29.2 11.6 94 94 B L H X> S+ 0 0 7 -3,-1.1 4,-2.2 1,-0.2 3,-0.6 0.841 83.0 63.7 -69.4 -33.4 -3.5 26.5 9.6 95 95 B K H <> S+ 0 0 56 -3,-2.5 4,-2.6 -4,-0.3 -1,-0.2 0.815 97.4 59.9 -60.9 -27.9 -5.2 27.6 6.3 96 96 B T H X S+ 0 0 68 -4,-2.9 4,-3.2 -5,-0.4 3,-1.5 0.996 103.6 57.8 -61.0 -56.7 1.7 28.1 -1.0 103 103 B Q H 3< S+ 0 0 170 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.780 115.1 37.8 -37.6 -39.0 1.7 31.6 -2.5 104 104 B K H 3< S+ 0 0 114 -4,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.674 134.5 16.7 -91.3 -21.3 5.4 31.6 -2.2 105 105 B Y H << 0 0 27 -4,-1.9 -58,-0.4 -3,-1.5 -3,-0.2 0.637 360.0 360.0-130.5 -15.9 6.2 28.0 -3.1 106 106 B L < 0 0 154 -4,-3.2 0, 0.0 -5,-0.3 0, 0.0 -0.246 360.0 360.0 -69.2 360.0 3.3 26.1 -4.8 107 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 108 1 D A 0 0 105 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 165.1 25.3 32.5 27.4 109 2 D D >> - 0 0 75 1,-0.1 3,-2.1 41,-0.0 4,-2.0 -0.641 360.0 -93.9-103.8 164.8 22.3 31.6 29.6 110 3 D L H 3> S+ 0 0 42 1,-0.3 4,-1.0 -2,-0.2 5,-0.1 0.628 126.4 60.0 -48.4 -15.6 18.6 32.4 29.3 111 4 D E H 3> S+ 0 0 148 2,-0.1 4,-1.1 3,-0.1 -1,-0.3 0.841 109.9 39.5 -81.9 -38.1 19.3 35.5 31.4 112 5 D D H <> S+ 0 0 59 -3,-2.1 4,-3.2 2,-0.2 5,-0.3 0.947 110.5 56.6 -76.1 -53.2 21.8 36.8 28.9 113 6 D N H X S+ 0 0 8 -4,-2.0 4,-1.4 1,-0.3 -3,-0.2 0.920 112.5 43.0 -43.3 -53.6 19.9 36.0 25.7 114 7 D M H X S+ 0 0 51 -4,-1.0 4,-3.2 -5,-0.2 5,-0.3 0.854 110.4 56.1 -64.1 -35.1 16.9 38.0 27.0 115 8 D E H X S+ 0 0 99 -4,-1.1 4,-2.8 1,-0.2 -1,-0.2 0.940 107.2 50.6 -59.4 -45.2 19.2 40.7 28.2 116 9 D T H X S+ 0 0 45 -4,-3.2 4,-1.7 2,-0.2 -1,-0.2 0.813 112.7 46.5 -61.7 -33.0 20.5 40.8 24.6 117 10 D L H X S+ 0 0 19 -4,-1.4 4,-3.0 -5,-0.3 5,-0.2 0.943 114.7 43.4 -77.3 -51.6 16.9 41.0 23.3 118 11 D N H X S+ 0 0 71 -4,-3.2 4,-1.4 2,-0.2 -2,-0.2 0.904 117.4 48.8 -61.2 -40.7 15.6 43.7 25.7 119 12 D D H >X S+ 0 0 82 -4,-2.8 4,-1.4 -5,-0.3 3,-0.5 0.999 117.7 37.6 -60.1 -67.6 18.8 45.7 25.2 120 13 D N H 3X S+ 0 0 21 -4,-1.7 4,-1.8 1,-0.2 -2,-0.2 0.806 108.1 63.2 -55.9 -38.0 18.9 45.5 21.4 121 14 D L H 3X S+ 0 0 13 -4,-3.0 4,-1.1 1,-0.2 3,-0.4 0.946 105.4 46.6 -55.3 -47.7 15.1 45.9 20.9 122 15 D K H XX S+ 0 0 125 -4,-1.4 4,-1.8 -3,-0.5 3,-0.6 0.881 104.3 62.8 -60.7 -38.4 15.3 49.4 22.5 123 16 D V H 3X S+ 0 0 69 -4,-1.4 4,-1.4 1,-0.3 -1,-0.2 0.900 100.7 53.6 -51.0 -45.1 18.3 50.2 20.3 124 17 D I H 3< S+ 0 0 1 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.840 105.0 54.4 -60.9 -35.2 16.1 49.7 17.2 125 18 D E H << S+ 0 0 88 -4,-1.1 -1,-0.2 -3,-0.6 -2,-0.2 0.905 113.9 38.5 -69.9 -40.1 13.5 52.2 18.6 126 19 D K H < S+ 0 0 189 -4,-1.8 -1,-0.2 -3,-0.1 -2,-0.2 0.611 95.0 106.1 -84.9 -14.1 16.0 55.1 19.1 127 20 D A < - 0 0 8 -4,-1.4 3,-0.1 -5,-0.3 -3,-0.0 -0.237 50.9-165.0 -64.1 156.3 17.9 54.3 15.9 128 21 D D + 0 0 120 1,-0.1 2,-0.3 64,-0.0 -1,-0.1 0.460 65.2 52.0-121.9 -8.6 17.5 56.7 12.9 129 22 D N S >> S- 0 0 66 1,-0.1 4,-1.3 62,-0.1 3,-0.7 -0.974 80.6-115.1-136.4 150.5 19.0 54.6 10.1 130 23 D A H 3> S+ 0 0 20 -2,-0.3 4,-2.5 1,-0.2 3,-0.4 0.862 107.5 63.6 -42.1 -56.0 18.6 51.1 8.6 131 24 D A H 3> S+ 0 0 50 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.848 101.9 48.0 -39.9 -55.1 22.2 50.0 9.5 132 25 D Q H <> S+ 0 0 65 -3,-0.7 4,-2.2 1,-0.2 -1,-0.3 0.918 113.3 50.6 -56.0 -45.0 21.7 50.3 13.3 133 26 D V H X S+ 0 0 0 -4,-1.3 4,-3.1 -3,-0.4 5,-0.2 0.928 109.2 48.7 -58.4 -52.4 18.4 48.4 13.0 134 27 D K H X S+ 0 0 87 -4,-2.5 4,-2.7 1,-0.2 -1,-0.2 0.909 111.9 48.7 -56.7 -46.5 19.9 45.5 11.0 135 28 D D H X S+ 0 0 101 -4,-2.3 4,-2.0 -5,-0.2 -1,-0.2 0.895 113.4 47.5 -62.1 -41.7 22.8 45.0 13.3 136 29 D A H X S+ 0 0 3 -4,-2.2 4,-3.0 -5,-0.2 -2,-0.2 0.972 112.8 47.8 -63.0 -54.1 20.5 45.0 16.3 137 30 D L H X S+ 0 0 0 -4,-3.1 4,-3.6 1,-0.2 -2,-0.2 0.877 109.3 54.8 -54.3 -42.7 18.1 42.6 14.7 138 31 D T H X S+ 0 0 70 -4,-2.7 4,-1.5 -5,-0.2 -1,-0.2 0.938 109.9 45.1 -58.7 -47.3 21.0 40.3 13.7 139 32 D K H X S+ 0 0 125 -4,-2.0 4,-2.0 1,-0.2 3,-0.5 0.960 114.3 51.0 -61.4 -46.0 22.1 40.2 17.3 140 33 D M H X S+ 0 0 6 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.928 102.6 57.6 -55.5 -50.9 18.5 39.6 18.4 141 34 D R H X S+ 0 0 55 -4,-3.6 4,-1.9 1,-0.2 -1,-0.2 0.868 108.1 49.7 -49.6 -39.0 18.0 36.8 15.9 142 35 D A H X S+ 0 0 59 -4,-1.5 4,-1.8 -3,-0.5 -1,-0.2 0.988 107.2 51.5 -62.7 -61.7 20.9 35.0 17.6 143 36 D A H X S+ 0 0 7 -4,-2.0 4,-2.9 1,-0.2 5,-0.2 0.862 109.5 53.1 -43.3 -44.9 19.7 35.4 21.1 144 37 D A H X S+ 0 0 0 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.981 106.3 48.3 -58.0 -62.8 16.4 34.0 20.2 145 38 D L H X S+ 0 0 61 -4,-1.9 4,-0.5 1,-0.2 -1,-0.2 0.775 115.5 50.4 -48.4 -27.2 17.6 30.7 18.6 146 39 D D H >< S+ 0 0 64 -4,-1.8 3,-0.9 2,-0.2 4,-0.5 0.918 108.6 46.8 -79.0 -48.6 19.7 30.4 21.7 147 40 D A H >< S+ 0 0 0 -4,-2.9 3,-1.0 1,-0.3 -2,-0.2 0.830 107.4 61.3 -61.4 -32.8 16.9 31.0 24.3 148 41 D Q H 3< S+ 0 0 20 -4,-2.7 -1,-0.3 1,-0.2 -2,-0.2 0.782 99.8 54.5 -64.6 -29.0 14.9 28.5 22.2 149 42 D K T << S+ 0 0 167 -3,-0.9 -1,-0.2 -4,-0.5 2,-0.2 0.552 99.1 76.8 -84.4 -9.0 17.5 25.8 22.9 150 43 D A S < S- 0 0 38 -3,-1.0 -41,-0.0 -4,-0.5 -3,-0.0 -0.615 79.2-121.4-101.7 163.8 17.3 26.2 26.7 151 44 D T - 0 0 68 -2,-0.2 5,-0.1 7,-0.0 -41,-0.1 -0.912 28.7-130.0-104.5 118.5 14.7 25.0 29.3 152 45 D P > - 0 0 7 0, 0.0 3,-2.7 0, 0.0 4,-0.5 -0.346 20.5-116.5 -66.2 146.8 13.2 27.8 31.3 153 46 D P G > S+ 0 0 90 0, 0.0 3,-2.5 0, 0.0 4,-0.3 0.943 115.4 60.6 -47.2 -56.1 13.2 27.3 35.1 154 47 D K G 3 S+ 0 0 132 58,-0.3 59,-0.1 1,-0.3 -3,-0.0 0.546 115.2 36.5 -51.3 -5.9 9.4 27.3 35.2 155 48 D L G X S+ 0 0 8 -3,-2.7 3,-1.8 57,-0.1 -1,-0.3 0.309 80.3 111.9-130.9 8.0 9.6 24.2 32.9 156 49 D E T < S+ 0 0 124 -3,-2.5 -2,-0.1 -4,-0.5 2,-0.0 0.937 79.5 48.3 -45.3 -67.9 12.7 22.3 34.1 157 50 D D T 3 S+ 0 0 162 -4,-0.3 -1,-0.3 2,-0.0 2,-0.1 0.272 98.2 105.5 -63.6 15.9 10.9 19.2 35.5 158 51 D K S < S- 0 0 99 -3,-1.8 -3,-0.1 4,-0.0 -7,-0.0 -0.410 75.0-108.5 -93.9 171.3 8.9 19.0 32.2 159 52 D S > - 0 0 50 -2,-0.1 3,-3.8 1,-0.1 6,-0.4 -0.838 19.6-127.2-102.4 136.6 9.2 16.7 29.3 160 53 D P T 3 S+ 0 0 101 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.616 116.7 51.4 -55.7 -8.4 10.6 17.9 25.9 161 54 D D T 3 S+ 0 0 117 4,-0.0 5,-0.0 5,-0.0 -3,-0.0 0.342 85.1 124.8-107.2 0.4 7.4 16.4 24.5 162 55 D S S <> S- 0 0 12 -3,-3.8 4,-1.5 1,-0.1 5,-0.2 -0.307 76.4-116.6 -64.1 144.8 5.3 18.3 27.0 163 56 D P H > S+ 0 0 62 0, 0.0 4,-1.6 0, 0.0 3,-0.4 0.902 116.5 55.0 -45.7 -44.3 2.5 20.5 25.6 164 57 D E H >> S+ 0 0 54 1,-0.2 4,-3.1 2,-0.2 3,-1.3 0.971 101.1 51.6 -54.2 -67.5 4.5 23.4 27.2 165 58 D M H 3> S+ 0 0 26 -6,-0.4 4,-2.2 1,-0.3 -1,-0.2 0.750 110.3 54.2 -43.4 -28.7 7.9 22.8 25.6 166 59 D K H 3X S+ 0 0 50 -4,-1.5 4,-2.2 -3,-0.4 -1,-0.3 0.878 110.8 42.7 -74.6 -41.5 6.0 22.8 22.3 167 60 D D H X S+ 0 0 4 -4,-2.7 4,-2.8 1,-0.3 3,-0.8 0.950 105.5 48.5 -43.1 -59.8 6.9 31.2 20.5 172 65 D Y H 3X S+ 0 0 25 -4,-1.6 4,-3.7 1,-0.3 5,-0.3 0.871 108.0 54.7 -49.1 -43.3 10.5 31.5 19.5 173 66 D D H 3X S+ 0 0 15 -4,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.896 109.8 47.4 -60.3 -38.0 9.6 30.4 16.0 174 67 D I H <>S+ 0 0 41 -4,-1.3 5,-2.4 1,-0.2 3,-1.1 0.885 108.9 50.6 -59.2 -37.7 12.7 45.4 5.6 186 79 D A H ><5S+ 0 0 6 -4,-1.7 3,-1.3 1,-0.3 -1,-0.2 0.796 104.0 57.1 -70.7 -27.5 15.9 46.9 7.0 187 80 D N T 3<5S+ 0 0 114 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.481 107.5 50.9 -80.1 -2.2 17.9 45.3 4.2 188 81 D E T < 5S- 0 0 84 -3,-1.1 -1,-0.3 -4,-0.3 -2,-0.2 0.160 120.6-112.9-115.3 11.5 15.5 47.2 1.9 189 82 D G T < 5S+ 0 0 49 -3,-1.3 2,-1.3 1,-0.1 -3,-0.2 0.616 70.7 140.1 67.4 16.6 16.2 50.4 3.8 190 83 D K >< + 0 0 68 -5,-2.4 4,-3.3 1,-0.2 3,-0.3 -0.283 19.8 169.8 -86.0 52.4 12.7 50.8 5.3 191 84 D V H > S+ 0 0 22 -2,-1.3 4,-2.2 1,-0.3 -1,-0.2 0.733 77.4 42.2 -32.9 -40.0 14.0 52.1 8.6 192 85 D K H > S+ 0 0 137 -3,-0.2 4,-3.3 2,-0.2 -1,-0.3 0.948 114.7 46.5 -78.2 -49.7 10.5 53.0 9.7 193 86 D E H > S+ 0 0 100 -3,-0.3 4,-2.0 2,-0.2 -2,-0.2 0.849 115.4 51.6 -59.5 -33.0 8.7 49.9 8.4 194 87 D A H X S+ 0 0 0 -4,-3.3 4,-2.7 2,-0.2 3,-0.3 0.990 111.0 43.3 -67.1 -62.0 11.4 47.9 10.0 195 88 D Q H X S+ 0 0 28 -4,-2.2 4,-1.8 -5,-0.3 -2,-0.2 0.940 112.5 55.7 -48.6 -49.6 11.2 49.6 13.4 196 89 D A H X S+ 0 0 52 -4,-3.3 4,-0.7 1,-0.2 3,-0.4 0.904 108.4 47.3 -48.8 -48.2 7.4 49.3 13.1 197 90 D A H >< S+ 0 0 23 -4,-2.0 3,-1.9 -3,-0.3 4,-0.4 0.931 104.7 60.2 -60.2 -46.8 7.7 45.6 12.6 198 91 D A H >X S+ 0 0 2 -4,-2.7 3,-2.3 1,-0.3 4,-0.5 0.852 94.5 65.3 -49.1 -38.0 10.1 45.3 15.5 199 92 D E H >X S+ 0 0 82 -4,-1.8 3,-1.1 -3,-0.4 4,-0.8 0.855 89.1 66.7 -53.6 -36.7 7.3 46.7 17.7 200 93 D Q H S+ 0 0 6 -3,-2.3 4,-1.4 -4,-0.4 -1,-0.3 0.905 89.7 57.9 -66.0 -42.0 8.0 41.6 18.9 202 95 D K H XX S+ 0 0 37 -3,-1.1 4,-2.9 -4,-0.5 3,-1.2 0.937 100.1 57.9 -53.1 -49.0 6.8 43.0 22.2 203 96 D T H 3X S+ 0 0 95 -4,-0.8 4,-1.6 1,-0.3 -1,-0.2 0.917 108.0 47.5 -46.2 -49.0 3.3 41.6 21.6 204 97 D T H 3X S+ 0 0 16 -4,-1.2 4,-1.3 1,-0.2 -1,-0.3 0.728 113.7 48.4 -64.7 -27.2 4.9 38.1 21.3 205 98 D R H