==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 23-OCT-00 1G2Y . COMPND 2 MOLECULE: HEPATOCYTE NUCLEAR FACTOR 1-ALPHA; . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.B.ROSE,J.A.ENDRIZZI,J.D.CRONK,J.HOLTON,T.ALBER . 120 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6977.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 86 71.7 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 . 1 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 61.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.5 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 0 0 0 3 1 0 0 0 0 0 0 3 1 0 0 0 0 0 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 . 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 A M 0 0 139 0, 0.0 3,-0.1 0, 0.0 6,-0.0 0.000 360.0 360.0 360.0 51.7 23.6 15.1 6.2 2 2 A V - 0 0 137 1,-0.1 2,-0.3 2,-0.0 3,-0.1 0.878 360.0 -4.3 -63.5 -46.4 22.7 11.4 6.2 3 3 A S > - 0 0 55 1,-0.1 4,-2.4 0, 0.0 5,-0.2 -0.975 62.7-110.1-152.2 161.0 20.5 10.9 3.1 4 4 A K H > S+ 0 0 135 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.887 120.3 50.9 -58.3 -40.9 18.8 12.7 0.3 5 5 A L H > S+ 0 0 31 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.933 109.1 49.2 -65.1 -43.4 15.5 11.9 2.0 6 6 A S H > S+ 0 0 35 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.925 111.3 49.8 -63.0 -39.9 16.5 13.3 5.4 7 7 A Q H X S+ 0 0 83 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.929 112.0 47.8 -63.2 -42.9 17.9 16.5 3.8 8 8 A L H X S+ 0 0 1 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.905 110.5 51.6 -64.6 -42.4 14.6 17.0 1.9 9 9 A Q H X S+ 0 0 15 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.928 108.7 52.3 -58.1 -42.3 12.6 16.3 5.1 10 10 A T H X S+ 0 0 91 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.914 110.4 47.2 -59.2 -46.1 14.7 18.9 6.9 11 11 A E H X S+ 0 0 59 -4,-2.1 4,-2.6 1,-0.2 -1,-0.2 0.903 110.9 52.1 -62.8 -43.6 14.0 21.5 4.2 12 12 A X H X S+ 0 0 2 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.909 108.9 49.1 -60.8 -48.2 10.3 20.8 4.2 13 13 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 5,-0.2 0.936 112.9 48.1 -58.5 -45.0 9.9 21.2 7.9 14 14 A A H X S+ 0 0 56 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.939 110.9 51.4 -59.4 -45.8 11.8 24.5 7.8 15 15 A A H X S+ 0 0 5 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.881 108.0 52.5 -59.2 -38.7 9.7 25.7 4.9 16 16 A L H <>S+ 0 0 0 -4,-2.2 5,-1.8 2,-0.2 4,-0.4 0.929 109.7 46.7 -65.1 -48.5 6.5 24.9 6.7 17 17 A L H ><5S+ 0 0 47 -4,-2.1 3,-1.4 1,-0.2 -2,-0.2 0.917 111.1 53.6 -60.2 -40.4 7.4 26.9 9.9 18 18 A E H 3<5S+ 0 0 90 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.874 102.9 58.2 -60.6 -37.0 8.5 29.8 7.6 19 19 A S T 3<5S- 0 0 6 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.555 127.5 -94.4 -70.6 -10.3 5.1 29.7 5.9 20 20 A G T < 5S+ 0 0 53 -3,-1.4 2,-0.3 -4,-0.4 -3,-0.2 0.434 73.8 146.1 114.1 -5.0 3.3 30.3 9.2 21 21 A L < - 0 0 23 -5,-1.8 -1,-0.3 1,-0.1 -2,-0.0 -0.526 50.5-120.2 -67.0 126.1 2.4 26.8 10.4 22 22 A S > - 0 0 61 -2,-0.3 4,-2.1 1,-0.1 5,-0.2 -0.342 8.7-122.7 -66.4 160.2 2.7 26.8 14.1 23 23 A K H > S+ 0 0 116 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 115.7 54.9 -62.6 -38.8 5.0 24.5 16.1 24 24 A E H > S+ 0 0 156 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.939 107.1 48.2 -61.6 -45.1 2.0 23.2 17.9 25 25 A A H > S+ 0 0 14 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.892 110.0 53.8 -63.5 -34.9 0.2 22.3 14.5 26 26 A L H X S+ 0 0 2 -4,-2.1 4,-2.5 2,-0.2 5,-0.3 0.950 110.9 45.6 -61.7 -47.2 3.4 20.6 13.4 27 27 A I H X S+ 0 0 93 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.923 109.6 54.9 -60.5 -44.8 3.5 18.5 16.6 28 28 A Q H < S+ 0 0 142 -4,-2.8 -1,-0.2 1,-0.2 -2,-0.2 0.898 115.8 38.4 -55.5 -44.3 -0.2 17.7 16.2 29 29 A A H < S+ 0 0 35 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.857 131.3 22.9 -74.6 -40.5 0.3 16.3 12.7 30 30 A L H < 0 0 23 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.2 0.503 360.0 360.0-110.2 -13.1 3.6 14.6 13.1 31 31 A G < 0 0 90 -4,-2.6 -3,-0.1 -5,-0.3 -1,-0.1 0.577 360.0 360.0 -78.9 360.0 4.1 13.7 16.8 32 !* 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 33 1 B M 0 0 238 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -16.6 6.2 41.8 -1.3 34 2 B V - 0 0 95 4,-0.0 2,-0.0 3,-0.0 0, 0.0 -0.971 360.0-134.5-119.8 121.3 6.3 38.0 -1.2 35 3 B S > - 0 0 69 -2,-0.5 4,-2.5 1,-0.1 5,-0.2 -0.326 22.4-116.9 -70.4 158.5 3.3 36.0 -0.2 36 4 B K H > S+ 0 0 119 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.900 117.2 50.0 -57.7 -41.4 3.6 33.1 2.2 37 5 B L H > S+ 0 0 35 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.911 108.8 49.7 -65.7 -44.2 2.4 30.7 -0.5 38 6 B S H > S+ 0 0 49 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.924 113.7 46.7 -60.7 -46.4 4.9 32.0 -3.1 39 7 B Q H X S+ 0 0 55 -4,-2.5 4,-2.4 2,-0.2 5,-0.2 0.937 113.2 48.8 -59.2 -45.5 7.8 31.6 -0.7 40 8 B L H X S+ 0 0 1 -4,-2.5 4,-2.7 -5,-0.2 -2,-0.2 0.930 111.0 50.2 -61.4 -44.5 6.6 28.2 0.3 41 9 B Q H X S+ 0 0 18 -4,-3.1 4,-2.5 1,-0.2 5,-0.2 0.925 112.4 46.8 -59.6 -46.2 6.3 27.1 -3.4 42 10 B T H X S+ 0 0 65 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.891 112.8 48.8 -64.1 -41.6 9.7 28.3 -4.2 43 11 B E H X S+ 0 0 73 -4,-2.4 4,-2.4 -5,-0.2 -2,-0.2 0.918 112.2 49.7 -63.9 -44.3 11.3 26.7 -1.2 44 12 B X H X S+ 0 0 3 -4,-2.7 4,-2.0 -5,-0.2 -2,-0.2 0.945 112.3 46.0 -60.6 -48.2 9.6 23.4 -2.0 45 13 B L H X S+ 0 0 20 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.924 112.1 50.5 -63.5 -44.7 10.7 23.3 -5.6 46 14 B A H X S+ 0 0 38 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.919 109.4 52.0 -58.9 -42.9 14.3 24.2 -4.8 47 15 B A H X S+ 0 0 6 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.883 107.9 52.7 -60.7 -37.8 14.4 21.5 -2.2 48 16 B L H <>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 3,-0.3 0.940 109.2 47.3 -61.9 -46.9 13.2 19.0 -4.7 49 17 B L H ><5S+ 0 0 69 -4,-2.4 3,-1.7 1,-0.2 -2,-0.2 0.910 110.4 53.1 -61.4 -40.5 15.8 20.0 -7.2 50 18 B E H 3<5S+ 0 0 122 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.788 100.7 62.4 -66.7 -21.0 18.5 19.7 -4.4 51 19 B S T 3<5S- 0 0 4 -4,-1.4 -1,-0.3 -3,-0.3 -2,-0.2 0.460 128.3 -96.4 -82.6 -1.0 17.2 16.2 -3.7 52 20 B G T < 5 + 0 0 49 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.557 55.5 179.3 100.3 10.2 18.2 15.2 -7.2 53 21 B L < - 0 0 16 -5,-1.9 -1,-0.2 1,-0.1 2,-0.1 -0.172 24.2-131.5 -47.6 131.2 14.9 15.5 -9.0 54 22 B S > - 0 0 61 1,-0.1 4,-1.5 69,-0.0 5,-0.1 -0.380 12.6-120.5 -88.2 164.0 15.5 14.6 -12.7 55 23 B K H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.897 116.3 57.6 -68.2 -34.9 14.6 16.4 -15.9 56 24 B E H > S+ 0 0 73 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.913 104.2 52.7 -61.5 -36.5 12.6 13.3 -16.9 57 25 B A H > S+ 0 0 29 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.890 107.7 50.3 -66.9 -37.5 10.6 13.7 -13.6 58 26 B L H X S+ 0 0 2 -4,-1.5 4,-1.6 2,-0.2 -1,-0.2 0.935 109.0 52.6 -64.1 -43.4 9.8 17.3 -14.4 59 27 B I H < S+ 0 0 103 -4,-2.6 3,-0.3 1,-0.2 -2,-0.2 0.939 110.2 48.2 -55.9 -48.5 8.6 16.3 -17.9 60 28 B Q H < S+ 0 0 87 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.896 109.3 51.5 -60.2 -42.5 6.3 13.7 -16.4 61 29 B A H < 0 0 36 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.806 360.0 360.0 -64.5 -30.6 4.9 16.1 -13.9 62 30 B L < 0 0 56 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.598 360.0 360.0 -81.8 360.0 4.2 18.5 -16.7 63 !* 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 64 2 C V 0 0 140 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 140.6 -10.0 25.3 0.9 65 3 C S > - 0 0 69 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.417 360.0-129.7 -67.7 145.4 -7.2 27.9 0.7 66 4 C K H > S+ 0 0 105 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.892 108.2 51.1 -62.0 -38.8 -4.3 26.9 -1.6 67 5 C L H > S+ 0 0 44 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.968 111.8 45.4 -63.7 -50.4 -1.8 27.8 1.2 68 6 C S H > S+ 0 0 48 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.887 113.6 50.6 -60.3 -39.7 -3.5 25.6 3.8 69 7 C Q H X S+ 0 0 54 -4,-2.3 4,-2.8 2,-0.2 -1,-0.2 0.923 109.8 48.9 -65.0 -43.6 -3.9 22.8 1.4 70 8 C L H X S+ 0 0 2 -4,-2.4 4,-2.7 1,-0.2 5,-0.2 0.931 112.3 49.0 -62.9 -43.2 -0.2 22.8 0.3 71 9 C Q H X S+ 0 0 21 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.917 112.7 48.7 -59.3 -46.8 0.8 22.9 4.0 72 10 C T H X S+ 0 0 82 -4,-2.3 4,-2.3 -5,-0.2 -2,-0.2 0.911 112.3 47.1 -58.4 -47.0 -1.6 19.9 4.7 73 11 C E H X S+ 0 0 71 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.904 111.2 52.1 -66.6 -36.4 -0.3 17.9 1.7 74 12 C X H X S+ 0 0 0 -4,-2.7 4,-2.5 -5,-0.2 -2,-0.2 0.922 109.6 50.5 -65.2 -42.5 3.3 18.6 2.7 75 13 C L H X S+ 0 0 14 -4,-2.4 4,-2.8 -5,-0.2 -2,-0.2 0.942 110.8 47.4 -59.6 -48.4 2.5 17.3 6.3 76 14 C A H X S+ 0 0 41 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.909 111.7 51.1 -60.6 -41.2 0.9 14.1 5.0 77 15 C A H X S+ 0 0 5 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.904 110.2 49.7 -63.8 -39.9 3.9 13.5 2.7 78 16 C L H X S+ 0 0 0 -4,-2.5 4,-0.7 1,-0.2 5,-0.3 0.948 111.7 48.5 -58.9 -50.3 6.3 14.0 5.6 79 17 C L H >< S+ 0 0 101 -4,-2.8 3,-1.0 1,-0.2 4,-0.3 0.919 113.3 46.6 -56.9 -42.7 4.3 11.6 7.7 80 18 C E H 3< S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.762 103.6 62.8 -73.6 -24.5 4.2 9.0 5.0 81 19 C S H 3< S- 0 0 6 -4,-1.8 -1,-0.2 -3,-0.2 -2,-0.2 0.601 118.4-106.7 -76.4 -11.8 7.9 9.4 4.2 82 20 C G << - 0 0 42 -3,-1.0 2,-0.6 -4,-0.7 -3,-0.1 0.941 40.3-166.6 84.2 72.5 8.8 8.1 7.8 83 21 C L - 0 0 22 -4,-0.3 -1,-0.2 -5,-0.3 2,-0.0 -0.876 19.3-127.8 -92.7 120.6 9.9 11.1 9.8 84 22 C S > - 0 0 50 -2,-0.6 4,-1.8 1,-0.1 5,-0.1 -0.315 13.4-120.2 -68.1 157.2 11.6 10.1 13.0 85 23 C K H > S+ 0 0 164 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.884 116.4 53.5 -62.0 -36.8 10.7 11.5 16.4 86 24 C E H > S+ 0 0 160 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.865 106.3 51.4 -66.3 -38.9 14.2 12.8 16.7 87 25 C A H > S+ 0 0 31 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.878 108.1 51.6 -68.2 -36.6 14.0 14.6 13.4 88 26 C L H X S+ 0 0 17 -4,-1.8 4,-1.2 2,-0.2 -2,-0.2 0.957 110.5 48.7 -63.3 -47.7 10.9 16.3 14.4 89 27 C I H >< S+ 0 0 123 -4,-2.1 3,-0.5 1,-0.2 -2,-0.2 0.913 109.3 53.2 -58.8 -40.6 12.5 17.5 17.7 90 28 C Q H 3< S+ 0 0 161 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.938 107.2 50.9 -63.0 -40.9 15.5 18.8 15.8 91 29 C A H 3< 0 0 36 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.791 360.0 360.0 -68.0 -22.8 13.3 20.9 13.5 92 30 C L << 0 0 60 -4,-1.2 -1,-0.2 -3,-0.5 -2,-0.2 0.687 360.0 360.0 -92.4 360.0 11.5 22.4 16.5 93 !* 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 94 1 D M 0 0 148 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-118.0 8.5 -0.0 -7.0 95 2 D V - 0 0 79 4,-0.0 2,-0.1 5,-0.0 0, 0.0 0.863 360.0-127.6 59.1 109.9 8.6 3.5 -6.4 96 3 D S > - 0 0 72 1,-0.1 4,-2.7 4,-0.0 5,-0.3 -0.327 23.1-107.1 -77.3 163.7 11.0 4.5 -3.7 97 4 D K H > S+ 0 0 129 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.914 121.9 46.9 -54.9 -44.9 10.0 6.7 -0.7 98 5 D L H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.944 111.8 48.7 -68.6 -44.1 12.0 9.6 -2.2 99 6 D S H > S+ 0 0 40 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.919 112.2 49.3 -60.1 -42.2 10.6 9.2 -5.7 100 7 D Q H X S+ 0 0 83 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.927 111.6 49.1 -63.5 -42.8 7.0 9.0 -4.4 101 8 D L H X S+ 0 0 5 -4,-2.3 4,-2.3 -5,-0.3 -1,-0.2 0.930 112.4 48.2 -61.4 -45.8 7.6 12.2 -2.2 102 9 D Q H X S+ 0 0 26 -4,-2.7 4,-2.2 2,-0.2 -2,-0.2 0.942 112.6 47.7 -62.6 -48.2 9.0 14.0 -5.2 103 10 D T H X S+ 0 0 81 -4,-2.7 4,-2.1 1,-0.2 -2,-0.2 0.945 114.6 46.2 -58.1 -49.1 6.1 13.0 -7.5 104 11 D E H X S+ 0 0 71 -4,-2.7 4,-2.4 -5,-0.2 -1,-0.2 0.860 111.4 51.2 -64.5 -36.6 3.4 14.0 -5.0 105 12 D X H X S+ 0 0 4 -4,-2.3 4,-2.4 -5,-0.2 -1,-0.2 0.880 107.0 52.9 -74.7 -29.4 5.1 17.3 -4.1 106 13 D L H X S+ 0 0 2 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.950 112.4 46.9 -64.7 -43.7 5.3 18.3 -7.8 107 14 D A H X S+ 0 0 59 -4,-2.1 4,-2.9 1,-0.2 -2,-0.2 0.913 111.5 50.3 -60.2 -43.4 1.6 17.6 -8.0 108 15 D A H X S+ 0 0 4 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.882 107.9 53.3 -64.1 -37.6 0.9 19.5 -4.9 109 16 D L H <>S+ 0 0 0 -4,-2.4 5,-1.9 2,-0.2 4,-0.4 0.954 112.1 44.8 -63.1 -44.2 2.8 22.5 -6.2 110 17 D L H ><5S+ 0 0 45 -4,-2.3 3,-1.7 1,-0.2 -2,-0.2 0.934 112.3 51.9 -63.3 -44.2 0.7 22.5 -9.4 111 18 D E H 3<5S+ 0 0 45 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.866 104.0 58.4 -59.6 -34.3 -2.5 22.1 -7.4 112 19 D S T 3<5S- 0 0 4 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.2 0.579 126.6 -97.0 -74.3 -11.2 -1.5 25.0 -5.2 113 20 D G T < 5 + 0 0 56 -3,-1.7 -3,-0.2 -4,-0.4 2,-0.2 0.368 68.7 152.3 112.3 1.1 -1.4 27.3 -8.2 114 21 D L < - 0 0 25 -5,-1.9 -1,-0.3 1,-0.1 5,-0.1 -0.403 51.2-110.9 -65.6 131.5 2.3 27.4 -9.1 115 22 D S >> - 0 0 65 -2,-0.2 3,-1.7 1,-0.2 4,-0.7 -0.291 10.9-127.9 -64.0 142.4 2.7 28.1 -12.8 116 23 D K H >> S+ 0 0 113 1,-0.3 4,-2.7 2,-0.2 3,-0.7 0.815 107.4 75.4 -56.0 -29.6 4.0 25.3 -15.0 117 24 D E H 3> S+ 0 0 123 1,-0.3 4,-2.7 2,-0.2 -1,-0.3 0.846 87.6 59.2 -52.4 -35.9 6.4 27.9 -16.2 118 25 D A H <> S+ 0 0 23 -3,-1.7 4,-1.3 1,-0.2 -1,-0.3 0.900 109.7 41.2 -59.7 -42.2 8.3 27.4 -12.8 119 26 D L H < S+ 0 0 74 -4,-2.7 3,-0.7 1,-0.2 -2,-0.2 0.913 103.6 56.4 -61.9 -35.4 9.7 24.5 -17.2 121 28 D Q H 3< S+ 0 0 167 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.885 101.9 56.3 -63.6 -38.2 12.4 26.9 -16.0 122 29 D A H 3< 0 0 28 -4,-1.3 -1,-0.3 -5,-0.2 -2,-0.2 0.841 360.0 360.0 -66.0 -25.1 14.0 24.2 -14.0 123 30 D L << 0 0 69 -4,-1.1 -69,-0.0 -3,-0.7 -68,-0.0 -0.344 360.0 360.0 -64.3 360.0 14.3 22.0 -17.3