==== 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 OXIDOREDUCTASE 04-FEB-09 3G4X . COMPND 2 MOLECULE: SUPEROXIDE DISMUTASE [NI]; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR; . AUTHOR S.C.GARMAN,A.I.GUCE,R.W.HERBST,P.A.BRYNGELSON,D.E.CABELLI, . 350 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18881.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 78.3 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 240 68.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.7 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 3 0 0 0 0 0 0 0 0 0 3 3 0 0 0 0 2 1 0 0 0 0 3 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 H 0 0 69 0, 0.0 8,-0.1 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 7.0 -10.1 22.0 26.8 2 2 A C - 0 0 85 6,-0.1 55,-0.0 59,-0.1 0, 0.0 0.355 360.0-119.2-101.7 -2.3 -10.9 18.8 28.7 3 3 A D S S+ 0 0 115 54,-0.1 0, 0.0 1,-0.0 0, 0.0 0.636 88.8 105.2 75.7 16.2 -14.3 18.2 26.9 4 4 A L S S- 0 0 141 0, 0.0 2,-0.1 0, 0.0 -1,-0.0 0.940 104.7-109.6 -55.6 -52.5 -16.4 18.4 30.2 5 5 A P + 0 0 107 0, 0.0 56,-0.0 0, 0.0 0, 0.0 0.543 66.0 163.2 -81.3 152.7 -17.0 21.1 28.9 6 6 A C - 0 0 56 2,-0.1 3,-0.1 -2,-0.1 0, 0.0 0.514 42.8-132.5-108.8 -12.2 -15.0 23.3 31.3 7 7 A G + 0 0 49 1,-0.2 2,-0.7 0, 0.0 55,-0.0 0.613 63.7 128.2 65.9 14.6 -14.9 26.4 29.1 8 8 A V + 0 0 91 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 -0.894 27.7 150.5-102.6 109.1 -11.1 27.0 29.6 9 9 A F + 0 0 21 -2,-0.7 3,-0.0 -3,-0.1 49,-0.0 -0.981 14.4 165.1-133.8 147.4 -9.3 27.4 26.3 10 10 A D > - 0 0 64 -2,-0.3 3,-2.0 1,-0.0 4,-0.4 -0.756 33.4-144.1-161.0 122.2 -6.2 29.3 25.2 11 11 A P T 3> S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 3,-0.2 0.608 91.4 87.8 -61.8 -9.9 -4.2 28.8 21.9 12 12 A A H 3> S+ 0 0 25 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.767 80.5 60.3 -53.8 -30.0 -1.1 29.5 24.1 13 13 A Q H <> S+ 0 0 62 -3,-2.0 4,-1.5 2,-0.2 -1,-0.2 0.957 109.9 39.6 -65.8 -49.8 -1.0 25.7 24.8 14 14 A A H > S+ 0 0 1 -4,-0.4 4,-2.3 1,-0.2 -2,-0.2 0.927 116.2 53.9 -59.5 -47.7 -0.6 24.9 21.1 15 15 A R H X S+ 0 0 103 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.903 106.3 49.2 -55.4 -50.9 1.8 27.9 20.7 16 16 A I H X S+ 0 0 89 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.887 111.8 48.9 -61.7 -39.4 4.2 26.9 23.5 17 17 A E H X S+ 0 0 25 -4,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.901 112.2 49.0 -65.5 -40.8 4.5 23.4 22.2 18 18 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.803 107.4 55.2 -66.9 -31.3 5.2 24.8 18.6 19 19 A E H X S+ 0 0 81 -4,-2.2 4,-2.8 2,-0.2 -1,-0.2 0.885 107.1 51.0 -62.5 -44.5 7.8 27.1 20.1 20 20 A S H X S+ 0 0 44 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.891 107.5 53.1 -58.6 -42.5 9.5 24.0 21.5 21 21 A V H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -2,-0.2 0.963 113.1 42.8 -57.0 -52.5 9.4 22.4 18.1 22 22 A K H X S+ 0 0 48 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.913 113.0 52.6 -63.1 -40.5 11.1 25.4 16.5 23 23 A A H X S+ 0 0 38 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.886 108.5 50.3 -64.6 -38.6 13.6 25.7 19.4 24 24 A V H X S+ 0 0 24 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.915 108.0 53.2 -64.3 -41.5 14.6 22.1 19.1 25 25 A Q H X S+ 0 0 1 -4,-2.2 4,-0.7 -5,-0.2 -2,-0.2 0.936 109.3 49.8 -57.2 -42.7 15.1 22.6 15.3 26 26 A E H >< S+ 0 0 100 -4,-2.3 3,-0.8 1,-0.2 4,-0.3 0.891 108.9 51.6 -62.6 -41.2 17.4 25.5 16.1 27 27 A K H >X S+ 0 0 138 -4,-2.0 3,-2.0 1,-0.2 4,-0.6 0.882 99.9 63.6 -63.4 -40.2 19.4 23.4 18.7 28 28 A M H 3< S+ 0 0 12 -4,-2.3 3,-0.3 1,-0.3 -1,-0.2 0.758 98.5 56.2 -56.4 -21.6 20.0 20.6 16.1 29 29 A A T << S+ 0 0 90 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.643 106.1 52.6 -84.1 -14.4 22.0 23.1 14.0 30 30 A G T <4 S+ 0 0 71 -3,-2.0 2,-0.3 -4,-0.3 -2,-0.2 0.477 111.2 35.9-100.1 -4.7 24.3 23.8 17.0 31 31 A N < - 0 0 67 -4,-0.6 -1,-0.2 -3,-0.3 6,-0.0 -0.823 52.2-169.5-155.9 108.0 25.5 20.3 18.0 32 32 A D + 0 0 141 -2,-0.3 -1,-0.1 -3,-0.1 -4,-0.1 0.368 40.6 136.7 -86.4 9.6 26.1 17.4 15.6 33 33 A D > - 0 0 59 1,-0.2 4,-2.9 2,-0.1 5,-0.2 -0.334 54.6-140.2 -52.0 125.1 26.5 14.8 18.4 34 34 A P H > S+ 0 0 92 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.877 101.8 52.0 -61.6 -34.9 24.5 11.8 17.0 35 35 A H H > S+ 0 0 7 2,-0.2 4,-2.4 1,-0.2 5,-0.1 0.919 112.2 44.9 -64.9 -45.9 23.0 11.1 20.5 36 36 A F H > S+ 0 0 48 2,-0.2 4,-3.0 1,-0.2 5,-0.3 0.918 111.1 54.5 -58.3 -48.2 21.9 14.7 20.9 37 37 A Q H X S+ 0 0 33 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.922 110.9 46.2 -53.5 -43.7 20.5 14.6 17.3 38 38 A T H X S+ 0 0 14 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.916 112.9 47.7 -68.2 -45.0 18.5 11.5 18.2 39 39 A R H X S+ 0 0 44 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.926 111.5 51.0 -61.1 -45.8 17.2 13.0 21.5 40 40 A A H X S+ 0 0 6 -4,-3.0 4,-2.8 2,-0.2 -1,-0.2 0.912 110.7 50.4 -54.3 -44.1 16.2 16.2 19.7 41 41 A T H X S+ 0 0 2 -4,-2.1 4,-1.9 -5,-0.3 -2,-0.2 0.926 111.0 48.2 -62.4 -44.7 14.4 14.1 17.1 42 42 A V H X S+ 0 0 6 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.937 115.5 44.3 -57.5 -50.0 12.5 12.2 19.9 43 43 A I H X S+ 0 0 44 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.901 110.7 53.0 -67.5 -40.9 11.5 15.4 21.7 44 44 A K H X S+ 0 0 0 -4,-2.8 4,-2.1 -5,-0.2 5,-0.2 0.903 107.4 52.2 -64.7 -39.4 10.5 17.2 18.6 45 45 A E H X S+ 0 0 13 -4,-1.9 4,-2.0 -5,-0.2 -1,-0.2 0.954 113.2 45.0 -59.4 -47.1 8.1 14.4 17.5 46 46 A Q H X S+ 0 0 76 -4,-1.8 4,-2.2 1,-0.2 -2,-0.2 0.939 114.4 46.1 -63.1 -51.6 6.4 14.4 20.9 47 47 A R H X S+ 0 0 79 -4,-2.8 4,-2.3 1,-0.2 -1,-0.2 0.871 112.7 50.1 -61.0 -40.8 6.0 18.2 21.2 48 48 A A H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.891 109.3 52.5 -65.3 -40.7 4.7 18.5 17.7 49 49 A E H X S+ 0 0 99 -4,-2.0 4,-2.0 -5,-0.2 -2,-0.2 0.890 109.8 47.7 -59.5 -41.6 2.2 15.8 18.4 50 50 A L H X S+ 0 0 69 -4,-2.2 4,-2.7 2,-0.2 -2,-0.2 0.891 109.6 54.1 -67.8 -37.3 1.0 17.7 21.6 51 51 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.931 107.9 49.5 -60.4 -46.6 0.8 20.9 19.5 52 52 A K H X S+ 0 0 53 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.901 110.0 51.5 -59.1 -42.0 -1.5 19.1 17.0 53 53 A H H X S+ 0 0 108 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.953 110.5 48.2 -61.0 -48.2 -3.7 17.8 19.8 54 54 A H H X S+ 0 0 33 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.891 113.6 47.7 -59.0 -39.6 -4.1 21.3 21.2 55 55 A V H X S+ 0 0 1 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.936 112.1 48.0 -69.7 -46.9 -4.9 22.7 17.8 56 56 A S H X S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 5,-0.3 0.907 109.3 55.3 -58.2 -42.2 -7.5 20.0 17.0 57 57 A V H X>S+ 0 0 17 -4,-2.6 4,-3.5 -5,-0.2 5,-0.9 0.899 105.5 50.7 -58.3 -45.1 -9.1 20.5 20.5 58 58 A L H X>S+ 0 0 7 -4,-1.8 5,-2.9 3,-0.2 4,-1.1 0.906 113.6 46.6 -55.7 -44.5 -9.7 24.2 19.8 59 59 A W H <5S+ 0 0 95 -4,-1.8 -2,-0.2 3,-0.2 -1,-0.2 0.900 123.8 31.0 -69.6 -39.1 -11.3 23.4 16.5 60 60 A S H <5S+ 0 0 66 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.873 131.9 27.2 -90.0 -37.7 -13.5 20.6 17.8 61 61 A D H <5S+ 0 0 32 -4,-3.5 -3,-0.2 -5,-0.3 -2,-0.1 0.747 128.9 31.2-103.5 -26.7 -14.2 21.6 21.4 62 62 A Y T <> - 0 0 109 -2,-0.0 4,-1.5 1,-0.0 3,-1.4 -0.793 37.7 -87.6-128.4 167.5 -18.8 26.4 17.3 65 65 A P H 3> S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.794 123.7 53.7 -52.9 -37.3 -21.1 26.7 14.2 66 66 A P H 3> S+ 0 0 89 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.868 108.1 52.0 -63.5 -32.3 -21.5 30.5 14.5 67 67 A H H <> S+ 0 0 34 -3,-1.4 4,-2.0 2,-0.2 7,-0.1 0.871 109.4 49.0 -66.5 -39.0 -17.7 30.9 14.6 68 68 A F H < S+ 0 0 42 -4,-1.5 6,-0.2 2,-0.2 -1,-0.2 0.822 110.6 51.4 -70.6 -35.6 -17.5 28.8 11.4 69 69 A E H < S+ 0 0 170 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.954 115.0 41.5 -57.7 -56.1 -20.2 31.0 9.8 70 70 A K H < S+ 0 0 144 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.768 125.7 36.4 -64.8 -33.5 -18.3 34.2 10.6 71 71 A Y >< + 0 0 17 -4,-2.0 3,-2.4 -5,-0.2 4,-0.4 -0.706 66.6 172.5-121.9 77.8 -14.9 32.7 9.7 72 72 A P T 3 S+ 0 0 102 0, 0.0 4,-0.3 0, 0.0 3,-0.2 0.690 79.9 55.7 -62.7 -16.9 -15.6 30.4 6.7 73 73 A E T 3> S+ 0 0 100 1,-0.2 4,-2.1 2,-0.1 5,-0.1 0.300 80.9 92.7 -93.0 5.2 -11.8 29.9 6.2 74 74 A L H <> S+ 0 0 0 -3,-2.4 4,-2.5 -6,-0.2 5,-0.3 0.949 80.4 55.1 -68.7 -42.8 -11.4 28.6 9.8 75 75 A H H > S+ 0 0 86 -4,-0.4 4,-2.0 1,-0.2 -1,-0.2 0.936 113.5 40.0 -50.1 -57.8 -11.8 24.9 8.8 76 76 A Q H > S+ 0 0 108 -4,-0.3 4,-3.2 1,-0.2 -1,-0.2 0.867 112.4 57.4 -60.6 -42.6 -9.0 25.0 6.2 77 77 A L H X S+ 0 0 14 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.900 107.8 46.7 -52.7 -47.3 -6.9 27.2 8.4 78 78 A V H X S+ 0 0 2 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.930 113.5 49.1 -67.4 -38.2 -7.0 24.5 11.2 79 79 A N H X S+ 0 0 63 -4,-2.0 4,-2.8 -5,-0.3 -2,-0.2 0.932 110.9 49.9 -65.1 -43.0 -6.2 21.8 8.7 80 80 A D H X S+ 0 0 50 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.881 108.6 53.1 -62.4 -39.2 -3.3 23.8 7.3 81 81 A T H X S+ 0 0 0 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.880 110.1 47.0 -63.1 -44.3 -1.9 24.3 10.8 82 82 A L H X S+ 0 0 35 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.927 113.1 49.1 -66.6 -43.8 -2.0 20.6 11.6 83 83 A K H X S+ 0 0 125 -4,-2.8 4,-2.4 1,-0.2 -2,-0.2 0.911 110.1 51.5 -63.7 -36.3 -0.3 19.8 8.2 84 84 A A H X S+ 0 0 12 -4,-2.7 4,-2.2 2,-0.2 16,-0.3 0.876 109.5 50.3 -64.4 -38.9 2.3 22.5 9.0 85 85 A L H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -2,-0.2 0.909 110.4 49.2 -64.1 -42.2 2.9 20.8 12.4 86 86 A S H X S+ 0 0 46 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.888 109.6 52.5 -62.4 -39.3 3.3 17.4 10.7 87 87 A A H < S+ 0 0 57 -4,-2.4 4,-0.3 1,-0.2 -2,-0.2 0.900 109.1 49.5 -65.3 -37.9 5.8 19.1 8.2 88 88 A A H >< S+ 0 0 0 -4,-2.2 3,-1.0 8,-0.3 -1,-0.2 0.847 106.3 56.4 -69.2 -35.3 7.8 20.4 11.1 89 89 A K H 3< S+ 0 0 24 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.911 109.7 47.0 -53.8 -45.0 7.8 16.9 12.8 90 90 A G T 3< S+ 0 0 32 -4,-1.8 2,-0.3 -5,-0.1 -1,-0.2 0.466 109.6 68.5 -80.6 -2.2 9.4 15.6 9.6 91 91 A S < - 0 0 29 -3,-1.0 -66,-0.0 -4,-0.3 6,-0.0 -0.851 54.1-159.1-125.0 152.5 12.0 18.4 9.3 92 92 A K + 0 0 88 -2,-0.3 -63,-0.1 -64,-0.0 -64,-0.1 0.497 69.4 105.3 -93.0 -11.3 15.2 19.8 11.0 93 93 A D >> - 0 0 85 1,-0.1 3,-2.4 -65,-0.0 4,-0.8 -0.627 64.5-148.7 -79.6 117.4 14.7 23.2 9.4 94 94 A P H 3> S+ 0 0 36 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.728 93.7 74.6 -59.4 -17.8 13.4 25.9 11.9 95 95 A A H 3> S+ 0 0 58 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.878 93.6 52.2 -62.8 -30.6 11.6 27.6 9.0 96 96 A T H <> S+ 0 0 35 -3,-2.4 4,-1.9 2,-0.2 -8,-0.3 0.908 108.9 48.9 -70.6 -39.1 9.1 24.7 9.2 97 97 A G H X S+ 0 0 0 -4,-0.8 4,-2.3 1,-0.2 -75,-0.2 0.903 111.1 52.1 -63.0 -40.3 8.6 25.3 13.0 98 98 A Q H X S+ 0 0 64 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.908 105.9 53.0 -61.0 -46.0 8.1 29.0 12.2 99 99 A K H X S+ 0 0 102 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.907 107.3 51.6 -58.6 -42.8 5.4 28.3 9.6 100 100 A A H X S+ 0 0 0 -4,-1.9 4,-2.5 -16,-0.3 -1,-0.2 0.942 110.9 49.3 -59.3 -46.6 3.5 26.2 12.2 101 101 A L H X S+ 0 0 22 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.894 105.9 56.7 -55.4 -44.9 3.7 29.3 14.5 102 102 A D H X S+ 0 0 57 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.941 110.5 44.1 -54.0 -52.4 2.5 31.6 11.7 103 103 A Y H X S+ 0 0 61 -4,-2.3 4,-1.9 1,-0.2 3,-0.3 0.918 111.7 52.5 -59.0 -44.7 -0.6 29.5 11.4 104 104 A I H X S+ 0 0 4 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.896 105.1 56.4 -59.2 -39.9 -1.1 29.2 15.1 105 105 A A H X S+ 0 0 61 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.848 106.0 51.4 -59.3 -36.4 -0.9 33.1 15.4 106 106 A Q H X S+ 0 0 98 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.899 110.9 46.3 -66.9 -41.6 -3.8 33.3 12.9 107 107 A I H X S+ 0 0 2 -4,-1.9 4,-3.0 2,-0.2 -2,-0.2 0.911 110.7 54.0 -63.3 -41.5 -5.9 30.9 14.9 108 108 A D H X S+ 0 0 46 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.885 106.5 52.8 -64.5 -36.5 -5.0 32.9 18.1 109 109 A K H X S+ 0 0 141 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.934 112.7 42.9 -64.8 -48.1 -6.2 36.1 16.4 110 110 A I H X S+ 0 0 12 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.948 111.1 58.1 -58.2 -48.1 -9.6 34.6 15.5 111 111 A F H X S+ 0 0 0 -4,-3.0 4,-0.9 1,-0.2 3,-0.3 0.918 106.7 45.3 -49.5 -56.1 -9.8 33.0 19.0 112 112 A W H X S+ 0 0 113 -4,-2.2 4,-0.5 1,-0.2 3,-0.4 0.838 107.8 57.8 -68.1 -27.4 -9.5 36.3 20.9 113 113 A E H >X S+ 0 0 68 -4,-1.5 3,-1.5 1,-0.2 4,-1.4 0.932 104.8 51.6 -62.3 -42.5 -12.0 38.0 18.6 114 114 A T H 3< S+ 0 0 13 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.667 101.6 62.1 -68.2 -17.7 -14.6 35.3 19.5 115 115 A K H 3< S+ 0 0 94 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.624 105.9 47.4 -80.3 -14.8 -13.9 36.1 23.2 116 116 A K H << 0 0 174 -3,-1.5 -2,-0.2 -4,-0.5 -1,-0.1 0.829 360.0 360.0 -86.9 -40.8 -15.1 39.7 22.6 117 117 A A < 0 0 121 -4,-1.4 -3,-0.2 0, 0.0 -2,-0.1 0.239 360.0 360.0-157.6 360.0 -18.4 39.0 20.8 118 !* 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 0.0 119 1 B H 0 0 70 0, 0.0 8,-0.1 0, 0.0 61,-0.1 0.000 360.0 360.0 360.0 4.7 -11.2 -4.0 24.9 120 2 B C - 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