==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXYGEN TRANSPORT 11-NOV-09 2WY4 . COMPND 2 MOLECULE: SINGLE DOMAIN HAEMOGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMPYLOBACTER JEJUNI; . AUTHOR V.V.BARYNIN,S.E.SEDELNIKOVA,M.SHEPHERD,G.WU,R.K.POOLE, . 139 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8398.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 84.9 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 . 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 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 15.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 93 66.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 1 0 0 0 0 0 0 0 1 0 1 1 0 0 0 0 0 0 0 0 0 0 1 0 0 1 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 2 A T > 0 0 147 0, 0.0 4,-1.4 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -57.9 2.0 15.4 21.8 2 3 A K H > + 0 0 173 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.843 360.0 50.8 -71.9 -42.1 2.5 18.5 19.4 3 4 A E H > S+ 0 0 165 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.925 111.8 49.4 -63.5 -43.8 6.3 18.6 19.5 4 5 A Q H > S+ 0 0 58 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.871 108.6 52.4 -62.7 -40.6 6.4 14.8 18.7 5 6 A I H X S+ 0 0 38 -4,-1.4 4,-2.4 1,-0.2 -1,-0.2 0.934 109.9 49.0 -59.9 -46.7 4.0 15.2 15.8 6 7 A Q H X S+ 0 0 105 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.879 107.0 54.9 -63.9 -38.1 6.1 18.0 14.3 7 8 A I H X S+ 0 0 27 -4,-2.0 4,-1.1 2,-0.2 -1,-0.2 0.938 108.7 48.7 -59.6 -46.2 9.3 15.9 14.7 8 9 A I H >X S+ 0 0 5 -4,-2.1 3,-0.8 1,-0.2 4,-0.6 0.944 112.4 47.9 -60.6 -44.9 7.6 13.1 12.7 9 10 A K H >< S+ 0 0 69 -4,-2.4 3,-1.4 1,-0.2 -1,-0.2 0.893 106.5 58.0 -59.7 -39.2 6.5 15.6 10.0 10 11 A D H 3< S+ 0 0 90 -4,-2.7 4,-0.5 1,-0.3 -1,-0.2 0.755 101.4 57.8 -62.2 -25.2 10.1 17.1 9.9 11 12 A C H S+ 0 0 72 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.863 109.8 55.5 -58.4 -34.7 11.7 15.2 3.7 14 15 A I H > S+ 0 0 73 -4,-0.5 4,-2.5 1,-0.2 -2,-0.2 0.913 111.6 43.4 -64.2 -41.0 14.5 13.1 5.2 15 16 A L H X S+ 0 0 9 -4,-2.2 4,-1.8 2,-0.2 5,-0.2 0.813 109.3 57.1 -73.7 -33.1 12.6 10.0 4.1 16 17 A Q H < S+ 0 0 137 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.884 116.4 37.5 -61.3 -37.0 11.8 11.6 0.7 17 18 A K H < S+ 0 0 161 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.848 139.8 6.5 -87.1 -37.6 15.5 12.0 0.1 18 19 A N H X S+ 0 0 68 -4,-2.5 4,-2.0 -5,-0.2 3,-0.4 0.136 83.8 121.1-136.3 22.6 17.1 9.0 1.7 19 20 A G H X S+ 0 0 3 -4,-1.8 4,-2.4 1,-0.2 5,-0.2 0.856 77.9 53.9 -57.1 -40.1 14.2 6.7 2.6 20 21 A E H > S+ 0 0 67 -5,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.854 106.5 52.7 -63.6 -34.7 15.5 3.9 0.4 21 22 A D H > S+ 0 0 72 -3,-0.4 4,-2.0 2,-0.2 -2,-0.2 0.910 109.1 49.9 -66.7 -40.0 18.8 4.1 2.1 22 23 A L H X S+ 0 0 6 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.928 113.7 44.9 -61.2 -45.7 17.1 3.8 5.5 23 24 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.2 0.847 106.8 57.8 -75.3 -29.3 15.1 0.8 4.4 24 25 A N H X S+ 0 0 69 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.945 110.6 45.7 -57.1 -44.3 18.1 -0.9 2.8 25 26 A E H X S+ 0 0 39 -4,-2.0 4,-2.6 1,-0.2 -2,-0.2 0.921 109.8 54.7 -65.2 -41.8 19.7 -0.6 6.3 26 27 A F H X S+ 0 0 5 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.931 110.1 45.1 -56.3 -49.8 16.5 -2.0 7.9 27 28 A Y H X S+ 0 0 9 -4,-2.7 4,-2.6 2,-0.2 5,-0.3 0.865 110.8 54.1 -67.5 -34.7 16.5 -5.1 5.7 28 29 A K H X S+ 0 0 150 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.956 113.8 42.4 -57.2 -50.7 20.2 -5.6 6.3 29 30 A I H X S+ 0 0 8 -4,-2.6 4,-2.7 2,-0.2 5,-0.3 0.949 116.9 46.6 -62.4 -49.2 19.7 -5.6 10.0 30 31 A M H X S+ 0 0 3 -4,-3.0 4,-2.6 1,-0.2 7,-0.2 0.919 112.9 47.0 -65.2 -43.6 16.6 -7.6 10.0 31 32 A F H < S+ 0 0 30 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.840 116.8 46.3 -68.2 -30.0 17.9 -10.4 7.6 32 33 A N H < S+ 0 0 120 -4,-1.8 -2,-0.2 -5,-0.3 -1,-0.2 0.891 122.8 32.0 -74.2 -42.8 21.1 -10.6 9.7 33 34 A D H < S+ 0 0 73 -4,-2.7 -2,-0.2 1,-0.2 -3,-0.2 0.744 133.7 29.0 -88.5 -27.9 19.5 -10.6 13.2 34 35 A Y >X + 0 0 71 -4,-2.6 3,-2.5 -5,-0.3 4,-0.5 -0.476 65.9 161.5-132.4 60.8 16.3 -12.5 12.2 35 36 A P G >4 + 0 0 73 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.790 66.7 75.7 -58.3 -24.2 17.3 -14.7 9.2 36 37 A E G 34 S+ 0 0 124 1,-0.3 4,-0.1 2,-0.1 -5,-0.1 0.749 93.4 51.6 -60.5 -24.6 14.2 -16.8 9.8 37 38 A V G X> S+ 0 0 8 -3,-2.5 3,-2.0 -7,-0.2 4,-0.6 0.708 86.0 87.9 -85.3 -16.3 12.0 -14.0 8.3 38 39 A K G X< S+ 0 0 96 -3,-1.3 3,-1.8 -4,-0.5 -1,-0.2 0.857 79.8 57.6 -53.4 -47.0 14.1 -13.7 5.1 39 40 A P G 34 S+ 0 0 110 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.649 93.7 69.3 -61.6 -14.5 12.3 -16.4 3.0 40 41 A M G <4 S+ 0 0 42 -3,-2.0 2,-0.2 -4,-0.1 -2,-0.2 0.818 96.1 67.6 -66.5 -30.1 9.0 -14.6 3.5 41 42 A F S << S- 0 0 53 -3,-1.8 2,-0.7 -4,-0.6 3,-0.1 -0.558 88.3-118.2 -93.7 153.3 10.4 -11.8 1.2 42 43 A N >> - 0 0 112 -2,-0.2 3,-0.9 1,-0.1 4,-0.8 -0.805 18.0-157.2 -89.3 113.6 11.1 -12.0 -2.4 43 44 A M H 3> S+ 0 0 66 -2,-0.7 4,-2.7 1,-0.3 3,-0.5 0.808 91.3 63.1 -63.4 -27.0 14.9 -11.4 -2.9 44 45 A E H 3> S+ 0 0 169 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.882 102.4 51.9 -60.6 -36.9 14.4 -10.3 -6.5 45 46 A K H <4 S+ 0 0 64 -3,-0.9 6,-2.7 2,-0.2 -1,-0.2 0.694 109.7 49.7 -74.2 -18.4 12.3 -7.4 -5.0 46 47 A Q H >< S+ 0 0 32 -4,-0.8 3,-1.0 -3,-0.5 -2,-0.2 0.903 111.1 47.7 -81.5 -47.3 15.2 -6.6 -2.7 47 48 A I H 3< S+ 0 0 149 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.1 0.895 111.0 50.4 -62.7 -36.5 17.8 -6.6 -5.4 48 49 A S T 3< S- 0 0 67 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.1 0.616 109.4-122.4 -75.7 -14.7 15.8 -4.4 -7.7 49 50 A G S <> S+ 0 0 6 -3,-1.0 4,-2.2 -4,-0.2 5,-0.2 0.354 79.6 119.7 86.9 -4.0 15.2 -1.8 -4.9 50 51 A E H > S+ 0 0 117 -6,-0.3 4,-2.2 2,-0.2 -4,-0.2 0.909 74.4 41.9 -64.2 -45.5 11.4 -2.2 -5.3 51 52 A Q H > S+ 0 0 39 -6,-2.7 4,-2.6 2,-0.2 5,-0.3 0.927 112.9 52.4 -72.0 -43.5 10.7 -3.5 -1.8 52 53 A P H > S+ 0 0 0 0, 0.0 4,-2.1 0, 0.0 -2,-0.2 0.921 113.7 45.9 -52.6 -40.9 13.0 -1.0 -0.1 53 54 A K H X S+ 0 0 110 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.919 110.6 52.8 -69.4 -39.6 11.3 1.7 -2.0 54 55 A A H X S+ 0 0 39 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.909 111.1 46.1 -62.0 -44.1 7.8 0.3 -1.1 55 56 A L H X S+ 0 0 37 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.920 111.2 52.1 -64.7 -44.1 8.6 0.2 2.6 56 57 A A H X S+ 0 0 6 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.904 110.0 49.6 -57.8 -42.7 10.0 3.7 2.5 57 58 A M H X S+ 0 0 127 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.855 109.5 50.9 -66.4 -34.4 6.9 4.9 0.8 58 59 A A H X S+ 0 0 12 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.855 109.7 50.1 -69.2 -38.2 4.7 3.2 3.4 59 60 A I H X S+ 0 0 17 -4,-2.3 4,-2.8 2,-0.2 -2,-0.2 0.911 111.0 50.0 -64.4 -43.9 6.7 4.8 6.2 60 61 A L H X S+ 0 0 17 -4,-2.5 4,-2.7 1,-0.2 -2,-0.2 0.897 108.2 53.4 -56.5 -44.3 6.2 8.2 4.5 61 62 A M H X S+ 0 0 57 -4,-2.1 4,-1.2 1,-0.2 -1,-0.2 0.893 111.8 45.0 -58.3 -41.2 2.5 7.5 4.2 62 63 A A H < S+ 0 0 1 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.918 112.1 50.5 -70.8 -44.2 2.4 6.9 7.9 63 64 A A H >< S+ 0 0 0 -4,-2.8 3,-1.3 1,-0.2 4,-0.2 0.924 109.3 52.2 -60.6 -42.3 4.5 9.9 8.9 64 65 A K H 3< S+ 0 0 111 -4,-2.7 3,-0.2 1,-0.3 -1,-0.2 0.849 120.0 34.9 -59.7 -32.7 2.2 12.1 6.7 65 66 A N T >< S+ 0 0 29 -4,-1.2 3,-1.8 -5,-0.2 -1,-0.3 0.098 77.9 124.1-110.0 22.5 -0.8 10.8 8.5 66 67 A I T < S+ 0 0 9 -3,-1.3 3,-0.4 1,-0.3 -1,-0.2 0.798 72.9 54.2 -60.7 -27.5 0.6 10.4 11.9 67 68 A E T 3 S+ 0 0 142 1,-0.3 -1,-0.3 -3,-0.2 2,-0.2 0.697 128.1 16.6 -75.5 -21.2 -2.1 12.6 13.6 68 69 A N X - 0 0 76 -3,-1.8 3,-2.1 1,-0.1 -1,-0.3 -0.606 62.9-176.2-155.0 89.5 -4.9 10.5 12.0 69 70 A L G > S+ 0 0 20 -3,-0.4 3,-2.0 1,-0.3 -3,-0.1 0.663 77.1 79.8 -65.9 -15.5 -3.9 7.0 10.7 70 71 A E G > S+ 0 0 95 1,-0.3 3,-1.6 2,-0.2 -1,-0.3 0.751 80.0 70.9 -58.9 -26.7 -7.4 6.5 9.4 71 72 A N G < S+ 0 0 106 -3,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.344 99.1 46.8 -76.4 6.8 -6.4 8.7 6.5 72 73 A M G X> S+ 0 0 1 -3,-2.0 4,-2.7 -7,-0.1 3,-0.7 0.198 78.8 110.5-122.6 17.1 -4.2 5.9 5.3 73 74 A R H <> S+ 0 0 89 -3,-1.6 4,-2.8 1,-0.3 5,-0.2 0.894 75.3 51.8 -57.5 -49.1 -6.8 3.1 5.7 74 75 A S H 34 S+ 0 0 88 -4,-0.3 4,-0.5 1,-0.2 -1,-0.3 0.834 114.4 46.7 -62.1 -23.5 -7.3 2.5 1.9 75 76 A F H X> S+ 0 0 68 -3,-0.7 4,-1.6 2,-0.2 3,-1.1 0.946 113.4 45.0 -78.2 -52.1 -3.5 2.1 1.6 76 77 A V H 3X S+ 0 0 0 -4,-2.7 4,-3.0 1,-0.3 5,-0.2 0.877 102.9 66.4 -64.4 -35.2 -3.0 -0.2 4.6 77 78 A D H 3< S+ 0 0 60 -4,-2.8 4,-0.5 -5,-0.3 -1,-0.3 0.801 105.4 44.7 -49.9 -37.7 -5.9 -2.3 3.6 78 79 A K H X> S+ 0 0 120 -3,-1.1 4,-0.9 -4,-0.5 3,-0.8 0.872 110.4 50.8 -80.2 -39.6 -4.0 -3.4 0.6 79 80 A V H >X S+ 0 0 34 -4,-1.6 4,-2.1 1,-0.2 3,-0.7 0.910 101.8 65.3 -63.5 -37.5 -0.7 -4.0 2.3 80 81 A A H 3X S+ 0 0 0 -4,-3.0 4,-2.9 1,-0.3 5,-0.3 0.776 93.3 60.9 -54.1 -31.4 -2.6 -6.2 4.8 81 82 A I H <> S+ 0 0 86 -3,-0.8 4,-2.4 -4,-0.5 -1,-0.3 0.932 106.9 44.4 -65.2 -42.2 -3.4 -8.6 2.0 82 83 A T H S+ 0 0 49 -4,-2.1 5,-2.7 2,-0.2 4,-0.5 0.928 113.9 44.5 -60.0 -50.7 1.1 -9.5 5.1 84 85 A V H ><5S+ 0 0 29 -4,-2.9 3,-1.4 1,-0.2 -1,-0.2 0.938 111.8 53.5 -62.4 -44.7 -1.7 -11.9 5.9 85 86 A N H 3<5S+ 0 0 128 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.825 112.0 45.8 -58.6 -30.1 -1.0 -14.1 2.8 86 87 A L T 3<5S- 0 0 87 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.430 119.4-107.4 -95.5 4.0 2.6 -14.4 3.9 87 88 A G T < 5 + 0 0 26 -3,-1.4 2,-0.4 -4,-0.5 -3,-0.2 0.779 52.0 171.8 77.5 29.7 1.9 -15.2 7.6 88 89 A V < - 0 0 20 -5,-2.7 2,-0.3 -6,-0.2 -1,-0.2 -0.580 17.2-163.2 -67.5 125.6 2.9 -11.9 9.1 89 90 A K >> - 0 0 92 -2,-0.4 3,-2.4 1,-0.1 4,-0.7 -0.720 34.5-106.6-111.3 163.5 1.8 -12.1 12.8 90 91 A E G >4 S+ 0 0 87 1,-0.3 3,-1.2 -2,-0.3 -1,-0.1 0.871 119.0 60.9 -49.2 -41.4 1.3 -9.6 15.5 91 92 A E G 34 S+ 0 0 133 1,-0.3 4,-0.3 2,-0.2 -1,-0.3 0.557 93.9 62.3 -70.9 -9.3 4.4 -10.9 17.1 92 93 A H G X> S+ 0 0 51 -3,-2.4 4,-1.9 1,-0.2 3,-0.8 0.740 86.2 76.2 -83.2 -22.4 6.6 -10.0 14.1 93 94 A Y H S+ 0 0 91 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.798 107.9 53.8 -62.0 -27.0 8.2 -5.8 17.6 95 96 A I H <> S+ 0 0 31 -3,-0.8 4,-2.4 -4,-0.3 5,-0.2 0.949 109.9 45.7 -67.9 -51.2 11.0 -7.4 15.4 96 97 A V H X S+ 0 0 41 -4,-1.9 4,-3.0 1,-0.2 5,-0.2 0.917 112.5 51.9 -56.6 -43.1 10.4 -4.8 12.6 97 98 A G H X S+ 0 0 9 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.913 109.3 48.6 -63.2 -43.3 10.3 -2.0 15.2 98 99 A A H X S+ 0 0 52 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.938 115.9 43.7 -62.3 -42.0 13.6 -3.0 16.7 99 100 A C H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.892 114.3 49.6 -73.3 -37.8 15.3 -3.2 13.3 100 101 A L H X S+ 0 0 8 -4,-3.0 4,-2.4 -5,-0.2 -1,-0.2 0.933 110.9 48.9 -65.8 -45.2 13.7 -0.0 12.0 101 102 A L H X S+ 0 0 31 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.898 111.9 49.9 -62.8 -36.9 14.7 2.0 15.1 102 103 A K H X S+ 0 0 87 -4,-1.9 4,-2.7 -5,-0.2 -1,-0.2 0.912 108.9 51.5 -65.8 -41.6 18.2 0.7 14.9 103 104 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 2,-0.2 5,-0.4 0.903 110.4 50.2 -60.0 -40.9 18.3 1.6 11.2 104 105 A I H X>S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 5,-0.9 0.932 110.7 47.9 -63.7 -46.9 17.2 5.1 12.1 105 106 A K H X5S+ 0 0 98 -4,-2.5 4,-0.8 1,-0.2 -2,-0.2 0.928 114.8 47.7 -58.1 -44.7 19.8 5.4 14.8 106 107 A N H <5S+ 0 0 82 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.911 125.0 24.5 -64.6 -46.8 22.5 4.2 12.4 107 108 A L H <5S+ 0 0 80 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.834 130.1 35.0 -94.8 -37.6 21.7 6.3 9.4 108 109 A L H <5S- 0 0 49 -4,-2.3 -3,-0.2 -5,-0.4 -2,-0.1 0.690 79.8-155.8 -89.3 -21.0 19.9 9.5 10.8 109 110 A N << - 0 0 125 -5,-0.9 -4,-0.2 -4,-0.8 -3,-0.1 0.916 30.7-175.2 42.2 56.0 22.0 9.6 14.0 110 111 A P - 0 0 20 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.196 26.0 -99.3 -77.7 170.2 19.1 11.6 15.5 111 112 A D > - 0 0 98 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.263 42.4 -99.6 -78.9 173.1 18.7 13.2 18.9 112 113 A E H > S+ 0 0 137 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.872 122.1 57.0 -67.4 -36.0 16.9 11.5 21.7 113 114 A A H > S+ 0 0 53 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 109.5 46.4 -60.9 -39.5 13.7 13.4 21.2 114 115 A T H > S+ 0 0 22 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.928 112.5 49.0 -69.1 -44.4 13.6 12.2 17.5 115 116 A L H X S+ 0 0 22 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.933 112.8 48.2 -58.1 -47.3 14.3 8.6 18.5 116 117 A K H X S+ 0 0 112 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.916 108.7 54.2 -58.3 -41.4 11.6 8.8 21.2 117 118 A A H X S+ 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