==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME PROTEIN 25-MAR-99 1VRE . COMPND 2 MOLECULE: PROTEIN (GLOBIN, MONOMERIC COMPONENT M-IV); . SOURCE 2 ORGANISM_SCIENTIFIC: GLYCERA DIBRANCHIATA; . AUTHOR B.F.VOLKMAN,S.L.ALAM,J.D.SATTERLEE,J.L.MARKLEY . 147 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7526.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 74.8 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 15.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 54.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.0 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 1 0 0 0 0 0 0 0 1 0 2 1 0 0 1 0 0 1 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 G 0 0 111 0, 0.0 2,-0.3 0, 0.0 135,-0.1 0.000 360.0 360.0 360.0 -42.7 12.8 8.7 9.0 2 2 A L - 0 0 39 71,-0.1 2,-0.3 72,-0.0 3,-0.0 -0.859 360.0-147.7-128.9 165.4 14.6 6.5 6.5 3 3 A S > - 0 0 50 -2,-0.3 4,-3.3 1,-0.1 5,-0.3 -0.836 31.1-107.9-128.6 168.4 18.2 5.6 5.8 4 4 A A H > S+ 0 0 72 -2,-0.3 4,-2.0 1,-0.2 5,-0.2 0.921 120.9 51.5 -63.3 -40.5 20.4 4.7 2.7 5 5 A A H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.931 114.9 42.4 -63.3 -42.0 20.5 1.1 3.8 6 6 A Q H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.954 110.8 54.5 -70.3 -47.4 16.7 1.0 4.2 7 7 A R H X S+ 0 0 109 -4,-3.3 4,-1.7 1,-0.2 -1,-0.2 0.891 112.4 45.9 -54.0 -36.0 16.1 2.9 1.0 8 8 A Q H X S+ 0 0 127 -4,-2.0 4,-1.4 -5,-0.3 -1,-0.2 0.911 109.8 52.2 -74.6 -40.4 18.2 0.3 -0.7 9 9 A V H X S+ 0 0 29 -4,-2.1 4,-0.9 -5,-0.2 -2,-0.2 0.798 108.9 53.8 -66.1 -23.7 16.5 -2.6 1.0 10 10 A V H X S+ 0 0 0 -4,-2.2 4,-0.9 2,-0.2 3,-0.3 0.929 110.4 42.9 -76.7 -44.9 13.2 -1.1 -0.2 11 11 A A H X S+ 0 0 26 -4,-1.7 4,-0.9 -5,-0.2 -2,-0.2 0.702 112.6 56.6 -74.0 -16.0 14.2 -1.0 -3.8 12 12 A S H < S+ 0 0 46 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.760 109.6 43.2 -86.2 -24.2 15.7 -4.5 -3.5 13 13 A T H X S+ 0 0 6 -4,-0.9 4,-1.3 -3,-0.3 5,-0.3 0.589 111.9 54.6 -95.2 -11.0 12.4 -6.0 -2.2 14 14 A W H X S+ 0 0 19 -4,-0.9 4,-1.4 2,-0.2 -2,-0.2 0.781 99.7 58.3 -91.8 -28.7 10.2 -4.2 -4.8 15 15 A K H < S+ 0 0 134 -4,-0.9 -1,-0.2 -5,-0.2 -2,-0.1 0.673 115.6 38.2 -74.6 -12.7 12.2 -5.4 -7.9 16 16 A D H >4 S+ 0 0 94 -4,-0.2 3,-1.2 2,-0.1 4,-0.2 0.851 122.7 36.0-101.5 -55.1 11.4 -9.0 -6.9 17 17 A I H 3< S+ 0 0 2 -4,-1.3 6,-0.6 1,-0.3 8,-0.3 0.886 130.0 37.0 -67.5 -35.5 7.8 -8.9 -5.5 18 18 A A T 3< S+ 0 0 7 -4,-1.4 -1,-0.3 -5,-0.3 -2,-0.1 -0.055 82.5 127.9-105.6 33.7 6.8 -6.3 -8.1 19 19 A G S < S- 0 0 49 -3,-1.2 -1,-0.1 1,-0.1 -2,-0.1 0.957 96.9 -20.0 -51.9 -84.6 9.0 -7.8 -10.9 20 20 A S S S+ 0 0 121 -4,-0.2 -1,-0.1 1,-0.1 -2,-0.1 0.650 144.1 56.5-101.1 -18.8 6.4 -8.1 -13.7 21 21 A D S S- 0 0 30 -4,-0.2 -3,-0.1 1,-0.0 -2,-0.1 0.685 91.1-144.0 -85.5 -17.0 3.3 -8.0 -11.4 22 22 A N S S- 0 0 81 1,-0.2 -4,-0.3 -8,-0.1 45,-0.2 0.732 80.4 -38.8 62.4 17.0 4.3 -4.7 -9.9 23 23 A G S >> S+ 0 0 1 -6,-0.6 4,-1.1 40,-0.1 3,-0.9 0.735 98.1 140.1 102.9 29.7 2.9 -6.0 -6.7 24 24 A A H 3> S+ 0 0 28 -7,-0.3 4,-1.2 1,-0.3 2,-0.3 0.952 76.2 44.3 -70.9 -47.0 -0.2 -7.8 -8.1 25 25 A G H 34 S+ 0 0 17 -8,-0.3 -1,-0.3 1,-0.2 92,-0.1 -0.062 108.1 65.1 -87.9 38.2 0.2 -10.8 -5.7 26 26 A V H <> S+ 0 0 0 -3,-0.9 4,-0.6 -2,-0.3 -1,-0.2 0.641 107.2 30.4-124.0 -43.1 0.8 -8.5 -2.8 27 27 A G H X>S+ 0 0 0 -4,-1.1 4,-2.9 -3,-0.3 5,-0.7 0.812 114.2 61.4 -88.8 -32.0 -2.4 -6.5 -2.3 28 28 A K H X5S+ 0 0 88 -4,-1.2 4,-0.7 -5,-0.3 28,-0.2 0.896 112.9 38.1 -62.2 -35.6 -4.7 -9.3 -3.5 29 29 A E H >5S+ 0 0 37 -5,-0.2 4,-0.7 3,-0.1 -1,-0.2 0.730 124.2 42.7 -86.4 -21.1 -3.5 -11.5 -0.7 30 30 A C H X5S+ 0 0 3 -4,-0.6 4,-2.6 2,-0.2 5,-0.2 0.936 115.2 43.5 -88.0 -59.4 -3.4 -8.5 1.8 31 31 A F H X5S+ 0 0 9 -4,-2.9 4,-3.6 1,-0.2 5,-0.3 0.924 110.3 59.4 -53.7 -43.0 -6.6 -6.7 1.0 32 32 A T H X< + 0 0 58 -4,-2.1 3,-0.8 -5,-0.5 4,-0.5 -0.887 59.8 176.5-123.8 104.9 -12.7 -6.5 8.6 39 39 A H T 3 S+ 0 0 151 -2,-0.5 4,-0.4 1,-0.2 -1,-0.1 0.373 78.2 70.3 -86.0 8.2 -16.3 -6.7 7.3 40 40 A D T 3 S+ 0 0 71 2,-0.1 -1,-0.2 1,-0.1 4,-0.2 0.585 99.2 45.1 -98.5 -11.7 -16.6 -2.9 7.6 41 41 A M S <> S+ 0 0 4 -3,-0.8 4,-3.1 -6,-0.2 5,-0.3 0.564 92.5 80.8-105.8 -11.8 -14.2 -2.2 4.7 42 42 A A H >>S+ 0 0 9 -4,-0.5 4,-3.2 -7,-0.3 5,-2.1 0.992 98.1 40.7 -58.5 -60.3 -15.6 -4.7 2.2 43 43 A A H 45S+ 0 0 78 -4,-0.4 -1,-0.2 1,-0.2 -2,-0.1 0.843 114.7 57.2 -57.8 -28.2 -18.5 -2.5 1.1 44 44 A V H 45S+ 0 0 12 -4,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.955 112.1 37.9 -68.8 -47.8 -16.0 0.3 1.2 45 45 A F H <5S- 0 0 50 -4,-3.1 -2,-0.2 -3,-0.1 -1,-0.2 0.895 120.6-107.7 -71.2 -37.1 -13.6 -1.4 -1.3 46 46 A G T <5S+ 0 0 54 -4,-3.2 2,-0.3 -5,-0.3 -3,-0.2 0.693 76.7 117.5 114.8 34.2 -16.5 -2.8 -3.3 47 47 A F < - 0 0 26 -5,-2.1 -1,-0.3 -6,-0.2 3,-0.1 -0.815 58.2-142.9-125.9 168.6 -16.4 -6.5 -2.5 48 48 A S S S- 0 0 114 -2,-0.3 2,-0.3 1,-0.2 -5,-0.1 0.576 79.1 -32.6-105.9 -13.7 -18.8 -8.9 -0.8 49 49 A G S S- 0 0 13 -7,-0.1 3,-0.3 1,-0.0 -1,-0.2 -0.940 79.9 -67.2-176.8-163.0 -16.2 -11.0 1.0 50 50 A A S S+ 0 0 33 -2,-0.3 2,-1.2 1,-0.2 -17,-0.1 0.717 116.1 74.0 -83.5 -19.5 -12.6 -12.2 0.8 51 51 A S S S+ 0 0 121 -19,-0.1 -1,-0.2 4,-0.0 3,-0.1 -0.257 74.6 113.5 -87.8 52.1 -13.4 -14.5 -2.2 52 52 A D >> - 0 0 48 -2,-1.2 3,-0.8 -3,-0.3 4,-0.5 -0.981 61.6-148.3-127.1 133.8 -13.7 -11.6 -4.6 53 53 A P H >> S+ 0 0 108 0, 0.0 3,-0.9 0, 0.0 4,-0.9 0.816 94.1 75.0 -67.2 -29.0 -11.4 -10.9 -7.6 54 54 A G H >> S+ 0 0 16 1,-0.3 4,-2.0 2,-0.2 3,-1.7 0.898 85.4 65.6 -51.3 -38.3 -11.9 -7.2 -7.1 55 55 A V H <> S+ 0 0 0 -3,-0.8 4,-1.9 1,-0.3 5,-0.5 0.937 98.1 51.6 -51.2 -46.8 -9.6 -7.4 -4.1 56 56 A A H << S+ 0 0 28 -3,-0.9 4,-0.4 -4,-0.5 -1,-0.3 0.736 107.3 57.3 -64.2 -17.1 -6.7 -8.3 -6.5 57 57 A D H S+ 0 0 26 -5,-0.5 4,-1.9 -4,-0.4 -2,-0.2 0.975 114.2 43.2 -78.4 -60.5 -2.8 -4.5 -7.1 61 61 A K H X S+ 0 0 154 -4,-2.6 4,-1.2 1,-0.2 -2,-0.2 0.904 116.5 51.6 -52.4 -39.2 -3.5 -1.0 -8.3 62 62 A V H X S+ 0 0 50 -4,-3.6 4,-1.5 -5,-0.2 3,-0.5 0.960 102.0 58.3 -64.6 -48.3 -2.6 0.3 -4.8 63 63 A L H X S+ 0 0 1 -4,-1.6 4,-1.7 -5,-0.4 3,-0.2 0.918 98.9 61.4 -47.8 -44.7 0.7 -1.6 -4.8 64 64 A A H >X S+ 0 0 28 -4,-1.9 4,-2.4 1,-0.2 3,-1.1 0.948 99.1 54.1 -49.2 -52.7 1.7 0.3 -7.9 65 65 A Q H 3X S+ 0 0 39 -4,-1.2 4,-1.6 -3,-0.5 -1,-0.2 0.927 106.8 51.9 -49.8 -44.0 1.5 3.7 -6.0 66 66 A I H 3X S+ 0 0 9 -4,-1.5 4,-0.8 -3,-0.2 -1,-0.3 0.842 108.9 53.1 -63.2 -28.0 3.9 2.2 -3.5 67 67 A G H XX S+ 0 0 8 -4,-1.7 3,-1.4 -3,-1.1 4,-0.8 0.979 107.5 46.6 -71.4 -55.2 6.1 1.3 -6.4 68 68 A V H 3< S+ 0 0 73 -4,-2.4 3,-0.3 1,-0.3 -1,-0.2 0.812 114.9 51.0 -57.4 -24.5 6.2 4.9 -7.9 69 69 A A H >< S+ 0 0 1 -4,-1.6 3,-1.2 -5,-0.4 -1,-0.3 0.695 97.2 66.9 -86.1 -18.1 6.9 6.0 -4.3 70 70 A V H << S+ 0 0 19 -3,-1.4 3,-0.5 -4,-0.8 -1,-0.2 0.702 90.8 64.5 -75.1 -16.0 9.7 3.5 -3.9 71 71 A S T 3< S+ 0 0 87 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.1 0.331 113.0 31.8 -88.5 11.1 11.8 5.4 -6.5 72 72 A H < + 0 0 74 -3,-1.2 -1,-0.2 7,-0.1 6,-0.1 -0.219 64.2 140.2-161.7 61.4 11.9 8.5 -4.2 73 73 A L S S+ 0 0 4 -3,-0.5 -2,-0.1 1,-0.2 3,-0.1 0.924 87.0 37.6 -75.2 -42.9 11.9 7.6 -0.4 74 74 A G S S+ 0 0 37 1,-0.2 2,-1.3 -73,-0.0 -1,-0.2 0.797 108.6 70.3 -78.4 -26.6 14.4 10.3 0.5 75 75 A D >> + 0 0 97 1,-0.1 3,-0.6 2,-0.0 4,-0.6 -0.665 55.5 164.3 -92.6 87.7 12.9 12.8 -2.0 76 76 A E T 34 + 0 0 119 -2,-1.3 -1,-0.1 1,-0.2 -3,-0.1 -0.171 55.4 85.9 -95.0 43.3 9.5 13.6 -0.4 77 77 A G T 34 S+ 0 0 68 -2,-0.3 -1,-0.2 -5,-0.1 -2,-0.0 0.617 106.6 7.1-113.6 -21.4 9.0 16.6 -2.6 78 78 A K T X> S+ 0 0 147 -3,-0.6 3,-2.8 -6,-0.1 4,-1.3 0.639 122.7 56.4-126.0 -57.9 7.4 15.0 -5.6 79 79 A M H 3X S+ 0 0 7 -4,-0.6 4,-1.2 1,-0.3 -3,-0.1 0.816 110.8 53.5 -50.8 -24.6 6.6 11.3 -5.1 80 80 A V H 3> S+ 0 0 25 -5,-0.3 4,-2.1 2,-0.2 -1,-0.3 0.692 97.4 65.4 -84.1 -17.0 4.6 12.6 -2.1 81 81 A A H <> S+ 0 0 61 -3,-2.8 4,-1.2 2,-0.2 -2,-0.2 0.911 104.0 44.5 -71.7 -39.4 2.7 15.0 -4.4 82 82 A E H X S+ 0 0 99 -4,-1.3 4,-2.0 2,-0.2 3,-0.4 0.958 114.9 47.4 -69.9 -48.2 1.0 12.1 -6.2 83 83 A M H X S+ 0 0 5 -4,-1.2 4,-1.7 1,-0.2 -2,-0.2 0.952 107.1 57.0 -58.7 -46.8 0.2 10.2 -3.1 84 84 A K H X S+ 0 0 102 -4,-2.1 4,-1.3 1,-0.2 -1,-0.2 0.882 106.3 52.0 -52.9 -34.8 -1.2 13.3 -1.4 85 85 A A H X S+ 0 0 26 -4,-1.2 4,-2.2 -3,-0.4 -1,-0.2 0.932 99.4 61.5 -69.3 -43.0 -3.6 13.5 -4.4 86 86 A V H X S+ 0 0 25 -4,-2.0 4,-2.6 1,-0.2 5,-0.2 0.909 100.6 55.9 -51.0 -40.1 -4.8 9.9 -3.9 87 87 A G H X S+ 0 0 0 -4,-1.7 4,-1.0 1,-0.2 59,-0.3 0.973 104.7 50.9 -58.0 -50.5 -6.0 10.9 -0.5 88 88 A V H >< S+ 0 0 58 -4,-1.3 3,-0.6 1,-0.2 -1,-0.2 0.893 109.3 52.9 -54.6 -35.9 -8.2 13.7 -2.1 89 89 A R H >< S+ 0 0 150 -4,-2.2 3,-2.0 1,-0.2 -1,-0.2 0.948 104.8 52.7 -66.1 -45.0 -9.5 11.0 -4.4 90 90 A H H >< S+ 0 0 38 -4,-2.6 3,-0.7 1,-0.3 8,-0.4 0.672 93.0 77.3 -64.7 -12.2 -10.4 8.7 -1.5 91 91 A K T << S+ 0 0 96 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.620 109.6 23.3 -74.3 -8.5 -12.4 11.8 -0.2 92 92 A G T < S+ 0 0 50 -3,-2.0 -1,-0.3 -4,-0.2 -2,-0.1 -0.255 86.2 142.1-152.0 57.7 -15.1 11.0 -2.7 93 93 A Y < - 0 0 81 -3,-0.7 -3,-0.1 1,-0.1 5,-0.0 -0.127 69.7 -87.4 -88.3-169.7 -15.1 7.4 -3.8 94 94 A G S S+ 0 0 86 1,-0.2 -1,-0.1 -50,-0.1 -49,-0.1 0.612 129.2 38.3 -77.5 -8.8 -18.1 5.1 -4.4 95 95 A N S S- 0 0 18 -51,-0.2 -1,-0.2 -50,-0.0 -50,-0.1 0.659 81.9-156.7-112.2 -23.8 -18.3 4.2 -0.7 96 96 A K + 0 0 147 1,-0.1 -52,-0.1 -52,-0.1 -2,-0.1 0.831 68.0 104.5 51.3 28.4 -17.4 7.5 0.9 97 97 A H + 0 0 112 -53,-0.1 2,-0.2 -54,-0.1 -1,-0.1 -0.136 42.6 134.6-129.3 38.4 -16.4 5.4 3.9 98 98 A I + 0 0 31 -8,-0.4 2,-0.3 -54,-0.1 -57,-0.0 -0.559 27.4 178.9 -87.7 154.6 -12.6 5.6 3.6 99 99 A K > - 0 0 70 -2,-0.2 3,-0.6 1,-0.1 4,-0.5 -0.998 38.1-133.9-153.9 149.8 -10.3 6.2 6.7 100 100 A A T 3> S+ 0 0 31 -2,-0.3 4,-1.1 1,-0.2 42,-0.1 0.609 98.7 78.2 -80.2 -8.8 -6.6 6.5 7.5 101 101 A E T 34 S+ 0 0 105 1,-0.2 -1,-0.2 2,-0.2 5,-0.1 0.849 95.0 46.9 -68.6 -30.2 -7.2 4.2 10.5 102 102 A Y T <> S+ 0 0 44 -3,-0.6 4,-3.0 2,-0.1 5,-0.3 0.734 100.5 71.2 -82.5 -21.2 -7.3 1.2 8.2 103 103 A F H > S+ 0 0 39 -4,-0.5 4,-2.7 2,-0.2 5,-0.3 0.994 98.9 42.3 -57.7 -68.8 -4.1 2.4 6.4 104 104 A E H X S+ 0 0 155 -4,-1.1 4,-2.9 2,-0.2 3,-0.3 0.932 121.3 41.8 -43.6 -60.2 -1.5 1.7 9.1 105 105 A P H > S+ 0 0 52 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.952 118.0 45.8 -56.5 -50.6 -3.1 -1.6 10.1 106 106 A L H < S+ 0 0 17 -4,-3.0 4,-0.3 1,-0.2 -2,-0.2 0.764 112.9 54.7 -65.5 -19.7 -3.6 -2.6 6.5 107 107 A G H X S+ 0 0 17 -4,-2.7 4,-1.3 -3,-0.3 3,-0.3 0.924 109.2 43.7 -80.0 -44.9 -0.1 -1.4 5.8 108 108 A A H >X S+ 0 0 67 -4,-2.9 4,-1.1 -5,-0.3 3,-0.5 0.957 113.6 50.4 -65.5 -47.1 1.6 -3.6 8.5 109 109 A S H 3X S+ 0 0 63 -4,-2.4 4,-0.6 -5,-0.3 -1,-0.2 0.732 104.4 63.2 -63.7 -16.8 -0.4 -6.7 7.5 110 110 A L H >> S+ 0 0 3 -4,-0.3 4,-1.8 -5,-0.3 3,-0.9 0.908 96.4 54.1 -75.4 -40.2 0.7 -5.9 3.9 111 111 A L H X S+ 0 0 0 -4,-1.8 3,-1.5 1,-0.3 4,-1.4 0.883 88.0 66.9 -55.6 -35.8 4.8 -9.6 0.6 115 115 A E H 3< S+ 0 0 71 -4,-0.9 -1,-0.3 1,-0.3 6,-0.2 0.794 84.3 75.3 -57.7 -22.5 6.9 -12.5 1.9 116 116 A H H <4 S+ 0 0 99 -3,-2.1 3,-0.5 2,-0.2 -1,-0.3 0.920 103.9 35.6 -57.0 -40.6 4.4 -14.7 -0.0 117 117 A R H << S+ 0 0 121 -3,-1.5 2,-0.4 -4,-0.5 -2,-0.2 0.979 132.1 27.7 -77.6 -62.2 6.2 -13.7 -3.2 118 118 A I S >X S+ 0 0 13 -4,-1.4 4,-2.1 -105,-0.1 3,-1.9 -0.149 85.7 172.4 -91.7 43.3 9.8 -13.4 -2.0 119 119 A G T 34 S+ 0 0 55 -3,-0.5 -3,-0.1 -2,-0.4 4,-0.1 -0.290 72.6 16.9 -53.0 124.5 9.2 -16.0 0.7 120 120 A G T 34 S+ 0 0 85 2,-0.2 -1,-0.3 1,-0.0 -2,-0.1 -0.100 121.0 65.3 101.1 -37.1 12.7 -16.7 2.2 121 121 A K T <4 S+ 0 0 156 -3,-1.9 2,-1.9 -6,-0.2 -2,-0.2 0.752 76.1 91.0 -89.1 -24.5 14.2 -13.6 0.7 122 122 A M < + 0 0 19 -4,-2.1 -2,-0.2 -7,-0.2 -1,-0.1 -0.481 62.9 173.2 -72.1 86.9 12.1 -11.2 2.8 123 123 A N > - 0 0 80 -2,-1.9 4,-2.0 1,-0.1 5,-0.3 -0.115 50.7 -85.8 -83.7-172.0 14.5 -10.8 5.7 124 124 A A H > S+ 0 0 64 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.930 130.1 54.3 -64.1 -42.6 14.0 -8.4 8.7 125 125 A A H > S+ 0 0 41 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.853 107.0 54.1 -61.1 -30.0 15.7 -5.6 6.8 126 126 A A H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.3 0.966 114.8 36.6 -69.9 -50.3 13.2 -6.2 4.0 127 127 A K H X S+ 0 0 104 -4,-2.0 4,-1.5 2,-0.2 -2,-0.2 0.832 122.1 48.2 -71.8 -28.4 10.1 -5.9 6.3 128 128 A D H X S+ 0 0 83 -4,-2.9 4,-1.7 -5,-0.3 5,-0.3 0.951 110.5 48.5 -76.5 -49.3 11.8 -3.1 8.3 129 129 A A H X S+ 0 0 1 -4,-2.9 4,-1.6 -5,-0.3 3,-0.3 0.941 119.5 39.8 -56.5 -45.3 13.0 -1.1 5.3 130 130 A W H X S+ 0 0 1 -4,-2.0 4,-3.3 -5,-0.3 5,-0.3 0.856 109.4 60.7 -73.5 -32.1 9.4 -1.3 3.8 131 131 A A H < S+ 0 0 52 -4,-1.5 4,-0.3 -5,-0.3 -1,-0.2 0.808 112.3 39.6 -65.0 -24.7 7.9 -0.8 7.3 132 132 A A H X S+ 0 0 21 -4,-1.7 4,-0.8 -3,-0.3 -1,-0.2 0.748 119.1 46.1 -94.2 -27.0 9.7 2.6 7.4 133 133 A A H >X S+ 0 0 0 -4,-1.6 4,-2.2 -5,-0.3 3,-0.6 0.914 106.3 56.4 -81.7 -44.5 9.0 3.5 3.7 134 134 A Y H 3X>S+ 0 0 16 -4,-3.3 4,-2.7 1,-0.2 5,-0.6 0.834 99.8 64.2 -57.5 -27.6 5.3 2.5 3.7 135 135 A A H 3>5S+ 0 0 51 -5,-0.3 4,-1.8 -4,-0.3 -1,-0.2 0.952 108.0 38.1 -62.5 -46.3 4.9 5.0 6.6 136 136 A D H X5S+ 0 0 28 -4,-2.7 3,-2.3 1,-0.2 4,-1.7 0.958 118.2 57.8 -67.5 -48.8 0.6 6.0 3.2 139 139 A G H 3<