==== 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 OXYGEN STORAGE/TRANSPORT PROTEIN 11-MAR-09 3GKT . COMPND 2 MOLECULE: NEUROGLOBIN; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR T.MOSCHETTI,U.MUELLER,J.SCHULTZE,M.BRUNORI,B.VALLONE . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 123 83.1 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 . 2 1.4 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 . 1 0.7 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 . 27 18.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 1 0 0 0 0 0 0 0 1 1 1 0 1 0 2 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 . 1 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 3 A R 0 0 136 0, 0.0 4,-0.4 0, 0.0 77,-0.0 0.000 360.0 360.0 360.0 147.7 27.7 28.9 43.2 2 4 A P >> + 0 0 106 0, 0.0 4,-1.4 0, 0.0 3,-0.6 0.920 360.0 45.3 -79.5 -50.7 26.0 27.4 40.2 3 5 A E H 3> S+ 0 0 54 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.763 103.5 63.9 -67.2 -30.8 23.8 30.4 39.3 4 6 A S H 3> S+ 0 0 1 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.881 105.8 46.1 -58.9 -40.7 26.6 32.9 39.7 5 7 A E H <> S+ 0 0 87 -3,-0.6 4,-3.0 -4,-0.4 5,-0.3 0.846 108.1 56.4 -68.8 -38.2 28.4 31.2 36.8 6 8 A L H X S+ 0 0 52 -4,-1.4 4,-1.6 2,-0.2 -2,-0.2 0.889 112.2 42.7 -59.1 -40.9 25.1 31.2 34.8 7 9 A I H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.912 114.8 49.6 -70.1 -48.2 24.9 35.0 35.2 8 10 A R H X S+ 0 0 92 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.941 113.4 45.4 -57.0 -49.9 28.6 35.6 34.6 9 11 A Q H X S+ 0 0 138 -4,-3.0 4,-0.6 1,-0.2 -1,-0.2 0.881 115.6 46.0 -65.0 -39.0 28.6 33.5 31.4 10 12 A S H X S+ 0 0 9 -4,-1.6 4,-0.8 -5,-0.3 -1,-0.2 0.771 109.2 54.4 -78.4 -27.1 25.4 35.0 30.0 11 13 A W H X S+ 0 0 8 -4,-2.1 4,-3.3 1,-0.2 -1,-0.2 0.784 92.8 75.4 -71.8 -27.1 26.4 38.6 30.7 12 14 A R H X S+ 0 0 37 -4,-1.2 4,-0.5 1,-0.2 -2,-0.2 0.900 99.1 40.6 -56.0 -49.4 29.7 38.2 28.8 13 15 A V H >< S+ 0 0 74 -4,-0.6 3,-0.8 1,-0.2 4,-0.5 0.927 118.3 46.9 -66.7 -42.5 28.1 38.3 25.3 14 16 A V H >< S+ 0 0 0 -4,-0.8 3,-1.4 1,-0.2 7,-0.3 0.890 106.5 58.4 -65.2 -41.5 25.7 41.2 26.2 15 17 A S H 3< S+ 0 0 48 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.598 89.5 73.8 -69.7 -12.6 28.4 43.2 27.9 16 18 A R T << S+ 0 0 183 -3,-0.8 -1,-0.3 -4,-0.5 -2,-0.2 0.821 115.0 19.5 -67.9 -32.8 30.4 43.4 24.7 17 19 A S S <> S+ 0 0 33 -3,-1.4 4,-2.1 -4,-0.5 -1,-0.3 -0.586 72.7 166.7-137.5 76.5 27.9 45.8 23.3 18 20 A P H > S+ 0 0 36 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.816 76.1 51.7 -63.7 -35.6 26.0 47.4 26.1 19 21 A L H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.952 110.9 47.9 -68.8 -46.6 24.4 50.3 24.1 20 22 A E H > S+ 0 0 127 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.919 118.9 40.1 -52.9 -49.8 23.1 47.9 21.4 21 23 A H H X S+ 0 0 17 -4,-2.1 4,-1.9 -7,-0.3 -2,-0.2 0.908 113.5 53.9 -71.4 -42.4 21.6 45.6 24.0 22 24 A G H X S+ 0 0 0 -4,-3.0 4,-2.6 -5,-0.2 -2,-0.2 0.816 102.6 58.7 -57.8 -35.3 20.4 48.5 26.2 23 25 A T H X S+ 0 0 41 -4,-2.2 4,-2.6 2,-0.2 -1,-0.2 0.906 104.7 50.3 -64.1 -40.1 18.6 49.9 23.3 24 26 A V H X S+ 0 0 56 -4,-1.3 4,-2.4 2,-0.2 5,-0.2 0.928 109.6 51.7 -56.8 -50.5 16.6 46.6 23.0 25 27 A L H X S+ 0 0 2 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.941 114.6 41.1 -55.4 -50.1 15.8 46.8 26.7 26 28 A F H X S+ 0 0 12 -4,-2.6 4,-2.1 2,-0.2 5,-0.2 0.857 111.8 54.1 -71.0 -36.4 14.4 50.4 26.5 27 29 A A H X S+ 0 0 49 -4,-2.6 4,-1.4 2,-0.2 -1,-0.2 0.914 112.3 45.9 -56.2 -44.8 12.6 49.9 23.2 28 30 A R H X S+ 0 0 94 -4,-2.4 4,-1.8 -5,-0.2 -2,-0.2 0.917 109.4 56.7 -64.3 -41.4 10.8 47.0 24.9 29 31 A L H X S+ 0 0 6 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.899 109.0 43.8 -57.7 -46.6 10.2 49.1 28.1 30 32 A F H < S+ 0 0 4 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.794 109.5 57.4 -74.1 -26.4 8.3 51.9 26.2 31 33 A A H < S+ 0 0 75 -4,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.849 115.3 37.1 -68.8 -32.4 6.4 49.3 24.2 32 34 A L H < S+ 0 0 78 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.826 135.5 18.5 -84.6 -34.8 5.1 47.8 27.4 33 35 A E >< + 0 0 39 -4,-2.4 3,-1.9 -5,-0.2 4,-0.2 -0.639 61.7 173.8-139.9 76.8 4.6 51.1 29.5 34 36 A P G > S+ 0 0 86 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.726 72.3 77.6 -58.7 -19.9 4.5 54.2 27.2 35 37 A S G 3 S+ 0 0 90 1,-0.3 4,-0.1 2,-0.1 -5,-0.1 0.614 82.3 67.5 -68.7 -11.6 3.7 56.4 30.3 36 38 A L G X S+ 0 0 14 -3,-1.9 3,-1.6 1,-0.2 4,-0.3 0.703 78.5 83.1 -73.5 -22.2 7.4 56.2 31.3 37 39 A L G X S+ 0 0 12 -3,-1.6 3,-1.5 1,-0.3 10,-0.4 0.867 84.3 55.2 -53.1 -44.6 8.5 58.3 28.2 38 40 A P G 3 S+ 0 0 46 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.639 88.9 77.6 -67.7 -12.7 7.8 61.8 29.8 39 41 A L G < S+ 0 0 58 -3,-1.6 2,-1.0 1,-0.2 -2,-0.2 0.697 78.6 78.3 -71.9 -14.2 10.0 61.1 32.8 40 42 A F < + 0 0 31 -3,-1.5 2,-0.7 -4,-0.3 7,-0.4 -0.743 61.7 172.7 -95.4 90.4 13.1 61.7 30.6 41 43 A Q + 0 0 109 -2,-1.0 2,-0.4 5,-0.1 3,-0.2 -0.867 1.7 167.6-104.7 107.1 13.3 65.5 30.5 42 44 A Y B > S+A 45 0A 59 3,-0.9 3,-1.4 -2,-0.7 -2,-0.0 -0.962 72.0 4.8-118.7 138.7 16.5 66.8 28.8 43 45 A N T 3 S- 0 0 136 -2,-0.4 -1,-0.2 1,-0.2 3,-0.1 0.826 128.4 -67.6 54.9 35.3 16.8 70.4 27.8 44 46 A G T 3 S+ 0 0 83 1,-0.2 2,-0.3 -3,-0.2 -1,-0.2 0.617 108.3 116.3 67.8 16.0 13.4 71.1 29.4 45 47 A R B < -A 42 0A 103 -3,-1.4 -3,-0.9 -5,-0.0 2,-0.4 -0.841 59.0-133.9-121.3 154.1 11.5 69.0 26.8 46 48 A Q - 0 0 133 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.1 -0.855 28.0-119.1-101.8 133.9 9.4 65.8 26.7 47 49 A F - 0 0 31 -7,-0.4 -7,-0.1 -10,-0.4 -8,-0.0 -0.594 18.8-156.7 -65.7 132.4 10.0 63.1 24.0 48 50 A S S S+ 0 0 108 -2,-0.3 -1,-0.1 1,-0.2 -11,-0.1 0.901 72.8 17.2 -75.9 -45.7 6.8 62.7 22.0 49 51 A S S >> S- 0 0 42 1,-0.1 4,-1.0 -12,-0.1 3,-0.9 -0.877 80.1-110.2-127.8 159.6 7.4 59.2 20.7 50 52 A P H >> S+ 0 0 55 0, 0.0 4,-1.0 0, 0.0 3,-0.8 0.891 117.2 58.9 -58.7 -36.5 9.7 56.3 21.7 51 53 A E H 3> S+ 0 0 127 1,-0.2 4,-0.5 2,-0.2 3,-0.2 0.822 96.4 65.0 -63.3 -27.7 11.9 56.7 18.6 52 54 A D H X4 S+ 0 0 59 -3,-0.9 3,-1.5 1,-0.2 4,-0.4 0.916 96.5 56.2 -56.0 -41.7 12.5 60.4 19.7 53 55 A S H X< S+ 0 0 2 -4,-1.0 3,-1.5 -3,-0.8 -1,-0.2 0.873 98.7 60.4 -63.3 -34.4 14.4 59.0 22.8 54 56 A L H 3< S+ 0 0 66 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.648 100.7 55.0 -69.3 -13.5 16.8 57.0 20.6 55 57 A S T << S+ 0 0 97 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.453 87.9 97.1 -93.3 -2.4 18.0 60.3 18.9 56 58 A S <> - 0 0 9 -3,-1.5 4,-2.5 -4,-0.4 5,-0.2 -0.766 61.0-156.7 -93.7 118.5 19.0 61.9 22.2 57 59 A P H > S+ 0 0 85 0, 0.0 4,-2.6 0, 0.0 -1,-0.2 0.902 97.3 52.3 -61.0 -34.5 22.6 61.7 23.3 58 60 A E H > S+ 0 0 63 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.869 109.3 48.4 -65.8 -40.1 21.6 62.2 26.9 59 61 A F H > S+ 0 0 0 2,-0.2 4,-1.9 -6,-0.2 -1,-0.2 0.903 112.3 48.4 -64.6 -41.6 19.1 59.4 26.7 60 62 A L H X S+ 0 0 42 -4,-2.5 4,-2.1 1,-0.2 -2,-0.2 0.910 107.7 55.8 -65.9 -39.1 21.7 57.1 25.1 61 63 A D H X S+ 0 0 82 -4,-2.6 4,-2.1 -5,-0.2 -1,-0.2 0.898 105.2 53.0 -55.7 -41.5 24.1 58.1 27.9 62 64 A H H X S+ 0 0 31 -4,-1.7 4,-2.9 2,-0.2 -2,-0.2 0.896 103.3 56.8 -64.4 -39.7 21.5 56.9 30.4 63 65 A I H X S+ 0 0 0 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.947 108.2 47.5 -51.3 -49.6 21.3 53.5 28.6 64 66 A R H X S+ 0 0 128 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.892 110.7 52.4 -61.2 -37.9 25.1 53.1 29.2 65 67 A K H X S+ 0 0 131 -4,-2.1 4,-1.8 2,-0.2 -2,-0.2 0.944 109.3 49.2 -60.6 -46.0 24.6 54.2 32.9 66 68 A V H X S+ 0 0 30 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.906 111.7 48.7 -58.9 -46.5 21.9 51.5 33.3 67 69 A M H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.862 108.1 54.1 -65.7 -37.2 24.1 48.8 31.8 68 70 A L H X S+ 0 0 123 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.865 107.4 51.1 -64.1 -36.2 27.1 49.8 34.0 69 71 A V H X S+ 0 0 26 -4,-1.8 4,-1.8 2,-0.2 -2,-0.2 0.933 110.6 48.1 -66.8 -43.8 24.9 49.4 37.1 70 72 A I H X S+ 0 0 24 -4,-2.1 4,-2.2 1,-0.2 -2,-0.2 0.919 108.4 55.3 -60.5 -43.3 23.9 45.9 35.9 71 73 A D H X S+ 0 0 62 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.877 106.9 50.9 -53.4 -38.3 27.6 45.2 35.2 72 74 A A H X S+ 0 0 32 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.832 107.0 53.4 -71.1 -31.8 28.3 46.1 38.9 73 75 A A H < S+ 0 0 5 -4,-1.8 -2,-0.2 2,-0.2 6,-0.2 0.912 110.5 46.9 -65.3 -43.5 25.6 43.7 40.0 74 76 A V H >< S+ 0 0 9 -4,-2.2 3,-1.9 2,-0.2 4,-0.2 0.945 109.9 52.9 -61.0 -50.1 27.2 40.9 38.0 75 77 A T H 3< S+ 0 0 100 -4,-2.6 3,-0.3 1,-0.3 -2,-0.2 0.909 119.0 36.5 -51.6 -41.9 30.6 41.8 39.5 76 78 A N T >< S+ 0 0 49 -4,-1.9 3,-1.8 1,-0.2 -1,-0.3 0.026 79.2 126.2-100.2 29.8 29.1 41.5 43.0 77 79 A V T < S+ 0 0 22 -3,-1.9 3,-0.3 1,-0.3 -1,-0.2 0.776 71.6 53.9 -60.7 -29.4 26.7 38.6 42.2 78 80 A E T 3 S+ 0 0 87 -3,-0.3 -1,-0.3 1,-0.3 2,-0.1 0.576 126.8 16.0 -82.2 -12.5 28.1 36.5 45.2 79 81 A D X + 0 0 113 -3,-1.8 3,-0.7 -6,-0.2 -1,-0.3 -0.543 57.7 174.8-164.9 93.5 27.4 39.3 47.7 80 82 A L G > + 0 0 32 -3,-0.3 3,-1.4 1,-0.2 4,-0.4 0.473 65.7 90.9 -82.5 -5.0 25.1 42.2 46.8 81 83 A S G > S+ 0 0 85 1,-0.3 3,-1.8 2,-0.2 4,-0.4 0.886 79.0 61.0 -52.9 -43.4 25.4 43.7 50.3 82 84 A S G < S+ 0 0 76 -3,-0.7 -1,-0.3 1,-0.3 4,-0.2 0.627 106.7 45.1 -67.8 -13.6 28.3 45.8 49.3 83 85 A L G <> S+ 0 0 26 -3,-1.4 4,-2.5 -7,-0.1 -1,-0.3 0.426 84.8 99.7-101.3 -1.3 26.2 47.6 46.7 84 86 A E H <> S+ 0 0 70 -3,-1.8 4,-2.8 -4,-0.4 5,-0.2 0.875 82.2 46.1 -56.3 -45.8 23.2 48.2 49.0 85 87 A E H > S+ 0 0 127 -4,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.891 113.3 48.2 -67.3 -41.8 23.9 51.8 49.9 86 88 A Y H > S+ 0 0 125 -4,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.926 113.8 48.4 -64.4 -40.1 24.7 52.9 46.3 87 89 A L H X S+ 0 0 3 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.914 107.6 54.6 -72.2 -37.7 21.4 51.2 45.2 88 90 A T H X S+ 0 0 9 -4,-2.8 4,-2.0 -5,-0.2 -1,-0.2 0.914 110.6 45.6 -56.8 -45.6 19.3 52.8 47.9 89 91 A S H X S+ 0 0 76 -4,-1.9 4,-2.2 1,-0.2 -1,-0.2 0.858 108.8 55.8 -71.2 -33.4 20.5 56.2 46.9 90 92 A L H X S+ 0 0 35 -4,-2.0 4,-1.7 2,-0.2 -1,-0.2 0.838 107.5 51.5 -63.1 -33.2 19.9 55.4 43.2 91 93 A G H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 108.0 50.3 -68.0 -45.1 16.3 54.5 44.3 92 94 A R H X S+ 0 0 115 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.884 110.0 51.3 -55.0 -47.5 15.9 57.9 46.0 93 95 A K H X S+ 0 0 131 -4,-2.2 4,-1.5 2,-0.2 -1,-0.2 0.890 112.1 46.1 -56.7 -44.5 17.1 59.7 42.8 94 96 A H H X>S+ 0 0 34 -4,-1.7 5,-2.5 2,-0.2 4,-0.9 0.889 109.6 52.6 -73.6 -39.2 14.6 57.8 40.7 95 97 A R H ><5S+ 0 0 93 -4,-2.6 3,-1.0 3,-0.2 -2,-0.2 0.946 109.7 52.4 -54.9 -46.4 11.7 58.5 43.1 96 98 A A H 3<5S+ 0 0 86 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.808 106.8 50.6 -60.0 -36.0 12.8 62.2 42.8 97 99 A V H 3<5S- 0 0 66 -4,-1.5 -1,-0.3 -5,-0.1 -2,-0.2 0.596 126.9-101.1 -82.6 -8.9 12.6 62.1 39.0 98 100 A G T <<5 + 0 0 36 -3,-1.0 2,-0.3 -4,-0.9 -3,-0.2 0.550 68.8 146.7 108.3 10.3 9.1 60.6 39.3 99 101 A V < - 0 0 21 -5,-2.5 -1,-0.3 -60,-0.1 2,-0.3 -0.621 43.4-132.9 -78.8 132.9 9.5 56.8 38.7 100 102 A R >> - 0 0 187 -2,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.640 16.1-124.8 -82.3 142.2 7.0 54.7 40.6 101 103 A L T >4 S+ 0 0 64 -2,-0.3 3,-1.8 1,-0.3 4,-0.3 0.894 110.4 60.8 -55.6 -39.5 8.6 51.7 42.4 102 104 A S T >> S+ 0 0 85 1,-0.3 3,-1.6 2,-0.2 4,-0.6 0.803 90.0 69.6 -60.3 -29.6 6.2 49.3 40.6 103 105 A S H <> S+ 0 0 6 -3,-1.1 4,-1.7 1,-0.2 3,-0.4 0.760 84.5 72.0 -57.9 -23.4 7.6 50.5 37.2 104 106 A F H S+ 0 0 78 -3,-1.6 4,-2.1 -4,-0.3 -1,-0.2 0.900 103.7 49.3 -67.9 -40.1 8.9 45.3 37.5 106 108 A T H X S+ 0 0 25 -4,-0.6 4,-2.1 -3,-0.4 -2,-0.2 0.891 108.0 54.0 -66.6 -38.4 8.4 46.3 33.9 107 109 A V H X S+ 0 0 27 -4,-1.7 4,-2.4 2,-0.2 -1,-0.2 0.908 107.0 52.2 -59.7 -38.5 12.1 47.1 33.7 108 110 A G H X S+ 0 0 6 -4,-1.7 4,-2.4 1,-0.2 -2,-0.2 0.926 108.4 49.0 -62.9 -44.2 12.7 43.6 34.9 109 111 A E H X S+ 0 0 116 -4,-2.1 4,-1.9 1,-0.2 -1,-0.2 0.848 111.3 51.5 -63.9 -34.4 10.5 42.1 32.2 110 112 A S H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.881 109.4 48.8 -69.9 -40.0 12.4 44.3 29.7 111 113 A L H X S+ 0 0 3 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.930 113.0 47.2 -62.2 -48.2 15.8 43.0 30.9 112 114 A L H X S+ 0 0 15 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.865 110.9 53.0 -62.0 -35.7 14.7 39.4 30.7 113 115 A Y H X S+ 0 0 72 -4,-1.9 4,-2.7 -5,-0.2 -2,-0.2 0.945 109.1 48.8 -65.1 -46.0 13.2 40.0 27.2 114 116 A M H X S+ 0 0 0 -4,-2.4 4,-2.0 1,-0.2 -2,-0.2 0.897 112.8 47.0 -62.8 -43.7 16.6 41.4 26.1 115 117 A L H X S+ 0 0 0 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.915 111.1 51.9 -61.7 -48.1 18.5 38.5 27.5 116 118 A E H X S+ 0 0 107 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.938 112.5 45.9 -53.8 -49.2 16.1 36.0 25.9 117 119 A K H < S+ 0 0 128 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.824 117.8 42.5 -64.8 -37.5 16.4 37.6 22.5 118 120 A S H < S+ 0 0 44 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.893 120.5 39.3 -73.8 -44.5 20.3 37.8 22.6 119 121 A L H >< S+ 0 0 24 -4,-3.0 3,-2.4 1,-0.2 -2,-0.2 0.721 80.0 173.4 -82.9 -23.9 20.9 34.4 24.1 120 122 A G G >< S+ 0 0 38 -4,-2.0 3,-2.5 -5,-0.3 -1,-0.2 -0.241 74.4 8.0 52.3-123.3 18.3 32.4 22.1 121 123 A P G 3 S+ 0 0 127 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.704 126.6 66.1 -62.7 -17.8 18.6 28.7 22.8 122 124 A D G < S+ 0 0 116 -3,-2.4 2,-1.6 1,-0.2 -2,-0.2 0.471 73.7 94.6 -81.3 -3.5 21.2 29.5 25.5 123 125 A F < - 0 0 31 -3,-2.5 -1,-0.2 -7,-0.2 -3,-0.1 -0.581 64.7-177.6 -86.7 74.2 18.5 31.2 27.6 124 126 A T >> - 0 0 58 -2,-1.6 4,-2.3 1,-0.1 3,-0.9 -0.264 42.2-107.2 -73.6 159.0 17.8 28.1 29.7 125 127 A P H 3> S+ 0 0 109 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.879 124.1 55.0 -57.6 -30.3 15.0 28.1 32.4 126 128 A A H 3> S+ 0 0 46 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.823 106.1 52.2 -66.8 -29.6 17.8 28.1 35.0 127 129 A T H <> S+ 0 0 7 -3,-0.9 4,-2.1 2,-0.2 5,-0.2 0.925 109.1 48.8 -74.5 -43.1 19.3 31.2 33.3 128 130 A R H X S+ 0 0 80 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.944 112.9 48.0 -54.1 -50.7 15.9 33.0 33.5 129 131 A T H X S+ 0 0 73 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.864 110.0 52.1 -60.7 -42.8 15.5 32.0 37.2 130 132 A A H X S+ 0 0 3 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.925 112.9 43.8 -61.0 -46.5 19.1 33.2 38.0 131 133 A W H X S+ 0 0 2 -4,-2.1 4,-3.1 2,-0.2 5,-0.3 0.860 110.1 55.5 -69.5 -36.3 18.5 36.6 36.4 132 134 A S H X S+ 0 0 68 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.917 110.8 46.5 -60.3 -46.6 15.1 37.0 38.0 133 135 A R H X S+ 0 0 112 -4,-2.1 4,-1.6 2,-0.2 -2,-0.2 0.892 114.4 45.9 -60.3 -48.0 16.7 36.4 41.4 134 136 A L H X S+ 0 0 15 -4,-2.2 4,-1.9 2,-0.2 3,-0.3 0.949 115.6 44.9 -65.2 -47.8 19.6 38.9 40.8 135 137 A Y H X S+ 0 0 39 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.902 110.3 57.6 -62.9 -39.4 17.3 41.6 39.4 136 138 A G H X S+ 0 0 38 -4,-2.3 4,-1.9 -5,-0.3 -1,-0.2 0.868 107.4 46.5 -54.3 -40.6 14.9 41.0 42.3 137 139 A A H X S+ 0 0 39 -4,-1.6 4,-2.0 -3,-0.3 -1,-0.2 0.852 109.5 53.5 -76.6 -34.6 17.7 41.7 44.8 138 140 A V H X S+ 0 0 17 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.948 111.6 46.3 -59.2 -47.4 18.8 44.9 43.0 139 141 A V H X S+ 0 0 28 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.867 108.0 55.8 -69.6 -35.3 15.3 46.2 43.1 140 142 A Q H X S+ 0 0 101 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.2 0.932 110.1 46.5 -56.9 -48.3 14.9 45.2 46.8 141 143 A A H >< S+ 0 0 6 -4,-2.0 3,-1.0 1,-0.2 4,-0.3 0.941 114.3 47.4 -60.3 -47.2 18.0 47.4 47.5 142 144 A M H >< S+ 0 0 10 -4,-2.5 3,-2.0 1,-0.2 4,-0.2 0.829 99.0 69.2 -62.8 -32.7 16.7 50.2 45.4 143 145 A S H >< S+ 0 0 34 -4,-2.4 3,-1.6 1,-0.3 5,-0.3 0.745 84.0 71.5 -63.5 -24.5 13.2 50.0 47.0 144 146 A R T