==== 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 METAL BINDING PROTEIN 26-FEB-03 1OMV . COMPND 2 MOLECULE: RECOVERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR O.H.WEIERGRABER,J.GRANZIN . 188 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10016.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 66.5 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 . 6 3.2 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 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 47.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 1 0 0 2 2 1 1 2 2 0 1 0 0 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 . 1 0 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 ANTIPARALLEL 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 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 7 A G > 0 0 70 0, 0.0 3,-1.0 0, 0.0 25,-0.1 0.000 360.0 360.0 360.0 28.9 58.4 28.3 25.4 2 8 A A T > + 0 0 58 1,-0.2 3,-1.5 2,-0.1 2,-0.5 0.899 360.0 63.1 -43.8 -76.5 54.9 27.6 24.0 3 9 A L T 3> S+ 0 0 54 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.422 79.6 93.5 -40.0 -2.1 52.5 26.6 26.8 4 10 A S H <> S+ 0 0 3 -3,-1.0 4,-1.7 -2,-0.5 -1,-0.3 0.853 89.0 40.0 -65.4 -37.1 53.0 30.0 28.5 5 11 A K H <> S+ 0 0 120 -3,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.739 116.3 53.5 -80.7 -23.1 50.0 31.7 26.8 6 12 A E H > S+ 0 0 81 -4,-0.5 4,-2.1 2,-0.2 -2,-0.2 0.840 107.9 50.2 -74.8 -35.9 48.2 28.4 27.4 7 13 A I H X S+ 0 0 0 -4,-2.3 4,-0.7 1,-0.2 -2,-0.2 0.895 112.6 46.5 -66.7 -44.2 49.2 28.7 31.1 8 14 A L H X S+ 0 0 47 -4,-1.7 4,-3.7 3,-0.2 7,-0.2 0.794 111.4 51.6 -71.0 -31.2 47.9 32.2 31.3 9 15 A E H < S+ 0 0 128 -4,-1.5 -2,-0.2 2,-0.2 -3,-0.2 0.994 114.4 40.7 -67.8 -59.8 44.6 31.3 29.5 10 16 A E H < S+ 0 0 107 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.625 127.1 37.8 -61.8 -13.6 43.8 28.4 31.8 11 17 A L H >< S+ 0 0 3 -4,-0.7 3,-1.8 -5,-0.2 -1,-0.2 0.779 86.1 166.2-101.8 -43.4 45.0 30.6 34.7 12 18 A Q G >< S- 0 0 131 -4,-3.7 3,-1.8 1,-0.3 -1,-0.1 -0.378 74.5 -6.3 61.4-138.0 43.7 33.9 33.5 13 19 A L G 3 S+ 0 0 166 1,-0.3 -1,-0.3 -4,-0.1 -4,-0.1 0.537 128.0 75.4 -64.6 -5.7 43.7 36.6 36.1 14 20 A N G < S+ 0 0 25 -3,-1.8 -1,-0.3 -6,-0.2 -2,-0.2 0.725 71.2 104.0 -78.0 -25.2 44.8 33.8 38.6 15 21 A T < - 0 0 33 -3,-1.8 -7,-0.0 -7,-0.2 73,-0.0 -0.239 53.8-163.8 -57.7 147.1 48.3 33.8 37.2 16 22 A K S S+ 0 0 135 2,-0.1 2,-0.3 71,-0.0 -1,-0.1 0.088 71.7 65.3-116.4 17.3 51.0 35.5 39.4 17 23 A F S S- 0 0 70 -9,-0.0 2,-0.2 4,-0.0 -2,-0.1 -0.977 71.8-132.8-141.5 154.8 53.4 35.5 36.4 18 24 A T > - 0 0 66 -2,-0.3 4,-2.5 1,-0.1 5,-0.2 -0.486 38.0-103.0 -96.8 169.9 53.7 37.1 33.0 19 25 A E H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.851 123.5 50.0 -64.1 -36.3 54.7 35.2 29.8 20 26 A E H > S+ 0 0 168 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.893 113.7 46.7 -69.7 -35.9 58.2 36.6 29.9 21 27 A E H > S+ 0 0 93 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.853 109.4 52.5 -73.9 -35.9 58.5 35.5 33.6 22 28 A L H X S+ 0 0 0 -4,-2.5 4,-3.8 1,-0.2 -1,-0.2 0.906 107.5 53.8 -67.3 -38.1 57.0 32.1 32.9 23 29 A S H X S+ 0 0 41 -4,-1.9 4,-3.3 2,-0.2 -2,-0.2 0.909 108.2 48.7 -62.0 -41.7 59.6 31.6 30.2 24 30 A S H X S+ 0 0 84 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.957 114.6 44.9 -61.8 -50.2 62.4 32.4 32.6 25 31 A W H X S+ 0 0 56 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.950 113.3 52.1 -55.9 -48.7 61.0 30.0 35.1 26 32 A Y H X S+ 0 0 59 -4,-3.8 4,-2.7 1,-0.2 -2,-0.2 0.916 107.5 52.6 -54.3 -45.1 60.5 27.5 32.2 27 33 A Q H X S+ 0 0 107 -4,-3.3 4,-1.2 2,-0.2 -1,-0.2 0.899 112.2 43.1 -59.4 -42.6 64.1 28.0 31.3 28 34 A S H X S+ 0 0 70 -4,-2.4 4,-1.5 2,-0.2 3,-0.4 0.920 111.2 57.6 -69.2 -40.7 65.3 27.2 34.9 29 35 A F H >X S+ 0 0 11 -4,-3.3 4,-2.9 1,-0.2 3,-0.6 0.926 104.5 50.0 -52.1 -52.5 62.8 24.3 35.0 30 36 A L H 3< S+ 0 0 42 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.812 104.7 58.5 -59.9 -31.6 64.4 22.7 31.9 31 37 A K H 3< S+ 0 0 157 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.880 115.9 35.8 -65.3 -35.8 67.9 23.0 33.4 32 38 A E H << S+ 0 0 146 -4,-1.5 -2,-0.2 -3,-0.6 -1,-0.2 0.810 135.3 23.2 -87.4 -31.7 66.6 20.9 36.3 33 39 A C S >< S- 0 0 24 -4,-2.9 3,-3.3 -5,-0.2 -1,-0.3 -0.696 71.6-172.0-134.9 78.7 64.2 18.6 34.4 34 40 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.768 84.4 56.6 -41.2 -38.5 65.6 18.6 30.8 35 41 A S T 3 S- 0 0 89 2,-0.2 3,-0.1 1,-0.1 -5,-0.1 0.615 104.7-129.9 -73.6 -12.1 62.6 16.6 29.5 36 42 A G S < S+ 0 0 4 -3,-3.3 39,-0.6 1,-0.3 2,-0.4 0.655 75.4 108.5 71.7 11.0 60.2 19.3 30.9 37 43 A R E -A 74 0A 131 37,-0.2 2,-0.4 -4,-0.1 -1,-0.3 -0.964 53.2-158.8-121.5 141.6 58.2 16.5 32.6 38 44 A I E -A 73 0A 6 35,-2.5 35,-2.4 -2,-0.4 2,-0.1 -0.967 13.3-133.1-123.4 134.3 58.2 15.9 36.3 39 45 A T E > -A 72 0A 49 -2,-0.4 4,-2.4 33,-0.2 33,-0.2 -0.317 27.5-107.9 -79.3 166.6 57.2 12.6 38.0 40 46 A R H > S+ 0 0 45 31,-0.7 4,-3.2 1,-0.2 5,-0.2 0.902 121.2 53.4 -60.7 -40.8 54.8 12.2 40.9 41 47 A Q H > S+ 0 0 104 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.940 110.2 46.0 -59.6 -48.3 57.8 11.3 43.1 42 48 A E H > S+ 0 0 89 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.873 113.4 50.4 -63.5 -36.7 59.6 14.5 42.1 43 49 A F H >X S+ 0 0 0 -4,-2.4 4,-1.3 1,-0.2 3,-0.5 0.942 108.5 51.7 -66.8 -46.2 56.4 16.5 42.6 44 50 A Q H 3X S+ 0 0 9 -4,-3.2 4,-2.6 1,-0.2 3,-0.3 0.909 103.9 58.8 -54.8 -43.8 55.9 15.0 46.1 45 51 A T H 3X S+ 0 0 78 -4,-2.3 4,-2.8 1,-0.2 -1,-0.2 0.862 98.3 59.0 -55.9 -38.6 59.5 16.0 47.0 46 52 A I H < + 0 0 30 -4,-1.1 3,-1.7 -3,-0.3 -1,-0.2 -0.459 61.3 153.0-133.1 57.2 56.1 21.6 54.2 52 58 A P T 3 + 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.788 70.0 60.2 -55.8 -32.9 58.6 20.3 56.8 53 59 A E T 3 S+ 0 0 96 -3,-0.1 2,-0.2 71,-0.1 -3,-0.0 0.516 111.5 33.4 -77.5 -7.8 56.1 20.7 59.6 54 60 A A S < S- 0 0 26 -3,-1.7 70,-0.2 -6,-0.1 -3,-0.1 -0.530 84.5-101.4-131.0-163.3 53.6 18.3 58.1 55 61 A D + 0 0 81 68,-2.5 4,-0.3 -2,-0.2 3,-0.3 -0.802 39.4 167.7-131.3 87.2 53.2 15.1 56.0 56 62 A P > + 0 0 5 0, 0.0 4,-3.2 0, 0.0 5,-0.3 0.285 43.8 103.7 -84.8 6.5 52.4 16.2 52.4 57 63 A K H > S+ 0 0 95 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.973 87.5 38.5 -54.3 -61.4 52.9 12.9 50.6 58 64 A A H > S+ 0 0 27 -3,-0.3 4,-2.8 2,-0.2 -1,-0.2 0.911 118.4 50.7 -56.3 -44.0 49.2 12.0 50.2 59 65 A Y H > S+ 0 0 4 61,-0.4 4,-2.7 -4,-0.3 5,-0.2 0.956 112.3 45.3 -58.9 -54.3 48.3 15.7 49.5 60 66 A A H X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 5,-0.2 0.922 112.8 52.2 -57.8 -43.9 50.9 16.1 46.8 61 67 A Q H X S+ 0 0 60 -4,-3.0 4,-2.4 -5,-0.3 -1,-0.2 0.930 110.7 46.7 -59.7 -45.2 49.9 12.8 45.3 62 68 A H H X S+ 0 0 25 -4,-2.8 4,-1.6 2,-0.2 -1,-0.2 0.910 112.3 50.6 -63.0 -40.6 46.2 13.8 45.1 63 69 A V H < S+ 0 0 0 -4,-2.7 4,-0.4 2,-0.2 3,-0.2 0.927 110.7 48.9 -62.2 -45.4 47.2 17.2 43.6 64 70 A F H >< S+ 0 0 6 -4,-2.7 3,-1.4 1,-0.2 -1,-0.2 0.924 110.8 50.6 -60.1 -45.4 49.3 15.6 41.0 65 71 A R H >< S+ 0 0 39 -4,-2.4 3,-2.4 1,-0.3 -1,-0.2 0.776 91.7 76.3 -65.8 -27.0 46.5 13.1 40.1 66 72 A S T 3< S+ 0 0 16 -4,-1.6 -1,-0.3 1,-0.3 -2,-0.2 0.729 87.2 62.6 -58.2 -19.5 44.0 16.0 39.8 67 73 A F T < 0 0 27 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.1 0.163 360.0 360.0 -92.8 20.6 45.7 16.7 36.4 68 74 A D < 0 0 173 -3,-2.4 -1,-0.3 31,-0.1 -2,-0.2 0.153 360.0 360.0 146.4 360.0 44.6 13.2 35.3 69 ! 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 70 78 A D 0 0 134 0, 0.0 2,-0.5 0, 0.0 -31,-0.0 0.000 360.0 360.0 360.0 169.3 51.1 9.1 38.4 71 79 A G - 0 0 34 2,-0.0 -31,-0.7 0, 0.0 2,-0.3 -0.978 360.0 -44.7 111.1-123.4 53.1 9.2 35.2 72 80 A T E -A 39 0A 69 -2,-0.5 2,-0.3 -33,-0.2 -33,-0.2 -0.972 37.0-142.5-144.9 161.0 54.3 12.8 34.6 73 81 A L E -A 38 0A 3 -35,-2.4 -35,-2.5 -2,-0.3 2,-0.1 -0.892 22.7-136.8-113.8 149.1 53.2 16.5 34.6 74 82 A D E > -A 37 0A 27 -2,-0.3 4,-2.6 -37,-0.2 5,-0.2 -0.406 37.2 -90.7 -95.4 179.7 54.4 19.0 32.1 75 83 A F H > S+ 0 0 7 -39,-0.6 4,-2.8 1,-0.2 5,-0.2 0.900 124.9 54.9 -58.0 -42.5 55.5 22.5 33.0 76 84 A K H > S+ 0 0 20 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.921 112.9 41.1 -57.9 -47.8 52.0 23.9 32.4 77 85 A Q H > S+ 0 0 32 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.895 113.6 53.5 -69.0 -40.0 50.4 21.5 34.9 78 86 A Y H X S+ 0 0 29 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.888 112.5 45.2 -62.9 -36.7 53.2 21.9 37.3 79 87 A V H X S+ 0 0 0 -4,-2.8 4,-1.9 -5,-0.2 -2,-0.2 0.940 115.3 45.5 -73.2 -44.7 52.8 25.6 37.3 80 88 A I H X S+ 0 0 15 -4,-2.6 4,-2.8 -5,-0.2 -2,-0.2 0.905 109.4 56.9 -64.4 -37.0 49.0 25.4 37.6 81 89 A A H X S+ 0 0 0 -4,-3.2 4,-1.8 1,-0.2 -1,-0.2 0.899 106.9 48.5 -60.3 -41.8 49.3 22.8 40.4 82 90 A L H X S+ 0 0 35 -4,-1.5 4,-2.1 2,-0.2 -1,-0.2 0.886 110.9 51.0 -66.4 -38.6 51.5 25.2 42.4 83 91 A H H X S+ 0 0 7 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.924 108.0 52.9 -64.6 -43.0 48.9 28.0 41.8 84 92 A M H < S+ 0 0 12 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.900 117.5 36.7 -60.2 -40.2 46.1 25.8 43.0 85 93 A T H < S+ 0 0 1 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.744 134.3 16.6 -86.2 -21.6 47.8 24.9 46.3 86 94 A S H < S+ 0 0 71 -4,-2.1 2,-0.3 -5,-0.2 -3,-0.2 0.450 110.2 49.8-136.7 5.8 49.5 28.2 47.1 87 95 A A S < S+ 0 0 21 -4,-2.4 -1,-0.1 -5,-0.2 2,-0.0 -0.988 80.1 16.3-147.9 156.1 48.2 31.3 45.2 88 96 A G S S- 0 0 23 -2,-0.3 2,-0.4 -3,-0.1 -74,-0.1 -0.249 90.7 -43.6 83.7-173.0 45.0 33.1 44.3 89 97 A K > - 0 0 139 1,-0.1 3,-1.8 -2,-0.0 4,-0.2 -0.788 40.7-131.8 -99.5 139.8 41.5 32.9 45.7 90 98 A T G > S+ 0 0 8 -2,-0.4 3,-2.0 1,-0.3 7,-0.2 0.834 103.6 68.6 -54.7 -35.0 39.9 29.6 46.5 91 99 A N G 3 S+ 0 0 68 1,-0.3 3,-0.4 2,-0.2 -1,-0.3 0.643 94.7 52.6 -59.9 -21.7 36.8 30.8 44.7 92 100 A Q G < S+ 0 0 68 -3,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.363 106.0 57.9 -96.3 4.2 38.5 30.8 41.3 93 101 A K <> + 0 0 0 -3,-2.0 4,-3.0 -4,-0.2 -1,-0.2 0.175 66.2 110.1-117.9 14.4 39.5 27.2 41.8 94 102 A L H > S+ 0 0 6 -3,-0.4 4,-1.9 2,-0.2 -1,-0.1 0.829 79.1 51.5 -62.5 -34.2 36.2 25.4 42.4 95 103 A E H > S+ 0 0 86 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.919 115.4 42.7 -67.6 -43.9 36.3 23.5 39.1 96 104 A W H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.895 108.4 59.2 -68.6 -39.8 39.7 22.3 39.9 97 105 A A H X S+ 0 0 0 -4,-3.0 4,-2.8 1,-0.2 5,-0.2 0.909 103.7 52.5 -56.1 -41.7 38.7 21.6 43.5 98 106 A F H X S+ 0 0 9 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.919 107.2 51.8 -59.5 -43.2 36.0 19.2 42.2 99 107 A S H < S+ 0 0 49 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.861 110.5 50.0 -61.2 -35.4 38.7 17.5 40.1 100 108 A L H < S+ 0 0 2 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.954 113.6 43.1 -67.1 -51.7 40.7 17.1 43.4 101 109 A Y H < S+ 0 0 2 -4,-2.8 2,-2.2 1,-0.2 9,-0.3 0.768 96.6 77.1 -68.0 -28.3 37.9 15.7 45.4 102 110 A D >< + 0 0 11 -4,-2.4 3,-1.2 -5,-0.2 -1,-0.2 -0.520 67.2 176.6 -82.7 73.1 36.7 13.3 42.6 103 111 A V T 3 S+ 0 0 25 -2,-2.2 -1,-0.2 1,-0.3 6,-0.1 0.874 74.6 37.3 -44.9 -56.9 39.6 10.9 43.4 104 112 A D T 3 S- 0 0 104 -3,-0.2 -1,-0.3 4,-0.2 -2,-0.1 0.563 104.3-130.0 -78.6 -5.9 38.8 8.1 41.0 105 113 A G < + 0 0 53 -3,-1.2 -2,-0.1 -6,-0.1 4,-0.1 0.743 61.1 139.6 65.5 28.3 37.7 10.7 38.4 106 114 A N S S- 0 0 98 2,-0.4 -1,-0.1 1,-0.0 3,-0.1 0.325 78.8 -96.9 -85.4 9.9 34.4 9.0 37.6 107 115 A G S S+ 0 0 40 1,-0.2 54,-0.4 -5,-0.2 2,-0.3 0.210 97.6 64.7 99.8 -18.0 32.5 12.3 37.4 108 116 A T S S- 0 0 29 52,-0.1 2,-0.4 53,-0.1 -2,-0.4 -0.918 75.1-118.5-136.6 162.6 31.1 12.5 41.0 109 117 A I B -B 159 0B 0 50,-2.7 50,-2.8 -2,-0.3 2,-0.2 -0.879 25.5-157.9-106.0 131.4 32.4 12.7 44.5 110 118 A S > - 0 0 40 -2,-0.4 4,-1.9 -9,-0.3 5,-0.2 -0.592 31.6-107.8-102.3 167.0 31.6 10.0 47.0 111 119 A K H > S+ 0 0 51 44,-0.5 4,-1.9 46,-0.4 3,-0.2 0.939 121.0 49.4 -58.3 -48.6 31.6 10.2 50.8 112 120 A N H > S+ 0 0 120 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.852 106.6 56.9 -60.1 -36.5 34.9 8.2 51.0 113 121 A E H > S+ 0 0 10 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.898 105.4 50.3 -63.6 -39.5 36.5 10.5 48.5 114 122 A V H X S+ 0 0 4 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.915 111.1 49.2 -64.1 -40.8 35.8 13.5 50.6 115 123 A L H X S+ 0 0 56 -4,-1.9 4,-2.2 2,-0.2 5,-0.2 0.889 108.7 54.6 -64.5 -38.7 37.3 11.7 53.6 116 124 A E H X S+ 0 0 88 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.963 115.5 36.1 -58.6 -55.2 40.4 10.8 51.5 117 125 A I H X S+ 0 0 2 -4,-2.3 4,-3.0 2,-0.2 5,-0.3 0.908 115.7 53.8 -66.9 -44.7 41.1 14.4 50.5 118 126 A V H X S+ 0 0 3 -4,-2.9 4,-2.4 -5,-0.2 -1,-0.2 0.890 111.4 47.6 -57.7 -38.5 40.0 15.9 53.8 119 127 A T H X S+ 0 0 33 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.926 110.9 50.3 -67.5 -46.5 42.5 13.5 55.6 120 128 A A H < S+ 0 0 2 -4,-2.1 -61,-0.4 -5,-0.2 -2,-0.2 0.936 114.7 44.3 -57.6 -47.2 45.3 14.4 53.1 121 129 A I H >< S+ 0 0 5 -4,-3.0 3,-2.1 1,-0.2 4,-0.3 0.890 107.6 59.2 -64.4 -40.2 44.7 18.1 53.7 122 130 A F H >< S+ 0 0 36 -4,-2.4 3,-1.7 1,-0.3 -1,-0.2 0.873 98.7 59.0 -57.1 -38.6 44.4 17.5 57.5 123 131 A K T 3< S+ 0 0 97 -4,-2.0 -68,-2.5 1,-0.3 -1,-0.3 0.464 93.1 67.4 -72.4 -0.8 48.0 16.1 57.5 124 132 A M T < S+ 0 0 7 -3,-2.1 2,-0.4 -70,-0.2 -1,-0.3 0.546 84.2 88.9 -91.4 -13.0 49.2 19.4 56.0 125 133 A I S < S- 0 0 19 -3,-1.7 -70,-0.1 -4,-0.3 58,-0.0 -0.702 86.7-118.5 -86.2 136.2 48.3 21.1 59.3 126 134 A S > - 0 0 14 -2,-0.4 4,-1.4 1,-0.1 3,-0.3 -0.417 20.9-118.7 -70.8 150.1 51.1 21.0 62.0 127 135 A P H > S+ 0 0 108 0, 0.0 4,-0.6 0, 0.0 3,-0.3 0.894 115.2 63.0 -54.5 -36.3 50.2 19.1 65.2 128 136 A E H >4 S+ 0 0 129 1,-0.2 3,-0.8 2,-0.2 4,-0.2 0.923 105.1 41.5 -53.2 -53.1 50.8 22.5 66.8 129 137 A D H >4 S+ 0 0 20 -3,-0.3 3,-1.6 1,-0.2 4,-0.4 0.704 96.2 78.8 -73.8 -17.9 47.9 24.3 65.0 130 138 A T H >< S+ 0 0 31 -4,-1.4 3,-1.0 -3,-0.3 -1,-0.2 0.750 83.1 64.2 -64.0 -23.8 45.4 21.4 65.2 131 139 A K T << S+ 0 0 142 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.1 0.684 96.3 59.9 -73.4 -13.8 44.6 22.3 68.9 132 140 A H T < S+ 0 0 105 -3,-1.6 -1,-0.2 -4,-0.2 -2,-0.2 0.631 83.3 107.8 -86.0 -14.4 43.2 25.5 67.5 133 141 A L S < S- 0 0 13 -3,-1.0 5,-0.2 -4,-0.4 4,-0.1 -0.341 83.8 -97.7 -67.2 140.9 40.6 23.7 65.4 134 142 A P > - 0 0 61 0, 0.0 3,-2.0 0, 0.0 -1,-0.1 -0.267 33.1-118.4 -56.4 145.3 37.0 23.8 66.4 135 143 A E G > S+ 0 0 128 1,-0.3 3,-1.1 2,-0.2 4,-0.1 0.879 114.6 48.7 -53.2 -46.1 35.9 20.7 68.4 136 144 A D G 3 S+ 0 0 70 1,-0.2 -1,-0.3 2,-0.1 10,-0.1 0.278 121.1 38.8 -82.9 15.7 33.3 19.6 65.9 137 145 A E G < S+ 0 0 5 -3,-2.0 -1,-0.2 -4,-0.1 -2,-0.2 0.110 84.8 100.2-147.6 24.7 35.9 20.1 63.1 138 146 A N S < S+ 0 0 46 -3,-1.1 -5,-0.1 -5,-0.2 -2,-0.1 0.310 74.7 52.1-101.0 8.7 39.2 18.8 64.6 139 147 A T S > S- 0 0 37 1,-0.1 4,-2.2 -4,-0.1 5,-0.2 -0.974 84.4-114.8-137.2 152.8 39.5 15.3 63.1 140 148 A P H > S+ 0 0 18 0, 0.0 4,-2.6 0, 0.0 5,-0.3 0.927 115.5 52.4 -52.7 -46.7 39.4 14.1 59.5 141 149 A E H > S+ 0 0 96 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.908 109.9 47.8 -55.6 -46.9 36.2 12.1 60.2 142 150 A K H > S+ 0 0 67 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.937 114.3 45.5 -61.7 -47.9 34.4 15.1 61.7 143 151 A R H X S+ 0 0 12 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.916 114.9 46.4 -63.3 -45.6 35.3 17.5 58.9 144 152 A A H X S+ 0 0 8 -4,-2.6 4,-2.2 -5,-0.2 -1,-0.2 0.885 114.3 48.8 -64.7 -40.1 34.4 15.1 56.1 145 153 A E H X S+ 0 0 116 -4,-2.2 4,-2.5 -5,-0.3 -2,-0.2 0.884 110.0 50.8 -69.3 -37.1 31.2 14.1 57.7 146 154 A K H X S+ 0 0 44 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.933 110.1 50.4 -65.1 -42.9 30.2 17.8 58.3 147 155 A I H X S+ 0 0 1 -4,-2.4 4,-1.2 1,-0.2 -2,-0.2 0.917 111.1 48.4 -58.8 -45.4 30.9 18.5 54.6 148 156 A W H <>S+ 0 0 6 -4,-2.2 5,-2.0 1,-0.2 3,-0.3 0.899 111.8 50.6 -62.9 -40.1 28.8 15.5 53.6 149 157 A G H ><5S+ 0 0 52 -4,-2.5 3,-1.4 1,-0.2 -2,-0.2 0.864 104.9 56.1 -65.4 -37.1 26.1 16.8 56.0 150 158 A F H 3<5S+ 0 0 67 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.793 108.1 48.7 -66.3 -26.6 26.2 20.3 54.5 151 159 A F T 3<5S- 0 0 9 -4,-1.2 -1,-0.3 -3,-0.3 -2,-0.2 0.384 112.1-125.7 -91.5 3.6 25.5 18.8 51.1 152 160 A G T < 5 + 0 0 61 -3,-1.4 2,-0.3 1,-0.2 -3,-0.2 0.888 53.7 159.7 54.5 45.2 22.6 16.8 52.6 153 161 A K < - 0 0 39 -5,-2.0 2,-0.2 4,-0.1 -1,-0.2 -0.702 38.5-136.5-104.0 151.9 24.0 13.5 51.4 154 162 A K > - 0 0 148 -2,-0.3 3,-2.3 1,-0.1 -43,-0.1 -0.570 43.9 -93.0 -93.4 163.1 23.3 9.9 52.4 155 163 A D T 3 S+ 0 0 107 1,-0.3 -44,-0.5 -2,-0.2 -43,-0.2 0.854 126.0 36.6 -46.6 -43.0 26.3 7.5 52.7 156 164 A D T 3 S+ 0 0 146 -46,-0.1 -1,-0.3 -45,-0.1 2,-0.1 0.147 90.3 119.4-101.5 22.6 25.9 6.2 49.2 157 165 A D < - 0 0 49 -3,-2.3 2,-0.4 1,-0.0 -46,-0.4 -0.435 57.6-133.1 -81.2 160.4 24.8 9.5 47.5 158 166 A K - 0 0 137 -48,-0.1 2,-0.5 -2,-0.1 -48,-0.2 -0.965 10.2-142.0-118.1 132.2 26.9 10.9 44.8 159 167 A L B -B 109 0B 1 -50,-2.8 -50,-2.7 -2,-0.4 2,-0.1 -0.823 17.7-148.7 -96.0 127.4 27.9 14.6 44.7 160 168 A T > - 0 0 62 -2,-0.5 4,-2.7 -52,-0.2 5,-0.1 -0.456 24.7-114.8 -90.3 165.2 27.9 16.3 41.2 161 169 A E H > S+ 0 0 90 -54,-0.4 4,-2.7 2,-0.2 5,-0.3 0.928 116.4 58.1 -63.4 -43.9 30.1 19.2 40.0 162 170 A K H > S+ 0 0 140 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.947 112.8 37.6 -49.6 -56.5 27.0 21.3 39.7 163 171 A E H > S+ 0 0 53 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.889 112.5 58.4 -66.6 -39.0 26.1 20.9 43.4 164 172 A F H X S+ 0 0 3 -4,-2.7 4,-2.2 1,-0.2 5,-0.2 0.942 110.4 42.9 -54.6 -50.4 29.8 21.0 44.5 165 173 A I H X S+ 0 0 49 -4,-2.7 4,-1.6 2,-0.2 5,-0.2 0.908 112.7 52.9 -63.7 -45.0 30.2 24.5 43.0 166 174 A E H X S+ 0 0 92 -4,-2.1 4,-3.4 -5,-0.3 5,-0.3 0.955 114.8 40.5 -56.3 -53.8 26.9 25.8 44.3 167 175 A G H X S+ 0 0 12 -4,-2.7 4,-1.7 1,-0.2 8,-0.4 0.829 113.0 52.2 -67.2 -34.9 27.6 24.8 47.9 168 176 A T H < S+ 0 0 0 -4,-2.2 -1,-0.2 -5,-0.3 -2,-0.2 0.772 118.4 40.4 -73.3 -23.6 31.2 25.8 48.0 169 177 A L H < S+ 0 0 79 -4,-1.6 -2,-0.2 -5,-0.2 -3,-0.2 0.935 125.6 32.4 -83.4 -56.9 30.1 29.2 46.6 170 178 A A H < S+ 0 0 85 -4,-3.4 2,-0.9 -5,-0.2 -3,-0.2 0.923 114.0 56.1 -68.9 -50.6 26.9 29.7 48.7 171 179 A N >X - 0 0 47 -4,-1.7 4,-1.8 -5,-0.3 3,-0.8 -0.769 62.7-169.4 -92.2 104.7 27.7 27.9 51.9 172 180 A K H 3> S+ 0 0 117 -2,-0.9 4,-2.0 1,-0.3 -1,-0.2 0.642 85.0 62.6 -66.9 -15.0 30.9 29.5 53.3 173 181 A E H 3> S+ 0 0 85 2,-0.2 4,-2.2 3,-0.2 -1,-0.3 0.841 103.1 49.3 -77.9 -33.1 31.1 26.7 56.0 174 182 A I H <> S+ 0 0 2 -3,-0.8 4,-3.2 -7,-0.3 5,-0.3 0.949 110.4 51.0 -67.3 -46.8 31.5 24.2 53.2 175 183 A L H X S+ 0 0 25 -4,-1.8 4,-1.6 -8,-0.4 -2,-0.2 0.931 110.6 48.9 -54.0 -48.2 34.2 26.4 51.6 176 184 A R H < S+ 0 0 64 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.918 115.4 44.3 -58.2 -45.4 36.0 26.5 54.9 177 185 A L H < S+ 0 0 2 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.861 116.2 43.3 -71.8 -36.9 35.8 22.8 55.4 178 186 A I H < S+ 0 0 1 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.673 83.3 134.5 -81.6 -15.0 36.8 21.8 51.8 179 187 A Q < - 0 0 18 -4,-1.6 -3,-0.1 -5,-0.3 -4,-0.0 -0.011 31.0-178.7 -37.4 126.2 39.6 24.4 51.8 180 188 A F + 0 0 0 -96,-0.1 -1,-0.1 5,-0.0 3,-0.1 0.474 46.3 103.2-112.5 -7.8 42.8 22.8 50.5 181 189 A E >> - 0 0 8 1,-0.2 4,-2.5 2,-0.0 3,-0.5 -0.696 63.9-146.1 -80.7 113.6 45.4 25.6 50.7 182 190 A P H 3> S+ 0 0 17 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.868 97.2 48.7 -45.5 -44.0 47.6 24.9 53.7 183 191 A Q H 3> S+ 0 0 101 1,-0.2 4,-2.7 2,-0.2 5,-0.1 0.886 111.2 48.3 -67.9 -38.8 48.1 28.6 54.5 184 192 A K H <> S+ 0 0 53 -3,-0.5 4,-2.4 2,-0.2 5,-0.2 0.907 110.2 51.4 -68.7 -41.0 44.4 29.4 54.3 185 193 A V H X S+ 0 0 11 -4,-2.5 4,-1.4 1,-0.2 -2,-0.2 0.948 113.4 46.6 -58.9 -47.5 43.4 26.5 56.5 186 194 A K H < S+ 0 0 100 -4,-2.1 3,-0.3 -5,-0.3 -2,-0.2 0.937 112.4 49.0 -59.4 -51.4 46.0 27.7 59.0 187 195 A E H < S+ 0 0 135 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.895 107.6 52.6 -58.0 -46.4 44.9 31.3 58.9 188 196 A K H < 0 0 148 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.845 360.0 360.0 -58.8 -35.5 41.2 30.7 59.3 189 197 A L < 0 0 60 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.960 360.0 360.0 -53.6 360.0 42.0 28.6 62.4