==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 05-FEB-13 4J2T . COMPND 2 MOLECULE: SERCA1A; . SOURCE 2 ORGANISM_SCIENTIFIC: ORYCTOLAGUS CUNICULUS; . AUTHOR E.S.PAULSEN,J.VILLADSEN,E.TENORI,H.LIU,M.A.LIE,D.F.BONDE,M.B . 994 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45170.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 743 74.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 34 3.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 108 10.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.3 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 . 1 0.1 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 . 64 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 139 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 36.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.6 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 4 3 4 2 2 3 1 4 1 1 0 1 2 0 1 2 1 1 0 0 0 0 1 1 0 0 1 RESIDUES PER ALPHA HELIX . 1 0 5 1 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 PARALLEL BRIDGES PER LADDER . 3 4 3 3 4 2 1 1 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 1 0 1 0 1 0 0 1 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 M 0 0 84 0, 0.0 224,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 141.1 -22.9 31.2 -19.1 2 2 A E - 0 0 46 222,-0.1 3,-0.1 5,-0.0 222,-0.0 -0.603 360.0 -79.1-150.9-154.6 -21.8 28.8 -16.3 3 3 A A >> + 0 0 51 -2,-0.2 3,-2.0 1,-0.1 4,-0.6 -0.332 60.8 158.0-117.1 40.6 -21.9 25.6 -14.1 4 4 A A T 34 + 0 0 2 1,-0.3 3,-0.2 2,-0.2 -1,-0.1 0.615 51.8 76.7 -41.7 -31.2 -24.9 27.1 -12.3 5 5 A H T 34 S+ 0 0 9 1,-0.2 189,-2.7 -3,-0.1 -1,-0.3 0.830 103.7 38.4 -57.5 -31.3 -26.3 23.8 -11.1 6 6 A S T <4 S+ 0 0 18 -3,-2.0 -1,-0.2 187,-0.2 -2,-0.2 0.711 105.5 81.3 -90.0 -25.1 -23.7 23.7 -8.3 7 7 A K S < S- 0 0 86 -4,-0.6 187,-0.2 -3,-0.2 2,-0.2 -0.405 84.0-112.7 -78.5 158.1 -23.8 27.5 -7.7 8 8 A S > - 0 0 22 -2,-0.1 4,-1.9 185,-0.1 5,-0.2 -0.543 30.4-101.1 -91.5 160.7 -26.5 29.0 -5.4 9 9 A T H > S+ 0 0 15 182,-0.2 4,-1.7 1,-0.2 5,-0.2 0.848 122.0 45.3 -45.6 -44.7 -29.3 31.4 -6.6 10 10 A E H >> S+ 0 0 126 2,-0.2 4,-3.0 1,-0.2 3,-0.9 0.987 106.7 56.3 -65.6 -59.9 -27.4 34.4 -5.3 11 11 A E H 3> S+ 0 0 97 1,-0.3 4,-3.3 2,-0.2 -1,-0.2 0.819 110.8 47.9 -41.2 -36.3 -24.0 33.5 -6.7 12 12 A C H 3X S+ 0 0 0 -4,-1.9 4,-1.7 2,-0.2 -1,-0.3 0.865 110.5 47.8 -76.2 -36.9 -25.8 33.3 -10.1 13 13 A L H <<>S+ 0 0 27 -4,-1.7 5,-1.9 -3,-0.9 4,-0.3 0.756 115.7 50.4 -72.4 -21.6 -27.5 36.7 -9.6 14 14 A A H ><5S+ 0 0 66 -4,-3.0 3,-1.0 3,-0.2 -2,-0.2 0.980 104.5 54.1 -74.5 -64.8 -24.1 37.8 -8.6 15 15 A Y H 3<5S+ 0 0 134 -4,-3.3 -2,-0.2 1,-0.3 -3,-0.1 0.858 121.0 30.5 -34.2 -63.9 -22.2 36.4 -11.6 16 16 A F T 3<5S- 0 0 14 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.668 103.7-134.9 -74.7 -16.0 -24.3 38.1 -14.2 17 17 A G T < 5 + 0 0 45 -3,-1.0 2,-0.4 -4,-0.3 -3,-0.2 0.986 51.8 148.3 58.0 59.1 -24.9 40.9 -11.8 18 18 A V < - 0 0 10 -5,-1.9 2,-0.5 -6,-0.1 -1,-0.2 -0.967 49.6-119.3-128.4 145.1 -28.6 41.0 -12.5 19 19 A S B > -A 23 0A 48 4,-0.9 4,-3.3 -2,-0.4 3,-0.3 -0.716 12.4-144.2 -85.7 124.7 -31.5 42.0 -10.3 20 20 A E T 4 S+ 0 0 67 -2,-0.5 -1,-0.1 1,-0.2 4,-0.1 0.731 101.8 42.3 -60.1 -22.6 -34.1 39.2 -9.7 21 21 A T T 4 S+ 0 0 136 2,-0.1 -1,-0.2 1,-0.0 110,-0.0 0.721 124.0 32.2 -97.5 -24.9 -36.8 41.8 -9.7 22 22 A T T 4 S- 0 0 57 -3,-0.3 112,-0.3 1,-0.2 2,-0.2 0.761 91.9-153.6-100.0 -33.3 -35.8 44.0 -12.5 23 23 A G B < -A 19 0A 0 -4,-3.3 -4,-0.9 108,-0.2 108,-0.2 -0.547 51.2 -20.7 87.9-160.1 -34.1 41.5 -14.8 24 24 A L B S-b 131 0B 0 106,-0.6 108,-2.9 -2,-0.2 109,-0.4 -0.528 70.2-120.1 -81.2 154.0 -31.4 42.6 -17.2 25 25 A T > - 0 0 48 106,-0.2 4,-2.3 -2,-0.2 3,-0.3 -0.725 27.9-109.2 -92.0 143.5 -31.2 46.3 -18.1 26 26 A P H > S+ 0 0 67 0, 0.0 4,-1.3 0, 0.0 -1,-0.1 0.730 123.4 50.6 -42.8 -26.4 -31.6 47.1 -21.8 27 27 A D H > S+ 0 0 90 2,-0.2 4,-2.6 1,-0.2 3,-0.3 0.943 106.3 51.9 -76.8 -52.2 -27.9 48.0 -21.7 28 28 A Q H > S+ 0 0 19 -3,-0.3 4,-3.3 1,-0.2 5,-0.2 0.856 107.3 56.9 -50.5 -37.3 -26.9 44.7 -20.1 29 29 A V H X S+ 0 0 22 -4,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.925 108.0 43.9 -63.1 -47.4 -28.9 43.0 -22.9 30 30 A K H X S+ 0 0 162 -4,-1.3 4,-1.9 -3,-0.3 -2,-0.2 0.946 117.7 46.0 -63.4 -47.2 -26.9 44.6 -25.7 31 31 A R H X S+ 0 0 127 -4,-2.6 4,-0.7 1,-0.2 -2,-0.2 0.972 115.3 46.1 -57.4 -56.8 -23.6 44.0 -23.9 32 32 A H H X S+ 0 0 16 -4,-3.3 4,-1.7 -5,-0.2 3,-0.4 0.836 111.8 50.9 -54.0 -42.9 -24.6 40.3 -23.1 33 33 A L H X S+ 0 0 46 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.906 108.2 50.8 -64.5 -46.2 -25.9 39.5 -26.6 34 34 A E H < S+ 0 0 175 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.610 116.6 44.2 -67.7 -12.6 -22.7 40.8 -28.3 35 35 A K H < S+ 0 0 141 -4,-0.7 -2,-0.2 -3,-0.4 -1,-0.2 0.694 127.1 24.9-104.4 -23.7 -20.7 38.6 -25.9 36 36 A Y H < S- 0 0 49 -4,-1.7 -2,-0.2 1,-0.2 -3,-0.2 0.364 99.5-136.8-121.5 -0.6 -22.7 35.4 -26.0 37 37 A G < - 0 0 34 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.1 0.026 45.5 -35.5 68.7 179.0 -24.4 35.6 -29.4 38 38 A H - 0 0 63 1,-0.1 2,-1.7 108,-0.1 106,-0.2 -0.377 60.4-114.3 -72.3 153.8 -28.0 34.8 -30.2 39 39 A N S S+ 0 0 12 104,-2.5 2,-0.3 106,-0.3 106,-0.2 -0.640 81.3 95.7 -90.6 78.5 -29.6 31.9 -28.3 40 40 A E S S- 0 0 65 -2,-1.7 188,-0.3 104,-0.1 3,-0.1 -0.949 79.2 -91.6-155.3 166.7 -30.1 29.7 -31.2 41 41 A L - 0 0 4 -2,-0.3 3,-0.1 186,-0.2 186,-0.0 -0.695 60.3 -77.2 -91.0 142.0 -28.3 26.8 -32.9 42 42 A P - 0 0 54 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.055 56.3-101.4 -36.3 132.1 -25.7 27.5 -35.7 43 43 A A - 0 0 81 1,-0.1 3,-0.1 -3,-0.1 2,-0.1 -0.087 46.4 -90.4 -53.5 158.0 -27.3 28.3 -39.0 44 44 A E - 0 0 110 1,-0.1 2,-0.1 -3,-0.1 -1,-0.1 -0.371 47.2 -97.6 -71.0 150.9 -27.4 25.5 -41.6 45 45 A E - 0 0 132 -3,-0.1 2,-0.9 1,-0.1 -1,-0.1 -0.471 41.0-119.4 -68.8 141.9 -24.4 25.1 -44.0 46 46 A G + 0 0 68 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.741 39.2 169.9 -93.8 103.0 -25.2 26.8 -47.3 47 47 A K - 0 0 70 -2,-0.9 2,-0.2 4,-0.0 3,-0.0 -0.916 18.9-147.3-110.7 140.0 -25.1 24.5 -50.3 48 48 A S > - 0 0 48 -2,-0.4 4,-3.1 1,-0.1 5,-0.2 -0.601 27.8-117.6-102.0 155.6 -26.4 25.5 -53.8 49 49 A L H > S+ 0 0 117 -2,-0.2 4,-3.0 2,-0.2 5,-0.2 0.920 120.7 58.0 -53.1 -42.5 -28.0 23.4 -56.5 50 50 A W H > S+ 0 0 178 2,-0.2 4,-3.5 1,-0.2 5,-0.3 0.945 107.4 41.0 -49.4 -62.3 -24.9 24.4 -58.3 51 51 A E H > S+ 0 0 81 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.929 115.9 53.8 -55.2 -42.9 -22.4 22.9 -55.8 52 52 A L H X S+ 0 0 16 -4,-3.1 4,-1.1 2,-0.2 -2,-0.2 0.876 113.2 41.2 -59.8 -40.4 -24.8 20.0 -55.6 53 53 A V H >X S+ 0 0 48 -4,-3.0 4,-1.5 2,-0.2 3,-0.7 0.950 112.2 53.7 -73.1 -49.0 -24.7 19.5 -59.3 54 54 A I H 3< S+ 0 0 67 -4,-3.5 3,-0.2 1,-0.3 -2,-0.2 0.871 104.2 58.6 -51.9 -38.2 -21.0 20.1 -59.6 55 55 A E H >X S+ 0 0 69 -4,-2.6 3,-1.9 -5,-0.3 4,-0.6 0.905 99.3 56.3 -58.6 -41.7 -20.6 17.4 -56.9 56 56 A Q H X< S+ 0 0 35 -4,-1.1 3,-0.5 -3,-0.7 -1,-0.2 0.890 108.5 49.4 -57.1 -36.8 -22.3 14.9 -59.2 57 57 A F T 3< S+ 0 0 39 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.025 90.8 82.7 -93.9 29.6 -19.6 15.8 -61.8 58 58 A E T <4 + 0 0 103 -3,-1.9 -1,-0.2 -5,-0.1 -2,-0.2 0.791 60.2 103.9 -98.4 -35.9 -16.7 15.3 -59.4 59 59 A D S > S+ 0 0 55 2,-0.2 4,-2.9 1,-0.2 3,-0.5 0.970 106.4 44.8 -70.1 -53.8 -13.4 10.6 -61.7 61 61 A L H 3> S+ 0 0 16 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.917 109.1 56.2 -56.8 -44.3 -15.2 8.2 -64.0 62 62 A V H 3> S+ 0 0 10 1,-0.2 4,-2.4 2,-0.2 -1,-0.3 0.846 111.3 46.3 -57.1 -33.1 -18.1 10.6 -64.4 63 63 A R H X S+ 0 0 112 -4,-3.2 3,-2.9 1,-0.2 4,-1.8 0.984 111.3 45.2 -57.9 -60.1 -14.9 14.3 -71.5 68 68 A A H 3X S+ 0 0 3 -4,-2.1 4,-2.9 1,-0.3 5,-0.2 0.828 102.2 67.9 -51.8 -35.5 -15.6 11.5 -74.0 69 69 A A H 3X S+ 0 0 3 -4,-2.6 4,-1.3 1,-0.2 -1,-0.3 0.722 107.5 40.9 -58.1 -20.3 -19.1 12.9 -74.3 70 70 A C H <> S+ 0 0 63 -3,-2.9 4,-3.6 -4,-0.5 5,-0.4 0.877 107.4 54.5 -94.3 -51.4 -17.4 15.8 -76.0 71 71 A I H X S+ 0 0 34 -4,-1.8 4,-3.0 1,-0.2 -2,-0.2 0.948 117.2 45.1 -46.2 -43.9 -14.8 14.1 -78.1 72 72 A S H X S+ 0 0 0 -4,-2.9 4,-3.1 -5,-0.2 5,-0.3 0.966 109.4 51.9 -62.7 -55.6 -17.9 12.4 -79.4 73 73 A F H < S+ 0 0 113 -4,-1.3 4,-0.3 -5,-0.2 -1,-0.2 0.849 116.2 42.5 -51.3 -38.7 -20.1 15.5 -79.6 74 74 A V H >< S+ 0 0 79 -4,-3.6 3,-1.2 2,-0.2 -1,-0.2 0.928 112.5 52.3 -74.3 -46.4 -17.3 17.1 -81.7 75 75 A L H >< S+ 0 0 7 -4,-3.0 3,-1.6 -5,-0.4 -2,-0.2 0.895 108.7 50.5 -54.2 -45.2 -16.7 13.9 -83.8 76 76 A A G >< S+ 0 0 9 -4,-3.1 3,-0.7 1,-0.3 -1,-0.3 0.621 100.5 64.8 -68.9 -15.0 -20.4 13.7 -84.7 77 77 A W G < S+ 0 0 182 -3,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.235 100.7 54.9 -89.3 10.6 -20.2 17.3 -85.7 78 78 A F G < S+ 0 0 130 -3,-1.6 -1,-0.2 9,-0.1 -2,-0.1 -0.107 78.5 122.4-134.0 31.7 -17.8 16.1 -88.4 79 79 A E S < S- 0 0 65 -3,-0.7 2,-1.1 5,-0.1 3,-0.1 -0.404 74.0 -93.3 -88.6 174.8 -19.9 13.4 -90.2 80 80 A E > - 0 0 130 -2,-0.1 3,-3.1 1,-0.1 4,-0.3 -0.624 47.8-110.1 -96.2 81.8 -20.7 13.5 -93.9 81 81 A G G > S+ 0 0 62 -2,-1.1 3,-0.6 1,-0.3 -1,-0.1 -0.095 101.5 6.0 40.4-104.8 -24.0 15.2 -94.3 82 82 A E G 3 S+ 0 0 151 1,-0.2 -1,-0.3 3,-0.1 3,-0.2 0.577 111.3 84.3 -83.3 -12.8 -26.6 12.6 -95.4 83 83 A E G < S+ 0 0 92 -3,-3.1 2,-0.3 1,-0.3 -1,-0.2 0.700 113.0 6.0 -62.2 -14.9 -24.1 9.7 -95.0 84 84 A T < + 0 0 25 -3,-0.6 -1,-0.3 -4,-0.3 -5,-0.1 -0.898 49.9 162.8-170.1 136.6 -25.3 9.9 -91.4 85 85 A I S > S+ 0 0 129 -2,-0.3 3,-0.9 -3,-0.2 -1,-0.1 0.475 82.5 69.8-125.0 -26.2 -28.0 11.9 -89.4 86 86 A T G > S+ 0 0 16 1,-0.2 3,-2.3 2,-0.1 4,-0.5 0.464 70.3 108.3 -73.4 0.4 -27.9 9.6 -86.4 87 87 A A G > S+ 0 0 13 1,-0.3 3,-0.5 2,-0.2 -1,-0.2 0.801 71.5 53.8 -46.5 -40.6 -24.4 11.0 -85.8 88 88 A F G <> S+ 0 0 77 -3,-0.9 4,-0.9 1,-0.2 -1,-0.3 0.275 88.3 80.1 -84.6 12.1 -25.5 13.0 -82.8 89 89 A V H <> S+ 0 0 39 -3,-2.3 4,-2.0 2,-0.2 5,-0.2 0.823 83.6 59.4 -86.9 -34.1 -27.0 10.1 -80.9 90 90 A E H <> S+ 0 0 29 -3,-0.5 4,-1.6 -4,-0.5 3,-0.4 0.989 114.5 35.3 -57.2 -60.7 -23.8 8.7 -79.5 91 91 A P H > S+ 0 0 3 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.847 113.9 59.5 -62.3 -35.6 -22.9 11.9 -77.7 92 92 A F H X S+ 0 0 129 -4,-0.9 4,-1.7 1,-0.2 -2,-0.2 0.867 106.5 47.3 -61.1 -39.3 -26.5 12.7 -76.8 93 93 A V H X S+ 0 0 48 -4,-2.0 4,-1.9 -3,-0.4 -1,-0.2 0.911 105.5 55.8 -71.8 -44.5 -26.9 9.4 -74.9 94 94 A I H X S+ 0 0 2 -4,-1.6 4,-2.5 1,-0.2 -1,-0.2 0.918 108.7 51.0 -54.6 -41.4 -23.7 9.7 -72.9 95 95 A L H X S+ 0 0 72 -4,-1.7 4,-5.3 1,-0.2 5,-0.3 0.944 104.6 55.2 -60.6 -47.4 -25.1 13.0 -71.7 96 96 A L H X S+ 0 0 96 -4,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.822 108.4 50.8 -54.5 -33.4 -28.5 11.5 -70.7 97 97 A I H X S+ 0 0 32 -4,-1.9 4,-3.7 2,-0.2 -1,-0.2 0.973 116.9 38.1 -67.4 -54.6 -26.5 9.1 -68.6 98 98 A L H X S+ 0 0 3 -4,-2.5 4,-2.1 2,-0.2 -2,-0.2 0.906 118.8 48.7 -63.3 -42.9 -24.6 11.9 -66.9 99 99 A I H X S+ 0 0 80 -4,-5.3 4,-2.7 2,-0.2 -1,-0.2 0.953 116.0 44.6 -60.4 -49.5 -27.7 14.1 -66.8 100 100 A A H X S+ 0 0 48 -4,-2.7 4,-2.5 -5,-0.3 -2,-0.2 0.984 111.2 52.5 -56.0 -62.3 -29.7 11.2 -65.4 101 101 A N H X S+ 0 0 66 -4,-3.7 4,-1.9 1,-0.2 -1,-0.2 0.808 112.5 46.7 -43.7 -38.3 -26.9 10.3 -62.9 102 102 A A H X S+ 0 0 8 -4,-2.1 4,-2.4 -5,-0.2 5,-0.2 0.976 107.7 53.7 -70.1 -56.1 -26.8 13.9 -61.7 103 103 A I H X S+ 0 0 101 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.841 110.1 51.1 -45.9 -39.9 -30.6 14.3 -61.4 104 104 A V H X S+ 0 0 69 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.995 107.5 49.6 -62.7 -63.2 -30.5 11.2 -59.2 105 105 A G H X S+ 0 0 6 -4,-1.9 4,-1.3 1,-0.2 -2,-0.2 0.801 117.4 42.4 -45.4 -38.5 -27.8 12.4 -56.9 106 106 A V H X S+ 0 0 24 -4,-2.4 4,-2.9 2,-0.3 5,-0.3 0.936 110.2 50.5 -74.0 -57.1 -29.6 15.7 -56.3 107 107 A W H < S+ 0 0 150 -4,-2.5 4,-0.4 1,-0.3 -1,-0.2 0.545 112.3 59.1 -59.4 -3.8 -33.1 14.4 -56.0 108 108 A Q H < S+ 0 0 109 -4,-0.7 -2,-0.3 -5,-0.2 -1,-0.3 0.869 108.9 36.3 -90.0 -44.8 -31.2 12.4 -53.6 109 109 A E H < S+ 0 0 75 -4,-1.3 3,-0.2 -3,-0.3 -2,-0.2 0.723 111.1 58.7 -82.8 -22.8 -29.8 15.2 -51.5 110 110 A R S < S+ 0 0 172 -4,-2.9 -1,-0.2 1,-0.2 -3,-0.2 0.900 108.1 47.0 -71.9 -39.1 -32.8 17.5 -51.5 111 111 A N S S+ 0 0 86 -4,-0.4 -1,-0.2 -5,-0.3 -2,-0.2 0.529 94.0 107.3 -79.0 -4.9 -35.0 14.7 -50.0 112 112 A A - 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0 0 77 0, 0.0 4,-2.5 0, 0.0 3,-0.3 -0.553 40.5-100.2 -76.7 141.7 -6.3 4.9 -17.4 663 663 A L H > S+ 0 0 128 1,-0.2 4,-1.4 -2,-0.2 5,-0.1 0.640 121.5 56.4 -32.9 -27.7 -6.9 5.4 -21.1 664 664 A A H > S+ 0 0 65 2,-0.2 4,-2.6 3,-0.1 3,-0.3 0.992 112.9 33.4 -72.3 -68.7 -4.8 2.3 -21.8 665 665 A E H > S+ 0 0 97 -3,-0.3 4,-2.9 1,-0.3 -2,-0.2 0.819 114.6 62.8 -56.9 -33.1 -6.7 -0.3 -19.7 666 666 A Q H X S+ 0 0 12 -4,-2.5 4,-1.3 2,-0.2 -1,-0.3 0.964 109.1 40.2 -55.2 -52.5 -9.8 1.6 -20.6 667 667 A R H X S+ 0 0 93 -4,-1.4 4,-0.6 -3,-0.3 3,-0.5 0.938 113.0 54.0 -61.8 -49.8 -9.1 0.7 -24.2 668 668 A E H >< S+ 0 0 59 -4,-2.6 3,-1.0 1,-0.2 4,-0.3 0.874 103.7 58.4 -52.8 -40.7 -8.0 -2.8 -23.5 669 669 A A H >X S+ 0 0 0 -4,-2.9 4,-2.8 1,-0.2 3,-1.9 0.904 96.6 61.6 -57.2 -46.1 -11.2 -3.4 -21.6 670 670 A C H 3< S+ 0 0 1 -4,-1.3 -1,-0.2 -3,-0.5 -2,-0.2 0.675 94.5 59.9 -58.1 -22.6 -13.4 -2.6 -24.7 671 671 A R T << S+ 0 0 120 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.521 122.0 23.6 -86.9 0.5 -12.0 -5.4 -26.8 672 672 A R T <4 S+ 0 0 59 -3,-1.9 -2,-0.2 -4,-0.3 -3,-0.1 0.602 96.6 101.5-130.1 -34.0 -13.2 -8.0 -24.3 673 673 A A < + 0 0 0 -4,-2.8 -21,-0.2 -5,-0.1 -22,-0.1 -0.058 30.6 166.5 -56.6 159.6 -16.0 -6.6 -22.2 674 674 A C + 0 0 4 -23,-2.4 -51,-3.7 1,-0.3 2,-0.5 0.448 61.8 57.6-148.9 -24.6 -19.7 -7.4 -22.9 675 675 A C E +no 623 652E 1 -24,-1.5 -22,-0.9 -53,-0.2 2,-0.6 -0.956 57.1 177.5-123.2 108.4 -21.8 -6.3 -20.0 676 676 A F E -no 624 653E 2 -53,-2.2 -51,-1.6 -2,-0.5 3,-0.3 -0.944 14.0-168.4-111.9 107.3 -21.5 -2.5 -19.2 677 677 A A E +no 625 654E 0 -24,-1.7 -22,-1.7 -2,-0.6 -51,-0.2 -0.652 57.5 8.0-102.9 155.4 -23.8 -1.5 -16.4 678 678 A R S S- 0 0 101 -53,-0.9 -23,-1.1 -51,-0.4 2,-0.5 0.947 82.6-177.2 41.8 71.4 -24.9 1.9 -15.0 679 679 A V - 0 0 37 -54,-0.8 -1,-0.2 -3,-0.3 5,-0.1 -0.883 19.8-139.3-108.2 124.0 -23.4 3.8 -17.9 680 680 A E > - 0 0 74 -2,-0.5 4,-0.8 1,-0.1 3,-0.0 -0.069 32.1-100.3 -68.0 172.1 -23.3 7.6 -18.2 681 681 A P H > S+ 0 0 79 0, 0.0 4,-0.7 0, 0.0 3,-0.4 0.914 116.9 58.3 -62.7 -47.8 -23.9 9.4 -21.6 682 682 A S H >> S+ 0 0 46 1,-0.2 3,-1.2 2,-0.2 4,-1.1 0.894 97.3 67.8 -49.4 -45.0 -20.3 10.1 -22.4 683 683 A H H >> S+ 0 0 2 1,-0.3 4,-2.6 2,-0.2 3,-1.4 0.875 86.7 59.8 -45.2 -59.5 -19.6 6.4 -22.3 684 684 A K H 3X S+ 0 0 16 -4,-0.8 4,-1.0 -3,-0.4 -1,-0.3 0.848 109.8 48.2 -42.1 -37.3 -21.5 5.2 -25.3 685 685 A S H S+ 0 0 0 -4,-2.0 5,-1.6 1,-0.3 3,-0.3 0.748 111.7 51.7 -60.8 -22.8 -14.1 -0.5 -30.7 692 692 A Q H ><5S+ 0 0 53 -4,-1.5 3,-2.0 1,-0.2 -1,-0.3 0.762 95.5 64.2 -83.2 -32.3 -13.0 1.5 -33.7 693 693 A S T 3<5S+ 0 0 51 -4,-1.1 -1,-0.2 -3,-0.3 -2,-0.2 0.485 102.4 54.9 -70.1 -0.3 -9.4 1.7 -32.7 694 694 A Y T 3 5S- 0 0 55 -3,-0.3 -1,-0.3 -4,-0.2 -2,-0.2 -0.043 120.4-113.5-119.0 25.5 -9.7 -2.1 -33.2 695 695 A D T < 5 + 0 0 131 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.793 66.1 151.2 43.5 41.1 -10.9 -1.6 -36.7 696 696 A E < - 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