==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 17-AUG-10 2L2E . COMPND 2 MOLECULE: CALCIUM-BINDING PROTEIN NCS-1; . SOURCE 2 ORGANISM_SCIENTIFIC: SCHIZOSACCHAROMYCES POMBE; . AUTHOR J.AMES,S.LIM . 189 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13067.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 128 67.7 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 . 5 2.6 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 . 7 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 89 47.1 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 0 0 0 1 1 1 0 4 1 1 0 0 0 0 1 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 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 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 2 A G 0 0 73 0, 0.0 4,-0.1 0, 0.0 183,-0.0 0.000 360.0 360.0 360.0 170.5 4.9 -52.1 -43.8 2 3 A K - 0 0 195 2,-0.2 3,-0.1 136,-0.0 0, 0.0 0.491 360.0 -12.9-142.1 -35.7 6.7 -54.8 -45.8 3 4 A S S S- 0 0 99 1,-0.4 2,-0.3 181,-0.0 0, 0.0 0.499 117.4 -33.9-141.3 -41.1 4.3 -56.3 -48.3 4 5 A Q S S- 0 0 132 1,-0.0 -1,-0.4 181,-0.0 -2,-0.2 -0.977 72.3 -63.9-176.4 168.5 0.7 -55.2 -47.6 5 6 A S - 0 0 50 -2,-0.3 130,-0.1 1,-0.1 4,-0.1 0.096 36.2-139.6 -55.0 178.7 -1.7 -54.3 -44.8 6 7 A K + 0 0 173 128,-0.3 2,-0.2 2,-0.1 -1,-0.1 -0.164 64.1 89.9-138.8 43.1 -2.8 -56.9 -42.3 7 8 A L S S- 0 0 73 1,-0.0 2,-0.4 2,-0.0 127,-0.0 -0.646 87.8 -59.8-127.3-175.0 -6.6 -56.4 -41.8 8 9 A S > - 0 0 58 -2,-0.2 4,-1.9 1,-0.2 -2,-0.1 -0.541 41.4-134.8 -71.9 125.7 -9.8 -57.5 -43.4 9 10 A Q H > S+ 0 0 170 -2,-0.4 4,-1.3 1,-0.2 -1,-0.2 0.872 106.9 54.2 -46.8 -39.0 -10.0 -56.6 -47.0 10 11 A D H >> S+ 0 0 124 1,-0.2 4,-1.6 2,-0.2 3,-0.8 0.978 103.9 51.3 -61.5 -56.1 -13.5 -55.4 -46.4 11 12 A Q H 3> S+ 0 0 99 1,-0.3 4,-2.7 2,-0.2 5,-0.3 0.822 102.6 65.3 -51.4 -29.7 -12.6 -53.0 -43.5 12 13 A L H 3X S+ 0 0 45 -4,-1.9 4,-1.7 1,-0.2 -1,-0.3 0.949 102.2 44.4 -59.9 -48.8 -10.0 -51.6 -45.9 13 14 A Q H X S+ 0 0 43 -4,-1.7 3,-2.0 -5,-0.3 4,-0.6 0.970 111.2 51.1 -72.6 -54.3 -11.2 -45.5 -47.2 17 18 A R H 3< S+ 0 0 121 -4,-3.3 3,-0.2 1,-0.3 -1,-0.2 0.702 105.3 63.3 -56.8 -14.2 -14.8 -45.0 -48.1 18 19 A S H 3< S+ 0 0 20 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.793 105.1 41.8 -81.1 -27.9 -14.9 -43.2 -44.8 19 20 A T H << S+ 0 0 12 -3,-2.0 -1,-0.2 -4,-0.7 -2,-0.2 0.319 89.5 129.1 -99.5 7.6 -12.5 -40.5 -45.9 20 21 A R < + 0 0 143 -4,-0.6 2,-0.2 -3,-0.2 37,-0.1 -0.103 34.1 70.1 -59.1 163.6 -14.1 -40.2 -49.3 21 22 A F S S- 0 0 58 71,-0.0 72,-0.1 0, 0.0 2,-0.1 -0.738 85.0 -45.3 121.8-167.8 -15.2 -36.7 -50.7 22 23 A D - 0 0 89 -2,-0.2 32,-0.0 32,-0.1 0, 0.0 -0.275 34.7-166.0 -90.3-179.5 -13.3 -33.6 -51.9 23 24 A K S >> S+ 0 0 32 70,-0.1 4,-3.0 3,-0.1 3,-0.5 0.561 80.5 61.5-131.4 -60.7 -10.3 -31.8 -50.4 24 25 A K H 3> S+ 0 0 149 1,-0.3 4,-1.4 2,-0.2 5,-0.1 0.785 108.8 55.3 -44.6 -23.0 -9.7 -28.4 -51.9 25 26 A E H 3> S+ 0 0 95 2,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.941 107.0 44.2 -76.9 -48.9 -13.2 -27.9 -50.5 26 27 A L H <> S+ 0 0 12 -3,-0.5 4,-3.5 1,-0.2 5,-0.2 0.865 109.6 59.1 -63.9 -34.1 -12.3 -28.9 -46.9 27 28 A Q H X S+ 0 0 42 -4,-3.0 4,-1.9 1,-0.2 5,-0.3 0.928 102.5 52.1 -61.3 -43.9 -9.2 -26.8 -47.2 28 29 A Q H X S+ 0 0 153 -4,-1.4 4,-1.5 -5,-0.3 -1,-0.2 0.911 116.1 40.6 -59.5 -40.9 -11.1 -23.7 -47.9 29 30 A W H X S+ 0 0 70 -4,-1.6 4,-2.5 2,-0.2 5,-0.3 0.893 110.1 57.7 -75.0 -39.5 -13.2 -24.3 -44.8 30 31 A Y H X S+ 0 0 8 -4,-3.5 4,-1.5 1,-0.2 -2,-0.2 0.837 110.9 44.0 -60.9 -31.5 -10.3 -25.5 -42.7 31 32 A K H X S+ 0 0 125 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.860 113.6 49.0 -82.1 -35.4 -8.6 -22.2 -43.3 32 33 A G H X S+ 0 0 33 -4,-1.5 4,-1.5 -5,-0.3 -2,-0.2 0.823 114.9 45.9 -72.8 -29.4 -11.7 -20.0 -42.7 33 34 A F H X S+ 0 0 63 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.902 114.3 45.2 -80.1 -41.7 -12.5 -21.9 -39.5 34 35 A F H < S+ 0 0 21 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.719 113.9 52.7 -73.9 -18.5 -9.0 -21.8 -38.0 35 36 A K H < S+ 0 0 140 -4,-1.1 -1,-0.2 2,-0.2 -2,-0.2 0.887 113.6 39.5 -82.8 -41.0 -8.7 -18.1 -39.0 36 37 A D H < S+ 0 0 129 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.787 136.1 20.6 -78.1 -26.6 -11.9 -17.0 -37.4 37 38 A C S < S- 0 0 79 -4,-1.8 2,-0.9 -5,-0.1 3,-0.3 -0.579 74.7-167.9-144.2 77.5 -11.3 -19.2 -34.4 38 39 A P + 0 0 108 0, 0.0 -4,-0.1 0, 0.0 -3,-0.1 -0.543 39.0 126.9 -69.7 104.5 -7.6 -20.2 -34.0 39 40 A S - 0 0 93 -2,-0.9 2,-0.4 2,-0.1 3,-0.1 0.644 46.6-154.1-125.3 -51.1 -7.7 -23.0 -31.4 40 41 A G + 0 0 12 -3,-0.3 41,-1.0 1,-0.3 42,-0.6 -0.314 69.5 79.4 100.6 -50.3 -5.9 -26.0 -32.8 41 42 A H E -A 80 0A 91 -2,-0.4 2,-0.3 39,-0.2 -1,-0.3 -0.518 62.0-164.3 -89.6 160.1 -7.7 -28.6 -30.6 42 43 A L E -A 79 0A 16 37,-2.3 37,-1.9 -2,-0.2 2,-0.2 -0.991 13.5-127.7-144.6 152.1 -11.2 -29.9 -31.3 43 44 A N > - 0 0 87 -2,-0.3 4,-2.5 35,-0.2 5,-0.1 -0.585 21.9-122.1 -96.6 161.4 -13.9 -31.7 -29.4 44 45 A K H > S+ 0 0 66 33,-0.4 4,-3.2 2,-0.2 5,-0.2 0.980 110.6 48.2 -65.8 -56.8 -15.7 -34.9 -30.5 45 46 A S H > S+ 0 0 91 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.927 114.7 47.5 -50.4 -47.9 -19.2 -33.5 -30.5 46 47 A E H >> S+ 0 0 75 1,-0.2 4,-1.4 2,-0.2 3,-0.7 0.967 111.0 50.8 -59.4 -50.7 -18.1 -30.5 -32.4 47 48 A F H >X S+ 0 0 17 -4,-2.5 4,-2.1 1,-0.3 3,-0.6 0.913 103.5 59.2 -53.6 -45.3 -16.2 -32.6 -34.9 48 49 A Q H 3X S+ 0 0 58 -4,-3.2 4,-1.3 1,-0.3 -1,-0.3 0.897 101.6 55.4 -52.1 -40.3 -19.3 -34.7 -35.5 49 50 A K H << S+ 0 0 161 -4,-1.5 -1,-0.3 -3,-0.7 -2,-0.2 0.889 105.9 52.1 -61.0 -38.1 -21.1 -31.6 -36.6 50 51 A I H XX S+ 0 0 29 -4,-1.4 3,-2.3 -3,-0.6 4,-1.7 0.960 108.0 48.4 -64.1 -51.1 -18.4 -31.0 -39.2 51 52 A Y H 3X S+ 0 0 9 -4,-2.1 4,-0.9 1,-0.3 -1,-0.2 0.762 107.8 58.7 -61.4 -21.4 -18.7 -34.5 -40.7 52 53 A K H 3< S+ 0 0 152 -4,-1.3 -1,-0.3 -5,-0.3 -2,-0.2 0.508 108.2 45.7 -85.8 -2.4 -22.4 -33.9 -40.8 53 54 A Q H <4 S+ 0 0 128 -3,-2.3 -2,-0.2 -4,-0.2 -1,-0.1 0.748 118.3 33.1-109.2 -32.7 -22.0 -30.8 -42.9 54 55 A F H < S- 0 0 59 -4,-1.7 -3,-0.1 1,-0.1 -32,-0.1 0.849 136.1 -9.6 -95.5 -38.1 -19.5 -31.8 -45.7 55 56 A F < + 0 0 23 -4,-0.9 2,-2.2 -5,-0.3 3,-0.3 -0.300 55.5 175.8-164.8 74.7 -20.2 -35.5 -46.3 56 57 A P + 0 0 72 0, 0.0 -4,-0.1 0, 0.0 -5,-0.0 -0.457 32.2 139.0 -78.7 68.2 -22.5 -37.5 -44.0 57 58 A F + 0 0 161 -2,-2.2 -39,-0.1 -6,-0.1 -5,-0.0 0.976 67.7 6.9 -77.6 -73.5 -22.4 -40.7 -45.9 58 59 A G S S- 0 0 46 -3,-0.3 3,-0.1 -41,-0.2 -40,-0.0 0.385 117.7 -40.9 -84.2-137.6 -22.2 -43.5 -43.4 59 60 A D >> - 0 0 112 1,-0.1 4,-1.8 2,-0.0 3,-0.6 -0.845 43.4-162.8 -98.7 113.8 -22.5 -43.1 -39.6 60 61 A P H 3> S+ 0 0 33 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.757 91.6 59.4 -64.6 -23.6 -20.6 -40.0 -38.3 61 62 A S H 3> S+ 0 0 60 2,-0.2 4,-2.0 1,-0.1 5,-0.1 0.845 103.6 51.2 -74.2 -31.7 -20.7 -41.4 -34.8 62 63 A A H <> S+ 0 0 45 -3,-0.6 4,-1.2 2,-0.2 -1,-0.1 0.979 108.9 47.7 -68.4 -55.3 -18.8 -44.5 -36.0 63 64 A F H >X S+ 0 0 16 -4,-1.8 4,-2.1 1,-0.2 3,-0.8 0.900 110.3 55.9 -52.5 -39.9 -16.0 -42.6 -37.6 64 65 A A H 3X S+ 0 0 1 -4,-1.6 4,-2.1 1,-0.3 5,-0.3 0.954 100.4 55.5 -58.4 -50.7 -15.8 -40.5 -34.5 65 66 A E H 3X S+ 0 0 115 -4,-2.0 4,-1.2 1,-0.2 -1,-0.3 0.768 109.1 53.7 -54.3 -21.5 -15.3 -43.5 -32.3 66 67 A Y H X S+ 0 0 9 -4,-2.1 4,-4.2 1,-0.3 3,-0.7 0.875 115.6 46.4 -42.6 -44.1 -10.5 -41.0 -34.5 68 69 A F H 3X S+ 0 0 37 -4,-2.1 4,-2.1 1,-0.2 -1,-0.3 0.907 103.4 61.3 -68.6 -39.1 -10.6 -41.2 -30.7 69 70 A N H 3< S+ 0 0 133 -4,-1.2 -1,-0.2 -5,-0.3 -2,-0.2 0.727 123.0 23.5 -59.8 -18.2 -9.6 -44.8 -30.8 70 71 A V H << S+ 0 0 23 -4,-1.3 3,-0.2 -3,-0.7 -2,-0.2 0.756 134.3 32.7-113.3 -48.4 -6.4 -43.6 -32.4 71 72 A F H < S+ 0 0 28 -4,-4.2 -3,-0.2 -5,-0.3 2,-0.2 0.452 125.0 44.0 -91.0 0.4 -5.9 -39.9 -31.4 72 73 A D < + 0 0 23 -4,-2.1 -1,-0.2 -5,-0.4 7,-0.1 -0.611 54.3 139.8-147.3 85.6 -7.6 -40.4 -28.0 73 74 A A S S- 0 0 83 -3,-0.2 -1,-0.1 -2,-0.2 -2,-0.1 0.811 94.1 -24.4 -93.2 -35.0 -6.7 -43.4 -25.9 74 75 A D S S+ 0 0 141 1,-0.0 3,-0.1 0, 0.0 -2,-0.1 -0.037 95.4 118.2-174.1 53.8 -6.5 -41.6 -22.5 75 76 A K S > S- 0 0 119 1,-0.1 2,-2.0 3,-0.0 3,-0.7 -0.444 88.1 -93.3-125.1 56.0 -5.8 -37.9 -22.9 76 77 A N T 3 S- 0 0 142 1,-0.2 -1,-0.1 -3,-0.0 -4,-0.0 -0.459 76.5 -62.8 71.9 -82.2 -9.0 -36.3 -21.4 77 78 A G T 3 S+ 0 0 32 -2,-2.0 -33,-0.4 1,-0.1 2,-0.3 0.218 94.6 103.2 165.5 53.4 -11.0 -36.0 -24.6 78 79 A Y < - 0 0 94 -3,-0.7 2,-0.3 -7,-0.2 -35,-0.2 -0.999 35.7-174.1-150.1 146.7 -9.5 -33.6 -27.3 79 80 A I E -A 42 0A 7 -37,-1.9 -37,-2.3 -2,-0.3 2,-0.7 -0.948 30.5-108.6-139.0 160.2 -7.6 -34.0 -30.5 80 81 A D E > -A 41 0A 36 -2,-0.3 4,-0.9 -39,-0.2 -39,-0.2 -0.792 16.3-162.4 -93.4 117.0 -5.9 -31.7 -33.1 81 82 A F H > S+ 0 0 17 -41,-1.0 4,-1.6 -2,-0.7 -1,-0.1 0.656 87.2 67.3 -70.3 -12.9 -7.8 -31.4 -36.3 82 83 A K H > S+ 0 0 53 -42,-0.6 4,-1.8 2,-0.2 3,-0.2 0.974 99.3 44.8 -71.4 -54.5 -4.6 -30.1 -37.9 83 84 A E H > S+ 0 0 23 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.760 109.0 63.0 -61.0 -21.5 -2.6 -33.4 -37.7 84 85 A F H X S+ 0 0 20 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.958 100.7 47.7 -68.8 -50.2 -5.8 -35.0 -38.9 85 86 A I H X S+ 0 0 1 -4,-1.6 4,-1.3 -3,-0.2 -2,-0.2 0.928 110.1 54.2 -56.8 -44.3 -5.8 -33.2 -42.3 86 87 A C H >< S+ 0 0 5 -4,-1.8 3,-0.9 1,-0.3 4,-0.4 0.948 110.9 44.2 -55.6 -49.8 -2.1 -34.1 -42.7 87 88 A A H >X S+ 0 0 5 -4,-2.0 3,-2.0 1,-0.3 4,-0.6 0.829 101.0 71.3 -65.2 -29.0 -2.8 -37.8 -42.2 88 89 A L H >< S+ 0 0 11 -4,-2.3 3,-1.4 1,-0.3 -1,-0.3 0.878 79.7 75.2 -54.2 -37.1 -5.8 -37.4 -44.5 89 90 A S T << S+ 0 0 19 -4,-1.3 3,-0.3 -3,-0.9 -1,-0.3 0.847 88.8 60.2 -44.1 -36.3 -3.3 -37.0 -47.3 90 91 A V T <4 S+ 0 0 46 -3,-2.0 2,-0.8 -4,-0.4 -1,-0.3 0.920 110.2 41.1 -60.2 -42.8 -2.8 -40.8 -46.9 91 92 A T S << S+ 0 0 20 -3,-1.4 -1,-0.3 -4,-0.6 2,-0.2 -0.777 98.6 85.8-109.2 88.7 -6.5 -41.4 -47.7 92 93 A S S S- 0 0 62 -2,-0.8 2,-0.3 -3,-0.3 -72,-0.1 -0.787 70.9 -99.8-156.5-160.1 -7.5 -39.1 -50.5 93 94 A R + 0 0 165 -2,-0.2 2,-0.3 -72,-0.1 -70,-0.1 -0.853 66.6 75.8-145.1 106.7 -7.7 -38.6 -54.3 94 95 A G S S- 0 0 40 -2,-0.3 -2,-0.1 1,-0.0 2,-0.0 -0.953 73.3 -59.9-178.8-164.7 -5.1 -36.6 -56.2 95 96 A E - 0 0 127 -2,-0.3 4,-0.4 1,-0.1 -1,-0.0 -0.151 46.0-107.5 -89.9-170.3 -1.6 -36.5 -57.6 96 97 A L S > S+ 0 0 70 2,-0.2 4,-1.3 1,-0.1 3,-0.4 0.848 114.2 54.7 -88.8 -37.9 1.7 -36.8 -55.8 97 98 A N H > S+ 0 0 93 1,-0.2 4,-1.9 2,-0.2 5,-0.2 0.881 103.2 58.1 -63.6 -35.9 2.8 -33.2 -56.1 98 99 A D H > S+ 0 0 42 1,-0.2 4,-4.0 2,-0.2 -1,-0.2 0.831 99.3 60.3 -64.0 -30.7 -0.4 -32.0 -54.5 99 100 A K H > S+ 0 0 47 -4,-0.4 4,-3.0 -3,-0.4 5,-0.3 0.986 106.1 43.4 -61.7 -58.3 0.3 -34.1 -51.4 100 101 A L H X S+ 0 0 35 -4,-1.3 4,-1.7 1,-0.2 -1,-0.2 0.915 119.1 46.1 -53.6 -42.6 3.5 -32.3 -50.6 101 102 A I H X S+ 0 0 47 -4,-1.9 4,-2.9 2,-0.2 5,-0.4 0.954 109.5 53.4 -65.5 -49.0 1.8 -29.0 -51.4 102 103 A W H X S+ 0 0 20 -4,-4.0 4,-0.9 1,-0.3 -2,-0.2 0.918 108.9 50.2 -52.3 -44.4 -1.3 -29.9 -49.4 103 104 A A H X S+ 0 0 17 -4,-3.0 4,-1.6 -5,-0.2 -1,-0.3 0.883 110.7 50.7 -63.2 -36.3 0.9 -30.7 -46.4 104 105 A F H X S+ 0 0 18 -4,-1.7 4,-0.6 -5,-0.3 3,-0.3 0.971 108.7 47.8 -66.4 -53.5 2.6 -27.3 -46.8 105 106 A Q H < S+ 0 0 86 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.700 107.4 64.7 -61.2 -14.1 -0.6 -25.3 -47.0 106 107 A L H < S+ 0 0 3 -4,-0.9 -1,-0.2 -5,-0.4 -2,-0.2 0.956 108.6 32.5 -74.1 -51.8 -1.5 -27.3 -44.0 107 108 A Y H < S+ 0 0 25 -4,-1.6 2,-0.3 -3,-0.3 -1,-0.2 0.328 97.1 93.4 -87.7 10.2 1.2 -26.0 -41.6 108 109 A D >< + 0 0 48 -4,-0.6 3,-0.8 1,-0.2 -1,-0.2 -0.189 42.8 119.4 -94.5 43.6 1.1 -22.6 -43.3 109 110 A L T 3 + 0 0 58 -2,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.177 62.1 70.3 -92.4 19.8 -1.5 -21.2 -40.9 110 111 A D T 3 S- 0 0 94 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.215 99.5-126.6-117.2 11.5 1.0 -18.5 -39.8 111 112 A N S < S+ 0 0 159 -3,-0.8 -2,-0.1 1,-0.1 -3,-0.1 0.845 83.9 109.7 44.9 35.3 0.9 -16.5 -43.0 112 113 A N - 0 0 109 2,-0.0 -1,-0.1 0, 0.0 3,-0.1 0.736 68.6-147.2-107.5 -35.3 4.7 -16.9 -43.0 113 114 A G S S+ 0 0 26 1,-0.1 2,-0.4 -9,-0.1 52,-0.4 0.613 73.0 91.5 76.0 9.7 5.3 -19.3 -45.9 114 115 A L - 0 0 66 50,-0.1 2,-0.2 51,-0.0 50,-0.2 -0.931 59.6-161.9-140.9 115.3 8.2 -20.7 -43.9 115 116 A I B -B 163 0B 14 48,-1.6 48,-1.8 -2,-0.4 2,-0.2 -0.573 20.4-118.1 -94.1 160.4 8.0 -23.7 -41.6 116 117 A S > - 0 0 44 46,-0.2 4,-1.6 -2,-0.2 3,-0.3 -0.566 22.4-112.3 -95.2 160.7 10.5 -24.5 -38.9 117 118 A Y H >> S+ 0 0 27 43,-0.8 4,-1.9 44,-0.3 3,-0.6 0.941 117.7 56.4 -54.7 -50.0 12.6 -27.7 -38.7 118 119 A D H 3> S+ 0 0 107 1,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.882 105.1 53.6 -50.8 -39.0 10.8 -28.8 -35.5 119 120 A E H 3> S+ 0 0 14 -3,-0.3 4,-2.4 1,-0.2 -1,-0.3 0.890 103.1 57.1 -64.5 -37.8 7.6 -28.6 -37.5 120 121 A M H X S+ 0 0 0 -4,-1.8 4,-1.6 1,-0.2 3,-0.8 0.951 110.1 45.7 -56.0 -48.8 1.6 -37.0 -37.3 127 128 A I H 3X S+ 0 0 54 -4,-1.6 4,-1.3 1,-0.3 -1,-0.2 0.856 108.5 57.7 -63.3 -32.6 1.5 -39.4 -40.2 128 129 A Y H 3X S+ 0 0 77 -4,-1.9 4,-0.7 -5,-0.2 -1,-0.3 0.758 102.9 55.6 -69.6 -22.6 3.5 -41.9 -38.2 129 130 A K H X< S+ 0 0 89 -4,-1.4 3,-0.9 -3,-0.8 4,-0.3 0.941 108.2 44.2 -75.4 -47.7 0.8 -41.9 -35.6 130 131 A M H >X S+ 0 0 29 -4,-1.6 3,-1.3 1,-0.2 4,-0.6 0.758 102.5 70.3 -68.1 -21.8 -2.1 -42.8 -38.0 131 132 A V H >X S+ 0 0 45 -4,-1.3 3,-0.9 1,-0.3 4,-0.7 0.846 90.5 59.3 -63.9 -32.1 0.3 -45.4 -39.5 132 133 A G H << S+ 0 0 45 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.623 99.6 59.0 -72.2 -10.4 -0.0 -47.5 -36.3 133 134 A S H <4 S+ 0 0 30 -3,-1.3 -1,-0.2 -4,-0.3 -2,-0.2 0.651 119.3 24.3 -91.4 -15.9 -3.8 -47.6 -36.9 134 135 A M H << S+ 0 0 62 -3,-0.9 -128,-0.3 -4,-0.6 -2,-0.1 0.728 123.4 25.4-109.6 -80.1 -3.4 -49.3 -40.3 135 136 A V S < S- 0 0 35 -4,-0.7 2,-0.5 -130,-0.1 -1,-0.3 -0.431 89.2 -97.2 -86.0 164.0 -0.2 -51.2 -40.8 136 137 A K - 0 0 168 -2,-0.1 -4,-0.1 -3,-0.1 -1,-0.1 -0.699 39.5-115.8 -84.4 123.0 1.9 -52.8 -38.0 137 138 A L - 0 0 61 -2,-0.5 -1,-0.1 -5,-0.1 -5,-0.0 -0.361 33.7-132.2 -57.9 124.0 4.8 -50.6 -37.0 138 139 A P - 0 0 66 0, 0.0 -1,-0.1 0, 0.0 -136,-0.0 0.283 9.4-123.4 -60.3-162.8 8.0 -52.5 -37.8 139 140 A E S S+ 0 0 150 3,-0.0 -2,-0.0 1,-0.0 0, 0.0 -0.146 92.8 57.9-143.1 43.7 10.9 -52.8 -35.4 140 141 A D S S+ 0 0 125 0, 0.0 -1,-0.0 0, 0.0 0, 0.0 0.210 93.0 61.2-156.1 15.2 14.0 -51.4 -37.1 141 142 A E + 0 0 103 0, 0.0 2,-0.0 0, 0.0 -2,-0.0 -0.115 65.0 148.8-139.3 38.9 13.1 -47.8 -38.0 142 143 A D + 0 0 111 1,-0.2 -3,-0.0 2,-0.1 0, 0.0 -0.312 57.5 34.4 -72.7 159.7 12.4 -46.1 -34.6 143 144 A T > - 0 0 96 1,-0.1 3,-1.3 2,-0.1 4,-0.4 0.993 66.5-163.8 59.1 65.4 13.1 -42.5 -34.1 144 145 A P T 3> S+ 0 0 37 0, 0.0 4,-2.1 0, 0.0 3,-0.3 0.516 73.3 90.6 -58.6 -2.0 12.3 -41.3 -37.6 145 146 A E H 3> S+ 0 0 88 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.968 75.8 58.6 -60.7 -53.3 14.2 -38.2 -36.7 146 147 A K H <> S+ 0 0 175 -3,-1.3 4,-1.4 1,-0.2 -1,-0.2 0.842 108.0 50.1 -45.3 -35.2 17.5 -39.5 -37.9 147 148 A R H > S+ 0 0 100 -4,-0.4 4,-1.5 -3,-0.3 3,-0.4 0.973 109.8 46.5 -70.4 -54.1 15.8 -39.8 -41.3 148 149 A V H X S+ 0 0 8 -4,-2.1 4,-1.8 1,-0.3 3,-0.3 0.914 109.9 55.9 -54.6 -42.7 14.4 -36.3 -41.4 149 150 A N H X S+ 0 0 58 -4,-3.2 4,-2.9 1,-0.2 -1,-0.3 0.896 100.3 59.7 -57.8 -38.8 17.8 -35.0 -40.3 150 151 A K H X S+ 0 0 124 -4,-1.4 4,-3.2 -3,-0.4 -1,-0.2 0.918 102.5 52.6 -56.6 -43.3 19.3 -36.7 -43.2 151 152 A I H X S+ 0 0 9 -4,-1.5 4,-2.3 -3,-0.3 5,-0.3 0.974 112.6 42.6 -57.4 -54.9 17.1 -34.7 -45.6 152 153 A F H X>S+ 0 0 8 -4,-1.8 5,-1.1 1,-0.3 4,-0.8 0.874 116.4 50.2 -59.5 -34.7 18.2 -31.4 -44.0 153 154 A N H <5S+ 0 0 100 -4,-2.9 -1,-0.3 -5,-0.3 -2,-0.2 0.856 105.3 57.9 -71.2 -33.5 21.7 -32.8 -44.0 154 155 A M H <5S+ 0 0 68 -4,-3.2 -2,-0.2 1,-0.2 -1,-0.2 0.952 114.9 34.9 -60.9 -49.3 21.3 -33.7 -47.6 155 156 A M H <5S- 0 0 60 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.610 112.7-127.0 -80.4 -11.3 20.6 -30.1 -48.6 156 157 A D T <5 + 0 0 133 -4,-0.8 -3,-0.2 -5,-0.3 2,-0.2 0.986 43.9 170.0 62.7 81.4 23.0 -28.9 -45.9 157 158 A K < - 0 0 44 -5,-1.1 -1,-0.1 4,-0.0 6,-0.0 -0.460 53.4 -84.2-112.0-173.7 20.9 -26.5 -43.9 158 159 A N - 0 0 130 -2,-0.2 -5,-0.1 1,-0.1 -6,-0.0 0.147 57.6-118.5 -79.7 24.2 21.4 -24.6 -40.6 159 160 A K S S+ 0 0 139 1,-0.2 -1,-0.1 -7,-0.2 -6,-0.1 0.622 111.4 32.6 50.9 7.1 20.1 -27.8 -38.9 160 161 A D S S+ 0 0 112 2,-0.1 -43,-0.8 -8,-0.1 -1,-0.2 0.364 86.7 118.5-160.2 -23.2 17.4 -25.3 -37.7 161 162 A G - 0 0 27 -45,-0.1 -44,-0.3 1,-0.1 2,-0.2 0.040 68.8 -99.3 -49.0 166.6 16.9 -22.7 -40.5 162 163 A Q - 0 0 113 -46,-0.1 2,-0.3 -45,-0.1 -46,-0.2 -0.532 33.7-148.6 -90.7 160.3 13.4 -22.6 -42.0 163 164 A L B -B 115 0B 23 -48,-1.8 -48,-1.6 -2,-0.2 2,-0.3 -0.884 4.8-134.2-127.5 160.1 12.4 -24.2 -45.4 164 165 A T > - 0 0 47 -2,-0.3 4,-4.4 -50,-0.2 5,-0.3 -0.730 28.9-106.6-111.6 161.6 9.9 -23.3 -48.1 165 166 A L H > S+ 0 0 22 -52,-0.4 4,-2.8 -2,-0.3 5,-0.3 0.961 119.3 49.4 -46.7 -65.5 7.4 -25.5 -50.0 166 167 A E H > S+ 0 0 135 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.905 118.9 38.5 -40.9 -57.4 9.4 -25.5 -53.2 167 168 A E H > S+ 0 0 87 1,-0.2 4,-2.5 2,-0.2 3,-0.4 0.932 110.2 59.8 -64.2 -45.3 12.6 -26.5 -51.3 168 169 A F H X S+ 0 0 24 -4,-4.4 4,-1.5 1,-0.3 -1,-0.2 0.907 107.2 47.9 -50.1 -41.8 10.8 -28.8 -49.0 169 170 A C H X S+ 0 0 32 -4,-2.8 4,-1.7 -5,-0.3 -1,-0.3 0.858 108.4 55.1 -68.2 -33.0 9.7 -30.8 -52.0 170 171 A E H X S+ 0 0 78 -4,-1.4 4,-1.6 -3,-0.4 -2,-0.2 0.880 103.2 55.0 -67.6 -37.0 13.2 -30.7 -53.3 171 172 A G H < S+ 0 0 1 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.911 111.6 44.0 -63.0 -40.2 14.5 -32.3 -50.1 172 173 A S H >< S+ 0 0 6 -4,-1.5 3,-1.5 -5,-0.2 6,-0.3 0.798 104.0 66.3 -74.7 -27.3 12.1 -35.2 -50.5 173 174 A K H 3< S+ 0 0 143 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.935 96.1 53.6 -59.6 -46.3 12.9 -35.5 -54.2 174 175 A R T 3< S+ 0 0 182 -4,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.533 109.6 58.6 -66.8 -0.9 16.4 -36.6 -53.5 175 176 A D X + 0 0 29 -3,-1.5 3,-1.8 -5,-0.1 4,-0.5 -0.762 59.5 177.4-132.5 88.1 14.7 -39.2 -51.4 176 177 A P T >> S+ 0 0 88 0, 0.0 4,-2.8 0, 0.0 3,-1.4 0.738 74.6 80.4 -61.0 -22.1 12.3 -41.4 -53.3 177 178 A T H 3> S+ 0 0 64 1,-0.3 4,-1.3 2,-0.3 -4,-0.1 0.860 93.5 48.8 -54.2 -32.0 11.7 -43.4 -50.2 178 179 A I H <4 S+ 0 0 66 -3,-1.8 4,-0.4 -6,-0.3 -1,-0.3 0.707 112.8 48.5 -78.8 -18.7 9.4 -40.6 -49.3 179 180 A V H <> S+ 0 0 53 -3,-1.4 4,-0.8 -4,-0.5 -2,-0.3 0.712 111.3 48.5 -90.8 -24.1 7.9 -41.0 -52.7 180 181 A S H X S+ 0 0 46 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.716 92.7 77.6 -87.8 -21.5 7.6 -44.7 -52.4 181 182 A A H < S+ 0 0 65 -4,-1.3 -1,-0.2 -5,-0.3 -2,-0.1 0.900 106.0 33.4 -53.9 -41.5 5.9 -44.5 -49.0 182 183 A L H 4 S+ 0 0 49 -4,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.811 112.2 61.8 -84.7 -31.1 2.7 -43.5 -50.7 183 184 A S H >< S+ 0 0 76 -4,-0.8 2,-2.1 1,-0.3 3,-1.0 0.798 83.1 82.1 -64.9 -26.0 3.2 -45.6 -53.8 184 185 A L T 3< S+ 0 0 139 -4,-2.1 -1,-0.3 1,-0.3 -3,-0.1 -0.009 95.2 46.1 -70.7 39.0 3.3 -48.7 -51.6 185 186 A Y T 3 S+ 0 0 75 -2,-2.1 -1,-0.3 -3,-0.3 2,-0.2 0.051 79.5 100.1-171.2 42.7 -0.5 -48.6 -51.8 186 187 A D < + 0 0 106 -3,-1.0 -1,-0.1 1,-0.1 -3,-0.0 -0.583 69.9 55.3-137.1 74.4 -1.7 -48.0 -55.4 187 188 A G S S+ 0 0 75 -2,-0.2 -1,-0.1 -3,-0.1 -3,-0.0 0.285 93.9 60.4 177.4 12.9 -2.8 -51.3 -57.0 188 189 A L 0 0 68 -3,-0.1 -2,-0.0 0, 0.0 0, 0.0 -0.026 360.0 360.0-144.0 33.9 -5.5 -52.8 -54.7 189 190 A V 0 0 152 -176,-0.0 -176,-0.1 0, 0.0 -3,-0.0 -0.114 360.0 360.0-102.7 360.0 -8.2 -50.2 -54.7