==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 02-AUG-95 1CFC . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR H.KUBONIWA,N.TJANDRA,S.GRZESIEK,H.REN,C.B.KLEE,A.BAX . 148 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 98 66.2 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 . 7 4.7 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 . 1 0.7 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 . 6 4.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 65 43.9 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 0 0 0 1 1 0 2 3 1 0 0 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 . 0 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 ANTIPARALLEL BRIDGES PER LADDER . 2 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 A 0 0 106 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-100.2 14.4 13.4 -9.4 2 2 A D + 0 0 49 2,-0.1 2,-0.1 78,-0.1 77,-0.1 0.258 360.0 127.5 -81.5 17.6 11.3 12.5 -7.3 3 3 A Q S S- 0 0 152 1,-0.1 2,-0.4 74,-0.0 74,-0.0 -0.435 74.0 -98.9 -73.7 147.9 11.2 9.3 -9.3 4 4 A L - 0 0 50 -2,-0.1 -1,-0.1 4,-0.1 -2,-0.1 -0.510 40.0-135.5 -68.9 123.1 11.0 6.0 -7.3 5 5 A T > - 0 0 52 -2,-0.4 4,-2.0 1,-0.1 5,-0.2 -0.358 23.9-107.2 -75.2 160.2 14.5 4.5 -7.2 6 6 A E H > S+ 0 0 164 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.848 122.3 51.6 -57.9 -29.4 15.0 0.8 -7.8 7 7 A E H >> S+ 0 0 100 2,-0.2 4,-3.1 1,-0.2 3,-0.7 0.972 104.4 52.5 -73.0 -53.1 15.6 0.4 -4.1 8 8 A Q H 3> S+ 0 0 14 1,-0.3 4,-1.9 2,-0.2 5,-0.2 0.891 108.9 53.3 -50.6 -36.8 12.5 2.3 -2.9 9 9 A I H 3X S+ 0 0 56 -4,-2.0 4,-1.2 2,-0.2 -1,-0.3 0.895 111.5 45.1 -67.3 -35.7 10.6 -0.1 -5.2 10 10 A A H < S+ 0 0 7 -4,-2.0 3,-0.8 -5,-0.2 -1,-0.2 0.874 107.9 49.2 -73.5 -35.8 4.2 -5.9 0.5 17 17 A S H >< S+ 0 0 64 -4,-2.2 3,-2.7 1,-0.2 -2,-0.2 0.855 92.2 76.2 -72.7 -32.7 5.2 -9.6 0.6 18 18 A L T 3< S+ 0 0 107 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.797 109.6 31.4 -49.0 -26.2 5.1 -9.7 4.4 19 19 A F T < S+ 0 0 43 -3,-0.8 2,-1.1 -4,-0.4 9,-0.3 0.151 90.4 103.7-119.7 20.0 1.3 -9.8 4.0 20 20 A D X + 0 0 28 -3,-2.7 3,-1.1 1,-0.2 5,-0.2 -0.563 32.1 150.5 -99.8 69.5 1.0 -11.7 0.6 21 21 A K T 3 + 0 0 152 -2,-1.1 -1,-0.2 1,-0.2 6,-0.1 0.468 64.2 68.2 -80.1 0.9 -0.1 -15.1 2.1 22 22 A D T 3 S- 0 0 110 4,-0.4 -1,-0.2 -3,-0.1 -2,-0.1 0.381 95.5-135.8 -99.6 3.9 -2.0 -15.8 -1.2 23 23 A G S < S+ 0 0 72 -3,-1.1 -2,-0.1 1,-0.2 -3,-0.0 0.764 79.8 112.0 49.2 18.4 1.2 -16.1 -3.3 24 24 A D S S- 0 0 110 2,-0.3 -1,-0.2 40,-0.0 3,-0.1 0.411 91.7-115.6 -99.9 1.2 -0.9 -13.9 -5.7 25 25 A G S S+ 0 0 39 1,-0.3 40,-1.1 -5,-0.2 2,-0.3 0.819 84.3 100.6 70.8 26.3 1.3 -10.9 -5.3 26 26 A T E -A 64 0A 21 38,-0.2 -4,-0.4 39,-0.1 2,-0.3 -0.906 53.8-156.4-137.8 167.4 -1.7 -9.0 -3.7 27 27 A I E -A 63 0A 2 36,-2.4 36,-2.6 -2,-0.3 2,-0.1 -0.936 24.9-105.0-140.1 163.1 -2.9 -8.1 -0.2 28 28 A T E > -A 62 0A 40 -9,-0.3 3,-0.7 -2,-0.3 34,-0.2 -0.428 29.0-114.9 -86.2 167.2 -6.3 -7.2 1.4 29 29 A T G >> S+ 0 0 37 32,-1.7 3,-1.8 1,-0.2 4,-0.6 0.837 114.6 65.1 -69.7 -29.9 -7.4 -3.7 2.4 30 30 A K G 34 S+ 0 0 169 31,-0.3 4,-0.3 1,-0.3 -1,-0.2 0.800 104.0 46.6 -63.8 -24.8 -7.5 -4.8 6.0 31 31 A E G <> S+ 0 0 48 -3,-0.7 4,-1.7 1,-0.1 -1,-0.3 0.261 88.9 90.7 -99.9 13.0 -3.7 -5.3 5.8 32 32 A L H <> S+ 0 0 1 -3,-1.8 4,-2.3 2,-0.2 5,-0.2 0.969 89.0 42.8 -73.3 -51.6 -3.1 -1.9 4.0 33 33 A G H X S+ 0 0 15 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.812 112.6 57.4 -64.6 -25.2 -2.6 0.2 7.2 34 34 A T H > S+ 0 0 62 -4,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.926 107.7 44.6 -72.6 -41.3 -0.4 -2.7 8.5 35 35 A V H X S+ 0 0 0 -4,-1.7 4,-1.2 2,-0.2 3,-0.3 0.943 114.1 49.7 -67.7 -43.8 2.0 -2.6 5.6 36 36 A M H <>S+ 0 0 4 -4,-2.3 5,-2.3 1,-0.2 3,-0.4 0.907 108.7 53.3 -61.8 -38.3 2.1 1.2 5.7 37 37 A R H ><5S+ 0 0 172 -4,-1.9 3,-1.2 -5,-0.2 -1,-0.2 0.831 100.3 62.1 -67.6 -27.3 2.8 1.0 9.5 38 38 A S H 3<5S+ 0 0 60 -4,-1.4 -1,-0.2 -3,-0.3 -2,-0.2 0.880 102.4 50.2 -65.9 -33.5 5.7 -1.4 8.7 39 39 A L T 3<5S- 0 0 53 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.488 127.7-102.3 -82.7 0.7 7.4 1.5 6.7 40 40 A G T < 5S+ 0 0 64 -3,-1.2 2,-0.3 1,-0.3 -3,-0.2 0.676 79.9 135.1 88.7 17.4 6.9 3.8 9.8 41 41 A Q < - 0 0 77 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.783 34.5-170.6 -99.8 142.6 3.8 5.6 8.2 42 42 A N + 0 0 134 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 -0.547 9.5 175.8-134.1 74.1 0.7 6.2 10.4 43 43 A P - 0 0 17 0, 0.0 -6,-0.0 0, 0.0 -2,-0.0 -0.436 37.2-107.2 -73.3 148.2 -2.2 7.5 8.2 44 44 A T > - 0 0 81 -2,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.216 31.0-105.1 -69.9 169.7 -5.5 8.0 10.1 45 45 A E H > S+ 0 0 156 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.903 122.5 51.2 -64.7 -38.1 -8.3 5.5 9.5 46 46 A A H > S+ 0 0 54 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.928 106.4 53.8 -67.3 -39.6 -10.2 8.1 7.4 47 47 A E H > S+ 0 0 106 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.928 113.9 43.8 -60.0 -39.1 -7.1 8.8 5.3 48 48 A L H X S+ 0 0 25 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.946 112.4 50.3 -70.7 -47.3 -7.0 5.0 4.6 49 49 A Q H X S+ 0 0 124 -4,-3.1 4,-1.7 1,-0.2 -1,-0.2 0.781 107.8 57.0 -63.5 -23.1 -10.7 4.7 4.0 50 50 A D H X S+ 0 0 97 -4,-2.0 4,-1.2 -5,-0.2 -1,-0.2 0.955 109.8 40.9 -74.2 -48.4 -10.5 7.6 1.5 51 51 A M H X S+ 0 0 49 -4,-1.6 4,-2.7 1,-0.2 5,-0.3 0.877 113.5 56.3 -67.2 -33.4 -7.8 6.0 -0.7 52 52 A I H X S+ 0 0 39 -4,-2.3 4,-3.4 1,-0.2 -1,-0.2 0.926 99.9 57.9 -64.5 -42.6 -9.7 2.6 -0.4 53 53 A N H < S+ 0 0 135 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.881 113.2 40.8 -57.2 -34.1 -12.9 4.1 -1.7 54 54 A E H >< S+ 0 0 150 -4,-1.2 3,-0.5 -3,-0.2 -2,-0.2 0.904 121.3 40.2 -80.7 -43.1 -11.0 5.1 -4.9 55 55 A V H >< S+ 0 0 33 -4,-2.7 3,-1.0 1,-0.2 2,-0.4 0.788 102.5 71.3 -76.2 -25.5 -9.0 1.9 -5.2 56 56 A D T 3< + 0 0 64 -4,-3.4 -1,-0.2 -5,-0.3 -2,-0.1 0.020 65.8 109.9 -79.8 33.4 -12.0 -0.2 -4.2 57 57 A A T < S+ 0 0 89 -3,-0.5 -1,-0.2 -2,-0.4 -2,-0.1 0.772 72.3 54.7 -80.1 -25.5 -13.4 0.7 -7.6 58 58 A D S < S- 0 0 127 -3,-1.0 -1,-0.2 4,-0.1 -2,-0.1 0.708 105.6-130.9 -79.9 -18.9 -12.9 -2.9 -8.7 59 59 A G S S+ 0 0 61 -4,-0.2 -3,-0.1 3,-0.1 -2,-0.1 0.750 76.5 117.3 75.9 21.1 -15.0 -4.1 -5.7 60 60 A N - 0 0 61 2,-0.2 3,-0.1 -32,-0.0 -4,-0.1 0.428 68.8-141.9 -99.8 1.5 -12.3 -6.7 -4.9 61 61 A G + 0 0 23 1,-0.2 -32,-1.7 -33,-0.1 -31,-0.3 0.813 69.5 103.3 43.8 29.3 -11.4 -5.1 -1.5 62 62 A T E -A 28 0A 45 -34,-0.2 2,-0.4 -7,-0.2 -34,-0.2 -0.859 60.0-146.0-133.8 169.7 -7.8 -6.0 -2.4 63 63 A I E -A 27 0A 2 -36,-2.6 -36,-2.4 -2,-0.3 2,-0.2 -0.998 7.8-149.9-140.2 136.3 -4.7 -4.2 -3.6 64 64 A D E > -A 26 0A 50 -2,-0.4 4,-1.8 -38,-0.2 -38,-0.2 -0.564 33.4-104.4 -99.9 166.3 -1.9 -5.4 -6.0 65 65 A F H > S+ 0 0 22 -40,-1.1 4,-2.4 2,-0.2 5,-0.2 0.920 117.1 55.4 -60.7 -43.5 1.8 -4.2 -5.8 66 66 A P H > S+ 0 0 81 0, 0.0 4,-1.2 0, 0.0 3,-0.4 0.970 111.6 43.9 -54.8 -52.9 1.6 -1.9 -8.9 67 67 A E H > S+ 0 0 73 1,-0.2 4,-1.0 2,-0.2 3,-0.3 0.872 109.8 58.3 -60.2 -31.4 -1.3 0.0 -7.4 68 68 A F H >X S+ 0 0 0 -4,-1.8 4,-1.7 1,-0.2 3,-0.7 0.915 101.8 53.7 -65.6 -37.0 0.6 -0.0 -4.1 69 69 A L H 3X S+ 0 0 35 -4,-2.4 4,-1.4 -3,-0.4 -1,-0.2 0.806 104.6 56.4 -66.6 -24.4 3.5 1.8 -5.9 70 70 A T H 3X S+ 0 0 84 -4,-1.2 4,-1.1 -3,-0.3 -1,-0.2 0.755 103.7 54.1 -78.8 -21.4 0.8 4.4 -6.9 71 71 A M H S+ 0 0 113 -3,-0.4 3,-1.5 -4,-0.3 -3,-0.1 0.659 100.1 8.7 -94.1-104.5 6.0 12.9 -5.2 78 78 A D T 3 S+ 0 0 145 1,-0.3 -2,-0.1 -4,-0.1 -1,-0.1 0.616 138.1 50.6 -52.3 -6.6 6.1 16.7 -5.2 79 79 A T T 3 S+ 0 0 75 -4,-0.2 -1,-0.3 -77,-0.1 -2,-0.2 -0.260 81.1 174.5-126.8 46.6 7.0 16.3 -1.5 80 80 A D < - 0 0 8 -3,-1.5 3,-0.4 1,-0.2 4,-0.3 0.072 44.2-116.1 -45.0 167.6 9.9 13.8 -1.6 81 81 A S S >> S+ 0 0 48 1,-0.2 4,-1.7 -5,-0.2 3,-1.3 0.719 111.8 75.0 -82.0 -19.7 11.5 13.0 1.7 82 82 A E H 3> S+ 0 0 50 1,-0.3 4,-2.6 2,-0.2 5,-0.3 0.857 87.6 59.0 -60.0 -33.7 14.6 14.5 0.2 83 83 A E H 3> S+ 0 0 61 -3,-0.4 4,-1.0 1,-0.2 -1,-0.3 0.744 104.6 52.5 -69.3 -19.9 13.1 18.0 0.6 84 84 A E H <> S+ 0 0 123 -3,-1.3 4,-0.9 -4,-0.3 -2,-0.2 0.901 113.6 39.6 -82.8 -42.9 12.9 17.3 4.4 85 85 A I H X S+ 0 0 6 -4,-1.7 4,-3.0 2,-0.2 5,-0.3 0.917 116.3 50.8 -73.5 -42.0 16.5 16.3 4.8 86 86 A R H X S+ 0 0 120 -4,-2.6 4,-1.7 1,-0.2 -1,-0.2 0.931 108.9 51.4 -63.3 -41.1 17.8 19.0 2.5 87 87 A E H X S+ 0 0 104 -4,-1.0 4,-1.5 -5,-0.3 -1,-0.2 0.810 111.2 49.9 -67.6 -22.3 15.8 21.7 4.3 88 88 A A H X S+ 0 0 16 -4,-0.9 4,-0.9 2,-0.2 -2,-0.2 0.937 107.3 50.9 -79.3 -46.0 17.3 20.4 7.5 89 89 A F H X S+ 0 0 0 -4,-3.0 4,-0.6 1,-0.2 3,-0.4 0.848 106.6 59.1 -59.3 -24.7 20.8 20.6 6.1 90 90 A R H >< S+ 0 0 136 -4,-1.7 3,-2.0 -5,-0.3 -1,-0.2 0.961 97.1 56.6 -67.7 -46.6 19.8 24.1 5.3 91 91 A V H 3< S+ 0 0 101 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.747 110.4 49.0 -53.6 -20.7 19.1 24.8 8.9 92 92 A F H 3< S+ 0 0 39 -4,-0.9 2,-1.6 -3,-0.4 -1,-0.3 0.570 87.2 85.3 -99.8 -8.3 22.8 23.8 9.3 93 93 A D X< + 0 0 21 -3,-2.0 3,-2.0 -4,-0.6 -1,-0.2 -0.497 48.7 162.2 -90.2 68.0 24.1 26.0 6.4 94 94 A K T 3 S+ 0 0 163 -2,-1.6 -1,-0.2 1,-0.3 6,-0.1 0.730 75.8 51.5 -61.4 -19.8 24.6 29.1 8.7 95 95 A D T 3 S- 0 0 126 4,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.349 101.4-133.1 -99.4 6.5 26.9 30.5 6.0 96 96 A G S < S+ 0 0 65 -3,-2.0 -2,-0.1 -6,-0.2 -3,-0.1 0.841 75.5 119.3 47.1 29.0 24.4 30.0 3.1 97 97 A N S S- 0 0 101 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.636 82.4-118.5 -99.3 -15.4 27.5 28.5 1.4 98 98 A G S S+ 0 0 13 1,-0.2 40,-0.4 -9,-0.1 2,-0.4 0.576 84.2 92.3 90.2 6.9 26.2 24.9 0.8 99 99 A Y + 0 0 114 38,-0.2 2,-0.3 39,-0.1 -2,-0.3 -0.994 45.2 172.1-137.2 142.8 28.9 23.4 3.0 100 100 A I E -B 136 0B 5 36,-1.5 36,-2.1 -2,-0.4 2,-0.2 -0.925 43.6 -84.6-140.4 165.4 29.2 22.5 6.7 101 101 A S E > -B 135 0B 40 -2,-0.3 4,-1.9 34,-0.2 3,-0.5 -0.502 43.3-112.6 -73.7 139.9 31.7 20.6 8.8 102 102 A A H > S+ 0 0 25 32,-0.9 4,-3.3 1,-0.2 5,-0.3 0.824 119.1 58.6 -41.1 -34.0 31.2 16.7 8.8 103 103 A A H > S+ 0 0 67 1,-0.2 4,-3.0 2,-0.2 5,-0.3 0.990 104.9 45.8 -63.3 -55.2 30.3 17.1 12.5 104 104 A E H > S+ 0 0 69 -3,-0.5 4,-1.9 1,-0.2 -1,-0.2 0.803 115.2 52.3 -57.4 -24.3 27.4 19.5 11.7 105 105 A L H X S+ 0 0 2 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.950 109.5 43.9 -78.5 -49.8 26.5 17.0 9.0 106 106 A R H X S+ 0 0 116 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.884 115.2 53.1 -62.3 -32.1 26.5 13.9 11.1 107 107 A H H X S+ 0 0 97 -4,-3.0 4,-3.2 -5,-0.3 5,-0.5 0.938 101.5 56.9 -69.2 -43.9 24.5 16.1 13.6 108 108 A V H X S+ 0 0 1 -4,-1.9 4,-0.9 -5,-0.3 -1,-0.2 0.893 110.0 47.6 -53.1 -38.1 21.9 17.1 11.0 109 109 A M H <>S+ 0 0 0 -4,-1.7 5,-0.9 2,-0.2 4,-0.3 0.821 117.1 40.9 -75.7 -30.3 21.3 13.3 10.5 110 110 A T H ><5S+ 0 0 61 -4,-1.4 3,-1.4 -3,-0.4 -2,-0.2 0.903 112.0 52.0 -85.3 -44.2 21.1 12.6 14.3 111 111 A N H 3<5S+ 0 0 113 -4,-3.2 -3,-0.2 1,-0.3 -2,-0.2 0.830 97.5 70.0 -62.3 -27.9 19.0 15.7 15.4 112 112 A L T 3<5S- 0 0 73 -4,-0.9 -1,-0.3 -5,-0.5 -2,-0.2 0.816 110.0-122.7 -60.0 -26.7 16.5 14.8 12.7 113 113 A G T < 5 + 0 0 64 -3,-1.4 2,-0.2 -4,-0.3 -3,-0.1 0.793 52.2 162.8 88.2 30.7 15.5 11.8 14.8 114 114 A E < - 0 0 99 -5,-0.9 2,-1.4 -4,-0.1 -1,-0.2 -0.507 52.4-115.8 -79.8 151.3 16.2 9.3 12.0 115 115 A K + 0 0 199 -2,-0.2 2,-0.2 2,-0.0 -1,-0.1 -0.067 68.3 144.8 -79.5 42.9 16.6 5.6 13.0 116 116 A L - 0 0 32 -2,-1.4 2,-0.3 -7,-0.3 -3,-0.0 -0.581 41.9-144.2 -81.8 143.0 20.2 5.9 11.8 117 117 A T >> - 0 0 58 -2,-0.2 4,-1.7 1,-0.1 3,-0.6 -0.816 22.4-119.6-106.3 146.1 23.0 4.0 13.7 118 118 A D H 3> S+ 0 0 73 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.812 115.1 57.7 -55.1 -26.2 26.5 5.5 14.2 119 119 A E H 3> S+ 0 0 126 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.914 101.8 52.4 -73.0 -40.8 27.8 2.5 12.2 120 120 A E H <> S+ 0 0 98 -3,-0.6 4,-2.0 1,-0.2 3,-0.5 0.934 109.7 48.9 -62.0 -42.8 25.7 3.2 9.1 121 121 A V H X S+ 0 0 5 -4,-1.7 4,-2.5 1,-0.2 5,-0.3 0.919 103.6 60.7 -64.4 -39.1 26.9 6.8 8.9 122 122 A D H X S+ 0 0 83 -4,-1.5 4,-1.0 -5,-0.3 -1,-0.2 0.869 107.0 47.0 -56.9 -31.7 30.5 5.5 9.3 123 123 A E H X S+ 0 0 93 -4,-1.3 4,-1.2 -3,-0.5 3,-0.3 0.913 110.8 50.0 -76.4 -40.8 29.9 3.6 6.0 124 124 A M H X S+ 0 0 15 -4,-2.0 4,-0.9 1,-0.2 -2,-0.2 0.800 108.9 54.6 -67.4 -24.5 28.3 6.6 4.3 125 125 A I H <>S+ 0 0 50 -4,-2.5 5,-0.7 -5,-0.2 -1,-0.2 0.807 98.4 63.5 -78.7 -28.7 31.4 8.6 5.4 126 126 A R H <5S+ 0 0 177 -4,-1.0 -2,-0.2 -3,-0.3 -1,-0.2 0.965 111.9 33.3 -61.9 -51.5 33.8 6.2 3.8 127 127 A E H <5S+ 0 0 154 -4,-1.2 2,-1.6 1,-0.2 -1,-0.2 0.754 106.7 75.5 -79.4 -18.1 32.6 6.8 0.2 128 128 A A T <5S- 0 0 13 -4,-0.9 2,-0.8 -5,-0.2 -1,-0.2 -0.623 91.8-136.9 -90.6 79.2 31.9 10.5 1.0 129 129 A D T 5 + 0 0 133 -2,-1.6 -3,-0.1 1,-0.2 4,-0.1 -0.040 34.7 172.5 -39.0 81.2 35.5 11.6 1.0 130 130 A I < + 0 0 31 -2,-0.8 -1,-0.2 -5,-0.7 -28,-0.2 0.440 60.9 54.2 -81.1 2.8 35.0 13.6 4.1 131 131 A D + 0 0 132 1,-0.1 2,-0.5 2,-0.1 3,-0.4 -0.203 69.9 75.1-114.0-155.3 38.7 14.3 4.3 132 132 A G S S+ 0 0 72 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.1 0.191 122.2 19.3 68.9 -26.6 41.0 15.7 1.7 133 133 A D S S- 0 0 149 -2,-0.5 -1,-0.3 -4,-0.1 -2,-0.1 0.397 91.4-123.1-133.1 -83.4 39.4 19.0 2.6 134 134 A G S S+ 0 0 40 1,-0.5 -32,-0.9 -3,-0.4 2,-0.3 0.054 84.1 60.2 152.7 -28.4 37.5 19.4 6.0 135 135 A Q E -B 101 0B 112 -34,-0.2 -1,-0.5 -4,-0.1 2,-0.3 -0.911 60.6-168.3-124.0 150.8 33.9 20.4 4.9 136 136 A V E -B 100 0B 24 -36,-2.1 -36,-1.5 -2,-0.3 -6,-0.1 -0.990 21.6-119.6-139.0 150.0 31.4 18.5 2.7 137 137 A N - 0 0 30 -2,-0.3 4,-0.3 -38,-0.2 -38,-0.2 -0.316 18.5-137.7 -79.8 170.1 28.1 19.4 1.0 138 138 A Y S > S+ 0 0 26 -40,-0.4 4,-3.3 2,-0.1 3,-0.4 0.747 83.3 87.9-102.8 -29.6 25.0 17.4 2.0 139 139 A E H > S+ 0 0 121 1,-0.3 4,-1.6 2,-0.2 5,-0.2 0.857 97.4 45.6 -39.8 -39.1 23.3 16.8 -1.4 140 140 A E H > S+ 0 0 108 1,-0.2 4,-1.1 2,-0.2 -1,-0.3 0.934 115.6 44.4 -72.5 -43.8 25.4 13.7 -1.7 141 141 A F H > S+ 0 0 0 -3,-0.4 4,-1.7 -4,-0.3 -2,-0.2 0.770 108.8 60.0 -72.0 -22.5 24.7 12.6 1.9 142 142 A V H X S+ 0 0 6 -4,-3.3 4,-1.4 1,-0.2 -2,-0.2 0.966 104.5 46.6 -70.1 -49.5 21.0 13.4 1.4 143 143 A Q H X S+ 0 0 108 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.815 111.0 55.7 -62.0 -27.6 20.6 10.9 -1.4 144 144 A M H < S+ 0 0 41 -4,-1.1 4,-0.4 1,-0.2 -1,-0.2 0.911 104.8 49.8 -73.7 -40.6 22.4 8.3 0.7 145 145 A M H < S+ 0 0 37 -4,-1.7 -1,-0.2 1,-0.1 -2,-0.2 0.801 113.0 50.1 -68.9 -24.3 20.1 8.6 3.7 146 146 A T H < S- 0 0 35 -4,-1.4 -2,-0.2 1,-0.2 2,-0.2 0.978 134.0 -49.1 -76.4 -60.4 17.1 8.2 1.3 147 147 A A < 0 0 16 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.1 -0.637 360.0 360.0-179.7 115.9 18.3 5.1 -0.6 148 148 A K 0 0 171 -4,-0.4 -4,-0.1 -2,-0.2 -5,-0.0 -0.381 360.0 360.0 -54.8 360.0 21.6 4.3 -2.2