==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-SEP-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 27-OCT-11 3UCT . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR F.T.SENGUEN,Z.GRABAREK . 148 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8996.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 100 67.6 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 . 8 5.4 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 . 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 . 4 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 48.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 0 0 2 3 0 2 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 0 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 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 2 A D 0 0 207 0, 0.0 3,-0.1 0, 0.0 74,-0.1 0.000 360.0 360.0 360.0 119.8 33.2 5.9 2.8 2 3 A Q - 0 0 185 1,-0.1 2,-0.0 0, 0.0 0, 0.0 -0.270 360.0 -91.6 -62.2 145.3 30.6 7.6 0.6 3 4 A L - 0 0 36 1,-0.1 2,-0.2 4,-0.1 -1,-0.1 -0.308 38.4-135.1 -61.2 141.6 27.8 5.2 -0.7 4 5 A T > - 0 0 70 -3,-0.1 4,-2.2 1,-0.1 5,-0.2 -0.542 21.5-113.1 -90.7 163.5 28.3 3.5 -4.0 5 6 A E H > S+ 0 0 163 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.880 118.4 55.2 -60.0 -40.6 25.7 3.2 -6.7 6 7 A E H > S+ 0 0 134 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.903 108.7 47.9 -59.1 -44.2 25.5 -0.6 -6.1 7 8 A Q H > S+ 0 0 51 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.925 112.9 46.9 -62.9 -47.1 24.7 -0.0 -2.4 8 9 A I H X S+ 0 0 60 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.932 112.5 50.6 -62.7 -45.1 22.1 2.6 -3.1 9 10 A A H X S+ 0 0 58 -4,-2.8 4,-2.4 1,-0.2 -1,-0.2 0.880 112.5 46.5 -59.7 -40.6 20.5 0.4 -5.8 10 11 A E H X S+ 0 0 102 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.877 111.8 49.7 -72.6 -35.0 20.4 -2.6 -3.4 11 12 A F H X S+ 0 0 13 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.915 114.2 46.9 -67.1 -41.2 19.0 -0.7 -0.5 12 13 A K H X S+ 0 0 94 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.902 111.9 49.3 -66.1 -43.6 16.3 0.7 -2.8 13 14 A E H X S+ 0 0 138 -4,-2.4 4,-1.0 2,-0.2 -2,-0.2 0.939 113.8 46.3 -61.7 -48.2 15.5 -2.7 -4.3 14 15 A A H X S+ 0 0 5 -4,-2.4 4,-0.5 2,-0.2 3,-0.4 0.901 112.4 49.9 -60.2 -46.4 15.2 -4.2 -0.8 15 16 A F H >< S+ 0 0 1 -4,-2.4 3,-1.3 1,-0.2 -1,-0.2 0.925 111.6 48.8 -55.4 -47.3 13.0 -1.4 0.5 16 17 A S H >< S+ 0 0 35 -4,-2.3 3,-0.8 1,-0.3 -1,-0.2 0.625 92.9 74.9 -77.2 -15.2 10.7 -1.6 -2.4 17 18 A L H 3< S+ 0 0 85 -4,-1.0 -1,-0.3 -3,-0.4 -2,-0.2 0.788 105.8 39.5 -59.0 -27.0 10.3 -5.4 -2.1 18 19 A F T << S+ 0 0 52 -3,-1.3 2,-0.7 -4,-0.5 9,-0.2 0.304 95.4 82.4-111.4 7.8 8.1 -4.5 0.9 19 20 A D X + 0 0 16 -3,-0.8 3,-1.4 1,-0.1 5,-0.2 -0.722 50.6 162.3-107.7 73.8 6.3 -1.5 -0.5 20 21 A K T 3 S+ 0 0 179 -2,-0.7 -1,-0.1 1,-0.3 6,-0.1 0.708 71.3 55.8 -73.4 -19.9 3.6 -3.4 -2.5 21 22 A D T 3 S- 0 0 112 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.0 0.303 104.2-133.6 -91.0 6.2 1.3 -0.4 -2.8 22 23 A G < + 0 0 61 -3,-1.4 -2,-0.1 -6,-0.2 -6,-0.0 0.746 66.4 126.9 50.1 37.5 4.2 1.5 -4.5 23 24 A D S S- 0 0 88 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.318 80.7-108.6-103.8 6.6 3.7 4.7 -2.5 24 25 A G S S+ 0 0 31 1,-0.2 40,-0.8 -5,-0.2 2,-0.4 0.543 86.4 101.7 80.3 6.6 7.3 4.9 -1.2 25 26 A T E +A 63 0A 52 38,-0.2 -2,-0.3 39,-0.1 2,-0.3 -0.958 42.2 178.4-124.2 145.0 6.5 4.0 2.4 26 27 A I E -A 62 0A 4 36,-2.3 36,-3.2 -2,-0.4 2,-0.2 -0.791 33.5-101.0-126.0 175.0 6.8 0.8 4.4 27 28 A T E > -A 61 0A 52 -2,-0.3 3,-1.3 34,-0.2 4,-0.4 -0.622 21.9-120.7 -95.6 158.9 6.0 0.1 8.0 28 29 A T G >> S+ 0 0 10 32,-2.2 3,-1.2 1,-0.3 4,-0.6 0.812 113.8 67.0 -63.6 -29.1 8.5 -0.1 10.9 29 30 A K G 34 S+ 0 0 111 31,-0.4 4,-0.3 1,-0.2 -1,-0.3 0.754 101.9 48.4 -61.3 -22.0 7.3 -3.7 11.4 30 31 A E G <> S+ 0 0 55 -3,-1.3 4,-2.4 1,-0.1 -1,-0.2 0.532 85.0 88.6 -93.9 -8.2 8.9 -4.4 8.0 31 32 A L H <> S+ 0 0 0 -3,-1.2 4,-2.4 -4,-0.4 5,-0.2 0.925 87.7 51.7 -59.7 -44.1 12.3 -2.8 8.7 32 33 A G H X S+ 0 0 3 -4,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.901 109.9 49.7 -57.0 -42.3 13.7 -6.1 10.2 33 34 A T H > S+ 0 0 57 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.905 108.0 52.9 -66.3 -43.1 12.5 -8.0 7.1 34 35 A V H X S+ 0 0 0 -4,-2.4 4,-0.8 2,-0.2 -1,-0.2 0.921 110.0 49.7 -52.3 -47.3 14.1 -5.5 4.8 35 36 A M H ><>S+ 0 0 0 -4,-2.4 5,-2.3 1,-0.2 3,-0.7 0.907 110.7 48.2 -63.2 -42.1 17.4 -5.9 6.7 36 37 A R H ><5S+ 0 0 118 -4,-2.2 3,-1.7 1,-0.2 -1,-0.2 0.852 104.6 60.2 -68.0 -30.4 17.2 -9.7 6.5 37 38 A S H 3<5S+ 0 0 53 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.731 101.9 54.6 -69.8 -19.2 16.5 -9.4 2.7 38 39 A L T <<5S- 0 0 46 -4,-0.8 -1,-0.3 -3,-0.7 -2,-0.2 0.352 126.8-103.5 -88.4 0.9 19.8 -7.7 2.4 39 40 A G T < 5S+ 0 0 70 -3,-1.7 -3,-0.2 1,-0.3 -2,-0.1 0.556 82.5 128.3 89.4 7.2 21.5 -10.6 4.1 40 41 A Q < - 0 0 84 -5,-2.3 -1,-0.3 -6,-0.2 -2,-0.1 -0.459 45.0-159.4 -94.4 165.5 21.8 -8.8 7.4 41 42 A N - 0 0 129 -2,-0.1 -5,-0.0 -3,-0.1 -9,-0.0 -0.513 12.6-166.9-144.5 73.3 20.7 -10.1 10.8 42 43 A P - 0 0 14 0, 0.0 -6,-0.0 0, 0.0 -7,-0.0 -0.338 21.4-122.4 -64.4 141.3 20.3 -7.2 13.2 43 44 A T > - 0 0 73 1,-0.1 4,-2.4 -2,-0.0 5,-0.2 -0.227 33.2 -97.0 -72.5 173.3 19.9 -8.2 16.9 44 45 A E H > S+ 0 0 53 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.895 127.0 49.4 -61.4 -35.8 16.9 -7.1 18.8 45 46 A A H > S+ 0 0 66 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.891 109.7 49.1 -71.0 -42.0 18.9 -4.1 20.2 46 47 A E H > S+ 0 0 96 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.925 112.1 48.7 -62.1 -44.3 20.2 -3.0 16.8 47 48 A L H X S+ 0 0 7 -4,-2.4 4,-2.6 2,-0.2 5,-0.2 0.856 107.9 54.4 -67.4 -35.6 16.7 -3.1 15.3 48 49 A Q H X S+ 0 0 29 -4,-1.7 4,-2.0 -5,-0.2 -1,-0.2 0.939 111.5 46.2 -59.7 -46.5 15.3 -1.1 18.2 49 50 A D H X S+ 0 0 69 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.914 112.7 49.0 -62.7 -44.2 17.9 1.5 17.5 50 51 A M H X S+ 0 0 12 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.902 110.1 50.7 -65.2 -41.9 17.3 1.5 13.7 51 52 A I H X S+ 0 0 8 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.902 109.4 52.0 -63.4 -40.0 13.5 1.8 14.2 52 53 A N H < S+ 0 0 77 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.937 112.8 46.0 -58.1 -46.3 14.1 4.8 16.5 53 54 A E H < S+ 0 0 58 -4,-2.2 3,-0.3 1,-0.2 -2,-0.2 0.864 115.9 41.5 -65.0 -41.8 16.3 6.5 13.9 54 55 A V H < S+ 0 0 1 -4,-2.3 2,-0.7 1,-0.2 9,-0.3 0.785 111.9 51.5 -87.9 -28.4 14.2 6.0 10.8 55 56 A D >< + 0 0 18 -4,-1.8 3,-0.6 -5,-0.2 -1,-0.2 -0.659 60.7 157.8-108.0 72.3 10.7 6.8 12.2 56 57 A A T 3 S+ 0 0 98 -2,-0.7 -1,-0.2 -3,-0.3 -2,-0.1 0.754 77.2 48.9 -68.8 -25.5 11.4 10.1 13.9 57 58 A D T 3 S- 0 0 108 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.575 99.6-140.4 -88.5 -10.2 7.7 11.0 13.7 58 59 A G < + 0 0 56 -3,-0.6 -2,-0.1 1,-0.1 -3,-0.1 0.585 59.9 132.7 67.0 11.2 6.6 7.6 15.2 59 60 A N S S- 0 0 95 2,-0.2 -1,-0.1 1,-0.1 3,-0.1 0.431 79.4-111.6 -72.8 1.8 3.6 7.2 12.9 60 61 A G S S+ 0 0 23 1,-0.2 -32,-2.2 -5,-0.1 -31,-0.4 0.491 84.5 104.1 86.0 1.9 4.9 3.7 12.2 61 62 A T E -A 27 0A 52 -34,-0.3 2,-0.4 -33,-0.1 -34,-0.2 -0.896 50.2-160.0-123.9 151.9 5.8 4.3 8.6 62 63 A I E -A 26 0A 1 -36,-3.2 -36,-2.3 -2,-0.3 2,-0.2 -0.969 3.3-153.0-132.1 137.8 9.2 4.8 6.9 63 64 A D E > -A 25 0A 50 -2,-0.4 4,-2.2 -9,-0.3 5,-0.2 -0.672 31.4-107.0-107.0 170.0 10.2 6.4 3.6 64 65 A F H > S+ 0 0 36 -40,-0.8 4,-3.4 -2,-0.2 5,-0.3 0.908 112.8 56.1 -65.5 -43.1 13.3 5.6 1.5 65 66 A P H > S+ 0 0 84 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.928 112.2 44.2 -55.0 -44.4 15.3 8.8 2.2 66 67 A E H > S+ 0 0 66 2,-0.2 4,-1.5 1,-0.2 -2,-0.2 0.867 115.0 48.6 -65.5 -42.1 15.1 8.1 6.0 67 68 A F H X S+ 0 0 0 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.944 112.1 49.6 -58.4 -50.0 15.9 4.4 5.5 68 69 A L H X S+ 0 0 28 -4,-3.4 4,-2.3 1,-0.2 -2,-0.2 0.896 109.2 49.2 -60.6 -44.0 18.9 5.2 3.2 69 70 A T H X S+ 0 0 68 -4,-2.1 4,-2.0 -5,-0.3 -1,-0.2 0.892 109.4 53.8 -70.2 -31.1 20.5 7.7 5.5 70 71 A M H X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 -1,-0.2 0.919 109.3 48.6 -61.5 -45.5 20.2 5.3 8.4 71 72 A M H X S+ 0 0 4 -4,-2.1 4,-1.1 1,-0.2 -2,-0.2 0.894 108.7 53.5 -62.0 -40.4 22.0 2.7 6.3 72 73 A A H < S+ 0 0 42 -4,-2.3 3,-0.3 1,-0.2 -1,-0.2 0.878 110.6 46.9 -63.4 -38.2 24.7 5.2 5.4 73 74 A R H < S+ 0 0 138 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.860 112.5 49.9 -67.0 -38.2 25.3 5.9 9.1 74 75 A K H < S+ 0 0 63 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.625 84.9 129.7 -77.1 -15.5 25.4 2.3 10.0 75 76 A M < 0 0 72 -4,-1.1 -3,-0.1 -3,-0.3 -72,-0.0 -0.040 360.0 360.0 -50.7 137.1 27.9 1.4 7.2 76 77 A K 0 0 238 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.633 360.0 360.0 -82.2 360.0 31.0 -0.6 8.1 77 !* 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 78 4 B L 0 0 159 0, 0.0 2,-0.1 0, 0.0 69,-0.0 0.000 360.0 360.0 360.0 -54.0 -7.2 -10.3 36.2 79 5 B T > - 0 0 60 1,-0.1 4,-2.3 4,-0.0 5,-0.2 -0.447 360.0-110.1 -86.7 168.1 -10.4 -9.0 34.7 80 6 B E H > S+ 0 0 163 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.863 121.5 55.9 -64.2 -35.5 -11.2 -9.0 31.0 81 7 B E H > S+ 0 0 127 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.962 109.3 44.9 -56.5 -54.2 -10.8 -5.3 31.0 82 8 B Q H > S+ 0 0 78 1,-0.2 4,-3.0 2,-0.2 5,-0.2 0.883 112.3 51.7 -59.1 -42.6 -7.3 -5.6 32.4 83 9 B I H X S+ 0 0 60 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.928 111.1 47.0 -63.1 -43.6 -6.4 -8.3 30.0 84 10 B A H X S+ 0 0 61 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.871 113.9 48.7 -66.0 -36.7 -7.6 -6.3 27.0 85 11 B E H X S+ 0 0 93 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.915 111.0 49.1 -71.3 -42.6 -5.7 -3.2 28.3 86 12 B F H X S+ 0 0 18 -4,-3.0 4,-2.5 1,-0.2 5,-0.2 0.921 112.5 50.2 -57.4 -44.8 -2.5 -5.2 28.9 87 13 B K H X S+ 0 0 98 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.919 110.9 47.2 -64.0 -43.6 -2.8 -6.6 25.4 88 14 B E H X S+ 0 0 143 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.938 114.0 46.8 -66.3 -44.8 -3.3 -3.2 23.7 89 15 B A H X S+ 0 0 9 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.917 112.7 49.9 -61.7 -45.3 -0.4 -1.6 25.6 90 16 B F H < S+ 0 0 2 -4,-2.5 3,-0.5 1,-0.2 4,-0.4 0.937 114.9 44.1 -57.0 -50.1 1.9 -4.5 24.8 91 17 B S H >< S+ 0 0 50 -4,-2.4 3,-0.8 1,-0.2 -1,-0.2 0.833 105.4 62.3 -66.0 -34.1 1.0 -4.4 21.1 92 18 B L H 3< S+ 0 0 119 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.860 111.9 38.0 -60.0 -32.6 1.3 -0.6 21.0 93 19 B F T 3< S+ 0 0 38 -4,-1.3 2,-1.7 -3,-0.5 -1,-0.2 0.320 81.9 104.1-108.5 6.7 5.0 -0.9 21.9 94 20 B D X + 0 0 12 -3,-0.8 3,-1.2 -4,-0.4 5,-0.1 -0.648 49.1 174.0 -81.4 80.8 5.9 -4.0 19.9 95 21 B K T 3 S+ 0 0 77 -2,-1.7 -1,-0.2 1,-0.3 6,-0.1 0.766 71.6 47.5 -70.6 -28.4 7.6 -1.7 17.3 96 22 B D T 3 S- 0 0 17 4,-0.2 -1,-0.3 -3,-0.2 -64,-0.1 0.387 104.7-129.9 -95.3 2.8 9.1 -4.5 15.2 97 23 B G < + 0 0 37 -3,-1.2 -2,-0.1 -6,-0.1 4,-0.1 0.786 68.0 125.0 60.4 35.6 5.8 -6.4 15.1 98 24 B D S S- 0 0 79 2,-0.4 -1,-0.1 0, 0.0 3,-0.1 0.360 82.8-103.5-106.3 3.2 7.1 -9.8 16.2 99 25 B G S S+ 0 0 39 1,-0.3 40,-0.6 -5,-0.1 2,-0.3 0.502 93.1 87.3 87.8 2.7 4.8 -10.5 19.2 100 26 B T E -B 138 0B 29 38,-0.2 -2,-0.4 39,-0.1 2,-0.3 -0.865 61.8-145.7-124.1 162.6 7.5 -9.7 21.8 101 27 B I E -B 137 0B 0 36,-1.8 36,-2.4 -2,-0.3 -7,-0.1 -0.940 23.0-115.7-121.9 154.0 8.7 -6.6 23.5 102 28 B T E > -B 136 0B 6 -2,-0.3 4,-0.8 34,-0.2 34,-0.2 -0.356 30.9-107.4 -78.1 167.1 12.3 -5.8 24.6 103 29 B T H > S+ 0 0 49 32,-1.5 4,-0.8 1,-0.2 3,-0.2 0.820 122.9 53.3 -64.8 -30.8 13.2 -5.4 28.2 104 30 B K H >> S+ 0 0 138 31,-0.2 4,-0.9 1,-0.2 3,-0.5 0.910 104.3 53.9 -68.5 -43.9 13.5 -1.7 27.6 105 31 B E H 3> S+ 0 0 7 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.695 95.8 71.9 -63.5 -18.0 10.0 -1.5 26.1 106 32 B L H 3X S+ 0 0 1 -4,-0.8 4,-2.7 2,-0.2 -1,-0.2 0.926 93.6 50.8 -68.0 -46.4 8.7 -3.1 29.3 107 33 B G H <>S+ 0 0 5 -4,-2.7 5,-2.1 1,-0.2 3,-0.7 0.929 111.5 48.6 -68.8 -40.5 4.1 -0.3 32.3 111 37 B R H ><5S+ 0 0 125 -4,-2.5 3,-1.8 1,-0.2 -1,-0.2 0.873 106.4 59.1 -63.3 -31.3 4.2 3.5 32.4 112 38 B S H 3<5S+ 0 0 58 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.745 101.4 54.5 -69.5 -22.4 1.6 3.5 29.6 113 39 B L T <<5S- 0 0 47 -4,-0.9 -1,-0.3 -3,-0.7 -2,-0.2 0.211 126.5-106.7 -88.5 12.8 -0.6 1.5 32.0 114 40 B G T < 5S+ 0 0 70 -3,-1.8 2,-0.3 1,-0.2 -3,-0.2 0.859 79.1 130.6 62.6 36.5 -0.1 4.4 34.5 115 41 B Q < - 0 0 80 -5,-2.1 -1,-0.2 -6,-0.1 -2,-0.1 -0.750 46.9-151.3-111.1 167.8 2.2 2.4 36.7 116 42 B N + 0 0 137 -2,-0.3 2,-0.1 -3,-0.1 -9,-0.0 -0.519 18.7 175.2-141.9 71.7 5.5 3.5 38.0 117 43 B P - 0 0 9 0, 0.0 2,-0.1 0, 0.0 -6,-0.0 -0.470 27.0-127.9 -74.5 148.2 8.0 0.6 38.7 118 44 B T > - 0 0 66 -2,-0.1 4,-3.0 1,-0.1 5,-0.2 -0.416 30.7-101.7 -84.1 170.5 11.5 1.4 39.8 119 45 B E H > S+ 0 0 153 1,-0.2 4,-3.2 2,-0.2 5,-0.2 0.891 124.6 54.3 -60.0 -40.1 14.5 -0.0 37.9 120 46 B A H > S+ 0 0 63 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.926 111.5 43.8 -59.6 -48.2 14.9 -2.6 40.7 121 47 B E H > S+ 0 0 97 2,-0.2 4,-2.5 1,-0.2 3,-0.3 0.977 115.3 49.1 -58.2 -57.9 11.3 -3.7 40.4 122 48 B L H X S+ 0 0 21 -4,-3.0 4,-3.3 1,-0.2 -2,-0.2 0.884 109.0 51.9 -47.8 -49.7 11.6 -3.7 36.6 123 49 B Q H X S+ 0 0 115 -4,-3.2 4,-3.2 2,-0.2 -1,-0.2 0.872 110.3 46.5 -66.5 -37.7 14.8 -5.8 36.5 124 50 B D H X S+ 0 0 79 -4,-1.8 4,-2.7 -3,-0.3 -1,-0.2 0.942 113.4 50.3 -64.6 -46.8 13.5 -8.5 38.8 125 51 B M H X S+ 0 0 9 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.966 112.9 47.3 -50.4 -55.6 10.3 -8.6 36.7 126 52 B I H X S+ 0 0 28 -4,-3.3 4,-2.5 1,-0.2 -2,-0.2 0.918 110.9 50.2 -49.0 -54.5 12.5 -8.8 33.6 127 53 B N H < S+ 0 0 112 -4,-3.2 -1,-0.2 1,-0.2 -2,-0.2 0.857 114.3 46.5 -57.8 -35.4 14.7 -11.6 35.1 128 54 B E H < S+ 0 0 88 -4,-2.7 -2,-0.2 -3,-0.2 -1,-0.2 0.924 117.3 39.0 -74.1 -47.2 11.5 -13.6 36.0 129 55 B V H < S+ 0 0 7 -4,-2.8 2,-2.3 -5,-0.2 3,-0.2 0.941 100.8 74.7 -69.4 -48.4 9.6 -13.3 32.7 130 56 B D >< + 0 0 19 -4,-2.5 3,-0.8 -5,-0.3 -1,-0.2 -0.418 55.2 160.0 -70.0 75.5 12.7 -13.7 30.4 131 57 B A T 3 S+ 0 0 88 -2,-2.3 -1,-0.2 1,-0.2 -2,-0.1 0.913 74.4 46.9 -64.4 -47.1 13.1 -17.4 30.9 132 58 B D T 3 S- 0 0 113 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.364 105.2-132.9 -80.8 6.1 15.2 -18.0 27.7 133 59 B G < + 0 0 61 -3,-0.8 -2,-0.1 -6,-0.1 -3,-0.1 0.745 64.1 129.6 52.1 38.3 17.3 -14.9 28.7 134 60 B N S S- 0 0 83 2,-0.3 -90,-0.2 -90,-0.0 -1,-0.1 0.346 79.5-103.6-105.2 4.8 17.2 -13.3 25.3 135 61 B G S S+ 0 0 25 1,-0.2 -32,-1.5 -9,-0.1 2,-0.3 0.555 91.2 90.7 84.3 7.0 16.1 -9.7 26.2 136 62 B T E -B 102 0B 13 -34,-0.2 2,-0.4 -33,-0.1 -2,-0.3 -0.972 53.8-159.6-132.0 155.9 12.5 -10.1 25.0 137 63 B I E -B 101 0B 2 -36,-2.4 -36,-1.8 -2,-0.3 -7,-0.1 -0.994 12.5-138.7-133.6 139.1 9.2 -11.2 26.6 138 64 B D E > -B 100 0B 56 -2,-0.4 4,-2.5 -38,-0.2 5,-0.2 -0.292 33.4 -98.9 -87.5 176.4 6.0 -12.5 25.1 139 65 B F H > S+ 0 0 31 -40,-0.6 4,-3.5 2,-0.2 5,-0.2 0.917 119.8 53.6 -67.8 -43.8 2.5 -11.6 26.0 140 66 B P H > S+ 0 0 87 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.923 113.0 46.2 -55.2 -41.4 1.8 -14.7 28.1 141 67 B E H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.924 114.2 47.1 -65.0 -45.9 4.9 -14.0 30.1 142 68 B F H X S+ 0 0 0 -4,-2.5 4,-2.4 1,-0.2 5,-0.2 0.955 111.9 51.9 -56.1 -50.0 4.0 -10.3 30.5 143 69 B L H X S+ 0 0 37 -4,-3.5 4,-1.8 1,-0.2 -2,-0.2 0.912 110.8 44.7 -59.5 -46.6 0.5 -11.2 31.5 144 70 B T H X S+ 0 0 69 -4,-2.2 4,-1.6 -5,-0.2 -1,-0.2 0.833 110.4 55.2 -73.4 -29.2 1.4 -13.6 34.3 145 71 B M H X S+ 0 0 0 -4,-1.9 4,-0.5 -5,-0.2 -1,-0.2 0.929 108.9 48.4 -60.1 -47.3 4.1 -11.2 35.6 146 72 B M H >< S+ 0 0 12 -4,-2.4 3,-0.7 1,-0.2 -2,-0.2 0.841 107.3 56.5 -62.8 -35.1 1.4 -8.5 35.9 147 73 B A H 3< S+ 0 0 68 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.891 101.8 54.9 -65.7 -38.4 -1.0 -10.9 37.6 148 74 B R H 3< 0 0 138 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 0.623 360.0 360.0 -71.3 -11.5 1.6 -11.6 40.3 149 75 B K << 0 0 128 -3,-0.7 -2,-0.2 -4,-0.5 -3,-0.2 0.562 360.0 360.0-119.6 360.0 1.7 -7.8 40.9