==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM BINDING PROTEIN/PROTEIN FIBRIL 13-FEB-13 2M55 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.M.GRUSCHUS,T.YAP,S.PISTOLESI,A.S.MALTSEV,J.C.LEE . 167 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 124 74.3 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 3.6 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 . 8 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 50.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 3.0 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 0 1 0 2 2 1 1 1 1 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 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 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 0 149 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 95.9 46.5 100.2 -179.8 2 2 A D + 0 0 160 2,-0.1 2,-0.2 0, 0.0 0, 0.0 0.379 360.0 127.2 -90.6 6.9 44.1 101.3 -182.6 3 3 A Q - 0 0 159 1,-0.1 2,-0.1 0, 0.0 0, 0.0 -0.435 64.8-121.4 -64.9 130.6 42.3 97.9 -182.4 4 4 A L - 0 0 90 -2,-0.2 2,-0.3 1,-0.0 -1,-0.1 -0.485 26.6-144.4 -73.7 143.5 38.5 98.5 -182.0 5 5 A T > - 0 0 61 -2,-0.1 4,-1.3 1,-0.1 -1,-0.0 -0.751 17.2-124.2-108.8 156.9 37.0 96.9 -178.8 6 6 A E H > S+ 0 0 152 -2,-0.3 4,-1.4 1,-0.2 -1,-0.1 0.897 110.3 55.1 -65.6 -39.5 33.6 95.3 -178.4 7 7 A E H > S+ 0 0 156 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.905 102.4 56.2 -63.7 -39.1 32.7 97.7 -175.4 8 8 A Q H > S+ 0 0 76 1,-0.2 4,-1.4 2,-0.2 5,-0.2 0.917 103.0 54.9 -61.7 -39.4 33.4 100.8 -177.5 9 9 A I H X S+ 0 0 33 -4,-1.3 4,-2.0 1,-0.2 3,-0.2 0.926 104.7 54.2 -61.5 -39.3 30.9 99.7 -180.2 10 10 A A H X S+ 0 0 57 -4,-1.4 4,-1.7 1,-0.2 -1,-0.2 0.877 101.2 60.5 -62.1 -34.7 28.2 99.4 -177.4 11 11 A E H X S+ 0 0 121 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.929 114.3 33.3 -61.3 -42.4 28.9 103.0 -176.4 12 12 A F H X S+ 0 0 80 -4,-1.4 4,-2.2 -3,-0.2 -1,-0.2 0.722 108.9 69.3 -86.6 -19.3 27.9 104.4 -179.9 13 13 A K H X S+ 0 0 110 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.934 97.2 51.6 -64.0 -42.8 25.3 101.7 -180.4 14 14 A E H X S+ 0 0 140 -4,-1.7 4,-0.6 1,-0.2 3,-0.2 0.957 112.3 45.5 -60.3 -46.0 23.0 103.2 -177.7 15 15 A A H >X S+ 0 0 55 -4,-0.8 3,-1.0 1,-0.2 4,-0.9 0.879 106.2 63.0 -63.7 -35.9 23.3 106.6 -179.3 16 16 A F H >X S+ 0 0 9 -4,-2.2 4,-1.4 1,-0.2 3,-0.6 0.916 96.3 56.1 -57.1 -45.7 22.6 105.0 -182.7 17 17 A S H 3< S+ 0 0 62 -4,-1.7 -1,-0.2 1,-0.2 6,-0.2 0.762 96.2 67.3 -62.1 -22.2 19.1 103.8 -181.8 18 18 A L H << S+ 0 0 129 -3,-1.0 -1,-0.2 -4,-0.6 -2,-0.2 0.940 102.2 44.2 -66.6 -42.6 18.1 107.4 -180.9 19 19 A F H << S+ 0 0 46 -4,-0.9 2,-1.8 -3,-0.6 3,-0.2 0.901 104.2 67.8 -69.4 -37.6 18.3 108.6 -184.5 20 20 A D >< + 0 0 5 -4,-1.4 3,-1.1 1,-0.2 5,-0.2 -0.554 60.0 169.5 -83.5 82.8 16.5 105.4 -185.8 21 21 A K T 3 + 0 0 142 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.783 69.3 72.0 -64.9 -24.0 13.0 106.2 -184.3 22 22 A D T 3 S- 0 0 90 4,-0.2 -1,-0.2 -3,-0.2 -2,-0.1 0.859 91.5-145.0 -63.3 -30.2 11.6 103.3 -186.4 23 23 A G < + 0 0 68 -3,-1.1 -1,-0.1 -6,-0.2 -2,-0.1 0.601 68.9 115.3 78.2 5.6 13.4 100.7 -184.1 24 24 A D S S- 0 0 83 2,-0.3 3,-0.1 1,-0.0 -1,-0.1 0.440 91.5-111.0 -88.7 2.7 14.0 98.5 -187.2 25 25 A G S S+ 0 0 37 1,-0.2 40,-0.9 -5,-0.2 2,-0.3 0.627 90.8 92.2 79.6 10.4 17.8 99.0 -186.9 26 26 A T E -A 64 0A 33 38,-0.2 2,-0.5 39,-0.1 -2,-0.3 -0.985 69.6-133.5-136.2 149.2 17.8 101.1 -190.1 27 27 A I E -A 63 0A 4 36,-1.8 36,-1.4 -2,-0.3 2,-0.3 -0.867 21.1-161.4-104.6 130.4 17.5 104.8 -190.8 28 28 A T > - 0 0 35 -2,-0.5 4,-2.2 34,-0.2 3,-0.3 -0.716 32.6-110.7-106.9 158.0 15.1 106.0 -193.5 29 29 A T H > S+ 0 0 50 32,-0.4 4,-2.4 -2,-0.3 5,-0.4 0.883 120.0 55.0 -56.2 -35.5 15.1 109.4 -195.3 30 30 A K H > S+ 0 0 152 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.922 107.6 48.8 -64.7 -42.1 11.9 110.3 -193.5 31 31 A E H > S+ 0 0 9 -3,-0.3 4,-1.7 2,-0.2 5,-0.2 0.917 116.0 41.8 -66.0 -42.9 13.5 109.6 -190.1 32 32 A L H X S+ 0 0 8 -4,-2.2 4,-3.5 2,-0.2 5,-0.3 0.964 117.4 45.0 -71.2 -51.9 16.6 111.7 -190.7 33 33 A G H X S+ 0 0 13 -4,-2.4 4,-2.4 -5,-0.3 -2,-0.2 0.915 110.9 55.7 -60.4 -39.6 14.8 114.6 -192.4 34 34 A T H X S+ 0 0 61 -4,-2.1 4,-0.7 -5,-0.4 -1,-0.2 0.954 116.4 35.6 -60.4 -46.5 12.1 114.6 -189.7 35 35 A V H >X S+ 0 0 49 -4,-1.7 3,-0.8 -5,-0.2 4,-0.8 0.902 115.2 56.3 -75.1 -36.1 14.7 115.0 -186.9 36 36 A M H ><>S+ 0 0 18 -4,-3.5 3,-0.9 1,-0.2 5,-0.6 0.872 97.6 64.9 -61.0 -32.6 16.9 117.2 -189.0 37 37 A R H >X5S+ 0 0 166 -4,-2.4 3,-1.5 -5,-0.3 4,-0.8 0.880 91.0 63.5 -58.7 -35.8 13.8 119.5 -189.4 38 38 A S H <<5S+ 0 0 103 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.880 86.8 71.1 -58.3 -34.2 14.0 120.2 -185.6 39 39 A L T <<5S- 0 0 91 -3,-0.9 -1,-0.3 -4,-0.8 -2,-0.2 0.337 125.1-104.3 -66.6 16.8 17.4 121.8 -186.3 40 40 A G T <45S+ 0 0 68 -3,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.914 80.4 135.6 63.1 39.8 15.3 124.5 -187.9 41 41 A Q << - 0 0 79 -4,-0.8 -1,-0.2 -5,-0.6 -2,-0.0 -0.807 45.1-162.4-118.5 161.5 16.3 123.3 -191.4 42 42 A N + 0 0 142 -2,-0.3 -5,-0.0 -3,-0.1 -9,-0.0 -0.510 24.1 172.2-141.4 68.8 14.3 122.7 -194.6 43 43 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -2,-0.0 -0.263 26.3-122.5 -75.4 164.8 16.3 120.4 -196.9 44 44 A T > - 0 0 85 1,-0.1 4,-2.0 -2,-0.0 5,-0.2 -0.666 21.4-111.7-107.5 163.5 15.0 118.9 -200.2 45 45 A E H > S+ 0 0 124 -2,-0.2 4,-2.0 1,-0.2 -1,-0.1 0.916 117.5 52.3 -61.2 -41.9 14.9 115.3 -201.2 46 46 A A H > S+ 0 0 79 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 108.0 51.9 -63.2 -39.6 17.6 115.7 -203.9 47 47 A E H > S+ 0 0 98 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.936 112.4 44.6 -63.7 -44.2 20.0 117.3 -201.4 48 48 A L H X S+ 0 0 13 -4,-2.0 4,-2.8 1,-0.2 5,-0.4 0.843 105.2 64.0 -69.4 -32.4 19.6 114.4 -198.9 49 49 A Q H X S+ 0 0 109 -4,-2.0 4,-3.3 -5,-0.2 5,-0.3 0.957 102.6 47.4 -58.7 -48.5 19.9 111.8 -201.7 50 50 A D H X S+ 0 0 88 -4,-1.5 4,-1.6 1,-0.2 -1,-0.2 0.928 114.3 47.6 -60.2 -43.4 23.5 112.9 -202.5 51 51 A M H X S+ 0 0 28 -4,-1.3 4,-0.7 2,-0.2 -2,-0.2 0.967 121.3 34.1 -64.3 -52.1 24.5 112.8 -198.8 52 52 A I H >X S+ 0 0 10 -4,-2.8 4,-0.6 1,-0.2 3,-0.6 0.894 114.5 59.4 -71.3 -38.3 22.9 109.4 -198.1 53 53 A N H >< S+ 0 0 96 -4,-3.3 3,-0.8 -5,-0.4 -1,-0.2 0.873 97.1 61.2 -58.9 -37.9 23.7 108.0 -201.5 54 54 A E H 3< S+ 0 0 98 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.882 114.2 33.0 -60.5 -37.7 27.5 108.6 -201.0 55 55 A V H << S+ 0 0 17 -4,-0.7 2,-0.9 -3,-0.6 -1,-0.2 0.354 90.1 112.9-101.2 7.6 27.6 106.2 -198.0 56 56 A D << + 0 0 27 -3,-0.8 7,-0.1 -4,-0.6 -4,-0.0 -0.672 31.6 164.9 -81.7 107.6 25.0 103.8 -199.2 57 57 A A S S+ 0 0 92 -2,-0.9 -1,-0.2 1,-0.1 6,-0.1 0.749 75.6 47.7 -94.9 -25.5 26.8 100.5 -199.9 58 58 A D S S- 0 0 66 4,-0.3 -1,-0.1 6,-0.0 -2,-0.1 0.560 99.6-133.0 -90.9 -5.8 23.7 98.2 -200.2 59 59 A G + 0 0 61 1,-0.1 -3,-0.1 3,-0.1 -6,-0.0 0.827 69.4 127.7 61.6 26.9 21.9 100.6 -202.5 60 60 A N S S- 0 0 67 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.484 77.5-119.5 -94.0 0.2 18.9 100.2 -200.3 61 61 A G S S+ 0 0 33 1,-0.2 -32,-0.4 -9,-0.1 2,-0.3 0.704 85.4 87.9 72.3 17.6 18.4 103.9 -199.8 62 62 A T S S- 0 0 25 -34,-0.1 2,-0.6 -10,-0.1 -2,-0.3 -0.958 79.3-115.8-141.2 160.8 18.9 103.6 -196.0 63 63 A I E -A 27 0A 13 -36,-1.4 -36,-1.8 -2,-0.3 2,-0.2 -0.862 29.3-153.7-101.6 121.1 21.8 103.5 -193.6 64 64 A D E >> -A 26 0A 36 -2,-0.6 4,-2.5 -38,-0.2 3,-0.6 -0.580 31.1-103.6 -91.8 155.9 22.3 100.2 -191.8 65 65 A F H 3> S+ 0 0 51 -40,-0.9 4,-2.5 1,-0.2 5,-0.2 0.906 122.5 48.3 -45.0 -51.6 24.0 100.0 -188.4 66 66 A P H 3> S+ 0 0 78 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.892 109.5 53.5 -61.8 -32.9 27.3 98.6 -190.0 67 67 A E H <> S+ 0 0 20 -3,-0.6 4,-1.5 1,-0.2 -2,-0.2 0.957 111.0 47.3 -64.3 -43.1 27.3 101.4 -192.6 68 68 A F H X S+ 0 0 14 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.902 107.3 56.3 -61.0 -43.3 26.9 103.9 -189.7 69 69 A L H X S+ 0 0 44 -4,-2.5 4,-1.8 -5,-0.3 5,-0.3 0.900 103.5 54.8 -59.5 -39.5 29.8 102.2 -187.8 70 70 A T H X S+ 0 0 79 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.923 106.1 51.3 -62.3 -42.8 32.1 102.7 -190.7 71 71 A M H X S+ 0 0 11 -4,-1.5 4,-0.7 1,-0.2 -1,-0.2 0.906 105.0 57.0 -62.8 -39.6 31.4 106.4 -190.7 72 72 A M H >< S+ 0 0 54 -4,-1.9 3,-0.7 1,-0.2 4,-0.3 0.941 115.1 36.0 -60.2 -43.3 32.2 106.7 -187.0 73 73 A A H >X S+ 0 0 45 -4,-1.8 3,-1.9 1,-0.2 4,-0.9 0.770 100.1 80.5 -79.0 -24.0 35.7 105.2 -187.6 74 74 A R H 3X>S+ 0 0 57 -4,-2.1 4,-1.6 1,-0.3 5,-0.9 0.768 75.7 76.1 -54.5 -20.8 35.9 107.1 -190.9 75 75 A K H <<5S+ 0 0 41 -4,-0.7 3,-0.4 -3,-0.7 -1,-0.3 0.935 91.4 52.7 -57.5 -42.3 36.8 110.1 -188.8 76 76 A M H <45S+ 0 0 131 -3,-1.9 -1,-0.2 -4,-0.3 -2,-0.2 0.912 109.9 47.4 -61.0 -39.7 40.3 108.5 -188.3 77 77 A K H <5S- 0 0 170 -4,-0.9 -1,-0.3 1,-0.0 -2,-0.2 0.722 97.9-147.2 -75.2 -16.9 40.6 108.2 -192.1 78 78 A D T <5 + 0 0 93 -4,-1.6 4,-0.3 -3,-0.4 -3,-0.2 0.929 48.9 140.8 53.3 45.6 39.4 111.8 -192.5 79 79 A T S > S+ 0 0 22 1,-0.2 4,-2.2 2,-0.2 3,-0.9 0.628 103.6 92.3 -85.7 -13.4 34.4 113.1 -195.4 81 81 A S H 3> S+ 0 0 5 1,-0.3 4,-3.0 -7,-0.2 5,-0.2 0.893 81.5 57.9 -49.2 -37.6 36.1 115.2 -192.7 82 82 A E H 3> S+ 0 0 136 -3,-0.5 4,-2.2 -4,-0.3 -1,-0.3 0.930 106.0 48.6 -60.5 -41.4 37.1 117.6 -195.6 83 83 A E H <> S+ 0 0 85 -3,-0.9 4,-2.5 -4,-0.3 -2,-0.2 0.929 113.8 45.8 -65.3 -42.4 33.4 118.0 -196.5 84 84 A E H X S+ 0 0 20 -4,-2.2 4,-3.3 2,-0.2 5,-0.2 0.911 110.0 54.3 -67.8 -40.3 32.4 118.7 -192.9 85 85 A I H X S+ 0 0 40 -4,-3.0 4,-1.1 -5,-0.3 -2,-0.2 0.957 114.4 40.1 -61.3 -46.3 35.3 121.1 -192.4 86 86 A R H X S+ 0 0 177 -4,-2.2 4,-0.8 -5,-0.2 -2,-0.2 0.917 119.0 47.1 -69.6 -39.3 34.2 123.2 -195.4 87 87 A E H >X S+ 0 0 61 -4,-2.5 4,-1.3 -5,-0.2 3,-0.7 0.889 103.2 62.4 -68.5 -39.2 30.5 122.8 -194.6 88 88 A A H 3X S+ 0 0 14 -4,-3.3 4,-3.2 1,-0.3 5,-0.4 0.886 95.5 60.5 -57.4 -35.8 30.9 123.7 -190.9 89 89 A F H 3X S+ 0 0 0 -4,-1.1 4,-3.2 1,-0.2 -1,-0.3 0.905 100.8 55.7 -59.0 -38.0 32.2 127.2 -191.9 90 90 A R H << S+ 0 0 187 -4,-0.8 -1,-0.2 -3,-0.7 -2,-0.2 0.887 113.3 39.7 -63.5 -37.5 28.8 127.8 -193.5 91 91 A V H < S+ 0 0 85 -4,-1.3 -2,-0.2 -3,-0.3 -1,-0.2 0.914 119.4 44.6 -80.2 -41.7 27.0 127.0 -190.3 92 92 A F H < S+ 0 0 81 -4,-3.2 2,-1.8 1,-0.2 3,-0.2 0.921 105.1 66.9 -68.2 -40.0 29.5 128.8 -188.0 93 93 A D < + 0 0 10 -4,-3.2 -1,-0.2 -5,-0.4 3,-0.1 -0.551 60.8 165.2 -82.5 83.0 29.6 131.8 -190.4 94 94 A K S S+ 0 0 138 -2,-1.8 -1,-0.2 1,-0.2 -2,-0.1 0.885 72.5 54.3 -66.3 -39.8 26.0 133.1 -189.9 95 95 A D S S- 0 0 97 -3,-0.2 -1,-0.2 4,-0.1 -2,-0.1 0.834 93.4-143.9 -67.7 -29.1 26.8 136.5 -191.5 96 96 A G + 0 0 56 3,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.662 59.0 133.0 75.3 11.6 28.2 134.9 -194.7 97 97 A N S S- 0 0 81 2,-0.3 3,-0.1 1,-0.1 -1,-0.1 0.642 79.7-114.5 -70.6 -8.8 30.7 137.7 -194.9 98 98 A G S S+ 0 0 22 1,-0.2 40,-0.6 -9,-0.1 2,-0.4 0.384 95.6 80.5 90.2 -4.7 33.3 135.0 -195.5 99 99 A Y E S-B 137 0B 104 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.990 78.3-131.5-133.1 140.0 34.9 135.9 -192.1 100 100 A I E -B 136 0B 13 36,-2.5 36,-1.3 -2,-0.4 2,-0.1 -0.810 23.7-156.5 -95.5 120.6 33.7 134.9 -188.6 101 101 A S > - 0 0 41 -2,-0.6 4,-1.5 34,-0.1 34,-0.1 -0.470 27.3-110.4 -91.4 165.9 33.4 137.8 -186.2 102 102 A A H > S+ 0 0 50 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.897 116.8 52.0 -63.4 -40.5 33.5 137.5 -182.4 103 103 A A H > S+ 0 0 60 1,-0.2 4,-1.1 2,-0.2 -1,-0.2 0.904 107.1 55.1 -64.5 -37.7 29.8 138.4 -181.8 104 104 A E H > S+ 0 0 10 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.885 101.9 55.8 -62.7 -41.5 28.8 135.7 -184.4 105 105 A L H X S+ 0 0 32 -4,-1.5 4,-1.3 1,-0.2 -1,-0.2 0.883 103.7 53.8 -64.1 -36.4 30.7 132.8 -182.6 106 106 A R H X S+ 0 0 126 -4,-1.2 4,-2.1 1,-0.2 -1,-0.2 0.871 101.9 61.5 -66.7 -34.3 28.8 133.4 -179.2 107 107 A H H X S+ 0 0 74 -4,-1.1 4,-2.0 2,-0.2 -2,-0.2 0.966 105.0 42.5 -58.3 -57.5 25.4 133.2 -181.0 108 108 A V H X S+ 0 0 25 -4,-1.2 4,-0.8 1,-0.2 -1,-0.2 0.920 114.8 52.9 -60.2 -39.4 25.6 129.5 -182.3 109 109 A M H ><>S+ 0 0 31 -4,-1.3 5,-2.5 1,-0.2 3,-0.5 0.898 107.2 52.3 -62.8 -38.6 27.2 128.5 -178.9 110 110 A T H ><5S+ 0 0 63 -4,-2.1 3,-2.0 1,-0.2 -1,-0.2 0.908 102.1 57.7 -66.7 -40.6 24.2 130.1 -177.0 111 111 A N H 3<5S+ 0 0 113 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.759 105.8 52.3 -62.5 -21.4 21.6 128.2 -179.0 112 112 A L T <<5S- 0 0 112 -4,-0.8 -1,-0.3 -3,-0.5 -2,-0.2 0.285 122.4-105.8 -98.3 12.5 23.2 124.9 -177.9 113 113 A G T < 5S+ 0 0 73 -3,-2.0 2,-0.4 1,-0.3 -3,-0.2 0.756 82.4 129.0 72.8 20.9 23.1 125.9 -174.2 114 114 A E < + 0 0 110 -5,-2.5 2,-0.3 -6,-0.2 -1,-0.3 -0.868 26.6 161.8-110.5 143.5 26.9 126.6 -174.3 115 115 A K - 0 0 150 -2,-0.4 2,-0.2 -3,-0.1 -9,-0.0 -0.931 10.8-176.9-160.6 134.1 28.5 129.8 -173.1 116 116 A L - 0 0 103 -2,-0.3 2,-0.2 1,-0.1 3,-0.0 -0.501 37.3 -85.4-118.0-170.6 32.1 130.7 -172.1 117 117 A T > - 0 0 86 -2,-0.2 4,-2.3 1,-0.1 5,-0.3 -0.618 34.5-113.3 -98.3 160.6 33.6 134.0 -170.7 118 118 A D H > S+ 0 0 111 1,-0.2 4,-3.7 2,-0.2 5,-0.2 0.915 118.2 54.5 -59.4 -40.5 34.8 136.9 -172.9 119 119 A E H > S+ 0 0 103 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.933 108.2 49.7 -60.5 -41.6 38.4 136.3 -171.9 120 120 A E H > S+ 0 0 95 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.941 116.7 40.4 -63.3 -44.2 38.1 132.7 -173.0 121 121 A V H X S+ 0 0 10 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.901 114.9 53.5 -72.0 -37.6 36.6 133.8 -176.4 122 122 A D H X S+ 0 0 85 -4,-3.7 4,-2.0 -5,-0.3 -2,-0.2 0.950 111.3 44.6 -62.5 -47.2 39.1 136.7 -176.6 123 123 A E H X S+ 0 0 76 -4,-2.9 4,-2.5 -5,-0.2 5,-0.2 0.906 109.2 57.0 -65.1 -39.0 42.2 134.4 -176.1 124 124 A M H X S+ 0 0 95 -4,-1.8 4,-2.1 -5,-0.3 5,-0.2 0.931 108.1 46.7 -59.6 -43.1 40.8 131.8 -178.5 125 125 A I H X S+ 0 0 36 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.921 110.3 54.0 -66.1 -40.6 40.6 134.5 -181.3 126 126 A R H < S+ 0 0 181 -4,-2.0 -2,-0.2 -5,-0.2 -1,-0.2 0.942 111.0 44.7 -60.3 -46.2 44.2 135.7 -180.4 127 127 A E H < S+ 0 0 162 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.919 117.3 43.7 -66.3 -42.3 45.6 132.1 -180.8 128 128 A A H < S+ 0 0 11 -4,-2.1 2,-1.5 -5,-0.2 3,-0.3 0.687 87.3 103.1 -76.8 -16.4 43.7 131.3 -184.1 129 129 A D < + 0 0 51 -4,-1.6 7,-0.1 -5,-0.2 -1,-0.1 -0.492 38.0 149.2 -70.4 93.5 44.6 134.8 -185.5 130 130 A I S S+ 0 0 106 -2,-1.5 -1,-0.2 1,-0.1 6,-0.1 0.870 70.7 39.9 -94.2 -46.4 47.4 133.8 -187.8 131 131 A D S S- 0 0 73 -3,-0.3 -2,-0.1 4,-0.2 -1,-0.1 0.806 100.7-132.2 -75.0 -25.8 47.1 136.4 -190.7 132 132 A G + 0 0 50 3,-0.1 -3,-0.1 -6,-0.1 4,-0.1 0.724 64.7 134.9 82.8 19.9 46.3 139.1 -188.1 133 133 A D S S- 0 0 49 2,-0.3 3,-0.1 1,-0.1 -4,-0.0 0.623 73.3-119.7 -77.1 -9.3 43.3 140.4 -190.1 134 134 A G S S+ 0 0 50 1,-0.2 2,-0.3 -9,-0.1 -1,-0.1 0.308 89.3 72.4 88.5 -11.2 41.4 140.5 -186.8 135 135 A Q S S- 0 0 82 -34,-0.1 2,-0.5 -33,-0.0 -2,-0.3 -0.911 85.3-112.5-131.3 160.7 38.8 138.0 -188.2 136 136 A V E -B 100 0B 17 -36,-1.3 -36,-2.5 -2,-0.3 2,-0.2 -0.818 37.7-173.6 -97.3 124.9 38.9 134.3 -188.9 137 137 A N E > -B 99 0B 22 -2,-0.5 4,-3.1 -38,-0.2 5,-0.2 -0.544 43.3 -94.2-108.6 178.5 38.8 133.4 -192.6 138 138 A Y H > S+ 0 0 94 -40,-0.6 4,-3.2 1,-0.2 5,-0.4 0.902 125.1 56.1 -59.7 -38.6 38.5 130.1 -194.5 139 139 A E H > S+ 0 0 98 2,-0.2 4,-2.4 1,-0.2 5,-0.3 0.961 113.1 38.5 -60.4 -50.3 42.3 130.1 -194.8 140 140 A E H > S+ 0 0 2 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.922 116.6 53.1 -67.5 -41.1 42.8 130.4 -191.1 141 141 A F H X S+ 0 0 27 -4,-3.1 4,-1.2 2,-0.2 -2,-0.2 0.944 115.6 37.8 -62.7 -47.0 39.9 128.0 -190.4 142 142 A V H X S+ 0 0 62 -4,-3.2 4,-1.4 -5,-0.2 3,-0.2 0.943 120.6 47.5 -70.5 -43.1 41.2 125.2 -192.7 143 143 A Q H < S+ 0 0 102 -4,-2.4 -2,-0.2 -5,-0.4 -1,-0.2 0.889 106.7 57.4 -64.4 -38.0 44.8 125.9 -191.7 144 144 A M H < S+ 0 0 80 -4,-3.1 3,-0.2 -5,-0.3 -1,-0.2 0.887 110.3 44.4 -61.2 -37.8 43.9 125.9 -188.0 145 145 A M H < S+ 0 0 86 -4,-1.2 2,-1.6 -5,-0.2 -1,-0.2 0.741 95.8 75.4 -82.2 -22.1 42.5 122.4 -188.2 146 146 A T S < S+ 0 0 98 -4,-1.4 2,-0.4 -3,-0.1 -1,-0.2 -0.244 70.6 131.5 -85.3 55.2 45.3 120.8 -190.3 147 147 A A 0 0 75 -2,-1.6 -3,-0.0 -3,-0.2 -4,-0.0 -0.827 360.0 360.0-107.3 145.4 47.6 120.7 -187.3 148 148 A K 0 0 277 -2,-0.4 -1,-0.1 0, 0.0 -2,-0.0 0.621 360.0 360.0 -85.9 360.0 49.7 117.6 -186.3 149 !* 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 0.0 150 201 B M > 0 0 18 0, 0.0 4,-3.2 0, 0.0 5,-0.4 0.000 360.0 360.0 360.0 152.9 22.7 114.2 -191.9 151 202 B D H > + 0 0 7 1,-0.2 4,-1.1 2,-0.2 -99,-0.0 0.956 360.0 34.9 -52.1 -47.9 25.3 111.5 -192.5 152 203 B V H > S+ 0 0 3 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.903 113.4 59.9 -73.9 -38.5 28.0 114.2 -192.5 153 204 B F H >> S+ 0 0 81 1,-0.2 4,-1.0 2,-0.2 3,-0.5 0.945 104.4 49.9 -55.1 -46.1 26.1 116.3 -189.9 154 205 B M H >X S+ 0 0 25 -4,-3.2 4,-0.7 1,-0.2 3,-0.6 0.899 104.6 59.9 -60.9 -35.8 26.4 113.4 -187.4 155 206 B K H >X S+ 0 0 3 -4,-1.1 4,-1.1 -5,-0.4 3,-0.7 0.885 96.1 62.1 -59.5 -37.2 30.1 113.2 -188.3 156 207 B G H S+ 0 0 26 -4,-0.7 4,-1.2 -3,-0.7 5,-1.1 0.907 108.6 53.0 -64.3 -38.9 32.7 113.9 -183.0 159 210 B K H <>S+ 0 0 37 -4,-1.1 5,-0.7 -3,-0.3 -1,-0.2 0.918 112.3 44.1 -64.2 -40.1 34.8 116.9 -184.3 160 211 B A H <5S+ 0 0 64 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.619 118.3 49.2 -79.9 -9.1 33.1 119.2 -181.8 161 212 B K H X5S+ 0 0 150 -4,-0.8 4,-1.1 -3,-0.4 -2,-0.2 0.872 128.0 11.7 -92.1 -80.3 33.6 116.6 -179.1 162 213 B E H X5S+ 0 0 136 -4,-1.2 4,-1.1 1,-0.2 3,-0.2 0.918 130.6 54.1 -66.4 -41.5 37.2 115.2 -179.1 163 214 B G H >44< S+ 0 0 90 -4,-1.1 3,-1.9 1,-0.3 -1,-0.2 0.890 82.7 71.5 -62.9 -38.1 38.7 119.1 -176.1 166 217 B A T << S+ 0 0 93 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.774 82.8 74.3 -52.2 -21.4 42.2 119.9 -177.4 167 218 B A T < 0 0 88 -3,-1.3 -1,-0.3 -4,-0.3 -2,-0.2 0.924 360.0 360.0 -60.1 -40.0 41.4 123.5 -176.4 168 219 B A < 0 0 133 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.140 360.0 360.0 177.9 360.0 41.8 122.6 -172.7