==== 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 CALMODULIN-PEPTIDE COMPLEX 20-NOV-98 1CKK . COMPND 2 MOLECULE: PROTEIN (CALMODULIN); . SOURCE 2 ORGANISM_SCIENTIFIC: XENOPUS LAEVIS; . AUTHOR M.OSAWA,H.TOKUMITSU,M.B.SWINDELLS,H.KURIHARA,M.ORITA, . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9895.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 104 59.8 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 . 4 2.3 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 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 75 43.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 0 0 0 1 0 1 4 2 0 0 0 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 151 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -87.7 24.0 33.3 -32.2 2 2 A D - 0 0 93 0, 0.0 5,-0.2 0, 0.0 0, 0.0 -0.978 360.0-103.7-137.8 126.4 21.4 31.6 -34.5 3 3 A Q + 0 0 130 -2,-0.4 2,-0.1 4,-0.1 0, 0.0 -0.200 52.6 179.8 -46.3 114.8 18.7 29.1 -33.5 4 4 A L > - 0 0 97 1,-0.0 4,-0.9 0, 0.0 5,-0.2 -0.267 45.5 -85.5-106.8-163.1 20.1 25.8 -34.7 5 5 A T H > S+ 0 0 117 2,-0.1 4,-0.6 1,-0.1 -2,-0.1 0.707 127.5 37.2 -80.4 -17.7 18.8 22.2 -34.6 6 6 A E H > S+ 0 0 153 2,-0.1 4,-2.8 3,-0.1 5,-0.3 0.845 107.1 60.6 -99.6 -45.7 20.2 21.7 -31.1 7 7 A E H > S+ 0 0 104 1,-0.2 4,-1.6 2,-0.2 -2,-0.1 0.922 109.1 46.7 -48.8 -45.9 19.6 25.1 -29.5 8 8 A Q H X S+ 0 0 88 -4,-0.9 4,-1.9 2,-0.2 3,-0.4 0.985 111.6 48.8 -62.7 -56.9 15.8 24.6 -30.1 9 9 A I H X S+ 0 0 80 -4,-0.6 4,-3.0 1,-0.2 5,-0.3 0.945 108.2 54.8 -49.2 -52.2 15.7 21.0 -28.8 10 10 A A H X S+ 0 0 35 -4,-2.8 4,-1.8 1,-0.2 -1,-0.2 0.909 105.1 54.8 -50.6 -42.0 17.6 22.0 -25.6 11 11 A E H X S+ 0 0 19 -4,-1.6 4,-1.8 -3,-0.4 -1,-0.2 0.954 111.6 42.4 -59.3 -48.2 15.0 24.7 -24.9 12 12 A F H X S+ 0 0 31 -4,-1.9 4,-3.4 1,-0.2 5,-0.3 0.930 108.6 59.1 -66.2 -41.6 12.1 22.2 -25.1 13 13 A K H X S+ 0 0 115 -4,-3.0 4,-1.3 -5,-0.2 -1,-0.2 0.888 105.3 52.0 -55.2 -34.8 14.0 19.6 -23.1 14 14 A E H X S+ 0 0 80 -4,-1.8 4,-2.6 -5,-0.3 3,-0.2 0.964 111.9 43.5 -67.6 -49.2 14.2 22.2 -20.3 15 15 A A H X S+ 0 0 3 -4,-1.8 4,-1.8 1,-0.2 5,-0.3 0.940 112.3 53.2 -62.6 -43.3 10.4 22.8 -20.3 16 16 A F H X S+ 0 0 18 -4,-3.4 4,-1.4 1,-0.2 -1,-0.2 0.828 113.1 45.9 -62.0 -26.5 9.7 19.1 -20.6 17 17 A S H < S+ 0 0 74 -4,-1.3 -2,-0.2 -5,-0.3 -1,-0.2 0.854 102.2 63.5 -84.4 -35.5 12.0 18.7 -17.5 18 18 A L H < S+ 0 0 28 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.1 0.943 110.6 39.4 -54.4 -46.1 10.4 21.6 -15.6 19 19 A F H < S+ 0 0 0 -4,-1.8 2,-3.8 1,-0.2 3,-0.2 0.958 102.4 71.1 -70.0 -48.6 7.1 19.7 -15.5 20 20 A D < + 0 0 5 -4,-1.4 -1,-0.2 -5,-0.3 7,-0.1 -0.259 64.7 173.8 -66.3 66.3 8.6 16.3 -14.9 21 21 A K S S+ 0 0 147 -2,-3.8 -1,-0.2 1,-0.2 -2,-0.1 0.918 83.3 34.2 -41.9 -51.8 9.6 17.3 -11.3 22 22 A D S S- 0 0 92 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.919 107.7-131.1 -72.9 -41.4 10.7 13.7 -10.7 23 23 A G + 0 0 48 3,-0.1 -2,-0.1 -7,-0.1 -3,-0.1 0.874 57.6 141.0 92.9 45.2 12.0 13.3 -14.3 24 24 A D S S- 0 0 81 2,-0.2 3,-0.1 0, 0.0 -3,-0.0 0.520 73.9-105.7 -96.0 -4.9 10.4 9.9 -15.1 25 25 A G S S+ 0 0 25 -9,-0.1 2,-0.2 1,-0.1 40,-0.2 0.791 94.2 88.5 87.5 28.3 9.5 10.9 -18.7 26 26 A T - 0 0 39 38,-0.1 2,-0.5 39,-0.0 -2,-0.2 -0.777 66.1-143.8-160.0 111.3 5.8 11.4 -18.1 27 27 A I B -A 63 0A 0 36,-1.8 36,-1.2 -2,-0.2 2,-0.1 -0.630 25.1-165.2 -78.7 124.9 3.9 14.5 -16.8 28 28 A T > - 0 0 44 -2,-0.5 4,-1.5 34,-0.2 5,-0.3 -0.423 35.4-101.1-100.2-179.9 1.1 13.5 -14.5 29 29 A T H > S+ 0 0 46 1,-0.2 4,-1.3 2,-0.2 5,-0.1 0.875 122.4 49.6 -70.7 -34.0 -1.9 15.6 -13.3 30 30 A K H > S+ 0 0 146 2,-0.2 4,-2.8 3,-0.2 5,-0.2 0.966 109.5 50.3 -69.9 -50.5 -0.2 16.2 -9.9 31 31 A E H >> S+ 0 0 16 1,-0.2 4,-1.7 2,-0.2 3,-1.0 0.979 117.0 38.0 -51.4 -70.0 3.2 17.4 -11.4 32 32 A L H 3X S+ 0 0 0 -4,-1.5 4,-2.7 1,-0.3 5,-0.3 0.874 113.6 60.7 -51.2 -33.6 1.7 19.9 -13.8 33 33 A G H 3X S+ 0 0 5 -4,-1.3 4,-1.5 -5,-0.3 -1,-0.3 0.928 100.5 53.1 -61.6 -41.3 -0.8 20.7 -11.0 34 34 A T H X S+ 0 0 11 -4,-1.7 4,-2.1 1,-0.2 3,-0.6 0.954 112.5 47.7 -65.4 -46.5 3.4 24.1 -11.5 36 36 A M H 3<>S+ 0 0 1 -4,-2.7 5,-0.8 1,-0.2 4,-0.3 0.755 113.8 50.1 -66.5 -19.7 -0.1 25.6 -12.0 37 37 A R H 3<5S+ 0 0 158 -4,-1.5 -1,-0.2 -5,-0.3 -2,-0.2 0.671 109.1 51.2 -91.5 -17.2 -0.4 25.9 -8.2 38 38 A S H <<5S+ 0 0 64 -4,-1.2 -2,-0.2 -3,-0.6 -3,-0.1 0.896 96.5 64.4 -85.9 -43.1 3.0 27.7 -7.8 39 39 A L T <5S- 0 0 10 -4,-2.1 -1,-0.2 72,-0.2 -2,-0.1 0.811 128.8 -91.0 -51.0 -26.4 2.5 30.4 -10.5 40 40 A G T 5S+ 0 0 40 -4,-0.3 2,-0.2 1,-0.2 -3,-0.1 0.678 93.3 95.5 118.6 36.0 -0.2 31.7 -8.1 41 41 A Q < - 0 0 57 -5,-0.8 -1,-0.2 2,-0.0 0, 0.0 -0.666 65.5-120.3-136.4-166.6 -3.4 29.9 -9.4 42 42 A N - 0 0 122 -2,-0.2 -5,-0.1 -3,-0.1 -9,-0.0 -0.745 20.0-153.9-149.1 97.7 -5.5 26.8 -8.7 43 43 A P - 0 0 15 0, 0.0 2,-0.4 0, 0.0 3,-0.1 -0.330 21.1-122.7 -68.2 149.2 -6.0 24.1 -11.4 44 44 A T > - 0 0 69 1,-0.1 4,-3.9 -2,-0.0 5,-0.3 -0.791 12.3-127.6 -97.6 135.2 -9.2 22.0 -11.2 45 45 A E H > S+ 0 0 169 -2,-0.4 4,-1.8 1,-0.2 5,-0.2 0.906 113.3 42.8 -44.7 -45.0 -8.9 18.2 -11.0 46 46 A A H > S+ 0 0 56 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.987 117.9 42.5 -68.3 -57.3 -11.3 18.0 -13.9 47 47 A E H > S+ 0 0 69 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.947 111.8 56.8 -55.6 -47.7 -9.8 20.8 -16.0 48 48 A L H >X S+ 0 0 16 -4,-3.9 4,-2.9 1,-0.2 3,-0.8 0.968 109.3 43.6 -48.6 -62.6 -6.3 19.6 -15.2 49 49 A Q H 3X S+ 0 0 94 -4,-1.8 4,-1.1 -5,-0.3 -1,-0.2 0.923 114.8 50.7 -51.1 -44.0 -6.9 16.1 -16.6 50 50 A D H 3X S+ 0 0 98 -4,-2.4 4,-0.5 -5,-0.2 -1,-0.3 0.837 111.8 49.5 -65.0 -28.3 -8.7 17.7 -19.6 51 51 A M H XX S+ 0 0 27 -4,-2.7 3,-1.2 -3,-0.8 4,-0.9 0.954 112.5 43.3 -76.3 -49.4 -5.7 20.0 -20.1 52 52 A I H 3X S+ 0 0 0 -4,-2.9 4,-0.9 1,-0.2 -1,-0.2 0.660 109.0 63.3 -70.4 -10.0 -3.0 17.2 -19.9 53 53 A N H 3< S+ 0 0 83 -4,-1.1 -1,-0.2 -5,-0.4 -2,-0.2 0.709 92.1 64.2 -85.8 -19.4 -5.4 15.2 -22.2 54 54 A E H << S+ 0 0 120 -3,-1.2 -2,-0.2 -4,-0.5 -1,-0.1 0.986 111.3 32.0 -68.2 -57.0 -5.1 17.8 -25.0 55 55 A V H < S+ 0 0 8 -4,-0.9 2,-2.6 1,-0.1 3,-0.2 0.856 96.1 96.1 -69.7 -31.7 -1.4 17.3 -25.7 56 56 A D < + 0 0 10 -4,-0.9 -1,-0.1 -5,-0.2 3,-0.1 -0.285 46.4 164.4 -59.1 79.7 -1.7 13.6 -24.8 57 57 A A + 0 0 69 -2,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.761 68.3 62.0 -72.9 -22.0 -2.1 12.5 -28.4 58 58 A D S S- 0 0 110 -3,-0.2 -1,-0.2 4,-0.2 -2,-0.1 0.904 104.5-126.7 -71.6 -38.8 -1.4 8.8 -27.4 59 59 A G S S+ 0 0 68 3,-0.1 -2,-0.1 -3,-0.1 -3,-0.1 0.583 77.8 113.9 102.2 12.9 -4.4 8.6 -25.1 60 60 A N S S- 0 0 80 2,-0.2 3,-0.1 -7,-0.0 -7,-0.1 0.909 81.6-118.3 -82.9 -44.5 -2.4 7.4 -22.1 61 61 A G S S+ 0 0 17 1,-0.4 2,-0.4 -9,-0.2 -32,-0.1 0.510 81.3 89.9 116.3 11.3 -2.9 10.5 -19.8 62 62 A T - 0 0 35 -34,-0.1 -1,-0.4 -9,-0.1 -2,-0.2 -0.996 69.9-126.1-138.6 143.3 0.7 11.5 -19.4 63 63 A I B -A 27 0A 0 -36,-1.2 -36,-1.8 -2,-0.4 2,-0.3 -0.585 27.2-162.3 -87.1 150.8 2.9 13.9 -21.5 64 64 A D > - 0 0 37 -2,-0.2 4,-1.9 -38,-0.2 -38,-0.1 -0.869 34.6-102.3-129.7 165.0 6.3 12.7 -22.9 65 65 A F H > S+ 0 0 65 -2,-0.3 4,-1.7 1,-0.2 5,-0.2 0.921 124.8 43.3 -50.8 -47.4 9.5 14.3 -24.3 66 66 A P H > S+ 0 0 83 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.912 107.2 59.2 -67.9 -40.9 8.4 13.5 -27.8 67 67 A E H > S+ 0 0 10 1,-0.2 4,-0.8 2,-0.2 -2,-0.2 0.865 104.8 54.8 -56.7 -29.9 4.8 14.6 -27.2 68 68 A F H >X S+ 0 0 0 -4,-1.9 3,-2.4 2,-0.2 4,-1.7 0.997 103.7 48.9 -66.9 -63.3 6.4 18.0 -26.3 69 69 A L H 3< S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.778 119.3 44.3 -48.3 -22.2 8.3 18.5 -29.6 70 70 A T H 3< S+ 0 0 93 -4,-1.5 -1,-0.3 -5,-0.2 4,-0.3 0.571 107.1 58.8-100.6 -10.0 5.0 17.6 -31.2 71 71 A M H XX S+ 0 0 5 -3,-2.4 3,-1.4 -4,-0.8 4,-0.9 0.904 99.1 54.0 -86.0 -43.5 2.7 19.7 -28.9 72 72 A M T 3< S+ 0 0 14 -4,-1.7 4,-0.4 1,-0.3 -1,-0.2 0.656 109.2 53.6 -65.3 -10.0 4.3 23.2 -29.6 73 73 A A T 34 S+ 0 0 73 -5,-0.3 -1,-0.3 2,-0.1 -2,-0.2 0.579 103.5 53.4-100.0 -10.5 3.7 22.4 -33.3 74 74 A R T <4 S+ 0 0 140 -3,-1.4 -2,-0.2 -4,-0.3 3,-0.2 0.588 106.2 52.1 -98.8 -10.7 -0.1 21.6 -33.0 75 75 A K S < S+ 0 0 14 -4,-0.9 2,-2.4 1,-0.2 3,-0.4 0.739 87.9 79.8 -94.9 -25.5 -1.0 24.9 -31.3 76 76 A M S S+ 0 0 66 -4,-0.4 -1,-0.2 1,-0.2 5,-0.1 -0.211 76.6 84.2 -76.8 53.6 0.6 27.3 -33.8 77 77 A K S S- 0 0 135 -2,-2.4 -1,-0.2 -3,-0.2 -2,-0.1 0.703 109.1 -71.8-118.1 -64.2 -2.4 26.9 -36.1 78 78 A D S > S+ 0 0 144 -3,-0.4 3,-0.5 3,-0.0 4,-0.3 0.277 117.4 71.3-170.1 -32.6 -5.2 29.3 -35.3 79 79 A T T 3 S+ 0 0 98 1,-0.3 -3,-0.1 2,-0.1 -4,-0.0 0.350 118.8 19.7 -81.9 11.2 -7.0 28.1 -32.1 80 80 A D T 3 S+ 0 0 16 -5,-0.3 -1,-0.3 3,-0.0 -3,-0.1 -0.134 91.1 98.7-174.6 65.3 -3.9 29.2 -30.1 81 81 A S S < S+ 0 0 52 -3,-0.5 4,-0.3 -5,-0.1 -2,-0.1 0.670 98.1 16.6-122.5 -52.2 -1.6 31.7 -31.8 82 82 A E S > S+ 0 0 147 -4,-0.3 4,-0.9 2,-0.1 -3,-0.1 0.604 122.5 60.8 -99.8 -13.5 -2.3 35.2 -30.6 83 83 A E H > S+ 0 0 74 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.739 95.5 62.3 -84.3 -21.6 -4.3 34.1 -27.5 84 84 A E H > S+ 0 0 12 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.817 100.6 53.4 -73.2 -27.6 -1.2 32.3 -26.1 85 85 A I H > S+ 0 0 19 -4,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.918 104.4 53.5 -74.0 -40.8 0.7 35.6 -25.9 86 86 A R H X S+ 0 0 117 -4,-0.9 4,-2.3 2,-0.2 -1,-0.2 0.877 110.4 49.7 -61.9 -32.7 -2.0 37.3 -23.8 87 87 A E H X S+ 0 0 12 -4,-1.2 4,-2.1 2,-0.2 5,-0.2 0.987 108.0 49.6 -70.1 -56.6 -1.9 34.4 -21.4 88 88 A A H X S+ 0 0 0 -4,-2.1 4,-1.5 1,-0.2 -2,-0.2 0.894 111.3 54.6 -48.8 -36.0 1.9 34.4 -21.0 89 89 A F H >X S+ 0 0 6 -4,-2.2 4,-3.2 2,-0.2 3,-0.7 0.985 100.6 55.7 -62.7 -56.1 1.4 38.2 -20.4 90 90 A R H 3< S+ 0 0 97 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.912 103.1 57.8 -43.0 -47.3 -1.1 37.6 -17.6 91 91 A V H >< S+ 0 0 16 -4,-2.1 3,-0.6 1,-0.2 -1,-0.3 0.947 112.9 38.8 -51.1 -49.4 1.5 35.5 -15.8 92 92 A F H << S+ 0 0 0 -4,-1.5 2,-1.2 -3,-0.7 9,-0.3 0.939 118.2 49.1 -68.9 -44.7 3.9 38.5 -15.9 93 93 A D T >< + 0 0 11 -4,-3.2 3,-0.7 1,-0.2 -1,-0.3 -0.389 66.8 156.5 -92.3 60.9 1.1 41.1 -15.1 94 94 A K T < S+ 0 0 75 -2,-1.2 -1,-0.2 -3,-0.6 -2,-0.1 0.932 77.3 48.3 -51.3 -46.8 -0.4 39.2 -12.2 95 95 A D T 3 S- 0 0 97 -3,-0.3 -1,-0.3 1,-0.1 -2,-0.1 0.810 103.0-139.5 -66.0 -26.0 -1.8 42.5 -10.8 96 96 A G < + 0 0 54 -3,-0.7 -2,-0.1 -6,-0.2 4,-0.1 0.969 53.4 141.8 67.5 51.0 -3.2 43.2 -14.3 97 97 A N S S- 0 0 97 2,-0.4 3,-0.1 0, 0.0 -1,-0.1 0.662 76.0 -97.1 -97.0 -18.4 -2.3 46.9 -14.2 98 98 A G S S+ 0 0 30 1,-0.4 40,-0.3 -5,-0.1 2,-0.3 0.659 96.5 61.8 109.4 24.6 -1.3 47.2 -17.9 99 99 A Y - 0 0 61 38,-0.2 -2,-0.4 39,-0.1 -1,-0.4 -0.977 69.0-126.9-169.9 158.7 2.5 46.8 -17.4 100 100 A I B -B 136 0B 0 36,-3.2 36,-1.5 -2,-0.3 2,-0.4 -0.885 17.7-160.4-117.0 148.9 5.2 44.4 -16.2 101 101 A S > - 0 0 35 -2,-0.3 4,-2.1 -9,-0.3 3,-0.5 -0.956 36.5-109.8-127.8 146.7 7.9 45.1 -13.6 102 102 A A H > S+ 0 0 27 -2,-0.4 4,-2.5 32,-0.3 5,-0.2 0.826 121.0 59.9 -42.2 -29.5 11.2 43.2 -13.0 103 103 A A H > S+ 0 0 63 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.987 102.6 46.7 -65.7 -56.1 9.5 42.2 -9.8 104 104 A E H > S+ 0 0 25 -3,-0.5 4,-2.0 1,-0.2 -2,-0.2 0.900 115.2 49.0 -53.5 -38.1 6.6 40.4 -11.5 105 105 A L H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.911 106.8 54.5 -69.9 -39.2 9.1 38.7 -13.8 106 106 A R H X S+ 0 0 139 -4,-2.5 4,-1.7 -5,-0.3 -2,-0.2 0.886 107.6 52.2 -62.6 -34.2 11.3 37.7 -10.8 107 107 A H H X S+ 0 0 85 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.973 109.8 46.2 -66.5 -51.5 8.2 36.0 -9.3 108 108 A V H X S+ 0 0 1 -4,-2.0 4,-1.2 -5,-0.2 5,-0.3 0.895 106.7 63.7 -57.9 -37.4 7.4 34.0 -12.5 109 109 A M H >X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.3 3,-1.6 0.976 107.3 37.6 -52.1 -64.1 11.1 33.1 -12.6 110 110 A T H 3< S+ 0 0 67 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.717 110.7 65.2 -64.2 -15.4 11.2 31.1 -9.3 111 111 A N H 3< S+ 0 0 31 -4,-1.2 -1,-0.3 -5,-0.2 -2,-0.2 0.743 113.1 31.1 -79.1 -19.6 7.7 29.8 -10.3 112 112 A L H << S- 0 0 13 -3,-1.6 -2,-0.2 -4,-1.2 -1,-0.1 0.698 123.3 -96.6-107.3 -27.0 9.2 28.0 -13.2 113 113 A G S < S+ 0 0 36 -4,-2.5 2,-0.1 1,-0.4 -4,-0.1 -0.473 93.6 75.4 147.6 -74.3 12.7 27.2 -11.8 114 114 A E - 0 0 113 52,-0.1 -1,-0.4 -2,-0.1 2,-0.4 -0.399 55.8-159.5 -71.7 149.0 15.4 29.6 -12.8 115 115 A K - 0 0 128 -5,-0.1 -9,-0.1 -3,-0.1 6,-0.1 -0.704 17.3-138.8-130.5 82.0 15.6 33.1 -11.1 116 116 A L - 0 0 14 -2,-0.4 -6,-0.1 4,-0.1 -7,-0.1 0.037 27.9-109.6 -36.7 143.2 17.6 35.5 -13.2 117 117 A T - 0 0 85 1,-0.1 4,-0.4 4,-0.0 5,-0.0 0.378 35.3 -97.3 -58.0-153.1 19.8 37.7 -11.1 118 118 A D S > S+ 0 0 125 2,-0.1 4,-3.6 3,-0.1 5,-0.3 0.869 115.9 45.6 -98.8 -66.0 19.0 41.4 -10.6 119 119 A E H > S+ 0 0 143 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.920 117.3 49.2 -44.4 -47.5 21.1 43.4 -13.1 120 120 A E H > S+ 0 0 52 2,-0.2 4,-3.7 1,-0.2 5,-0.3 0.980 112.2 46.0 -58.6 -54.8 20.2 40.8 -15.7 121 121 A V H > S+ 0 0 7 -4,-0.4 4,-1.6 1,-0.2 -1,-0.2 0.911 114.1 50.5 -55.5 -39.6 16.5 41.1 -14.9 122 122 A D H X S+ 0 0 100 -4,-3.6 4,-1.8 1,-0.2 -1,-0.2 0.943 114.9 41.7 -65.6 -44.5 16.8 44.9 -14.9 123 123 A E H X S+ 0 0 59 -4,-3.2 4,-2.7 -5,-0.3 5,-0.3 0.894 107.7 61.8 -70.6 -36.7 18.5 44.9 -18.3 124 124 A M H X S+ 0 0 0 -4,-3.7 4,-0.7 -5,-0.3 -1,-0.2 0.898 111.6 39.0 -56.8 -37.4 16.1 42.2 -19.7 125 125 A I H X S+ 0 0 4 -4,-1.6 4,-1.9 -5,-0.3 -1,-0.2 0.825 112.3 56.8 -82.4 -31.2 13.3 44.7 -19.1 126 126 A R H < S+ 0 0 167 -4,-1.8 -2,-0.2 1,-0.2 -3,-0.2 0.893 104.3 52.6 -67.9 -36.7 15.3 47.7 -20.2 127 127 A E H < S+ 0 0 83 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.848 113.1 44.6 -68.5 -30.4 16.0 46.1 -23.6 128 128 A A H < S+ 0 0 2 -4,-0.7 2,-3.3 -5,-0.3 -1,-0.2 0.809 87.7 92.7 -83.0 -29.2 12.2 45.5 -24.1 129 129 A D >< + 0 0 17 -4,-1.9 3,-0.6 1,-0.2 -1,-0.1 -0.280 49.0 170.1 -63.7 72.1 11.3 49.0 -22.9 130 130 A I T 3 S+ 0 0 112 -2,-3.3 -1,-0.2 1,-0.3 -2,-0.1 0.785 82.6 41.6 -58.1 -21.9 11.3 50.4 -26.5 131 131 A D T 3 S- 0 0 84 -3,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.644 110.3-125.2 -98.8 -17.2 9.7 53.5 -24.9 132 132 A G < + 0 0 62 -3,-0.6 -2,-0.1 3,-0.1 4,-0.1 0.989 58.3 144.3 72.8 61.2 11.9 53.6 -21.8 133 133 A D S S- 0 0 57 2,-0.5 3,-0.1 -7,-0.0 -1,-0.1 0.380 70.6-108.1-111.0 2.9 9.2 53.6 -19.1 134 134 A G S S+ 0 0 56 1,-0.2 -32,-0.3 -9,-0.1 2,-0.3 0.465 96.8 55.0 85.3 -1.7 11.0 51.5 -16.6 135 135 A Q S S- 0 0 65 -34,-0.1 -2,-0.5 -10,-0.1 2,-0.4 -0.971 85.6-103.7-153.8 168.3 8.6 48.6 -17.3 136 136 A V B -B 100 0B 1 -36,-1.5 -36,-3.2 -2,-0.3 2,-0.1 -0.777 32.7-161.9-100.0 143.2 7.3 46.4 -20.2 137 137 A N > - 0 0 42 -2,-0.4 4,-1.8 -38,-0.2 -38,-0.2 -0.465 34.7 -95.6-111.2-173.7 3.8 47.0 -21.6 138 138 A Y H > S+ 0 0 88 -40,-0.3 4,-1.7 2,-0.2 5,-0.3 0.972 118.8 56.0 -69.8 -52.9 1.5 44.8 -23.8 139 139 A E H >> S+ 0 0 86 1,-0.2 4,-4.6 2,-0.2 3,-0.7 0.933 110.7 46.3 -45.2 -52.7 2.4 46.3 -27.2 140 140 A E H 3> S+ 0 0 2 1,-0.3 4,-2.1 2,-0.2 5,-0.3 0.983 106.9 55.4 -56.2 -58.9 6.1 45.5 -26.5 141 141 A F H 3< S+ 0 0 2 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.793 122.9 31.7 -46.4 -25.2 5.4 41.9 -25.3 142 142 A V H XX S+ 0 0 26 -4,-1.7 3,-2.6 -3,-0.7 4,-2.3 0.863 109.2 60.9-100.0 -54.0 3.6 41.5 -28.7 143 143 A Q H 3X S+ 0 0 97 -4,-4.6 4,-1.2 1,-0.3 -3,-0.2 0.791 106.9 53.9 -45.8 -24.3 5.6 43.8 -31.1 144 144 A M H 3< S+ 0 0 56 -4,-2.1 -1,-0.3 -5,-0.4 -2,-0.2 0.759 113.8 38.9 -83.9 -23.8 8.5 41.5 -30.2 145 145 A M H <4 S+ 0 0 31 -3,-2.6 3,-0.3 -5,-0.3 -2,-0.2 0.581 115.4 52.7-100.2 -11.5 6.5 38.3 -31.2 146 146 A T H < S+ 0 0 82 -4,-2.3 2,-2.3 1,-0.2 -3,-0.2 0.856 95.2 66.0 -91.0 -39.3 4.8 39.8 -34.2 147 147 A A < 0 0 73 -4,-1.2 -1,-0.2 -5,-0.4 -4,-0.0 -0.207 360.0 360.0 -77.5 52.9 7.9 41.1 -36.0 148 148 A K 0 0 236 -2,-2.3 -1,-0.2 -3,-0.3 25,-0.1 -0.185 360.0 360.0 43.0 360.0 9.2 37.6 -36.6 149 !* 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 1 B V 0 0 198 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 155.5 -13.3 35.6 -17.7 151 2 B K - 0 0 110 3,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.551 360.0-138.2-122.2-170.2 -10.5 33.2 -18.3 152 3 B L - 0 0 126 1,-0.3 0, 0.0 -2,-0.2 0, 0.0 -0.359 57.8 -72.6-152.1 65.5 -9.9 29.4 -17.7 153 4 B I S S- 0 0 44 -111,-0.0 -1,-0.3 -110,-0.0 2,-0.2 0.405 71.6 -64.2 57.2 152.5 -6.4 28.7 -16.4 154 5 B P - 0 0 22 0, 0.0 -70,-0.1 0, 0.0 5,-0.0 -0.479 56.6-130.7 -70.1 132.5 -3.3 29.0 -18.6 155 6 B S > - 0 0 26 -2,-0.2 4,-1.5 1,-0.0 -104,-0.0 0.117 29.9 -90.7 -69.5-167.2 -3.3 26.5 -21.5 156 7 B W H >> S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 3,-0.5 0.981 123.0 43.0 -73.1 -77.7 -0.3 24.3 -22.4 157 8 B T H 3> S+ 0 0 0 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.810 110.6 66.2 -40.9 -26.8 1.8 26.2 -24.9 158 9 B T H >> S+ 0 0 0 2,-0.2 3,-1.8 1,-0.2 4,-1.7 0.997 98.3 45.4 -61.4 -63.5 1.0 29.1 -22.5 159 10 B V H < S+ 0 0 22 -4,-1.5 3,-0.7 -5,-0.3 -2,-0.2 0.957 108.9 51.9 -65.0 -45.7 9.1 29.5 -19.3 164 15 B S H 3< S+ 0 0 6 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.909 104.0 58.7 -57.7 -36.9 10.6 30.0 -22.7 165 16 B M H 3< S+ 0 0 5 -4,-1.8 2,-3.3 1,-0.3 3,-0.3 0.892 88.9 75.8 -60.0 -34.5 10.8 33.7 -21.9 166 17 B L << + 0 0 3 -4,-1.4 -1,-0.3 -3,-0.7 -52,-0.1 -0.229 67.7 118.6 -72.6 56.9 12.9 32.7 -18.9 167 18 B R S S- 0 0 79 -2,-3.3 -1,-0.2 3,-0.3 -2,-0.1 0.886 83.2 -62.5 -88.6 -83.7 15.9 32.1 -21.2 168 19 B K S S- 0 0 109 -3,-0.3 -44,-0.1 2,-0.1 -52,-0.0 0.394 90.6 -40.8-133.4 -85.0 18.8 34.5 -20.4 169 20 B R S S+ 0 0 93 -46,-0.1 2,-0.2 -45,-0.1 -42,-0.1 0.114 104.8 89.3-142.3 23.9 18.5 38.3 -20.6 170 21 B S - 0 0 76 -5,-0.2 2,-0.3 2,-0.1 -3,-0.3 -0.596 61.6-134.6-114.5 178.9 16.5 38.9 -23.8 171 22 B F + 0 0 17 -2,-0.2 -6,-0.0 -5,-0.1 -5,-0.0 -0.985 57.7 46.7-137.6 148.2 12.8 39.2 -24.5 172 23 B G - 0 0 25 -2,-0.3 -27,-0.1 -27,-0.0 -30,-0.1 0.039 68.9-111.1 101.8 146.1 10.5 37.7 -27.2 173 24 B N - 0 0 10 1,-0.1 -8,-0.1 -25,-0.1 -12,-0.0 -0.950 9.1-157.2-119.3 134.8 10.2 34.1 -28.5 174 25 B P 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -26,-0.0 0.911 360.0 360.0 -72.4 -44.4 11.2 32.9 -31.9 175 26 B F 0 0 106 -167,-0.0 -103,-0.0 0, 0.0 -167,-0.0 -0.083 360.0 360.0 41.1 360.0 8.9 29.8 -31.8