==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 29-OCT-11 2LL7 . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.PIAZZA,K.FUTREGA,D.E.SPRATT,J.G.GUILLEMETTE,T.DIECKMANN . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10250.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 77 46.7 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 3.0 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 . 1 0.6 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 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 50 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 4 1 1 1 3 1 0 0 0 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 . 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 1 A A 0 0 142 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.0 -19.5 -2.1 -18.3 2 2 A D + 0 0 152 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.991 360.0 178.4-128.8 129.2 -17.9 -1.2 -15.0 3 3 A Q - 0 0 161 -2,-0.4 2,-0.4 2,-0.0 0, 0.0 -0.996 7.0-173.0-133.0 135.3 -19.3 -1.7 -11.5 4 4 A L + 0 0 94 -2,-0.4 2,-0.1 4,-0.0 -2,-0.0 -0.940 12.1 171.4-133.7 109.6 -17.8 -0.9 -8.1 5 5 A T >> - 0 0 82 -2,-0.4 4,-2.0 1,-0.0 3,-1.2 -0.355 58.8 -69.7-102.3-175.9 -19.5 -2.0 -4.9 6 6 A E H 3> S+ 0 0 174 1,-0.3 4,-0.9 2,-0.2 5,-0.0 0.638 132.4 57.5 -50.4 -17.6 -18.3 -2.0 -1.2 7 7 A E H 3> S+ 0 0 139 2,-0.2 4,-0.6 1,-0.1 -1,-0.3 0.839 111.6 36.7 -84.9 -37.3 -15.8 -4.8 -2.2 8 8 A Q H <4 S+ 0 0 71 -3,-1.2 4,-0.5 2,-0.2 -2,-0.2 0.666 117.2 53.5 -87.4 -20.5 -14.0 -2.8 -5.0 9 9 A I H X S+ 0 0 77 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.795 102.6 55.8 -83.8 -33.5 -14.2 0.5 -3.1 10 10 A A H X S+ 0 0 45 -4,-0.9 4,-1.9 -5,-0.3 -2,-0.2 0.824 110.2 45.9 -68.7 -32.7 -12.7 -0.8 0.2 11 11 A E H < S+ 0 0 26 -4,-0.6 4,-0.3 2,-0.2 -1,-0.2 0.722 116.3 46.3 -79.6 -23.3 -9.6 -2.0 -1.7 12 12 A F H 4 S+ 0 0 69 -4,-0.5 4,-0.4 2,-0.2 -2,-0.2 0.720 117.2 43.6 -86.5 -26.8 -9.6 1.4 -3.5 13 13 A K H X S+ 0 0 123 -4,-1.9 4,-2.6 2,-0.2 3,-0.3 0.757 99.2 72.0 -86.2 -32.3 -10.1 3.2 -0.2 14 14 A E T < S+ 0 0 23 -4,-1.9 4,-0.2 1,-0.3 -1,-0.2 0.768 102.3 45.1 -53.5 -29.1 -7.5 1.0 1.6 15 15 A A T > S+ 0 0 5 -4,-0.3 4,-0.9 2,-0.1 3,-0.4 0.769 114.6 47.2 -85.0 -30.3 -4.8 2.9 -0.4 16 16 A F H > S+ 0 0 8 -4,-0.4 4,-1.2 -3,-0.3 -2,-0.2 0.715 97.7 71.0 -82.1 -24.6 -6.4 6.3 0.3 17 17 A S H < S+ 0 0 9 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.1 0.685 102.7 44.7 -65.8 -19.8 -6.8 5.6 4.1 18 18 A L H 4 S+ 0 0 5 -3,-0.4 -1,-0.2 -4,-0.2 -2,-0.2 0.879 115.7 41.1 -91.8 -46.4 -3.0 5.9 4.5 19 19 A F H < S+ 0 0 24 -4,-0.9 9,-0.4 1,-0.1 2,-0.4 0.564 117.8 56.1 -79.3 -9.0 -2.2 9.1 2.5 20 20 A D < - 0 0 6 -4,-1.2 -1,-0.1 7,-0.1 7,-0.1 -0.992 61.7-164.7-129.3 126.6 -5.4 10.7 3.9 21 21 A K S S+ 0 0 157 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.0 0.783 97.4 12.2 -76.7 -30.5 -6.1 11.2 7.6 22 22 A D S S- 0 0 127 0, 0.0 -1,-0.1 0, 0.0 -5,-0.1 0.477 100.2-120.5-123.8 -11.8 -9.8 12.0 7.1 23 23 A G + 0 0 43 -7,-0.2 4,-0.1 3,-0.1 -6,-0.1 0.978 48.1 161.3 67.0 59.1 -10.4 11.1 3.4 24 24 A D - 0 0 101 2,-0.4 3,-0.1 40,-0.0 -1,-0.1 0.524 64.5-100.3 -86.1 -8.0 -11.5 14.4 2.0 25 25 A G S S+ 0 0 20 1,-0.2 2,-0.4 -9,-0.1 40,-0.1 0.206 100.4 75.4 107.5 -13.6 -10.7 13.4 -1.6 26 26 A T - 0 0 46 38,-0.1 -2,-0.4 39,-0.1 2,-0.3 -0.996 62.6-156.6-134.1 137.0 -7.4 15.2 -1.8 27 27 A I B -A 63 0A 11 36,-1.3 36,-0.8 -2,-0.4 2,-0.2 -0.885 17.4-120.7-117.2 146.4 -4.0 14.3 -0.3 28 28 A T >> - 0 0 75 -9,-0.4 3,-1.7 -2,-0.3 4,-0.6 -0.531 20.2-124.3 -82.3 147.5 -0.9 16.4 0.6 29 29 A T T 34 S+ 0 0 20 1,-0.3 4,-0.5 -2,-0.2 3,-0.2 0.672 112.0 65.0 -62.1 -15.7 2.5 15.8 -0.9 30 30 A K T 34 S+ 0 0 168 1,-0.2 4,-0.3 2,-0.2 -1,-0.3 0.659 89.7 63.3 -81.7 -19.7 3.6 15.5 2.7 31 31 A E T X> S+ 0 0 29 -3,-1.7 4,-1.3 1,-0.2 3,-0.6 0.774 90.1 67.0 -75.7 -29.9 1.5 12.4 3.4 32 32 A L H 3X S+ 0 0 9 -4,-0.6 4,-2.7 1,-0.3 3,-0.4 0.889 101.3 48.7 -55.2 -42.7 3.6 10.3 0.8 33 33 A G H 3> S+ 0 0 7 -4,-0.5 4,-1.9 1,-0.2 -1,-0.3 0.649 105.2 59.3 -71.1 -17.9 6.6 10.6 3.1 34 34 A T H <4 S+ 0 0 31 -3,-0.6 -1,-0.2 -4,-0.3 -2,-0.2 0.768 112.2 37.7 -78.8 -31.4 4.4 9.5 5.9 35 35 A V H X S+ 0 0 13 -4,-1.3 4,-1.4 -3,-0.4 -2,-0.2 0.797 119.0 49.0 -86.0 -36.7 3.7 6.3 4.0 36 36 A M H X>S+ 0 0 14 -4,-2.7 4,-1.3 2,-0.3 5,-0.7 0.865 105.9 56.2 -69.9 -40.0 7.3 6.1 2.8 37 37 A R H <5S+ 0 0 196 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.715 112.4 44.6 -61.8 -19.9 8.5 6.7 6.4 38 38 A S H 45S+ 0 0 28 3,-0.2 -2,-0.3 -3,-0.2 -1,-0.2 0.716 108.1 55.0 -92.5 -29.5 6.4 3.6 7.1 39 39 A L H <5S- 0 0 12 -4,-1.4 -2,-0.2 2,-0.3 -3,-0.2 0.666 117.9-119.1 -73.0 -19.1 7.7 1.8 4.0 40 40 A G T <5S+ 0 0 54 -4,-1.3 2,-0.5 -5,-0.1 -3,-0.2 0.058 91.3 84.7 100.2 -21.6 11.1 2.5 5.6 41 41 A Q < + 0 0 116 -5,-0.7 -2,-0.3 -6,-0.1 -3,-0.2 -0.970 50.7 165.9-117.2 126.5 12.2 4.5 2.6 42 42 A N - 0 0 75 -2,-0.5 -9,-0.1 -5,-0.1 6,-0.1 -0.971 22.0-142.7-144.1 121.6 11.2 8.2 2.3 43 43 A P - 0 0 35 0, 0.0 5,-0.1 0, 0.0 -7,-0.1 -0.124 36.0 -76.2 -76.2 175.3 12.7 10.9 -0.1 44 44 A T > - 0 0 83 1,-0.1 4,-1.1 3,-0.1 5,-0.2 0.025 52.7 -90.2 -64.0 175.4 13.4 14.6 0.5 45 45 A E H > S+ 0 0 162 1,-0.2 4,-0.6 2,-0.2 3,-0.1 0.887 127.4 32.9 -57.1 -49.2 10.8 17.4 0.6 46 46 A A H > S+ 0 0 61 2,-0.2 4,-0.6 1,-0.2 -1,-0.2 0.711 112.2 63.3 -82.3 -21.7 10.9 18.2 -3.1 47 47 A E H 4 S+ 0 0 120 1,-0.2 -2,-0.2 2,-0.2 -1,-0.2 0.700 103.7 49.4 -74.4 -20.0 11.7 14.6 -4.2 48 48 A L H >< S+ 0 0 17 -4,-1.1 3,-1.0 2,-0.2 4,-0.4 0.740 102.8 59.1 -87.2 -29.2 8.3 13.6 -2.8 49 49 A Q H 3X S+ 0 0 106 -4,-0.6 4,-0.7 1,-0.2 3,-0.4 0.648 94.8 67.7 -72.6 -15.9 6.4 16.4 -4.6 50 50 A D T 3< S+ 0 0 98 -4,-0.6 4,-0.5 1,-0.2 -1,-0.2 0.661 87.1 67.3 -75.5 -20.2 7.7 14.8 -7.8 51 51 A M T <4 S+ 0 0 16 -3,-1.0 3,-0.3 1,-0.2 -1,-0.2 0.785 100.5 47.5 -71.6 -30.3 5.5 11.8 -7.2 52 52 A I T >> S+ 0 0 11 -3,-0.4 4,-2.1 -4,-0.4 3,-1.3 0.746 101.8 64.9 -81.1 -26.4 2.3 13.8 -7.8 53 53 A N T 3< S+ 0 0 99 -4,-0.7 -1,-0.2 1,-0.2 -2,-0.2 0.686 80.9 81.0 -68.3 -20.2 3.8 15.3 -11.0 54 54 A E T 34 S+ 0 0 46 -4,-0.5 -1,-0.2 -3,-0.3 -2,-0.1 0.700 115.1 15.9 -58.9 -21.0 3.8 11.8 -12.6 55 55 A V T <4 S- 0 0 40 -3,-1.3 -2,-0.2 -4,-0.1 -1,-0.2 0.594 88.9-165.8-120.7 -31.5 0.0 12.4 -13.3 56 56 A D < + 0 0 75 -4,-2.1 -3,-0.1 1,-0.1 7,-0.1 0.895 21.3 161.9 36.9 70.0 -0.1 16.3 -12.8 57 57 A A S S+ 0 0 47 -5,-0.3 6,-0.1 5,-0.2 -1,-0.1 0.875 85.8 5.6 -78.9 -41.6 -3.9 16.7 -12.6 58 58 A D S S- 0 0 87 4,-0.5 5,-0.1 0, 0.0 -1,-0.1 0.467 90.3-135.4-117.6 -10.8 -3.7 20.1 -10.9 59 59 A G S S+ 0 0 42 -7,-0.2 4,-0.1 3,-0.2 -6,-0.1 0.744 82.9 97.7 57.7 27.4 0.0 20.6 -11.1 60 60 A N S S- 0 0 127 2,-0.4 3,-0.1 -8,-0.1 -1,-0.1 0.470 102.8-100.6-118.1 -10.2 -0.0 21.9 -7.5 61 61 A G S S+ 0 0 11 1,-0.4 2,-0.3 -9,-0.1 -34,-0.0 0.178 91.3 108.0 106.5 -15.0 1.0 18.8 -5.6 62 62 A T - 0 0 57 -34,-0.1 -4,-0.5 -33,-0.1 -1,-0.4 -0.742 48.3-168.9 -96.5 144.0 -2.6 17.9 -4.6 63 63 A I B -A 27 0A 4 -36,-0.8 -36,-1.3 -2,-0.3 -38,-0.0 -0.977 12.3-135.8-137.3 148.4 -4.4 15.0 -6.1 64 64 A D > - 0 0 57 -2,-0.3 4,-0.7 -38,-0.2 -38,-0.1 -0.045 37.0 -92.6 -86.1-169.6 -8.0 13.6 -6.2 65 65 A F H > S+ 0 0 67 2,-0.2 4,-0.7 1,-0.2 3,-0.4 0.946 120.8 35.4 -75.9 -52.9 -9.4 10.0 -5.8 66 66 A P H 4 S+ 0 0 80 0, 0.0 4,-0.4 0, 0.0 -1,-0.2 0.613 115.3 60.1 -77.7 -10.5 -9.6 8.9 -9.5 67 67 A E H > S+ 0 0 63 2,-0.1 4,-0.6 3,-0.1 -2,-0.2 0.713 98.3 50.8 -91.6 -23.7 -6.5 10.8 -10.5 68 68 A F H < S+ 0 0 20 -4,-0.7 4,-0.4 -3,-0.4 -1,-0.1 0.883 112.5 43.1 -83.8 -38.6 -3.7 9.3 -8.2 69 69 A L T X S+ 0 0 29 -4,-0.7 4,-1.1 1,-0.2 -1,-0.1 0.686 102.4 70.4 -79.1 -20.9 -4.3 5.6 -9.0 70 70 A T H > S+ 0 0 71 -4,-0.4 4,-0.6 2,-0.2 3,-0.4 0.943 105.6 34.4 -63.9 -52.8 -4.7 6.1 -12.8 71 71 A M H < S+ 0 0 72 -4,-0.6 -1,-0.2 1,-0.2 -2,-0.1 0.623 122.1 51.3 -77.4 -13.2 -1.1 7.0 -13.7 72 72 A M H 4 S+ 0 0 28 -4,-0.4 -2,-0.2 2,-0.1 -1,-0.2 0.574 99.3 63.0 -96.2 -16.1 0.0 4.6 -11.0 73 73 A A H < S+ 0 0 55 -4,-1.1 3,-0.4 -3,-0.4 4,-0.3 0.699 103.5 48.6 -82.3 -21.4 -2.1 1.6 -12.3 74 74 A R S < S+ 0 0 170 -4,-0.6 4,-0.3 1,-0.2 -1,-0.2 0.479 100.8 66.6 -93.5 -7.7 -0.3 1.5 -15.6 75 75 A K S S+ 0 0 57 2,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.359 82.1 76.3 -95.9 2.0 3.1 1.6 -13.8 76 76 A M S S+ 0 0 36 -3,-0.4 3,-0.3 1,-0.1 4,-0.2 0.901 110.3 24.9 -78.1 -44.4 2.7 -1.9 -12.2 77 77 A K S S+ 0 0 200 -4,-0.3 -2,-0.2 1,-0.2 -1,-0.1 0.465 105.3 83.4 -96.4 -6.2 3.4 -3.8 -15.4 78 78 A D S S+ 0 0 130 -4,-0.3 -1,-0.2 2,-0.1 -2,-0.1 0.122 107.3 15.5 -86.8 23.5 5.5 -1.0 -17.0 79 79 A T S S- 0 0 87 -3,-0.3 2,-0.2 0, 0.0 -2,-0.1 0.012 110.9 -65.9-149.4-100.3 8.6 -2.1 -15.1 80 80 A D - 0 0 70 -4,-0.2 4,-0.2 -2,-0.0 3,-0.2 -0.580 30.7-177.1-177.0 104.9 9.2 -5.5 -13.3 81 81 A S S > S+ 0 0 29 1,-0.2 4,-0.7 2,-0.2 -4,-0.1 0.440 79.0 75.3 -88.5 -0.9 7.2 -6.7 -10.2 82 82 A E H > S+ 0 0 147 2,-0.2 4,-0.5 1,-0.2 3,-0.3 0.874 96.9 46.0 -75.9 -39.9 9.3 -9.9 -10.0 83 83 A E H 4 S+ 0 0 121 1,-0.2 4,-0.4 -3,-0.2 -1,-0.2 0.681 112.4 55.4 -71.2 -18.7 12.3 -8.0 -8.6 84 84 A E H > S+ 0 0 8 -4,-0.2 4,-1.8 2,-0.2 5,-0.2 0.670 86.8 76.5 -84.7 -23.6 9.6 -6.4 -6.4 85 85 A I H < S+ 0 0 24 -4,-0.7 4,-0.3 -3,-0.3 -1,-0.2 0.828 101.4 42.7 -57.8 -33.8 8.4 -9.8 -5.0 86 86 A R T X S+ 0 0 131 -4,-0.5 4,-1.3 -3,-0.2 -1,-0.2 0.726 106.0 64.0 -83.6 -26.1 11.5 -9.9 -2.8 87 87 A E H >> S+ 0 0 68 -4,-0.4 4,-2.1 2,-0.2 3,-0.6 0.948 99.1 50.1 -65.1 -51.8 11.2 -6.2 -1.8 88 88 A A H 3X S+ 0 0 4 -4,-1.8 4,-1.9 1,-0.3 5,-0.2 0.751 113.5 49.9 -57.7 -24.7 7.9 -6.4 0.0 89 89 A F H 3> S+ 0 0 49 -4,-0.3 4,-1.0 -5,-0.2 -1,-0.3 0.765 111.8 46.7 -81.5 -31.6 9.6 -9.3 1.8 90 90 A R H << S+ 0 0 182 -4,-1.3 -2,-0.2 -3,-0.6 -3,-0.2 0.689 119.2 41.4 -81.8 -22.7 12.6 -7.2 2.6 91 91 A V H < S+ 0 0 44 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.916 118.3 40.8 -87.9 -57.1 10.4 -4.3 3.8 92 92 A F H < S+ 0 0 25 -4,-1.9 2,-0.7 -5,-0.2 -3,-0.2 0.880 91.7 92.5 -62.2 -43.7 7.7 -6.1 5.8 93 93 A D < + 0 0 22 -4,-1.0 7,-0.1 -5,-0.2 -1,-0.1 -0.389 46.8 169.6 -60.9 100.0 10.1 -8.6 7.5 94 94 A K S S+ 0 0 159 -2,-0.7 -1,-0.2 5,-0.1 6,-0.1 0.911 82.1 22.5 -78.4 -47.4 11.0 -6.8 10.8 95 95 A D S S- 0 0 144 4,-0.2 -1,-0.1 0, 0.0 -2,-0.1 0.544 103.8-123.9 -97.2 -11.3 12.8 -9.7 12.5 96 96 A G + 0 0 58 -7,-0.1 4,-0.1 3,-0.1 -3,-0.1 0.928 69.3 129.4 68.2 47.9 13.6 -11.6 9.3 97 97 A N S S- 0 0 99 2,-0.3 3,-0.1 0, 0.0 -1,-0.0 0.563 81.0-103.2-105.8 -15.3 11.9 -14.9 10.2 98 98 A G S S+ 0 0 13 1,-0.2 2,-0.4 -9,-0.1 40,-0.2 0.353 98.0 78.0 106.8 -2.7 9.8 -15.3 7.1 99 99 A Y - 0 0 75 38,-0.1 2,-0.6 39,-0.1 -2,-0.3 -0.996 61.2-157.0-140.7 130.7 6.5 -14.2 8.6 100 100 A I E -B 136 0B 15 36,-1.2 36,-1.4 -2,-0.4 -7,-0.1 -0.943 16.0-142.8-115.5 115.6 5.4 -10.7 9.3 101 101 A S E > -B 135 0B 34 -2,-0.6 4,-0.9 34,-0.2 3,-0.3 -0.360 11.8-136.6 -75.0 152.6 2.7 -10.2 12.0 102 102 A A H > S+ 0 0 0 32,-0.7 4,-1.9 1,-0.2 5,-0.3 0.645 95.2 78.6 -80.5 -18.4 -0.1 -7.6 11.7 103 103 A A H 4 S+ 0 0 39 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.860 108.0 28.0 -57.6 -42.3 0.4 -6.7 15.4 104 104 A E H > S+ 0 0 106 -3,-0.3 4,-0.9 2,-0.1 -1,-0.2 0.748 113.1 70.9 -87.7 -29.3 3.4 -4.6 14.5 105 105 A L H X S+ 0 0 10 -4,-0.9 4,-1.0 1,-0.2 -2,-0.2 0.854 102.4 37.9 -57.7 -47.2 2.1 -3.8 11.0 106 106 A R H X S+ 0 0 5 -4,-1.9 4,-1.4 12,-0.4 12,-0.2 0.661 111.0 58.0 -84.5 -16.0 -0.8 -1.4 11.8 107 107 A H H 4 S+ 0 0 110 -4,-0.3 4,-0.2 -5,-0.3 -1,-0.2 0.673 108.4 51.8 -75.2 -23.1 1.1 0.3 14.7 108 108 A V H < S+ 0 0 53 -4,-0.9 3,-0.4 2,-0.2 -2,-0.2 0.820 114.9 37.3 -77.7 -42.4 3.5 1.0 11.8 109 109 A M H >< S+ 0 0 11 -4,-1.0 3,-1.5 1,-0.2 4,-0.4 0.637 101.4 79.8 -83.8 -19.7 0.7 2.4 9.6 110 110 A T G >< S+ 0 0 51 -4,-1.4 3,-0.6 1,-0.3 4,-0.4 0.662 73.7 74.7 -63.4 -20.5 -0.9 4.1 12.8 111 111 A N G 3 S+ 0 0 128 -3,-0.4 -1,-0.3 1,-0.2 -2,-0.1 0.516 93.4 56.5 -71.5 -4.1 1.6 7.0 12.6 112 112 A L G < S- 0 0 14 -3,-1.5 -1,-0.2 -92,-0.1 -2,-0.2 0.710 130.4 -86.8 -96.3 -28.9 -0.4 8.3 9.7 113 113 A G < - 0 0 41 -3,-0.6 2,-0.2 -4,-0.4 -3,-0.1 0.690 58.2-175.4 118.3 50.5 -3.8 8.5 11.5 114 114 A E - 0 0 23 -4,-0.4 -96,-0.1 -8,-0.2 -93,-0.1 -0.480 28.1-150.7 -78.3 143.3 -5.4 5.0 11.2 115 115 A K S S+ 0 0 139 -2,-0.2 2,-0.4 -98,-0.1 -1,-0.1 0.156 84.0 71.4 -95.0 16.2 -8.9 4.3 12.4 116 116 A L S S- 0 0 58 -10,-0.1 2,-0.2 3,-0.0 -2,-0.1 -0.991 80.9-126.7-134.4 139.7 -7.6 0.7 13.0 117 117 A T > - 0 0 49 -2,-0.4 4,-1.6 1,-0.1 5,-0.2 -0.592 21.9-117.7 -92.0 149.4 -5.2 -0.6 15.6 118 118 A D T 4 S+ 0 0 29 -2,-0.2 -12,-0.4 -12,-0.2 4,-0.2 0.746 117.2 41.9 -46.4 -31.1 -2.1 -2.7 15.1 119 119 A E T >4 S+ 0 0 128 2,-0.1 3,-1.5 1,-0.1 -1,-0.2 0.947 109.7 49.1 -85.5 -60.2 -3.9 -5.4 17.2 120 120 A E G >4 S+ 0 0 123 1,-0.3 3,-0.7 2,-0.1 -2,-0.2 0.627 102.3 66.5 -60.4 -17.2 -7.6 -5.5 15.9 121 121 A V G >< S+ 0 0 2 -4,-1.6 3,-4.1 1,-0.2 4,-0.3 0.751 72.6 88.8 -75.9 -29.5 -6.4 -5.6 12.3 122 122 A D G <> S+ 0 0 43 -3,-1.5 4,-0.5 1,-0.3 -1,-0.2 0.608 70.1 77.5 -43.7 -18.7 -4.9 -9.1 12.7 123 123 A E G <4 S+ 0 0 162 -3,-0.7 -1,-0.3 1,-0.2 3,-0.1 0.685 91.3 56.9 -64.6 -17.6 -8.3 -10.4 11.8 124 124 A M T X4 S+ 0 0 40 -3,-4.1 3,-2.5 1,-0.2 4,-0.3 0.824 84.4 74.9 -83.2 -36.6 -7.1 -9.5 8.3 125 125 A I G >> S+ 0 0 9 -4,-0.3 3,-2.2 1,-0.3 4,-1.9 0.786 79.4 78.9 -46.8 -32.0 -3.9 -11.6 8.1 126 126 A R G 3< S+ 0 0 224 -4,-0.5 -1,-0.3 1,-0.3 -2,-0.1 0.599 84.9 61.6 -53.7 -15.1 -6.3 -14.6 7.7 127 127 A E G <4 S+ 0 0 44 -3,-2.5 -1,-0.3 1,-0.1 -2,-0.2 0.743 121.2 19.9 -84.2 -27.5 -6.6 -13.6 4.0 128 128 A A T <4 S+ 0 0 2 -3,-2.2 2,-1.6 -4,-0.3 9,-0.5 0.328 95.1 109.4-121.7 0.5 -2.9 -14.1 3.2 129 129 A D < + 0 0 31 -4,-1.9 7,-0.1 1,-0.2 -1,-0.0 -0.620 27.9 148.0 -84.1 84.0 -2.0 -16.4 6.2 130 130 A I S S+ 0 0 87 -2,-1.6 -1,-0.2 1,-0.1 6,-0.1 0.640 73.1 49.3 -90.9 -18.8 -1.5 -19.6 4.3 131 131 A D S S- 0 0 87 4,-0.3 -1,-0.1 -3,-0.2 -2,-0.1 0.557 102.2-133.0 -95.5 -11.9 1.2 -20.9 6.7 132 132 A G + 0 0 64 3,-0.2 4,-0.1 1,-0.1 -3,-0.1 0.802 66.6 127.2 65.7 34.1 -1.0 -20.2 9.8 133 133 A D S S- 0 0 88 2,-0.5 3,-0.1 -33,-0.0 -1,-0.1 0.312 85.5-106.9 -99.8 8.1 1.7 -18.5 11.9 134 134 A G S S+ 0 0 32 1,-0.4 -32,-0.7 -33,-0.1 2,-0.2 0.626 99.1 76.1 75.4 12.9 -0.5 -15.4 12.5 135 135 A Q E S-B 101 0B 44 -34,-0.2 -2,-0.5 -10,-0.1 2,-0.4 -0.824 92.0 -87.7-141.7 176.1 1.8 -13.6 10.0 136 136 A V E -B 100 0B 3 -36,-1.4 -36,-1.2 -2,-0.2 -7,-0.1 -0.808 39.2-153.2 -98.3 134.9 2.4 -13.5 6.2 137 137 A N >> - 0 0 26 -9,-0.5 4,-0.5 -2,-0.4 3,-0.5 -0.260 32.4-101.1 -95.0-176.9 4.8 -16.0 4.6 138 138 A Y H 3> S+ 0 0 98 -40,-0.2 4,-0.7 1,-0.2 3,-0.1 0.687 118.8 63.9 -76.7 -20.4 7.0 -15.9 1.4 139 139 A E H 34 S+ 0 0 120 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.683 94.0 58.6 -76.9 -22.7 4.3 -18.0 -0.3 140 140 A E H <> S+ 0 0 3 -3,-0.5 4,-2.5 2,-0.2 5,-0.4 0.777 94.1 66.2 -80.4 -27.5 1.6 -15.3 -0.0 141 141 A F H X>S+ 0 0 5 -4,-0.5 4,-2.8 1,-0.2 5,-0.8 0.961 103.1 43.7 -54.0 -59.8 3.6 -12.6 -2.0 142 142 A V H <5S+ 0 0 64 -4,-0.7 5,-0.5 1,-0.2 -1,-0.2 0.696 115.4 52.2 -60.5 -23.9 3.5 -14.5 -5.3 143 143 A Q H 45S+ 0 0 107 -4,-0.5 4,-0.3 3,-0.2 -1,-0.2 0.915 121.2 26.4 -80.6 -47.8 -0.2 -15.3 -4.8 144 144 A M H <5S+ 0 0 9 -4,-2.5 -2,-0.2 2,-0.1 -3,-0.2 0.886 130.9 36.6 -83.8 -43.8 -1.6 -11.8 -4.0 145 145 A M T <5S+ 0 0 17 -4,-2.8 3,-0.3 -5,-0.4 -3,-0.2 0.900 127.1 34.3 -78.7 -44.5 1.0 -9.6 -5.9 146 146 A T S S+ 0 0 7 -29,-0.2 4,-0.7 2,-0.1 -28,-0.0 0.417 122.1 66.5-118.6 -10.4 -4.6 -6.9 3.2 154 153 B K H > S+ 0 0 40 2,-0.2 4,-1.6 3,-0.1 5,-0.1 0.799 103.1 46.2 -81.1 -33.3 -3.5 -7.7 -0.4 155 154 B E H > S+ 0 0 15 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.853 109.0 54.1 -76.4 -38.6 -4.0 -4.0 -1.5 156 155 B V H > S+ 0 0 2 1,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.819 112.6 46.0 -63.5 -32.4 -2.2 -2.6 1.6 157 156 B A H X S+ 0 0 6 -4,-0.7 4,-0.6 2,-0.2 3,-0.3 0.852 113.3 47.6 -76.4 -39.7 0.8 -4.9 0.6 158 157 B N H X S+ 0 0 6 -4,-1.6 4,-1.3 1,-0.2 3,-0.3 0.786 103.0 63.3 -71.9 -30.2 0.6 -3.9 -3.1 159 158 B A H X S+ 0 0 3 -4,-2.3 4,-1.5 1,-0.2 -1,-0.2 0.815 101.0 52.5 -62.1 -32.7 0.4 -0.2 -2.0 160 159 B V H < S+ 0 0 12 -4,-0.6 4,-0.4 -3,-0.3 -1,-0.2 0.770 107.4 52.7 -71.7 -29.4 3.9 -0.6 -0.5 161 160 B K H < S+ 0 0 5 -4,-0.6 4,-0.4 -3,-0.3 -2,-0.2 0.747 111.4 45.2 -77.1 -27.6 5.1 -2.0 -3.9 162 161 B I H < S+ 0 0 27 -4,-1.3 -2,-0.2 2,-0.2 -1,-0.2 0.749 106.5 58.5 -87.2 -28.7 3.7 1.0 -5.8 163 162 B S S < S+ 0 0 5 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.591 111.7 42.5 -76.7 -12.3 5.2 3.6 -3.3 164 163 B A S S+ 0 0 41 -4,-0.4 -1,-0.2 1,-0.1 -2,-0.2 0.567 103.2 64.6-107.4 -16.4 8.7 2.2 -4.0 165 164 B S 0 0 37 -4,-0.4 -2,-0.1 -5,-0.0 -1,-0.1 0.214 360.0 360.0 -92.1 14.4 8.4 1.8 -7.8 166 165 B L 0 0 85 -3,-0.1 -115,-0.1 -4,-0.0 -94,-0.0 -0.797 360.0 360.0 -91.7 360.0 8.1 5.6 -8.2