==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 25-JAN-13 2M3S . COMPND 2 MOLECULE: CALMODULIN; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR Y.S.MOROZ,Y.WU,H.CHENG,H.RODER,I.V.KORENDOVYCH . 151 1 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) . 98 64.9 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 2.6 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 . 6 4.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 69 45.7 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 0 0 1 1 4 2 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 . 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 S 0 0 120 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 105.6 10.2 13.3 -5.3 2 2 A L + 0 0 119 1,-0.1 4,-0.0 2,-0.1 0, 0.0 -0.780 360.0 109.8-118.3 82.8 9.6 12.5 -9.1 3 3 A M S > S+ 0 0 44 -2,-0.4 4,-0.8 2,-0.1 -1,-0.1 0.676 73.7 50.5-122.4 -50.5 5.8 12.2 -9.2 4 4 A A T 4 S+ 0 0 51 1,-0.2 8,-0.1 2,-0.2 7,-0.1 0.720 111.8 55.4 -58.9 -21.3 4.6 15.3 -11.1 5 5 A D T 4 S+ 0 0 128 1,-0.2 -1,-0.2 -4,-0.0 -2,-0.1 0.860 104.5 49.1 -84.4 -38.6 7.3 14.2 -13.7 6 6 A Q T 4 S+ 0 0 144 -3,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.578 111.6 64.1 -75.9 -13.5 5.8 10.7 -14.1 7 7 A L S < S- 0 0 37 -4,-0.8 2,-0.2 1,-0.0 -4,-0.0 -0.657 79.3-128.1-104.2 165.4 2.3 12.3 -14.6 8 8 A T >> - 0 0 52 -2,-0.2 4,-2.4 1,-0.0 3,-0.6 -0.601 32.7-104.4-100.6 170.5 0.9 14.7 -17.3 9 9 A E H 3> S+ 0 0 152 1,-0.2 4,-1.7 2,-0.2 5,-0.1 0.737 122.8 65.1 -67.1 -24.5 -0.8 18.1 -16.8 10 10 A E H 3> S+ 0 0 150 2,-0.2 4,-1.1 1,-0.1 -1,-0.2 0.879 111.0 34.7 -57.4 -41.1 -4.1 16.2 -17.7 11 11 A Q H <> S+ 0 0 71 -3,-0.6 4,-1.5 2,-0.2 -2,-0.2 0.850 114.8 54.8 -85.8 -40.0 -3.5 14.1 -14.4 12 12 A I H X S+ 0 0 26 -4,-2.4 4,-1.7 2,-0.2 -2,-0.2 0.795 105.9 55.1 -64.7 -31.2 -2.0 16.9 -12.3 13 13 A A H X S+ 0 0 39 -4,-1.7 4,-1.4 2,-0.2 3,-0.3 0.957 108.0 47.7 -60.8 -52.8 -5.2 18.9 -13.2 14 14 A E H X S+ 0 0 124 -4,-1.1 4,-2.2 1,-0.2 -2,-0.2 0.751 109.3 55.8 -58.8 -29.8 -7.2 15.9 -11.7 15 15 A F H X S+ 0 0 29 -4,-1.5 4,-0.9 2,-0.2 -1,-0.2 0.850 104.8 49.6 -73.4 -38.4 -4.9 16.0 -8.6 16 16 A K H X S+ 0 0 115 -4,-1.7 4,-1.7 -3,-0.3 -2,-0.2 0.746 112.2 50.5 -70.1 -23.3 -5.7 19.7 -7.9 17 17 A E H X S+ 0 0 126 -4,-1.4 4,-1.7 2,-0.2 5,-0.3 0.936 111.5 46.2 -67.4 -52.7 -9.4 18.6 -8.2 18 18 A A H < S+ 0 0 31 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.618 114.9 49.6 -63.5 -19.2 -8.6 15.8 -5.7 19 19 A F H X S+ 0 0 16 -4,-0.9 4,-1.9 3,-0.1 -1,-0.2 0.852 107.0 52.9 -82.7 -44.4 -6.8 18.4 -3.5 20 20 A S H < S+ 0 0 75 -4,-1.7 -2,-0.2 1,-0.2 6,-0.2 0.899 113.5 39.8 -65.7 -46.4 -9.5 21.1 -3.5 21 21 A L T < S+ 0 0 141 -4,-1.7 -1,-0.2 1,-0.2 -3,-0.1 0.699 113.7 58.5 -75.7 -19.6 -12.5 18.8 -2.3 22 22 A F T 4 S+ 0 0 28 -5,-0.3 2,-1.2 -4,-0.2 -2,-0.2 0.863 91.8 74.3 -71.2 -39.7 -9.9 17.1 0.1 23 23 A D < + 0 0 9 -4,-1.9 3,-0.5 1,-0.2 -1,-0.1 -0.644 63.0 177.2 -84.2 91.8 -9.2 20.5 1.8 24 24 A K S S+ 0 0 119 -2,-1.2 -1,-0.2 1,-0.2 6,-0.0 0.911 75.7 49.5 -63.4 -51.6 -12.4 21.0 3.9 25 25 A D S S- 0 0 88 1,-0.1 -1,-0.2 0, 0.0 -2,-0.1 0.633 105.7-128.7 -66.0 -13.0 -11.5 24.3 5.7 26 26 A G + 0 0 63 -3,-0.5 -2,-0.1 -6,-0.2 -1,-0.1 0.920 69.4 126.4 59.9 50.9 -10.5 25.8 2.3 27 27 A D S S- 0 0 87 2,-0.2 3,-0.1 0, 0.0 -3,-0.0 0.572 77.6-114.0-100.6 -18.6 -7.0 27.2 3.2 28 28 A G S S+ 0 0 36 1,-0.1 40,-0.4 -8,-0.1 2,-0.3 0.656 88.7 84.4 90.1 22.2 -5.1 25.3 0.3 29 29 A T S S- 0 0 45 38,-0.1 2,-0.7 -10,-0.1 38,-0.2 -0.930 73.8-127.7-157.6 129.2 -3.0 22.9 2.7 30 30 A I B -A 66 0A 0 36,-1.4 36,-2.1 -2,-0.3 -7,-0.1 -0.669 25.0-164.6 -94.7 109.1 -4.1 19.5 4.2 31 31 A T > - 0 0 40 -2,-0.7 4,-2.4 34,-0.2 5,-0.2 -0.144 37.8 -95.9 -75.9 176.3 -3.6 19.1 8.1 32 32 A T H > S+ 0 0 16 32,-0.3 4,-2.5 2,-0.2 19,-0.1 0.874 126.5 46.1 -59.6 -43.9 -3.6 15.9 10.2 33 33 A K H > S+ 0 0 126 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.792 113.2 50.5 -70.6 -29.3 -7.4 16.3 11.1 34 34 A E H > S+ 0 0 0 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.878 112.5 45.5 -77.1 -44.4 -8.2 17.1 7.5 35 35 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.940 112.9 53.1 -51.9 -52.3 -6.3 13.9 6.3 36 36 A G H X S+ 0 0 12 -4,-2.5 4,-0.9 1,-0.2 -2,-0.2 0.778 108.1 49.9 -60.8 -33.3 -8.2 12.1 9.1 37 37 A T H X S+ 0 0 70 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.957 115.9 38.6 -68.6 -53.6 -11.6 13.3 7.9 38 38 A V H < S+ 0 0 42 -4,-1.7 4,-0.5 1,-0.2 3,-0.4 0.870 117.2 49.2 -73.0 -39.3 -11.3 12.3 4.2 39 39 A M H ><>S+ 0 0 27 -4,-2.5 5,-1.4 1,-0.2 3,-0.8 0.823 105.1 60.2 -67.2 -31.7 -9.4 9.0 4.8 40 40 A R H ><5S+ 0 0 184 -4,-0.9 3,-1.0 -5,-0.3 -1,-0.2 0.770 96.8 60.6 -67.5 -23.3 -12.1 8.0 7.5 41 41 A S T 3<5S+ 0 0 105 -4,-0.8 -1,-0.2 -3,-0.4 -2,-0.2 0.744 97.8 59.1 -73.4 -24.1 -14.7 8.3 4.6 42 42 A L T < 5S- 0 0 142 -3,-0.8 -1,-0.2 -4,-0.5 -2,-0.2 0.320 132.6 -90.0 -86.8 6.6 -12.8 5.4 2.8 43 43 A G T < 5S+ 0 0 63 -3,-1.0 2,-0.2 1,-0.3 -3,-0.2 0.606 89.5 125.8 93.1 14.5 -13.3 3.0 5.8 44 44 A Q < - 0 0 97 -5,-1.4 -1,-0.3 -8,-0.1 -2,-0.1 -0.677 44.7-161.9-100.9 155.2 -10.1 4.0 7.7 45 45 A N + 0 0 138 -2,-0.2 2,-0.2 -4,-0.0 -8,-0.1 -0.665 23.3 176.3-133.6 80.4 -9.7 5.3 11.4 46 46 A P - 0 0 31 0, 0.0 2,-0.2 0, 0.0 -6,-0.1 -0.555 22.2-131.8 -87.3 150.9 -6.2 7.0 11.7 47 47 A T >> - 0 0 79 -2,-0.2 4,-1.8 1,-0.1 3,-0.8 -0.660 30.6-105.0 -94.4 157.7 -4.7 8.8 14.8 48 48 A E H 3> S+ 0 0 77 1,-0.3 4,-1.7 -2,-0.2 5,-0.1 0.773 122.8 57.9 -50.2 -33.7 -3.0 12.3 14.8 49 49 A A H 3> S+ 0 0 60 2,-0.2 4,-1.5 3,-0.1 -1,-0.3 0.914 106.9 46.8 -62.0 -46.8 0.4 10.5 15.2 50 50 A E H <> S+ 0 0 94 -3,-0.8 4,-2.2 2,-0.2 3,-0.5 0.954 112.9 46.4 -62.2 -53.8 -0.3 8.5 11.9 51 51 A L H X S+ 0 0 1 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.827 108.7 58.7 -61.1 -35.3 -1.4 11.5 9.8 52 52 A Q H X S+ 0 0 75 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.899 108.1 44.7 -53.7 -43.9 1.7 13.4 11.2 53 53 A D H X S+ 0 0 94 -4,-1.5 4,-2.0 -3,-0.5 5,-0.2 0.892 106.9 58.5 -73.0 -36.9 4.0 10.7 9.7 54 54 A M H X S+ 0 0 23 -4,-2.2 4,-0.5 1,-0.2 -1,-0.2 0.780 114.5 40.1 -59.2 -29.3 2.0 10.7 6.4 55 55 A I H >X S+ 0 0 0 -4,-1.2 4,-2.0 -5,-0.2 3,-0.9 0.941 109.1 57.7 -77.6 -60.4 3.0 14.4 6.4 56 56 A N H 3< S+ 0 0 100 -4,-2.9 -2,-0.2 1,-0.3 -3,-0.2 0.729 106.8 50.5 -47.4 -34.9 6.7 14.0 7.7 57 57 A E H 3< S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.1 0.905 122.3 30.4 -68.3 -46.0 7.6 11.6 4.8 58 58 A V H << S+ 0 0 9 -3,-0.9 2,-1.7 -4,-0.5 -2,-0.2 0.524 93.3 103.4 -92.9 -8.6 6.3 14.0 2.1 59 59 A D >< + 0 0 18 -4,-2.0 3,-0.6 1,-0.2 -1,-0.1 -0.531 33.9 161.1 -85.0 77.9 7.0 17.3 4.0 60 60 A A T 3 S+ 0 0 108 -2,-1.7 -1,-0.2 1,-0.2 -4,-0.0 0.700 79.2 51.8 -67.5 -20.7 10.2 18.5 2.1 61 61 A D T 3 S- 0 0 95 -3,-0.2 -1,-0.2 0, 0.0 -2,-0.1 0.600 102.7-137.8 -90.9 -17.1 9.5 22.0 3.5 62 62 A G < + 0 0 64 -3,-0.6 -2,-0.1 -7,-0.1 -6,-0.1 0.858 60.6 128.2 62.4 44.2 9.2 20.7 7.1 63 63 A N S S- 0 0 97 2,-0.3 3,-0.1 0, 0.0 -1,-0.1 0.608 76.5-111.0-102.6 -15.7 6.2 22.8 8.3 64 64 A G S S+ 0 0 26 1,-0.3 2,-0.3 -12,-0.1 -32,-0.3 0.584 88.0 79.7 95.1 12.8 3.9 19.9 9.7 65 65 A T S S- 0 0 29 -10,-0.1 2,-0.3 -34,-0.1 -2,-0.3 -0.985 78.5-103.6-150.1 157.3 1.2 20.2 6.9 66 66 A I B -A 30 0A 0 -36,-2.1 -36,-1.4 -2,-0.3 2,-0.2 -0.644 28.3-173.9 -91.5 132.9 0.6 19.1 3.2 67 67 A D > - 0 0 71 -2,-0.3 4,-1.9 -38,-0.2 3,-0.3 -0.697 47.1 -89.0-109.4 166.5 0.9 21.4 0.2 68 68 A F H > S+ 0 0 56 -40,-0.4 4,-1.9 -2,-0.2 5,-0.2 0.871 128.3 48.0 -44.3 -51.3 0.0 20.4 -3.5 69 69 A P H > S+ 0 0 78 0, 0.0 4,-0.7 0, 0.0 -1,-0.2 0.896 113.6 49.2 -58.2 -38.6 3.7 19.1 -4.4 70 70 A E H > S+ 0 0 7 -3,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.820 108.9 53.8 -65.7 -34.1 3.5 17.0 -1.1 71 71 A F H X>S+ 0 0 2 -4,-1.9 4,-2.4 2,-0.2 5,-0.5 0.873 100.7 57.0 -70.8 -42.4 0.1 15.7 -2.1 72 72 A L H <5S+ 0 0 7 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.750 116.8 39.2 -59.4 -25.1 1.3 14.4 -5.5 73 73 A T H X5S+ 0 0 23 -4,-0.7 4,-1.0 -5,-0.2 -2,-0.2 0.843 120.0 45.4 -85.5 -42.9 3.8 12.4 -3.4 74 74 A M H >X5S+ 0 0 3 -4,-2.3 4,-0.6 2,-0.2 3,-0.6 0.959 113.5 42.2 -72.5 -55.9 1.3 11.5 -0.5 75 75 A M H 3X5S+ 0 0 42 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.739 108.7 61.5 -71.0 -26.2 -1.9 10.3 -2.3 76 76 A A H 34 S- 0 0 83 -4,-0.3 3,-0.8 -5,-0.1 2,-0.4 -0.842 82.7-155.6 -89.3 92.2 -2.7 1.4 -2.9 81 81 A D T 3 S+ 0 0 126 -2,-0.9 4,-0.1 1,-0.3 -2,-0.1 -0.648 86.5 4.3 -66.5 122.5 -5.2 0.7 -0.1 82 82 A T T > S- 0 0 103 -2,-0.4 3,-2.0 1,-0.1 -1,-0.3 0.987 82.0-169.1 50.6 66.0 -3.3 -2.0 2.0 83 83 A D T X> S+ 0 0 94 -3,-0.8 3,-2.1 1,-0.3 4,-0.5 0.649 71.8 88.3 -58.6 -18.1 -0.2 -1.6 -0.3 84 84 A S H 3> + 0 0 61 1,-0.3 4,-1.9 2,-0.2 -1,-0.3 0.589 67.0 81.6 -52.8 -18.5 1.2 -4.8 1.5 85 85 A E H <> S+ 0 0 52 -3,-2.0 4,-1.5 2,-0.2 -1,-0.3 0.875 90.0 51.1 -51.6 -40.8 -0.8 -6.7 -1.3 86 86 A E H <> S+ 0 0 80 -3,-2.1 4,-1.5 2,-0.2 -1,-0.2 0.800 106.0 54.7 -66.4 -33.7 2.3 -5.9 -3.4 87 87 A E H X S+ 0 0 120 -4,-0.5 4,-1.5 2,-0.2 -2,-0.2 0.860 110.5 44.6 -67.3 -39.1 4.5 -7.5 -0.7 88 88 A L H X S+ 0 0 51 -4,-1.9 4,-1.5 2,-0.2 -2,-0.2 0.725 108.4 57.0 -76.4 -26.4 2.3 -10.7 -0.8 89 89 A R H X S+ 0 0 98 -4,-1.5 4,-0.8 2,-0.2 -2,-0.2 0.834 108.4 47.7 -65.3 -35.9 2.6 -10.5 -4.7 90 90 A E H X S+ 0 0 128 -4,-1.5 4,-1.9 2,-0.2 3,-0.4 0.871 109.4 52.6 -66.2 -39.6 6.4 -10.6 -4.0 91 91 A A H X S+ 0 0 18 -4,-1.5 4,-2.0 1,-0.2 -2,-0.2 0.824 102.0 59.9 -65.9 -32.2 5.7 -13.5 -1.6 92 92 A F H X S+ 0 0 30 -4,-1.5 4,-1.5 2,-0.2 -1,-0.2 0.803 106.6 47.5 -63.0 -32.4 3.8 -15.3 -4.5 93 93 A R H < S+ 0 0 202 -4,-0.8 6,-0.3 -3,-0.4 -2,-0.2 0.918 110.6 48.9 -74.9 -50.9 7.2 -15.1 -6.5 94 94 A V H < S+ 0 0 68 -4,-1.9 3,-0.2 1,-0.2 -2,-0.2 0.830 115.3 46.9 -56.1 -34.1 9.3 -16.5 -3.6 95 95 A E H < S+ 0 0 12 -4,-2.0 2,-1.1 1,-0.2 -2,-0.2 0.843 108.6 57.9 -75.3 -35.2 6.6 -19.3 -3.3 96 96 A D >< + 0 0 5 -4,-1.5 3,-0.7 1,-0.2 -1,-0.2 -0.704 63.5 163.4 -98.6 78.9 6.7 -19.9 -7.1 97 97 A K T 3 S+ 0 0 80 -2,-1.1 -1,-0.2 1,-0.2 -2,-0.1 0.878 77.3 54.1 -62.6 -44.9 10.4 -20.7 -7.6 98 98 A D T 3 S- 0 0 90 -3,-0.2 -1,-0.2 1,-0.0 -2,-0.1 0.571 105.8-140.2 -66.7 -10.8 9.8 -22.2 -11.1 99 99 A G < + 0 0 60 -3,-0.7 -2,-0.1 -6,-0.3 -6,-0.1 0.864 59.0 129.9 55.1 52.0 8.1 -18.8 -11.8 100 100 A N S S- 0 0 72 2,-0.3 -1,-0.1 0, 0.0 3,-0.1 0.442 78.8-101.8-113.3 -6.6 5.0 -20.0 -13.9 101 101 A G S S+ 0 0 31 -9,-0.1 40,-0.4 1,-0.1 2,-0.3 0.553 93.0 78.3 95.9 10.4 2.2 -18.1 -12.0 102 102 A Y - 0 0 79 38,-0.1 2,-0.3 39,-0.1 -2,-0.3 -0.976 68.0-132.0-148.4 143.7 0.8 -21.0 -9.8 103 103 A I B -B 139 0B 1 36,-1.9 36,-1.4 -2,-0.3 2,-0.2 -0.679 21.8-174.6 -96.4 140.6 1.9 -22.8 -6.6 104 104 A S > - 0 0 45 -2,-0.3 4,-1.8 34,-0.2 5,-0.2 -0.716 42.5 -96.2-122.7 172.0 2.1 -26.6 -6.1 105 105 A A H > S+ 0 0 11 32,-0.3 4,-1.6 -2,-0.2 3,-0.3 0.936 126.1 47.5 -54.9 -47.9 2.9 -28.9 -3.1 106 106 A A H > S+ 0 0 61 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.755 108.6 57.1 -69.1 -24.5 6.6 -29.2 -4.1 107 107 A E H > S+ 0 0 16 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.849 104.8 49.7 -72.2 -39.7 6.8 -25.4 -4.6 108 108 A L H X S+ 0 0 6 -4,-1.8 4,-2.2 -3,-0.3 -2,-0.2 0.845 108.5 55.9 -66.3 -33.3 5.6 -24.8 -0.9 109 109 A R H X S+ 0 0 116 -4,-1.6 4,-1.2 1,-0.2 -2,-0.2 0.970 108.3 45.1 -59.7 -52.7 8.4 -27.3 0.2 110 110 A I H < S+ 0 0 83 -4,-1.7 4,-0.4 1,-0.2 -1,-0.2 0.684 117.4 44.3 -72.6 -23.0 11.2 -25.4 -1.5 111 111 A V H >X S+ 0 0 0 -4,-1.2 4,-2.1 -16,-0.2 3,-0.7 0.860 107.7 57.2 -83.3 -41.2 10.0 -21.9 -0.2 112 112 A M H 3X>S+ 0 0 4 -4,-2.2 5,-2.0 1,-0.2 4,-0.7 0.749 100.0 60.8 -63.2 -24.9 9.3 -23.1 3.4 113 113 A T H 3<5S+ 0 0 85 -4,-1.2 -1,-0.2 4,-0.2 5,-0.2 0.872 109.7 40.7 -65.4 -39.1 13.0 -24.2 3.6 114 114 A N H <45S+ 0 0 113 -3,-0.7 -2,-0.2 -4,-0.4 -1,-0.2 0.813 113.4 53.7 -79.6 -33.9 14.1 -20.5 3.0 115 115 A R H <5S- 0 0 89 -4,-2.1 -1,-0.2 1,-0.0 -2,-0.2 0.647 110.2-123.1 -69.8 -17.7 11.3 -19.2 5.4 116 116 A G T <5S+ 0 0 66 -4,-0.7 -3,-0.2 -5,-0.2 -4,-0.1 0.663 87.4 109.6 74.3 19.0 12.6 -21.5 8.1 117 117 A E < - 0 0 114 -5,-2.0 -4,-0.2 -6,-0.2 -5,-0.1 -0.333 52.9-174.3-117.5 45.0 9.0 -22.9 8.2 118 118 A K - 0 0 184 -6,-0.3 2,-0.3 -5,-0.2 -9,-0.1 -0.197 4.3-169.7 -55.1 116.3 9.8 -26.4 6.7 119 119 A L - 0 0 61 -11,-0.2 -7,-0.1 -10,-0.2 -6,-0.1 -0.862 24.7-103.2-110.1 147.0 6.6 -28.4 6.1 120 120 A T > - 0 0 97 -2,-0.3 4,-2.4 1,-0.1 5,-0.3 -0.194 35.7-105.1 -63.3 155.8 6.1 -32.1 5.2 121 121 A D H > S+ 0 0 84 1,-0.2 4,-0.5 2,-0.2 -1,-0.1 0.759 127.8 45.9 -53.5 -28.8 5.2 -33.1 1.5 122 122 A E H >> S+ 0 0 124 2,-0.1 4,-1.6 3,-0.1 3,-0.7 0.935 109.4 52.6 -71.0 -55.4 1.7 -33.8 3.0 123 123 A E H 3> S+ 0 0 90 1,-0.3 4,-1.3 2,-0.2 -2,-0.2 0.802 108.7 50.1 -56.2 -36.1 1.5 -30.5 5.0 124 124 A V H 3X S+ 0 0 0 -4,-2.4 4,-1.2 2,-0.2 -1,-0.3 0.838 107.5 53.7 -71.5 -32.3 2.3 -28.3 2.0 125 125 A D H > - 0 0 52 -2,-0.5 4,-3.2 -38,-0.2 3,-0.9 -0.570 53.5 -85.0-102.8 169.6 -2.8 -18.7 -8.8 141 141 A Y H 3> S+ 0 0 104 -40,-0.4 4,-1.7 1,-0.2 5,-0.1 0.774 126.1 54.5 -45.8 -38.7 -3.4 -15.0 -7.7 142 142 A E H 34 S+ 0 0 152 2,-0.2 -1,-0.2 1,-0.2 4,-0.2 0.884 121.3 26.4 -66.2 -47.7 -7.2 -15.5 -7.7 143 143 A E H X4 S+ 0 0 22 -3,-0.9 3,-1.2 2,-0.1 4,-0.4 0.829 118.8 59.9 -84.6 -37.4 -7.3 -18.5 -5.3 144 144 A F H >X S+ 0 0 12 -4,-3.2 3,-1.1 1,-0.2 4,-1.0 0.871 93.7 65.5 -52.4 -47.0 -4.0 -17.6 -3.5 145 145 A V H 3X S+ 0 0 55 -4,-1.7 4,-1.9 -5,-0.3 -1,-0.2 0.712 87.2 72.6 -55.3 -23.1 -5.4 -14.3 -2.3 146 146 A Q H <> S+ 0 0 78 -3,-1.2 4,-2.0 -15,-0.3 -1,-0.2 0.907 99.2 43.5 -58.9 -46.5 -8.0 -16.2 -0.1 147 147 A R H <> S+ 0 0 95 -3,-1.1 4,-2.5 -4,-0.4 -1,-0.2 0.830 113.5 52.2 -70.7 -33.6 -5.3 -17.3 2.5 148 148 A M H < S+ 0 0 42 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.807 112.3 45.4 -71.4 -33.1 -3.8 -13.8 2.4 149 149 A T H < S+ 0 0 102 -4,-1.9 -2,-0.2 1,-0.1 -1,-0.2 0.830 115.1 48.5 -74.6 -35.6 -7.3 -12.3 3.1 150 150 A A H < 0 0 84 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.922 360.0 360.0 -69.4 -51.0 -8.0 -15.0 5.9 151 151 A K < 0 0 210 -4,-2.5 -3,-0.1 -5,-0.1 -1,-0.1 0.454 360.0 360.0 69.7 360.0 -4.6 -14.4 7.7