==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 22-NOV-11 2LM5 . COMPND 2 MOLECULE: CALCIUM AND INTEGRIN-BINDING PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR H.HUANG,H.J.VOGEL . 184 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12033.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 118 64.1 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 2.2 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 . 1 0.5 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 . 3 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 88 47.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 2 1 1 0 1 0 2 0 2 2 1 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 8 A L 0 0 115 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 99.7 -12.5 16.1 -5.2 2 9 A S > - 0 0 69 1,-0.1 4,-1.1 0, 0.0 100,-0.0 -0.367 360.0 -97.6 -94.2 176.4 -12.8 16.0 -1.4 3 10 A K H > S+ 0 0 88 1,-0.2 4,-1.2 2,-0.2 -1,-0.1 0.539 116.3 70.9 -71.5 -4.6 -14.2 13.2 0.8 4 11 A E H >> S+ 0 0 145 2,-0.2 4,-1.5 1,-0.1 3,-0.9 0.989 95.7 42.8 -74.3 -68.2 -17.4 15.2 0.9 5 12 A L H 3> S+ 0 0 70 1,-0.3 4,-1.5 2,-0.2 3,-0.3 0.857 113.5 57.0 -46.3 -38.9 -18.7 14.8 -2.7 6 13 A L H 3X S+ 0 0 17 -4,-1.1 4,-2.0 1,-0.2 3,-0.4 0.916 101.7 53.9 -60.6 -43.7 -17.7 11.2 -2.4 7 14 A A H S+ 0 0 115 -4,-1.5 4,-1.2 -3,-0.4 5,-1.0 0.848 107.5 57.6 -72.2 -34.4 -22.4 9.4 -3.9 10 17 A Q H <5S+ 0 0 25 -4,-2.0 -1,-0.2 3,-0.2 -2,-0.2 0.793 93.7 77.1 -66.0 -27.4 -22.2 6.8 -1.2 11 18 A D H <5S- 0 0 94 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.1 0.905 125.9 -38.7 -45.6 -98.5 -25.5 7.9 0.0 12 19 A L H <5S+ 0 0 148 -4,-0.5 -1,-0.2 1,-0.1 -2,-0.1 -0.303 123.0 79.7-131.8 49.2 -28.1 6.4 -2.4 13 20 A T T <5S+ 0 0 77 -4,-1.2 -3,-0.2 -5,-0.1 -4,-0.1 0.530 89.1 50.6-125.5 -22.7 -26.5 6.8 -5.8 14 21 A F S S+ 0 0 180 3,-0.1 4,-2.3 2,-0.0 5,-0.2 0.656 104.0 43.8-122.4 -45.6 -31.5 -2.5 -7.8 18 25 A Q H > S+ 0 0 158 2,-0.2 4,-2.7 1,-0.2 5,-0.3 0.910 117.0 46.9 -70.6 -43.1 -30.2 -5.6 -9.7 19 26 A E H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.871 115.5 46.6 -66.4 -37.3 -26.8 -5.6 -7.9 20 27 A I H > S+ 0 0 31 2,-0.2 4,-2.4 3,-0.2 -2,-0.2 0.901 113.9 47.3 -71.5 -42.0 -28.5 -5.1 -4.5 21 28 A L H X S+ 0 0 125 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.933 118.8 40.0 -65.1 -46.3 -31.1 -7.8 -5.2 22 29 A L H X S+ 0 0 76 -4,-2.7 4,-1.6 2,-0.2 -2,-0.2 0.925 117.0 48.9 -68.8 -45.4 -28.5 -10.3 -6.4 23 30 A A H X S+ 0 0 5 -4,-2.5 4,-2.7 -5,-0.3 5,-0.2 0.876 106.6 57.7 -62.2 -37.7 -25.9 -9.3 -3.8 24 31 A H H X S+ 0 0 25 -4,-2.4 4,-1.1 1,-0.2 -1,-0.2 0.899 104.7 51.0 -59.9 -41.4 -28.6 -9.7 -1.1 25 32 A R H X S+ 0 0 137 -4,-1.4 4,-1.5 2,-0.2 -1,-0.2 0.891 111.2 48.3 -63.6 -39.6 -29.2 -13.3 -2.1 26 33 A R H X S+ 0 0 146 -4,-1.6 4,-1.0 1,-0.2 -2,-0.2 0.915 114.8 43.6 -67.1 -44.1 -25.5 -14.0 -1.9 27 34 A F H X S+ 0 0 20 -4,-2.7 4,-0.6 1,-0.2 -1,-0.2 0.628 107.7 64.0 -76.4 -12.6 -25.1 -12.4 1.5 28 35 A C H >< S+ 0 0 10 -4,-1.1 3,-0.6 -5,-0.2 -1,-0.2 0.902 96.6 53.7 -76.6 -42.6 -28.3 -14.1 2.6 29 36 A E H 3< S+ 0 0 129 -4,-1.5 4,-0.2 1,-0.3 -2,-0.2 0.888 107.1 52.2 -58.8 -40.1 -26.9 -17.6 2.3 30 37 A L H 3< S+ 0 0 78 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.764 110.2 60.1 -67.6 -24.8 -24.0 -16.6 4.5 31 38 A L S << S- 0 0 41 -4,-0.6 15,-0.0 -3,-0.6 5,-0.0 -0.737 114.0 -66.6-104.5 154.3 -26.5 -15.4 7.1 32 39 A P > - 0 0 73 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 -0.058 39.8-142.9 -38.2 119.0 -29.3 -17.4 8.8 33 40 A Q G > S+ 0 0 107 1,-0.3 3,-1.1 -4,-0.2 -4,-0.1 0.763 100.6 65.8 -59.9 -23.8 -31.8 -18.4 6.1 34 41 A E G 3 S+ 0 0 186 1,-0.3 3,-0.4 2,-0.1 -1,-0.3 0.794 95.4 56.6 -68.5 -27.8 -34.5 -17.8 8.7 35 42 A Q G < + 0 0 122 -3,-1.7 -1,-0.3 1,-0.2 -2,-0.1 -0.104 66.1 124.2 -95.0 35.5 -33.6 -14.1 8.7 36 43 A R < + 0 0 148 -3,-1.1 -1,-0.2 4,-0.1 -2,-0.1 0.606 36.1 127.0 -69.8 -9.6 -34.2 -13.8 5.0 37 44 A S >> - 0 0 54 -3,-0.4 4,-2.0 1,-0.2 3,-0.8 -0.264 54.9-151.8 -52.4 124.9 -36.6 -11.0 5.9 38 45 A V H 3> S+ 0 0 94 1,-0.2 4,-3.0 2,-0.2 5,-0.5 0.901 94.9 62.3 -67.0 -41.6 -35.7 -7.9 3.9 39 46 A E H 34 S+ 0 0 145 1,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.700 112.5 40.1 -57.5 -17.3 -37.1 -5.6 6.5 40 47 A S H <> S+ 0 0 51 -3,-0.8 4,-1.3 3,-0.1 -1,-0.2 0.767 112.3 52.9 -99.9 -35.7 -34.4 -7.1 8.7 41 48 A S H < S+ 0 0 24 -4,-2.0 -2,-0.2 2,-0.2 -3,-0.2 0.920 117.5 37.6 -66.7 -44.5 -31.6 -7.3 6.2 42 49 A L T < S+ 0 0 137 -4,-3.0 -1,-0.2 1,-0.2 -3,-0.2 0.739 121.7 46.3 -78.4 -23.6 -31.9 -3.6 5.3 43 50 A R T 4 S+ 0 0 210 -5,-0.5 2,-0.3 -4,-0.1 -2,-0.2 0.581 112.9 58.7 -92.7 -12.2 -32.6 -2.7 8.9 44 51 A A S < S- 0 0 54 -4,-1.3 2,-0.1 1,-0.0 -4,-0.0 -0.870 77.9-131.5-118.7 151.7 -29.8 -4.9 10.2 45 52 A Q - 0 0 93 -2,-0.3 35,-0.2 35,-0.1 -2,-0.1 -0.316 25.5-105.6 -91.5 178.3 -26.0 -4.7 9.5 46 53 A V B -A 79 0A 6 33,-1.4 33,-1.7 -2,-0.1 5,-0.1 -0.925 36.7-107.6-110.9 127.8 -23.7 -7.6 8.5 47 54 A P > - 0 0 58 0, 0.0 4,-0.8 0, 0.0 31,-0.1 0.042 26.2-118.9 -44.6 157.6 -21.1 -9.0 11.1 48 55 A F H >> S+ 0 0 95 29,-0.3 4,-1.4 2,-0.2 3,-1.3 0.967 112.7 48.6 -66.5 -55.2 -17.4 -8.2 10.5 49 56 A E H 3> S+ 0 0 143 1,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.892 100.8 66.8 -52.4 -43.1 -16.3 -11.8 10.1 50 57 A Q H >4 S+ 0 0 43 1,-0.3 3,-0.8 2,-0.2 -1,-0.3 0.857 102.6 47.5 -46.8 -39.5 -19.1 -12.3 7.6 51 58 A I H X< S+ 0 0 7 -3,-1.3 3,-1.2 -4,-0.8 -1,-0.3 0.903 96.4 69.0 -70.3 -41.8 -17.3 -9.9 5.3 52 59 A L H 3< S+ 0 0 73 -4,-1.4 -1,-0.2 1,-0.3 -2,-0.2 0.640 74.2 92.4 -52.5 -10.7 -13.9 -11.6 5.8 53 60 A S T << S+ 0 0 53 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.1 0.385 75.8 69.8 -66.9 8.6 -15.6 -14.4 3.8 54 61 A L X> - 0 0 35 -3,-1.2 3,-0.9 1,-0.1 4,-0.8 -0.686 60.9-176.5-129.0 78.2 -14.0 -12.6 0.8 55 62 A P H 3> S+ 0 0 92 0, 0.0 4,-1.5 0, 0.0 -1,-0.1 0.581 71.6 87.4 -50.6 -7.1 -10.2 -13.1 0.9 56 63 A E H >4 S+ 0 0 116 1,-0.2 3,-0.8 2,-0.2 4,-0.1 0.989 95.9 29.6 -58.5 -66.2 -10.3 -10.8 -2.1 57 64 A L H X4 S+ 0 0 9 -3,-0.9 3,-1.1 1,-0.2 -1,-0.2 0.624 110.8 74.3 -70.8 -11.5 -10.1 -7.4 -0.3 58 65 A K H 3< S+ 0 0 104 -4,-0.8 5,-0.3 1,-0.3 -1,-0.2 0.894 75.8 73.7 -68.0 -39.5 -8.2 -9.2 2.4 59 66 A A T << S+ 0 0 82 -4,-1.5 -1,-0.3 -3,-0.8 -2,-0.2 0.650 76.6 103.0 -48.9 -12.3 -5.1 -9.3 0.2 60 67 A N S X S- 0 0 13 -3,-1.1 3,-1.9 1,-0.2 4,-0.2 -0.656 75.0-143.0 -78.2 114.7 -5.0 -5.6 1.1 61 68 A P T 3 S+ 0 0 43 0, 0.0 -1,-0.2 0, 0.0 3,-0.1 0.633 104.4 37.6 -51.1 -11.6 -2.3 -5.0 3.8 62 69 A F T 3> + 0 0 25 1,-0.1 4,-2.7 2,-0.1 3,-0.5 -0.248 67.5 141.0-136.5 46.6 -4.8 -2.5 5.2 63 70 A K H <> S+ 0 0 41 -3,-1.9 4,-1.5 -5,-0.3 5,-0.2 0.737 77.0 57.4 -61.3 -21.2 -8.2 -4.1 4.6 64 71 A E H > S+ 0 0 119 -4,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.864 110.1 40.6 -77.5 -37.7 -9.1 -2.6 8.0 65 72 A R H > S+ 0 0 79 -3,-0.5 4,-2.7 2,-0.2 5,-0.3 0.853 114.2 52.9 -78.3 -36.9 -8.3 1.0 7.0 66 73 A I H X S+ 0 0 4 -4,-2.7 4,-2.1 2,-0.2 5,-0.2 0.917 116.5 38.6 -64.7 -43.9 -9.9 0.6 3.5 67 74 A C H X S+ 0 0 17 -4,-1.5 4,-3.7 -5,-0.2 -2,-0.2 0.915 118.6 47.6 -73.1 -44.4 -13.2 -0.7 4.9 68 75 A R H < S+ 0 0 131 -4,-1.9 -2,-0.2 2,-0.2 -3,-0.2 0.907 118.4 41.3 -63.2 -42.6 -13.2 1.7 7.9 69 76 A V H < S+ 0 0 50 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.884 123.6 38.3 -72.4 -40.4 -12.4 4.7 5.7 70 77 A F H < S+ 0 0 7 -4,-2.1 -2,-0.2 -5,-0.3 -3,-0.2 0.835 115.3 61.4 -79.4 -34.5 -14.7 3.6 2.9 71 78 A S S < S- 0 0 10 -4,-3.7 2,-0.4 -5,-0.2 8,-0.1 -0.392 73.5-143.8 -88.3 169.0 -17.4 2.3 5.3 72 79 A T + 0 0 91 -2,-0.1 8,-0.1 8,-0.0 11,-0.1 -0.996 29.4 143.8-138.9 131.6 -19.3 4.3 7.9 73 80 A S - 0 0 30 -2,-0.4 6,-0.0 1,-0.2 -2,-0.0 -0.986 48.7-118.4-160.1 159.5 -20.6 3.3 11.3 74 81 A P S S+ 0 0 121 0, 0.0 -1,-0.2 0, 0.0 0, 0.0 0.995 113.9 8.3 -65.4 -66.1 -21.1 4.7 14.9 75 82 A A S S- 0 0 70 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.339 98.5-124.0 -98.7 4.1 -18.7 2.4 16.9 76 83 A K S S+ 0 0 108 1,-0.1 3,-0.0 2,-0.1 -8,-0.0 0.852 78.7 122.1 55.3 35.5 -17.3 0.9 13.7 77 84 A D + 0 0 110 -29,-0.0 -29,-0.3 -30,-0.0 2,-0.3 0.430 65.3 49.8-104.2 -3.9 -18.3 -2.5 15.1 78 85 A S - 0 0 11 -31,-0.1 2,-0.4 -30,-0.1 -2,-0.1 -0.946 65.2-153.6-135.2 155.6 -20.5 -3.4 12.1 79 86 A L B -A 46 0A 14 -33,-1.7 -33,-1.4 -2,-0.3 2,-0.3 -0.996 12.1-138.5-134.2 134.0 -20.1 -3.4 8.3 80 87 A S > - 0 0 32 -2,-0.4 4,-1.9 -35,-0.2 5,-0.2 -0.714 10.3-141.5 -91.9 139.3 -22.7 -3.1 5.6 81 88 A F H > S+ 0 0 11 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.673 98.1 67.6 -70.5 -16.3 -22.6 -5.2 2.5 82 89 A E H > S+ 0 0 18 2,-0.2 4,-2.5 3,-0.2 -1,-0.2 0.990 108.3 30.9 -66.8 -62.3 -23.7 -2.2 0.5 83 90 A D H > S+ 0 0 16 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.913 121.6 52.9 -63.3 -43.7 -20.7 -0.0 1.0 84 91 A F H X S+ 0 0 20 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.950 113.8 41.5 -57.2 -51.9 -18.4 -3.0 1.1 85 92 A L H X S+ 0 0 28 -4,-2.2 4,-2.6 1,-0.2 5,-0.3 0.878 111.7 57.1 -63.9 -38.0 -19.7 -4.5 -2.2 86 93 A D H X S+ 0 0 5 -4,-2.5 4,-2.7 -5,-0.2 5,-0.3 0.888 103.6 53.5 -60.6 -39.6 -19.8 -1.0 -3.7 87 94 A L H X S+ 0 0 8 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.902 111.5 45.7 -62.5 -41.5 -16.1 -0.6 -3.0 88 95 A L H X S+ 0 0 51 -4,-1.5 4,-0.6 2,-0.2 -2,-0.2 0.985 116.5 41.7 -65.4 -59.9 -15.3 -3.9 -4.8 89 96 A S H >X>S+ 0 0 42 -4,-2.6 4,-1.5 1,-0.2 3,-0.8 0.904 117.5 49.3 -54.6 -44.3 -17.5 -3.3 -7.9 90 97 A V H 3<>S+ 0 0 11 -4,-2.7 5,-0.9 -5,-0.3 -1,-0.2 0.925 114.9 43.0 -62.1 -45.7 -16.3 0.3 -8.0 91 98 A F H 3<5S+ 0 0 42 -4,-2.4 -1,-0.3 -5,-0.3 -2,-0.2 0.452 105.6 70.8 -79.7 0.2 -12.7 -0.7 -7.7 92 99 A S H <<5S- 0 0 71 -3,-0.8 -2,-0.2 -4,-0.6 -1,-0.2 0.940 130.9 -33.1 -80.4 -52.8 -13.4 -3.5 -10.2 93 100 A D T <5S+ 0 0 136 -4,-1.5 -3,-0.1 -3,-0.1 -2,-0.1 0.541 127.3 73.4-135.6 -49.5 -13.9 -1.4 -13.4 94 101 A T T < + 0 0 78 -5,-0.7 2,-1.8 1,-0.1 5,-0.2 0.697 66.4 121.6 -46.5 -17.4 -15.4 1.9 -12.5 95 102 A A < - 0 0 23 -5,-0.9 -1,-0.1 -6,-0.3 -4,-0.1 -0.248 48.2-176.1 -52.2 83.1 -11.9 2.6 -11.2 96 103 A T > - 0 0 64 -2,-1.8 4,-3.7 1,-0.1 5,-0.2 -0.574 41.0-104.6 -86.3 150.5 -11.3 5.6 -13.5 97 104 A P H > S+ 0 0 94 0, 0.0 4,-1.9 0, 0.0 5,-0.2 0.834 122.1 47.8 -37.9 -44.6 -8.0 7.5 -13.5 98 105 A D H > S+ 0 0 115 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.996 117.8 36.1 -63.8 -66.0 -9.6 10.3 -11.5 99 106 A I H > S+ 0 0 48 1,-0.2 4,-2.4 -5,-0.2 5,-0.2 0.762 111.4 68.3 -59.7 -23.8 -11.3 8.2 -8.8 100 107 A K H X S+ 0 0 55 -4,-3.7 4,-2.6 2,-0.2 -1,-0.2 0.976 105.4 36.3 -60.0 -57.9 -8.2 6.0 -9.0 101 108 A S H X S+ 0 0 12 -4,-1.9 4,-2.0 -3,-0.3 5,-0.5 0.981 115.6 53.6 -59.5 -59.8 -5.8 8.5 -7.5 102 109 A H H X S+ 0 0 8 -4,-1.8 4,-1.5 1,-0.3 -1,-0.2 0.892 113.5 44.1 -40.5 -52.8 -8.3 10.0 -5.1 103 110 A Y H X S+ 0 0 11 -4,-2.4 4,-2.4 -5,-0.2 -1,-0.3 0.922 116.8 47.7 -60.9 -45.5 -9.0 6.5 -3.7 104 111 A A H >X S+ 0 0 10 -4,-2.6 4,-4.0 -5,-0.2 3,-1.0 0.994 107.3 51.1 -58.5 -73.2 -5.3 5.7 -3.7 105 112 A F H 3X S+ 0 0 16 -4,-2.0 4,-1.5 1,-0.3 -1,-0.2 0.787 114.3 49.5 -33.6 -38.2 -4.0 8.9 -2.0 106 113 A R H 3< S+ 0 0 29 -4,-1.5 -1,-0.3 -5,-0.5 -2,-0.2 0.929 117.9 36.5 -70.8 -46.7 -6.6 8.1 0.6 107 114 A I H << S+ 0 0 25 -4,-2.4 -2,-0.2 -3,-1.0 -3,-0.2 0.837 112.2 60.8 -74.5 -34.1 -5.6 4.5 1.1 108 115 A F H < S+ 0 0 27 -4,-4.0 2,-1.5 -5,-0.2 -1,-0.2 0.905 85.8 82.0 -59.7 -43.0 -1.9 5.2 0.6 109 116 A D >< - 0 0 1 -4,-1.5 3,-2.0 -5,-0.4 -1,-0.1 -0.486 62.2-173.4 -68.5 92.6 -2.0 7.5 3.7 110 117 A F T 3 S+ 0 0 44 -2,-1.5 -1,-0.2 1,-0.3 6,-0.1 0.884 86.6 54.6 -54.1 -40.8 -1.7 4.9 6.4 111 118 A D T 3 S- 0 0 76 4,-0.2 -1,-0.3 -3,-0.1 -2,-0.1 0.635 99.8-143.0 -68.7 -12.5 -2.2 7.6 9.0 112 119 A D S < S+ 0 0 59 -3,-2.0 -2,-0.1 -6,-0.2 -1,-0.1 0.750 70.4 114.7 55.1 23.4 -5.4 8.4 7.1 113 120 A D S S- 0 0 100 2,-0.3 -1,-0.1 -7,-0.0 3,-0.1 0.893 87.2-106.5 -87.3 -47.1 -4.6 12.1 7.9 114 121 A G S S+ 0 0 31 1,-0.7 2,-0.1 -9,-0.1 -5,-0.1 -0.158 88.6 81.3 148.6 -44.2 -4.0 13.3 4.4 115 122 A T - 0 0 65 47,-0.1 -1,-0.7 -6,-0.0 2,-0.4 -0.419 70.0-129.0 -86.5 165.6 -0.2 13.8 4.0 116 123 A L B -B 161 0B 1 45,-1.2 45,-1.6 -2,-0.1 2,-0.2 -0.964 20.7-165.9-120.5 131.3 2.3 11.0 3.2 117 124 A N > - 0 0 38 -2,-0.4 4,-1.6 43,-0.2 5,-0.2 -0.545 41.9 -94.9-106.9 174.1 5.5 10.4 5.2 118 125 A R H > S+ 0 0 117 41,-0.3 4,-1.4 1,-0.2 5,-0.1 0.817 125.6 54.5 -57.7 -30.4 8.6 8.3 4.5 119 126 A E H > S+ 0 0 104 2,-0.2 4,-1.3 1,-0.2 3,-0.4 0.964 100.4 55.9 -68.6 -53.4 6.9 5.5 6.5 120 127 A D H >> S+ 0 0 4 1,-0.3 4,-1.8 2,-0.2 3,-0.6 0.883 111.3 46.0 -45.8 -44.6 3.7 5.4 4.5 121 128 A L H 3X S+ 0 0 24 -4,-1.6 4,-1.9 1,-0.2 5,-0.3 0.860 109.9 53.1 -68.3 -35.9 5.8 4.9 1.3 122 129 A S H 3X S+ 0 0 15 -4,-1.4 4,-0.6 -3,-0.4 -1,-0.2 0.595 108.7 53.8 -75.2 -9.1 7.9 2.2 3.1 123 130 A R H S- 0 0 49 -2,-0.3 4,-1.7 1,-0.1 5,-0.1 -0.897 79.8 -69.1-163.6-170.1 16.6 1.0 7.3 140 147 A S H > S+ 0 0 95 -2,-0.3 4,-1.8 2,-0.2 5,-0.2 0.919 130.7 46.2 -62.7 -44.4 19.5 3.3 6.3 141 148 A E H > S+ 0 0 141 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.915 114.1 47.5 -64.8 -43.6 19.4 2.1 2.7 142 149 A M H > S+ 0 0 9 -5,-0.3 4,-1.7 1,-0.2 -1,-0.2 0.766 106.6 61.2 -68.8 -24.4 15.6 2.6 2.5 143 150 A K H X S+ 0 0 123 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.944 108.1 39.9 -67.3 -48.7 16.0 6.0 4.1 144 151 A Q H X S+ 0 0 101 -4,-1.8 4,-2.5 1,-0.2 -1,-0.2 0.713 108.7 66.7 -72.9 -20.0 18.2 7.4 1.3 145 152 A L H X S+ 0 0 72 -4,-1.2 4,-2.0 2,-0.2 -2,-0.2 0.968 106.2 37.0 -64.6 -54.7 15.9 5.6 -1.2 146 153 A I H X S+ 0 0 7 -4,-1.7 4,-2.6 2,-0.2 5,-0.2 0.914 117.9 51.9 -64.6 -43.4 12.8 7.7 -0.4 147 154 A D H X S+ 0 0 36 -4,-1.7 4,-2.4 1,-0.2 -1,-0.2 0.928 109.5 49.6 -58.9 -46.5 14.9 10.8 0.0 148 155 A N H X S+ 0 0 76 -4,-2.5 4,-2.7 1,-0.2 5,-0.2 0.908 111.8 48.6 -59.7 -42.9 16.6 10.3 -3.3 149 156 A I H X S+ 0 0 24 -4,-2.0 4,-2.6 1,-0.2 5,-0.3 0.897 110.8 50.8 -64.3 -41.2 13.3 9.8 -5.0 150 157 A L H X S+ 0 0 8 -4,-2.6 4,-0.8 2,-0.2 7,-0.3 0.886 113.2 45.6 -64.3 -39.5 11.8 12.9 -3.4 151 158 A E H < S+ 0 0 77 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.924 116.5 43.8 -69.9 -45.2 14.8 15.0 -4.6 152 159 A E H < S+ 0 0 157 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.846 128.6 30.4 -68.2 -34.2 14.8 13.6 -8.1 153 160 A S H < S+ 0 0 1 -4,-2.6 2,-0.2 -5,-0.2 -3,-0.2 0.927 123.8 33.3 -86.9 -78.1 11.0 13.9 -8.3 154 161 A D < - 0 0 6 -4,-0.8 -1,-0.2 -5,-0.3 7,-0.0 -0.540 57.4-166.5 -82.5 147.7 9.9 16.8 -6.1 155 162 A I S S+ 0 0 135 -2,-0.2 -1,-0.1 1,-0.1 -2,-0.0 0.810 81.9 70.7 -99.3 -42.3 12.1 19.9 -5.8 156 163 A D S S- 0 0 93 1,-0.2 -1,-0.1 2,-0.1 -5,-0.1 0.669 83.4-156.5 -50.3 -13.8 10.4 21.6 -2.8 157 164 A R + 0 0 156 -7,-0.3 -1,-0.2 1,-0.2 -6,-0.1 0.770 27.2 167.2 38.8 29.2 11.9 18.7 -0.9 158 165 A D - 0 0 65 1,-0.2 -1,-0.2 2,-0.2 3,-0.1 0.704 52.6-119.5 -44.4 -18.2 9.1 19.5 1.6 159 166 A G S S+ 0 0 23 1,-0.3 2,-0.3 -12,-0.1 -41,-0.3 0.409 86.3 64.0 89.8 -0.8 10.2 16.1 2.9 160 167 A T S S- 0 0 47 -43,-0.1 2,-0.5 -10,-0.1 -1,-0.3 -0.939 76.6-122.2-146.9 167.0 6.7 14.7 2.3 161 168 A I B -B 116 0B 9 -45,-1.6 -45,-1.2 -2,-0.3 2,-0.1 -0.967 25.9-170.7-120.0 124.5 4.3 13.9 -0.6 162 169 A N > - 0 0 52 -2,-0.5 4,-2.9 -47,-0.2 5,-0.2 -0.270 44.4 -84.7 -98.8-172.6 0.8 15.5 -0.8 163 170 A L H > S+ 0 0 69 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.951 130.0 43.3 -60.1 -51.1 -2.1 14.8 -3.1 164 171 A S H > S+ 0 0 72 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.917 119.5 43.4 -61.6 -43.6 -0.8 17.1 -5.9 165 172 A E H > S+ 0 0 21 2,-0.2 4,-2.1 1,-0.2 5,-0.4 0.819 111.4 56.7 -71.5 -30.9 2.7 15.8 -5.4 166 173 A F H X S+ 0 0 3 -4,-2.9 4,-2.1 1,-0.2 5,-0.3 0.955 105.5 48.5 -65.2 -50.9 1.4 12.2 -5.2 167 174 A Q H X S+ 0 0 89 -4,-2.5 4,-1.4 -5,-0.2 -1,-0.2 0.895 123.3 34.9 -56.4 -41.7 -0.4 12.3 -8.5 168 175 A H H >X S+ 0 0 96 -4,-1.5 3,-0.8 -5,-0.2 4,-0.6 0.985 115.4 49.4 -75.6 -73.9 2.7 13.8 -10.2 169 176 A V H >X S+ 0 0 4 -4,-2.1 3,-0.6 1,-0.3 4,-0.5 0.795 116.0 49.0 -34.4 -39.8 5.6 12.1 -8.3 170 177 A I H 3< S+ 0 0 14 -4,-2.1 3,-0.4 -5,-0.4 -1,-0.3 0.938 124.4 27.9 -69.6 -47.6 3.8 8.8 -9.0 171 178 A S H << S+ 0 0 78 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 -0.060 106.8 80.5-103.9 31.1 3.3 9.6 -12.7 172 179 A R H << S+ 0 0 127 -3,-0.6 -1,-0.2 -4,-0.6 -3,-0.2 0.590 99.5 25.2-107.9 -18.5 6.4 11.8 -13.0 173 180 A S S X S- 0 0 29 -4,-0.5 4,-1.7 -3,-0.4 -1,-0.3 -0.993 82.0-112.0-148.4 139.0 8.9 9.0 -13.3 174 181 A P H > S+ 0 0 109 0, 0.0 4,-1.3 0, 0.0 5,-0.3 0.675 100.7 91.2 -40.9 -17.1 8.8 5.3 -14.6 175 182 A D H > S- 0 0 88 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.911 112.2 -8.3 -45.4 -97.2 9.4 4.6 -10.9 176 183 A F H > S+ 0 0 62 -7,-0.3 4,-2.2 1,-0.2 -1,-0.2 0.644 125.3 80.8 -79.6 -14.8 6.0 4.2 -9.3 177 184 A A H < S+ 0 0 34 -4,-1.7 -1,-0.2 -8,-0.3 -2,-0.2 0.923 97.6 40.6 -56.4 -46.4 4.4 5.4 -12.5 178 185 A S H >< S+ 0 0 90 -4,-1.3 3,-0.8 -3,-0.4 -1,-0.2 0.876 119.6 45.2 -70.2 -38.0 4.7 1.9 -14.0 179 186 A S H >< S+ 0 0 70 -4,-0.8 3,-0.6 -5,-0.3 -2,-0.2 0.665 90.9 84.5 -78.7 -16.7 3.7 0.3 -10.8 180 187 A F T 3< + 0 0 48 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.442 61.9 105.9 -65.3 4.3 0.9 2.8 -10.4 181 188 A K T < S- 0 0 161 -3,-0.8 2,-0.4 1,-0.2 -1,-0.2 0.961 95.4 -13.2 -46.9 -72.6 -1.0 0.3 -12.6 182 189 A I S < S+ 0 0 104 -3,-0.6 2,-0.3 2,-0.0 -1,-0.2 -0.977 71.7 168.8-141.1 124.2 -3.3 -1.1 -9.9 183 190 A V 0 0 28 -2,-0.4 -123,-0.0 -3,-0.2 -3,-0.0 -0.974 360.0 360.0-134.8 148.9 -2.9 -0.7 -6.1 184 191 A L 0 0 34 -2,-0.3 -121,-0.1 -125,-0.1 -80,-0.0 -0.642 360.0 360.0-173.9 360.0 -5.1 -1.5 -3.2