==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 18-JAN-96 1IKU . COMPND 2 MOLECULE: RECOVERIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR T.TANAKA,J.B.AMES,T.S.HARVEY,L.STRYER,M.IKURA . 188 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 70.2 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 3.2 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 . 1 0.5 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 . 5 2.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 14.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 47.9 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 0 0 0 2 0 1 1 2 1 0 3 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 . 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 2 A G 0 0 29 0, 0.0 2,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 7.7 6.5 9.4 0.4 2 3 A N > - 0 0 92 1,-0.1 4,-0.8 109,-0.0 3,-0.4 -0.967 360.0-118.7-162.5 144.8 6.5 8.0 4.0 3 4 A S H >> S+ 0 0 30 -2,-0.3 3,-1.4 1,-0.2 4,-1.3 0.872 110.2 67.3 -53.1 -37.2 7.7 5.0 5.8 4 5 A K H >> S+ 0 0 91 1,-0.3 3,-1.6 2,-0.2 4,-1.4 0.951 94.9 53.5 -48.7 -56.6 4.1 4.1 6.7 5 6 A S H 3> S+ 0 0 9 -3,-0.4 4,-1.2 1,-0.3 -1,-0.3 0.769 102.6 62.3 -51.7 -23.0 3.3 3.4 3.0 6 7 A G H > - 0 0 52 1,-0.1 4,-1.3 3,-0.1 3,-0.6 0.042 28.4 -97.0 -50.1 168.2 11.9 -3.1 7.1 24 25 A E H 3> S+ 0 0 51 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.750 123.2 65.7 -63.4 -20.8 9.5 -0.6 5.7 25 26 A E H 3> S+ 0 0 89 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.914 98.1 51.8 -68.2 -40.9 12.1 2.1 6.5 26 27 A E H <> S+ 0 0 105 -3,-0.6 4,-2.9 1,-0.2 5,-0.3 0.967 106.6 51.6 -60.2 -53.2 14.6 0.8 4.0 27 28 A L H X S+ 0 0 21 -4,-1.3 4,-2.8 1,-0.2 5,-0.3 0.828 105.9 60.0 -53.9 -30.0 12.1 0.8 1.1 28 29 A S H X S+ 0 0 22 -4,-1.1 4,-1.7 2,-0.2 5,-0.3 0.975 111.0 36.0 -63.6 -54.4 11.4 4.4 2.1 29 30 A S H X S+ 0 0 66 -4,-1.8 4,-1.7 1,-0.2 5,-0.2 0.890 122.0 47.4 -67.2 -38.4 14.9 5.6 1.5 30 31 A W H X S+ 0 0 65 -4,-2.9 4,-2.7 -5,-0.2 5,-0.2 0.958 110.2 51.2 -68.3 -50.7 15.4 3.3 -1.4 31 32 A Y H X S+ 0 0 46 -4,-2.8 4,-2.5 -5,-0.3 5,-0.3 0.974 116.4 38.1 -51.6 -64.6 12.2 4.1 -3.2 32 33 A Q H X S+ 0 0 82 -4,-1.7 4,-2.6 -5,-0.3 3,-0.3 0.972 119.6 46.9 -52.1 -61.0 12.6 7.8 -3.1 33 34 A S H X S+ 0 0 58 -4,-1.7 4,-1.5 -5,-0.3 -1,-0.3 0.806 111.6 54.9 -52.2 -29.7 16.3 7.7 -3.8 34 35 A F H X S+ 0 0 32 -4,-2.7 4,-1.7 -3,-0.3 -1,-0.2 0.944 113.9 37.1 -71.9 -46.3 15.6 5.2 -6.6 35 36 A L H < S+ 0 0 30 -4,-2.5 -2,-0.2 -3,-0.3 -1,-0.2 0.726 112.0 62.2 -77.5 -19.9 13.1 7.4 -8.4 36 37 A K H < S+ 0 0 166 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.901 107.8 41.5 -71.8 -39.5 15.1 10.5 -7.6 37 38 A E H < S+ 0 0 165 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.920 106.9 72.5 -73.6 -43.6 18.2 9.3 -9.5 38 39 A C S < S- 0 0 20 -4,-1.7 5,-0.1 -5,-0.2 0, 0.0 -0.212 93.9-110.5 -67.6 163.9 16.2 7.9 -12.5 39 40 A P S S- 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -4,-0.0 0.993 88.3 -39.3 -58.4 -69.1 14.5 10.3 -15.0 40 41 A S S S- 0 0 78 2,-0.1 43,-0.2 -3,-0.0 -2,-0.1 0.410 111.0 -53.4-138.5 -11.9 10.9 9.7 -14.1 41 42 A G S S+ 0 0 0 1,-0.2 41,-2.0 41,-0.1 2,-0.5 0.418 85.9 141.6 143.6 16.1 10.7 5.9 -13.4 42 43 A R E +A 81 0A 139 39,-0.2 2,-0.3 40,-0.1 39,-0.2 -0.737 22.4 169.9 -89.0 124.5 12.2 4.3 -16.5 43 44 A I E -A 80 0A 6 37,-2.3 37,-1.7 -2,-0.5 2,-0.2 -0.851 23.8-128.9-128.7 165.3 14.4 1.3 -15.8 44 45 A T >> - 0 0 51 -2,-0.3 4,-2.9 35,-0.2 3,-0.5 -0.624 28.5-106.3-110.0 170.7 16.0 -1.5 -17.8 45 46 A R H 3> S+ 0 0 165 33,-0.5 4,-2.3 1,-0.2 5,-0.4 0.959 117.8 56.7 -60.8 -52.2 16.0 -5.3 -17.6 46 47 A Q H 34 S+ 0 0 100 1,-0.2 4,-0.3 2,-0.2 -1,-0.2 0.782 115.3 41.6 -51.9 -25.0 19.6 -5.5 -16.3 47 48 A E H X> S+ 0 0 96 -3,-0.5 4,-1.6 2,-0.1 3,-0.6 0.895 110.5 52.3 -90.3 -46.6 18.4 -3.2 -13.5 48 49 A F H >X S+ 0 0 22 -4,-2.9 4,-2.7 1,-0.2 3,-0.7 0.949 105.4 55.4 -55.5 -51.0 15.0 -4.6 -12.7 49 50 A Q H 3X S+ 0 0 80 -4,-2.3 4,-1.3 1,-0.3 -1,-0.2 0.836 106.5 53.4 -52.6 -31.8 16.3 -8.2 -12.2 50 51 A T H <> S+ 0 0 77 -3,-0.6 4,-1.6 -5,-0.4 -1,-0.3 0.863 110.1 46.2 -73.0 -34.1 18.7 -6.7 -9.7 51 52 A I H S+ 0 0 87 0, 0.0 2,-2.6 0, 0.0 3,-1.2 0.996 75.4 47.3 -64.0 -77.9 16.1 -13.6 -2.3 58 59 A E T 3 S+ 0 0 156 1,-0.2 -5,-0.0 -39,-0.2 0, 0.0 -0.394 99.2 73.9 -67.6 79.2 14.5 -17.0 -1.7 59 60 A A T 3 S- 0 0 6 -2,-2.6 3,-0.3 -3,-0.3 -1,-0.2 0.315 97.9-111.5-166.2 -4.4 12.0 -16.7 -4.6 60 61 A D X - 0 0 91 -3,-1.2 3,-1.0 1,-0.2 2,-0.1 0.591 31.9 -95.9 68.3 130.9 14.0 -17.3 -7.7 61 62 A P T 3 S+ 0 0 84 0, 0.0 -1,-0.2 0, 0.0 -8,-0.1 0.271 124.1 42.4 -63.4 18.4 14.5 -14.4 -10.2 62 63 A K T 3 S+ 0 0 134 -3,-0.3 -2,-0.1 -2,-0.1 0, 0.0 -0.111 78.5 112.7-159.2 51.4 11.5 -15.8 -12.0 63 64 A A S < S- 0 0 34 -3,-1.0 4,-0.1 -4,-0.1 -3,-0.1 0.834 91.1 -27.8 -90.7 -91.6 8.7 -16.8 -9.6 64 65 A Y S > S+ 0 0 64 -5,-0.1 3,-2.9 2,-0.1 4,-0.5 0.917 133.4 53.2 -91.8 -69.4 5.5 -14.8 -9.8 65 66 A A T 3> S+ 0 0 2 1,-0.3 4,-1.8 2,-0.2 5,-0.3 0.715 86.6 91.9 -40.4 -21.2 6.4 -11.3 -10.9 66 67 A Q H 3> S+ 0 0 105 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.854 87.8 46.2 -46.2 -35.9 8.1 -13.1 -13.8 67 68 A H H X> S+ 0 0 89 -3,-2.9 4,-2.2 2,-0.2 3,-1.0 0.933 104.4 60.1 -74.7 -45.9 4.8 -12.7 -15.6 68 69 A V H 3> S+ 0 0 0 -4,-0.5 4,-1.8 1,-0.3 3,-0.3 0.947 100.5 54.1 -45.8 -61.2 4.2 -9.0 -14.8 69 70 A F H 3X S+ 0 0 61 -4,-1.8 4,-1.8 1,-0.3 -1,-0.3 0.831 109.5 52.1 -44.5 -33.5 7.4 -8.0 -16.5 70 71 A R H << S+ 0 0 135 -3,-1.0 -1,-0.3 -4,-0.6 -2,-0.2 0.950 102.0 56.8 -70.8 -48.4 6.0 -9.8 -19.5 71 72 A S H < S+ 0 0 13 -4,-2.2 -2,-0.2 -3,-0.3 -1,-0.2 0.930 109.3 46.7 -48.1 -51.8 2.7 -8.0 -19.5 72 73 A F H < S- 0 0 31 -4,-1.8 -1,-0.2 59,-0.1 -2,-0.2 0.977 86.8-175.2 -56.4 -58.1 4.4 -4.6 -19.7 73 74 A D < - 0 0 101 -4,-1.8 -3,-0.1 -5,-0.2 6,-0.1 0.902 30.1-109.5 59.7 101.0 6.8 -5.7 -22.5 74 75 A A + 0 0 34 -5,-0.2 6,-0.1 1,-0.1 3,-0.1 0.030 37.1 176.4 -51.1 169.2 9.2 -2.9 -23.3 75 76 A N + 0 0 142 4,-0.6 2,-0.2 1,-0.3 -1,-0.1 0.195 58.3 42.4-165.4 21.5 8.8 -1.0 -26.6 76 77 A S S > S- 0 0 77 3,-0.3 3,-1.7 0, 0.0 -1,-0.3 -0.768 122.3 -15.0-175.4 126.4 11.3 1.8 -26.7 77 78 A D T 3 S- 0 0 150 1,-0.3 3,-0.1 -2,-0.2 -3,-0.0 0.547 109.9 -85.1 54.9 0.6 15.0 2.1 -25.7 78 79 A G T 3 S+ 0 0 42 1,-0.2 -33,-0.5 -34,-0.1 2,-0.3 0.940 96.8 119.9 68.7 46.7 14.3 -1.1 -23.9 79 80 A T < - 0 0 21 -3,-1.7 -4,-0.6 -35,-0.1 2,-0.3 -0.858 41.8-162.5-135.6 170.6 13.0 0.5 -20.8 80 81 A L E -A 43 0A 13 -37,-1.7 -37,-2.3 -2,-0.3 2,-0.1 -0.995 31.5 -94.0-155.8 150.1 9.8 0.6 -18.7 81 82 A D E > -A 42 0A 32 -2,-0.3 4,-0.6 -39,-0.2 -39,-0.2 -0.375 28.4-164.4 -65.0 139.2 8.0 2.7 -16.0 82 83 A F H > S+ 0 0 10 -41,-2.0 4,-2.7 2,-0.2 5,-0.2 0.902 81.6 56.6 -91.5 -50.1 8.7 1.5 -12.5 83 84 A K H > S+ 0 0 62 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.926 111.3 45.6 -47.7 -50.8 6.0 3.3 -10.5 84 85 A E H > S+ 0 0 45 1,-0.2 4,-2.9 2,-0.2 5,-0.3 0.931 109.5 54.8 -60.9 -44.2 3.3 1.7 -12.6 85 86 A Y H X S+ 0 0 9 -4,-0.6 4,-2.5 2,-0.2 -1,-0.2 0.906 111.0 47.3 -56.3 -39.9 5.0 -1.7 -12.4 86 87 A V H X S+ 0 0 19 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.992 111.4 47.0 -65.3 -61.5 4.9 -1.4 -8.7 87 88 A I H X S+ 0 0 3 -4,-2.5 4,-2.8 1,-0.2 -2,-0.2 0.926 113.5 50.3 -46.1 -50.7 1.3 -0.3 -8.3 88 89 A A H < S+ 0 0 0 -4,-2.9 -1,-0.2 -5,-0.2 5,-0.2 0.957 108.6 52.9 -53.9 -50.4 0.3 -3.0 -10.7 89 90 A L H < S+ 0 0 14 -4,-2.5 4,-0.5 -5,-0.3 -2,-0.2 0.959 117.7 36.3 -48.7 -59.9 2.2 -5.5 -8.6 90 91 A H H >< S+ 0 0 7 -4,-2.6 3,-2.0 2,-0.1 2,-0.8 0.990 109.8 63.9 -58.0 -66.2 0.4 -4.5 -5.4 91 92 A M T 3< S+ 0 0 0 -4,-2.8 -1,-0.1 1,-0.2 96,-0.0 -0.505 110.6 28.1 -67.2 104.7 -3.0 -3.9 -6.9 92 93 A T T 3 S+ 0 0 24 -2,-0.8 -1,-0.2 95,-0.0 -2,-0.1 0.017 80.1 111.4 131.7 -20.2 -4.1 -7.3 -8.2 93 94 A S S < S- 0 0 23 -3,-2.0 -2,-0.1 -4,-0.5 -3,-0.1 0.632 86.9-120.1 -57.3 -8.6 -2.2 -9.6 -5.8 94 95 A A + 0 0 74 -4,-0.2 2,-0.3 1,-0.1 3,-0.1 0.860 62.9 115.5 68.2 104.7 -5.6 -10.4 -4.5 95 96 A G - 0 0 35 1,-0.3 -1,-0.1 -80,-0.0 -83,-0.0 -0.885 63.3 -27.9-170.7-159.7 -6.1 -9.5 -0.8 96 97 A K - 0 0 143 -2,-0.3 -1,-0.3 1,-0.1 4,-0.3 0.128 55.1-126.1 -58.7-173.8 -8.1 -7.3 1.5 97 98 A T S >> S+ 0 0 27 2,-0.1 3,-2.0 3,-0.1 4,-1.7 0.804 98.1 44.5-101.4 -81.7 -9.4 -3.9 0.4 98 99 A N H 3> S+ 0 0 77 1,-0.3 4,-1.6 2,-0.2 5,-0.4 0.748 106.2 71.2 -36.8 -27.4 -8.4 -0.9 2.5 99 100 A Q H 3> S+ 0 0 36 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.952 106.2 31.7 -59.6 -50.4 -5.0 -2.6 2.5 100 101 A K H <> S+ 0 0 0 -3,-2.0 4,-1.9 -4,-0.3 -1,-0.2 0.803 121.0 54.7 -78.6 -27.8 -4.3 -1.8 -1.2 101 102 A L H >X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 3,-1.1 0.999 104.8 46.4 -67.6 -72.3 -6.3 1.5 -1.0 102 103 A E H 3X S+ 0 0 71 -4,-1.6 4,-1.3 1,-0.3 -1,-0.2 0.782 116.7 51.7 -42.0 -27.0 -4.6 3.3 1.9 103 104 A W H 3X S+ 0 0 9 -4,-0.6 4,-1.9 -5,-0.4 -1,-0.3 0.888 109.5 46.6 -79.7 -39.5 -1.5 2.3 0.2 104 105 A A H > - 0 0 49 -2,-0.4 4,-1.5 48,-0.2 3,-0.5 -0.477 29.2-103.6 -98.7 170.9 -6.9 14.0 -8.8 118 119 A K H >> S+ 0 0 50 46,-0.4 4,-2.2 1,-0.2 3,-0.9 0.964 118.4 59.4 -55.3 -56.6 -8.8 12.1 -11.4 119 120 A N H 3> S+ 0 0 127 1,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.835 104.0 55.2 -43.0 -34.8 -5.9 11.9 -13.9 120 121 A E H <> S+ 0 0 50 -3,-0.5 4,-1.8 2,-0.2 -1,-0.3 0.936 104.3 51.5 -67.1 -44.5 -4.2 10.1 -11.1 121 122 A V H X S+ 0 0 1 -4,-1.8 3,-1.7 -3,-0.3 4,-1.7 0.992 110.8 50.0 -63.2 -59.4 -3.6 3.6 -11.8 125 126 A V H 3X S+ 0 0 3 -4,-2.5 4,-2.3 1,-0.3 -1,-0.2 0.799 109.3 55.4 -49.9 -28.3 -6.4 1.9 -13.7 126 127 A T H 3X S+ 0 0 40 -4,-2.5 4,-1.7 -5,-0.3 -1,-0.3 0.833 102.1 56.5 -75.2 -30.1 -4.1 2.1 -16.7 127 128 A A H > - 0 0 32 -2,-0.3 4,-1.7 1,-0.1 3,-0.7 -0.585 23.8-115.0 -81.4 143.3 -3.0 -9.5 -21.4 134 135 A P T 34 S+ 0 0 120 0, 0.0 4,-0.2 0, 0.0 -1,-0.1 0.565 116.8 60.0 -52.5 -4.2 -5.1 -8.6 -24.4 135 136 A E T >4 S+ 0 0 115 2,-0.1 3,-0.9 1,-0.1 4,-0.2 0.893 106.9 37.6 -91.1 -49.5 -6.3 -12.2 -24.0 136 137 A D G X> S+ 0 0 87 -3,-0.7 3,-0.9 1,-0.2 4,-0.8 0.608 104.3 74.3 -77.8 -9.9 -7.8 -12.1 -20.6 137 138 A T G 3< S+ 0 0 31 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.1 0.746 85.2 64.0 -73.9 -21.4 -9.1 -8.6 -21.3 138 139 A K G <4 S+ 0 0 142 -3,-0.9 -1,-0.2 1,-0.2 -2,-0.2 0.656 98.5 56.0 -75.5 -13.6 -11.8 -10.1 -23.5 139 140 A H T <4 S+ 0 0 130 -3,-0.9 -1,-0.2 -4,-0.2 -2,-0.2 0.776 84.1 101.0 -87.6 -28.6 -13.2 -11.8 -20.5 140 141 A L S < S- 0 0 18 -4,-0.8 4,-0.1 -3,-0.1 48,-0.0 -0.180 84.9 -97.0 -55.4 150.0 -13.7 -8.6 -18.5 141 142 A P - 0 0 56 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.159 32.9-106.9 -56.3-176.7 -17.2 -7.2 -18.4 142 143 A E S > S+ 0 0 161 1,-0.2 3,-1.6 2,-0.1 -2,-0.1 0.720 109.8 74.5 -90.0 -22.5 -18.3 -4.5 -20.8 143 144 A D T 3 S+ 0 0 79 1,-0.3 -1,-0.2 2,-0.1 -3,-0.0 0.105 97.7 51.1 -77.7 27.8 -18.4 -1.7 -18.1 144 145 A E T 3 + 0 0 9 -3,-0.4 -1,-0.3 -4,-0.1 6,-0.1 0.185 62.5 137.4-145.4 13.4 -14.5 -1.8 -18.2 145 146 A N S < S- 0 0 121 -3,-1.6 -2,-0.1 1,-0.1 -5,-0.0 0.805 79.7 -1.2 -32.3 -47.9 -13.9 -1.4 -21.9 146 147 A T S >> S- 0 0 26 1,-0.0 4,-2.2 -3,-0.0 3,-0.5 -0.995 70.2-110.1-150.5 155.9 -11.1 1.1 -21.2 147 148 A P H 3> S+ 0 0 20 0, 0.0 4,-1.3 0, 0.0 5,-0.2 0.643 115.0 64.1 -57.8 -13.1 -9.4 2.8 -18.3 148 149 A E H 3> S+ 0 0 122 2,-0.2 4,-1.9 3,-0.2 5,-0.2 0.939 108.3 33.6 -78.9 -49.0 -11.1 6.0 -19.6 149 150 A K H <> S+ 0 0 120 -3,-0.5 4,-1.5 1,-0.2 5,-0.2 0.782 120.5 53.1 -77.1 -24.3 -14.7 5.0 -19.1 150 151 A R H X S+ 0 0 11 -4,-2.2 4,-1.6 2,-0.2 -2,-0.2 0.867 112.5 42.2 -78.0 -35.9 -13.7 3.1 -16.0 151 152 A A H X S+ 0 0 3 -4,-1.3 4,-2.2 -5,-0.3 -2,-0.2 0.893 111.8 54.5 -77.6 -38.8 -11.9 6.0 -14.4 152 153 A E H X S+ 0 0 114 -4,-1.9 4,-2.4 2,-0.2 5,-0.2 0.951 109.7 47.3 -59.1 -48.6 -14.5 8.5 -15.3 153 154 A K H X S+ 0 0 105 -4,-1.5 4,-0.8 1,-0.2 -1,-0.2 0.962 109.8 52.1 -57.5 -52.2 -17.3 6.5 -13.7 154 155 A I H >X>S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 3,-0.6 0.876 110.1 50.9 -52.2 -38.0 -15.2 6.0 -10.5 155 156 A W H 3X>S+ 0 0 3 -4,-2.2 4,-1.4 1,-0.2 5,-0.7 0.920 108.1 49.8 -67.6 -42.5 -14.7 9.7 -10.4 156 157 A G H 3<5S+ 0 0 60 -4,-2.4 -1,-0.2 3,-0.2 -2,-0.2 0.561 111.0 57.6 -72.8 -4.4 -18.4 10.4 -10.8 157 158 A F H <<5S+ 0 0 65 -4,-0.8 -2,-0.2 -3,-0.6 -3,-0.1 0.937 127.3 3.5 -89.4 -70.1 -18.9 7.9 -8.0 158 159 A F H <5S+ 0 0 17 -4,-1.7 -3,-0.2 1,-0.1 -2,-0.1 0.555 124.5 67.9 -94.7 -7.6 -16.9 9.1 -5.0 159 160 A G T << - 0 0 6 -4,-1.4 6,-0.2 -5,-0.6 -3,-0.2 0.886 66.7-175.8 -77.2 -38.4 -15.8 12.4 -6.6 160 161 A K < + 0 0 169 -5,-0.7 2,-0.3 4,-0.1 -4,-0.1 0.548 67.2 72.8 55.0 1.5 -19.3 13.9 -6.6 161 162 A K S S- 0 0 135 -6,-0.5 3,-0.5 4,-0.0 -4,-0.1 -0.910 89.5-120.4-149.1 116.8 -17.5 16.7 -8.4 162 163 A D S S- 0 0 133 -2,-0.3 -10,-0.0 1,-0.2 -6,-0.0 -0.309 98.0 -0.4 -56.2 130.9 -16.1 16.6 -12.0 163 164 A D S S+ 0 0 122 1,-0.1 -1,-0.2 -46,-0.0 2,-0.1 0.975 104.4 129.4 50.8 68.8 -12.4 17.2 -11.9 164 165 A D - 0 0 26 -3,-0.5 -46,-0.4 -48,-0.1 2,-0.3 -0.162 53.8 -90.2-124.3-141.7 -12.1 17.6 -8.1 165 166 A K - 0 0 109 -6,-0.2 2,-0.4 -48,-0.1 -48,-0.2 -0.996 19.4-147.9-145.4 149.7 -10.0 16.2 -5.4 166 167 A L E -B 116 0B 2 -50,-1.6 -50,-1.5 -2,-0.3 2,-0.1 -0.949 14.2-145.7-119.6 137.1 -10.1 13.2 -3.0 167 168 A T E > -B 115 0B 54 -2,-0.4 4,-2.7 -52,-0.2 5,-0.3 -0.473 33.6 -98.2 -94.1 170.3 -8.7 13.1 0.5 168 169 A E H > S+ 0 0 73 -54,-0.6 4,-1.9 2,-0.2 5,-0.1 0.963 124.2 36.5 -50.9 -59.3 -7.0 10.2 2.3 169 170 A K H >>S+ 0 0 148 2,-0.2 4,-2.8 1,-0.2 5,-0.5 0.978 114.1 55.7 -59.3 -58.4 -10.2 9.3 4.2 170 171 A E H >5S+ 0 0 107 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.905 107.3 50.7 -39.5 -56.9 -12.6 10.1 1.3 171 172 A F H X5S+ 0 0 2 -4,-2.7 4,-1.7 2,-0.2 -1,-0.2 0.936 115.7 42.0 -49.7 -52.3 -10.8 7.8 -1.0 172 173 A I H >X5S+ 0 0 18 -4,-1.9 4,-2.4 -5,-0.3 3,-0.8 0.991 117.1 44.7 -60.4 -61.6 -10.9 5.0 1.5 173 174 A E H 3X5S+ 0 0 111 -4,-2.8 4,-1.5 1,-0.2 5,-0.3 0.708 108.4 64.0 -56.8 -17.1 -14.5 5.6 2.6 174 175 A G H 3X S+ 0 0 123 -2,-0.5 4,-1.8 2,-0.2 5,-0.2 0.842 88.3 62.2 -75.3 -32.5 -19.2 -1.6 -3.8 180 181 A E H >> S+ 0 0 78 2,-0.2 4,-1.3 1,-0.2 3,-1.2 0.989 103.6 45.9 -55.9 -64.4 -19.0 -0.4 -7.4 181 182 A I H >> S+ 0 0 0 1,-0.3 4,-1.6 2,-0.2 3,-1.5 0.911 109.7 56.0 -44.4 -50.7 -16.0 1.8 -7.0 182 183 A L H 3X S+ 0 0 39 -4,-1.3 4,-1.8 -7,-0.5 -1,-0.3 0.869 111.7 43.0 -52.3 -37.6 -14.3 -1.0 -5.1 183 184 A R H << S+ 0 0 157 -4,-1.8 -1,-0.3 -3,-1.2 -2,-0.2 0.581 115.1 50.5 -85.3 -9.0 -14.9 -3.3 -8.1 184 185 A L H << S+ 0 0 18 -3,-1.5 -2,-0.2 -4,-1.3 -1,-0.2 0.516 120.0 34.2-102.8 -8.4 -13.9 -0.5 -10.5 185 186 A I H < S+ 0 0 5 -4,-1.6 2,-1.5 -5,-0.3 -2,-0.2 0.768 104.6 65.6-112.0 -46.3 -10.6 0.3 -8.7 186 187 A Q S < S- 0 0 38 -4,-1.8 -1,-0.2 -5,-0.4 -94,-0.0 -0.592 109.0 -94.3 -83.9 87.8 -9.3 -3.0 -7.3 187 188 A F 0 0 54 -2,-1.5 -1,-0.1 1,-0.1 -58,-0.1 -0.064 360.0 360.0 40.6-132.7 -8.5 -5.0 -10.4 188 189 A E 0 0 99 -96,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.993 360.0 360.0 -65.4 360.0 -11.4 -7.2 -11.3