==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CONTRACTILE PROTEIN REGULATOR 17-JUL-07 2JT0 . COMPND 2 MOLECULE: TROPONIN C, SLOW SKELETAL AND CARDIAC MUSCLES; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.WANG,P.MERCIER,P.-J.LETOURNEAU,B.D.SYKES . 161 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12900.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 68.9 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 . 5 3.1 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 3.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 17.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 70 43.5 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 1 0 1 0 1 2 3 0 1 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 . 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 M 0 0 169 0, 0.0 4,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.5 -11.8 16.1 -13.8 2 2 A D > + 0 0 111 2,-0.1 4,-2.5 3,-0.1 3,-0.2 0.644 360.0 62.4-113.6 -28.4 -12.8 13.2 -11.6 3 3 A D H > S+ 0 0 122 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.949 96.7 57.9 -64.0 -50.9 -13.3 10.4 -14.2 4 4 A I H 4 S+ 0 0 101 1,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.809 116.1 38.2 -49.6 -31.8 -9.7 10.5 -15.4 5 5 A Y H >> S+ 0 0 18 -3,-0.2 4,-3.0 2,-0.2 3,-0.9 0.822 104.0 67.3 -88.5 -36.5 -8.7 9.7 -11.8 6 6 A K H 3X S+ 0 0 133 -4,-2.5 4,-2.0 1,-0.3 -2,-0.2 0.811 100.0 53.8 -53.5 -31.1 -11.6 7.3 -11.1 7 7 A A H 3X S+ 0 0 48 -4,-1.8 4,-0.7 2,-0.2 -1,-0.3 0.825 111.6 43.6 -73.6 -32.6 -10.0 5.0 -13.6 8 8 A A H <> S+ 0 0 16 -3,-0.9 4,-1.0 -4,-0.4 -2,-0.2 0.873 116.0 46.3 -79.3 -40.2 -6.7 5.1 -11.8 9 9 A V H < S+ 0 0 43 -4,-3.0 -2,-0.2 2,-0.2 -3,-0.2 0.902 113.2 48.8 -68.9 -42.4 -8.1 4.8 -8.3 10 10 A E H < S+ 0 0 132 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.766 117.6 42.5 -68.6 -25.4 -10.4 1.9 -9.3 11 11 A Q H < S+ 0 0 150 -4,-0.7 -1,-0.2 -5,-0.1 -2,-0.2 0.570 97.3 101.9 -95.3 -12.9 -7.4 0.2 -10.9 12 12 A L S < S- 0 0 43 -4,-1.0 2,-0.3 -3,-0.2 -3,-0.1 0.160 70.9-113.5 -58.5-175.1 -5.1 1.1 -8.0 13 13 A T >> - 0 0 82 1,-0.0 3,-1.1 0, 0.0 4,-0.6 -0.775 26.8 -99.1-123.0 168.1 -4.1 -1.5 -5.4 14 14 A E H >> S+ 0 0 161 -2,-0.3 4,-1.5 1,-0.3 3,-0.6 0.718 113.7 77.4 -57.4 -20.2 -4.6 -1.9 -1.6 15 15 A E H >> S+ 0 0 136 1,-0.3 4,-2.6 2,-0.2 3,-0.6 0.942 86.9 54.7 -55.3 -52.1 -1.1 -0.4 -1.3 16 16 A Q H <> S+ 0 0 34 -3,-1.1 4,-1.0 1,-0.3 -1,-0.3 0.793 104.8 57.6 -53.2 -28.8 -2.4 3.1 -1.9 17 17 A K H X S+ 0 0 16 -4,-1.0 4,-3.4 -5,-0.3 3,-0.5 0.994 112.9 34.3 -71.7 -70.5 -2.8 6.9 2.7 21 21 A K H 3X S+ 0 0 123 -4,-1.8 4,-2.0 1,-0.2 -2,-0.2 0.783 113.6 66.1 -56.2 -27.3 -3.9 6.3 6.3 22 22 A A H 3< S+ 0 0 53 -4,-2.1 4,-0.4 -5,-0.2 -1,-0.2 0.951 115.5 24.1 -60.1 -52.2 -0.2 5.8 7.0 23 23 A A H XX S+ 0 0 22 -4,-1.4 4,-1.6 -3,-0.5 3,-1.2 0.877 118.1 61.6 -81.2 -41.3 0.7 9.4 6.2 24 24 A F H 3X S+ 0 0 35 -4,-3.4 4,-2.4 1,-0.3 5,-0.3 0.879 100.5 55.8 -52.3 -41.2 -2.8 10.9 6.9 25 25 A D H 3X>S+ 0 0 79 -4,-2.0 4,-1.5 -5,-0.3 5,-0.8 0.806 103.2 57.0 -62.5 -29.7 -2.5 9.7 10.5 26 26 A I H <45S+ 0 0 110 -3,-1.2 -1,-0.2 -4,-0.4 -2,-0.2 0.931 109.8 42.1 -67.6 -47.1 0.7 11.7 10.8 27 27 A F H <5S+ 0 0 80 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.1 0.957 120.2 41.7 -64.8 -52.5 -0.9 15.0 9.8 28 28 A V H <5S- 0 0 12 -4,-2.4 -1,-0.2 6,-0.2 -2,-0.2 0.767 95.2-149.6 -66.5 -25.6 -4.1 14.4 11.9 29 29 A L T <5S- 0 0 147 -4,-1.5 -3,-0.2 -5,-0.3 -4,-0.1 0.900 71.5 -45.3 55.6 43.6 -1.9 13.1 14.7 30 30 A G S > -A 71 0A 60 -2,-0.4 3,-1.6 34,-0.2 4,-0.9 -0.241 15.3-120.0 -59.3 145.5 -4.9 22.4 4.2 38 38 A T H >> S+ 0 0 23 32,-1.8 3,-1.2 1,-0.3 4,-0.6 0.896 114.9 60.0 -53.2 -43.9 -4.2 23.1 0.5 39 39 A K H 34 S+ 0 0 173 31,-0.3 -1,-0.3 1,-0.3 3,-0.3 0.759 109.9 43.8 -57.1 -24.3 -1.2 25.2 1.4 40 40 A E H X> S+ 0 0 52 -3,-1.6 4,-1.9 1,-0.2 3,-1.7 0.570 88.6 88.6 -96.0 -12.9 0.2 22.1 3.1 41 41 A L H S+ 0 0 126 -3,-1.7 4,-2.0 2,-0.2 -2,-0.2 0.858 98.4 63.0 -83.0 -39.0 4.4 19.5 1.9 44 44 A V H < S+ 0 0 7 -4,-1.9 4,-0.4 1,-0.2 -1,-0.2 0.823 103.0 52.7 -54.9 -32.3 2.8 16.1 2.1 45 45 A M H >< S+ 0 0 14 -4,-0.6 3,-1.1 1,-0.2 -1,-0.2 0.911 106.9 49.7 -70.7 -43.8 4.4 15.3 -1.2 46 46 A R H >< S+ 0 0 177 -4,-0.8 3,-1.3 1,-0.3 4,-0.4 0.809 103.8 61.1 -64.9 -30.0 7.9 16.2 -0.1 47 47 A M T 3< S+ 0 0 115 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.684 95.9 62.4 -70.3 -17.6 7.4 14.1 3.0 48 48 A L T < S- 0 0 64 -3,-1.1 -1,-0.3 -4,-0.4 -2,-0.2 0.084 123.1-101.1 -94.6 22.7 6.9 11.1 0.7 49 49 A G S < S+ 0 0 61 -3,-1.3 2,-0.3 1,-0.2 -2,-0.1 0.950 80.1 99.9 56.4 93.3 10.5 11.5 -0.6 50 50 A Q S S- 0 0 102 -4,-0.4 -1,-0.2 2,-0.0 -5,-0.0 -0.973 78.4 -84.6-179.3-176.6 10.3 13.3 -4.0 51 51 A N + 0 0 134 -2,-0.3 -5,-0.1 2,-0.0 -6,-0.0 -0.646 54.9 170.2-113.8 73.5 10.6 16.5 -5.9 52 52 A P - 0 0 28 0, 0.0 -10,-0.1 0, 0.0 -9,-0.0 0.078 27.7-135.0 -69.7-173.7 7.2 18.2 -5.5 53 53 A T >> + 0 0 71 1,-0.1 4,-1.2 2,-0.0 3,-0.7 -0.673 22.0 175.7-153.4 91.7 6.3 21.8 -6.5 54 54 A P H 3> S+ 0 0 85 0, 0.0 4,-1.1 0, 0.0 -12,-0.1 0.647 82.2 67.1 -69.7 -15.2 4.2 23.9 -4.1 55 55 A E H 34 S+ 0 0 181 1,-0.2 4,-0.4 2,-0.2 -2,-0.0 0.845 102.0 44.5 -74.2 -34.9 4.6 26.8 -6.5 56 56 A E H X> S+ 0 0 121 -3,-0.7 4,-1.2 1,-0.2 3,-0.9 0.806 102.3 67.6 -78.3 -31.3 2.5 25.1 -9.1 57 57 A L H >X S+ 0 0 29 -4,-1.2 4,-1.7 1,-0.3 3,-1.2 0.927 94.5 56.0 -53.8 -49.4 -0.1 24.0 -6.6 58 58 A Q H 3X S+ 0 0 140 -4,-1.1 4,-1.3 1,-0.3 -1,-0.3 0.794 105.0 54.9 -54.5 -28.7 -1.2 27.6 -6.0 59 59 A E H <> S+ 0 0 138 -3,-0.9 4,-1.1 -4,-0.4 -1,-0.3 0.793 105.4 53.1 -75.6 -29.2 -1.8 27.8 -9.7 60 60 A M H XX S+ 0 0 62 -3,-1.2 4,-3.4 -4,-1.2 3,-0.7 0.986 113.7 37.9 -69.2 -61.3 -4.1 24.8 -9.6 61 61 A I H 3< S+ 0 0 52 -4,-1.7 -2,-0.2 1,-0.2 -1,-0.2 0.841 107.8 68.6 -59.5 -34.1 -6.5 26.0 -6.9 62 62 A D H 3< S+ 0 0 114 -4,-1.3 -1,-0.2 -5,-0.4 -2,-0.2 0.908 116.8 22.5 -51.4 -46.8 -6.3 29.5 -8.3 63 63 A E H << S+ 0 0 162 -4,-1.1 2,-0.3 -3,-0.7 -2,-0.2 0.880 144.1 2.5 -88.1 -45.2 -8.2 28.4 -11.4 64 64 A V < - 0 0 93 -4,-3.4 -1,-0.3 -5,-0.2 -2,-0.1 -0.967 45.8-170.7-149.0 128.8 -9.9 25.4 -10.0 65 65 A D - 0 0 22 -2,-0.3 4,-0.2 -3,-0.1 5,-0.2 0.414 43.4-126.5 -95.5 -0.5 -10.0 23.9 -6.5 66 66 A E S S+ 0 0 80 1,-0.2 -5,-0.0 -6,-0.2 -2,-0.0 0.691 101.7 15.5 62.5 17.2 -11.8 20.8 -7.7 67 67 A D S S- 0 0 77 9,-0.0 -1,-0.2 0, 0.0 -3,-0.0 0.101 96.7-122.6 179.8 -42.4 -14.3 21.5 -4.9 68 68 A G S S+ 0 0 63 -3,-0.1 -2,-0.1 3,-0.1 -7,-0.0 0.865 77.7 110.8 82.2 38.7 -13.9 25.1 -3.7 69 69 A S S S- 0 0 71 -4,-0.2 3,-0.1 2,-0.2 -3,-0.1 0.762 72.5-132.5-108.8 -44.4 -13.3 24.3 -0.1 70 70 A G S S+ 0 0 27 1,-0.4 -32,-1.8 -5,-0.2 -31,-0.3 0.340 74.5 85.3 104.4 -5.2 -9.7 25.1 0.5 71 71 A T E S-A 37 0A 50 -34,-0.2 2,-0.6 -33,-0.1 -1,-0.4 -0.688 77.1-113.8-121.4 175.3 -8.8 21.9 2.3 72 72 A V E -A 36 0A 6 -36,-1.4 -36,-0.9 -2,-0.2 2,-0.0 -0.918 34.3-177.5-117.4 107.5 -7.8 18.4 1.4 73 73 A D > - 0 0 65 -2,-0.6 4,-2.3 -38,-0.2 5,-0.2 -0.094 45.1 -83.8 -87.5-169.9 -10.2 15.6 2.2 74 74 A F H > S+ 0 0 100 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.987 129.2 39.9 -60.6 -62.7 -9.9 11.9 1.7 75 75 A D H > S+ 0 0 105 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.896 114.4 55.8 -54.2 -43.5 -11.0 11.7 -2.0 76 76 A E H > S+ 0 0 23 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.917 113.8 39.7 -56.2 -46.5 -9.0 14.9 -2.6 77 77 A F H X S+ 0 0 9 -4,-2.3 4,-3.3 2,-0.2 5,-0.2 0.963 113.7 52.0 -68.4 -53.9 -5.8 13.3 -1.3 78 78 A L H X S+ 0 0 31 -4,-3.2 4,-1.4 1,-0.2 -2,-0.2 0.850 113.3 47.9 -51.3 -36.9 -6.4 9.9 -2.8 79 79 A V H X S+ 0 0 24 -4,-2.5 4,-2.4 -5,-0.3 -1,-0.2 0.945 112.4 46.0 -70.4 -50.3 -6.9 11.6 -6.1 80 80 A M H X S+ 0 0 28 -4,-2.2 4,-1.6 -5,-0.2 -2,-0.2 0.887 106.7 61.0 -60.1 -40.4 -3.8 13.8 -5.9 81 81 A M H X S+ 0 0 45 -4,-3.3 4,-0.7 1,-0.2 3,-0.3 0.927 115.0 32.7 -52.5 -50.2 -1.7 10.8 -4.8 82 82 A V H X S+ 0 0 6 -4,-1.4 4,-1.2 -5,-0.2 -1,-0.2 0.773 106.1 73.9 -78.3 -27.6 -2.4 9.0 -8.0 83 83 A R H < S+ 0 0 95 -4,-2.4 3,-0.3 1,-0.2 -1,-0.2 0.857 99.8 45.7 -53.4 -37.5 -2.6 12.3 -10.0 84 84 A S H < S+ 0 0 63 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.848 99.0 68.9 -75.0 -35.7 1.2 12.4 -9.7 85 85 A M H < S+ 0 0 101 -4,-0.7 -1,-0.2 -5,-0.2 -2,-0.2 0.821 79.4 102.1 -51.9 -32.7 1.7 8.8 -10.6 86 86 A K S < S+ 0 0 108 -4,-1.2 -3,-0.0 -3,-0.3 -78,-0.0 -0.251 83.3 16.2 -55.8 138.0 0.5 9.8 -14.1 87 87 A D S S+ 0 0 166 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.973 89.5 143.8 59.5 87.9 3.4 10.1 -16.6 88 88 A D - 0 0 100 3,-0.0 -1,-0.1 1,-0.0 3,-0.1 -0.841 49.9-144.1-143.5 179.3 6.3 8.3 -15.0 89 89 A S S S+ 0 0 114 -2,-0.3 2,-0.2 1,-0.2 -2,-0.0 -0.012 82.7 62.9-139.9 29.0 9.4 6.2 -15.8 90 90 A K + 0 0 167 1,-0.1 -1,-0.2 0, 0.0 2,-0.0 -0.653 53.6 117.8-159.4 95.5 9.6 3.9 -12.8 91 91 A G + 0 0 68 -2,-0.2 2,-0.3 -3,-0.1 -1,-0.1 -0.399 34.3 119.1-162.9 77.1 6.8 1.4 -12.0 92 92 A K - 0 0 182 1,-0.1 3,-0.2 -2,-0.0 4,-0.2 -0.978 52.5-142.5-143.0 154.5 7.5 -2.3 -12.0 93 93 A S S >> S+ 0 0 67 -2,-0.3 4,-2.1 1,-0.2 3,-1.0 0.613 88.5 86.3 -89.7 -15.2 7.5 -5.2 -9.6 94 94 A E H 3> S+ 0 0 104 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.876 81.0 62.5 -51.6 -41.1 10.7 -6.7 -11.1 95 95 A E H 3> S+ 0 0 165 1,-0.2 4,-0.6 -3,-0.2 -1,-0.3 0.881 109.3 40.1 -52.9 -41.4 12.7 -4.5 -8.8 96 96 A E H <> S+ 0 0 152 -3,-1.0 4,-1.0 -4,-0.2 3,-0.4 0.808 111.3 57.5 -78.0 -31.5 11.2 -6.3 -5.8 97 97 A L H X S+ 0 0 12 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.817 94.6 67.3 -68.2 -30.9 11.4 -9.7 -7.5 98 98 A S H X S+ 0 0 49 -4,-2.4 4,-1.4 1,-0.2 -1,-0.2 0.892 96.6 54.8 -56.4 -42.0 15.1 -9.3 -7.9 99 99 A D H >X S+ 0 0 125 -4,-0.6 4,-1.8 -3,-0.4 3,-0.6 0.958 110.8 43.2 -56.9 -55.2 15.6 -9.5 -4.1 100 100 A L H 3X S+ 0 0 28 -4,-1.0 4,-2.2 1,-0.2 5,-0.3 0.946 106.2 61.1 -56.6 -52.0 13.7 -12.8 -3.8 101 101 A F H 3< S+ 0 0 29 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.828 107.3 48.1 -44.4 -36.4 15.5 -14.3 -6.9 102 102 A R H X< S+ 0 0 181 -4,-1.4 3,-1.6 -3,-0.6 -1,-0.3 0.918 105.5 55.4 -72.6 -45.4 18.7 -13.7 -4.9 103 103 A M H 3< S+ 0 0 79 -4,-1.8 3,-0.2 1,-0.3 -2,-0.2 0.839 116.3 38.9 -56.3 -34.2 17.4 -15.3 -1.7 104 104 A W T 3< S+ 0 0 20 -4,-2.2 -1,-0.3 1,-0.2 2,-0.2 0.362 120.8 50.1 -96.8 3.0 16.6 -18.4 -3.8 105 105 A D < + 0 0 21 -3,-1.6 2,-0.5 -5,-0.3 -1,-0.2 -0.678 58.7 151.1-144.3 85.4 19.8 -18.1 -5.8 106 106 A K + 0 0 123 -2,-0.2 -4,-0.1 -3,-0.2 -3,-0.1 -0.689 57.6 56.3-118.1 77.3 23.0 -17.6 -3.8 107 107 A N S S- 0 0 133 -2,-0.5 -2,-0.1 -5,-0.0 -5,-0.0 -0.023 103.2 -78.8-157.2 -90.0 25.8 -19.1 -5.9 108 108 A A S S+ 0 0 102 3,-0.1 -2,-0.0 0, 0.0 -3,-0.0 0.217 101.0 80.2 171.5 37.2 26.6 -18.0 -9.5 109 109 A D S S- 0 0 68 2,-0.1 3,-0.1 0, 0.0 -4,-0.0 0.655 76.9-136.3-121.7 -42.1 24.2 -19.6 -11.9 110 110 A G + 0 0 23 1,-0.2 2,-0.3 -9,-0.1 40,-0.2 0.842 67.0 102.0 83.5 35.8 21.0 -17.6 -11.7 111 111 A Y S S- 0 0 103 38,-0.1 2,-0.8 -7,-0.1 -1,-0.2 -0.980 70.6-123.0-153.0 137.6 18.6 -20.5 -11.6 112 112 A I B +B 148 0B 5 36,-1.9 36,-1.1 -2,-0.3 2,-0.1 -0.719 39.7 176.0 -84.9 109.6 16.5 -22.2 -8.9 113 113 A D > - 0 0 48 -2,-0.8 4,-2.0 34,-0.1 5,-0.2 -0.317 50.0 -81.8-101.2-173.6 17.4 -25.9 -8.8 114 114 A L H > S+ 0 0 83 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.885 132.8 48.0 -57.1 -40.5 16.4 -28.7 -6.5 115 115 A D H 4 S+ 0 0 116 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.826 113.0 48.1 -69.9 -32.3 18.9 -27.6 -4.0 116 116 A E H 4 S+ 0 0 5 2,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.728 109.4 54.6 -79.6 -23.4 17.8 -24.0 -4.2 117 117 A L H >< S+ 0 0 18 -4,-2.0 3,-2.5 1,-0.2 4,-0.3 0.923 98.1 59.4 -75.4 -46.8 14.1 -25.1 -3.9 118 118 A K T >X S+ 0 0 101 -4,-1.9 3,-2.2 1,-0.3 4,-0.6 0.762 84.1 84.9 -53.3 -25.0 14.6 -27.0 -0.6 119 119 A I H >> S+ 0 0 29 -4,-0.5 4,-1.5 1,-0.3 3,-0.9 0.802 75.4 70.7 -47.9 -31.2 15.8 -23.7 0.8 120 120 A M H <> S+ 0 0 75 -3,-2.5 4,-1.2 1,-0.3 5,-0.3 0.877 85.8 65.5 -54.8 -40.0 12.1 -23.0 1.4 121 121 A L H <> S+ 0 0 34 -3,-2.2 4,-2.0 -4,-0.3 3,-0.5 0.881 106.1 42.3 -50.4 -42.3 12.1 -25.6 4.1 122 122 A Q H << S+ 0 0 143 -3,-0.9 -1,-0.3 -4,-0.6 -2,-0.2 0.804 105.1 64.3 -75.5 -30.3 14.4 -23.4 6.1 123 123 A A H < S+ 0 0 63 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.711 118.8 26.5 -65.4 -19.8 12.5 -20.2 5.2 124 124 A T H < S- 0 0 97 -4,-1.2 2,-0.5 -3,-0.5 -2,-0.2 0.611 114.6-115.8-114.2 -24.1 9.6 -21.7 7.1 125 125 A G < - 0 0 36 -4,-2.0 2,-0.3 -5,-0.3 -1,-0.2 -0.899 61.7 -23.2 129.8-105.6 11.5 -23.9 9.6 126 126 A E + 0 0 187 -2,-0.5 2,-0.3 -3,-0.1 -4,-0.1 -0.966 68.8 124.8-152.0 131.1 11.0 -27.7 9.5 127 127 A T + 0 0 75 1,-0.4 5,-0.1 -2,-0.3 -2,-0.1 -0.912 48.5 20.7-178.9 152.4 8.3 -29.9 8.2 128 128 A I S S- 0 0 104 -2,-0.3 -1,-0.4 4,-0.1 2,-0.0 0.333 78.5 -88.6 61.1 159.5 7.6 -32.9 5.9 129 129 A T > - 0 0 106 1,-0.0 3,-2.6 3,-0.0 4,-0.4 -0.139 55.8 -72.3 -89.6-171.5 10.2 -35.3 4.7 130 130 A E T >> S+ 0 0 161 1,-0.3 4,-1.7 2,-0.2 3,-1.6 0.786 123.4 78.5 -53.3 -27.9 12.5 -35.2 1.7 131 131 A D H 3> S+ 0 0 90 1,-0.3 4,-3.2 2,-0.2 -1,-0.3 0.798 84.4 63.0 -51.8 -29.9 9.4 -35.9 -0.3 132 132 A D H <> S+ 0 0 47 -3,-2.6 4,-1.9 1,-0.2 -1,-0.3 0.859 102.8 48.0 -64.7 -36.1 8.6 -32.2 0.1 133 133 A I H <> S+ 0 0 40 -3,-1.6 4,-1.7 -4,-0.4 -2,-0.2 0.900 116.9 41.4 -71.6 -42.2 11.7 -31.2 -1.8 134 134 A E H X S+ 0 0 112 -4,-1.7 4,-1.6 2,-0.2 -2,-0.2 0.920 114.6 51.3 -71.5 -45.4 11.1 -33.7 -4.7 135 135 A E H >X S+ 0 0 116 -4,-3.2 4,-1.5 -5,-0.2 3,-0.5 0.950 109.8 49.4 -56.6 -53.4 7.3 -33.0 -4.8 136 136 A L H >X S+ 0 0 33 -4,-1.9 4,-1.9 1,-0.3 3,-1.1 0.941 109.4 51.0 -51.8 -54.0 7.8 -29.2 -5.0 137 137 A M H 3X S+ 0 0 13 -4,-1.7 4,-1.8 1,-0.3 -1,-0.3 0.811 109.7 52.6 -54.7 -30.8 10.4 -29.5 -7.8 138 138 A K H << S+ 0 0 100 -4,-1.6 -1,-0.3 -3,-0.5 -2,-0.2 0.760 107.9 50.5 -76.8 -25.9 7.8 -31.7 -9.6 139 139 A D H << S+ 0 0 133 -4,-1.5 -2,-0.2 -3,-1.1 -1,-0.2 0.751 120.8 33.9 -82.2 -26.4 5.1 -29.0 -9.2 140 140 A G H < S+ 0 0 17 -4,-1.9 -2,-0.2 -5,-0.2 -3,-0.2 0.651 128.1 30.4-101.0 -20.4 7.4 -26.3 -10.6 141 141 A D S < S+ 0 0 19 -4,-1.8 -3,-0.1 -5,-0.3 7,-0.0 -0.162 71.3 87.7-115.0-150.5 9.3 -28.4 -13.1 142 142 A K + 0 0 145 1,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 0.742 67.6 109.9 61.4 22.6 8.5 -31.5 -15.2 143 143 A N S S- 0 0 84 -3,-0.1 -1,-0.1 0, 0.0 -5,-0.0 -0.155 106.1 -77.5-118.9 36.8 7.2 -29.1 -17.8 144 144 A N S S+ 0 0 169 1,-0.0 -3,-0.0 2,-0.0 0, 0.0 0.970 115.9 84.7 68.0 55.7 10.0 -29.5 -20.4 145 145 A D - 0 0 52 4,-0.0 3,-0.1 3,-0.0 -4,-0.1 0.404 69.2-149.5-147.4 -49.6 12.6 -27.3 -18.7 146 146 A G S S+ 0 0 52 1,-0.2 2,-0.3 -33,-0.0 -5,-0.1 0.286 77.5 43.7 85.5 -11.7 14.5 -29.3 -16.1 147 147 A R S S- 0 0 104 -7,-0.1 2,-0.6 -34,-0.1 -1,-0.2 -0.879 86.0-101.6-150.2-179.8 15.0 -26.1 -14.0 148 148 A I B -B 112 0B 15 -36,-1.1 -36,-1.9 -2,-0.3 -7,-0.1 -0.927 34.7-166.9-118.7 109.2 13.2 -23.0 -12.7 149 149 A D > - 0 0 44 -2,-0.6 4,-2.0 -38,-0.2 5,-0.1 -0.072 37.4 -94.1 -80.0-174.7 13.8 -19.8 -14.5 150 150 A Y H >>S+ 0 0 50 2,-0.2 4,-3.1 1,-0.2 5,-0.6 0.990 124.0 47.3 -66.0 -62.8 13.0 -16.2 -13.4 151 151 A D H >5S+ 0 0 116 1,-0.3 4,-0.8 2,-0.2 -1,-0.2 0.817 118.4 45.6 -48.6 -33.3 9.6 -15.9 -15.1 152 152 A E H >5S+ 0 0 46 2,-0.2 4,-0.6 3,-0.1 -1,-0.3 0.824 117.8 42.7 -80.4 -33.9 8.8 -19.3 -13.7 153 153 A F H >X5S+ 0 0 15 -4,-2.0 4,-1.7 -3,-0.4 3,-1.3 0.970 115.6 44.8 -75.8 -58.5 10.1 -18.5 -10.2 154 154 A L H 3X5S+ 0 0 26 -4,-3.1 4,-1.6 1,-0.3 -3,-0.2 0.827 110.2 58.7 -55.2 -32.8 8.7 -15.0 -9.8 155 155 A E H 3<X S+ 0 0 30 -4,-1.7 3,-1.3 1,-0.3 4,-0.7 0.743 105.4 69.1 -70.6 -23.4 5.7 -16.4 -5.5 158 158 A K T 3< S+ 0 0 132 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.554 104.5 43.3 -71.7 -6.6 3.4 -14.1 -7.4 159 159 A G T <4 S+ 0 0 68 -3,-1.3 -1,-0.3 -4,-0.1 -2,-0.2 0.249 126.4 28.0-121.1 10.1 0.6 -16.5 -6.6 160 160 A V T <4 0 0 102 -3,-1.3 -2,-0.2 -4,-0.0 -3,-0.1 0.115 360.0 360.0-156.4 23.0 1.5 -17.3 -3.0 161 161 A E < 0 0 162 -4,-0.7 -3,-0.2 -5,-0.1 -4,-0.1 0.233 360.0 360.0-166.2 360.0 3.2 -14.1 -1.7