==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER DE NOVO PROTEIN 27-MAR-03 1OVU . COMPND 2 MOLECULE: FOUR-HELIX BUNDLE MODEL DI-CO(II)-DF1-L13A (FORM . SOURCE 2 SYNTHETIC: YES; . AUTHOR L.DI COSTANZO,S.GEREMIA . 192 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14457.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 183 95.3 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 . 0 0.0 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 . 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 . 28 14.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 150 78.1 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+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 0 0 0 0 0 0 0 0 0 0 1 3 2 2 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 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 D > 0 0 131 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -53.4 29.9 8.9 4.8 2 2 A Y H > + 0 0 98 69,-0.5 4,-1.5 1,-0.2 5,-0.1 0.900 360.0 50.5 -46.6 -42.0 33.0 10.4 3.0 3 3 A L H >> S+ 0 0 31 1,-0.3 4,-2.7 2,-0.2 3,-0.6 0.947 107.5 50.1 -67.0 -46.9 32.6 13.3 5.4 4 4 A R H 3> S+ 0 0 142 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.845 106.3 58.6 -57.2 -28.3 32.5 11.1 8.4 5 5 A E H 3X S+ 0 0 104 -4,-2.4 4,-1.5 2,-0.2 -1,-0.2 0.872 106.5 46.3 -70.0 -35.7 35.6 9.4 7.0 6 6 A L H X S+ 0 0 34 -4,-3.4 4,-1.9 1,-0.2 3,-0.6 0.988 103.7 55.8 -58.5 -60.7 45.4 13.0 13.9 14 14 A I H 3X S+ 0 0 10 -4,-2.7 4,-1.4 1,-0.3 -1,-0.2 0.849 107.3 55.7 -47.9 -29.3 44.5 15.4 16.7 15 15 A K H 3X S+ 0 0 136 -4,-1.5 4,-2.9 2,-0.2 5,-0.3 0.958 104.7 48.8 -60.1 -49.8 45.3 12.4 18.9 16 16 A Q H < S+ 0 0 90 -4,-2.9 3,-0.8 1,-0.2 4,-0.4 0.888 110.9 56.4 -62.6 -39.9 50.3 12.9 22.5 20 20 A A H >X S+ 0 0 37 -4,-2.2 4,-2.5 -5,-0.3 3,-1.7 0.950 106.9 48.5 -63.8 -42.4 53.3 14.4 20.9 21 21 A L H 3< S+ 0 0 40 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.740 96.0 73.9 -71.8 -13.7 52.6 17.6 22.8 22 22 A E T << S+ 0 0 155 -4,-0.8 -1,-0.3 -3,-0.8 -2,-0.2 0.552 116.3 19.9 -66.7 -9.0 52.3 15.5 26.0 23 23 A Y T <4 S+ 0 0 178 -3,-1.7 2,-0.4 -4,-0.4 -2,-0.2 0.683 124.8 41.4-128.1 -44.3 56.1 15.1 25.8 24 24 A V < - 0 0 69 -4,-2.5 2,-0.8 2,-0.1 -1,-0.4 -0.919 70.0-142.8-115.0 146.1 57.8 17.8 23.6 25 25 A K + 0 0 183 -2,-0.4 -4,-0.1 -3,-0.1 3,-0.1 -0.544 34.5 159.6-115.0 64.7 56.5 21.3 23.9 26 26 A L > - 0 0 82 -2,-0.8 4,-1.6 1,-0.2 5,-0.2 -0.804 35.0-151.6 -94.6 129.4 56.7 22.7 20.5 27 27 A P H > S+ 0 0 104 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.862 97.0 57.0 -54.9 -42.1 54.7 25.7 19.6 28 28 A V H > S+ 0 0 88 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.934 103.8 52.9 -62.4 -44.9 54.5 24.6 16.0 29 29 A L H > S+ 0 0 29 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.891 110.5 47.7 -49.6 -42.0 53.0 21.3 17.0 30 30 A A H X S+ 0 0 44 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.829 104.3 60.0 -77.1 -30.4 50.3 23.1 19.0 31 31 A K H X S+ 0 0 108 -4,-2.5 4,-1.2 2,-0.2 -1,-0.2 0.909 104.2 52.2 -61.5 -36.7 49.7 25.5 16.1 32 32 A I H >X S+ 0 0 45 -4,-2.0 4,-2.1 1,-0.2 3,-1.3 0.973 101.7 59.9 -63.4 -42.9 48.8 22.5 14.1 33 33 A L H 3X S+ 0 0 22 -4,-2.2 4,-2.5 1,-0.3 5,-0.2 0.881 103.7 50.5 -46.3 -46.6 46.3 21.3 16.7 34 34 A E H 3X S+ 0 0 113 -4,-1.4 4,-1.4 1,-0.3 -1,-0.3 0.767 105.2 57.1 -74.2 -19.9 44.3 24.4 16.5 35 35 A D H X S+ 0 0 53 -4,-2.6 4,-2.2 -5,-0.2 3,-1.3 0.970 104.0 57.1 -45.0 -68.7 38.7 21.9 11.0 40 40 A I H 3X S+ 0 0 17 -4,-4.1 4,-2.1 1,-0.3 5,-0.3 0.810 107.2 51.0 -39.8 -44.3 36.8 19.3 13.2 41 41 A E H 3X S+ 0 0 113 -4,-1.8 4,-2.6 1,-0.2 -1,-0.3 0.920 106.3 52.4 -60.2 -47.6 34.1 21.8 13.8 42 42 A W H < S+ 0 0 88 -4,-2.6 3,-1.1 -5,-0.3 -1,-0.2 0.962 110.1 35.0 -49.9 -62.3 28.8 21.4 11.1 46 46 A I H 3< S+ 0 0 106 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.711 110.1 65.1 -69.5 -21.1 28.2 20.3 7.6 47 47 A L H 3< 0 0 65 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.805 360.0 360.0 -59.1 -33.7 27.6 16.7 8.9 48 48 A G << 0 0 100 -4,-2.1 -3,-0.2 -3,-1.1 -2,-0.1 0.349 360.0 360.0 103.8 360.0 24.7 18.4 10.5 49 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 50 1 B D > 0 0 135 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -40.1 36.6 -14.9 -23.0 51 2 B Y H >> + 0 0 165 1,-0.2 4,-2.3 2,-0.2 3,-0.6 0.944 360.0 52.3 -53.3 -46.4 34.8 -12.1 -24.7 52 3 B L H 3> S+ 0 0 33 1,-0.3 4,-2.4 2,-0.2 -1,-0.2 0.863 109.9 47.5 -62.1 -34.8 31.8 -12.7 -22.5 53 4 B R H 3> S+ 0 0 144 1,-0.2 4,-3.2 2,-0.2 -1,-0.3 0.735 108.2 56.9 -76.4 -21.0 33.9 -12.5 -19.4 54 5 B E H X S+ 0 0 128 -4,-3.9 3,-1.2 -5,-0.3 4,-1.0 0.989 113.7 45.5 -43.3 -65.9 29.1 3.3 -6.9 68 19 B E H >< S+ 0 0 102 -4,-3.7 3,-0.7 1,-0.3 4,-0.3 0.847 110.8 53.5 -48.5 -34.3 32.2 5.4 -6.2 69 20 B A H >X S+ 0 0 36 -4,-2.6 3,-1.0 1,-0.2 4,-0.7 0.896 106.0 55.2 -67.3 -34.7 30.6 8.4 -8.0 70 21 B L H << S+ 0 0 40 -4,-2.8 -1,-0.2 -3,-1.2 -2,-0.2 0.631 91.8 67.8 -76.8 -15.9 27.5 8.1 -5.9 71 22 B E T << S+ 0 0 119 -4,-1.0 -69,-0.5 -3,-0.7 -1,-0.2 0.522 116.0 27.0 -86.7 0.3 29.2 8.3 -2.5 72 23 B Y T <4 S+ 0 0 131 -3,-1.0 -2,-0.1 1,-0.6 -3,-0.1 0.519 129.9 25.7-113.1 -88.8 30.1 11.9 -3.1 73 24 B V < - 0 0 72 -4,-0.7 -1,-0.6 1,-0.1 0, 0.0 -0.408 60.4-162.5 -71.0 150.7 27.6 13.4 -5.6 74 25 B K + 0 0 166 -3,-0.1 -1,-0.1 -2,-0.1 -4,-0.1 -0.218 22.5 165.1-129.9 36.4 24.1 11.9 -5.7 75 26 B L > - 0 0 102 -6,-0.2 3,-2.1 1,-0.1 4,-0.5 -0.475 40.1-130.3 -53.5 113.4 23.1 13.4 -8.9 76 27 B P T >> S+ 0 0 92 0, 0.0 3,-2.6 0, 0.0 4,-1.0 0.724 96.7 61.8 -39.8 -55.7 20.0 11.1 -9.6 77 28 B V H 3> S+ 0 0 78 1,-0.3 4,-2.0 2,-0.2 -2,-0.1 0.730 94.9 64.1 -51.9 -28.3 20.6 9.9 -13.1 78 29 B L H <> S+ 0 0 29 -3,-2.1 4,-1.9 1,-0.2 -1,-0.3 0.854 101.8 53.1 -64.9 -33.5 23.7 8.2 -12.0 79 30 B A H <> S+ 0 0 52 -3,-2.6 4,-1.3 -4,-0.5 -2,-0.2 0.755 101.5 54.9 -73.4 -27.6 21.4 6.1 -9.9 80 31 B K H X S+ 0 0 147 -4,-1.0 4,-2.5 2,-0.1 -1,-0.2 0.934 109.3 54.8 -63.0 -35.7 19.3 5.2 -12.8 81 32 B I H X S+ 0 0 39 -4,-2.0 4,-4.2 2,-0.2 -2,-0.2 0.930 101.1 51.1 -59.8 -57.7 22.7 4.0 -14.2 82 33 B L H X S+ 0 0 27 -4,-1.9 4,-3.8 2,-0.3 5,-0.3 0.949 110.1 53.8 -41.3 -57.7 23.7 1.7 -11.3 83 34 B E H X S+ 0 0 127 -4,-1.3 4,-2.9 1,-0.3 5,-0.2 0.969 109.5 48.4 -43.8 -64.9 20.3 0.1 -11.8 84 35 B D H X S+ 0 0 76 -4,-2.5 4,-2.6 1,-0.2 -1,-0.3 0.936 114.1 45.3 -36.3 -59.9 21.1 -0.3 -15.4 85 36 B E H X S+ 0 0 28 -4,-4.2 4,-2.9 1,-0.2 -1,-0.2 0.914 109.4 52.3 -69.0 -32.2 24.4 -1.8 -14.6 86 37 B E H X S+ 0 0 92 -4,-3.8 4,-2.1 2,-0.2 5,-0.3 0.955 109.3 53.6 -60.7 -44.5 23.3 -4.2 -11.9 87 38 B K H >X S+ 0 0 121 -4,-2.9 4,-2.0 -5,-0.3 3,-0.8 0.975 110.1 46.3 -51.4 -62.6 20.8 -5.4 -14.4 88 39 B H H 3X S+ 0 0 48 -4,-2.6 4,-2.8 1,-0.3 5,-0.3 0.873 107.1 57.0 -49.6 -45.1 23.4 -6.0 -16.9 89 40 B I H 3X S+ 0 0 15 -4,-2.9 4,-1.7 -5,-0.2 -1,-0.3 0.953 106.7 49.0 -55.2 -42.6 25.8 -7.8 -14.6 90 41 B E H > 0 0 148 0, 0.0 4,-2.0 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 -50.9 46.2 32.5 2.2 100 2 C Y H 3> + 0 0 78 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.867 360.0 56.0 -63.5 -34.2 49.3 32.9 -0.0 101 3 C L H 3> S+ 0 0 21 1,-0.2 4,-1.9 2,-0.2 -1,-0.3 0.848 108.2 48.4 -65.6 -23.4 48.3 36.4 -1.2 102 4 C R H <> S+ 0 0 138 -3,-1.0 4,-2.3 2,-0.2 5,-0.2 0.891 109.1 51.3 -83.6 -39.0 48.1 37.6 2.4 103 5 C E H >X S+ 0 0 80 -4,-2.0 4,-2.0 1,-0.2 3,-0.6 0.991 110.9 52.0 -59.3 -52.6 51.4 36.1 3.3 104 6 C L H 3X S+ 0 0 5 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.890 109.0 48.0 -46.8 -47.1 52.7 38.0 0.2 105 7 C L H 3X S+ 0 0 22 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.862 106.3 57.2 -65.2 -34.0 51.2 41.3 1.3 106 8 C K H X S+ 0 0 71 -4,-1.3 4,-1.5 1,-0.2 3,-0.6 0.834 110.4 51.4 -80.3 -29.5 63.9 53.6 6.9 118 20 C A H 3X S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.3 -2,-0.2 0.828 105.4 56.1 -80.6 -27.4 66.9 52.8 4.8 119 21 C L H 3< S+ 0 0 48 -4,-2.1 -1,-0.3 1,-0.2 -2,-0.2 0.532 103.5 56.0 -87.9 -2.8 66.3 55.9 2.7 120 22 C E H <4 S+ 0 0 163 -3,-0.6 -1,-0.2 -4,-0.2 -2,-0.2 0.786 108.2 49.1 -75.9 -43.7 66.4 57.8 5.9 121 23 C Y H < S+ 0 0 157 -4,-1.5 2,-0.3 1,-0.2 -2,-0.2 0.762 122.6 15.4 -68.7 -23.7 69.8 56.4 6.6 122 24 C V < - 0 0 28 -4,-1.2 2,-0.4 2,-0.1 -1,-0.2 -0.899 69.3-123.4-159.7 119.0 71.4 57.1 3.3 123 25 C K + 0 0 197 -2,-0.3 -3,-0.1 -3,-0.1 -4,-0.1 -0.515 50.7 144.9 -69.4 123.7 70.8 59.1 0.2 124 26 C L >> - 0 0 46 -2,-0.4 3,-2.8 -5,-0.1 4,-0.6 -0.489 35.3-159.2-163.6 81.4 70.7 56.6 -2.5 125 27 C P H 3> S+ 0 0 97 0, 0.0 4,-1.8 0, 0.0 5,-0.2 0.667 90.2 62.5 -36.0 -37.8 68.3 57.3 -5.3 126 28 C V H 3> S+ 0 0 48 1,-0.3 4,-1.8 2,-0.2 3,-0.3 0.944 98.6 60.4 -69.3 -30.4 68.0 53.8 -6.6 127 29 C L H X> S+ 0 0 0 -3,-2.8 4,-1.7 1,-0.2 3,-0.6 0.938 103.2 50.0 -50.5 -48.6 66.6 53.1 -3.2 128 30 C A H 3X S+ 0 0 47 -4,-0.6 4,-1.9 1,-0.3 -1,-0.2 0.830 105.6 56.6 -61.7 -33.2 63.8 55.5 -3.9 129 31 C K H 3X S+ 0 0 138 -4,-1.8 4,-2.0 -3,-0.3 -1,-0.3 0.821 105.6 50.8 -67.0 -30.3 63.1 53.9 -7.2 130 32 C I H X S+ 0 0 136 -4,-1.9 4,-1.9 2,-0.2 3,-0.6 0.965 112.0 47.1 -54.0 -58.9 58.2 53.4 -6.0 133 35 C D H 3X S+ 0 0 38 -4,-2.0 4,-2.0 1,-0.3 -2,-0.2 0.874 112.8 49.3 -52.6 -40.5 58.1 49.9 -7.4 134 36 C E H 3X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.3 0.769 102.5 60.3 -78.5 -21.2 57.2 48.6 -4.0 135 37 C E H X S+ 0 0 105 -4,-1.9 3,-1.7 1,-0.2 4,-1.4 0.981 106.2 54.1 -50.4 -74.2 53.0 49.5 -6.9 137 39 C H H 3X S+ 0 0 0 -4,-2.0 4,-1.8 1,-0.3 5,-0.3 0.803 104.6 56.0 -27.9 -48.9 53.2 46.0 -5.7 138 40 C I H 3X S+ 0 0 15 -4,-1.6 4,-1.7 1,-0.2 -1,-0.3 0.883 107.3 49.6 -68.8 -33.0 51.3 46.9 -2.5 139 41 C E H 0 0 147 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.000 360.0 360.0 360.0 -31.2 73.2 46.0 7.6 149 2 D Y H > + 0 0 78 1,-0.2 4,-2.5 2,-0.2 -31,-0.1 0.957 360.0 50.0 -67.2 -39.8 70.0 47.8 6.7 150 3 D L H > S+ 0 0 19 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.703 111.7 50.4 -64.8 -19.2 71.0 47.2 3.0 151 4 D R H > S+ 0 0 148 2,-0.3 4,-3.1 -3,-0.2 -2,-0.2 0.877 106.8 48.4 -88.3 -42.7 71.5 43.5 3.9 152 5 D E H X S+ 0 0 78 -4,-2.8 4,-2.4 2,-0.2 5,-0.4 0.971 112.7 55.8 -56.3 -40.5 68.3 42.9 5.7 153 6 D L H X S+ 0 0 2 -4,-2.5 4,-2.1 -5,-0.3 3,-0.3 0.972 107.4 44.9 -55.8 -53.0 67.1 44.6 2.6 154 7 D L H X S+ 0 0 31 -4,-2.1 4,-0.8 1,-0.2 -1,-0.3 0.917 112.4 55.1 -54.7 -39.0 68.8 42.0 0.5 155 8 D K H X S+ 0 0 90 -4,-3.1 4,-1.0 1,-0.3 3,-0.4 0.841 108.1 43.2 -68.3 -45.2 67.6 39.2 2.7 156 9 D L H X S+ 0 0 13 -4,-2.4 4,-2.2 -3,-0.3 5,-0.3 0.834 103.4 66.4 -67.9 -33.7 63.8 39.9 2.6 157 10 D E H X S+ 0 0 4 -4,-2.1 4,-2.1 -5,-0.4 -1,-0.2 0.861 101.2 52.8 -59.7 -20.3 63.9 40.5 -1.1 158 11 D L H X S+ 0 0 84 -4,-0.8 4,-3.2 -3,-0.4 -1,-0.2 0.921 107.5 45.8 -82.0 -38.0 64.8 36.9 -1.3 159 12 D Q H X S+ 0 0 90 -4,-1.0 4,-2.9 2,-0.2 5,-0.2 0.908 113.8 52.0 -66.7 -37.2 61.9 35.4 0.7 160 13 D A H X S+ 0 0 7 -4,-2.2 4,-2.7 1,-0.2 5,-0.3 0.993 112.0 44.6 -64.0 -55.1 59.6 37.6 -1.1 161 14 D I H X S+ 0 0 3 -4,-2.1 4,-3.5 -5,-0.3 5,-0.3 0.929 110.7 53.3 -53.0 -50.0 61.0 36.3 -4.4 162 15 D K H X S+ 0 0 137 -4,-3.2 4,-2.1 1,-0.2 -1,-0.2 0.935 113.1 45.1 -52.9 -48.1 61.0 32.7 -3.3 163 16 D Q H X S+ 0 0 34 -4,-2.9 4,-2.6 2,-0.2 5,-0.4 0.967 112.8 48.7 -55.8 -55.5 57.3 33.0 -2.4 164 17 D Y H X S+ 0 0 0 -4,-2.7 4,-3.5 1,-0.3 -1,-0.2 0.873 109.0 54.0 -57.9 -42.3 56.4 34.9 -5.5 165 18 D R H X S+ 0 0 140 -4,-3.5 4,-1.6 -5,-0.3 -1,-0.3 0.920 111.9 47.4 -56.4 -41.1 58.2 32.2 -7.4 166 19 D E H >X S+ 0 0 98 -4,-2.1 4,-0.9 -3,-0.4 3,-0.6 0.982 117.4 37.0 -67.5 -58.7 56.0 29.8 -5.5 167 20 D A H >X S+ 0 0 10 -4,-2.6 4,-2.3 1,-0.2 3,-1.6 0.927 113.4 62.5 -49.6 -42.5 52.6 31.5 -6.1 168 21 D L H 3< S+ 0 0 47 -4,-3.5 -1,-0.2 -5,-0.4 -2,-0.2 0.824 106.3 42.5 -59.1 -39.0 53.9 32.4 -9.5 169 22 D E H << S+ 0 0 153 -4,-1.6 -1,-0.3 -3,-0.6 3,-0.2 0.523 118.8 43.1 -82.0 -17.7 54.2 28.7 -10.5 170 23 D Y H << S+ 0 0 193 -3,-1.6 2,-0.8 -4,-0.9 -2,-0.2 0.841 119.2 32.0-103.2 -47.7 51.0 27.5 -9.0 171 24 D V S < S- 0 0 36 -4,-2.3 2,-3.8 -5,-0.2 -1,-0.3 -0.939 85.5-142.6-111.5 93.3 48.3 30.0 -9.8 172 25 D K + 0 0 175 -2,-0.8 -4,-0.1 -3,-0.2 -3,-0.1 -0.031 42.4 159.1 -65.0 53.0 49.7 31.0 -13.1 173 26 D L >> - 0 0 59 -2,-3.8 3,-0.7 -6,-0.2 4,-0.6 -0.609 36.5-145.7 -75.8 108.5 48.6 34.8 -12.4 174 27 D P H >> S+ 0 0 103 0, 0.0 4,-2.4 0, 0.0 3,-1.9 0.854 96.3 59.3 -36.0 -61.8 50.4 37.7 -14.4 175 28 D V H 3> S+ 0 0 39 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.836 106.0 59.2 -42.2 -33.9 50.5 40.6 -11.8 176 29 D L H <> S+ 0 0 0 -3,-0.7 4,-1.0 1,-0.2 -1,-0.3 0.916 104.2 44.9 -60.2 -42.1 52.4 37.8 -10.1 177 30 D A H X S+ 0 0 104 -4,-2.4 3,-2.1 2,-0.2 4,-1.5 0.993 105.9 51.0 -66.8 -58.5 55.4 41.3 -13.0 179 32 D I H 3X S+ 0 0 0 -4,-2.1 4,-1.0 1,-0.3 -1,-0.2 0.819 108.5 59.9 -48.4 -24.7 55.9 42.0 -9.3 180 33 D L H 3X S+ 0 0 13 -4,-1.0 4,-1.8 1,-0.3 -1,-0.3 0.821 100.8 50.1 -78.0 -35.8 58.5 39.3 -9.5 181 34 D E H X S+ 0 0 116 -4,-1.8 4,-2.4 2,-0.2 3,-2.2 0.984 106.6 49.2 -78.9 -71.0 65.7 43.7 -10.4 186 39 D H H 3X S+ 0 0 0 -4,-3.2 4,-4.1 1,-0.3 5,-0.3 0.848 110.1 56.2 -25.8 -62.6 66.0 45.4 -7.0 187 40 D I H 3X S+ 0 0 21 -4,-2.3 4,-2.4 1,-0.3 -1,-0.3 0.796 105.9 49.5 -48.1 -37.8 68.1 42.3 -5.9 188 41 D E H < S+ 0 0 103 -4,-1.9 3,-0.5 1,-0.2 -1,-0.2 0.866 107.3 50.2 -70.1 -43.4 75.7 46.1 -6.4 193 46 D I H 3< S+ 0 0 62 -4,-1.6 -1,-0.2 -3,-0.3 -2,-0.2 0.856 118.6 44.8 -49.9 -35.0 75.6 48.5 -3.5 194 47 D L H 3< 0 0 46 -4,-1.5 -2,-0.2 -5,-0.3 -1,-0.2 0.549 360.0 360.0 -96.5 -11.5 76.5 45.6 -1.4 195 48 D G << 0 0 103 -4,-0.7 -3,-0.2 -3,-0.5 -2,-0.2 0.573 360.0 360.0-152.4 360.0 79.2 44.0 -3.5