==== 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 TRANSCRIPTION 13-DEC-06 2O94 . COMPND 2 MOLECULE: HISTONE DEACETYLASE 4; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.GUO,A.HAN,D.L.BATES,L.CHEN . 272 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17905.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 98.5 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 . 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 14.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 229 84.2 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 0 0 0 0 0 0 0 0 0 0 0 4 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 62 A A 0 0 116 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.8 -28.9 12.6 12.7 2 63 A E >> + 0 0 123 3,-0.0 4,-2.8 0, 0.0 3,-1.2 0.353 360.0 32.5-142.7 -69.3 -29.0 11.5 9.1 3 64 A P H 3> S+ 0 0 54 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.967 119.5 54.0 -62.8 -46.4 -29.7 7.9 8.3 4 65 A A H 3> S+ 0 0 50 1,-0.2 4,-0.5 2,-0.2 195,-0.0 0.506 111.8 50.0 -62.4 -1.9 -32.0 7.6 11.3 5 66 A L H <> S+ 0 0 94 -3,-1.2 4,-2.1 2,-0.2 -1,-0.2 0.794 106.0 49.5-100.5 -49.4 -33.6 10.6 9.6 6 67 A R H X S+ 0 0 117 -4,-2.8 4,-1.7 1,-0.3 -2,-0.2 0.816 110.5 56.8 -58.8 -27.3 -33.8 9.1 6.1 7 68 A E H X S+ 0 0 56 -4,-2.7 4,-2.4 -5,-0.3 -1,-0.3 0.961 104.3 49.0 -66.8 -51.2 -35.4 6.3 8.1 8 69 A Q H X S+ 0 0 98 -4,-0.5 4,-1.4 2,-0.2 -2,-0.2 0.800 105.4 61.1 -60.2 -29.6 -38.0 8.6 9.5 9 70 A Q H >X S+ 0 0 95 -4,-2.1 4,-2.3 2,-0.2 3,-1.4 0.995 109.1 38.4 -58.4 -69.1 -38.7 9.8 6.0 10 71 A L H 3X S+ 0 0 15 -4,-1.7 4,-2.7 1,-0.3 5,-0.3 0.898 110.5 59.1 -46.5 -54.0 -39.8 6.4 4.7 11 72 A Q H 3X S+ 0 0 97 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.874 114.0 41.3 -45.3 -36.7 -41.6 5.5 7.9 12 73 A Q H X S+ 0 0 83 -4,-2.3 4,-2.5 1,-0.2 3,-0.9 0.900 107.9 54.7 -53.7 -43.5 -44.1 8.3 3.4 14 75 A L H 3X S+ 0 0 27 -4,-2.7 4,-2.3 1,-0.3 3,-0.4 0.976 104.3 50.8 -53.2 -63.0 -45.5 4.8 4.0 15 76 A L H 3X S+ 0 0 120 -4,-1.3 4,-1.0 -5,-0.3 -1,-0.3 0.631 111.5 52.9 -52.8 -12.2 -48.2 6.1 6.4 16 77 A A H X S+ 0 0 106 -4,-3.0 3,-2.9 2,-0.2 4,-2.2 0.991 115.7 41.0 -54.7 -72.9 -53.9 8.1 0.1 21 82 A Q H 3X S+ 0 0 4 -4,-2.1 4,-2.8 1,-0.3 5,-0.3 0.806 106.7 62.6 -42.7 -45.5 -54.9 4.6 -1.2 22 83 A Q H 3X S+ 0 0 34 -4,-3.0 4,-0.6 -5,-0.3 -1,-0.3 0.812 112.8 38.9 -56.6 -27.3 -57.4 4.1 1.6 23 84 A I H XX S+ 0 0 84 -3,-2.9 4,-1.9 -4,-1.0 3,-1.3 0.924 108.5 57.6 -87.2 -53.4 -59.1 7.1 -0.0 24 85 A Q H >X S+ 0 0 56 -4,-2.2 4,-3.0 1,-0.3 3,-0.8 0.908 105.9 54.4 -40.9 -49.0 -58.6 6.3 -3.7 25 86 A R H 3X S+ 0 0 15 -4,-2.8 4,-2.3 1,-0.3 -1,-0.3 0.867 106.0 52.0 -53.5 -39.2 -60.4 3.0 -2.9 26 87 A Q H X S+ 0 0 62 -4,-3.4 4,-1.8 1,-0.2 3,-0.9 0.933 109.5 42.7 -41.4 -57.6 -72.0 3.4 -6.5 34 95 A R H 3X S+ 0 0 147 -4,-2.6 4,-2.7 1,-0.3 3,-0.4 0.958 110.6 51.3 -57.5 -57.4 -73.1 6.3 -8.8 35 96 A Q H 3X S+ 0 0 38 -4,-2.4 4,-1.3 1,-0.2 -1,-0.3 0.701 112.4 55.7 -56.1 -11.1 -72.8 4.4 -12.1 36 97 A F H X S+ 0 0 129 -4,-2.4 4,-0.9 -3,-0.5 3,-0.6 0.934 114.9 38.1 -66.4 -45.2 -97.2 2.8 -18.8 53 114 A Q H 3X S+ 0 0 74 -4,-2.4 4,-1.9 -3,-0.3 -2,-0.2 0.801 105.9 63.5 -77.0 -30.8 -97.7 1.9 -22.5 54 115 A Q H 3X S+ 0 0 22 -4,-2.8 4,-1.0 -5,-0.3 -1,-0.2 0.550 99.1 64.2 -70.3 -3.0 -98.9 -1.7 -22.0 55 116 A Q H <> S+ 0 0 84 -3,-0.6 4,-1.9 -5,-0.3 -2,-0.2 0.962 101.6 42.3 -79.1 -62.2 -101.7 0.2 -20.2 56 117 A E H X S+ 0 0 96 -4,-0.9 4,-3.7 2,-0.2 5,-0.4 0.864 111.2 58.5 -52.1 -44.6 -103.1 2.0 -23.3 57 118 A M H X S+ 0 0 25 -4,-1.9 4,-2.7 1,-0.3 5,-0.3 0.978 114.5 33.8 -50.5 -74.1 -102.7 -1.1 -25.4 58 119 A L H < S+ 0 0 25 -4,-1.0 -1,-0.3 2,-0.2 -2,-0.2 0.751 120.3 58.2 -54.9 -21.8 -105.0 -3.3 -23.2 59 120 A A H >X S+ 0 0 20 -4,-1.9 4,-3.2 2,-0.2 3,-2.5 0.992 112.3 33.4 -67.7 -72.6 -106.8 -0.1 -22.6 60 121 A M H 3X S+ 0 0 97 -4,-3.7 4,-0.9 1,-0.3 5,-0.4 0.682 107.7 68.8 -57.7 -23.9 -107.7 0.8 -26.2 61 122 A K H 3< S+ 0 0 59 -4,-2.7 -1,-0.3 -5,-0.4 -2,-0.2 0.641 125.2 12.6 -71.8 -11.0 -108.1 -2.9 -27.2 62 123 A H H <4 S+ 0 0 21 -3,-2.5 -2,-0.3 -5,-0.3 -1,-0.2 0.506 122.9 60.8-136.7 -17.1 -111.1 -2.8 -25.0 63 124 A Q H < S+ 0 0 93 -4,-3.2 -3,-0.2 -7,-0.2 4,-0.2 0.848 121.5 28.8 -80.2 -36.8 -111.9 0.9 -24.2 64 125 A Q S >< S+ 0 0 91 -4,-0.9 3,-0.8 -5,-0.3 4,-0.4 0.654 112.6 67.4 -92.3 -23.2 -112.4 1.6 -27.9 65 126 A E T 3 S+ 0 0 56 -5,-0.4 -1,-0.2 1,-0.2 -2,-0.2 0.419 87.9 69.6 -77.1 1.9 -113.5 -2.0 -28.5 66 127 A L T 3 S+ 0 0 92 -3,-0.2 -1,-0.2 1,-0.2 -2,-0.2 0.799 99.0 46.5 -85.2 -33.4 -116.5 -1.1 -26.4 67 128 A L < 0 0 148 -3,-0.8 -2,-0.2 -4,-0.2 -1,-0.2 0.581 360.0 360.0 -80.4 -11.4 -117.7 1.1 -29.3 68 129 A E 0 0 151 -4,-0.4 -3,-0.0 -6,-0.1 -6,-0.0 -0.335 360.0 360.0 -99.3 360.0 -116.9 -1.9 -31.5 69 !* 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 70 62 B A 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-170.5 -24.8 -19.5 1.6 71 63 B E >> + 0 0 119 197,-0.0 4,-3.2 3,-0.0 3,-1.4 0.229 360.0 42.4-153.7 -66.3 -27.4 -18.2 4.0 72 64 B P H 3> S+ 0 0 54 0, 0.0 4,-3.3 0, 0.0 5,-0.3 0.974 114.9 54.4 -57.8 -48.5 -28.4 -14.5 3.9 73 65 B A H 3> S+ 0 0 53 1,-0.2 4,-0.9 2,-0.2 195,-0.0 0.633 113.0 47.5 -56.8 -11.8 -28.4 -14.8 0.1 74 66 B L H <> S+ 0 0 93 -3,-1.4 4,-2.2 2,-0.2 -1,-0.2 0.852 109.4 47.3 -94.4 -49.3 -30.8 -17.6 0.9 75 67 B R H X S+ 0 0 137 -4,-3.2 4,-1.7 2,-0.2 -2,-0.2 0.821 113.2 53.6 -60.1 -30.2 -33.0 -15.8 3.4 76 68 B E H X S+ 0 0 58 -4,-3.3 4,-2.6 -5,-0.3 5,-0.2 0.986 108.4 47.3 -64.9 -58.4 -33.1 -13.1 0.8 77 69 B Q H X S+ 0 0 95 -4,-0.9 4,-1.7 -5,-0.3 5,-0.3 0.782 105.4 62.4 -53.9 -31.4 -34.2 -15.5 -1.8 78 70 B Q H X S+ 0 0 101 -4,-2.2 4,-3.2 2,-0.2 3,-0.4 0.993 111.3 35.5 -57.9 -62.8 -36.9 -16.8 0.6 79 71 B L H X S+ 0 0 14 -4,-1.7 4,-4.0 2,-0.3 5,-0.4 0.905 110.3 60.5 -56.5 -52.4 -38.6 -13.4 0.8 80 72 B Q H X S+ 0 0 114 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.894 118.1 33.9 -45.3 -41.2 -38.1 -12.4 -2.8 81 73 B Q H X S+ 0 0 117 -4,-1.7 4,-0.5 -3,-0.4 -2,-0.3 0.882 114.9 57.8 -81.9 -39.5 -40.1 -15.5 -3.6 82 74 B E H X S+ 0 0 92 -4,-3.2 4,-1.1 -5,-0.3 3,-0.4 0.912 110.9 44.0 -53.8 -47.1 -42.3 -15.2 -0.6 83 75 B L H >X S+ 0 0 24 -4,-4.0 4,-1.8 2,-0.2 3,-1.6 0.972 107.8 54.6 -61.8 -60.3 -43.4 -11.8 -1.7 84 76 B L H 3X S+ 0 0 121 -4,-1.6 4,-0.7 -5,-0.4 -1,-0.2 0.605 110.2 53.1 -53.5 -8.2 -43.9 -12.7 -5.4 85 77 B A H 3X S+ 0 0 53 -4,-0.5 4,-2.0 -3,-0.4 -1,-0.3 0.762 100.5 57.9 -95.9 -33.0 -46.1 -15.3 -3.8 86 78 B L H X S+ 0 0 114 -4,-2.0 4,-3.3 2,-0.2 3,-1.3 0.973 117.5 41.3 -51.6 -66.3 -52.6 -14.9 -3.7 90 82 B Q H 3X S+ 0 0 3 -4,-2.2 4,-2.8 1,-0.3 5,-0.3 0.879 109.0 59.2 -49.2 -51.4 -54.0 -11.4 -3.4 91 83 B Q H 3X S+ 0 0 25 -4,-3.8 4,-0.6 1,-0.2 -1,-0.3 0.792 115.4 36.8 -53.7 -30.8 -54.3 -11.0 -7.2 92 84 B I H XX S+ 0 0 91 -4,-1.5 4,-1.8 -3,-1.3 3,-0.8 0.900 109.6 59.8 -87.3 -47.9 -56.7 -14.0 -7.2 93 85 B Q H >X S+ 0 0 49 -4,-3.3 4,-2.5 1,-0.3 3,-0.6 0.909 104.2 53.7 -43.9 -47.9 -58.4 -13.3 -3.9 94 86 B R H 3X S+ 0 0 17 -4,-2.8 4,-2.5 1,-0.3 -1,-0.3 0.886 104.8 54.5 -54.7 -42.0 -59.5 -9.9 -5.4 95 87 B Q H X S+ 0 0 64 -4,-3.7 4,-2.0 1,-0.2 3,-1.0 0.924 109.0 42.8 -40.8 -59.3 -70.9 -10.3 -9.7 103 95 B R H 3X S+ 0 0 148 -4,-2.6 4,-2.6 1,-0.3 5,-0.2 0.946 110.8 51.5 -56.8 -54.7 -73.2 -13.2 -8.5 104 96 B Q H 3X S+ 0 0 43 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.710 112.4 55.4 -57.8 -12.4 -75.0 -11.3 -5.7 105 97 B F H X S+ 0 0 13 -4,-2.7 4,-2.2 1,-0.2 3,-1.4 0.920 107.9 50.1 -55.2 -44.9 -96.5 -6.5 -11.4 120 112 B I H 3X S+ 0 0 10 -4,-1.0 4,-0.6 1,-0.3 -2,-0.2 0.900 103.9 56.4 -61.9 -41.7 -97.0 -6.3 -15.2 121 113 B K H 3< S+ 0 0 132 -4,-2.4 4,-0.5 1,-0.2 -1,-0.3 0.475 117.9 37.6 -69.8 1.1 -98.7 -9.8 -15.3 122 114 B Q H <> S+ 0 0 76 -3,-1.4 4,-1.8 -4,-0.3 -2,-0.2 0.592 103.4 61.4-124.0 -26.2 -101.2 -8.4 -12.8 123 115 B Q H X S+ 0 0 26 -4,-2.2 4,-1.0 -5,-0.2 -2,-0.2 0.581 107.8 57.5 -76.5 -5.4 -101.7 -4.8 -13.8 124 116 B Q H X S+ 0 0 79 -4,-0.6 4,-3.2 -5,-0.3 -2,-0.2 0.952 103.2 45.6 -81.0 -66.1 -102.9 -6.7 -16.8 125 117 B E H > S+ 0 0 107 -4,-0.5 4,-2.7 2,-0.2 5,-0.5 0.806 111.9 54.5 -47.3 -39.4 -105.6 -8.8 -15.2 126 118 B M H X S+ 0 0 29 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.999 116.6 34.6 -59.7 -67.9 -106.9 -5.8 -13.3 127 119 B L H X S+ 0 0 25 -4,-1.0 4,-1.5 2,-0.2 5,-0.3 0.815 122.6 56.7 -54.6 -27.7 -107.4 -3.7 -16.4 128 120 B A H >X S+ 0 0 17 -4,-3.2 4,-3.3 2,-0.2 3,-1.2 0.970 111.8 32.1 -64.5 -86.4 -108.3 -7.0 -17.9 129 121 B M H 3X S+ 0 0 109 -4,-2.7 4,-1.0 1,-0.3 -2,-0.2 0.708 113.1 69.1 -45.7 -24.9 -111.1 -8.3 -15.8 130 122 B K H 3< S+ 0 0 71 -4,-2.7 -1,-0.3 -5,-0.5 -2,-0.2 0.972 120.3 12.3 -60.9 -55.4 -112.1 -4.7 -15.3 131 123 B H H << S+ 0 0 38 -4,-1.5 -2,-0.2 -3,-1.2 -1,-0.2 0.667 120.6 65.8 -98.1 -19.1 -113.3 -4.2 -18.9 132 124 B Q H < S+ 0 0 115 -4,-3.3 3,-0.3 -5,-0.3 -3,-0.2 0.847 115.0 35.2 -68.5 -32.1 -113.3 -7.9 -20.1 133 125 B Q S >< S+ 0 0 79 -4,-1.0 3,-0.8 -5,-0.4 4,-0.5 0.471 99.1 83.2 -95.3 -7.5 -116.1 -8.3 -17.6 134 126 B E T 3 S+ 0 0 70 1,-0.2 -1,-0.2 2,-0.2 -2,-0.2 0.270 80.8 67.4 -79.8 12.1 -117.3 -4.8 -18.4 135 127 B L T 3 S+ 0 0 95 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.731 101.1 43.3 -97.6 -34.6 -119.1 -6.4 -21.4 136 128 B L < 0 0 152 -3,-0.8 -2,-0.2 -4,-0.1 -3,-0.1 0.524 360.0 360.0 -85.6 -7.7 -121.5 -8.4 -19.1 137 129 B E 0 0 138 -4,-0.5 -2,-0.2 -6,-0.1 -3,-0.2 0.761 360.0 360.0-111.9 360.0 -121.8 -5.1 -17.1 138 !* 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 0.0 139 62 C A 0 0 119 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 160.8 -105.5 -9.3 -36.6 140 63 C E >> + 0 0 109 3,-0.0 4,-2.5 0, 0.0 3,-0.5 0.393 360.0 31.1-139.4 -68.8 -104.8 -5.9 -35.2 141 64 C P H 3> S+ 0 0 56 0, 0.0 4,-2.9 0, 0.0 3,-0.3 0.990 121.3 49.4 -62.8 -57.7 -105.0 -5.6 -31.4 142 65 C A H 3> S+ 0 0 54 1,-0.3 4,-0.9 2,-0.2 -81,-0.0 0.607 113.4 52.3 -55.2 -9.3 -103.9 -9.1 -30.6 143 66 C L H <> S+ 0 0 103 -3,-0.5 4,-1.2 2,-0.2 -1,-0.3 0.840 106.5 48.6 -91.8 -44.0 -101.1 -8.2 -33.0 144 67 C R H X S+ 0 0 125 -4,-2.5 4,-1.6 -3,-0.3 -2,-0.2 0.819 108.6 58.1 -62.7 -30.5 -100.3 -5.0 -31.1 145 68 C E H X S+ 0 0 62 -4,-2.9 4,-2.0 1,-0.2 5,-0.3 0.960 103.2 49.6 -62.8 -53.1 -100.2 -7.3 -28.0 146 69 C Q H X S+ 0 0 99 -4,-0.9 4,-1.0 1,-0.2 -1,-0.2 0.776 103.0 65.1 -58.9 -25.2 -97.6 -9.5 -29.6 147 70 C Q H >X S+ 0 0 88 -4,-1.2 4,-2.1 2,-0.2 3,-0.7 0.992 106.6 39.2 -60.7 -57.7 -95.7 -6.3 -30.2 148 71 C L H 3X S+ 0 0 16 -4,-1.6 4,-2.8 1,-0.3 5,-0.3 0.938 108.6 58.3 -55.1 -59.4 -95.2 -5.5 -26.5 149 72 C Q H 3X S+ 0 0 106 -4,-2.0 4,-1.3 1,-0.3 -1,-0.3 0.796 114.2 42.4 -44.6 -29.0 -94.6 -9.1 -25.3 150 73 C Q H X S+ 0 0 83 -4,-2.1 3,-1.3 2,-0.2 4,-0.9 0.982 112.3 46.0 -56.3 -58.7 -90.6 -5.4 -26.8 152 75 C L H >X S+ 0 0 27 -4,-2.8 3,-3.7 1,-0.3 4,-1.6 0.949 109.5 50.7 -45.5 -69.3 -90.4 -6.4 -23.1 153 76 C L H 3X S+ 0 0 117 -4,-1.3 4,-0.8 1,-0.3 -1,-0.3 0.627 109.5 55.8 -49.7 -13.2 -88.5 -9.6 -23.6 154 77 C A H X S+ 0 0 114 -4,-1.3 4,-2.2 2,-0.2 3,-2.0 0.997 114.4 44.7 -61.1 -62.6 -80.8 -5.7 -23.4 159 82 C Q H 3X S+ 0 0 3 -4,-3.0 4,-2.8 1,-0.3 5,-0.3 0.882 106.8 58.3 -47.7 -51.1 -80.6 -4.7 -19.7 160 83 C Q H 3X S+ 0 0 44 -4,-3.2 4,-0.8 -5,-0.3 -1,-0.3 0.747 108.6 48.1 -56.7 -20.4 -79.0 -8.0 -18.7 161 84 C I H X S+ 0 0 58 -4,-2.2 4,-2.8 1,-0.3 3,-1.1 0.928 106.0 53.0 -48.8 -54.3 -75.9 -3.6 -19.9 163 86 C R H 3X S+ 0 0 16 -4,-2.8 4,-2.5 1,-0.3 -1,-0.3 0.875 107.8 53.3 -50.0 -40.5 -75.5 -4.8 -16.2 164 87 C Q H 3X S+ 0 0 85 -4,-0.8 4,-2.4 -3,-0.5 -1,-0.3 0.822 108.0 49.5 -65.9 -30.8 -72.7 -7.0 -17.4 165 88 C I H X S+ 0 0 63 -4,-3.5 4,-1.9 1,-0.2 3,-0.9 0.927 109.1 42.9 -41.6 -57.3 -63.9 -5.1 -12.8 172 95 C R H 3X S+ 0 0 147 -4,-2.6 4,-2.6 1,-0.3 3,-0.3 0.955 111.0 51.0 -58.6 -54.7 -61.2 -3.3 -14.9 173 96 C Q H 3X S+ 0 0 41 -4,-2.3 4,-1.2 1,-0.2 -1,-0.3 0.694 112.2 56.0 -58.3 -11.0 -61.1 -0.1 -12.9 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