==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=16-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 12-APR-12 4AQ3 . COMPND 2 MOLECULE: APOPTOSIS REGULATOR BCL-2, BCL-2-LIKE PROTEIN 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.BERTRAND,M.FASOLINI,M.MODUGNO . 814 12 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 41692.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 657 80.7 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 . 13 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 90 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 524 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 3.7 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 7 1 2 5 3 0 4 2 2 9 5 2 0 0 6 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 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 9 A Y 0 0 141 0, 0.0 2,-0.4 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 169.8 -16.4 26.9 -20.8 2 10 A D > - 0 0 81 1,-0.1 4,-2.0 2,-0.0 5,-0.1 -0.983 360.0-153.9-141.3 122.1 -13.0 25.5 -19.9 3 11 A N H > S+ 0 0 13 -2,-0.4 4,-3.1 1,-0.2 5,-0.2 0.901 95.1 56.4 -67.7 -39.9 -12.5 22.1 -18.4 4 12 A R H > S+ 0 0 144 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.918 109.4 48.2 -56.6 -43.8 -9.3 22.9 -16.6 5 13 A E H > S+ 0 0 85 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.885 109.7 51.6 -65.0 -45.1 -11.2 25.7 -14.7 6 14 A I H X S+ 0 0 1 -4,-2.0 4,-2.1 1,-0.2 5,-0.2 0.950 112.0 47.0 -56.5 -49.2 -14.1 23.5 -13.9 7 15 A V H X S+ 0 0 0 -4,-3.1 4,-2.6 1,-0.2 5,-0.3 0.938 112.4 49.9 -56.2 -46.7 -11.7 20.9 -12.4 8 16 A M H X S+ 0 0 38 -4,-2.5 4,-2.3 -5,-0.2 -2,-0.2 0.906 112.4 45.4 -67.6 -38.7 -9.8 23.5 -10.4 9 17 A K H X S+ 0 0 105 -4,-2.5 4,-2.4 2,-0.2 -1,-0.2 0.886 113.7 50.2 -70.3 -39.7 -12.8 25.1 -8.8 10 18 A Y H X S+ 0 0 5 -4,-2.1 4,-2.4 -5,-0.3 5,-0.2 0.932 113.0 44.5 -64.4 -46.7 -14.4 21.8 -8.0 11 19 A I H X S+ 0 0 0 -4,-2.6 4,-2.0 -5,-0.2 -2,-0.2 0.897 112.0 54.2 -68.2 -35.3 -11.2 20.4 -6.4 12 20 A H H X S+ 0 0 62 -4,-2.3 4,-1.7 -5,-0.3 -2,-0.2 0.956 110.3 46.5 -61.9 -42.5 -10.7 23.7 -4.5 13 21 A Y H X S+ 0 0 50 -4,-2.4 4,-3.0 1,-0.2 -2,-0.2 0.916 109.7 50.8 -69.4 -44.6 -14.2 23.5 -3.1 14 22 A K H X S+ 0 0 17 -4,-2.4 4,-1.1 1,-0.3 -1,-0.2 0.909 113.8 46.8 -58.4 -40.5 -14.1 19.9 -2.0 15 23 A L H <>S+ 0 0 2 -4,-2.0 5,-2.7 1,-0.2 -1,-0.3 0.816 110.8 52.7 -72.1 -29.2 -10.8 20.6 -0.2 16 24 A S H ><5S+ 0 0 49 -4,-1.7 3,-2.7 1,-0.2 -2,-0.2 0.931 99.2 61.7 -73.4 -44.1 -12.3 23.7 1.3 17 25 A Q H 3<5S+ 0 0 89 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.878 107.9 47.3 -41.5 -43.3 -15.2 21.8 2.7 18 26 A R T 3<5S- 0 0 145 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.128 122.7-102.0 -94.9 18.9 -12.6 19.8 4.7 19 27 A G T < 5S+ 0 0 76 -3,-2.7 2,-0.5 1,-0.2 -3,-0.2 0.742 82.4 126.2 70.9 20.1 -10.6 22.8 6.0 20 28 A Y < - 0 0 74 -5,-2.7 2,-0.6 -8,-0.1 -1,-0.2 -0.968 48.6-152.0-113.0 127.0 -7.8 22.4 3.5 21 29 A E - 0 0 129 -2,-0.5 2,-0.4 -3,-0.1 -9,-0.1 -0.879 16.1-158.0-100.2 117.4 -6.8 25.4 1.4 22 30 A W 0 0 21 -2,-0.6 -6,-0.0 -10,-0.2 -2,-0.0 -0.834 360.0 360.0-103.5 135.6 -5.3 24.4 -1.9 23 31 A D 0 0 181 -2,-0.4 -1,-0.0 -11,-0.0 -11,-0.0 -0.312 360.0 360.0 -53.3 360.0 -3.1 26.4 -4.1 24 ! 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 25 51 A V > 0 0 100 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -65.1 -22.8 28.5 -12.8 26 52 A V H > + 0 0 1 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.905 360.0 53.5 -65.7 -43.2 -21.5 25.1 -14.0 27 53 A H H > S+ 0 0 35 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.880 109.3 48.8 -53.9 -45.0 -19.4 24.7 -10.9 28 54 A L H > S+ 0 0 91 2,-0.2 4,-2.0 1,-0.2 -2,-0.2 0.917 113.2 46.6 -64.7 -44.9 -22.5 25.3 -8.7 29 55 A A H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.901 111.5 52.5 -63.5 -42.2 -24.6 22.8 -10.6 30 56 A L H X S+ 0 0 2 -4,-2.5 4,-3.2 2,-0.2 -2,-0.2 0.897 109.6 46.6 -65.6 -42.6 -21.8 20.2 -10.5 31 57 A R H X S+ 0 0 81 -4,-2.1 4,-2.9 2,-0.2 5,-0.2 0.910 110.4 52.1 -73.6 -35.6 -21.2 20.3 -6.8 32 58 A Q H X S+ 0 0 46 -4,-2.0 4,-1.9 2,-0.2 5,-0.2 0.940 113.7 45.1 -57.8 -46.4 -24.9 20.1 -6.1 33 59 A A H X S+ 0 0 6 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.971 112.9 52.2 -60.7 -49.7 -25.1 17.0 -8.3 34 60 A G H X S+ 0 0 1 -4,-3.2 4,-2.6 1,-0.2 5,-0.2 0.878 107.9 50.3 -54.0 -41.5 -21.9 15.7 -6.7 35 61 A D H X S+ 0 0 33 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.855 112.0 46.3 -67.7 -42.4 -23.3 16.1 -3.2 36 62 A D H X S+ 0 0 4 -4,-1.9 4,-2.2 -3,-0.2 -1,-0.2 0.898 113.0 53.0 -66.6 -35.1 -26.5 14.2 -4.0 37 63 A F H X S+ 0 0 50 -4,-2.7 4,-1.4 -5,-0.2 -2,-0.2 0.944 113.4 39.4 -66.8 -44.9 -24.4 11.6 -5.8 38 64 A S H < S+ 0 0 5 -4,-2.6 7,-0.2 2,-0.2 -1,-0.2 0.873 112.6 55.6 -82.5 -27.5 -22.1 10.8 -2.9 39 65 A R H >< S+ 0 0 106 -4,-2.0 3,-1.3 -5,-0.2 4,-0.2 0.945 108.6 49.7 -61.1 -49.2 -24.8 11.1 -0.2 40 66 A R H 3< S+ 0 0 87 -4,-2.2 3,-0.2 1,-0.2 -1,-0.2 0.856 122.3 33.3 -54.2 -35.7 -26.8 8.4 -2.1 41 67 A Y T 3X S+ 0 0 91 -4,-1.4 4,-2.6 -5,-0.2 5,-0.3 0.038 77.7 131.2-114.5 33.3 -23.7 6.2 -2.3 42 68 A R H <> S+ 0 0 133 -3,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.845 73.0 50.2 -52.0 -48.5 -22.1 7.1 1.0 43 69 A G H > S+ 0 0 49 -3,-0.2 4,-2.6 -4,-0.2 -1,-0.2 0.943 113.0 46.6 -55.8 -49.9 -21.5 3.5 2.1 44 70 A D H > S+ 0 0 92 1,-0.2 4,-3.0 2,-0.2 -2,-0.2 0.860 110.9 51.8 -59.6 -42.4 -19.8 2.6 -1.3 45 71 A F H X S+ 0 0 20 -4,-2.6 4,-2.3 -7,-0.2 -1,-0.2 0.846 110.6 50.3 -64.6 -30.3 -17.7 5.8 -1.2 46 72 A A H X S+ 0 0 56 -4,-1.6 4,-1.8 -5,-0.3 -2,-0.2 0.921 111.3 46.3 -75.4 -43.7 -16.6 4.7 2.3 47 73 A E H >X S+ 0 0 110 -4,-2.6 4,-1.1 2,-0.2 3,-0.6 0.981 113.7 50.1 -56.4 -56.2 -15.7 1.2 1.2 48 74 A M H >X S+ 0 0 51 -4,-3.0 3,-0.8 1,-0.3 4,-0.8 0.905 107.6 54.4 -54.3 -42.3 -13.8 2.6 -1.8 49 75 A S H >< S+ 0 0 32 -4,-2.3 3,-0.7 1,-0.3 4,-0.4 0.886 108.2 46.8 -60.8 -40.9 -11.9 5.1 0.4 50 76 A S H << S+ 0 0 82 -4,-1.8 -1,-0.3 -3,-0.6 -2,-0.2 0.634 113.8 50.5 -77.3 -13.1 -10.5 2.4 2.7 51 77 A Q H << S+ 0 0 26 -4,-1.1 -1,-0.2 -3,-0.8 -2,-0.2 0.548 89.2 83.5 -93.6 -8.6 -9.5 0.2 -0.3 52 78 A L << - 0 0 2 -4,-0.8 3,-0.2 -3,-0.7 -2,-0.1 0.846 61.0-170.1 -72.4 -39.4 -7.7 2.9 -2.2 53 79 A H - 0 0 89 -4,-0.4 2,-0.2 1,-0.2 5,-0.1 0.930 23.3-157.7 40.4 57.5 -4.3 2.8 -0.5 54 80 A L + 0 0 1 4,-0.1 -1,-0.2 3,-0.1 -2,-0.0 -0.428 29.1 143.8 -63.9 130.4 -3.3 5.9 -2.3 55 81 A T >> - 0 0 35 -2,-0.2 4,-2.0 -3,-0.2 3,-0.9 -0.940 65.6 -94.3-146.8 179.2 0.4 6.7 -2.8 56 82 A P T 34 S+ 0 0 85 0, 0.0 4,-0.4 0, 0.0 -2,-0.0 0.751 125.7 54.1 -65.3 -20.0 2.4 8.3 -5.6 57 83 A F T 34 S+ 0 0 190 1,-0.1 4,-0.2 2,-0.1 -3,-0.1 0.748 117.4 31.0 -79.5 -26.0 3.0 4.7 -6.8 58 84 A T T <> S+ 0 0 34 -3,-0.9 4,-2.6 -5,-0.1 3,-0.3 0.653 95.4 87.2-108.1 -17.8 -0.6 3.6 -7.1 59 85 A A H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.3 5,-0.2 0.834 88.1 47.2 -65.5 -44.4 -2.4 6.8 -7.9 60 86 A R H > S+ 0 0 155 -4,-0.4 4,-2.5 1,-0.2 -1,-0.3 0.893 115.1 49.2 -57.8 -44.2 -2.2 6.8 -11.7 61 87 A G H > S+ 0 0 35 -3,-0.3 4,-2.7 2,-0.2 5,-0.2 0.871 110.6 49.4 -64.8 -41.2 -3.3 3.2 -11.7 62 88 A R H X S+ 0 0 28 -4,-2.6 4,-2.9 2,-0.2 5,-0.2 0.948 111.7 49.7 -62.4 -46.2 -6.3 3.9 -9.4 63 89 A F H X S+ 0 0 16 -4,-2.4 4,-2.7 1,-0.2 5,-0.3 0.961 114.2 43.2 -59.2 -52.8 -7.3 6.7 -11.6 64 90 A A H X S+ 0 0 51 -4,-2.5 4,-2.4 1,-0.2 5,-0.3 0.876 112.5 53.0 -60.9 -42.6 -7.1 4.7 -14.8 65 91 A T H X S+ 0 0 46 -4,-2.7 4,-2.5 2,-0.2 5,-0.2 0.972 113.8 43.1 -61.8 -45.9 -8.8 1.7 -13.3 66 92 A V H X S+ 0 0 20 -4,-2.9 4,-3.6 -5,-0.2 -2,-0.2 0.963 116.1 45.3 -64.6 -47.6 -11.7 3.7 -12.1 67 93 A V H X S+ 0 0 7 -4,-2.7 4,-1.8 1,-0.3 -1,-0.2 0.889 112.8 50.8 -67.7 -42.6 -12.2 5.8 -15.2 68 94 A E H < S+ 0 0 85 -4,-2.4 4,-0.4 -5,-0.3 -1,-0.3 0.897 114.8 44.1 -58.0 -43.2 -11.9 2.8 -17.5 69 95 A E H >< S+ 0 0 82 -4,-2.5 3,-1.0 -5,-0.3 4,-0.4 0.954 111.9 53.7 -69.7 -46.9 -14.5 1.0 -15.4 70 96 A L H 3< S+ 0 0 38 -4,-3.6 3,-0.2 -5,-0.2 -2,-0.2 0.844 118.9 30.0 -52.8 -38.4 -16.8 4.0 -15.1 71 97 A F T >< S+ 0 0 20 -4,-1.8 3,-1.8 -5,-0.2 -1,-0.2 0.266 84.0 108.0-112.5 10.7 -17.1 4.8 -18.9 72 98 A R T < S+ 0 0 111 -3,-1.0 -1,-0.2 -4,-0.4 -2,-0.1 0.878 86.5 40.9 -61.6 -38.4 -16.7 1.3 -20.4 73 99 A D T 3 S- 0 0 129 -4,-0.4 -1,-0.3 1,-0.3 2,-0.2 0.237 128.2 -82.0 -88.2 8.3 -20.4 1.2 -21.4 74 100 A G < - 0 0 30 -3,-1.8 2,-0.3 2,-0.0 -1,-0.3 -0.654 51.9 -70.2 117.3-176.6 -20.6 4.7 -22.6 75 101 A V + 0 0 28 -2,-0.2 2,-0.3 -3,-0.1 -4,-0.1 -0.889 42.1 156.9-124.2 145.7 -21.1 8.1 -21.1 76 102 A N > - 0 0 19 -2,-0.3 4,-1.6 608,-0.1 5,-0.1 -0.940 54.3 -96.8-154.2 174.0 -24.0 9.9 -19.4 77 103 A W H > S+ 0 0 18 -2,-0.3 4,-2.5 1,-0.2 5,-0.2 0.835 120.6 59.2 -67.6 -32.6 -24.3 12.8 -17.0 78 104 A G H > S+ 0 0 17 605,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.956 106.8 48.8 -57.3 -47.1 -24.6 10.6 -14.0 79 105 A R H > S+ 0 0 78 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.824 108.4 52.5 -64.8 -32.0 -21.2 9.1 -14.9 80 106 A I H X S+ 0 0 1 -4,-1.6 4,-2.3 2,-0.2 5,-0.2 0.949 108.9 49.4 -69.1 -44.8 -19.6 12.5 -15.3 81 107 A V H X S+ 0 0 11 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.950 110.5 52.4 -51.9 -48.3 -20.8 13.5 -11.8 82 108 A A H X S+ 0 0 12 -4,-2.7 4,-2.9 1,-0.2 -1,-0.2 0.903 105.9 54.9 -56.1 -38.2 -19.4 10.2 -10.6 83 109 A F H X S+ 0 0 1 -4,-1.8 4,-2.6 1,-0.2 -1,-0.2 0.925 109.2 45.5 -62.5 -47.6 -16.1 11.1 -12.2 84 110 A F H X S+ 0 0 2 -4,-2.3 4,-2.9 2,-0.2 -1,-0.2 0.922 112.5 51.5 -59.2 -44.5 -15.8 14.5 -10.4 85 111 A E H X S+ 0 0 3 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.948 110.2 48.9 -62.0 -44.4 -16.8 12.8 -7.1 86 112 A F H X S+ 0 0 5 -4,-2.9 4,-2.4 2,-0.2 5,-0.2 0.957 110.2 50.0 -58.9 -54.0 -14.1 10.2 -7.5 87 113 A G H X S+ 0 0 1 -4,-2.6 4,-2.3 2,-0.2 5,-0.2 0.933 110.3 52.1 -46.6 -48.7 -11.5 12.9 -8.3 88 114 A G H X S+ 0 0 2 -4,-2.9 4,-3.0 1,-0.2 5,-0.2 0.952 107.7 52.0 -55.5 -49.5 -12.6 14.7 -5.2 89 115 A V H X S+ 0 0 20 -4,-2.9 4,-2.7 1,-0.2 -1,-0.2 0.891 108.4 49.8 -56.9 -39.6 -12.2 11.6 -3.2 90 116 A M H X S+ 0 0 0 -4,-2.4 4,-1.9 1,-0.2 -1,-0.2 0.912 113.8 46.1 -66.8 -37.3 -8.6 11.1 -4.5 91 117 A C H X S+ 0 0 1 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.900 112.5 49.5 -73.6 -39.5 -7.7 14.7 -3.6 92 118 A V H X S+ 0 0 6 -4,-3.0 4,-2.4 -5,-0.2 -2,-0.2 0.963 114.5 45.1 -60.2 -49.1 -9.3 14.5 -0.2 93 119 A E H X S+ 0 0 35 -4,-2.7 4,-1.8 1,-0.2 -2,-0.2 0.823 107.7 58.9 -63.9 -34.1 -7.4 11.2 0.5 94 120 A S H <>S+ 0 0 0 -4,-1.9 5,-2.7 -5,-0.2 3,-0.2 0.960 109.5 44.2 -57.1 -47.3 -4.2 12.7 -0.9 95 121 A V H ><5S+ 0 0 30 -4,-2.1 3,-2.1 1,-0.2 5,-0.2 0.939 108.6 55.9 -68.0 -44.4 -4.5 15.4 1.7 96 122 A N H 3<5S+ 0 0 92 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.839 111.7 44.3 -52.9 -36.1 -5.3 13.1 4.6 97 123 A R T 3<5S- 0 0 109 -4,-1.8 -1,-0.3 -3,-0.2 -2,-0.2 0.264 117.0-110.9-100.5 12.4 -2.2 11.0 3.9 98 124 A E T < 5S+ 0 0 177 -3,-2.1 -3,-0.2 1,-0.1 -2,-0.1 0.905 84.2 120.6 59.1 42.4 0.1 14.1 3.5 99 125 A M > < + 0 0 39 -5,-2.7 3,-2.6 -6,-0.2 4,-0.4 -0.253 24.7 151.3-119.5 44.9 0.6 13.6 -0.2 100 126 A S T > + 0 0 44 1,-0.3 3,-1.3 -5,-0.2 4,-0.5 0.722 62.0 68.9 -46.1 -30.8 -0.8 17.0 -1.1 101 127 A P T >> S+ 0 0 86 0, 0.0 4,-0.8 0, 0.0 3,-0.7 0.754 86.7 69.5 -66.3 -21.7 1.4 17.3 -4.2 102 128 A L H <> S+ 0 0 12 -3,-2.6 4,-2.6 1,-0.2 3,-0.4 0.820 82.5 72.8 -60.3 -32.2 -0.7 14.5 -5.7 103 129 A V H <> S+ 0 0 0 -3,-1.3 4,-2.9 -4,-0.4 5,-0.3 0.911 93.7 53.4 -50.5 -43.0 -3.6 16.9 -5.9 104 130 A D H <> S+ 0 0 88 -3,-0.7 4,-1.8 -4,-0.5 -1,-0.2 0.894 110.2 47.0 -64.1 -36.4 -1.8 18.7 -8.9 105 131 A N H X S+ 0 0 64 -4,-0.8 4,-3.1 -3,-0.4 -1,-0.2 0.908 112.2 49.9 -64.4 -43.4 -1.5 15.4 -10.7 106 132 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.930 110.4 48.5 -65.4 -44.3 -5.1 14.5 -10.1 107 133 A A H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -1,-0.2 0.905 113.4 48.9 -60.5 -43.0 -6.4 17.8 -11.3 108 134 A L H X S+ 0 0 86 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.901 111.5 48.7 -63.6 -43.0 -4.2 17.4 -14.4 109 135 A W H X S+ 0 0 19 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.864 110.0 51.4 -66.2 -34.7 -5.4 13.9 -15.1 110 136 A M H X S+ 0 0 0 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.905 111.9 48.3 -69.1 -38.4 -9.0 14.9 -14.7 111 137 A T H X S+ 0 0 11 -4,-2.0 4,-2.9 2,-0.2 5,-0.3 0.940 111.3 47.8 -66.8 -48.7 -8.4 17.8 -17.2 112 138 A E 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48.1 -66.7 27.1 -30.2 23.4 -17.9 134 160 A L T <4 S+ 0 0 26 -3,-0.9 2,-0.5 -2,-0.5 -2,-0.2 0.504 122.8 27.0-121.1 -63.5 -30.5 20.2 -15.6 135 161 A Y < 0 0 34 -4,-1.8 -1,-0.3 1,-0.1 -106,-0.2 -0.941 360.0 360.0 -93.7 118.0 -29.3 21.8 -12.3 136 162 A G 0 0 92 -2,-0.5 -1,-0.1 -3,-0.1 -3,-0.1 0.622 360.0 360.0 -95.4 360.0 -29.7 25.6 -11.8 137 !* 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 0.0 138 9 B Y 0 0 146 0, 0.0 2,-0.5 0, 0.0 126,-0.0 0.000 360.0 360.0 360.0 131.9 -39.5 7.4 -57.4 139 10 B D > - 0 0 79 1,-0.1 4,-2.6 2,-0.0 5,-0.1 -0.938 360.0-160.3-120.6 116.0 -42.9 8.2 -56.0 140 11 B N H > S+ 0 0 15 -2,-0.5 4,-3.1 2,-0.2 5,-0.2 0.853 91.8 54.0 -54.7 -45.3 -43.5 11.4 -54.1 141 12 B R H > S+ 0 0 149 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.959 111.3 47.4 -57.5 -50.0 -46.7 10.3 -52.3 142 13 B E H > S+ 0 0 72 1,-0.2 4,-2.7 2,-0.2 5,-0.4 0.932 109.9 52.5 -56.9 -46.3 -44.8 7.3 -51.0 143 14 B I H X S+ 0 0 1 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.932 113.0 46.1 -60.4 -38.5 -41.9 9.5 -50.0 144 15 B V H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 5,-0.3 0.939 112.5 48.3 -67.6 -46.3 -44.3 11.7 -48.0 145 16 B M H X S+ 0 0 56 -4,-3.3 4,-2.6 2,-0.2 5,-0.2 0.939 112.9 47.7 -62.1 -47.6 -46.2 8.8 -46.4 146 17 B K H X S+ 0 0 102 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.938 113.4 48.5 -56.9 -49.0 -43.1 7.0 -45.2 147 18 B Y H X S+ 0 0 6 -4,-1.9 4,-1.9 -5,-0.4 -2,-0.2 0.919 113.6 44.4 -61.0 -42.4 -41.6 10.2 -43.8 148 19 B I H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.899 111.4 53.7 -73.6 -39.8 -44.7 11.2 -41.9 149 20 B H H X S+ 0 0 75 -4,-2.6 4,-1.5 -5,-0.3 -1,-0.2 0.943 109.3 49.3 -55.5 -47.2 -45.3 7.8 -40.6 150 21 B Y H X S+ 0 0 53 -4,-2.6 4,-2.5 -5,-0.2 -2,-0.2 0.864 110.7 49.8 -62.7 -36.6 -41.7 7.8 -39.3 151 22 B K H X S+ 0 0 8 -4,-1.9 4,-0.8 1,-0.2 -2,-0.2 0.934 112.0 47.4 -68.5 -45.0 -42.2 11.2 -37.6 152 23 B L H <>S+ 0 0 3 -4,-2.8 5,-2.9 2,-0.2 -1,-0.2 0.780 113.7 49.2 -63.0 -26.3 -45.4 10.2 -35.9 153 24 B S H ><5S+ 0 0 43 -4,-1.5 3,-2.2 3,-0.2 -2,-0.2 0.912 98.9 63.5 -84.5 -45.6 -43.8 6.9 -34.7 154 25 B Q H 3<5S+ 0 0 61 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.830 113.9 38.6 -27.5 -42.6 -40.7 8.7 -33.3 155 26 B R T 3<5S- 0 0 42 -4,-0.8 -1,-0.3 2,-0.2 -2,-0.2 0.260 123.2-103.4-110.1 3.7 -43.3 10.2 -31.0 156 27 B G T < 5S+ 0 0 68 -3,-2.2 2,-0.3 1,-0.3 -3,-0.2 0.455 77.7 124.7 88.2 4.1 -45.4 7.2 -30.4 157 28 B Y < - 0 0 84 -5,-2.9 2,-0.5 -6,-0.2 -1,-0.3 -0.738 49.4-145.0 -90.9 151.9 -48.5 7.9 -32.6 158 29 B E - 0 0 139 -2,-0.3 2,-0.4 -3,-0.1 -9,-0.1 -0.965 15.2-157.3-118.5 119.6 -49.4 5.2 -35.1 159 30 B W 0 0 29 -2,-0.5 -6,-0.0 -10,-0.1 -10,-0.0 -0.860 360.0 360.0-114.0 140.3 -50.8 6.4 -38.4 160 31 B D 0 0 188 -2,-0.4 -2,-0.0 -11,-0.0 -1,-0.0 -0.524 360.0 360.0 -80.6 360.0 -53.0 4.6 -40.9 161 ! 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 0.0 162 51 B V > 0 0 106 0, 0.0 4,-2.0 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -58.2 -33.3 4.4 -49.5 163 52 B V H > + 0 0 3 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.857 360.0 57.7 -50.4 -42.2 -34.5 7.9 -50.2 164 53 B H H > S+ 0 0 42 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.912 106.6 46.1 -65.8 -41.0 -36.5 7.6 -47.0 165 54 B L H > S+ 0 0 91 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.870 111.3 52.1 -69.2 -37.7 -33.5 6.9 -44.9 166 55 B A H X S+ 0 0 0 -4,-2.0 4,-3.2 2,-0.2 -2,-0.2 0.964 110.8 49.3 -58.5 -49.4 -31.5 9.8 -46.5 167 56 B L H X S+ 0 0 2 -4,-2.6 4,-4.1 1,-0.2 5,-0.3 0.918 111.6 45.8 -59.3 -48.5 -34.4 12.1 -45.7 168 57 B R H X S+ 0 0 93 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.871 112.4 50.9 -73.4 -28.3 -34.8 11.2 -42.1 169 58 B Q H X S+ 0 0 53 -4,-1.9 4,-2.0 -5,-0.2 -2,-0.2 0.972 116.3 43.0 -64.6 -47.7 -31.1 11.3 -41.5 170 59 B A H X S+ 0 0 3 -4,-3.2 4,-2.0 1,-0.2 -2,-0.2 0.922 113.1 51.3 -63.5 -44.5 -31.1 14.8 -43.1 171 60 B G H X S+ 0 0 1 -4,-4.1 4,-2.7 1,-0.2 5,-0.2 0.885 108.5 52.0 -61.7 -37.4 -34.3 16.0 -41.3 172 61 B D H X S+ 0 0 29 -4,-1.9 4,-1.7 -5,-0.3 -1,-0.2 0.902 110.8 47.4 -68.7 -39.8 -32.9 14.9 -37.9 173 62 B D H X S+ 0 0 4 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.865 115.1 46.8 -62.5 -35.9 -29.7 16.9 -38.5 174 63 B F H X S+ 0 0 53 -4,-2.0 4,-1.0 1,-0.2 -2,-0.2 0.918 113.7 45.5 -78.8 -40.7 -31.7 20.0 -39.7 175 64 B S H < S+ 0 0 9 -4,-2.7 7,-0.2 -5,-0.2 -1,-0.2 0.815 112.6 51.9 -73.0 -28.4 -34.2 19.9 -36.8 176 65 B R H >< S+ 0 0 86 -4,-1.7 3,-2.1 -5,-0.2 4,-0.2 0.976 107.5 52.1 -67.0 -54.8 -31.3 19.4 -34.3 177 66 B R H 3< S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.744 120.4 35.8 -48.5 -28.1 -29.4 22.4 -35.7 178 67 B Y T 3X S+ 0 0 93 -4,-1.0 4,-2.7 1,-0.1 5,-0.3 0.019 71.6 132.9-121.6 33.0 -32.6 24.4 -35.3 179 68 B R H <> S+ 0 0 86 -3,-2.1 4,-1.8 1,-0.2 -1,-0.1 0.928 77.3 49.5 -43.2 -56.3 -34.1 23.0 -32.1 180 69 B G H >> S+ 0 0 50 -4,-0.2 4,-2.1 1,-0.2 3,-0.5 0.942 111.0 47.6 -50.2 -53.6 -34.6 26.6 -30.8 181 70 B D H 3> S+ 0 0 106 1,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.907 110.5 51.9 -63.7 -33.6 -36.4 27.8 -33.9 182 71 B F H 3X S+ 0 0 28 -4,-2.7 4,-2.3 -7,-0.2 -1,-0.3 0.834 107.1 55.1 -70.3 -27.3 -38.6 24.7 -34.1 183 72 B A H X S+ 0 0 58 -4,-2.7 3,-1.9 1,-0.2 4,-1.0 0.932 108.4 51.6 -49.8 -52.5 -42.5 28.0 -34.4 186 75 B S H 3< S+ 0 0 26 -4,-2.3 4,-0.4 1,-0.3 3,-0.4 0.821 110.2 47.2 -58.4 -38.4 -44.4 25.2 -32.7 187 76 B S H 3< S+ 0 0 89 -4,-1.7 -1,-0.3 -3,-0.5 -2,-0.2 0.553 115.6 46.3 -81.4 -7.3 -45.7 27.4 -30.0 188 77 B Q H << S+ 0 0 122 -3,-1.9 -2,-0.2 -4,-1.0 -1,-0.2 0.461 89.1 88.4-103.3 -6.7 -46.8 30.1 -32.5 189 78 B L < - 0 0 9 -4,-1.0 -2,-0.1 -3,-0.4 -3,-0.1 0.868 60.9-172.3 -67.3 -40.5 -48.4 27.7 -34.9 190 79 B H - 0 0 113 -4,-0.4 2,-0.2 1,-0.2 5,-0.1 0.915 20.8-158.7 45.5 51.7 -51.9 27.8 -33.3 191 80 B L + 0 0 0 4,-0.1 -1,-0.2 3,-0.1 -2,-0.1 -0.428 24.6 155.6 -63.1 125.7 -53.0 25.0 -35.6 192 81 B T >> - 0 0 42 -2,-0.2 4,-2.1 47,-0.0 3,-0.8 -0.942 59.1-101.6-134.8 172.0 -56.7 24.5 -36.3 193 82 B P T 34 S+ 0 0 80 0, 0.0 4,-0.3 0, 0.0 -2,-0.1 0.715 124.6 51.7 -57.8 -18.9 -58.7 22.9 -39.1 194 83 B F T 34 S+ 0 0 189 2,-0.1 4,-0.2 1,-0.1 -3,-0.1 0.686 116.8 32.6 -92.1 -24.6 -59.2 26.6 -40.2 195 84 B T T <> S+ 0 0 37 -3,-0.8 4,-2.4 2,-0.1 3,-0.2 0.662 94.6 89.8-104.8 -12.2 -55.7 27.9 -40.2 196 85 B A H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.3 5,-0.2 0.839 87.4 47.6 -58.0 -47.7 -53.9 24.7 -41.3 197 86 B R H > S+ 0 0 162 -4,-0.3 4,-2.9 1,-0.2 -1,-0.3 0.920 114.3 48.2 -60.3 -44.2 -54.1 25.3 -45.0 198 87 B G H > S+ 0 0 35 -4,-0.2 4,-2.6 -3,-0.2 -2,-0.2 0.816 110.3 50.4 -66.4 -37.7 -52.9 28.9 -44.6 199 88 B R H X S+ 0 0 83 -4,-2.4 4,-2.9 2,-0.2 5,-0.3 0.992 112.8 47.0 -64.9 -57.3 -49.9 28.0 -42.3 200 89 B F H X S+ 0 0 13 -4,-2.4 4,-2.1 1,-0.2 3,-0.3 0.947 116.8 42.3 -45.5 -61.9 -48.8 25.4 -44.7 201 90 B A H X S+ 0 0 58 -4,-2.9 4,-1.9 1,-0.2 -1,-0.2 0.903 116.1 50.0 -55.6 -41.2 -49.1 27.6 -47.8 202 91 B T H X S+ 0 0 81 -4,-2.6 4,-1.3 -5,-0.2 -1,-0.2 0.869 112.3 45.2 -67.0 -39.6 -47.6 30.6 -46.0 203 92 B V H X S+ 0 0 35 -4,-2.9 4,-2.4 -3,-0.3 -1,-0.2 0.912 114.9 47.6 -73.0 -37.9 -44.5 28.7 -44.6 204 93 B V H X S+ 0 0 1 -4,-2.1 4,-2.1 -5,-0.3 -2,-0.2 0.815 108.1 53.5 -74.1 -36.5 -43.7 27.0 -47.9 205 94 B E H < S+ 0 0 86 -4,-1.9 4,-0.3 -5,-0.3 -1,-0.2 0.887 114.1 43.1 -64.1 -41.8 -44.0 30.1 -50.1 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F C H X S+ 0 0 2 -4,-2.2 4,-2.1 2,-0.2 -2,-0.2 0.944 109.6 47.9 -60.1 -50.5 -48.2 45.5 -1.6 781 118 F V H X S+ 0 0 12 -4,-2.3 4,-3.3 1,-0.2 5,-0.2 0.945 112.2 50.9 -56.0 -45.9 -49.4 46.8 1.8 782 119 F E H X S+ 0 0 28 -4,-2.4 4,-1.7 1,-0.2 -1,-0.2 0.882 105.8 55.3 -60.3 -41.5 -51.4 43.6 2.3 783 120 F S H <>S+ 0 0 0 -4,-2.1 5,-3.0 2,-0.2 -1,-0.2 0.939 112.4 43.6 -53.4 -47.2 -48.4 41.5 1.4 784 121 F V H ><5S+ 0 0 25 -4,-2.1 3,-2.7 1,-0.2 5,-0.2 0.969 108.3 56.3 -67.6 -48.0 -46.5 43.2 4.2 785 122 F N H 3<5S+ 0 0 94 -4,-3.3 -1,-0.2 1,-0.3 -2,-0.2 0.820 112.8 44.9 -52.4 -27.4 -49.4 43.1 6.7 786 123 F R T 3<5S- 0 0 92 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.268 115.7-112.2-105.8 10.6 -49.4 39.3 6.2 787 124 F E T < 5S+ 0 0 175 -3,-2.7 -3,-0.2 1,-0.1 -2,-0.1 0.895 85.9 118.5 58.3 43.6 -45.6 38.8 6.4 788 125 F M > < + 0 0 25 -5,-3.0 3,-2.1 -6,-0.1 4,-0.3 -0.372 28.1 150.5-123.6 45.8 -45.4 37.8 2.8 789 126 F S T > + 0 0 39 1,-0.3 3,-1.5 -5,-0.2 4,-0.4 0.715 58.7 68.5 -57.9 -25.8 -43.2 40.7 2.0 790 127 F P T >> S+ 0 0 84 0, 0.0 3,-1.3 0, 0.0 4,-1.0 0.808 84.3 72.4 -64.5 -24.0 -41.4 39.0 -0.8 791 128 F L H <> S+ 0 0 15 -3,-2.1 4,-3.0 1,-0.3 5,-0.2 0.713 82.1 74.0 -62.6 -17.9 -44.6 39.2 -2.9 792 129 F V H <> S+ 0 0 0 -3,-1.5 4,-2.7 -4,-0.3 -1,-0.3 0.920 94.2 48.9 -59.2 -45.1 -43.8 42.9 -3.1 793 130 F D H <> S+ 0 0 80 -3,-1.3 4,-1.6 -4,-0.4 -1,-0.2 0.847 112.2 50.2 -65.5 -32.6 -41.1 42.1 -5.7 794 131 F N H X S+ 0 0 61 -4,-1.0 4,-2.7 2,-0.2 -2,-0.2 0.914 110.5 47.8 -68.3 -45.8 -43.5 39.9 -7.6 795 132 F I H X S+ 0 0 0 -4,-3.0 4,-2.1 2,-0.2 -2,-0.2 0.896 109.8 53.1 -63.0 -40.0 -46.2 42.6 -7.6 796 133 F A H X S+ 0 0 0 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.906 110.9 48.4 -59.0 -42.1 -43.6 45.2 -8.8 797 134 F L H X S+ 0 0 84 -4,-1.6 4,-3.3 2,-0.2 -2,-0.2 0.957 111.8 47.0 -61.7 -50.7 -42.7 42.8 -11.6 798 135 F W H X S+ 0 0 21 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.871 112.4 51.0 -63.4 -31.3 -46.3 42.2 -12.7 799 136 F M H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.929 112.2 46.1 -71.6 -42.8 -47.1 45.9 -12.6 800 137 F T H X S+ 0 0 11 -4,-2.0 4,-2.8 2,-0.2 5,-0.3 0.930 113.5 49.3 -64.1 -46.4 -44.1 46.6 -14.7 801 138 F E H X S+ 0 0 59 -4,-3.3 4,-3.1 1,-0.2 5,-0.3 0.937 111.9 47.2 -62.1 -44.2 -45.0 43.8 -17.1 802 139 F Y H X>S+ 0 0 45 -4,-2.9 4,-2.6 1,-0.2 5,-0.7 0.893 112.8 50.7 -66.5 -35.4 -48.6 44.9 -17.5 803 140 F L H X>S+ 0 0 0 -4,-2.4 5,-1.3 -5,-0.2 4,-1.0 0.934 116.2 40.3 -62.7 -48.1 -47.5 48.5 -18.0 804 141 F N H <5S+ 0 0 81 -4,-2.8 -2,-0.2 3,-0.2 -3,-0.2 0.913 124.9 37.2 -68.0 -43.3 -44.9 47.5 -20.7 805 142 F R H <5S+ 0 0 165 -4,-3.1 -3,-0.2 -5,-0.3 -2,-0.2 0.917 131.5 15.6 -74.3 -46.8 -47.1 45.0 -22.4 806 143 F H H <5S+ 0 0 112 -4,-2.6 -3,-0.2 -5,-0.3 4,-0.2 0.563 129.6 31.1-115.9 -12.5 -50.6 46.4 -22.3 807 144 F L T X S+ 0 0 91 2,-0.2 4,-2.4 1,-0.1 5,-0.2 0.949 111.9 45.7 -60.7 -55.2 -48.9 51.8 -26.4 810 147 F W H > S+ 0 0 58 1,-0.2 4,-1.1 2,-0.2 3,-0.5 0.966 111.1 51.1 -58.3 -56.1 -51.9 53.8 -25.2 811 148 F I H ><>S+ 0 0 0 -4,-2.8 5,-2.8 1,-0.3 3,-1.0 0.889 111.6 48.7 -50.6 -42.1 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116.0 53.7 -47.7 -52.5 -48.2 65.8 -16.0 822 159 F E H < S+ 0 0 149 -4,-4.0 -2,-0.2 1,-0.3 -3,-0.2 0.915 119.1 31.9 -63.5 -46.1 -48.8 68.4 -18.8 823 160 F L H < S+ 0 0 112 -4,-2.8 -1,-0.3 -5,-0.1 -2,-0.2 0.704 139.1 22.7 -76.8 -18.9 -52.6 68.1 -18.8 824 161 F Y H < 0 0 90 -4,-2.1 -2,-0.2 -5,-0.4 -3,-0.2 0.984 360.0 360.0 -74.0 -67.6 -52.7 67.3 -14.9 825 162 F G < 0 0 65 -4,-1.7 -3,-0.2 -5,-0.1 -4,-0.1 0.289 360.0 360.0-162.4 360.0 -50.1 68.4 -13.7