==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER APOPTOSIS 22-MAY-12 4AUV . COMPND 2 MOLECULE: BREAST CANCER METASTASIS SUPPRESSOR 1; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.SPINOLA-AMILIBIA,J.RIVERA,M.ORTIZ-LOMBARDIA,A.ROMERO,J.L.N . 208 8 4 0 4 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16038.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 170 81.7 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 . 4 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 78.8 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 1 1 1 0 0 1 0 2 0 0 0 0 0 0 2 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 50 A S 0 0 122 0, 0.0 2,-0.4 0, 0.0 194,-0.0 0.000 360.0 360.0 360.0 164.0 19.0 36.7 41.0 2 51 A E - 0 0 13 70,-0.0 2,-2.2 4,-0.0 3,-0.2 -0.997 360.0-136.6-140.1 128.2 18.3 33.0 41.0 3 52 A D > + 0 0 90 -2,-0.4 4,-2.8 1,-0.2 3,-0.4 -0.579 33.5 178.6 -79.5 76.4 20.1 30.4 38.9 4 53 A Y H > S+ 0 0 20 -2,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.867 74.0 46.2 -53.3 -46.0 16.8 28.8 38.1 5 54 A E H > S+ 0 0 67 2,-0.2 4,-2.3 -3,-0.2 -1,-0.2 0.800 110.4 52.5 -70.2 -33.5 18.2 26.0 35.8 6 55 A R H > S+ 0 0 121 -3,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.960 113.4 44.9 -62.7 -50.5 21.0 25.1 38.3 7 56 A R H X S+ 0 0 76 -4,-2.8 4,-1.9 1,-0.2 -2,-0.2 0.893 111.9 51.8 -60.1 -40.7 18.3 24.7 41.0 8 57 A R H X S+ 0 0 55 -4,-2.5 4,-3.0 -5,-0.3 -1,-0.2 0.928 109.8 50.2 -58.6 -47.8 16.1 22.8 38.7 9 58 A S H X S+ 0 0 59 -4,-2.3 4,-3.0 1,-0.2 -2,-0.2 0.852 107.0 52.8 -60.6 -43.3 18.9 20.4 37.8 10 59 A E H X S+ 0 0 80 -4,-2.1 4,-1.6 2,-0.2 -1,-0.2 0.909 112.9 45.6 -57.8 -39.2 19.8 19.8 41.5 11 60 A a H X S+ 0 0 0 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.954 114.2 48.0 -68.9 -47.0 16.2 18.8 42.2 12 61 A V H X S+ 0 0 37 -4,-3.0 4,-3.0 1,-0.2 5,-0.3 0.943 108.2 54.5 -57.2 -47.9 16.0 16.7 39.1 13 62 A S H X S+ 0 0 58 -4,-3.0 4,-1.8 1,-0.2 -1,-0.2 0.865 108.4 49.6 -57.2 -37.0 19.2 14.9 39.9 14 63 A E H X S+ 0 0 37 -4,-1.6 4,-2.7 2,-0.2 -1,-0.2 0.885 110.7 48.9 -69.4 -40.1 17.9 14.0 43.4 15 64 A M H X S+ 0 0 9 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.893 110.9 50.5 -62.7 -47.0 14.7 12.6 41.9 16 65 A L H X S+ 0 0 101 -4,-3.0 4,-2.2 2,-0.2 -2,-0.2 0.857 111.1 50.6 -53.6 -42.0 16.7 10.6 39.4 17 66 A D H X S+ 0 0 63 -4,-1.8 4,-2.0 -5,-0.3 -2,-0.2 0.938 111.8 44.6 -64.2 -47.7 18.8 9.3 42.3 18 67 A L H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.929 113.2 51.4 -65.1 -40.8 15.8 8.2 44.4 19 68 A E H X S+ 0 0 27 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.883 106.7 53.7 -66.9 -34.1 14.1 6.7 41.4 20 69 A K H X S+ 0 0 86 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.907 107.6 51.9 -66.7 -35.5 17.3 4.7 40.5 21 70 A Q H X S+ 0 0 55 -4,-2.0 4,-1.8 2,-0.2 -2,-0.2 0.937 110.5 47.8 -60.1 -45.5 17.3 3.3 44.1 22 71 A F H X S+ 0 0 10 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.944 113.3 49.3 -60.6 -46.2 13.7 2.2 43.7 23 72 A S H X S+ 0 0 29 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.868 106.5 53.6 -61.8 -41.5 14.6 0.6 40.3 24 73 A E H X S+ 0 0 108 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.881 110.2 48.4 -59.3 -39.1 17.5 -1.2 41.7 25 74 A L H X S+ 0 0 49 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.950 111.2 50.1 -66.7 -46.6 15.3 -2.8 44.4 26 75 A K H X S+ 0 0 98 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.882 111.2 49.6 -58.7 -39.9 12.6 -3.7 41.7 27 76 A E H X S+ 0 0 129 -4,-2.5 4,-2.6 2,-0.2 -1,-0.2 0.903 110.1 50.0 -69.0 -39.6 15.4 -5.3 39.6 28 77 A K H X S+ 0 0 114 -4,-2.2 4,-2.7 2,-0.2 5,-0.2 0.944 113.1 46.9 -58.1 -45.9 16.7 -7.3 42.6 29 78 A L H X S+ 0 0 92 -4,-2.6 4,-2.0 1,-0.2 -2,-0.2 0.890 112.0 50.9 -66.5 -39.0 13.2 -8.5 43.4 30 79 A F H X S+ 0 0 132 -4,-2.3 4,-2.1 -5,-0.2 5,-0.2 0.957 112.5 45.0 -61.1 -53.0 12.5 -9.4 39.7 31 80 A R H X S+ 0 0 183 -4,-2.6 4,-1.9 1,-0.2 -2,-0.2 0.937 114.9 48.8 -62.7 -43.0 15.7 -11.5 39.4 32 81 A E H < S+ 0 0 109 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.826 110.4 51.0 -64.4 -33.9 15.1 -13.2 42.8 33 82 A R H < S+ 0 0 195 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.844 117.9 37.8 -74.5 -32.6 11.5 -14.0 41.9 34 83 A L H < 0 0 120 -4,-2.1 -2,-0.2 -5,-0.2 -1,-0.2 0.702 360.0 360.0 -87.7 -23.0 12.5 -15.6 38.5 35 84 A S < 0 0 139 -4,-1.9 -2,-0.1 -5,-0.2 -3,-0.1 0.969 360.0 360.0 -74.9 360.0 15.7 -17.3 39.5 36 !* 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 37 58 B S 0 0 132 0, 0.0 86,-0.1 0, 0.0 76,-0.0 0.000 360.0 360.0 360.0 138.4 7.9 5.3 60.4 38 59 B E - 0 0 68 75,-0.1 79,-0.2 76,-0.0 78,-0.1 -0.167 360.0 -98.5-110.7 35.3 10.2 5.5 57.4 39 60 B b > + 0 0 4 3,-0.1 4,-2.4 1,-0.1 5,-0.3 0.706 62.8 163.8 70.7 30.2 7.3 6.8 55.3 40 61 B V H > + 0 0 64 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.879 67.5 43.6 -59.1 -49.1 6.3 3.6 53.6 41 62 B S H > S+ 0 0 84 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.918 116.8 48.7 -67.0 -38.8 2.9 4.3 52.1 42 63 B E H > S+ 0 0 17 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.874 107.9 54.1 -65.1 -34.0 3.9 7.7 50.8 43 64 B M H X S+ 0 0 9 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.851 108.8 50.8 -64.9 -37.0 7.1 6.2 49.2 44 65 B L H X S+ 0 0 116 -4,-2.0 4,-2.4 -5,-0.3 -2,-0.2 0.920 106.4 53.7 -67.3 -44.8 4.8 3.8 47.4 45 66 B D H X S+ 0 0 74 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.922 113.1 44.2 -50.9 -52.7 2.5 6.6 46.2 46 67 B L H X S+ 0 0 1 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.900 111.1 51.2 -64.8 -43.2 5.6 8.4 44.7 47 68 B E H X S+ 0 0 35 -4,-2.1 4,-2.7 1,-0.2 5,-0.2 0.887 106.9 56.8 -63.8 -37.4 7.2 5.3 43.1 48 69 B K H X S+ 0 0 106 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.913 105.7 49.3 -58.6 -45.7 3.8 4.6 41.5 49 70 B Q H X S+ 0 0 64 -4,-1.8 4,-2.0 1,-0.2 -1,-0.2 0.882 112.7 48.4 -58.5 -42.4 3.9 8.1 39.8 50 71 B F H X S+ 0 0 11 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.905 113.1 46.4 -64.4 -45.4 7.4 7.5 38.5 51 72 B S H X S+ 0 0 31 -4,-2.7 4,-2.7 2,-0.2 -2,-0.2 0.900 110.1 53.6 -66.8 -40.6 6.6 4.0 37.2 52 73 B E H X S+ 0 0 97 -4,-2.5 4,-2.1 -5,-0.2 -2,-0.2 0.915 110.3 47.4 -60.3 -45.7 3.4 5.3 35.5 53 74 B L H X S+ 0 0 46 -4,-2.0 4,-3.2 2,-0.2 5,-0.2 0.941 111.6 50.3 -59.1 -48.5 5.4 8.0 33.7 54 75 B K H X S+ 0 0 100 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.900 110.8 49.0 -55.9 -47.5 8.1 5.5 32.6 55 76 B E H X S+ 0 0 119 -4,-2.7 4,-2.2 2,-0.2 -1,-0.2 0.929 113.2 47.5 -58.5 -44.6 5.4 3.1 31.2 56 77 B K H X S+ 0 0 107 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.973 112.8 48.5 -62.7 -52.3 3.7 6.0 29.3 57 78 B L H X S+ 0 0 89 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.881 113.3 47.6 -49.3 -48.8 7.1 7.2 27.9 58 79 B F H X S+ 0 0 129 -4,-2.5 4,-1.1 -5,-0.2 -1,-0.2 0.918 112.9 47.6 -60.0 -50.0 8.0 3.7 26.8 59 80 B R H >X S+ 0 0 126 -4,-2.2 4,-2.4 -5,-0.2 3,-0.5 0.945 115.7 46.0 -61.0 -46.1 4.6 3.1 25.1 60 81 B E H 3< S+ 0 0 112 -4,-3.0 -2,-0.2 1,-0.2 -1,-0.2 0.881 108.8 52.4 -64.0 -46.0 4.8 6.4 23.4 61 82 B R H 3< S+ 0 0 231 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.721 122.5 34.1 -63.4 -18.9 8.4 6.2 22.1 62 83 B L H << 0 0 122 -4,-1.1 -2,-0.2 -3,-0.5 -1,-0.2 0.703 360.0 360.0-109.8 -28.1 7.4 2.8 20.6 63 84 B S < 0 0 154 -4,-2.4 -3,-0.2 -5,-0.2 -2,-0.1 0.970 360.0 360.0 -83.4 360.0 3.8 3.1 19.5 64 !* 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 65 50 C S 0 0 43 0, 0.0 2,-0.4 0, 0.0 65,-0.1 0.000 360.0 360.0 360.0 174.6 8.3 23.2 46.3 66 51 C E - 0 0 16 -58,-0.0 2,-1.7 4,-0.0 3,-0.2 -0.992 360.0-143.3-132.7 132.5 9.3 25.6 43.4 67 52 C D > + 0 0 21 -2,-0.4 4,-2.5 1,-0.2 3,-0.3 -0.650 29.6 178.8 -88.3 83.9 8.0 25.9 39.8 68 53 C Y H > S+ 0 0 5 -2,-1.7 4,-2.5 1,-0.2 -1,-0.2 0.844 72.9 48.7 -57.5 -41.1 11.4 26.5 38.4 69 54 C E H > S+ 0 0 47 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.818 110.6 49.7 -77.5 -32.9 10.4 26.8 34.8 70 55 C R H > S+ 0 0 106 -3,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.910 114.1 45.4 -65.0 -46.9 7.5 29.2 35.5 71 56 C R H X S+ 0 0 80 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.901 113.4 50.1 -64.0 -43.1 9.7 31.5 37.5 72 57 C R H X S+ 0 0 96 -4,-2.5 4,-2.8 -5,-0.3 -1,-0.2 0.922 108.4 51.9 -60.5 -43.7 12.5 31.3 35.0 73 58 C S H X S+ 0 0 51 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.838 106.8 53.8 -66.2 -31.0 10.1 32.2 32.1 74 59 C E H X S+ 0 0 63 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.927 110.7 46.5 -67.8 -43.8 8.8 35.3 33.9 75 60 C c H X S+ 0 0 15 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.937 114.2 47.4 -59.3 -46.6 12.3 36.5 34.4 76 61 C V H X S+ 0 0 53 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.917 108.3 55.9 -61.0 -43.5 13.2 35.8 30.7 77 62 C S H X S+ 0 0 27 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.911 108.7 46.8 -61.5 -41.8 10.0 37.5 29.6 78 63 C E H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.868 111.8 51.8 -66.8 -38.8 11.0 40.7 31.4 79 64 C M H X S+ 0 0 103 -4,-2.3 4,-2.2 2,-0.2 -2,-0.2 0.882 109.9 47.7 -59.5 -39.4 14.4 40.6 30.0 80 65 C L H X S+ 0 0 98 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.862 111.5 52.1 -70.5 -33.7 13.2 40.2 26.5 81 66 C D H X S+ 0 0 7 -4,-2.1 4,-1.6 -5,-0.3 -1,-0.2 0.913 110.9 44.9 -70.2 -41.4 10.8 43.1 27.0 82 67 C L H X S+ 0 0 9 -4,-2.1 4,-2.4 2,-0.2 5,-0.2 0.940 113.6 51.4 -66.2 -40.9 13.5 45.5 28.3 83 68 C E H X S+ 0 0 104 -4,-2.2 4,-2.5 1,-0.3 -2,-0.2 0.874 106.1 54.4 -66.8 -35.1 15.8 44.5 25.5 84 69 C K H X S+ 0 0 75 -4,-2.2 4,-2.3 1,-0.2 -1,-0.3 0.906 108.7 49.1 -60.5 -36.8 13.0 45.1 23.0 85 70 C Q H X S+ 0 0 32 -4,-1.6 4,-1.7 2,-0.2 -2,-0.2 0.911 112.9 47.4 -70.1 -40.8 12.7 48.7 24.4 86 71 C F H X S+ 0 0 83 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.933 113.9 47.2 -64.1 -47.4 16.5 49.2 24.1 87 72 C S H X S+ 0 0 47 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.844 108.1 53.2 -66.9 -37.0 16.6 47.9 20.6 88 73 C E H X S+ 0 0 98 -4,-2.3 4,-1.7 -5,-0.2 -1,-0.2 0.886 111.0 48.8 -63.6 -38.5 13.6 49.9 19.4 89 74 C L H X S+ 0 0 51 -4,-1.7 4,-2.7 2,-0.2 5,-0.2 0.907 110.3 50.9 -67.8 -39.4 15.3 53.1 20.6 90 75 C K H X S+ 0 0 154 -4,-2.3 4,-2.1 1,-0.2 -2,-0.2 0.881 110.2 49.3 -66.4 -38.4 18.6 52.1 18.9 91 76 C E H X S+ 0 0 106 -4,-2.1 4,-2.4 2,-0.2 -1,-0.2 0.889 111.9 49.4 -62.9 -39.8 16.8 51.5 15.6 92 77 C K H X S+ 0 0 120 -4,-1.7 4,-2.8 2,-0.2 5,-0.2 0.942 112.7 45.7 -67.0 -49.7 15.1 54.9 15.9 93 78 C L H X S+ 0 0 94 -4,-2.7 4,-3.0 2,-0.2 5,-0.2 0.894 112.8 51.2 -54.9 -46.5 18.3 56.8 16.7 94 79 C F H X S+ 0 0 127 -4,-2.1 4,-2.7 -5,-0.2 5,-0.2 0.946 113.2 44.5 -60.0 -51.9 20.1 55.0 13.9 95 80 C R H X S+ 0 0 168 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.928 115.3 48.6 -54.2 -51.6 17.3 55.9 11.4 96 81 C E H < S+ 0 0 112 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.921 113.3 46.0 -63.6 -43.4 17.2 59.5 12.6 97 82 C R H < S+ 0 0 217 -4,-3.0 -1,-0.2 -5,-0.2 -2,-0.2 0.937 118.7 39.4 -67.0 -43.3 20.8 60.1 12.5 98 83 C L H < 0 0 115 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.733 360.0 360.0 -79.6 -24.7 21.4 58.5 9.0 99 84 C S < 0 0 144 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.618 360.0 360.0-117.5 360.0 18.4 59.7 7.1 100 !* 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 0.0 101 58 D S > 0 0 61 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 135.7 16.9 23.7 48.0 102 59 D E H > + 0 0 113 2,-0.2 4,-2.3 1,-0.2 5,-0.3 0.939 360.0 52.1 -62.3 -44.6 13.6 22.5 49.6 103 60 D a H > S+ 0 0 1 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.934 113.1 44.8 -56.5 -49.1 13.2 19.9 46.8 104 61 D V H > S+ 0 0 24 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.931 112.3 48.3 -65.3 -44.7 16.7 18.6 47.5 105 62 D S H X S+ 0 0 67 -4,-2.6 4,-2.2 1,-0.2 -2,-0.2 0.940 113.9 47.9 -65.0 -40.6 16.6 18.5 51.3 106 63 D E H X S+ 0 0 18 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.881 111.7 50.4 -63.2 -41.5 13.2 16.6 51.2 107 64 D M H X S+ 0 0 0 -4,-2.1 4,-3.0 -5,-0.3 -1,-0.2 0.913 107.8 52.4 -65.7 -41.7 14.6 14.2 48.6 108 65 D L H X S+ 0 0 90 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.920 109.3 50.3 -59.1 -40.2 17.6 13.5 50.7 109 66 D D H X S+ 0 0 34 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.944 111.9 48.1 -58.4 -47.0 15.2 12.7 53.7 110 67 D L H X S+ 0 0 7 -4,-2.5 4,-2.6 2,-0.2 -2,-0.2 0.889 109.7 51.6 -60.5 -46.0 13.3 10.4 51.5 111 68 D E H X S+ 0 0 36 -4,-3.0 4,-2.3 1,-0.2 -1,-0.2 0.912 110.5 49.6 -56.5 -44.8 16.5 8.7 50.2 112 69 D K H X S+ 0 0 137 -4,-2.5 4,-2.0 -5,-0.2 -2,-0.2 0.916 111.5 47.9 -58.8 -43.8 17.6 8.2 53.9 113 70 D Q H X S+ 0 0 26 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.899 110.3 52.2 -69.1 -37.0 14.2 6.7 54.8 114 71 D F H X S+ 0 0 15 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.911 110.0 49.8 -65.1 -39.0 14.3 4.4 51.8 115 72 D S H < S+ 0 0 71 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.872 110.9 48.4 -61.1 -37.9 17.7 3.2 52.9 116 73 D E H < S+ 0 0 89 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.905 107.3 56.4 -73.9 -37.4 16.5 2.6 56.4 117 74 D L H < 0 0 64 -4,-2.5 -2,-0.2 -79,-0.2 -1,-0.2 0.937 360.0 360.0 -54.0 -51.6 13.6 0.7 55.1 118 75 D K < 0 0 134 -4,-2.1 -3,-0.0 -5,-0.1 -93,-0.0 0.016 360.0 360.0 -54.0 360.0 15.8 -1.8 53.2 119 !* 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 0.0 120 57 E R 0 0 278 0, 0.0 3,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 -40.7 5.8 14.1 64.0 121 58 E S > + 0 0 67 1,-0.2 4,-1.6 2,-0.1 3,-0.2 -0.425 360.0 131.1-135.4 49.8 4.9 13.9 60.3 122 59 E E H > S+ 0 0 126 2,-0.2 4,-4.2 -2,-0.2 5,-0.5 0.705 72.7 77.6 -56.0 -22.4 7.1 15.2 57.5 123 60 E b H > S+ 0 0 27 1,-0.3 4,-2.7 -3,-0.2 -1,-0.2 0.964 104.2 31.2 -62.9 -52.0 6.4 11.8 55.8 124 61 E V H > S+ 0 0 69 2,-0.2 4,-2.2 -3,-0.2 -1,-0.3 0.924 123.6 47.9 -65.3 -50.3 3.1 13.0 54.7 125 62 E S H X S+ 0 0 73 -4,-1.6 4,-2.4 1,-0.2 -2,-0.2 0.935 115.0 45.2 -64.0 -49.1 4.1 16.7 54.3 126 63 E E H X S+ 0 0 15 -4,-4.2 4,-3.1 1,-0.2 5,-0.2 0.902 111.0 52.6 -56.8 -48.9 7.2 15.9 52.4 127 64 E M H X S+ 0 0 28 -4,-2.7 4,-2.2 -5,-0.5 -1,-0.2 0.868 111.3 49.2 -51.6 -43.9 5.5 13.3 50.1 128 65 E L H X S+ 0 0 108 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.912 112.8 45.0 -68.6 -44.3 2.9 16.0 49.3 129 66 E D H X S+ 0 0 20 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.933 115.4 46.6 -65.1 -44.7 5.5 18.6 48.6 130 67 E L H X S+ 0 0 0 -4,-3.1 4,-2.4 2,-0.2 -1,-0.2 0.830 108.6 57.0 -66.4 -34.2 7.6 16.3 46.5 131 68 E E H X S+ 0 0 20 -4,-2.2 4,-2.2 -5,-0.2 -1,-0.2 0.912 109.9 45.1 -56.2 -47.9 4.5 15.1 44.6 132 69 E K H X S+ 0 0 102 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.914 111.4 51.5 -67.1 -39.2 3.8 18.6 43.7 133 70 E Q H X S+ 0 0 1 -4,-2.4 4,-2.9 2,-0.2 -2,-0.2 0.911 108.5 52.9 -63.1 -38.2 7.4 19.3 42.7 134 71 E F H X S+ 0 0 19 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.945 108.8 48.6 -62.4 -45.2 7.3 16.1 40.4 135 72 E S H X S+ 0 0 57 -4,-2.2 4,-0.7 1,-0.2 3,-0.2 0.937 111.6 51.7 -58.8 -45.7 4.2 17.4 38.7 136 73 E E H >< S+ 0 0 34 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.931 109.7 49.3 -57.4 -46.3 6.0 20.7 38.3 137 74 E L H 3< S+ 0 0 18 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.814 112.5 44.4 -65.9 -33.3 9.1 19.1 36.7 138 75 E K H 3< S+ 0 0 106 -4,-1.9 -1,-0.2 -3,-0.2 -2,-0.2 0.414 89.5 114.3 -96.2 3.1 7.3 17.0 34.1 139 76 E E << 0 0 67 -3,-0.9 -3,-0.0 -4,-0.7 -4,-0.0 -0.341 360.0 360.0 -67.1 154.1 4.9 19.8 33.0 140 77 E K 0 0 211 -2,-0.1 -3,-0.0 0, 0.0 -2,-0.0 -0.452 360.0 360.0 63.6 360.0 5.1 21.2 29.4 141 !* 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 0.0 142 54 F E > 0 0 192 0, 0.0 4,-1.8 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -57.4 5.6 37.8 24.6 143 55 F R H > + 0 0 202 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.833 360.0 52.3 -69.2 -39.6 2.8 40.3 23.7 144 56 F R H > S+ 0 0 169 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.893 108.5 52.6 -65.3 -42.2 0.9 40.0 27.0 145 57 F R H > S+ 0 0 46 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.945 108.4 49.8 -56.8 -49.8 4.1 40.8 28.9 146 58 F S H X S+ 0 0 16 -4,-1.8 4,-2.9 1,-0.2 -2,-0.2 0.902 111.7 47.0 -65.2 -34.9 4.8 43.9 26.9 147 59 F E H X S+ 0 0 138 -4,-2.0 4,-2.6 2,-0.2 5,-0.3 0.866 109.3 55.2 -67.5 -41.0 1.2 45.3 27.4 148 60 F d H X S+ 0 0 6 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.940 113.7 42.6 -54.1 -45.8 1.4 44.5 31.2 149 61 F V H X S+ 0 0 1 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.914 113.3 49.5 -70.3 -46.7 4.5 46.6 31.3 150 62 F S H X S+ 0 0 69 -4,-2.9 4,-2.1 2,-0.2 -1,-0.2 0.905 113.6 47.7 -52.7 -49.0 3.3 49.5 29.0 151 63 F E H X S+ 0 0 115 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.906 111.3 50.8 -60.6 -42.7 0.1 49.7 31.1 152 64 F M H X S+ 0 0 5 -4,-2.3 4,-2.0 -5,-0.3 -2,-0.2 0.918 111.6 47.4 -60.8 -43.4 2.1 49.7 34.4 153 65 F L H X S+ 0 0 27 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.888 111.2 50.7 -67.0 -37.9 4.4 52.4 33.2 154 66 F D H X S+ 0 0 101 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.915 113.6 45.3 -64.8 -47.0 1.4 54.5 31.9 155 67 F L H X S+ 0 0 77 -4,-2.6 4,-2.4 2,-0.2 -1,-0.2 0.818 112.6 50.7 -67.2 -33.8 -0.3 54.2 35.4 156 68 F E H X S+ 0 0 13 -4,-2.0 4,-2.4 -5,-0.2 -1,-0.2 0.876 111.5 47.4 -70.9 -36.4 2.8 54.9 37.3 157 69 F K H X S+ 0 0 85 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.889 112.0 51.5 -67.3 -42.6 3.4 58.0 35.2 158 70 F Q H X S+ 0 0 80 -4,-2.4 4,-2.4 2,-0.2 -2,-0.2 0.947 110.2 48.6 -57.7 -43.9 -0.3 58.9 35.9 159 71 F F H X S+ 0 0 28 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.934 108.8 53.5 -65.9 -44.6 0.3 58.4 39.6 160 72 F S H X S+ 0 0 52 -4,-2.4 4,-1.0 1,-0.2 -1,-0.2 0.926 111.0 48.2 -45.0 -52.2 3.4 60.6 39.5 161 73 F E H < S+ 0 0 76 -4,-2.4 3,-0.4 1,-0.2 -2,-0.2 0.878 111.0 48.7 -59.2 -42.0 1.3 63.3 37.8 162 74 F L H < S+ 0 0 133 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.763 114.0 44.8 -74.0 -31.0 -1.5 63.1 40.4 163 75 F K H < 0 0 112 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.568 360.0 360.0 -88.8 -10.6 0.8 63.3 43.4 164 76 F E < 0 0 188 -4,-1.0 -3,-0.0 -3,-0.4 -4,-0.0 -0.225 360.0 360.0 -42.7 360.0 2.9 66.2 41.9 165 !* 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 0.0 166 58 G S 0 0 103 0, 0.0 3,-0.2 0, 0.0 -22,-0.0 0.000 360.0 360.0 360.0 -15.3 -3.0 37.5 31.4 167 59 G E - 0 0 164 1,-0.2 2,-1.8 2,-0.1 3,-0.3 0.976 360.0-157.0 53.4 90.7 -2.6 38.4 35.1 168 60 G d > + 0 0 23 1,-0.2 4,-2.2 2,-0.1 5,-0.2 -0.503 35.6 155.5 -86.6 60.3 0.1 41.2 35.1 169 61 G V H > + 0 0 80 -2,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.939 62.9 47.8 -67.7 -45.8 0.8 40.3 38.7 170 62 G S H > S+ 0 0 32 -3,-0.3 4,-1.9 1,-0.2 -1,-0.2 0.869 113.2 49.2 -63.5 -37.5 4.3 41.6 39.0 171 63 G E H > S+ 0 0 5 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.856 109.1 52.6 -68.8 -38.5 3.4 44.9 37.4 172 64 G M H X S+ 0 0 129 -4,-2.2 4,-2.3 2,-0.2 -2,-0.2 0.931 108.2 50.9 -60.8 -42.1 0.5 45.2 39.7 173 65 G L H X S+ 0 0 107 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.914 109.1 52.0 -60.2 -36.6 2.8 44.6 42.7 174 66 G D H X S+ 0 0 7 -4,-1.9 4,-1.4 2,-0.2 -1,-0.2 0.878 109.2 47.7 -73.4 -38.0 5.1 47.3 41.4 175 67 G L H X S+ 0 0 29 -4,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.914 112.6 50.4 -66.6 -41.8 2.3 50.0 41.1 176 68 G E H X S+ 0 0 94 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.865 104.6 58.4 -61.5 -40.6 1.2 49.0 44.6 177 69 G K H X S+ 0 0 85 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.887 104.4 50.1 -55.6 -38.6 4.7 49.5 45.7 178 70 G Q H X S+ 0 0 39 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.866 110.7 49.6 -65.0 -42.2 4.6 53.1 44.5 179 71 G F H X S+ 0 0 91 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.917 111.8 49.0 -58.4 -46.0 1.4 53.7 46.4 180 72 G S H X S+ 0 0 40 -4,-2.5 4,-2.6 2,-0.2 5,-0.2 0.900 108.1 53.6 -65.6 -37.5 3.0 52.2 49.6 181 73 G E H X S+ 0 0 98 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.917 109.6 47.9 -64.7 -41.0 6.1 54.4 49.2 182 74 G L H X S+ 0 0 45 -4,-1.9 4,-2.8 1,-0.2 5,-0.2 0.930 110.8 52.8 -64.0 -43.1 4.0 57.5 49.1 183 75 G K H X S+ 0 0 127 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.903 109.9 46.9 -59.2 -42.9 2.0 56.4 52.1 184 76 G E H X S+ 0 0 126 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.928 112.3 50.0 -67.9 -36.0 5.1 55.8 54.2 185 77 G K H X S+ 0 0 98 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.938 112.4 47.5 -66.3 -42.1 6.5 59.2 53.1 186 78 G L H X S+ 0 0 88 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.865 110.1 53.3 -64.0 -39.5 3.2 61.0 54.0 187 79 G F H X S+ 0 0 127 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.944 111.2 45.1 -57.5 -51.5 3.1 59.1 57.4 188 80 G R H X S+ 0 0 132 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.927 114.5 49.4 -62.8 -42.2 6.6 60.3 58.3 189 81 G E H < S+ 0 0 102 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.892 110.5 50.0 -66.9 -36.6 5.9 63.9 57.1 190 82 G R H < S+ 0 0 218 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.837 118.6 37.1 -74.4 -32.5 2.6 64.1 59.1 191 83 G L H < 0 0 122 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.751 360.0 360.0 -89.1 -21.6 4.2 62.9 62.4 192 84 G S < 0 0 148 -4,-1.8 -4,-0.0 -5,-0.2 0, 0.0 -0.345 360.0 360.0 -80.1 360.0 7.6 64.5 62.2 193 !* 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 0.0 194 58 H S 0 0 43 0, 0.0 -191,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -71.1 15.5 36.2 43.1 195 59 H E > + 0 0 127 -194,-0.0 4,-2.3 3,-0.0 5,-0.3 0.511 360.0 131.6 77.4 7.8 14.1 39.7 42.4 196 60 H c H > S+ 0 0 10 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.950 75.8 42.6 -51.5 -51.5 14.9 39.3 38.7 197 61 H V H > S+ 0 0 19 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.945 114.8 48.0 -63.6 -46.1 11.4 40.6 37.7 198 62 H S H > S+ 0 0 63 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.894 113.9 47.6 -63.8 -39.6 11.3 43.4 40.2 199 63 H E H X S+ 0 0 103 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.906 110.7 51.7 -69.1 -39.4 14.8 44.6 39.2 200 64 H M H X S+ 0 0 19 -4,-2.7 4,-2.3 -5,-0.3 -2,-0.2 0.889 108.2 52.2 -60.1 -42.8 13.9 44.4 35.5 201 65 H L H X S+ 0 0 2 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.849 105.1 55.6 -64.4 -31.7 10.7 46.5 36.2 202 66 H D H X S+ 0 0 71 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.918 110.1 45.2 -63.4 -44.2 12.9 49.1 38.0 203 67 H L H X S+ 0 0 71 -4,-2.0 4,-3.1 2,-0.2 5,-0.3 0.880 107.6 58.3 -67.7 -38.6 15.0 49.4 34.8 204 68 H E H X S+ 0 0 2 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.947 111.8 42.7 -51.3 -46.2 11.8 49.5 32.6 205 69 H K H X S+ 0 0 18 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.897 113.9 49.5 -71.8 -40.2 10.8 52.6 34.7 206 70 H Q H X S+ 0 0 95 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.943 114.3 46.2 -65.3 -44.2 14.2 54.2 34.7 207 71 H F H X S+ 0 0 26 -4,-3.1 4,-2.5 2,-0.2 -2,-0.2 0.929 112.8 49.6 -62.5 -44.4 14.5 53.7 30.9 208 72 H S H X S+ 0 0 22 -4,-2.6 4,-2.3 -5,-0.3 -2,-0.2 0.952 112.9 46.8 -58.7 -45.8 11.0 55.1 30.3 209 73 H E H X S+ 0 0 114 -4,-2.6 4,-3.0 1,-0.2 5,-0.2 0.922 110.6 54.1 -67.8 -39.8 11.7 58.2 32.5 210 74 H L H X S+ 0 0 98 -4,-2.7 4,-2.2 -5,-0.2 -1,-0.2 0.948 107.9 47.4 -54.2 -55.7 14.9 58.7 30.7 211 75 H K H < S+ 0 0 73 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.913 115.1 48.2 -52.3 -47.4 13.3 58.7 27.2 212 76 H E H < S+ 0 0 78 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.935 110.4 49.3 -54.2 -53.4 10.7 61.2 28.6 213 77 H K H < S+ 0 0 183 -4,-3.0 2,-1.0 1,-0.3 -1,-0.2 0.836 107.5 56.4 -58.6 -36.2 13.2 63.5 30.2 214 78 H L < 0 0 121 -4,-2.2 -1,-0.3 -5,-0.2 -2,-0.1 -0.435 360.0 360.0 -89.5 57.1 15.2 63.5 26.9 215 79 H F 0 0 239 -2,-1.0 -1,-0.2 -3,-0.5 -2,-0.1 0.749 360.0 360.0 -35.2 360.0 11.9 64.7 25.2