==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=21-AUG-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 28-APR-11 3RQG . COMPND 2 MOLECULE: PROGRAMMED CELL DEATH PROTEIN 10; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR X.LI,R.ZHANG,T.J.BOGGON . 825 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 43761.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 673 81.6 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 . 1 0.1 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 . 15 1.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 102 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 543 65.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 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 4 4 1 0 3 2 2 2 0 1 2 1 0 5 3 0 1 1 0 1 1 3 2 3 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 16 A S 0 0 105 0, 0.0 677,-0.1 0, 0.0 2,-0.1 0.000 360.0 360.0 360.0 158.2 1.4 -15.9 45.3 2 17 A M > + 0 0 41 676,-0.1 3,-1.7 1,-0.1 424,-0.0 -0.556 360.0 162.7-147.3 85.9 -1.2 -13.6 43.8 3 18 A V T 3 S+ 0 0 74 1,-0.2 42,-0.4 -2,-0.1 39,-0.1 0.555 89.9 65.0 -59.1 -8.9 -4.8 -13.6 45.0 4 19 A S T >> + 0 0 21 1,-0.1 3,-1.8 2,-0.1 4,-0.9 0.474 66.4 101.1 -94.2 -5.8 -4.5 -10.3 43.1 5 20 A M H X> S+ 0 0 26 -3,-1.7 4,-3.4 1,-0.3 3,-0.6 0.866 74.8 61.6 -50.2 -43.0 -3.9 -11.8 39.6 6 21 A P H 3>>S+ 0 0 3 0, 0.0 5,-2.0 0, 0.0 4,-1.9 0.731 95.1 62.2 -59.6 -23.7 -7.5 -11.2 38.5 7 22 A L H <4>S+ 0 0 4 -3,-1.8 5,-2.3 3,-0.2 -2,-0.2 0.957 117.5 29.2 -60.4 -47.4 -7.1 -7.5 39.0 8 23 A Y H <<5S+ 0 0 38 -4,-0.9 -1,-0.1 -3,-0.6 -3,-0.1 0.852 126.3 44.1 -82.0 -36.0 -4.4 -7.6 36.3 9 24 A A H <5S+ 0 0 4 -4,-3.4 -2,-0.2 -5,-0.2 -1,-0.1 0.750 132.1 13.2 -86.5 -25.7 -5.7 -10.5 34.2 10 25 A V T X5S+ 0 0 2 -4,-1.9 4,-2.1 -5,-0.3 -3,-0.2 0.750 127.3 42.6-111.8 -55.7 -9.5 -9.6 34.1 11 26 A M H > S+ 0 0 2 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.879 111.7 56.5 -59.7 -33.7 -8.0 -5.8 30.1 14 29 A V H < S+ 0 0 0 -4,-2.1 -2,-0.2 2,-0.2 -3,-0.2 0.920 114.6 37.8 -58.6 -44.1 -11.7 -5.0 30.8 15 30 A F H >X S+ 0 0 3 -4,-2.5 3,-1.5 1,-0.2 4,-0.6 0.905 113.6 55.0 -77.2 -41.0 -10.8 -1.3 31.3 16 31 A N H >< S+ 0 0 2 -4,-3.5 3,-0.7 1,-0.3 4,-0.3 0.858 108.4 51.0 -54.9 -37.8 -8.2 -1.2 28.5 17 32 A E T 3< S+ 0 0 7 -4,-2.1 -1,-0.3 -5,-0.3 -2,-0.2 0.412 109.0 50.1 -87.2 1.3 -10.9 -2.5 26.1 18 33 A L T <> S+ 0 0 11 -3,-1.5 4,-2.1 -4,-0.1 -1,-0.2 0.387 81.2 95.8-113.2 -0.6 -13.5 0.1 27.1 19 34 A E T << S+ 0 0 11 -3,-0.7 -2,-0.1 -4,-0.6 5,-0.1 0.857 77.5 59.2 -57.6 -42.3 -11.2 3.1 26.7 20 35 A R T 4 S+ 0 0 176 -4,-0.3 3,-0.2 1,-0.2 -1,-0.2 0.927 109.4 42.3 -54.6 -51.4 -12.4 3.9 23.1 21 36 A V T 4 S- 0 0 99 1,-0.3 2,-0.3 -3,-0.2 -2,-0.2 0.951 141.6 -7.8 -62.1 -54.7 -16.0 4.3 24.2 22 37 A N X - 0 0 37 -4,-2.1 4,-0.6 1,-0.1 -1,-0.3 -0.944 57.8-179.9-147.6 133.1 -15.0 6.3 27.3 23 38 A L H > S+ 0 0 49 -2,-0.3 4,-2.6 -3,-0.2 5,-0.1 0.841 79.7 55.7 -95.9 -43.7 -11.5 6.9 28.7 24 39 A S H > S+ 0 0 59 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.909 111.6 44.7 -60.1 -47.0 -12.1 9.0 31.9 25 40 A A H > S+ 0 0 4 2,-0.2 4,-2.6 1,-0.2 5,-0.3 0.939 112.4 52.2 -63.6 -48.2 -14.5 6.5 33.4 26 41 A A H X S+ 0 0 3 -4,-0.6 4,-1.9 1,-0.2 -2,-0.2 0.886 114.1 44.8 -53.1 -44.3 -12.1 3.6 32.5 27 42 A Q H X S+ 0 0 36 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.966 112.5 48.3 -65.2 -56.0 -9.3 5.5 34.2 28 43 A T H X S+ 0 0 84 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.867 115.3 46.6 -56.0 -37.9 -11.2 6.5 37.4 29 44 A L H X S+ 0 0 2 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.860 108.9 53.0 -75.6 -38.7 -12.5 2.9 37.8 30 45 A R H X S+ 0 0 11 -4,-1.9 4,-2.3 -5,-0.3 -2,-0.2 0.947 111.4 48.9 -52.4 -50.8 -9.1 1.3 37.2 31 46 A A H X S+ 0 0 56 -4,-2.6 4,-2.2 2,-0.2 -2,-0.2 0.874 110.6 49.7 -59.6 -42.2 -7.8 3.7 39.9 32 47 A A H X S+ 0 0 11 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.949 112.6 45.7 -63.5 -51.0 -10.6 2.7 42.3 33 48 A F H X S+ 0 0 2 -4,-2.5 4,-2.9 2,-0.2 5,-0.2 0.856 113.3 50.6 -58.7 -40.3 -10.1 -1.1 41.9 34 49 A I H X S+ 0 0 40 -4,-2.3 4,-2.3 -5,-0.2 -1,-0.2 0.929 111.2 47.9 -64.3 -46.2 -6.3 -0.7 42.3 35 50 A K H X S+ 0 0 118 -4,-2.2 4,-1.7 1,-0.2 -2,-0.2 0.914 115.3 46.4 -59.5 -45.2 -6.8 1.3 45.4 36 51 A A H X S+ 0 0 5 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.882 111.6 48.9 -67.9 -42.9 -9.2 -1.3 46.7 37 52 A E H < S+ 0 0 4 -4,-2.9 6,-0.2 2,-0.2 -1,-0.2 0.894 109.9 52.8 -65.1 -41.0 -7.1 -4.4 45.9 38 53 A K H < S+ 0 0 167 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.911 116.8 38.6 -57.5 -45.3 -4.1 -2.8 47.5 39 54 A E H < S+ 0 0 111 -4,-1.7 -1,-0.2 1,-0.2 -2,-0.2 0.718 130.4 30.7 -79.0 -22.2 -6.0 -2.2 50.7 40 55 A N S >< S- 0 0 33 -4,-1.7 3,-2.6 -5,-0.1 4,-0.3 -0.516 78.4-154.8-140.8 68.0 -7.9 -5.6 50.4 41 56 A P T 3 S+ 0 0 92 0, 0.0 -37,-0.1 0, 0.0 -3,-0.1 -0.169 85.0 23.6 -49.4 128.3 -6.0 -8.4 48.7 42 57 A G T 3> S+ 0 0 13 -39,-0.1 4,-1.8 -5,-0.0 5,-0.2 0.152 90.8 108.2 99.6 -17.0 -8.4 -10.9 47.2 43 58 A L H <> S+ 0 0 14 -3,-2.6 4,-2.6 1,-0.2 5,-0.1 0.912 74.0 53.4 -59.9 -48.1 -11.3 -8.4 46.9 44 59 A T H > S+ 0 0 2 -4,-0.3 4,-2.9 1,-0.2 -1,-0.2 0.876 109.1 50.2 -58.0 -40.7 -11.3 -8.0 43.1 45 60 A Q H > S+ 0 0 18 -42,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.923 110.2 49.1 -62.3 -46.6 -11.5 -11.8 42.7 46 61 A D H X S+ 0 0 95 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.884 111.6 50.5 -62.2 -39.7 -14.5 -12.1 45.1 47 62 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.966 110.0 49.2 -59.8 -55.4 -16.1 -9.2 43.2 48 63 A I H X S+ 0 0 1 -4,-2.9 4,-2.9 1,-0.2 -2,-0.2 0.918 111.7 49.7 -49.2 -49.7 -15.6 -11.0 39.8 49 64 A M H X S+ 0 0 8 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.918 108.5 51.8 -58.6 -45.2 -17.0 -14.2 41.2 50 65 A K H < S+ 0 0 36 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.879 111.6 47.7 -59.7 -38.7 -20.1 -12.4 42.6 51 66 A I H >< S+ 0 0 4 -4,-2.3 3,-1.9 1,-0.2 -2,-0.2 0.969 111.8 49.5 -64.4 -52.8 -20.7 -10.9 39.1 52 67 A L H >< S+ 0 0 16 -4,-2.9 3,-1.2 1,-0.3 -2,-0.2 0.820 105.6 58.0 -53.8 -35.3 -20.2 -14.3 37.4 53 68 A E T 3< S+ 0 0 103 -4,-2.4 3,-0.3 1,-0.3 -1,-0.3 0.644 98.7 60.2 -72.4 -13.5 -22.7 -15.9 39.9 54 69 A K T <> + 0 0 67 -3,-1.9 4,-2.2 -4,-0.5 -1,-0.3 0.099 68.0 125.8 -97.3 19.8 -25.3 -13.4 38.7 55 70 A K H <> + 0 0 42 -3,-1.2 4,-2.4 1,-0.2 -1,-0.2 0.813 69.6 51.5 -47.3 -43.3 -25.0 -14.8 35.2 56 71 A S H > S+ 0 0 98 -3,-0.3 4,-2.9 2,-0.2 -1,-0.2 0.929 108.1 49.3 -63.6 -51.8 -28.8 -15.4 34.9 57 72 A V H > S+ 0 0 60 -3,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.924 115.4 47.3 -49.7 -46.3 -29.9 -11.9 36.0 58 73 A E H X S+ 0 0 2 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.848 110.6 48.6 -69.4 -40.0 -27.4 -10.6 33.4 59 74 A V H X S+ 0 0 26 -4,-2.4 4,-2.5 2,-0.2 -1,-0.2 0.950 110.4 53.2 -64.3 -48.6 -28.5 -12.9 30.6 60 75 A N H X S+ 0 0 99 -4,-2.9 4,-1.7 1,-0.2 -2,-0.2 0.891 111.1 46.5 -51.5 -45.0 -32.2 -12.0 31.3 61 76 A F H X S+ 0 0 14 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.889 109.5 52.1 -68.9 -40.1 -31.3 -8.3 31.0 62 77 A T H X S+ 0 0 3 -4,-2.2 4,-2.1 1,-0.2 -2,-0.2 0.896 108.5 53.4 -63.0 -38.2 -29.3 -8.7 27.8 63 78 A E H X S+ 0 0 34 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.923 110.2 46.7 -56.8 -47.2 -32.3 -10.5 26.3 64 79 A S H X S+ 0 0 36 -4,-1.7 4,-1.8 2,-0.2 -2,-0.2 0.888 109.6 53.4 -63.4 -41.2 -34.6 -7.6 27.2 65 80 A L H X S+ 0 0 19 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.881 110.6 47.7 -62.4 -39.5 -32.1 -5.1 25.8 66 81 A L H < S+ 0 0 0 -4,-2.1 4,-0.3 2,-0.2 -2,-0.2 0.887 110.5 50.4 -68.6 -41.9 -32.1 -7.0 22.5 67 82 A R H >< S+ 0 0 88 -4,-2.3 3,-0.6 1,-0.2 4,-0.4 0.816 111.8 50.3 -62.9 -32.0 -35.9 -7.2 22.4 68 83 A M H >< S+ 0 0 78 -4,-1.8 3,-0.6 1,-0.2 -1,-0.2 0.795 94.6 72.6 -74.5 -31.8 -36.0 -3.4 23.0 69 84 A A T 3< S+ 0 0 20 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.626 88.6 66.0 -62.7 -14.0 -33.5 -2.7 20.2 70 85 A A T < S+ 0 0 3 -3,-0.6 -1,-0.2 -4,-0.3 27,-0.2 0.909 71.2 94.9 -77.7 -48.5 -36.1 -3.4 17.5 71 86 A D S < S- 0 0 93 -3,-0.6 2,-0.1 -4,-0.4 -3,-0.0 -0.143 87.0 -94.5 -62.5 143.4 -38.9 -0.8 17.8 72 87 A D - 0 0 68 1,-0.1 2,-0.4 3,-0.0 -1,-0.1 -0.321 41.6-159.4 -59.4 124.4 -38.6 2.2 15.5 73 88 A V > - 0 0 70 3,-0.2 3,-1.6 -3,-0.1 2,-1.6 -0.926 25.9-111.3-111.8 132.7 -36.9 5.1 17.3 74 89 A E T 3 S+ 0 0 196 -2,-0.4 3,-0.1 1,-0.2 -2,-0.0 -0.436 102.9 59.9 -68.3 87.9 -37.3 8.8 16.1 75 90 A E T 3 S+ 0 0 130 -2,-1.6 2,-0.5 0, 0.0 -1,-0.2 0.090 96.5 55.6-173.3 -32.5 -33.8 9.5 14.8 76 91 A Y < + 0 0 31 -3,-1.6 2,-0.2 2,-0.1 -3,-0.2 -0.843 69.3 109.8-121.2 91.1 -33.3 7.0 12.0 77 92 A M - 0 0 104 -2,-0.5 2,-0.3 113,-0.1 9,-0.1 -0.797 64.2-122.0-160.1 119.0 -36.1 7.1 9.4 78 93 A I - 0 0 7 -2,-0.2 11,-0.1 7,-0.2 -2,-0.1 -0.485 13.1-159.6 -73.2 122.3 -35.4 8.4 5.8 79 94 A E + 0 0 150 -2,-0.3 -1,-0.1 115,-0.1 7,-0.0 0.861 57.0 113.3 -64.7 -40.2 -37.6 11.3 4.8 80 95 A R - 0 0 116 1,-0.1 -2,-0.1 114,-0.1 6,-0.0 -0.052 61.1-147.6 -43.8 123.9 -37.1 10.8 1.1 81 96 A P + 0 0 98 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.651 57.2 120.0 -70.9 -17.9 -40.4 9.7 -0.5 82 97 A E > - 0 0 34 1,-0.1 4,-2.0 3,-0.1 5,-0.2 -0.022 69.8-125.3 -53.6 150.8 -38.8 7.5 -3.2 83 98 A P H > S+ 0 0 101 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.846 109.1 54.6 -67.1 -35.6 -39.7 3.7 -3.3 84 99 A E H > S+ 0 0 67 2,-0.2 4,-1.1 1,-0.2 49,-0.1 0.820 110.8 45.9 -68.6 -32.9 -36.0 2.6 -3.1 85 100 A F H > S+ 0 0 4 2,-0.2 4,-1.5 1,-0.1 -7,-0.2 0.891 114.6 46.6 -73.7 -43.2 -35.5 4.6 0.1 86 101 A Q H X S+ 0 0 106 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.838 107.9 56.8 -68.4 -35.3 -38.7 3.4 1.7 87 102 A D H X S+ 0 0 66 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.890 105.7 52.4 -59.7 -41.1 -37.9 -0.2 0.7 88 103 A L H X S+ 0 0 0 -4,-1.1 4,-1.9 2,-0.2 -2,-0.2 0.886 107.0 52.4 -60.7 -42.8 -34.6 0.3 2.6 89 104 A N H X S+ 0 0 30 -4,-1.5 4,-2.4 1,-0.2 -2,-0.2 0.931 112.1 43.9 -58.4 -50.3 -36.6 1.5 5.7 90 105 A E H X S+ 0 0 142 -4,-2.1 4,-2.7 1,-0.2 -1,-0.2 0.859 113.2 50.5 -66.8 -38.0 -38.9 -1.5 5.8 91 106 A K H X S+ 0 0 51 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.822 110.2 50.8 -71.6 -32.5 -36.0 -4.0 5.1 92 107 A A H X S+ 0 0 1 -4,-1.9 4,-2.7 2,-0.2 -2,-0.2 0.943 112.1 47.2 -64.6 -49.2 -34.1 -2.5 8.0 93 108 A R H X S+ 0 0 117 -4,-2.4 4,-3.3 1,-0.2 -2,-0.2 0.906 109.9 53.5 -57.5 -45.0 -37.1 -2.8 10.2 94 109 A A H X S+ 0 0 43 -4,-2.7 4,-2.5 2,-0.2 -1,-0.2 0.914 112.0 43.8 -57.6 -47.1 -37.6 -6.4 9.1 95 110 A L H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.896 114.7 49.5 -66.0 -42.6 -34.0 -7.4 10.0 96 111 A K H X S+ 0 0 4 -4,-2.7 4,-2.1 2,-0.2 -2,-0.2 0.927 111.5 50.0 -60.7 -44.7 -34.2 -5.5 13.3 97 112 A Q H X S+ 0 0 49 -4,-3.3 4,-0.8 2,-0.2 -2,-0.2 0.965 112.9 45.0 -58.1 -53.8 -37.5 -7.2 14.1 98 113 A I H >< S+ 0 0 44 -4,-2.5 3,-0.8 1,-0.2 4,-0.3 0.886 114.3 48.5 -59.6 -43.4 -36.1 -10.7 13.4 99 114 A L H >< S+ 0 0 0 -4,-2.5 3,-1.1 1,-0.2 -1,-0.2 0.861 107.3 57.2 -64.1 -35.5 -32.8 -10.1 15.3 100 115 A S H 3< S+ 0 0 6 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.650 101.9 56.0 -70.3 -17.3 -34.8 -8.7 18.3 101 116 A K T X< S+ 0 0 103 -3,-0.8 3,-2.0 -4,-0.8 -1,-0.2 0.450 74.7 101.5 -96.7 -1.5 -36.8 -11.9 18.6 102 117 A I G X> S+ 0 0 0 -3,-1.1 4,-2.2 -4,-0.3 3,-2.0 0.849 70.2 66.3 -51.5 -41.3 -33.8 -14.2 19.0 103 118 A P G 34 S+ 0 0 4 0, 0.0 -1,-0.3 0, 0.0 4,-0.2 0.725 105.4 45.5 -55.2 -19.5 -34.1 -14.5 22.8 104 119 A D G <4 S+ 0 0 87 -3,-2.0 -2,-0.2 2,-0.1 -3,-0.1 0.300 116.7 40.1-112.0 7.1 -37.4 -16.4 22.2 105 120 A E T X4 S+ 0 0 40 -3,-2.0 3,-2.1 -4,-0.2 7,-0.5 0.614 94.6 78.9-114.8 -30.8 -36.4 -18.8 19.4 106 121 A I T 3< S+ 0 0 4 -4,-2.2 -2,-0.1 1,-0.3 6,-0.1 0.754 84.8 60.6 -59.6 -32.5 -32.9 -19.9 20.6 107 122 A N T 3 S+ 0 0 145 -4,-0.2 2,-0.6 1,-0.1 -1,-0.3 0.622 97.9 67.3 -72.2 -12.0 -34.0 -22.4 23.2 108 123 A D S <> S- 0 0 61 -3,-2.1 4,-2.5 1,-0.2 5,-0.3 -0.938 72.6-157.2-112.5 111.5 -35.8 -24.4 20.5 109 124 A R H > S+ 0 0 226 -2,-0.6 4,-1.5 1,-0.2 -1,-0.2 0.865 89.0 45.1 -53.7 -47.6 -33.3 -26.0 18.1 110 125 A V H > S+ 0 0 115 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.955 116.4 42.2 -64.7 -54.4 -35.7 -26.4 15.2 111 126 A R H > S+ 0 0 115 1,-0.2 4,-1.9 2,-0.2 -2,-0.2 0.829 112.2 55.3 -67.8 -34.1 -37.4 -23.0 15.3 112 127 A F H X S+ 0 0 5 -4,-2.5 4,-2.0 -7,-0.5 -1,-0.2 0.863 104.0 55.7 -61.7 -38.5 -34.1 -21.3 15.9 113 128 A L H X S+ 0 0 113 -4,-1.5 4,-1.7 -5,-0.3 -2,-0.2 0.877 107.3 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1,-0.2 3,-0.4 0.802 66.0 63.8 -56.5 -34.2 -14.8 -16.3 32.0 260 71 B S H 3> S+ 0 0 50 -3,-0.3 4,-2.6 1,-0.3 -1,-0.2 0.852 96.4 56.2 -64.1 -36.0 -12.2 -18.8 30.8 261 72 B V H <> S+ 0 0 8 -3,-0.9 4,-2.0 1,-0.2 -1,-0.3 0.893 111.3 46.7 -54.4 -37.2 -9.4 -16.9 32.5 262 73 B E H X S+ 0 0 2 -4,-0.9 4,-2.2 -3,-0.4 5,-0.3 0.838 108.7 51.4 -83.6 -33.1 -11.5 -17.4 35.6 263 74 B V H X S+ 0 0 32 -4,-2.1 4,-2.1 2,-0.2 5,-0.2 0.929 113.5 47.5 -63.6 -43.5 -12.1 -21.1 35.1 264 75 B N H X S+ 0 0 40 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.889 112.4 49.2 -62.3 -43.7 -8.3 -21.5 34.6 265 76 B F H X S+ 0 0 18 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.955 113.9 42.3 -65.2 -53.4 -7.5 -19.5 37.7 266 77 B T H X S+ 0 0 4 -4,-2.2 4,-1.6 2,-0.2 -1,-0.2 0.898 115.5 50.6 -62.7 -40.8 -9.8 -21.2 40.1 267 78 B E H X S+ 0 0 16 -4,-2.1 4,-2.2 -5,-0.3 3,-0.2 0.944 111.1 49.8 -58.5 -46.9 -8.9 -24.7 38.7 268 79 B S H X S+ 0 0 10 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.874 105.9 54.4 -62.7 -42.2 -5.3 -23.8 39.1 269 80 B L H < S+ 0 0 76 -4,-2.5 4,-0.4 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1,-0.2 -3,-0.1 -0.660 74.4 14.4 -77.2 128.6 -0.1 -26.8 56.1 280 91 B Y T 3 S+ 0 0 102 -2,-0.4 2,-0.9 1,-0.2 -1,-0.2 0.825 74.9 175.2 74.7 39.3 -1.2 -26.1 59.7 281 92 B M < - 0 0 45 -3,-0.8 -1,-0.2 1,-0.1 -3,-0.1 -0.660 38.9-119.0 -75.9 105.6 -0.5 -29.5 61.2 282 93 B I - 0 0 10 -2,-0.9 2,-2.1 1,-0.2 11,-0.1 -0.234 17.9-139.4 -52.6 116.5 -1.3 -28.9 64.9 283 94 B E + 0 0 197 -2,-0.0 -1,-0.2 2,-0.0 7,-0.1 -0.360 57.5 127.6 -82.1 59.6 2.0 -29.6 66.8 284 95 B R - 0 0 100 -2,-2.1 114,-0.0 2,-0.1 0, 0.0 -0.845 58.7-138.7-110.7 151.2 0.3 -31.4 69.7 285 96 B P + 0 0 108 0, 0.0 5,-0.1 0, 0.0 -1,-0.1 0.803 64.7 114.8 -78.2 -27.9 1.4 -34.8 71.0 286 97 B E > - 0 0 79 1,-0.1 4,-1.6 3,-0.1 3,-0.4 -0.048 69.4-130.1 -56.1 140.3 -2.2 -36.2 71.6 287 98 B P H > S+ 0 0 76 0, 0.0 4,-1.7 0, 0.0 -1,-0.1 0.755 109.6 52.7 -59.5 -31.2 -3.5 -39.2 69.5 288 99 B E H > S+ 0 0 50 2,-0.2 4,-2.1 1,-0.2 49,-0.1 0.823 108.7 50.1 -74.0 -34.0 -6.7 -37.3 68.6 289 100 B F H > S+ 0 0 2 -3,-0.4 4,-1.6 2,-0.2 -1,-0.2 0.776 109.3 51.6 -72.2 -30.5 -4.7 -34.3 67.4 290 101 B Q H X S+ 0 0 118 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.906 112.8 46.3 -65.4 -43.5 -2.6 -36.8 65.3 291 102 B D H X S+ 0 0 71 -4,-1.7 4,-1.9 2,-0.2 -2,-0.2 0.836 109.5 53.2 -69.2 -37.5 -5.9 -38.1 63.9 292 103 B L H X S+ 0 0 1 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.904 110.1 48.0 -66.0 -43.5 -7.3 -34.6 63.3 293 104 B N H X S+ 0 0 20 -4,-1.6 4,-3.0 2,-0.2 5,-0.2 0.925 111.2 50.8 -58.3 -49.4 -4.3 -33.6 61.3 294 105 B E H X S+ 0 0 100 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.855 112.6 44.5 -60.4 -41.7 -4.4 -36.8 59.2 295 106 B K H X S+ 0 0 60 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.798 113.6 52.1 -75.2 -29.6 -8.0 -36.4 58.3 296 107 B A H X S+ 0 0 0 -4,-1.7 4,-1.8 -5,-0.2 -2,-0.2 0.935 112.9 42.9 -69.4 -48.6 -7.5 -32.7 57.5 297 108 B R H X S+ 0 0 41 -4,-3.0 4,-1.8 1,-0.2 -2,-0.2 0.914 111.7 55.6 -63.9 -42.4 -4.6 -33.3 55.2 298 109 B A H X S+ 0 0 37 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.889 108.1 47.3 -58.1 -45.2 -6.4 -36.3 53.5 299 110 B L H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.908 110.6 52.3 -63.0 -43.1 -9.5 -34.2 52.6 300 111 B K H X S+ 0 0 1 -4,-1.8 4,-1.2 1,-0.2 -1,-0.2 0.809 110.1 49.5 -63.2 -31.2 -7.3 -31.4 51.2 301 112 B Q H X S+ 0 0 80 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.898 111.7 47.2 -73.4 -42.2 -5.5 -33.9 49.1 302 113 B I H < S+ 0 0 38 -4,-2.0 3,-0.4 1,-0.2 4,-0.2 0.834 111.3 51.2 -70.6 -33.2 -8.7 -35.4 47.7 303 114 B L H >< S+ 0 0 0 -4,-2.3 3,-1.1 1,-0.2 -1,-0.2 0.858 106.3 54.5 -70.1 -35.2 -10.2 -32.0 47.0 304 115 B S H 3< S+ 0 0 7 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.611 102.4 58.9 -75.7 -11.7 -7.1 -31.0 45.0 305 116 B K T >X S+ 0 0 106 -4,-0.5 4,-1.5 -3,-0.4 3,-1.4 0.501 78.6 95.2 -91.3 -6.8 -7.5 -34.1 42.8 306 117 B I H <> S+ 0 0 0 -3,-1.1 4,-1.3 1,-0.3 -1,-0.2 0.878 74.4 60.2 -51.4 -48.1 -11.0 -33.0 41.7 307 118 B P H 34 S+ 0 0 5 0, 0.0 4,-0.4 0, 0.0 -1,-0.3 0.739 109.0 46.5 -57.3 -21.4 -9.8 -31.3 38.4 308 119 B D H <4 S+ 0 0 63 -3,-1.4 4,-0.3 1,-0.1 -2,-0.2 0.878 116.5 40.2 -83.7 -41.3 -8.4 -34.7 37.3 309 120 B E H < S+ 0 0 47 -4,-1.5 10,-0.1 1,-0.2 -3,-0.1 0.480 101.0 77.3 -87.4 -3.6 -11.4 -36.9 38.2 310 121 B I S < S+ 0 0 0 -4,-1.3 6,-0.2 -5,-0.2 -1,-0.2 0.895 78.8 59.3 -82.1 -45.4 -14.1 -34.5 37.0 311 122 B N S S+ 0 0 135 -4,-0.4 2,-1.3 -3,-0.2 -1,-0.2 0.847 97.0 64.6 -59.8 -41.3 -14.3 -34.6 33.2 312 123 B D S > S- 0 0 60 -4,-0.3 4,-1.3 1,-0.2 -1,-0.2 -0.756 76.3-166.4 -78.3 95.5 -15.1 -38.3 33.1 313 124 B R H > S+ 0 0 146 -2,-1.3 4,-1.2 1,-0.2 -1,-0.2 0.753 83.2 57.6 -60.0 -27.5 -18.4 -37.9 34.9 314 125 B V H > S+ 0 0 105 1,-0.2 4,-0.8 2,-0.2 3,-0.4 0.957 110.3 41.5 -65.0 -51.9 -18.6 -41.7 35.5 315 126 B R H 4 S+ 0 0 131 1,-0.2 4,-0.2 2,-0.2 -2,-0.2 0.628 106.5 65.7 -72.9 -14.6 -15.2 -41.7 37.4 316 127 B F H >X S+ 0 0 0 -4,-1.3 4,-2.1 -6,-0.2 3,-1.3 0.885 94.9 57.6 -70.6 -40.6 -16.3 -38.5 39.2 317 128 B L H 3X S+ 0 0 90 -4,-1.2 4,-1.3 -3,-0.4 -2,-0.2 0.851 103.2 53.2 -54.2 -39.2 -19.1 -40.4 40.9 318 129 B Q H 3X S+ 0 0 118 -4,-0.8 4,-0.7 1,-0.2 -1,-0.3 0.598 110.3 48.5 -75.3 -11.6 -16.5 -42.7 42.4 319 130 B T H <> S+ 0 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