==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 14-JAN-03 1NNQ . COMPND 2 MOLECULE: RUBRERYTHRIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS FURIOSUS; . AUTHOR Z.-J.LIU,W.TEMPEL,F.D.SCHUBOT,A.SHAH,W.B.ARENDALL III,J.P.RO . 340 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14858.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 268 78.8 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 . 20 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.2 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 . 9 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 5.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 208 61.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 3.5 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 1 1 0 0 0 0 2 0 0 0 0 0 0 2 0 0 0 0 2 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 . 2 0 4 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 2 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 2 A V 0 0 113 0, 0.0 2,-0.2 0, 0.0 61,-0.2 0.000 360.0 360.0 360.0 129.8 93.4 40.7 32.1 2 3 A V + 0 0 3 59,-2.8 268,-0.0 1,-0.1 3,-0.0 -0.494 360.0 163.7 -62.0 130.1 96.2 40.2 29.5 3 4 A K + 0 0 113 -2,-0.2 -1,-0.1 5,-0.0 2,-0.0 0.642 35.5 104.8-123.4 -30.4 99.7 40.4 31.2 4 5 A R S > S- 0 0 127 1,-0.1 4,-2.6 264,-0.1 5,-0.2 -0.350 70.7-130.1 -58.4 132.8 102.3 38.9 28.7 5 6 A T H > S+ 0 0 111 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.903 101.1 43.5 -54.1 -53.4 104.3 41.8 27.2 6 7 A M H > S+ 0 0 99 2,-0.2 4,-3.2 1,-0.2 -1,-0.2 0.945 115.5 48.3 -61.4 -49.8 104.0 40.8 23.5 7 8 A T H > S+ 0 0 2 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.922 112.4 49.6 -57.4 -46.0 100.3 40.0 23.7 8 9 A K H X S+ 0 0 67 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.944 112.3 47.4 -55.5 -53.4 99.6 43.2 25.5 9 10 A K H X S+ 0 0 63 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.916 112.2 50.7 -52.5 -47.5 101.6 45.2 22.9 10 11 A F H X S+ 0 0 50 -4,-3.2 4,-2.6 1,-0.2 -2,-0.2 0.917 111.4 46.7 -61.6 -43.5 99.7 43.4 20.1 11 12 A L H X S+ 0 0 2 -4,-2.9 4,-2.9 2,-0.2 -1,-0.2 0.863 109.8 54.1 -68.5 -37.4 96.3 44.1 21.6 12 13 A E H X S+ 0 0 74 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.906 110.9 46.2 -54.9 -44.9 97.3 47.8 22.1 13 14 A E H X S+ 0 0 93 -4,-2.3 4,-2.9 2,-0.2 -2,-0.2 0.913 112.6 50.3 -68.7 -39.9 98.2 47.9 18.4 14 15 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.902 108.5 52.2 -62.7 -43.8 94.9 46.2 17.5 15 16 A F H X S+ 0 0 11 -4,-2.9 4,-2.2 2,-0.2 -2,-0.2 0.919 112.1 45.7 -55.9 -47.9 93.0 48.7 19.7 16 17 A A H X S+ 0 0 10 -4,-2.2 4,-2.5 2,-0.2 -2,-0.2 0.943 113.8 51.1 -57.4 -46.1 94.7 51.5 17.8 17 18 A G H X S+ 0 0 14 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.876 111.3 45.4 -62.2 -42.3 93.9 49.7 14.5 18 19 A E H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 -1,-0.2 0.853 111.2 53.5 -71.7 -37.3 90.3 49.2 15.3 19 20 A S H X S+ 0 0 0 -4,-2.2 4,-2.5 -5,-0.2 -2,-0.2 0.939 110.0 47.7 -61.0 -47.3 89.9 52.8 16.5 20 21 A M H X S+ 0 0 38 -4,-2.5 4,-3.3 2,-0.2 -2,-0.2 0.920 112.9 47.9 -60.2 -42.3 91.4 54.1 13.2 21 22 A A H X S+ 0 0 2 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.911 111.0 50.4 -67.7 -44.1 89.1 51.9 11.1 22 23 A H H X S+ 0 0 11 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.926 114.4 45.9 -54.6 -47.6 86.0 52.9 13.1 23 24 A M H X S+ 0 0 0 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.921 110.9 51.2 -66.7 -46.1 87.0 56.5 12.5 24 25 A R H X S+ 0 0 64 -4,-3.3 4,-2.8 1,-0.2 -1,-0.2 0.937 110.2 51.4 -53.8 -46.4 87.8 56.1 8.8 25 26 A Y H X S+ 0 0 2 -4,-2.8 4,-1.9 1,-0.2 -1,-0.2 0.832 107.9 50.0 -65.5 -34.6 84.4 54.4 8.3 26 27 A L H X S+ 0 0 39 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.830 113.5 46.6 -69.5 -33.5 82.5 57.3 10.0 27 28 A I H X S+ 0 0 2 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.882 113.8 49.0 -72.8 -39.7 84.3 59.8 7.8 28 29 A F H X S+ 0 0 1 -4,-2.8 4,-2.4 -5,-0.2 -2,-0.2 0.845 107.7 54.7 -68.2 -34.9 83.6 57.6 4.8 29 30 A A H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.938 107.4 49.5 -64.9 -48.1 79.9 57.3 5.8 30 31 A E H X S+ 0 0 45 -4,-1.6 4,-1.8 1,-0.2 -1,-0.2 0.892 112.8 48.0 -54.8 -44.6 79.5 61.1 5.9 31 32 A K H X S+ 0 0 59 -4,-1.8 4,-1.4 1,-0.2 -2,-0.2 0.873 109.3 52.7 -65.6 -39.3 81.2 61.4 2.4 32 33 A A H <>S+ 0 0 0 -4,-2.4 5,-2.9 2,-0.2 4,-0.2 0.863 108.0 51.4 -63.8 -36.3 79.0 58.6 1.0 33 34 A E H ><5S+ 0 0 65 -4,-2.1 3,-1.3 3,-0.2 -2,-0.2 0.921 108.7 51.2 -65.6 -44.7 75.9 60.5 2.2 34 35 A Q H 3<5S+ 0 0 135 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.768 109.7 50.0 -63.6 -30.7 77.1 63.7 0.5 35 36 A E T 3<5S- 0 0 66 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.382 123.1-104.3 -88.2 0.3 77.7 61.8 -2.8 36 37 A G T < 5S+ 0 0 52 -3,-1.3 -3,-0.2 -4,-0.2 -2,-0.1 0.854 84.6 121.5 78.9 37.5 74.1 60.3 -2.6 37 38 A F >< + 0 0 20 -5,-2.9 4,-2.3 -8,-0.1 3,-0.4 -0.626 25.2 162.3-120.5 73.1 74.9 56.7 -1.6 38 39 A P H > S+ 0 0 62 0, 0.0 4,-2.0 0, 0.0 -1,-0.1 0.793 74.6 52.3 -66.8 -30.4 72.8 56.6 1.7 39 40 A N H > S+ 0 0 44 2,-0.2 4,-1.9 265,-0.2 266,-0.1 0.818 110.2 47.5 -72.2 -34.6 72.8 52.8 1.8 40 41 A I H > S+ 0 0 0 -3,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.870 109.8 54.7 -70.4 -39.4 76.6 52.6 1.5 41 42 A A H X S+ 0 0 1 -4,-2.3 4,-2.0 2,-0.2 -2,-0.2 0.913 109.0 47.2 -54.8 -47.6 76.7 55.3 4.2 42 43 A K H X S+ 0 0 76 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.875 109.4 54.7 -59.7 -42.2 74.6 52.9 6.4 43 44 A L H X S+ 0 0 6 -4,-1.9 4,-2.3 1,-0.2 -2,-0.2 0.939 109.4 46.8 -58.5 -48.7 77.0 50.1 5.5 44 45 A F H X S+ 0 0 0 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.874 112.2 49.5 -58.8 -44.7 80.0 52.1 6.7 45 46 A R H X S+ 0 0 99 -4,-2.0 4,-1.3 2,-0.2 -1,-0.2 0.871 112.1 48.3 -64.7 -40.0 78.3 53.2 10.0 46 47 A A H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 3,-0.3 0.930 112.7 46.4 -67.5 -49.4 77.3 49.6 10.8 47 48 A I H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.878 108.0 58.7 -60.1 -36.4 80.7 48.2 10.1 48 49 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.855 103.8 52.0 -58.1 -36.5 82.1 51.1 12.2 49 50 A Y H X S+ 0 0 49 -4,-1.3 4,-2.1 -3,-0.3 -1,-0.2 0.879 105.9 53.8 -67.9 -37.1 80.0 49.7 15.1 50 51 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.915 107.8 49.8 -60.9 -44.5 81.5 46.3 14.5 51 52 A E H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -1,-0.2 0.854 108.2 54.0 -60.7 -38.3 85.0 47.9 14.8 52 53 A F H X S+ 0 0 10 -4,-1.8 4,-2.7 2,-0.2 -1,-0.2 0.891 107.8 50.4 -58.7 -45.0 83.8 49.6 18.1 53 54 A V H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.964 112.5 46.5 -58.9 -51.6 82.8 46.1 19.4 54 55 A H H X S+ 0 0 1 -4,-2.5 4,-1.9 1,-0.2 -2,-0.2 0.918 113.8 47.3 -56.5 -46.6 86.2 44.8 18.5 55 56 A A H X S+ 0 0 0 -4,-2.9 4,-2.8 2,-0.2 -1,-0.2 0.897 110.4 52.8 -64.0 -41.3 88.1 47.7 20.1 56 57 A K H X S+ 0 0 28 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.945 107.9 51.6 -61.9 -48.3 85.9 47.5 23.2 57 58 A N H X S+ 0 0 28 -4,-2.6 4,-2.5 1,-0.2 -1,-0.2 0.902 113.1 44.1 -50.2 -45.5 86.8 43.8 23.6 58 59 A H H X S+ 0 0 0 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.912 113.4 51.9 -68.4 -41.9 90.5 44.5 23.3 59 60 A F H <>S+ 0 0 2 -4,-2.8 5,-2.3 2,-0.2 6,-0.3 0.854 113.2 43.4 -60.9 -43.4 90.2 47.5 25.6 60 61 A I H ><5S+ 0 0 80 -4,-2.7 3,-2.2 1,-0.2 5,-0.2 0.927 110.2 55.7 -71.2 -45.9 88.4 45.4 28.3 61 62 A A H 3<5S+ 0 0 8 -4,-2.5 -59,-2.8 1,-0.3 -2,-0.2 0.716 106.0 53.0 -56.5 -25.2 90.8 42.5 27.9 62 63 A L T 3<5S- 0 0 7 -4,-1.2 -1,-0.3 -61,-0.2 -2,-0.2 0.431 116.2-118.4 -90.5 -4.7 93.7 44.9 28.6 63 64 A G T < 5S+ 0 0 44 -3,-2.2 -3,-0.2 -5,-0.1 -2,-0.1 0.717 74.4 129.1 82.3 25.3 92.0 46.0 31.8 64 65 A K < + 0 0 74 -5,-2.3 2,-0.6 2,-0.1 -4,-0.2 0.486 45.5 87.3-100.6 -1.8 91.6 49.6 30.8 65 66 A L + 0 0 47 -6,-0.3 2,-0.1 -5,-0.2 3,-0.1 -0.866 52.1 146.3 -97.9 117.7 87.9 50.0 31.6 66 67 A G - 0 0 30 -2,-0.6 2,-0.2 1,-0.2 -2,-0.1 -0.304 51.5 -43.8-120.6-147.8 87.1 50.9 35.2 67 68 A K >> - 0 0 144 -2,-0.1 4,-2.6 1,-0.1 3,-0.9 -0.492 62.4 -97.9 -83.2 157.6 84.5 52.9 37.0 68 69 A T H 3> S+ 0 0 0 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.810 121.2 52.4 -44.9 -45.2 83.3 56.3 35.7 69 70 A P H 3> S+ 0 0 31 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.898 113.7 43.4 -63.4 -38.5 85.5 58.4 38.1 70 71 A E H <> S+ 0 0 58 -3,-0.9 4,-2.1 2,-0.2 -2,-0.2 0.895 112.4 52.6 -71.0 -39.8 88.7 56.5 37.0 71 72 A N H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 -1,-0.2 0.935 109.1 51.1 -58.7 -43.9 87.6 56.6 33.3 72 73 A L H X S+ 0 0 0 -4,-2.7 4,-2.6 -5,-0.3 -1,-0.2 0.887 107.4 52.6 -62.0 -41.7 87.2 60.4 33.8 73 74 A Q H X S+ 0 0 61 -4,-1.8 4,-1.9 2,-0.2 -1,-0.2 0.853 106.9 52.5 -58.9 -38.4 90.7 60.5 35.3 74 75 A M H X S+ 0 0 55 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.881 110.8 49.3 -64.7 -39.1 92.1 58.7 32.1 75 76 A G H X S+ 0 0 2 -4,-2.1 4,-2.7 2,-0.2 5,-0.3 0.922 108.3 51.7 -61.5 -48.0 90.3 61.4 30.1 76 77 A I H X S+ 0 0 10 -4,-2.6 4,-1.8 1,-0.2 -2,-0.2 0.880 112.4 46.9 -59.1 -39.2 91.8 64.2 32.1 77 78 A E H X S+ 0 0 119 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.893 112.4 47.8 -68.5 -47.8 95.3 62.7 31.6 78 79 A G H X S+ 0 0 23 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.918 114.4 46.7 -57.9 -49.0 95.0 62.1 27.9 79 80 A E H X S+ 0 0 1 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.886 111.9 51.2 -60.5 -42.1 93.6 65.7 27.3 80 81 A T H X S+ 0 0 31 -4,-1.8 4,-2.5 -5,-0.3 5,-0.3 0.834 107.6 51.5 -68.6 -37.2 96.3 67.2 29.5 81 82 A F H X>S+ 0 0 106 -4,-1.9 4,-2.5 2,-0.2 5,-2.0 0.936 112.6 47.5 -64.1 -42.9 99.1 65.4 27.5 82 83 A E H <>S+ 0 0 11 -4,-2.0 5,-1.8 3,-0.2 -2,-0.2 0.859 117.3 42.0 -62.4 -42.7 97.5 66.8 24.3 83 84 A V H <5S+ 0 0 29 -4,-2.4 -2,-0.2 30,-0.1 -1,-0.2 0.898 125.7 31.2 -68.4 -46.9 97.2 70.3 25.7 84 85 A E H <5S+ 0 0 140 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.785 136.2 8.8 -91.4 -30.7 100.6 70.5 27.4 85 86 A E T X5S+ 0 0 121 -4,-2.5 4,-1.3 -5,-0.3 -3,-0.2 0.800 120.0 41.7-116.9 -62.5 102.8 68.3 25.3 86 87 A M H > S+ 0 0 49 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.942 115.3 42.7 -56.1 -42.9 102.0 72.7 21.0 89 90 A V H X S+ 0 0 82 -4,-1.3 4,-2.0 2,-0.2 -2,-0.2 0.911 116.5 44.8 -68.7 -45.8 104.9 70.7 19.7 90 91 A Y H X S+ 0 0 33 -4,-2.6 4,-2.5 2,-0.2 -1,-0.2 0.894 113.9 52.0 -64.5 -41.3 103.1 69.4 16.5 91 92 A N H X S+ 0 0 31 -4,-2.7 4,-2.2 -5,-0.2 -2,-0.2 0.927 110.7 47.3 -59.9 -48.8 101.7 72.9 15.9 92 93 A K H X S+ 0 0 66 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.834 112.3 48.9 -62.6 -36.0 105.2 74.4 16.2 93 94 A A H X S+ 0 0 20 -4,-2.0 4,-2.1 2,-0.2 6,-0.2 0.911 110.1 52.1 -72.2 -42.0 106.7 71.8 13.8 94 95 A A H <>S+ 0 0 1 -4,-2.5 5,-2.6 2,-0.2 -2,-0.2 0.930 113.5 43.8 -54.2 -48.8 103.9 72.4 11.3 95 96 A E H ><5S+ 0 0 124 -4,-2.2 3,-1.7 1,-0.2 -2,-0.2 0.940 113.2 51.1 -65.0 -44.3 104.6 76.1 11.5 96 97 A F H 3<5S+ 0 0 179 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.811 112.4 47.5 -62.4 -29.5 108.4 75.6 11.3 97 98 A Q T 3<5S- 0 0 25 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.321 113.1-117.4 -95.7 6.3 107.8 73.3 8.2 98 99 A G T < 5 + 0 0 63 -3,-1.7 2,-1.3 1,-0.2 -3,-0.2 0.678 64.1 147.4 64.9 23.9 105.5 75.8 6.5 99 100 A E >< + 0 0 27 -5,-2.6 4,-2.1 -6,-0.2 3,-0.4 -0.642 20.6 177.8 -94.8 82.6 102.6 73.3 6.6 100 101 A K H > S+ 0 0 75 -2,-1.3 4,-2.0 1,-0.3 -1,-0.2 0.771 75.3 53.1 -62.6 -34.2 99.7 75.8 7.0 101 102 A E H > S+ 0 0 28 2,-0.2 4,-2.2 1,-0.2 -1,-0.3 0.892 110.5 47.4 -70.2 -39.9 96.9 73.2 6.9 102 103 A A H > S+ 0 0 0 -3,-0.4 4,-2.0 2,-0.2 5,-0.3 0.846 108.0 56.6 -66.9 -33.1 98.6 71.2 9.7 103 104 A V H X S+ 0 0 46 -4,-2.1 4,-1.5 -9,-0.2 -2,-0.2 0.929 110.4 47.7 -61.5 -42.8 99.0 74.5 11.6 104 105 A R H X S+ 0 0 119 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.929 112.0 44.4 -60.9 -51.6 95.3 74.9 11.3 105 106 A T H X S+ 0 0 2 -4,-2.2 4,-2.3 1,-0.2 -1,-0.2 0.848 114.2 49.6 -72.4 -32.4 94.1 71.4 12.4 106 107 A T H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.815 112.2 48.6 -71.3 -32.3 96.5 71.3 15.4 107 108 A H H X S+ 0 0 80 -4,-1.5 4,-2.0 -5,-0.3 5,-0.2 0.887 110.8 50.8 -74.6 -38.7 95.3 74.7 16.5 108 109 A Y H X S+ 0 0 36 -4,-2.4 4,-1.4 2,-0.2 -2,-0.2 0.962 115.8 42.1 -59.5 -48.6 91.7 73.7 16.1 109 110 A A H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 3,-0.2 0.945 111.5 54.4 -64.4 -50.7 92.4 70.5 18.2 110 111 A L H X S+ 0 0 17 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.907 107.2 49.0 -52.3 -53.9 94.5 72.3 20.9 111 112 A E H X S+ 0 0 62 -4,-2.0 4,-0.8 1,-0.2 -1,-0.2 0.876 113.9 47.1 -57.0 -38.5 92.0 74.9 21.7 112 113 A A H >X S+ 0 0 1 -4,-1.4 4,-1.9 32,-0.2 3,-0.5 0.862 105.4 57.7 -73.3 -38.5 89.2 72.3 22.1 113 114 A E H 3X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.818 98.5 62.3 -58.3 -33.7 91.3 69.9 24.3 114 115 A K H 3X S+ 0 0 95 -4,-1.5 4,-1.2 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-0.313 70.7-131.7 -56.5 129.4 106.8 67.4 4.7 176 6 B T H > S+ 0 0 107 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.879 100.1 45.1 -51.3 -49.4 107.8 64.0 6.2 177 7 B M H > S+ 0 0 83 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.955 114.4 45.4 -66.3 -50.8 107.8 65.1 9.9 178 8 B T H > S+ 0 0 2 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.874 113.9 51.5 -59.3 -40.6 104.5 67.0 10.0 179 9 B K H X S+ 0 0 65 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.930 109.8 47.9 -61.2 -51.1 102.8 64.2 8.1 180 10 B K H X S+ 0 0 109 -4,-2.2 4,-1.9 -5,-0.2 -2,-0.2 0.902 112.7 50.9 -57.6 -40.2 104.1 61.6 10.5 181 11 B F H X S+ 0 0 43 -4,-2.5 4,-2.7 2,-0.2 -2,-0.2 0.916 110.0 48.1 -64.7 -45.6 102.9 63.9 13.4 182 12 B L H X S+ 0 0 2 -4,-2.8 4,-2.8 2,-0.2 -1,-0.2 0.883 109.5 53.8 -59.9 -40.5 99.4 64.3 11.8 183 13 B E H X S+ 0 0 75 -4,-2.5 4,-2.0 2,-0.2 -2,-0.2 0.878 111.3 45.9 -61.4 -38.5 99.3 60.5 11.4 184 14 B E H X S+ 0 0 100 -4,-1.9 4,-3.1 2,-0.2 -2,-0.2 0.909 112.4 50.0 -71.5 -40.6 100.0 60.1 15.1 185 15 B A H X S+ 0 0 0 -4,-2.7 4,-2.8 2,-0.2 -2,-0.2 0.878 109.5 51.1 -64.5 -39.7 97.5 62.8 16.0 186 16 B F H X S+ 0 0 9 -4,-2.8 4,-2.2 2,-0.2 -1,-0.2 0.909 111.7 48.0 -63.4 -42.8 94.8 61.0 13.8 187 17 B A H X S+ 0 0 9 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.956 114.1 46.5 -58.8 -50.3 95.7 57.7 15.7 188 18 B G H X S+ 0 0 11 -4,-3.1 4,-2.1 1,-0.2 -2,-0.2 0.866 112.8 49.2 -61.2 -37.7 95.4 59.5 19.1 189 19 B E H X S+ 0 0 0 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.885 110.6 51.1 -70.2 -39.5 92.2 61.3 18.1 190 20 B S H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.905 112.1 46.0 -62.1 -45.4 90.7 57.9 16.9 191 21 B M H X S+ 0 0 35 -4,-2.2 4,-3.2 2,-0.2 -2,-0.2 0.886 111.6 51.4 -67.1 -38.0 91.6 56.2 20.2 192 22 B A H X S+ 0 0 2 -4,-2.1 4,-2.6 2,-0.2 -2,-0.2 0.923 111.3 48.0 -65.5 -43.9 90.3 59.1 22.3 193 23 B H H X S+ 0 0 8 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.904 113.8 47.5 -57.9 -47.4 87.0 59.0 20.5 194 24 B M H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.944 111.6 49.5 -61.3 -51.2 86.8 55.2 20.9 195 25 B R H X S+ 0 0 52 -4,-3.2 4,-3.1 1,-0.2 -2,-0.2 0.908 110.6 51.3 -53.2 -46.1 87.7 55.4 24.6 196 26 B Y H X S+ 0 0 3 -4,-2.6 4,-1.8 1,-0.2 -1,-0.2 0.868 108.6 50.4 -65.9 -33.9 85.0 58.1 25.1 197 27 B L H X S+ 0 0 42 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.881 113.5 46.0 -68.2 -39.0 82.4 55.9 23.4 198 28 B I H X S+ 0 0 1 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.907 113.8 48.5 -66.7 -43.4 83.4 53.0 25.7 199 29 B F H X S+ 0 0 0 -4,-3.1 4,-2.1 -5,-0.2 -2,-0.2 0.824 107.4 57.2 -66.9 -31.0 83.3 55.2 28.7 200 30 B A H X S+ 0 0 6 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.940 106.3 47.5 -62.7 -51.3 79.9 56.6 27.7 201 31 B E H X S+ 0 0 64 -4,-1.6 4,-1.9 1,-0.2 -1,-0.2 0.874 114.1 48.3 -59.1 -41.4 78.3 53.1 27.6 202 32 B K H X S+ 0 0 57 -4,-1.8 4,-1.6 2,-0.2 -1,-0.2 0.851 107.7 54.6 -68.4 -35.8 79.9 52.4 31.1 203 33 B A H <>S+ 0 0 0 -4,-2.1 5,-2.4 2,-0.2 -2,-0.2 0.909 108.6 48.8 -67.3 -38.9 78.7 55.7 32.5 204 34 B E H ><5S+ 0 0 56 -4,-2.2 3,-2.1 1,-0.2 -2,-0.2 0.951 109.0 52.2 -64.3 -50.0 75.1 55.0 31.5 205 35 B Q H 3<5S+ 0 0 140 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.819 109.3 51.7 -52.3 -35.4 75.2 51.5 33.1 206 36 B E T 3<5S- 0 0 69 -4,-1.6 -1,-0.3 -5,-0.1 -2,-0.2 0.412 125.3-101.8 -85.2 2.4 76.5 53.1 36.3 207 37 B G T < 5S+ 0 0 51 -3,-2.1 -3,-0.2 -4,-0.2 -75,-0.1 0.867 86.8 120.5 77.5 40.4 73.6 55.6 36.4 208 38 B F >< + 0 0 20 -5,-2.4 4,-2.4 -8,-0.1 3,-0.2 -0.535 24.0 160.7-125.8 67.4 75.4 58.7 35.1 209 39 B P H > S+ 0 0 82 0, 0.0 4,-2.3 0, 0.0 -5,-0.1 0.827 75.4 50.8 -62.0 -34.5 73.3 59.5 31.9 210 40 B N H > S+ 0 0 40 2,-0.2 4,-2.1 -77,-0.2 5,-0.1 0.887 109.9 48.3 -70.0 -40.7 74.6 63.1 31.8 211 41 B I H > S+ 0 0 0 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.905 110.7 53.0 -62.8 -41.1 78.2 62.1 32.1 212 42 B A H X S+ 0 0 9 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.932 107.9 50.8 -53.7 -49.0 77.5 59.6 29.3 213 43 B K H X S+ 0 0 24 -4,-2.3 4,-2.3 1,-0.2 -2,-0.2 0.884 110.2 50.0 -55.6 -41.1 76.1 62.5 27.2 214 44 B L H X S+ 0 0 4 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.889 109.7 50.4 -68.1 -41.6 79.3 64.5 27.9 215 45 B F H X S+ 0 0 0 -4,-2.6 4,-2.3 2,-0.2 -2,-0.2 0.919 112.6 46.7 -57.0 -47.7 81.4 61.5 26.8 216 46 B R 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