==== 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 TRANSCRIPTION 07-JAN-05 1WWM . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN TT2028; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR E.MIZOHATA,R.USHIKOSHI-NAKAYAMA,T.TERADA,K.MURAYAMA,H.SAKAI, . 341 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17162.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 276 80.9 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 . 10 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 38 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 225 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 0 3 0 0 0 1 0 3 1 1 0 1 1 0 3 1 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 11 A E 0 0 168 0, 0.0 161,-0.0 0, 0.0 164,-0.0 0.000 360.0 360.0 360.0 105.6 9.5 70.8 57.7 2 12 A V - 0 0 54 160,-0.1 2,-0.0 163,-0.0 163,-0.0 -0.789 360.0 -83.5-160.7 106.4 10.0 74.4 57.0 3 13 A P S S+ 0 0 95 0, 0.0 163,-0.0 0, 0.0 0, 0.0 0.083 73.5 4.3 167.7 106.7 8.2 75.2 54.5 4 14 A G S > S+ 0 0 30 -2,-0.0 4,-1.4 0, 0.0 0, 0.0 -0.122 92.1 86.0 109.2 -40.6 7.1 75.7 50.8 5 15 A L H > S+ 0 0 21 2,-0.2 4,-1.9 1,-0.2 5,-0.2 0.908 89.3 52.2 -60.3 -44.4 10.0 73.9 49.1 6 16 A L H > S+ 0 0 22 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.942 108.7 49.6 -57.3 -49.8 8.3 70.5 49.4 7 17 A E H > S+ 0 0 105 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.801 106.5 60.4 -60.5 -29.1 5.1 71.8 47.9 8 18 A E H >X S+ 0 0 83 -4,-1.4 4,-1.0 2,-0.2 3,-0.6 0.992 102.2 47.6 -60.6 -64.1 7.2 73.2 45.1 9 19 A I H >< S+ 0 0 2 -4,-1.9 3,-0.8 1,-0.3 -1,-0.2 0.865 113.4 51.2 -44.5 -43.7 8.6 69.9 43.9 10 20 A K H 3< S+ 0 0 54 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.900 103.9 56.3 -63.1 -42.5 5.1 68.5 44.0 11 21 A A H << S+ 0 0 80 -4,-2.1 -1,-0.2 -3,-0.6 -2,-0.2 0.633 79.0 130.6 -66.5 -14.4 3.7 71.4 41.9 12 22 A L << - 0 0 23 -4,-1.0 2,-2.0 -3,-0.8 -3,-0.0 -0.089 65.7-127.0 -45.5 132.4 6.2 70.6 39.1 13 23 A P + 0 0 92 0, 0.0 -1,-0.2 0, 0.0 2,-0.1 -0.431 48.3 171.9 -80.8 61.6 4.6 70.4 35.6 14 24 A L - 0 0 21 -2,-2.0 2,-0.5 166,-0.1 166,-0.2 -0.425 30.9-151.2 -79.4 151.0 6.1 67.0 35.0 15 25 A R - 0 0 183 164,-1.2 2,-0.5 -2,-0.1 -1,-0.0 -0.892 16.3-150.8-121.8 96.7 5.4 64.6 32.1 16 26 A L + 0 0 45 -2,-0.5 2,-0.4 103,-0.1 164,-0.0 -0.574 21.4 171.7 -75.7 119.6 5.9 61.0 33.1 17 27 A D > - 0 0 83 -2,-0.5 4,-3.2 1,-0.2 5,-0.3 -0.992 35.0-130.1-129.1 132.2 6.9 58.8 30.3 18 28 A E H > S+ 0 0 76 -2,-0.4 4,-3.0 2,-0.2 5,-0.2 0.928 107.5 33.5 -43.3 -68.7 8.1 55.1 30.6 19 29 A E H > S+ 0 0 159 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 120.5 51.2 -57.1 -46.1 11.3 55.3 28.6 20 30 A R H > S+ 0 0 91 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.840 114.3 44.2 -61.7 -34.8 12.0 58.9 29.6 21 31 A F H X S+ 0 0 0 -4,-3.2 4,-1.9 2,-0.2 -2,-0.2 0.890 108.9 56.1 -77.4 -42.6 11.5 57.9 33.3 22 32 A R H X S+ 0 0 74 -4,-3.0 4,-2.2 -5,-0.3 3,-0.2 0.922 108.0 48.9 -54.7 -46.3 13.6 54.8 33.0 23 33 A F H X S+ 0 0 119 -4,-2.4 4,-2.0 1,-0.2 -1,-0.2 0.925 108.4 54.5 -59.0 -44.5 16.5 56.9 31.6 24 34 A W H < S+ 0 0 21 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.818 109.0 48.4 -58.4 -35.1 16.0 59.2 34.6 25 35 A L H >< S+ 0 0 2 -4,-1.9 3,-1.4 -3,-0.2 -1,-0.2 0.877 109.4 51.6 -73.9 -38.2 16.3 56.3 37.0 26 36 A Q H >< S+ 0 0 49 -4,-2.2 3,-1.3 1,-0.3 48,-0.3 0.825 102.5 60.3 -68.5 -31.2 19.5 55.0 35.3 27 37 A Q T 3< S+ 0 0 59 -4,-2.0 -1,-0.3 1,-0.2 53,-0.2 0.334 91.2 71.7 -78.6 9.1 21.1 58.4 35.6 28 38 A D T <> + 0 0 22 -3,-1.4 4,-2.4 1,-0.1 3,-0.3 0.406 67.1 96.9-101.9 -1.2 20.7 58.1 39.4 29 39 A Y H <> S+ 0 0 11 -3,-1.3 4,-2.4 1,-0.2 5,-0.3 0.927 80.4 52.4 -54.5 -51.0 23.4 55.5 39.7 30 40 A P H > S+ 0 0 29 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.867 113.3 46.2 -53.9 -38.5 26.2 58.0 40.6 31 41 A F H > S+ 0 0 6 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.866 110.9 50.4 -73.1 -39.3 23.9 59.4 43.4 32 42 A V H X S+ 0 0 3 -4,-2.4 4,-1.8 2,-0.2 -1,-0.2 0.833 109.9 51.4 -68.7 -32.1 22.9 56.0 44.7 33 43 A E H X S+ 0 0 44 -4,-2.4 4,-2.2 -5,-0.2 -1,-0.2 0.901 110.1 49.9 -68.9 -39.8 26.6 55.1 44.9 34 44 A A H X S+ 0 0 12 -4,-1.5 4,-2.8 -5,-0.3 -2,-0.2 0.884 108.1 52.7 -65.1 -39.4 27.2 58.3 46.8 35 45 A L H X S+ 0 0 9 -4,-2.2 4,-2.7 2,-0.2 -1,-0.2 0.911 107.6 52.4 -61.5 -42.1 24.4 57.5 49.2 36 46 A Y H X S+ 0 0 0 -4,-1.8 4,-2.0 2,-0.2 -2,-0.2 0.909 109.4 48.6 -60.7 -44.8 26.0 54.1 49.8 37 47 A R H >X S+ 0 0 110 -4,-2.2 4,-1.7 2,-0.2 3,-0.5 0.982 112.4 48.6 -56.0 -58.3 29.3 55.8 50.6 38 48 A Y H 3X S+ 0 0 15 -4,-2.8 4,-1.0 1,-0.3 -2,-0.2 0.860 110.4 52.1 -48.7 -44.1 27.5 58.2 53.0 39 49 A Q H 3X S+ 0 0 4 -4,-2.7 4,-1.8 1,-0.2 3,-0.4 0.864 105.6 54.0 -64.2 -37.7 25.7 55.2 54.6 40 50 A V H X S+ 0 0 0 -4,-1.0 4,-3.4 -3,-0.4 3,-1.2 0.936 105.3 52.2 -71.2 -45.8 27.3 56.3 59.3 43 53 A L H 3< S+ 0 0 0 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.2 0.735 102.6 61.6 -61.7 -22.0 28.2 52.7 60.2 44 54 A L H 3< S+ 0 0 62 -4,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.789 120.7 22.4 -75.2 -27.7 31.7 53.9 61.0 45 55 A E H << S+ 0 0 112 -3,-1.2 -2,-0.2 -4,-0.7 -1,-0.2 0.583 94.9 121.9-109.4 -21.3 30.4 56.2 63.8 46 56 A A < - 0 0 2 -4,-3.4 5,-0.1 -5,-0.1 -3,-0.0 -0.177 60.8-129.6 -51.3 126.0 27.1 54.4 64.5 47 57 A P >> - 0 0 57 0, 0.0 4,-1.5 0, 0.0 3,-1.1 -0.251 29.4-103.1 -68.9 167.0 26.8 53.2 68.1 48 58 A Q H >> S+ 0 0 22 1,-0.3 3,-0.8 2,-0.2 4,-0.7 0.958 121.2 57.4 -57.5 -51.7 25.7 49.6 68.6 49 59 A A H 34 S+ 0 0 84 1,-0.2 -1,-0.3 2,-0.1 -3,-0.0 0.668 111.3 44.3 -53.8 -19.1 22.1 50.5 69.4 50 60 A H H <> S+ 0 0 40 -3,-1.1 4,-1.2 2,-0.1 -1,-0.2 0.727 92.4 83.0 -98.1 -26.5 21.9 52.3 66.1 51 61 A R H S+ 0 0 17 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.917 115.0 52.3 -65.1 -43.3 18.5 49.8 61.1 54 64 A L H X S+ 0 0 5 -4,-1.2 4,-2.3 1,-0.2 -2,-0.2 0.839 107.7 50.4 -62.6 -35.6 21.6 51.3 59.3 55 65 A V H X S+ 0 0 1 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.835 110.6 51.2 -72.6 -30.5 22.8 47.9 58.1 56 66 A Q H X S+ 0 0 59 -4,-1.3 4,-1.5 -5,-0.3 -2,-0.2 0.885 109.8 49.1 -71.7 -39.0 19.3 47.1 56.8 57 67 A A H X S+ 0 0 7 -4,-2.2 4,-2.3 2,-0.2 3,-0.3 0.939 109.1 52.1 -66.0 -44.7 19.2 50.4 54.9 58 68 A L H X S+ 0 0 0 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.940 105.5 56.4 -53.8 -50.0 22.7 49.7 53.4 59 69 A X H X S+ 0 0 34 -4,-2.0 4,-2.1 1,-0.2 -1,-0.2 0.865 108.4 47.7 -48.0 -43.4 21.3 46.3 52.2 60 70 A A H X S+ 0 0 24 -4,-1.5 4,-1.9 -3,-0.3 -1,-0.2 0.918 110.0 50.9 -69.2 -42.9 18.6 48.1 50.4 61 71 A T H X S+ 0 0 10 -4,-2.3 4,-1.7 2,-0.2 -2,-0.2 0.915 110.8 50.2 -59.7 -43.3 20.9 50.6 48.8 62 72 A V H X S+ 0 0 2 -4,-2.8 4,-1.6 1,-0.2 3,-0.4 0.943 110.4 47.6 -59.7 -52.5 23.2 47.8 47.6 63 73 A E H X S+ 0 0 100 -4,-2.1 4,-2.0 1,-0.2 -1,-0.2 0.839 108.8 57.1 -59.0 -32.2 20.3 45.8 46.0 64 74 A E H X S+ 0 0 35 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.885 103.7 51.6 -66.9 -38.4 19.2 49.1 44.4 65 75 A L H X S+ 0 0 0 -4,-1.7 4,-1.6 -3,-0.4 -1,-0.2 0.830 108.9 51.9 -67.4 -31.4 22.5 49.4 42.7 66 76 A D H X S+ 0 0 67 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.900 107.3 52.2 -69.4 -41.9 22.2 45.9 41.4 67 77 A W H < S+ 0 0 36 -4,-2.0 4,-0.5 1,-0.2 -2,-0.2 0.879 109.7 49.0 -62.1 -39.4 18.8 46.7 40.0 68 78 A L H <>S+ 0 0 0 -4,-1.9 5,-2.8 2,-0.2 -1,-0.2 0.860 110.1 51.7 -68.9 -36.7 20.1 49.7 38.1 69 79 A L H ><5S+ 0 0 54 -4,-1.6 3,-1.7 1,-0.2 -2,-0.2 0.962 110.7 46.3 -63.6 -50.8 23.0 47.7 36.7 70 80 A L T 3<5S+ 0 0 146 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.639 109.9 59.8 -65.9 -11.7 20.6 45.0 35.4 71 81 A Q T 3 5S- 0 0 55 -4,-0.5 -1,-0.3 -5,-0.2 -2,-0.2 0.005 129.4 -90.1-105.0 24.6 18.6 47.9 34.1 72 82 A G T < 5S+ 0 0 56 -3,-1.7 -3,-0.2 1,-0.2 -2,-0.1 0.297 75.1 145.8 92.0 -12.0 21.3 49.4 31.9 73 83 A A < - 0 0 14 -5,-2.8 -1,-0.2 -6,-0.1 -46,-0.1 -0.080 33.4-152.0 -58.7 160.3 23.2 51.8 34.2 74 84 A S - 0 0 58 -48,-0.3 -1,-0.1 1,-0.1 -45,-0.0 -0.918 10.5-152.8-140.5 113.6 26.9 52.4 33.9 75 85 A P S S+ 0 0 79 0, 0.0 2,-1.0 0, 0.0 -1,-0.1 0.884 91.0 58.5 -49.0 -45.4 29.1 53.4 36.9 76 86 A S S S+ 0 0 108 2,-0.0 0, 0.0 3,-0.0 0, 0.0 -0.780 80.9 108.1 -93.3 102.2 31.6 55.1 34.7 77 87 A A S S- 0 0 35 -2,-1.0 -3,-0.0 -4,-0.0 -4,-0.0 -0.923 76.6 -78.2-170.0 144.6 29.7 57.7 32.7 78 88 A P - 0 0 125 0, 0.0 2,-0.5 0, 0.0 -2,-0.0 -0.206 45.7-137.1 -51.6 136.4 29.4 61.5 32.7 79 89 A V - 0 0 60 -49,-0.0 5,-0.1 -51,-0.0 -51,-0.1 -0.853 20.7-111.7-101.4 126.4 27.3 62.9 35.6 80 90 A H >> - 0 0 81 -2,-0.5 4,-2.3 -53,-0.2 3,-0.8 -0.307 27.6-121.7 -55.0 133.2 24.8 65.6 34.9 81 91 A P H 3> S+ 0 0 99 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.782 112.7 57.9 -48.0 -31.6 26.0 68.8 36.7 82 92 A V H 3> S+ 0 0 45 1,-0.2 4,-1.1 2,-0.2 93,-0.1 0.943 110.8 40.3 -65.9 -46.4 22.7 68.9 38.5 83 93 A R H <> S+ 0 0 8 -3,-0.8 4,-2.1 1,-0.2 -1,-0.2 0.804 111.7 58.6 -72.2 -28.0 23.2 65.4 40.0 84 94 A A H X S+ 0 0 42 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.881 104.5 49.6 -68.7 -38.3 26.9 66.2 40.6 85 95 A G H X S+ 0 0 45 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.812 110.8 50.8 -69.2 -29.1 26.0 69.1 42.8 86 96 A Y H X S+ 0 0 4 -4,-1.1 4,-1.7 2,-0.2 -2,-0.2 0.873 108.2 52.1 -74.2 -39.0 23.7 66.9 44.7 87 97 A I H X S+ 0 0 23 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.889 108.0 51.1 -64.1 -40.1 26.4 64.2 45.1 88 98 A A H X S+ 0 0 44 -4,-2.0 4,-2.5 1,-0.2 -1,-0.2 0.841 103.9 60.5 -65.8 -32.0 28.7 66.9 46.5 89 99 A L H X S+ 0 0 7 -4,-1.1 4,-2.5 2,-0.2 5,-0.2 0.942 105.0 47.2 -59.0 -50.0 25.9 67.8 49.0 90 100 A L H X S+ 0 0 2 -4,-1.7 4,-1.7 2,-0.2 -2,-0.2 0.953 112.5 47.9 -56.5 -53.4 25.9 64.3 50.4 91 101 A E H X S+ 0 0 108 -4,-2.0 4,-0.6 1,-0.2 -1,-0.2 0.883 110.7 54.1 -54.7 -39.0 29.7 64.3 50.8 92 102 A E H >X S+ 0 0 52 -4,-2.5 3,-1.2 1,-0.2 4,-0.7 0.903 109.0 46.4 -62.6 -44.1 29.4 67.7 52.4 93 103 A X H 3< S+ 0 0 0 -4,-2.5 3,-0.3 1,-0.3 -1,-0.2 0.743 99.3 70.8 -71.3 -20.0 26.9 66.4 54.9 94 104 A G H 3< S+ 0 0 35 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.759 94.2 57.0 -64.9 -22.4 29.3 63.5 55.4 95 105 A R H << S+ 0 0 192 -3,-1.2 -1,-0.2 -4,-0.6 -2,-0.2 0.836 90.1 90.8 -75.1 -37.0 31.5 66.1 57.1 96 106 A L S < S- 0 0 29 -4,-0.7 5,-0.0 -3,-0.3 -3,-0.0 0.000 93.5 -76.5 -56.7 164.1 28.9 67.1 59.7 97 107 A P >> - 0 0 79 0, 0.0 4,-2.0 0, 0.0 3,-0.9 -0.279 46.5-105.0 -63.4 151.4 28.7 65.4 63.1 98 108 A Y H 3> S+ 0 0 23 1,-0.3 4,-2.2 2,-0.2 5,-0.3 0.885 118.0 54.4 -40.0 -62.0 27.1 61.9 63.3 99 109 A A H 3> S+ 0 0 29 1,-0.2 4,-1.4 2,-0.2 -1,-0.3 0.819 109.4 48.6 -45.8 -42.0 23.8 63.1 64.8 100 110 A Y H <> S+ 0 0 30 -3,-0.9 4,-2.5 1,-0.2 3,-0.2 0.955 109.7 52.0 -65.1 -50.5 23.3 65.6 62.0 101 111 A R H X S+ 0 0 12 -4,-2.0 4,-2.2 1,-0.2 -2,-0.2 0.862 108.3 49.7 -54.6 -42.1 24.0 63.0 59.3 102 112 A V H X S+ 0 0 9 -4,-2.2 4,-1.7 2,-0.2 -1,-0.2 0.854 111.0 48.9 -69.6 -34.2 21.5 60.5 60.6 103 113 A V H X S+ 0 0 9 -4,-1.4 4,-2.3 -5,-0.3 -2,-0.2 0.917 113.8 47.8 -69.6 -40.9 18.7 63.0 60.8 104 114 A F H X S+ 0 0 0 -4,-2.5 4,-3.1 2,-0.2 -2,-0.2 0.845 108.5 53.2 -66.7 -36.7 19.6 64.1 57.3 105 115 A F H X S+ 0 0 2 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.890 110.7 48.2 -66.6 -38.2 19.7 60.5 56.0 106 116 A Y H X S+ 0 0 59 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.936 112.2 49.0 -65.6 -46.1 16.2 60.0 57.5 107 117 A F H X S+ 0 0 26 -4,-2.3 4,-2.8 1,-0.2 5,-0.2 0.943 107.5 54.9 -57.7 -52.4 15.0 63.2 55.9 108 118 A L H X S+ 0 0 0 -4,-3.1 4,-2.3 1,-0.2 -1,-0.2 0.896 111.1 44.1 -48.8 -50.4 16.5 62.2 52.5 109 119 A N H X S+ 0 0 19 -4,-1.9 4,-2.5 2,-0.2 5,-0.3 0.940 111.8 51.8 -63.2 -48.7 14.6 58.9 52.4 110 120 A G H X S+ 0 0 19 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.904 112.4 48.3 -53.6 -41.6 11.3 60.4 53.6 111 121 A L H X S+ 0 0 6 -4,-2.8 4,-2.6 2,-0.2 5,-0.3 0.879 107.5 54.2 -67.4 -40.9 11.7 63.0 50.9 112 122 A F H X S+ 0 0 36 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.949 111.5 44.9 -58.9 -48.8 12.4 60.4 48.2 113 123 A L H X S+ 0 0 30 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.908 113.3 51.5 -61.0 -43.6 9.2 58.5 49.1 114 124 A E H X S+ 0 0 87 -4,-2.2 4,-1.4 -5,-0.3 -2,-0.2 0.921 112.0 43.8 -59.5 -50.2 7.2 61.7 49.2 115 125 A A H X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.2 5,-0.3 0.862 115.8 49.2 -65.2 -38.0 8.3 62.9 45.8 116 126 A W H X S+ 0 0 16 -4,-2.1 4,-2.5 -5,-0.3 -2,-0.2 0.928 107.6 52.1 -68.1 -48.1 7.9 59.5 44.2 117 127 A A H < S+ 0 0 58 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.840 113.9 45.8 -59.3 -33.9 4.4 58.9 45.6 118 128 A H H < S+ 0 0 95 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.976 123.4 27.9 -74.0 -58.4 3.2 62.2 44.2 119 129 A H H < S+ 0 0 23 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.812 105.1 77.9 -77.4 -33.1 4.6 62.2 40.7 120 130 A V S < S- 0 0 5 -4,-2.5 -1,-0.1 -5,-0.3 -4,-0.0 -0.702 81.2-128.4 -85.7 116.6 4.8 58.5 39.9 121 131 A P - 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