==== 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 28-FEB-06 2DFA . COMPND 2 MOLECULE: HYPOTHETICAL UPF0271 PROTEIN TTHB195; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMUS THERMOPHILUS; . AUTHOR H.MIZUTANI,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMICS . 247 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10957.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 173 70.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 13.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 10 4.0 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 . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 5.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 32.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.4 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 1 0 0 0 1 1 0 0 0 3 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 1 2 1 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 . 3 0 1 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 . 2 1 0 0 0 0 1 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 1 A M 0 0 156 0, 0.0 243,-2.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 156.5 36.9 31.7 18.6 2 2 A K E +a 244 0A 101 241,-0.2 2,-0.3 198,-0.1 243,-0.2 -0.894 360.0 175.9-128.9 157.6 39.0 29.7 16.2 3 3 A V E -a 245 0A 4 241,-2.6 243,-1.6 -2,-0.3 2,-0.4 -0.990 26.8-119.9-155.2 152.9 40.8 26.3 16.0 4 4 A D E -b 219 0B 0 214,-1.7 216,-2.9 -2,-0.3 2,-0.5 -0.795 16.3-154.8 -99.9 139.1 42.8 24.2 13.5 5 5 A L E -b 220 0B 2 -2,-0.4 25,-2.2 214,-0.2 24,-2.1 -0.965 20.1-175.4-111.5 119.7 41.7 20.8 12.5 6 6 A N E +bc 221 30B 1 214,-2.6 216,-2.3 -2,-0.5 2,-0.3 -0.883 10.5 174.3-121.1 151.2 44.5 18.6 11.3 7 7 A A E -bc 222 31B 3 23,-1.2 25,-2.1 -2,-0.3 216,-0.1 -0.989 34.7-105.8-148.6 151.4 44.7 15.1 9.8 8 8 A D E + c 0 32B 33 214,-0.6 2,-0.3 -2,-0.3 25,-0.2 -0.479 49.0 158.9 -76.1 152.5 47.5 12.9 8.3 9 9 A A E + c 0 33B 1 23,-2.3 25,-1.6 -2,-0.1 53,-0.1 -0.959 38.9 54.6-162.1 174.9 47.4 12.5 4.6 10 10 A G + 0 0 2 -2,-0.3 9,-0.1 23,-0.2 38,-0.1 0.778 62.8 134.0 62.0 29.5 49.5 11.6 1.5 11 11 A E + 0 0 18 7,-0.3 29,-0.8 28,-0.1 8,-0.1 0.516 30.4 116.5 -88.9 -2.7 50.5 8.3 3.0 12 12 A S - 0 0 7 6,-0.4 29,-1.2 27,-0.2 28,-0.7 -0.273 53.4-151.2 -61.6 150.5 49.8 6.3 -0.1 13 13 A Y B > -I 16 0C 94 3,-2.4 3,-2.7 27,-0.2 2,-0.1 -0.938 46.9 -59.7-133.4 112.7 52.8 4.6 -1.7 14 14 A G T 3 S- 0 0 37 -2,-0.4 27,-0.0 1,-0.3 -2,-0.0 -0.342 124.6 -7.4 56.6-125.7 53.1 3.9 -5.4 15 15 A A T 3 S+ 0 0 95 1,-0.1 2,-1.3 -2,-0.1 -1,-0.3 0.604 116.7 96.6 -76.3 -12.1 50.2 1.6 -6.4 16 16 A F B < -I 13 0C 158 -3,-2.7 -3,-2.4 2,-0.0 2,-0.1 -0.645 64.9-158.5 -84.8 91.3 49.3 1.2 -2.7 17 17 A A - 0 0 79 -2,-1.3 2,-0.4 -5,-0.2 -2,-0.1 -0.441 14.2-173.8 -67.8 139.0 46.5 3.7 -2.0 18 18 A Y - 0 0 114 -2,-0.1 3,-0.4 0, 0.0 -6,-0.4 -0.999 36.8 -6.1-140.2 140.9 46.1 4.6 1.7 19 19 A G S S- 0 0 37 -2,-0.4 3,-0.1 1,-0.2 -10,-0.1 -0.285 80.4 -81.6 80.1-165.7 43.7 6.7 3.7 20 20 A H >> + 0 0 74 1,-0.1 4,-2.5 -2,-0.1 3,-1.0 -0.348 56.9 155.1-137.6 52.4 40.8 8.8 2.5 21 21 A D H 3> S+ 0 0 20 -3,-0.4 4,-2.8 1,-0.3 -1,-0.1 0.869 73.7 57.0 -48.6 -44.5 42.5 12.1 1.5 22 22 A R H 34 S+ 0 0 166 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.861 114.2 38.2 -57.9 -37.7 39.7 13.0 -0.9 23 23 A E H <4 S+ 0 0 71 -3,-1.0 -1,-0.2 2,-0.1 -2,-0.2 0.808 120.1 45.9 -84.0 -31.5 37.1 12.7 1.9 24 24 A I H >X S+ 0 0 10 -4,-2.5 3,-2.1 1,-0.2 4,-1.3 0.874 97.7 67.1 -81.3 -40.8 39.2 14.3 4.7 25 25 A F T 3< S+ 0 0 2 -4,-2.8 3,-0.2 1,-0.3 -1,-0.2 0.834 95.8 55.9 -52.6 -39.3 40.7 17.3 2.9 26 26 A P T 34 S+ 0 0 59 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.606 112.1 46.3 -72.3 -5.0 37.4 19.2 2.6 27 27 A L T <4 S+ 0 0 18 -3,-2.1 -2,-0.2 -4,-0.1 2,-0.2 0.687 103.2 65.3-106.4 -25.0 36.9 18.9 6.3 28 28 A V < - 0 0 7 -4,-1.3 -22,-0.2 -3,-0.2 3,-0.1 -0.590 59.1-150.5-101.8 163.2 40.3 19.9 7.8 29 29 A S S S+ 0 0 12 -24,-2.1 29,-2.6 1,-0.2 2,-0.3 0.651 85.1 26.9-101.3 -21.0 42.3 23.2 7.8 30 30 A S E -cd 6 58B 0 -25,-2.2 -23,-1.2 27,-0.2 2,-0.3 -0.983 65.3-159.6-140.7 151.3 45.7 21.6 7.9 31 31 A A E -cd 7 59B 1 27,-2.7 29,-2.6 -2,-0.3 2,-0.7 -0.972 14.7-140.7-132.6 147.3 47.2 18.3 6.8 32 32 A N E -cd 8 60B 0 -25,-2.1 -23,-2.3 -2,-0.3 2,-0.4 -0.926 27.1-154.8-108.2 106.8 50.4 16.4 7.8 33 33 A L E -cd 9 61B 0 27,-2.8 29,-2.4 -2,-0.7 -23,-0.2 -0.703 13.8-120.7 -90.7 133.6 51.9 14.9 4.6 34 34 A A E - d 0 62B 0 -25,-1.6 6,-0.1 -2,-0.4 -1,-0.1 -0.278 16.3-148.7 -63.7 153.4 54.1 11.9 4.6 35 35 A C - 0 0 4 27,-0.5 5,-0.2 -24,-0.0 58,-0.1 0.053 50.3 -83.3-118.8 26.7 57.6 12.4 3.2 36 36 A G S S+ 0 0 30 3,-2.2 4,-0.2 5,-0.1 32,-0.1 0.383 108.4 87.5 94.1 -3.9 58.6 9.1 1.6 37 37 A F S S+ 0 0 38 2,-0.3 30,-0.3 30,-0.1 35,-0.2 0.884 107.6 10.2 -94.9 -48.6 59.9 7.2 4.7 38 38 A H S S- 0 0 0 1,-0.4 2,-0.3 33,-0.2 35,-0.1 0.429 140.4 -32.2-109.2 -0.8 56.9 5.5 6.2 39 39 A G S S+ 0 0 1 1,-0.2 -3,-2.2 -27,-0.1 -1,-0.4 -0.946 90.6 92.5 168.8-179.4 54.7 6.3 3.3 40 40 A G - 0 0 0 -29,-0.8 -27,-0.2 -28,-0.7 -1,-0.2 0.996 49.6-153.0 74.6 73.2 54.1 9.0 0.6 41 41 A S > - 0 0 13 -29,-1.2 4,-2.3 1,-0.1 3,-0.5 -0.327 37.3 -95.7 -68.3 161.2 56.0 8.1 -2.6 42 42 A P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.870 125.2 47.4 -46.7 -48.7 57.0 11.1 -4.8 43 43 A G H > S+ 0 0 51 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.873 112.8 49.3 -63.0 -37.9 54.0 10.9 -7.1 44 44 A R H > S+ 0 0 56 -3,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.812 109.2 52.4 -71.1 -31.5 51.6 10.5 -4.1 45 45 A I H X S+ 0 0 5 -4,-2.3 4,-2.7 2,-0.2 5,-0.2 0.957 110.0 48.2 -67.1 -48.9 53.1 13.5 -2.4 46 46 A L H X S+ 0 0 43 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.898 112.3 50.2 -56.3 -42.9 52.6 15.6 -5.5 47 47 A E H X S+ 0 0 100 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.907 111.4 47.3 -62.3 -44.9 49.0 14.3 -5.7 48 48 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 -2,-0.2 0.864 111.2 51.0 -66.4 -38.7 48.3 15.2 -2.0 49 49 A V H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.904 110.4 49.5 -66.2 -41.1 49.9 18.6 -2.3 50 50 A R H X S+ 0 0 135 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.921 112.0 48.7 -64.0 -42.0 47.7 19.3 -5.4 51 51 A L H X S+ 0 0 38 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.923 111.0 49.3 -63.1 -46.2 44.6 18.1 -3.5 52 52 A A H <>S+ 0 0 0 -4,-2.6 5,-2.9 1,-0.2 4,-0.4 0.919 111.6 49.6 -59.1 -45.1 45.4 20.3 -0.5 53 53 A K H ><5S+ 0 0 97 -4,-2.4 3,-1.1 1,-0.2 -1,-0.2 0.903 108.2 53.1 -60.4 -43.9 45.9 23.3 -2.7 54 54 A A H 3<5S+ 0 0 82 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.832 116.4 40.0 -61.9 -32.2 42.6 22.7 -4.5 55 55 A H T 3<5S- 0 0 89 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.320 111.4-117.2-100.4 7.8 40.9 22.6 -1.1 56 56 A G T < 5 + 0 0 69 -3,-1.1 2,-0.4 -4,-0.4 -3,-0.2 0.852 59.7 156.3 60.6 35.8 42.8 25.5 0.5 57 57 A V < - 0 0 9 -5,-2.9 2,-0.3 -6,-0.1 -27,-0.2 -0.785 44.5-120.5 -96.4 135.9 44.3 23.2 3.2 58 58 A A E -d 30 0B 20 -29,-2.6 -27,-2.7 -2,-0.4 2,-0.5 -0.561 28.3-141.0 -75.2 136.7 47.6 24.2 4.9 59 59 A V E +d 31 0B 4 45,-0.5 47,-3.2 -2,-0.3 48,-0.5 -0.860 23.3 173.2-108.3 132.2 50.3 21.6 4.4 60 60 A G E -d 32 0B 0 -29,-2.6 -27,-2.8 -2,-0.5 2,-0.3 -0.856 36.1 -97.8-126.8 163.7 52.9 20.6 7.0 61 61 A A E -de 33 108B 0 46,-2.5 48,-2.8 -2,-0.3 -27,-0.2 -0.623 22.1-165.1 -86.2 141.8 55.5 17.8 7.0 62 62 A H E -d 34 0B 4 -29,-2.4 -27,-0.5 -2,-0.3 -1,-0.1 -0.620 19.9-174.3-122.6 67.1 54.9 14.5 8.7 63 63 A P + 0 0 0 0, 0.0 48,-3.1 0, 0.0 2,-0.2 -0.321 7.3 172.9 -66.9 145.7 58.4 13.0 9.0 64 64 A G - 0 0 1 46,-0.2 48,-0.1 22,-0.1 8,-0.1 -0.824 35.8 -67.3-142.2-179.0 58.9 9.5 10.3 65 65 A F - 0 0 0 7,-0.3 2,-2.1 46,-0.3 -1,-0.1 -0.314 55.6-102.1 -68.2 155.2 61.3 6.6 10.9 66 66 A P S S+ 0 0 56 0, 0.0 -28,-0.1 0, 0.0 2,-0.1 -0.536 86.1 114.0 -81.1 78.5 62.8 4.9 7.8 67 67 A D > + 0 0 17 -2,-2.1 5,-2.5 -30,-0.3 4,-0.3 -0.604 30.5 166.5-149.9 78.8 60.5 1.9 8.1 68 68 A L T > 5S+ 0 0 69 1,-0.2 3,-1.8 2,-0.2 -1,-0.1 0.949 79.7 49.6 -62.3 -52.3 58.1 1.6 5.1 69 69 A V T 3 5S+ 0 0 129 1,-0.3 -1,-0.2 2,-0.1 -31,-0.1 0.849 115.9 45.0 -58.7 -32.2 56.9 -1.9 5.7 70 70 A G T > 5S- 0 0 14 4,-0.1 3,-1.9 1,-0.0 -1,-0.3 0.436 107.8-128.0 -90.3 0.7 56.2 -1.0 9.3 71 71 A F T < 5 - 0 0 34 -3,-1.8 -3,-0.2 -4,-0.3 -33,-0.2 0.778 59.9 -72.9 57.6 29.6 54.6 2.3 8.3 72 72 A G T 3 - 0 0 36 -2,-0.2 4,-2.3 1,-0.1 3,-0.2 -0.412 28.7-108.4 -75.8 159.8 71.0 8.2 17.1 80 80 A P H > S+ 0 0 32 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.888 122.4 56.5 -58.6 -33.6 70.1 11.8 17.5 81 81 A E H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.909 108.2 46.7 -61.3 -43.6 72.4 12.5 14.5 82 82 A E H > S+ 0 0 98 -3,-0.2 4,-2.6 2,-0.2 5,-0.2 0.888 110.8 51.7 -67.2 -38.9 70.4 10.1 12.4 83 83 A V H X S+ 0 0 2 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.941 110.1 50.0 -61.8 -47.0 67.1 11.6 13.5 84 84 A Y H X S+ 0 0 88 -4,-2.6 4,-2.2 -5,-0.2 -2,-0.2 0.926 114.2 43.4 -55.9 -50.0 68.3 15.1 12.6 85 85 A A H X S+ 0 0 51 -4,-2.1 4,-2.5 2,-0.2 -1,-0.2 0.903 114.1 50.0 -66.1 -43.0 69.4 14.1 9.1 86 86 A D H X S+ 0 0 38 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.903 112.2 47.4 -63.8 -42.0 66.3 12.0 8.4 87 87 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.2 5,-0.3 0.917 112.5 49.2 -66.1 -43.6 64.0 14.8 9.4 88 88 A L H X S+ 0 0 50 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.936 110.5 51.2 -59.6 -47.4 65.9 17.4 7.4 89 89 A Y H X S+ 0 0 160 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.916 113.7 44.4 -54.9 -48.3 65.8 15.1 4.3 90 90 A Q H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 5,-0.2 0.914 112.2 49.6 -67.1 -45.8 62.1 14.6 4.6 91 91 A I H X S+ 0 0 0 -4,-2.7 4,-2.4 1,-0.2 -1,-0.2 0.925 112.9 49.6 -59.9 -43.7 61.2 18.3 5.3 92 92 A G H X S+ 0 0 25 -4,-2.6 4,-1.2 -5,-0.3 -2,-0.2 0.921 108.1 51.9 -61.8 -45.1 63.3 19.2 2.3 93 93 A A H >X S+ 0 0 35 -4,-2.2 4,-0.8 1,-0.2 3,-0.6 0.929 112.8 44.8 -58.3 -48.0 61.7 16.7 -0.1 94 94 A L H >X S+ 0 0 0 -4,-2.2 4,-1.7 1,-0.2 3,-0.8 0.911 106.3 61.0 -63.7 -41.0 58.2 17.9 0.8 95 95 A S H 3X S+ 0 0 30 -4,-2.4 4,-2.4 1,-0.3 -1,-0.2 0.772 96.1 61.6 -58.4 -27.0 59.1 21.5 0.5 96 96 A A H S+ 0 0 2 -4,-1.7 5,-3.3 2,-0.2 -2,-0.2 0.907 110.0 51.3 -67.4 -40.1 55.1 23.0 -2.1 99 99 A K H ><5S+ 0 0 169 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.918 108.6 50.9 -61.9 -44.4 57.5 25.3 -3.9 100 100 A A H 3<5S+ 0 0 79 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.828 114.4 44.4 -61.9 -33.1 56.4 23.9 -7.3 101 101 A E T 3<5S- 0 0 33 -4,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.287 115.7-114.6 -95.6 9.4 52.8 24.5 -6.3 102 102 A G T < 5S+ 0 0 69 -3,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.801 72.5 130.4 63.4 32.0 53.5 28.0 -4.9 103 103 A L < - 0 0 47 -5,-3.3 -1,-0.2 -6,-0.1 2,-0.2 -0.855 53.3-125.0-117.2 151.8 52.6 27.0 -1.3 104 104 A P - 0 0 102 0, 0.0 2,-0.8 0, 0.0 -45,-0.5 -0.526 29.4-106.1 -90.7 161.0 54.5 27.5 1.9 105 105 A L - 0 0 27 -2,-0.2 -45,-0.2 1,-0.2 3,-0.1 -0.804 36.9-168.1 -85.1 114.6 55.5 24.8 4.4 106 106 A H - 0 0 34 -47,-3.2 2,-0.3 -2,-0.8 -46,-0.2 0.859 51.1 -33.5 -76.3 -39.6 53.0 25.4 7.2 107 107 A H - 0 0 0 -48,-0.5 -46,-2.5 32,-0.1 2,-0.4 -0.941 50.4-114.6-165.3-177.4 54.3 23.3 10.0 108 108 A V B +ef 61 141B 0 32,-1.4 34,-2.6 -2,-0.3 -46,-0.2 -0.997 25.3 172.4-136.7 138.4 56.1 20.1 11.1 109 109 A K - 0 0 9 -48,-2.8 34,-0.1 -2,-0.4 6,-0.1 -0.887 29.8-126.3-149.3 113.7 54.6 17.2 13.0 110 110 A P - 0 0 2 0, 0.0 2,-0.3 0, 0.0 -46,-0.2 -0.180 28.0-126.3 -57.8 151.3 56.5 13.9 13.6 111 111 A H >> - 0 0 1 -48,-3.1 3,-1.5 4,-0.1 4,-1.0 -0.780 46.1 -47.1-107.4 149.0 54.7 10.6 12.6 112 112 A G H 3> S+ 0 0 13 -2,-0.3 4,-2.2 1,-0.3 3,-0.4 0.041 123.0 8.7 39.4-125.1 54.0 7.5 14.6 113 113 A A H 3> S+ 0 0 7 -41,-2.1 4,-2.7 1,-0.2 -1,-0.3 0.775 128.8 57.3 -58.3 -30.0 56.9 5.9 16.6 114 114 A L H <> S+ 0 0 3 -3,-1.5 4,-2.4 -42,-0.5 -1,-0.2 0.922 107.2 49.2 -66.6 -42.4 59.1 8.9 15.9 115 115 A Y H X S+ 0 0 21 -4,-1.0 4,-2.0 -3,-0.4 -2,-0.2 0.954 114.2 45.2 -59.0 -51.1 56.4 11.1 17.5 116 116 A L H X S+ 0 0 104 -4,-2.2 4,-0.8 1,-0.2 -2,-0.2 0.886 111.3 51.7 -61.9 -41.0 56.2 8.8 20.5 117 117 A K H >X S+ 0 0 21 -4,-2.7 4,-1.7 1,-0.2 3,-0.8 0.907 109.9 51.5 -63.1 -39.1 60.0 8.5 20.9 118 118 A A H 3< S+ 0 0 0 -4,-2.4 7,-0.3 1,-0.2 -2,-0.2 0.876 102.5 59.2 -63.8 -39.5 60.1 12.3 20.9 119 119 A C H 3< S+ 0 0 23 -4,-2.0 29,-0.9 1,-0.2 30,-0.3 0.698 121.8 23.8 -65.5 -19.0 57.5 12.5 23.6 120 120 A R H << S+ 0 0 151 -4,-0.8 2,-0.5 -3,-0.8 -1,-0.2 0.457 113.1 69.9-124.6 -4.7 59.7 10.5 26.0 121 121 A D X - 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