==== 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 01-MAY-09 3HA9 . COMPND 2 MOLECULE: UNCHARACTERIZED THIOREDOXIN-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AEROPYRUM PERNIX; . AUTHOR A.J.STEIN,M.E.CUFF,A.SATHER,R.HENDRICKS,L.FREEMAN,A.JOACHIMI . 161 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9185.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 116 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 8.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 11.8 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 1.2 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 . 16 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 31.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.9 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 1 0 1 0 0 1 1 0 0 1 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 1 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 PARALLEL BRIDGES PER LADDER . 1 1 0 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 27 A N > 0 0 125 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 91.8 7.1 41.1 47.8 2 28 A A H > + 0 0 75 2,-0.2 4,-3.1 1,-0.2 5,-0.2 0.923 360.0 51.4 -64.4 -48.6 8.4 37.6 47.1 3 29 A P H > S+ 0 0 102 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.917 113.1 46.8 -57.6 -41.7 6.0 36.7 44.3 4 30 A R H > S+ 0 0 156 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.941 115.2 45.2 -63.0 -46.2 6.8 39.9 42.4 5 31 A A H X S+ 0 0 59 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.865 111.4 53.5 -66.9 -37.1 10.6 39.5 42.9 6 32 A A H X S+ 0 0 55 -4,-3.1 4,-2.1 2,-0.2 -1,-0.2 0.912 109.6 48.6 -61.4 -43.0 10.4 35.8 41.9 7 33 A G H X S+ 0 0 27 -4,-2.1 4,-1.6 -5,-0.2 -2,-0.2 0.890 113.5 45.4 -66.0 -41.9 8.6 36.7 38.7 8 34 A H H X S+ 0 0 97 -4,-2.1 4,-1.9 2,-0.2 -1,-0.2 0.872 110.1 54.7 -69.8 -37.6 11.2 39.4 37.8 9 35 A S H X S+ 0 0 59 -4,-2.4 4,-2.7 1,-0.2 -2,-0.2 0.911 106.6 52.0 -60.9 -41.1 14.1 37.1 38.7 10 36 A E H X S+ 0 0 111 -4,-2.1 4,-3.1 1,-0.2 5,-0.3 0.895 105.3 56.2 -60.9 -43.1 12.6 34.5 36.2 11 37 A E H X S+ 0 0 106 -4,-1.6 4,-1.4 1,-0.2 -1,-0.2 0.919 112.1 41.4 -52.4 -47.6 12.5 37.3 33.5 12 38 A V H X S+ 0 0 103 -4,-1.9 4,-1.9 2,-0.2 -2,-0.2 0.925 116.8 48.0 -68.3 -47.7 16.2 37.9 34.0 13 39 A L H X S+ 0 0 115 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.898 109.0 52.9 -62.6 -44.8 17.2 34.2 34.3 14 40 A E H X S+ 0 0 115 -4,-3.1 4,-0.8 1,-0.2 -1,-0.2 0.879 110.5 48.2 -58.5 -41.2 15.1 33.1 31.2 15 41 A R H < S+ 0 0 177 -4,-1.4 3,-0.4 -5,-0.3 -1,-0.2 0.872 111.9 48.6 -69.0 -37.2 16.8 35.7 29.0 16 42 A E H < S+ 0 0 155 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.880 112.4 49.8 -67.7 -35.7 20.3 34.7 30.3 17 43 A A H < S+ 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.604 92.6 102.8 -78.3 -15.0 19.5 31.1 29.6 18 44 A S < - 0 0 47 -4,-0.8 2,-0.3 -3,-0.4 -3,-0.0 -0.197 55.2-157.4 -71.8 159.5 18.2 31.7 26.1 19 45 A F - 0 0 26 2,-0.0 12,-0.4 105,-0.0 2,-0.3 -0.881 10.3-152.0-133.1 165.3 20.2 31.0 22.9 20 46 A S - 0 0 66 -2,-0.3 2,-0.4 10,-0.1 10,-0.2 -0.949 12.1-148.3-133.7 158.1 20.6 32.0 19.3 21 47 A L E -A 29 0A 1 8,-3.0 8,-2.9 -2,-0.3 2,-0.6 -0.952 7.8-142.1-127.4 144.9 21.8 30.0 16.3 22 48 A T E -A 28 0A 69 -2,-0.4 94,-1.2 94,-0.3 6,-0.2 -0.945 25.9-138.1-104.9 115.6 23.6 31.0 13.1 23 49 A T B > -B 115 0B 16 4,-3.3 3,-2.5 -2,-0.6 92,-0.3 -0.234 28.1-101.7 -70.0 165.1 22.4 29.1 10.1 24 50 A I T 3 S+ 0 0 29 90,-2.6 91,-0.1 1,-0.3 -1,-0.1 0.753 126.7 53.2 -58.7 -24.2 24.8 27.7 7.4 25 51 A D T 3 S- 0 0 127 89,-0.3 -1,-0.3 2,-0.1 90,-0.1 0.482 125.6-103.0 -90.3 -5.8 23.7 30.7 5.3 26 52 A G S < S+ 0 0 57 -3,-2.5 2,-0.4 1,-0.3 -2,-0.1 0.522 72.2 142.1 97.8 8.8 24.5 33.2 8.0 27 53 A E - 0 0 125 1,-0.0 -4,-3.3 -5,-0.0 2,-0.5 -0.693 46.2-135.7 -82.8 130.8 21.0 33.9 9.3 28 54 A V E +A 22 0A 98 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.764 35.0 167.4 -88.6 121.4 20.6 34.4 13.1 29 55 A I E -A 21 0A 15 -8,-2.9 -8,-3.0 -2,-0.5 2,-0.2 -0.845 19.0-166.0-128.3 167.8 17.6 32.6 14.5 30 56 A S > - 0 0 39 -2,-0.3 3,-1.3 -10,-0.2 4,-0.3 -0.744 50.9 -75.3-136.1-172.6 16.1 31.5 17.9 31 57 A L G > S+ 0 0 18 -12,-0.4 3,-1.8 1,-0.3 -11,-0.1 0.835 124.2 65.2 -57.7 -36.6 13.3 29.2 19.0 32 58 A N G 3 S+ 0 0 150 1,-0.3 -1,-0.3 3,-0.0 106,-0.0 0.794 99.9 52.5 -53.1 -34.3 10.6 31.7 17.9 33 59 A N G < S+ 0 0 65 -3,-1.3 2,-0.4 2,-0.0 -1,-0.3 0.503 91.8 93.6 -82.8 -5.2 11.7 31.1 14.3 34 60 A V < - 0 0 4 -3,-1.8 35,-0.1 -4,-0.3 5,-0.0 -0.769 64.4-151.0 -97.5 134.3 11.4 27.3 14.6 35 61 A G + 0 0 67 -2,-0.4 -1,-0.1 33,-0.1 4,-0.1 0.814 58.4 82.9 -74.2 -37.3 8.2 25.6 13.5 36 62 A G S S- 0 0 2 2,-0.1 32,-0.2 1,-0.1 31,-0.1 0.205 71.0-128.7 -67.9-179.3 7.7 22.5 15.5 37 63 A D S S+ 0 0 95 30,-2.7 101,-0.6 1,-0.2 2,-0.5 0.647 103.7 44.3 -89.0 -26.0 6.3 21.6 18.9 38 64 A V E S-cD 68 137B 7 29,-2.4 31,-2.8 99,-0.2 2,-0.5 -0.984 75.3-158.9-125.1 125.4 9.4 19.7 19.7 39 65 A V E -cD 69 136B 0 97,-2.7 97,-2.6 -2,-0.5 2,-0.6 -0.907 2.6-163.1-109.6 124.8 12.9 21.0 18.8 40 66 A I E -cD 70 135B 0 29,-2.8 31,-3.2 -2,-0.5 2,-0.6 -0.946 2.8-161.1-109.1 115.7 15.8 18.6 18.4 41 67 A L E -cD 71 134B 0 93,-3.2 93,-2.5 -2,-0.6 2,-0.7 -0.855 10.5-166.9 -90.5 118.1 19.3 20.1 18.5 42 68 A W E -cD 72 133B 0 29,-3.0 31,-3.4 -2,-0.6 2,-0.5 -0.918 5.4-159.4-113.2 108.0 21.6 17.6 16.9 43 69 A F E +cD 73 132B 0 89,-3.0 89,-2.4 -2,-0.7 2,-0.2 -0.768 36.0 138.8 -88.5 121.5 25.3 18.3 17.5 44 70 A M E -c 74 0B 0 29,-2.7 31,-1.6 -2,-0.5 32,-0.5 -0.807 44.5-133.2-150.8-179.7 27.3 16.5 14.9 45 71 A A > - 0 0 0 85,-0.5 3,-1.3 -2,-0.2 6,-0.1 -0.972 28.5-121.3-147.4 148.6 30.2 16.4 12.4 46 72 A A T 3 S+ 0 0 18 -2,-0.3 -1,-0.0 1,-0.3 6,-0.0 0.778 113.4 46.3 -66.7 -26.0 30.2 15.3 8.8 47 73 A W T 3 S+ 0 0 90 4,-0.0 -1,-0.3 -3,-0.0 3,-0.0 0.468 79.5 125.9 -91.4 -3.0 32.9 12.6 9.5 48 74 A a <> - 0 0 2 -3,-1.3 4,-0.5 1,-0.1 3,-0.4 -0.383 53.7-148.8 -63.1 120.1 31.3 11.3 12.7 49 75 A P T >4 S+ 0 0 112 0, 0.0 3,-0.8 0, 0.0 4,-0.4 0.917 94.3 45.3 -57.5 -45.5 30.9 7.5 12.2 50 76 A S T 3> S+ 0 0 51 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.676 94.8 79.0 -72.0 -18.9 27.8 7.2 14.4 51 77 A a H 3> S+ 0 0 0 -3,-0.4 4,-2.5 1,-0.3 -1,-0.2 0.762 82.4 63.1 -69.5 -25.4 26.1 10.2 12.8 52 78 A V H S+ 0 0 130 -3,-0.5 4,-2.0 -4,-0.4 -2,-0.2 0.912 112.8 52.5 -64.9 -44.0 22.8 6.0 11.9 54 80 A M H X S+ 0 0 2 -4,-2.1 4,-2.4 1,-0.2 5,-0.2 0.908 106.8 53.2 -58.1 -39.2 21.6 9.0 13.9 55 81 A A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.925 105.4 55.1 -62.4 -39.9 20.6 10.7 10.6 56 82 A D H X S+ 0 0 70 -4,-1.8 4,-1.7 1,-0.2 -1,-0.2 0.930 109.8 46.6 -55.2 -47.0 18.6 7.6 9.7 57 83 A L H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.910 111.1 49.6 -63.9 -47.3 16.6 7.9 13.0 58 84 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.830 107.2 56.7 -63.4 -32.7 15.9 11.6 12.7 59 85 A D H X S+ 0 0 40 -4,-2.2 4,-2.1 -5,-0.2 -1,-0.2 0.934 110.5 43.7 -60.9 -47.3 14.6 11.1 9.1 60 86 A R H X S+ 0 0 130 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.909 114.1 49.0 -68.2 -40.8 12.1 8.5 10.3 61 87 A L H X S+ 0 0 2 -4,-2.4 4,-3.1 1,-0.2 7,-0.2 0.887 110.1 52.6 -67.6 -37.0 11.0 10.6 13.3 62 88 A T H < S+ 0 0 21 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.913 112.5 44.6 -59.3 -46.2 10.7 13.7 11.1 63 89 A E H < S+ 0 0 167 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.880 118.1 44.4 -67.5 -38.8 8.4 11.7 8.7 64 90 A K H < S+ 0 0 128 -4,-2.4 2,-0.6 1,-0.2 -2,-0.2 0.889 118.8 40.1 -73.1 -43.5 6.4 10.2 11.6 65 91 A Y >< - 0 0 62 -4,-3.1 3,-1.8 -5,-0.2 -1,-0.2 -0.888 58.9-172.5-117.7 103.0 6.0 13.4 13.7 66 92 A R T 3 S+ 0 0 228 -2,-0.6 -1,-0.1 1,-0.3 -4,-0.1 0.654 84.2 67.2 -64.5 -17.4 5.2 16.6 11.8 67 93 A E T 3 S+ 0 0 72 -31,-0.1 -30,-2.7 -30,-0.1 -29,-2.4 0.500 81.2 95.3 -85.6 -2.8 5.6 18.5 15.0 68 94 A I E < -c 38 0B 12 -3,-1.8 2,-0.5 -32,-0.2 -29,-0.2 -0.738 54.2-167.4 -86.7 133.8 9.4 17.8 15.3 69 95 A S E -c 39 0B 25 -31,-2.8 -29,-2.8 -2,-0.4 2,-0.5 -0.984 9.1-154.2-117.4 119.2 11.9 20.3 14.0 70 96 A V E -c 40 0B 4 -2,-0.5 43,-1.8 -31,-0.2 2,-0.6 -0.785 5.1-164.9 -90.4 130.1 15.5 19.0 13.6 71 97 A I E -ce 41 113B 1 -31,-3.2 -29,-3.0 -2,-0.5 2,-0.6 -0.966 10.9-151.7-112.7 111.0 18.3 21.5 13.8 72 98 A A E -ce 42 114B 0 41,-2.7 43,-3.0 -2,-0.6 2,-0.6 -0.767 12.8-168.1 -84.4 119.5 21.6 20.0 12.5 73 99 A I E -ce 43 115B 0 -31,-3.4 -29,-2.7 -2,-0.6 2,-0.8 -0.917 6.8-165.7-116.8 104.5 24.5 21.7 14.3 74 100 A D E +ce 44 116B 0 41,-2.9 43,-2.1 -2,-0.6 -29,-0.2 -0.822 12.7 172.6 -91.4 112.9 27.9 21.0 12.8 75 101 A F + 0 0 10 -31,-1.6 2,-2.1 -2,-0.8 -1,-0.1 0.292 44.8 109.5-102.4 8.9 30.3 22.2 15.4 76 102 A W + 0 0 6 -32,-0.5 19,-2.7 4,-0.1 2,-0.3 -0.448 52.7 133.3 -86.1 67.9 33.4 20.8 13.6 77 103 A T S > S- 0 0 12 -2,-2.1 4,-2.8 40,-0.3 5,-0.3 -0.777 71.8-108.6-118.8 160.1 34.7 24.3 12.7 78 104 A A H > S+ 0 0 52 -2,-0.3 4,-2.2 1,-0.2 5,-0.2 0.885 118.8 49.4 -54.7 -42.0 38.0 26.1 12.9 79 105 A E H > S+ 0 0 125 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.910 113.6 44.1 -66.8 -45.2 36.8 28.3 15.7 80 106 A A H > S+ 0 0 0 37,-0.4 4,-2.0 2,-0.2 6,-0.2 0.913 113.2 51.3 -65.5 -42.7 35.4 25.4 17.8 81 107 A L H X>S+ 0 0 2 -4,-2.8 5,-2.3 1,-0.2 6,-0.8 0.888 109.8 50.0 -64.6 -41.1 38.4 23.2 17.3 82 108 A K H ><5S+ 0 0 156 -4,-2.2 3,-0.8 -5,-0.3 -1,-0.2 0.927 111.1 48.8 -60.5 -47.5 40.8 26.0 18.4 83 109 A A H 3<5S+ 0 0 82 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.852 117.3 42.0 -59.0 -37.6 38.8 26.6 21.5 84 110 A L H 3<5S- 0 0 85 -4,-2.0 -1,-0.2 -5,-0.1 -2,-0.2 0.481 110.3-118.7 -91.7 -4.9 38.8 22.9 22.3 85 111 A G T <<5S+ 0 0 42 -4,-0.8 -3,-0.2 -3,-0.8 -4,-0.1 0.661 80.7 121.0 72.3 20.1 42.4 22.3 21.4 86 112 A L < + 0 0 38 -5,-2.3 2,-1.8 -6,-0.2 -4,-0.2 0.317 33.7 106.2 -96.9 8.0 41.4 19.8 18.7 87 113 A N + 0 0 91 -6,-0.8 -1,-0.1 -5,-0.1 -5,-0.0 -0.376 59.1 112.0 -83.4 58.3 43.1 21.8 15.9 88 114 A K S > S- 0 0 130 -2,-1.8 3,-2.1 4,-0.2 -2,-0.0 -0.883 84.2-104.3-132.8 158.3 45.8 19.2 15.7 89 115 A P T 3 S+ 0 0 137 0, 0.0 -3,-0.0 0, 0.0 -2,-0.0 0.734 113.2 68.5 -58.6 -22.7 46.9 16.6 13.1 90 116 A G T 3 S+ 0 0 73 2,-0.1 -3,-0.1 0, 0.0 -4,-0.0 0.531 100.4 56.6 -71.7 -8.6 45.4 13.8 15.2 91 117 A Y S < S- 0 0 114 -3,-2.1 0, 0.0 -5,-0.1 0, 0.0 -0.918 98.0 -94.2-121.9 152.4 41.9 15.1 14.4 92 118 A P - 0 0 44 0, 0.0 -4,-0.2 0, 0.0 3,-0.1 -0.220 46.6-105.0 -58.7 151.2 40.2 15.8 11.1 93 119 A P - 0 0 102 0, 0.0 3,-0.1 0, 0.0 -6,-0.0 -0.197 57.5 -66.0 -66.6 171.4 40.4 19.3 9.7 94 120 A P - 0 0 55 0, 0.0 2,-0.3 0, 0.0 -17,-0.2 -0.252 55.5-107.7 -56.5 145.2 37.3 21.5 10.0 95 121 A D - 0 0 9 -19,-2.7 -17,-0.2 -3,-0.1 -21,-0.0 -0.565 30.5-134.4 -68.0 136.5 34.2 20.5 8.0 96 122 A T > - 0 0 62 -2,-0.3 4,-2.0 1,-0.1 3,-0.3 -0.585 23.5-112.5 -83.3 155.3 33.6 22.8 5.0 97 123 A P H > S+ 0 0 68 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.878 120.4 58.1 -53.0 -36.8 30.0 23.9 4.5 98 124 A E H > S+ 0 0 157 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.902 105.6 47.1 -59.4 -45.4 30.1 21.8 1.3 99 125 A M H > S+ 0 0 86 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.881 112.4 50.2 -62.7 -41.1 30.9 18.6 3.4 100 126 A F H X S+ 0 0 0 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.945 112.4 47.0 -63.8 -48.8 28.2 19.4 5.9 101 127 A R H X S+ 0 0 98 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.890 111.3 51.6 -58.1 -43.1 25.6 19.9 3.0 102 128 A K H X S+ 0 0 128 -4,-2.4 4,-2.4 2,-0.2 -1,-0.2 0.873 108.5 50.8 -64.8 -40.0 26.7 16.7 1.3 103 129 A F H X>S+ 0 0 10 -4,-2.1 4,-2.6 2,-0.2 5,-0.6 0.944 113.6 44.8 -61.5 -48.9 26.3 14.7 4.5 104 130 A I H X5S+ 0 0 7 -4,-2.3 4,-1.5 1,-0.2 -2,-0.2 0.889 113.3 50.5 -66.1 -36.6 22.8 16.1 5.1 105 131 A A H <5S+ 0 0 81 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.900 115.9 43.4 -65.9 -39.5 21.8 15.5 1.4 106 132 A N H <5S+ 0 0 92 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.856 136.5 5.6 -71.8 -40.5 23.1 11.9 1.5 107 133 A Y H <5S+ 0 0 106 -4,-2.6 -3,-0.2 -5,-0.2 -48,-0.2 0.601 117.9 55.9-125.0 -19.4 21.7 10.8 4.9 108 134 A G S < - 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0 0 118 -3,-1.0 -3,-0.2 -4,-0.3 2,-0.2 0.908 38.0-158.5 53.5 46.3 27.4 21.0 27.7 127 153 A V < - 0 0 20 -5,-2.1 -1,-0.2 -6,-0.2 3,-0.0 -0.392 15.3-171.0 -70.2 127.4 27.8 18.9 24.6 128 154 A R + 0 0 201 -2,-0.2 2,-0.3 -3,-0.2 -1,-0.1 0.480 59.1 2.2-101.5 -6.2 29.6 15.6 25.4 129 155 A S S S- 0 0 32 17,-0.1 3,-0.3 -86,-0.0 -86,-0.0 -0.952 77.0 -91.3-165.5 175.8 30.4 14.1 21.9 130 156 A I S S+ 0 0 40 -2,-0.3 -85,-0.5 1,-0.2 -82,-0.1 0.202 120.5 48.8 -88.1 14.6 30.2 14.6 18.1 131 157 A D S S+ 0 0 4 -87,-0.2 17,-2.7 -81,-0.1 2,-0.4 -0.581 81.1 147.0-147.4 79.2 26.8 12.8 18.1 132 158 A Y E -DF 43 147B 15 -89,-2.4 -89,-3.0 -3,-0.3 2,-0.4 -0.949 30.5-154.9-130.4 138.0 24.8 14.5 20.8 133 159 A I E -DF 42 146B 0 13,-2.6 13,-2.2 -2,-0.4 2,-0.4 -0.918 9.8-175.2-120.2 130.0 21.1 15.2 21.1 134 160 A V E -DF 41 145B 2 -93,-2.5 -93,-3.2 -2,-0.4 2,-0.5 -0.992 10.6-165.9-117.8 123.3 19.2 17.9 23.0 135 161 A I E +DF 40 144B 0 9,-3.2 8,-2.7 -2,-0.4 9,-1.3 -0.943 15.1 170.7-109.6 126.4 15.4 17.7 22.8 136 162 A M E -DF 39 142B 4 -97,-2.6 -97,-2.7 -2,-0.5 6,-0.2 -0.924 26.4-136.4-129.0 154.3 13.4 20.7 24.0 137 163 A D E > -D 38 0B 29 4,-1.7 3,-1.8 -2,-0.3 -99,-0.2 -0.451 45.7 -91.0 -95.1 179.4 9.8 21.9 24.0 138 164 A K T 3 S+ 0 0 82 -101,-0.6 -100,-0.1 1,-0.3 -107,-0.0 0.716 126.9 60.3 -71.2 -15.3 8.8 25.5 23.1 139 165 A S T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.361 119.9-111.3 -83.4 4.8 9.0 26.5 26.8 140 166 A S < + 0 0 60 -3,-1.8 2,-0.3 1,-0.3 -2,-0.1 0.631 64.7 154.8 66.7 19.3 12.7 25.5 26.7 141 167 A N - 0 0 88 1,-0.1 -4,-1.7 2,-0.0 2,-0.7 -0.577 44.6-127.8 -67.4 135.4 12.1 22.5 29.0 142 168 A V E +F 136 0B 86 -2,-0.3 -6,-0.2 -6,-0.2 3,-0.1 -0.805 28.8 178.2 -92.1 117.7 14.8 19.9 28.3 143 169 A L E S- 0 0 54 -8,-2.7 2,-0.3 -2,-0.7 -7,-0.2 0.670 70.6 -9.3 -90.9 -23.2 13.2 16.5 27.6 144 170 A Y E -F 135 0B 48 -9,-1.3 -9,-3.2 13,-0.0 -1,-0.4 -0.882 54.4-179.8-167.8 141.9 16.5 14.8 26.9 145 171 A A E +F 134 0B 45 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.906 34.9 109.0-144.4 127.2 20.1 15.6 26.4 146 172 A G E -F 133 0B 10 -13,-2.2 -13,-2.6 -2,-0.3 2,-0.3 -0.971 62.5 -76.8-179.9 165.8 22.7 12.9 25.8 147 173 A T E S-F 132 0B 52 -2,-0.3 -15,-0.2 -15,-0.2 -2,-0.1 -0.588 99.4 -17.4 -79.5 137.2 25.2 11.2 23.5 148 174 A T S S- 0 0 72 -17,-2.7 -1,-0.2 -2,-0.3 -16,-0.1 0.806 76.3-163.2 37.2 63.2 23.8 8.7 20.9 149 175 A P - 0 0 3 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.443 20.2-112.8 -68.1 151.2 20.3 8.0 22.3 150 176 A S > - 0 0 56 1,-0.1 4,-2.3 -2,-0.1 5,-0.2 -0.332 23.6-108.4 -77.3 165.3 18.6 4.9 20.9 151 177 A L H > S+ 0 0 42 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.899 121.8 55.1 -57.5 -43.1 15.4 5.0 18.8 152 178 A G H > S+ 0 0 49 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 107.9 48.2 -56.0 -42.9 13.5 3.7 21.7 153 179 A E H > S+ 0 0 92 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.925 112.8 47.3 -65.7 -46.0 14.7 6.6 23.9 154 180 A L H X S+ 0 0 1 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.935 112.7 49.2 -61.7 -48.0 13.8 9.2 21.3 155 181 A E H X S+ 0 0 44 -4,-2.9 4,-2.6 1,-0.2 5,-0.2 0.923 109.4 52.0 -55.3 -49.9 10.4 7.7 20.7 156 182 A S H X S+ 0 0 81 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.896 111.8 47.1 -54.7 -44.3 9.6 7.6 24.5 157 183 A V H X S+ 0 0 16 -4,-2.1 4,-1.0 2,-0.2 -2,-0.2 0.945 113.3 46.4 -64.1 -49.6 10.6 11.3 24.8 158 184 A I H < S+ 0 0 10 -4,-2.6 3,-0.2 1,-0.2 -2,-0.2 0.854 111.4 53.3 -62.7 -36.2 8.5 12.4 21.8 159 185 A K H < S+ 0 0 73 -4,-2.6 -1,-0.2 2,-0.2 -2,-0.2 0.887 101.5 57.5 -68.8 -40.6 5.5 10.4 23.0 160 186 A S H < 0 0 101 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.795 360.0 360.0 -60.2 -28.8 5.5 11.9 26.4 161 187 A V < 0 0 84 -4,-1.0 -2,-0.2 -3,-0.2 -3,-0.2 0.706 360.0 360.0-112.7 360.0 5.1 15.3 24.7