==== 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 ELECTRON TRANSPORT 26-SEP-03 1R26 . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA; . AUTHOR R.FRIEMANN,H.SCHMIDT,S.RAMASWAMY,M.FORSTNER,R.L.KRAUTH-SIEGE . 113 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7089.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 78 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 11 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 12.4 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 . 1 0.9 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 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 30.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 1 0 0 1 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 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 . 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 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 -7 A I 0 0 183 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 148.3 -18.9 -3.4 30.1 2 -6 A R - 0 0 92 57,-0.0 2,-0.0 1,-0.0 57,-0.0 -0.917 360.0 -86.8-117.8 155.6 -19.2 -1.1 33.1 3 -5 A M - 0 0 145 -2,-0.3 3,-0.2 1,-0.1 2,-0.1 -0.338 47.1-129.4 -56.1 133.3 -21.2 2.2 33.1 4 -4 A R S S+ 0 0 214 1,-0.2 -1,-0.1 -2,-0.0 0, 0.0 -0.409 81.4 27.3 -77.8 163.0 -19.0 5.1 32.0 5 -3 A A S S+ 0 0 103 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.949 85.0 147.6 52.9 64.8 -18.7 8.3 33.9 6 -2 A R - 0 0 91 -3,-0.2 -1,-0.2 3,-0.0 3,-0.0 -0.981 52.3-122.0-134.0 134.0 -19.3 6.9 37.3 7 -1 A Y - 0 0 158 -2,-0.4 2,-0.1 1,-0.1 46,-0.0 -0.697 46.5-103.0 -70.9 128.9 -17.9 7.8 40.8 8 0 A P S S+ 0 0 38 0, 0.0 2,-0.3 0, 0.0 45,-0.2 -0.348 76.1 117.7 -63.7 116.3 -16.2 4.7 42.2 9 1 A S - 0 0 52 43,-0.2 51,-0.4 -2,-0.1 40,-0.0 -0.957 65.1 -58.5-171.8 166.7 -18.7 3.4 44.7 10 2 A V - 0 0 36 -2,-0.3 2,-0.5 49,-0.1 51,-0.2 -0.235 34.9-137.9 -66.9 151.3 -20.9 0.4 45.4 11 3 A V E -a 61 0A 37 49,-2.7 51,-2.4 0, 0.0 2,-0.3 -0.961 28.0-128.2 -96.6 127.0 -23.5 -1.0 43.1 12 4 A D E -a 62 0A 72 -2,-0.5 2,-0.5 49,-0.2 51,-0.2 -0.628 16.4-142.6 -82.1 134.6 -26.6 -2.0 45.1 13 5 A V E +a 63 0A 3 49,-2.7 51,-0.5 -2,-0.3 3,-0.1 -0.843 28.7 163.8-100.4 130.2 -27.8 -5.5 44.6 14 6 A Y + 0 0 170 -2,-0.5 2,-0.3 1,-0.2 -1,-0.1 0.449 56.6 38.6-125.2 -8.7 -31.6 -6.0 44.6 15 7 A S > - 0 0 54 1,-0.1 4,-2.3 53,-0.1 -1,-0.2 -0.998 67.3-123.5-148.8 157.2 -32.2 -9.4 43.0 16 8 A V H > S+ 0 0 49 -2,-0.3 4,-1.8 1,-0.2 5,-0.1 0.867 115.1 47.8 -59.9 -39.1 -31.0 -13.0 42.7 17 9 A E H > S+ 0 0 96 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.920 109.6 51.0 -71.1 -45.3 -30.8 -12.7 38.9 18 10 A Q H > S+ 0 0 51 1,-0.2 4,-2.7 2,-0.2 -2,-0.2 0.907 109.9 52.5 -55.8 -43.1 -28.9 -9.3 39.0 19 11 A F H X S+ 0 0 20 -4,-2.3 4,-2.6 1,-0.2 5,-0.2 0.920 108.7 48.9 -61.2 -44.1 -26.4 -10.9 41.4 20 12 A R H X S+ 0 0 133 -4,-1.8 4,-1.5 1,-0.2 -1,-0.2 0.918 111.9 49.0 -61.6 -43.5 -25.8 -13.8 39.1 21 13 A N H X S+ 0 0 75 -4,-2.4 4,-0.7 1,-0.2 -2,-0.2 0.930 112.7 48.3 -63.6 -42.2 -25.3 -11.5 36.1 22 14 A I H >< S+ 0 0 9 -4,-2.7 3,-1.2 1,-0.2 5,-0.2 0.949 113.1 45.1 -60.3 -49.8 -22.9 -9.4 38.1 23 15 A M H 3< S+ 0 0 21 -4,-2.6 66,-2.5 1,-0.3 -1,-0.2 0.711 108.7 59.0 -75.6 -17.3 -20.7 -12.2 39.5 24 16 A S H 3< S+ 0 0 58 -4,-1.5 -1,-0.3 64,-0.3 -2,-0.2 0.591 85.0 103.6 -83.4 -14.3 -20.6 -13.8 36.0 25 17 A E S << S- 0 0 55 -3,-1.2 63,-2.8 -4,-0.7 2,-1.9 -0.324 84.5-113.0 -71.0 155.1 -19.0 -10.8 34.4 26 18 A D S S+ 0 0 107 61,-0.2 2,-0.4 62,-0.2 -1,-0.1 -0.376 84.9 104.3 -83.4 60.1 -15.3 -10.7 33.4 27 19 A I S S- 0 0 19 -2,-1.9 2,-0.4 -5,-0.2 61,-0.3 -0.995 83.6-107.7-138.8 131.9 -14.7 -8.0 36.0 28 20 A L - 0 0 5 29,-0.4 31,-2.3 -2,-0.4 2,-0.4 -0.526 52.0-171.8 -62.6 122.3 -13.0 -8.6 39.4 29 21 A T E -bC 59 86A 0 57,-2.8 57,-2.6 -2,-0.4 2,-0.5 -0.948 25.0-158.1-131.3 139.0 -15.9 -8.2 41.7 30 22 A V E -bC 60 85A 0 29,-2.9 31,-3.0 -2,-0.4 2,-0.6 -0.971 10.0-153.4-117.4 117.4 -16.4 -8.1 45.5 31 23 A A E -bC 61 84A 0 53,-3.1 53,-2.3 -2,-0.5 2,-0.6 -0.842 13.6-160.1 -86.6 120.2 -19.8 -9.0 46.9 32 24 A W E -bC 62 83A 6 29,-2.7 31,-3.1 -2,-0.6 2,-0.5 -0.919 0.5-158.2-110.2 105.9 -20.1 -7.1 50.2 33 25 A F E +bC 63 82A 0 49,-3.0 49,-1.4 -2,-0.6 2,-0.3 -0.774 31.2 143.6 -88.2 127.9 -22.8 -8.6 52.6 34 26 A T E -b 64 0A 10 29,-2.0 31,-2.9 -2,-0.5 32,-0.3 -0.914 34.9-146.1-156.8 171.4 -24.0 -6.1 55.1 35 27 A A > - 0 0 10 -2,-0.3 3,-0.8 29,-0.2 6,-0.1 -0.982 22.9-126.0-152.5 149.7 -27.1 -4.9 57.1 36 28 A V T 3 S+ 0 0 78 -2,-0.3 2,-0.4 1,-0.3 -1,-0.1 0.854 107.5 48.2 -67.8 -38.2 -28.2 -1.5 58.3 37 29 A W T 3 S+ 0 0 232 4,-0.0 2,-0.4 5,-0.0 -1,-0.3 -0.244 87.1 108.8-102.5 48.4 -28.6 -2.4 61.9 38 30 A a <> - 0 0 23 -3,-0.8 4,-1.8 -2,-0.4 -3,-0.2 -0.976 56.2-153.4-128.7 117.5 -25.3 -4.1 62.3 39 31 A G H > S+ 0 0 47 -2,-0.4 4,-1.8 1,-0.2 3,-0.3 0.928 93.7 44.3 -60.3 -57.6 -22.5 -2.5 64.3 40 32 A P H > S+ 0 0 67 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.843 110.8 58.4 -57.1 -34.0 -19.3 -3.9 62.8 41 33 A a H 4 S+ 0 0 2 1,-0.2 3,-0.3 2,-0.2 4,-0.3 0.907 106.3 47.7 -60.7 -43.5 -20.9 -3.3 59.3 42 34 A K H >< S+ 0 0 119 -4,-1.8 3,-1.5 -3,-0.3 4,-0.4 0.893 103.0 62.5 -65.6 -37.1 -21.2 0.4 60.1 43 35 A T H 3< S+ 0 0 97 -4,-1.8 3,-0.3 1,-0.3 -1,-0.2 0.844 106.2 44.6 -59.3 -35.4 -17.7 0.7 61.4 44 36 A I T 3X S+ 0 0 7 -4,-1.1 4,-2.2 -3,-0.3 -1,-0.3 0.372 82.1 99.9 -95.9 5.3 -16.2 -0.2 58.0 45 37 A E H <> S+ 0 0 79 -3,-1.5 4,-2.0 -4,-0.3 -1,-0.2 0.927 87.8 41.8 -54.0 -52.1 -18.4 1.9 55.7 46 38 A R H > S+ 0 0 209 -4,-0.4 4,-2.1 -3,-0.3 -1,-0.2 0.910 112.8 52.6 -67.0 -46.3 -15.8 4.7 55.3 47 39 A P H > S+ 0 0 52 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.892 110.4 50.8 -51.7 -38.8 -12.9 2.3 54.8 48 40 A M H X S+ 0 0 4 -4,-2.2 4,-2.6 2,-0.2 -2,-0.2 0.877 105.7 53.8 -70.4 -39.6 -14.9 0.5 52.1 49 41 A E H X S+ 0 0 123 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.922 110.5 48.1 -57.0 -42.0 -15.6 3.8 50.3 50 42 A K H X S+ 0 0 126 -4,-2.1 4,-2.1 2,-0.2 -2,-0.2 0.906 109.5 52.5 -67.7 -40.5 -11.9 4.4 50.2 51 43 A I H X S+ 0 0 2 -4,-2.0 4,-1.6 2,-0.2 -2,-0.2 0.936 107.9 51.1 -60.5 -43.4 -11.2 0.9 49.0 52 44 A A H < S+ 0 0 4 -4,-2.6 3,-0.3 1,-0.2 6,-0.2 0.924 112.1 47.2 -62.3 -39.8 -13.7 1.4 46.1 53 45 A Y H < S+ 0 0 134 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.878 113.9 47.1 -65.2 -36.6 -12.0 4.6 45.1 54 46 A E H < S+ 0 0 91 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.653 115.4 45.2 -84.5 -14.1 -8.5 3.1 45.3 55 47 A F >< + 0 0 22 -4,-1.6 3,-2.0 -3,-0.3 -1,-0.3 -0.592 64.9 160.4-124.3 65.3 -9.5 -0.0 43.3 56 48 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -47,-0.1 0.708 71.0 62.5 -67.9 -15.5 -11.5 1.5 40.4 57 49 A T T 3 S+ 0 0 95 -3,-0.1 -29,-0.4 2,-0.1 2,-0.4 0.503 94.5 78.6 -83.2 -3.3 -11.0 -1.6 38.2 58 50 A V S < S- 0 0 2 -3,-2.0 2,-0.4 -6,-0.2 -29,-0.2 -0.838 75.1-139.3-105.2 140.5 -12.9 -3.7 40.8 59 51 A K E - b 0 29A 21 -31,-2.3 -29,-2.9 -2,-0.4 2,-0.6 -0.849 10.5-155.6 -96.0 133.3 -16.7 -3.7 41.1 60 52 A F E - b 0 30A 5 -2,-0.4 -49,-2.7 -51,-0.4 2,-0.6 -0.948 7.8-166.7-112.1 112.0 -18.1 -3.6 44.7 61 53 A A E -ab 11 31A 0 -31,-3.0 -29,-2.7 -2,-0.6 2,-0.5 -0.898 10.4-148.1-106.9 111.0 -21.6 -5.1 44.8 62 54 A K E -ab 12 32A 47 -51,-2.4 -49,-2.7 -2,-0.6 2,-0.6 -0.702 11.5-168.2 -88.0 122.4 -23.4 -4.3 48.1 63 55 A V E -ab 13 33A 0 -31,-3.1 -29,-2.0 -2,-0.5 2,-0.5 -0.921 12.2-148.6-113.1 103.8 -25.8 -7.0 49.2 64 56 A D E > - b 0 34A 35 -2,-0.6 4,-1.3 -51,-0.5 -29,-0.2 -0.620 8.8-150.7 -71.6 124.2 -28.1 -6.1 52.0 65 57 A A T 4 S+ 0 0 13 -31,-2.9 7,-0.2 -2,-0.5 -1,-0.2 0.793 91.0 54.1 -72.3 -28.7 -28.7 -9.3 53.9 66 58 A D T 4 S+ 0 0 117 -32,-0.3 3,-0.4 1,-0.2 -1,-0.2 0.849 117.4 36.3 -76.8 -31.0 -32.2 -8.4 55.2 67 59 A N T 4 S+ 0 0 133 1,-0.2 -2,-0.2 -3,-0.1 -1,-0.2 0.575 122.6 42.6 -97.7 -9.2 -33.5 -7.6 51.7 68 60 A N >X + 0 0 11 -4,-1.3 4,-1.8 1,-0.1 3,-0.8 -0.346 64.6 150.1-131.3 54.0 -31.6 -10.3 49.8 69 61 A S H 3> S+ 0 0 88 -3,-0.4 4,-2.0 1,-0.3 5,-0.1 0.783 70.2 57.2 -63.9 -28.9 -31.9 -13.4 52.0 70 62 A E H 3> S+ 0 0 103 2,-0.2 4,-2.5 1,-0.2 -1,-0.3 0.825 105.3 50.9 -70.7 -32.3 -31.8 -15.9 49.2 71 63 A I H <> S+ 0 0 2 -3,-0.8 4,-2.1 2,-0.2 -2,-0.2 0.923 109.0 52.6 -67.9 -42.4 -28.4 -14.6 48.0 72 64 A V H <>S+ 0 0 28 -4,-1.8 5,-2.3 1,-0.2 4,-0.3 0.929 113.5 43.9 -54.2 -45.1 -27.2 -14.9 51.6 73 65 A S H ><5S+ 0 0 76 -4,-2.0 3,-1.2 1,-0.2 -2,-0.2 0.914 109.9 53.5 -72.7 -40.5 -28.4 -18.5 51.7 74 66 A K H 3<5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.886 116.2 41.0 -59.1 -39.0 -27.0 -19.4 48.2 75 67 A C T 3<5S- 0 0 40 -4,-2.1 -1,-0.3 -5,-0.1 -2,-0.2 0.378 107.5-125.8 -90.8 1.6 -23.6 -18.2 49.3 76 68 A R T < 5 + 0 0 202 -3,-1.2 2,-0.4 -4,-0.3 -3,-0.2 0.900 39.9 179.9 52.2 46.4 -23.7 -19.7 52.8 77 69 A V < + 0 0 17 -5,-2.3 -1,-0.2 -6,-0.2 3,-0.1 -0.681 10.1 176.7 -79.2 128.8 -23.0 -16.4 54.4 78 70 A L + 0 0 148 -2,-0.4 2,-0.3 1,-0.2 -1,-0.1 0.551 57.9 17.3-113.4 -15.9 -23.0 -16.8 58.2 79 71 A Q S S- 0 0 99 18,-0.0 -1,-0.2 -46,-0.0 18,-0.2 -0.980 83.1 -79.1-156.9 160.9 -22.0 -13.5 59.6 80 72 A L S S+ 0 0 51 -2,-0.3 18,-0.2 1,-0.1 -46,-0.1 -0.923 97.6 29.4-122.7 144.9 -21.9 -9.8 58.7 81 73 A P S S+ 0 0 0 0, 0.0 16,-2.1 0, 0.0 2,-0.3 0.671 77.2 160.8 -75.0 158.8 -20.0 -8.2 57.1 82 74 A T E -CD 33 96A 4 -49,-1.4 -49,-3.0 14,-0.2 2,-0.4 -0.990 23.2-153.9-137.1 147.5 -18.6 -10.8 54.7 83 75 A F E -CD 32 95A 0 12,-2.6 12,-2.3 -2,-0.3 2,-0.5 -0.982 5.5-169.3-124.1 130.8 -16.9 -10.3 51.4 84 76 A I E -CD 31 94A 19 -53,-2.3 -53,-3.1 -2,-0.4 2,-0.4 -0.988 10.9-153.8-120.6 127.6 -16.8 -12.8 48.5 85 77 A I E +CD 30 93A 0 8,-2.9 7,-3.0 -2,-0.5 8,-1.1 -0.840 24.9 156.0-105.3 133.6 -14.4 -12.2 45.6 86 78 A A E -CD 29 91A 6 -57,-2.6 -57,-2.8 -2,-0.4 2,-0.3 -0.967 23.8-167.4-149.2 160.2 -15.2 -13.5 42.1 87 79 A R E > S- D 0 90A 106 3,-1.6 3,-2.2 -2,-0.3 -61,-0.2 -0.928 78.2 -5.4-150.8 132.9 -14.5 -13.0 38.5 88 80 A S T 3 S- 0 0 66 -63,-2.8 -64,-0.3 -61,-0.3 -62,-0.2 0.851 130.5 -54.2 55.5 38.3 -16.3 -14.6 35.5 89 81 A G T 3 S+ 0 0 53 -66,-2.5 2,-0.5 -64,-0.4 -1,-0.3 0.480 109.7 126.6 78.6 2.0 -18.3 -16.8 37.8 90 82 A K E < -D 87 0A 142 -3,-2.2 -3,-1.6 -67,-0.2 2,-0.3 -0.818 62.2-124.4 -99.6 129.7 -15.2 -18.2 39.6 91 83 A M E +D 86 0A 108 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.547 32.6 171.3 -64.2 125.3 -14.8 -18.1 43.4 92 84 A L E - 0 0 58 -7,-3.0 2,-0.3 1,-0.4 -6,-0.2 0.549 53.1 -59.6-115.2 -14.2 -11.5 -16.3 44.2 93 85 A G E -D 85 0A 17 -8,-1.1 -8,-2.9 2,-0.0 -1,-0.4 -0.886 41.9-122.9 157.0 173.8 -11.7 -15.9 47.9 94 86 A H E -D 84 0A 102 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.975 2.4-152.3-143.3 160.6 -13.5 -14.5 50.9 95 87 A V E -D 83 0A 1 -12,-2.3 -12,-2.6 -2,-0.3 2,-0.5 -0.992 19.2-148.7-132.8 125.8 -12.9 -12.2 53.9 96 88 A I E -D 82 0A 57 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.832 53.5 -11.3-100.5 132.6 -15.0 -12.7 57.0 97 89 A G S S- 0 0 15 -16,-2.1 2,-2.3 -2,-0.5 -14,-0.1 -0.202 110.8 -24.1 79.2-171.7 -16.0 -9.9 59.3 98 90 A A S S+ 0 0 38 -18,-0.2 3,-0.1 1,-0.1 -1,-0.1 -0.443 86.7 127.8 -82.2 70.9 -14.9 -6.3 59.6 99 91 A N > + 0 0 79 -2,-2.3 4,-1.8 1,-0.1 3,-0.5 -0.522 16.0 156.5-129.7 61.5 -11.5 -6.7 58.0 100 92 A P H > S+ 0 0 26 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.841 75.6 58.9 -60.3 -32.6 -11.1 -4.2 55.2 101 93 A G H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.866 105.7 48.5 -63.5 -39.7 -7.3 -4.4 55.4 102 94 A M H > S+ 0 0 100 -3,-0.5 4,-2.5 2,-0.2 -1,-0.2 0.882 110.9 51.2 -65.4 -40.4 -7.4 -8.1 54.7 103 95 A L H X S+ 0 0 0 -4,-1.8 4,-2.6 2,-0.2 -2,-0.2 0.951 110.1 49.3 -61.3 -44.3 -9.8 -7.4 51.7 104 96 A R H X S+ 0 0 55 -4,-2.7 4,-2.5 1,-0.2 -2,-0.2 0.924 112.6 47.9 -59.5 -45.2 -7.3 -4.7 50.4 105 97 A Q H X S+ 0 0 82 -4,-2.2 4,-2.1 2,-0.2 -1,-0.2 0.923 111.2 50.2 -64.1 -40.5 -4.4 -7.1 50.7 106 98 A K H X S+ 0 0 67 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.926 111.8 47.4 -66.7 -41.9 -6.3 -9.9 49.0 107 99 A L H X S+ 0 0 0 -4,-2.6 4,-2.5 1,-0.2 5,-0.2 0.920 110.2 53.1 -64.2 -43.9 -7.3 -7.7 46.1 108 100 A R H X S+ 0 0 88 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.908 111.1 47.2 -54.4 -46.9 -3.8 -6.4 45.7 109 101 A D H X S+ 0 0 63 -4,-2.1 4,-1.3 2,-0.2 -1,-0.2 0.776 111.1 49.8 -71.6 -28.0 -2.5 -10.0 45.5 110 102 A I H < S+ 0 0 55 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.916 114.6 44.9 -72.8 -41.8 -5.1 -11.1 43.0 111 103 A I H < S+ 0 0 88 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.866 112.2 52.1 -70.3 -36.1 -4.3 -8.1 40.7 112 104 A K H < 0 0 152 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.897 360.0 360.0 -66.9 -43.2 -0.5 -8.5 41.0 113 105 A D < 0 0 168 -4,-1.3 -1,-0.2 -5,-0.1 -2,-0.2 0.532 360.0 360.0 -92.7 360.0 -0.4 -12.2 40.1