==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ELECTRON TRANSPORT 22-JUN-09 3HYP . COMPND 2 MOLECULE: THIOREDOXIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES FRAGILIS; . AUTHOR S.R.SHOULDICE . 236 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13121.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 66.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 22 9.3 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 . 21 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 62 26.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 3.4 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 0 0 2 2 0 0 2 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 0 0 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 PARALLEL BRIDGES PER LADDER . 0 0 0 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 23 A G 0 0 67 0, 0.0 181,-0.3 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0-115.6 -29.4 -13.3 -9.3 2 24 A T - 0 0 21 179,-0.1 2,-0.5 181,-0.1 181,-0.2 -0.475 360.0-136.8 -78.2 144.4 -28.3 -10.8 -12.0 3 25 A I E -a 183 0A 59 179,-2.6 181,-2.7 -2,-0.2 2,-0.2 -0.877 8.2-142.9-104.6 123.2 -29.7 -7.2 -12.0 4 26 A H E -a 184 0A 90 -2,-0.5 2,-0.4 179,-0.2 181,-0.2 -0.573 19.9-150.5 -76.5 145.4 -30.8 -5.5 -15.2 5 27 A L - 0 0 9 179,-2.3 181,-0.3 -2,-0.2 2,-0.2 -0.969 10.8-157.2-120.4 134.3 -30.1 -1.7 -15.5 6 28 A T > - 0 0 55 -2,-0.4 4,-2.6 179,-0.1 5,-0.1 -0.537 41.2-104.5 -85.2 170.6 -31.8 1.2 -17.3 7 29 A R H > S+ 0 0 48 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.923 123.5 52.0 -60.9 -41.9 -29.7 4.2 -18.0 8 30 A A H > S+ 0 0 48 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.869 111.3 45.8 -65.7 -36.9 -31.5 6.1 -15.2 9 31 A E H >> S+ 0 0 78 2,-0.2 4,-2.9 1,-0.2 3,-0.8 0.886 107.7 59.0 -69.2 -39.5 -30.6 3.3 -12.8 10 32 A F H 3X>S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.3 5,-0.9 0.893 103.2 52.8 -51.5 -42.8 -27.1 3.3 -14.2 11 33 A L H 3<5S+ 0 0 28 -4,-2.0 -1,-0.3 1,-0.2 -2,-0.2 0.752 115.2 40.9 -68.0 -24.7 -26.8 6.9 -13.1 12 34 A K H <<5S+ 0 0 151 -3,-0.8 -2,-0.2 -4,-0.7 -1,-0.2 0.842 129.0 24.6 -88.7 -37.8 -27.9 6.0 -9.6 13 35 A K H <5S+ 0 0 102 -4,-2.9 -3,-0.2 2,-0.1 -2,-0.2 0.603 130.6 25.5-112.0 -18.4 -26.0 2.8 -9.1 14 36 A I T <5S- 0 0 0 -4,-2.6 131,-3.2 -5,-0.4 132,-0.4 0.672 120.3 -32.2-107.4 -84.1 -22.9 2.9 -11.4 15 37 A A < - 0 0 3 -5,-0.9 2,-2.0 129,-0.2 3,-0.2 -0.992 37.3-134.8-144.4 134.2 -21.7 6.3 -12.4 16 38 A D + 0 0 49 127,-0.4 4,-0.2 -2,-0.3 -5,-0.1 -0.591 48.5 167.7 -79.4 76.5 -23.5 9.7 -12.9 17 39 A Y + 0 0 38 -2,-2.0 123,-0.3 2,-0.1 -1,-0.2 0.725 29.8 92.4 -78.9 -32.2 -21.4 9.9 -16.0 18 40 A E S S- 0 0 46 -3,-0.2 2,-1.6 1,-0.1 3,-0.3 -0.216 81.1-116.0 -63.9 153.6 -22.8 12.7 -18.2 19 41 A N S S+ 0 0 69 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.453 86.0 107.9 -81.5 61.2 -21.4 16.2 -17.9 20 42 A H + 0 0 113 -2,-1.6 -1,-0.2 -4,-0.2 -2,-0.1 0.109 52.6 81.3-126.2 19.0 -24.8 17.5 -16.7 21 43 A S + 0 0 51 -3,-0.3 -2,-0.1 -5,-0.1 -1,-0.1 0.577 54.8 130.6-102.0 -13.6 -23.9 18.1 -13.0 22 44 A K - 0 0 102 1,-0.1 2,-0.4 116,-0.1 115,-0.1 -0.157 42.2-157.5 -49.5 124.7 -22.3 21.5 -13.4 23 45 A E - 0 0 162 2,-0.0 2,-0.7 0, 0.0 -1,-0.1 -0.913 20.9-119.4-114.4 133.2 -23.7 23.9 -10.9 24 46 A W - 0 0 52 -2,-0.4 2,-0.5 1,-0.1 70,-0.3 -0.579 36.0-179.5 -65.0 110.8 -23.7 27.7 -11.1 25 47 A K - 0 0 138 -2,-0.7 109,-0.4 109,-0.1 -1,-0.1 -0.805 18.6-145.3-120.6 87.5 -21.7 28.6 -8.0 26 48 A Y - 0 0 17 -2,-0.5 107,-0.2 68,-0.2 106,-0.1 -0.196 7.4-159.8 -53.6 139.1 -21.5 32.4 -7.8 27 49 A L + 0 0 72 105,-2.6 105,-0.2 104,-0.1 -1,-0.1 0.569 53.5 97.7-105.4 -11.8 -18.2 33.6 -6.4 28 50 A G - 0 0 19 104,-0.3 4,-0.1 2,-0.1 104,-0.1 -0.178 66.9-136.9 -74.6 170.1 -18.9 37.1 -5.2 29 51 A D S S+ 0 0 112 1,-0.1 -1,-0.1 2,-0.1 63,-0.1 0.414 91.0 39.4-104.7 -2.9 -19.7 38.2 -1.6 30 52 A K S S- 0 0 65 61,-0.1 32,-0.1 62,-0.0 -2,-0.1 -0.977 97.4 -90.8-138.2 153.5 -22.4 40.5 -2.9 31 53 A P - 0 0 13 0, 0.0 32,-2.0 0, 0.0 2,-0.3 -0.219 51.2-161.8 -54.7 154.6 -25.0 40.4 -5.6 32 54 A A E -eF 63 90B 0 58,-2.0 58,-3.2 30,-0.2 2,-0.5 -0.991 25.2-139.4-148.1 147.4 -23.9 41.8 -8.9 33 55 A I E -eF 64 89B 0 30,-2.2 32,-3.4 -2,-0.3 2,-0.6 -0.934 19.1-159.1-100.8 131.7 -24.9 43.1 -12.3 34 56 A V E -eF 65 88B 0 54,-1.9 54,-2.7 -2,-0.5 2,-0.7 -0.942 7.8-162.5-110.8 113.9 -22.8 41.9 -15.2 35 57 A D E -eF 66 87B 1 30,-3.4 32,-3.7 -2,-0.6 2,-0.5 -0.835 4.7-158.2-100.3 117.2 -23.1 44.2 -18.2 36 58 A F E +eF 67 86B 0 50,-2.6 50,-0.7 -2,-0.7 2,-0.3 -0.807 28.6 159.4 -89.7 127.3 -22.0 42.9 -21.6 37 59 A Y E -e 68 0B 36 30,-2.8 32,-2.2 -2,-0.5 33,-0.4 -0.889 24.4-161.6-142.3 170.6 -21.2 45.7 -24.0 38 60 A A > - 0 0 3 -2,-0.3 3,-1.3 30,-0.2 6,-0.1 -0.982 32.2-118.2-153.1 157.3 -19.4 46.6 -27.1 39 61 A D T 3 S+ 0 0 133 -2,-0.3 6,-0.1 1,-0.3 -1,-0.1 0.796 114.3 57.5 -71.3 -26.1 -18.1 49.8 -28.8 40 62 A W T 3 S+ 0 0 159 -3,-0.0 2,-0.8 4,-0.0 -1,-0.3 0.487 84.8 106.7 -79.2 -0.2 -20.3 49.2 -31.8 41 63 A a <> - 0 0 4 -3,-1.3 4,-0.8 1,-0.2 -3,-0.1 -0.705 49.1-171.9 -90.6 109.2 -23.3 49.2 -29.5 42 64 A G H >> S+ 0 0 43 -2,-0.8 3,-1.6 1,-0.2 4,-0.6 0.973 82.1 48.8 -58.8 -62.3 -25.5 52.3 -29.8 43 65 A P H >> S+ 0 0 62 0, 0.0 3,-1.5 0, 0.0 4,-0.8 0.857 101.1 67.8 -54.7 -35.6 -28.0 51.8 -26.9 44 66 A a H >> S+ 0 0 10 1,-0.3 4,-2.6 2,-0.2 3,-2.0 0.881 86.3 70.4 -47.1 -43.9 -25.1 51.0 -24.6 45 67 A K H << S+ 0 0 170 -3,-1.6 -1,-0.3 -4,-0.8 -3,-0.1 0.854 106.8 35.8 -44.5 -43.1 -24.0 54.7 -24.9 46 68 A M H S+ 0 0 64 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.899 111.9 51.1 -47.4 -50.5 -23.9 56.7 -17.6 50 72 A I H X S+ 0 0 25 -4,-0.6 4,-2.6 1,-0.2 5,-0.3 0.972 108.8 50.2 -50.8 -60.2 -26.9 55.2 -15.8 51 73 A L H X S+ 0 0 1 -4,-2.4 4,-1.9 1,-0.3 -1,-0.2 0.883 109.3 51.1 -47.9 -49.5 -25.0 52.2 -14.7 52 74 A E H X S+ 0 0 65 -4,-2.4 4,-1.1 2,-0.2 -1,-0.3 0.932 110.3 50.5 -52.7 -48.5 -22.1 54.3 -13.3 53 75 A E H >X S+ 0 0 103 -4,-2.5 4,-2.1 -3,-0.3 3,-1.3 0.960 110.3 48.7 -53.2 -54.5 -24.7 56.3 -11.4 54 76 A L H 3X S+ 0 0 0 -4,-2.6 4,-1.7 1,-0.3 -1,-0.2 0.765 99.3 67.8 -56.8 -29.8 -26.2 53.2 -9.9 55 77 A S H 3< S+ 0 0 13 -4,-1.9 -1,-0.3 -5,-0.3 -2,-0.2 0.881 109.6 37.2 -58.1 -38.1 -22.8 52.0 -9.0 56 78 A K H X< S+ 0 0 123 -3,-1.3 3,-2.5 -4,-1.1 -2,-0.2 0.970 112.0 54.9 -75.5 -60.1 -22.8 54.8 -6.5 57 79 A E H 3< S+ 0 0 88 -4,-2.1 -2,-0.2 1,-0.3 -3,-0.2 0.741 123.3 30.7 -47.6 -26.4 -26.4 54.8 -5.3 58 80 A Y T >X S+ 0 0 9 -4,-1.7 4,-1.7 -5,-0.2 3,-1.7 0.227 84.3 146.2-121.7 11.4 -25.9 51.1 -4.5 59 81 A A T <4 S+ 0 0 64 -3,-2.5 2,-0.4 1,-0.2 4,-0.1 -0.129 71.6 21.1 -46.1 145.6 -22.2 51.0 -3.5 60 82 A G T 34 S+ 0 0 50 2,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.059 119.8 63.6 83.5 -34.8 -21.5 48.5 -0.7 61 83 A K T <4 S+ 0 0 118 -3,-1.7 2,-0.3 -2,-0.4 -2,-0.2 0.829 112.6 9.6 -90.9 -37.1 -24.7 46.5 -1.5 62 84 A I < - 0 0 9 -4,-1.7 2,-0.4 -7,-0.2 -2,-0.3 -0.981 62.0-132.7-140.7 153.9 -23.9 45.3 -5.1 63 85 A Y E -e 32 0B 56 -32,-2.0 -30,-2.2 -2,-0.3 2,-0.5 -0.838 15.9-153.7 -97.2 147.3 -21.1 45.2 -7.6 64 86 A I E -e 33 0B 4 -2,-0.4 57,-2.5 55,-0.3 2,-0.3 -0.934 16.1-170.4-121.5 108.3 -21.6 46.3 -11.2 65 87 A Y E -eg 34 121B 7 -32,-3.4 -30,-3.4 -2,-0.5 2,-0.4 -0.668 9.7-154.7 -99.6 152.2 -19.3 44.7 -13.7 66 88 A K E -eg 35 122B 17 55,-2.4 57,-2.6 -2,-0.3 2,-0.5 -0.987 5.2-166.4-125.6 131.0 -18.8 45.5 -17.4 67 89 A V E -e 36 0B 1 -32,-3.7 -30,-2.8 -2,-0.4 2,-1.0 -0.971 13.8-146.2-119.8 124.8 -17.6 43.0 -20.0 68 90 A N E >> -e 37 0B 12 -2,-0.5 3,-1.6 55,-0.4 4,-0.8 -0.776 7.8-160.9 -90.3 103.6 -16.4 44.1 -23.4 69 91 A V T 34 S+ 0 0 16 -32,-2.2 7,-0.2 -2,-1.0 3,-0.2 0.743 86.8 62.6 -57.4 -25.9 -17.4 41.3 -25.7 70 92 A D T 34 S+ 0 0 89 -33,-0.4 -1,-0.3 1,-0.2 -32,-0.1 0.817 110.8 37.9 -70.1 -27.9 -14.9 42.5 -28.4 71 93 A K T <4 S+ 0 0 155 -3,-1.6 -1,-0.2 1,-0.2 -2,-0.2 0.480 120.9 46.6-101.0 -5.6 -12.0 41.9 -26.0 72 94 A E X + 0 0 34 -4,-0.8 4,-2.1 -3,-0.2 -1,-0.2 -0.508 60.9 158.0-134.9 66.5 -13.5 38.7 -24.5 73 95 A P H > S+ 0 0 64 0, 0.0 4,-3.5 0, 0.0 5,-0.2 0.908 73.7 54.0 -62.1 -43.9 -14.7 36.5 -27.4 74 96 A E H > S+ 0 0 72 1,-0.2 4,-3.8 2,-0.2 5,-0.3 0.908 108.8 49.6 -57.5 -44.3 -14.6 33.2 -25.5 75 97 A L H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.951 114.8 43.8 -59.8 -50.9 -16.7 34.6 -22.7 76 98 A A H <>S+ 0 0 15 -4,-2.1 5,-1.8 -7,-0.2 3,-0.4 0.978 119.1 43.4 -56.9 -57.3 -19.3 36.0 -25.1 77 99 A R H ><5S+ 0 0 172 -4,-3.5 3,-2.5 1,-0.2 -2,-0.2 0.955 110.7 53.7 -53.6 -57.8 -19.3 32.8 -27.2 78 100 A D H 3<5S+ 0 0 66 -4,-3.8 -1,-0.2 1,-0.3 -2,-0.2 0.817 112.4 45.6 -48.3 -37.3 -19.3 30.4 -24.2 79 101 A F T 3<5S- 0 0 57 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.314 110.8-118.6 -96.5 10.3 -22.4 32.1 -22.8 80 102 A G T < 5 - 0 0 48 -3,-2.5 2,-0.3 -4,-0.3 -3,-0.2 0.876 33.7-164.4 58.5 40.7 -24.3 32.3 -26.0 81 103 A I < - 0 0 37 -5,-1.8 -1,-0.2 1,-0.2 3,-0.1 -0.447 7.7-173.5 -54.5 116.2 -24.5 36.1 -26.2 82 104 A Q - 0 0 163 -2,-0.3 2,-0.3 1,-0.3 -1,-0.2 0.798 59.2 -22.1 -89.3 -31.8 -27.3 36.7 -28.8 83 105 A G S S- 0 0 31 18,-0.0 -1,-0.3 0, 0.0 18,-0.1 -0.956 81.4 -54.3-167.0 178.8 -27.0 40.5 -29.0 84 106 A I S S+ 0 0 29 -2,-0.3 18,-0.2 1,-0.2 -47,-0.1 -0.974 102.7 29.9-130.2 136.5 -25.8 43.6 -27.3 85 107 A P + 0 0 3 0, 0.0 16,-1.6 0, 0.0 2,-0.4 0.401 69.2 170.0 -86.9 144.3 -26.4 44.8 -24.7 86 108 A T E -FH 36 100B 3 -50,-0.7 -50,-2.6 14,-0.2 2,-0.4 -0.913 14.8-163.4-104.2 142.1 -27.1 41.7 -22.7 87 109 A I E -FH 35 99B 1 12,-2.5 12,-2.4 -2,-0.4 2,-0.4 -0.992 4.0-154.8-130.9 135.5 -27.3 42.3 -18.9 88 110 A W E -FH 34 98B 13 -54,-2.7 -54,-1.9 -2,-0.4 2,-0.6 -0.896 6.5-159.7-110.7 140.3 -27.1 39.8 -16.1 89 111 A F E -FH 33 97B 1 8,-2.6 8,-2.1 -2,-0.4 -56,-0.2 -0.968 17.1-164.7-112.5 112.5 -28.6 40.1 -12.6 90 112 A V E -F 32 0B 0 -58,-3.2 -58,-2.0 -2,-0.6 5,-0.1 -0.859 1.2-160.8-108.5 106.3 -26.7 37.7 -10.4 91 113 A P - 0 0 15 0, 0.0 -59,-0.1 0, 0.0 3,-0.1 0.082 35.2-107.5 -62.2-175.8 -28.3 36.8 -7.0 92 114 A M S S+ 0 0 78 1,-0.3 2,-0.3 24,-0.2 -66,-0.1 0.633 107.7 17.6 -93.6 -18.7 -26.1 35.3 -4.2 93 115 A K S S+ 0 0 171 2,-0.1 -1,-0.3 -68,-0.1 2,-0.1 -0.978 109.3 38.7-145.9 147.4 -27.8 32.0 -4.8 94 116 A G S S- 0 0 46 -2,-0.3 -68,-0.2 -70,-0.3 0, 0.0 -0.184 93.6 -48.1 97.8 166.4 -29.8 30.8 -7.8 95 117 A E - 0 0 138 1,-0.1 -2,-0.1 -5,-0.1 2,-0.1 -0.419 62.3-100.7 -77.8 146.1 -29.3 31.3 -11.5 96 118 A P - 0 0 22 0, 0.0 2,-0.5 0, 0.0 -6,-0.2 -0.388 29.5-127.6 -60.4 137.2 -28.7 34.8 -13.1 97 119 A Q E -H 89 0B 114 -8,-2.1 -8,-2.6 -2,-0.1 2,-0.5 -0.800 28.4-155.1 -82.0 127.6 -31.7 36.5 -14.6 98 120 A V E -H 88 0B 78 -2,-0.5 2,-0.4 -10,-0.2 -10,-0.2 -0.930 14.8-178.6-110.3 126.4 -30.7 37.5 -18.1 99 121 A N E -H 87 0B 47 -12,-2.4 -12,-2.5 -2,-0.5 2,-0.2 -0.993 13.0-150.9-121.4 130.6 -32.3 40.3 -20.0 100 122 A M E +H 86 0B 91 -2,-0.4 -14,-0.2 -14,-0.2 -16,-0.1 -0.537 59.7 34.8 -87.0 161.5 -31.3 41.3 -23.6 101 123 A G S S- 0 0 34 -16,-1.6 -14,-0.1 -2,-0.2 -2,-0.1 0.252 97.1 -55.0 77.0 156.3 -31.6 44.9 -24.9 102 124 A A - 0 0 44 -18,-0.2 2,-0.3 1,-0.1 -15,-0.1 0.045 53.1-160.5 -60.6 170.9 -31.1 48.2 -23.1 103 125 A L - 0 0 14 -4,-0.0 2,-0.3 4,-0.0 -1,-0.1 -0.848 12.4-110.8-143.9-179.1 -32.9 49.2 -19.9 104 126 A S > - 0 0 41 -2,-0.3 4,-3.5 1,-0.1 5,-0.2 -0.889 29.8-110.9-122.1 152.1 -33.8 52.2 -17.7 105 127 A K H > S+ 0 0 68 -2,-0.3 4,-2.6 1,-0.2 5,-0.3 0.882 123.0 48.9 -37.6 -48.7 -32.8 53.5 -14.3 106 128 A E H > S+ 0 0 169 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.941 113.0 44.2 -62.3 -50.5 -36.3 52.5 -13.2 107 129 A Q H > S+ 0 0 100 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.927 115.7 48.3 -62.5 -47.3 -36.3 49.0 -14.7 108 130 A L H X S+ 0 0 0 -4,-3.5 4,-3.1 2,-0.2 3,-0.4 0.987 110.7 48.5 -55.5 -64.5 -32.7 48.3 -13.4 109 131 A K H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.3 5,-0.3 0.866 109.6 58.1 -42.0 -41.0 -33.5 49.6 -9.9 110 132 A G H X S+ 0 0 38 -4,-2.1 4,-2.2 -5,-0.3 5,-0.4 0.961 111.4 37.6 -53.3 -56.3 -36.5 47.3 -10.2 111 133 A Y H X>S+ 0 0 66 -4,-2.4 4,-1.7 -3,-0.4 5,-1.2 0.829 115.6 55.9 -65.4 -33.6 -34.4 44.2 -10.9 112 134 A I H <>S+ 0 0 0 -4,-3.1 5,-0.5 3,-0.2 -1,-0.2 0.843 114.1 36.6 -70.9 -36.0 -31.8 45.4 -8.4 113 135 A D H <5S+ 0 0 76 -4,-2.4 4,-0.3 -5,-0.3 -2,-0.2 0.894 126.9 34.9 -84.8 -42.5 -34.2 45.7 -5.4 114 136 A K H <5S+ 0 0 168 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.938 129.1 28.5 -77.8 -51.2 -36.4 42.7 -6.2 115 137 A V T <5S+ 0 0 41 -4,-1.7 -3,-0.2 -5,-0.4 -2,-0.1 0.835 129.2 36.0 -86.0 -35.3 -34.0 40.1 -7.7 116 138 A L T < 0 0 14 -5,-1.2 -24,-0.2 -25,-0.1 -3,-0.2 0.852 360.0 360.0 -86.8 -34.9 -30.8 41.1 -6.0 117 139 A L < 0 0 105 -5,-0.5 -3,-0.2 -4,-0.3 -2,-0.1 0.369 360.0 360.0-134.3 360.0 -32.0 42.1 -2.5 118 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 119 23 B G 0 0 63 0, 0.0 -55,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-163.5 -17.8 53.2 -10.1 120 24 B T - 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0 0 47 -3,-2.0 -3,-0.2 1,-0.2 -2,-0.1 0.676 43.0-179.4 54.8 21.0 -18.7 3.1 -27.4 199 103 B I < + 0 0 31 -5,-1.8 -1,-0.2 -6,-0.2 3,-0.1 -0.247 17.9 145.6 -49.4 135.9 -20.0 -0.4 -27.1 200 104 B Q + 0 0 169 1,-0.5 2,-0.2 3,-0.0 -1,-0.2 0.449 48.7 59.6-140.5 -64.4 -19.2 -2.4 -30.3 201 105 B G S S- 0 0 26 2,-0.1 -1,-0.5 18,-0.0 18,-0.2 -0.564 89.9-103.5 -74.1 139.9 -18.4 -6.1 -29.8 202 106 B I S S+ 0 0 35 -2,-0.2 18,-0.2 1,-0.1 -42,-0.2 -0.965 100.8 28.4-119.1 129.5 -21.2 -8.1 -28.1 203 107 B P S S- 0 0 0 0, 0.0 16,-2.3 0, 0.0 2,-0.5 0.573 75.7-173.2 -80.8 161.0 -21.1 -8.9 -25.4 204 108 B T E -CD 154 218A 4 -50,-2.1 -50,-3.2 14,-0.2 2,-0.4 -0.988 12.4-159.4-112.5 126.0 -19.0 -6.2 -23.9 205 109 B I E -CD 153 217A 0 12,-2.0 12,-2.6 -2,-0.5 2,-0.4 -0.899 6.0-161.4-115.7 133.8 -18.1 -6.9 -20.3 206 110 B W E -CD 152 216A 18 -54,-2.8 -54,-2.8 -2,-0.4 2,-0.6 -0.924 7.2-162.6-115.1 133.8 -17.1 -4.5 -17.6 207 111 B F E -CD 151 215A 1 8,-2.3 8,-2.0 -2,-0.4 -56,-0.2 -0.956 17.0-169.3-114.2 111.0 -15.4 -5.2 -14.3 208 112 B V E -C 150 0A 0 -58,-3.3 -58,-3.0 -2,-0.6 2,-0.1 -0.909 3.1-161.2-111.6 119.9 -15.8 -2.3 -12.0 209 113 B P - 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