==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 18-DEC-01 1KNG . COMPND 2 MOLECULE: THIOL:DISULFIDE INTERCHANGE PROTEIN CYCY; . SOURCE 2 ORGANISM_SCIENTIFIC: BRADYRHIZOBIUM JAPONICUM; . AUTHOR M.A.EDELING,L.W.GUDDAT,R.A.FABIANEK,L.THONY-MEYER,J.L.MARTIN . 144 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7062.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 9.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 20 13.9 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 . 1 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.7 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 . 15 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 21.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.1 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 1 0 0 1 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 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 PARALLEL BRIDGES PER LADDER . 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 50 A R 0 0 96 0, 0.0 118,-2.6 0, 0.0 116,-0.0 0.000 360.0 360.0 360.0 154.0 -3.9 -1.4 18.9 2 51 A P B -A 118 0A 99 0, 0.0 116,-0.3 0, 0.0 115,-0.1 -0.317 360.0-102.4 -55.5 139.1 -4.2 -0.8 15.1 3 52 A A - 0 0 2 114,-3.0 99,-0.1 1,-0.1 26,-0.0 -0.385 49.5 -90.7 -57.3 141.3 -1.2 1.0 13.7 4 53 A P - 0 0 21 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.285 29.9-126.6 -57.3 146.1 -2.1 4.6 13.0 5 54 A Q + 0 0 133 -3,-0.1 2,-0.3 2,-0.0 22,-0.1 -0.061 56.2 148.9 -90.1 38.2 -3.5 5.2 9.5 6 55 A T - 0 0 11 -2,-0.2 2,-0.4 92,-0.1 92,-0.0 -0.532 31.8-159.7 -76.5 126.8 -0.9 8.0 8.8 7 56 A A - 0 0 69 -2,-0.3 18,-0.2 18,-0.1 -2,-0.0 -0.909 12.2-174.1-106.5 139.3 0.3 8.4 5.3 8 57 A L B -B 24 0B 22 16,-2.1 16,-1.8 -2,-0.4 85,-0.1 -0.982 23.2-115.9-134.7 142.0 3.6 10.3 4.7 9 58 A P - 0 0 80 0, 0.0 83,-2.8 0, 0.0 15,-0.1 -0.301 39.9-101.2 -71.5 161.4 5.5 11.4 1.6 10 59 A P - 0 0 53 0, 0.0 2,-0.9 0, 0.0 81,-0.2 -0.194 29.1-101.1 -76.8 170.0 8.8 10.0 0.7 11 60 A L > - 0 0 5 79,-0.5 3,-1.9 10,-0.3 10,-0.3 -0.860 48.5-125.9 -88.9 100.3 12.4 11.4 1.1 12 61 A E T 3 S+ 0 0 134 -2,-0.9 3,-0.1 1,-0.3 65,-0.1 -0.348 88.4 20.4 -54.9 131.6 13.0 12.6 -2.4 13 62 A G T 3 S+ 0 0 42 1,-0.3 2,-0.6 8,-0.1 -1,-0.3 0.305 83.4 129.0 91.1 -4.9 16.2 11.2 -3.9 14 63 A L < - 0 0 18 -3,-1.9 7,-2.8 7,-0.2 2,-0.3 -0.747 39.8-173.7 -80.7 121.5 16.5 8.2 -1.7 15 64 A Q E -C 20 0C 113 -2,-0.6 2,-0.3 5,-0.3 5,-0.2 -0.865 21.9-175.0-121.4 152.5 17.0 5.2 -4.0 16 65 A A E > S-C 19 0C 42 3,-2.5 3,-1.8 -2,-0.3 -2,-0.0 -0.983 84.0 -1.8-142.1 130.9 17.2 1.5 -3.6 17 66 A D T 3 S- 0 0 158 -2,-0.3 3,-0.1 1,-0.3 -1,-0.1 0.865 132.7 -59.5 52.3 38.4 18.0 -0.8 -6.5 18 67 A N T 3 S+ 0 0 145 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.617 117.8 97.9 70.4 18.4 18.1 2.4 -8.7 19 68 A V E < S-C 16 0C 94 -3,-1.8 -3,-2.5 -6,-0.0 -1,-0.2 -0.960 82.7 -88.1-133.7 152.9 14.5 3.5 -8.0 20 69 A Q E -C 15 0C 62 -2,-0.3 -5,-0.3 -5,-0.2 -8,-0.1 -0.318 39.9-122.3 -55.1 132.4 12.9 5.9 -5.5 21 70 A V - 0 0 5 -7,-2.8 -10,-0.3 -10,-0.3 -7,-0.2 -0.627 34.6-124.0 -73.4 125.3 12.1 4.5 -2.1 22 71 A P - 0 0 60 0, 0.0 68,-2.4 0, 0.0 -11,-0.2 -0.192 17.7-118.1 -69.3 166.7 8.4 5.0 -1.5 23 72 A G - 0 0 10 66,-0.2 2,-0.6 -13,-0.1 68,-0.3 0.196 47.7 -63.2 -79.3-159.5 6.8 6.8 1.4 24 73 A L B +B 8 0B 4 -16,-1.8 -16,-2.1 66,-0.1 -1,-0.1 -0.888 46.6 170.4-103.7 117.0 4.5 5.5 4.1 25 74 A D > - 0 0 80 -2,-0.6 3,-2.2 -18,-0.2 4,-0.2 -0.994 32.7-138.7-114.2 123.5 1.1 4.1 3.0 26 75 A P G > S+ 0 0 17 0, 0.0 3,-1.6 0, 0.0 4,-0.3 0.723 97.5 73.5 -61.4 -16.9 -0.6 2.3 6.0 27 76 A A G > S+ 0 0 71 1,-0.3 3,-1.0 2,-0.2 -22,-0.0 0.726 80.6 75.6 -64.9 -20.2 -1.8 -0.5 3.7 28 77 A A G < S+ 0 0 13 -3,-2.2 -1,-0.3 1,-0.2 89,-0.1 0.647 82.9 65.3 -67.7 -16.2 1.8 -1.7 3.6 29 78 A F G X S+ 0 0 3 -3,-1.6 3,-1.6 -4,-0.2 88,-0.4 0.808 76.4 102.0 -77.0 -28.6 1.6 -3.2 7.0 30 79 A K T < S+ 0 0 135 -3,-1.0 86,-0.2 -4,-0.3 85,-0.1 -0.289 91.5 8.2 -64.1 130.4 -1.0 -5.9 6.2 31 80 A G T 3 S+ 0 0 35 84,-3.0 2,-0.3 1,-0.3 -1,-0.2 0.438 114.4 86.6 90.5 -6.9 0.4 -9.3 5.7 32 81 A K S < S- 0 0 96 -3,-1.6 2,-0.6 82,-0.3 85,-0.3 -0.777 74.0-123.9-123.5 160.1 3.9 -8.5 6.9 33 82 A V - 0 0 1 28,-0.4 30,-2.3 -2,-0.3 2,-0.3 -0.984 43.5-173.5-103.1 119.1 6.0 -8.3 10.1 34 83 A S E -dE 63 113D 0 79,-2.8 79,-2.5 -2,-0.6 2,-0.5 -0.882 26.4-150.7-120.9 144.8 7.3 -4.7 10.1 35 84 A L E -dE 64 112D 0 28,-2.4 30,-3.1 -2,-0.3 2,-0.5 -0.977 16.3-162.4-106.1 130.4 9.8 -2.8 12.2 36 85 A V E -dE 65 111D 0 75,-2.7 75,-2.7 -2,-0.5 2,-0.5 -0.961 7.1-171.7-116.9 117.2 9.0 1.0 12.3 37 86 A N E -dE 66 110D 2 28,-2.5 30,-2.6 -2,-0.5 2,-0.5 -0.955 11.6-154.2-113.1 131.9 11.9 3.2 13.5 38 87 A V E +dE 67 109D 0 71,-2.6 71,-0.9 -2,-0.5 2,-0.3 -0.916 34.3 152.7-109.0 119.6 11.4 6.9 14.2 39 88 A W E -d 68 0D 2 28,-2.4 30,-2.7 -2,-0.5 2,-0.3 -0.924 30.4-160.9-147.0 162.0 14.7 8.7 13.7 40 89 A A > - 0 0 0 -2,-0.3 3,-1.4 28,-0.2 6,-0.2 -0.991 30.2-123.3-147.9 151.4 16.4 12.0 12.9 41 90 A S T 3 S+ 0 0 17 -2,-0.3 6,-0.1 1,-0.3 30,-0.1 0.723 111.5 54.1 -66.2 -22.8 19.9 12.9 11.7 42 91 A W T 3 S+ 0 0 137 4,-0.0 2,-0.5 5,-0.0 -1,-0.3 0.450 85.1 104.3 -88.2 -5.4 20.4 15.3 14.7 43 92 A a <> - 0 0 5 -3,-1.4 4,-1.1 1,-0.1 3,-0.2 -0.735 61.4-152.7 -87.3 123.1 19.5 12.6 17.2 44 93 A V H >> S+ 0 0 107 -2,-0.5 4,-1.4 1,-0.2 3,-1.0 0.940 94.0 45.7 -67.3 -51.4 22.5 11.2 19.0 45 94 A P H 3> S+ 0 0 43 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.781 103.7 67.1 -63.2 -21.0 21.2 7.7 19.9 46 95 A a H 3> S+ 0 0 1 1,-0.2 4,-1.0 2,-0.2 -2,-0.2 0.869 101.0 47.6 -65.3 -37.3 19.9 7.5 16.3 47 96 A H H << S+ 0 0 55 -4,-1.1 3,-0.3 -3,-1.0 -1,-0.2 0.913 109.4 54.4 -66.0 -42.3 23.6 7.5 15.1 48 97 A D H < S+ 0 0 115 -4,-1.4 4,-0.3 1,-0.2 -2,-0.2 0.874 114.2 39.4 -60.4 -41.8 24.5 4.8 17.7 49 98 A E H >X S+ 0 0 1 -4,-1.9 4,-1.8 1,-0.2 3,-0.7 0.661 92.0 88.6 -84.1 -16.8 21.7 2.5 16.5 50 99 A A H 3X S+ 0 0 6 -4,-1.0 4,-2.3 -3,-0.3 5,-0.2 0.903 84.9 51.3 -56.9 -46.2 22.0 3.1 12.7 51 100 A P H 3> S+ 0 0 65 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.868 108.3 54.5 -63.4 -28.3 24.7 0.4 12.0 52 101 A L H <> S+ 0 0 41 -3,-0.7 4,-2.1 -4,-0.3 -2,-0.2 0.887 108.1 48.1 -69.1 -40.3 22.6 -2.2 13.8 53 102 A L H X S+ 0 0 6 -4,-1.8 4,-2.4 2,-0.2 -1,-0.2 0.915 106.1 58.4 -67.4 -38.7 19.5 -1.4 11.6 54 103 A T H < S+ 0 0 49 -4,-2.3 4,-0.4 1,-0.2 -2,-0.2 0.943 109.7 44.2 -56.7 -45.0 21.7 -1.6 8.5 55 104 A E H >< S+ 0 0 146 -4,-1.7 3,-1.6 1,-0.2 4,-0.3 0.948 111.1 52.8 -63.1 -42.5 22.5 -5.2 9.5 56 105 A L H >< S+ 0 0 12 -4,-2.1 3,-2.2 1,-0.3 -1,-0.2 0.891 98.2 67.3 -62.2 -38.0 18.9 -6.1 10.4 57 106 A G T 3< S+ 0 0 34 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.662 85.7 69.8 -58.4 -15.5 17.9 -4.8 6.9 58 107 A K T < S+ 0 0 83 -3,-1.6 2,-1.0 -4,-0.4 -1,-0.3 0.700 78.3 91.9 -71.9 -18.7 19.7 -7.8 5.4 59 108 A D X - 0 0 43 -3,-2.2 3,-1.5 -4,-0.3 -1,-0.1 -0.668 61.8-165.6 -86.2 103.1 17.0 -10.1 6.8 60 109 A K T 3 S+ 0 0 98 -2,-1.0 -1,-0.2 1,-0.3 -3,-0.1 0.477 74.1 81.1 -73.3 -1.5 14.4 -10.4 4.1 61 110 A R T 3 S+ 0 0 115 -29,-0.0 -28,-0.4 2,-0.0 2,-0.3 0.735 92.7 55.8 -72.5 -18.6 11.7 -11.9 6.4 62 111 A F S < S- 0 0 20 -3,-1.5 2,-0.5 -6,-0.2 -28,-0.2 -0.816 73.2-133.0-121.0 153.3 10.9 -8.4 7.7 63 112 A Q E -d 34 0D 33 -30,-2.3 -28,-2.4 -2,-0.3 2,-0.5 -0.920 21.9-155.6-100.3 127.0 9.8 -5.1 6.3 64 113 A L E -d 35 0D 6 -2,-0.5 24,-2.1 22,-0.2 25,-1.1 -0.911 11.6-173.9-107.6 128.3 11.7 -2.1 7.7 65 114 A V E -df 36 89D 0 -30,-3.1 -28,-2.5 -2,-0.5 2,-0.4 -0.975 7.1-156.0-123.4 130.3 9.9 1.3 7.7 66 115 A G E -df 37 90D 0 23,-2.6 25,-2.8 -2,-0.4 2,-0.5 -0.900 7.4-161.9-108.1 138.4 11.5 4.5 8.7 67 116 A I E -df 38 91D 0 -30,-2.6 -28,-2.4 -2,-0.4 2,-0.7 -0.987 15.8-150.3-113.3 112.7 9.8 7.7 9.9 68 117 A N E -df 39 92D 1 23,-2.8 25,-3.0 -2,-0.5 2,-0.5 -0.785 17.8-151.1 -90.6 115.2 12.1 10.7 9.5 69 118 A Y E - f 0 93D 31 -30,-2.7 25,-0.2 -2,-0.7 -28,-0.1 -0.792 56.3 -31.1-102.0 118.2 11.2 13.2 12.2 70 119 A K S S+ 0 0 105 23,-2.4 2,-0.4 -2,-0.5 -1,-0.2 0.844 96.1 139.6 51.0 52.3 11.6 16.9 12.1 71 120 A D - 0 0 17 -3,-0.3 -1,-0.2 -32,-0.1 2,-0.1 -0.977 56.7-115.3-136.2 137.4 14.7 16.7 9.8 72 121 A A > - 0 0 56 -2,-0.4 4,-2.3 1,-0.1 3,-0.5 -0.434 29.9-123.5 -70.4 139.8 15.9 18.6 6.8 73 122 A A H > S+ 0 0 43 1,-0.3 4,-2.7 2,-0.2 5,-0.2 0.863 108.6 53.0 -57.4 -43.0 16.0 16.6 3.6 74 123 A D H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.895 112.4 46.1 -59.5 -41.3 19.7 17.2 2.9 75 124 A N H > S+ 0 0 90 -3,-0.5 4,-2.2 2,-0.2 -2,-0.2 0.873 111.7 50.4 -71.7 -38.1 20.6 16.0 6.4 76 125 A A H X S+ 0 0 0 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.928 111.8 48.6 -64.9 -42.1 18.3 12.9 6.2 77 126 A R H X S+ 0 0 83 -4,-2.7 4,-2.2 1,-0.2 -2,-0.2 0.897 110.8 51.1 -65.9 -40.3 19.9 12.0 2.9 78 127 A R H X S+ 0 0 164 -4,-2.2 4,-1.8 -5,-0.2 -1,-0.2 0.914 108.8 52.3 -59.1 -47.2 23.4 12.4 4.3 79 128 A F H X S+ 0 0 11 -4,-2.2 4,-2.1 1,-0.2 5,-0.3 0.922 112.2 43.0 -56.6 -52.4 22.5 10.2 7.3 80 129 A L H X S+ 0 0 6 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.853 113.1 53.2 -69.3 -27.8 21.3 7.3 5.2 81 130 A G H < S+ 0 0 68 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.803 111.1 48.4 -71.8 -26.8 24.2 7.7 2.8 82 131 A R H < S+ 0 0 154 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.892 127.3 21.1 -77.0 -43.9 26.6 7.5 5.7 83 132 A Y H < S- 0 0 48 -4,-2.1 -2,-0.2 1,-0.2 -3,-0.2 0.563 113.2-106.4-102.6 -12.3 25.2 4.4 7.5 84 133 A G < - 0 0 29 -4,-1.7 -1,-0.2 -5,-0.3 -2,-0.1 -0.009 31.0 -90.7 93.4 155.7 23.3 2.8 4.6 85 134 A N + 0 0 46 1,-0.1 -5,-0.0 -70,-0.1 -1,-0.0 -0.889 39.0 171.5-105.2 107.4 19.6 2.6 4.1 86 135 A P + 0 0 19 0, 0.0 2,-0.3 0, 0.0 -22,-0.2 0.500 49.6 102.0 -87.3 -6.3 17.9 -0.4 5.7 87 136 A F - 0 0 10 1,-0.1 -22,-0.2 -24,-0.1 3,-0.1 -0.656 52.6-164.7 -92.3 134.9 14.4 0.7 5.0 88 137 A G S S+ 0 0 48 -24,-2.1 2,-0.3 -2,-0.3 -23,-0.2 0.687 89.2 24.9 -77.9 -22.2 12.1 -0.4 2.3 89 138 A R E -f 65 0D 60 -25,-1.1 -23,-2.6 -68,-0.1 2,-0.4 -0.989 66.9-171.2-140.4 138.1 9.8 2.6 2.9 90 139 A V E -f 66 0D 0 -68,-2.4 -79,-0.5 -2,-0.3 2,-0.4 -0.979 6.1-167.3-132.8 120.0 10.8 6.0 4.4 91 140 A G E -f 67 0D 0 -25,-2.8 -23,-2.8 -2,-0.4 2,-0.5 -0.888 16.6-134.0-105.0 141.1 8.1 8.5 5.3 92 141 A V E -f 68 0D 26 -83,-2.8 2,-0.6 -2,-0.4 -23,-0.2 -0.817 17.4-175.5 -99.6 123.3 8.9 12.1 6.1 93 142 A D E > +f 69 0D 3 -25,-3.0 -23,-2.4 -2,-0.5 3,-0.7 -0.766 11.9 171.0-113.0 76.1 7.2 13.6 9.2 94 143 A A T 3 S+ 0 0 73 -2,-0.6 -1,-0.1 1,-0.2 -25,-0.0 0.777 76.9 33.3 -65.4 -32.1 8.5 17.1 8.9 95 144 A N T 3 S- 0 0 105 -3,-0.1 -1,-0.2 -25,-0.1 -26,-0.1 0.378 105.1-118.9-104.8 -0.9 6.3 18.7 11.6 96 145 A G S <> S+ 0 0 3 -3,-0.7 4,-1.6 -28,-0.2 -2,-0.1 0.454 77.2 124.1 78.7 0.1 6.1 15.6 13.9 97 146 A R H > S+ 0 0 181 1,-0.2 4,-1.3 2,-0.2 -1,-0.1 0.872 72.0 48.5 -68.6 -34.3 2.4 15.3 13.6 98 147 A A H > S+ 0 0 7 1,-0.2 4,-1.4 2,-0.2 3,-0.3 0.930 107.6 55.9 -67.1 -40.8 2.4 11.7 12.5 99 148 A S H 4>S+ 0 0 2 1,-0.2 5,-2.5 2,-0.2 4,-0.4 0.856 101.6 57.8 -63.8 -30.7 4.8 10.8 15.3 100 149 A I H ><5S+ 0 0 121 -4,-1.6 3,-1.4 1,-0.2 -1,-0.2 0.917 103.1 53.0 -65.1 -37.4 2.3 12.2 17.8 101 150 A E H 3<5S+ 0 0 115 -4,-1.3 -1,-0.2 -3,-0.3 -2,-0.2 0.855 107.4 52.2 -63.7 -33.0 -0.3 9.8 16.5 102 151 A W T 3<5S- 0 0 10 -4,-1.4 -1,-0.3 -3,-0.1 -2,-0.2 0.497 118.4-114.7 -75.7 -8.0 2.1 6.9 17.0 103 152 A G T < 5 + 0 0 48 -3,-1.4 2,-0.5 -4,-0.4 -3,-0.2 0.776 51.8 172.7 81.3 24.3 2.7 8.1 20.6 104 153 A V < - 0 0 20 -5,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.547 21.1-172.1 -75.9 121.5 6.3 9.0 20.1 105 154 A Y - 0 0 93 -2,-0.5 2,-0.3 1,-0.3 -1,-0.2 0.854 68.7 -41.9 -75.8 -32.3 7.8 10.8 23.2 106 155 A G S S- 0 0 29 -7,-0.1 -1,-0.3 -68,-0.0 19,-0.2 -0.950 89.2 -33.1 177.2 169.9 11.1 11.7 21.4 107 156 A V S S+ 0 0 26 -2,-0.3 -68,-0.1 -3,-0.1 -61,-0.1 -0.740 100.4 37.6 -99.9 151.2 13.4 9.9 19.0 108 157 A P + 0 0 5 0, 0.0 17,-1.8 0, 0.0 2,-0.3 0.574 66.2 148.3 -89.4 154.6 14.4 7.2 18.6 109 158 A E E -EG 38 124D 4 -71,-0.9 -71,-2.6 15,-0.2 2,-0.4 -0.972 25.5-155.8-138.2 149.7 11.5 4.8 19.2 110 159 A T E -EG 37 123D 0 13,-2.5 13,-3.1 -2,-0.3 2,-0.3 -0.988 6.1-168.2-129.3 138.9 10.9 1.5 17.5 111 160 A F E -EG 36 122D 4 -75,-2.7 -75,-2.7 -2,-0.4 2,-0.5 -0.912 14.4-145.0-123.7 146.4 7.6 -0.4 16.9 112 161 A V E -EG 35 121D 0 9,-2.7 8,-2.5 -2,-0.3 9,-1.2 -0.977 17.6-165.7-106.9 128.6 6.9 -3.9 15.8 113 162 A V E -EG 34 119D 0 -79,-2.5 -79,-2.8 -2,-0.5 6,-0.2 -0.958 10.7-144.9-118.4 125.3 3.7 -4.3 13.6 114 163 A G > - 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0 0 46 0, 0.0 2,-0.3 0, 0.0 5,-0.1 -0.297 58.3-110.7 -72.1 156.5 18.0 3.1 20.8 127 176 A I - 0 0 4 -82,-0.1 -75,-0.1 -4,-0.1 -74,-0.1 -0.657 40.8-172.2 -73.0 135.2 18.4 -0.5 19.6 128 177 A T > - 0 0 50 -2,-0.3 4,-2.5 -76,-0.1 5,-0.3 -0.837 38.9-102.5-124.5 165.7 21.4 -2.0 21.2 129 178 A P H > S+ 0 0 90 0, 0.0 4,-2.4 0, 0.0 5,-0.3 0.925 121.9 47.8 -56.7 -41.3 23.1 -5.3 20.5 130 179 A D H > S+ 0 0 131 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.924 114.5 42.6 -69.6 -46.2 21.6 -6.8 23.6 131 180 A N H >>S+ 0 0 30 2,-0.2 5,-3.3 1,-0.2 4,-1.3 0.829 114.5 52.9 -75.9 -22.0 18.0 -5.6 23.1 132 181 A L H <>S+ 0 0 21 -4,-2.5 5,-2.6 3,-0.2 -2,-0.2 0.971 116.9 36.7 -65.9 -52.4 18.2 -6.5 19.3 133 182 A R H <5S+ 0 0 61 -4,-2.4 -2,-0.2 -5,-0.3 -1,-0.2 0.855 130.7 27.1 -68.5 -37.2 19.3 -10.1 20.0 134 183 A S H <5S+ 0 0 89 -4,-2.1 -1,-0.2 -5,-0.3 -3,-0.2 0.455 133.2 18.6-114.7 -2.9 17.4 -10.8 23.1 135 184 A V T X5S+ 0 0 52 -4,-1.3 4,-1.5 -5,-0.2 -3,-0.2 0.544 122.9 36.7-129.9 -60.9 14.2 -8.7 23.0 136 185 A L H > S+ 0 0 42 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.891 111.2 48.1 -53.9 -41.5 12.6 -12.8 19.4 139 188 A Q H X S+ 0 0 79 -4,-1.5 4,-1.4 2,-0.2 -2,-0.2 0.888 111.7 50.0 -67.3 -40.3 9.4 -10.7 19.3 140 189 A M H X S+ 0 0 0 -4,-2.5 4,-0.7 2,-0.2 -1,-0.2 0.905 110.9 48.7 -62.5 -42.8 9.6 -10.2 15.5 141 190 A E H >< S+ 0 0 92 -4,-2.7 3,-0.8 1,-0.2 -2,-0.2 0.889 107.4 54.7 -65.5 -36.8 10.1 -14.0 15.0 142 191 A K H 3< S+ 0 0 166 -4,-2.0 -1,-0.2 -5,-0.2 -2,-0.2 0.845 103.6 57.2 -62.5 -35.0 7.2 -14.8 17.2 143 192 A A H 3< 0 0 30 -4,-1.4 -28,-0.4 1,-0.3 -1,-0.2 0.653 360.0 360.0 -75.7 -13.8 5.0 -12.5 15.0 144 193 A L << 0 0 85 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.760 360.0 360.0 -76.3 360.0 5.9 -14.5 11.9