==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 13-SEP-12 4H2R . COMPND 2 MOLECULE: 2-METHYL-3-HYDROXYPYRIDINE-5-CARBOXYLIC ACID OXYG . SOURCE 2 ORGANISM_SCIENTIFIC: RHIZOBIUM LOTI; . AUTHOR J.KOBAYASHI,H.YOSHIDA,B.MIKAMI,H.HAYASHI,S.KAMITORI,T.YAGI . 738 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28076.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 531 72.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 51 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 . 1 0.1 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 . 74 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 187 25.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 1.4 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 5 2 1 3 1 1 1 0 2 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 2 0 RESIDUES PER ALPHA HELIX . 0 0 3 3 4 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 . 2 5 3 2 6 2 0 2 1 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 . 3 4 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 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 11 A T 0 0 136 0, 0.0 2,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 131.8 -22.3 -53.1 -26.6 2 12 A R - 0 0 83 22,-0.2 24,-2.9 138,-0.1 2,-0.4 -0.465 360.0-147.5 -70.4 136.4 -20.3 -55.3 -24.2 3 13 A R E -a 26 0A 104 22,-0.2 137,-2.1 -2,-0.1 138,-1.4 -0.910 11.7-167.2-109.4 135.8 -22.3 -57.3 -21.7 4 14 A A E -ab 27 141A 1 22,-2.9 24,-2.3 -2,-0.4 2,-0.5 -0.967 9.6-161.1-123.3 136.9 -21.1 -58.2 -18.2 5 15 A E E -ab 28 142A 7 136,-2.4 138,-2.5 -2,-0.4 2,-0.5 -0.974 12.7-167.3-114.8 118.3 -22.5 -60.6 -15.7 6 16 A V E -ab 29 143A 0 22,-2.9 24,-3.0 -2,-0.5 2,-0.6 -0.915 7.4-154.5-107.1 127.4 -21.3 -60.0 -12.1 7 17 A A E +ab 30 144A 2 136,-2.8 138,-2.1 -2,-0.5 24,-0.2 -0.906 62.9 34.8-103.0 116.8 -22.0 -62.6 -9.5 8 18 A G - 0 0 11 22,-3.7 23,-0.2 -2,-0.6 138,-0.1 0.336 58.0-141.4 112.5 120.5 -22.1 -61.2 -5.9 9 19 A G + 0 0 2 4,-0.2 2,-0.1 20,-0.1 22,-0.1 -0.179 65.4 108.4-105.4 39.8 -23.4 -58.0 -4.5 10 20 A G S > S- 0 0 35 135,-0.5 4,-2.4 26,-0.1 5,-0.3 -0.222 94.9 -72.6 -88.9-163.8 -20.7 -57.4 -1.9 11 21 A F H > S+ 0 0 19 1,-0.2 4,-1.8 2,-0.2 5,-0.2 0.839 131.9 53.7 -62.9 -34.8 -18.0 -54.7 -2.2 12 22 A A H > S+ 0 0 11 2,-0.2 4,-2.5 133,-0.2 -1,-0.2 0.951 113.3 40.4 -65.7 -48.8 -16.2 -56.6 -4.9 13 23 A G H > S+ 0 0 0 132,-0.4 4,-3.0 2,-0.2 -2,-0.2 0.904 115.0 49.5 -71.2 -43.2 -19.2 -57.0 -7.2 14 24 A L H X S+ 0 0 0 -4,-2.4 4,-2.3 2,-0.2 5,-0.2 0.889 112.4 50.3 -63.1 -39.1 -20.7 -53.6 -6.7 15 25 A T H X S+ 0 0 0 -4,-1.8 4,-2.6 -5,-0.3 -2,-0.2 0.954 113.1 44.6 -63.4 -50.0 -17.2 -52.1 -7.4 16 26 A A H X S+ 0 0 1 -4,-2.5 4,-2.8 2,-0.2 5,-0.3 0.934 114.1 50.6 -57.4 -46.3 -16.8 -54.1 -10.6 17 27 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.922 113.7 42.9 -61.3 -47.6 -20.4 -53.3 -11.7 18 28 A I H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 -1,-0.2 0.936 114.2 50.9 -64.9 -46.5 -20.1 -49.6 -11.2 19 29 A A H X S+ 0 0 1 -4,-2.6 4,-0.6 -5,-0.2 -2,-0.2 0.936 115.0 42.7 -57.5 -47.7 -16.6 -49.4 -12.7 20 30 A L H ><>S+ 0 0 1 -4,-2.8 5,-2.3 1,-0.2 3,-0.8 0.863 111.7 53.9 -66.9 -39.3 -17.7 -51.3 -15.8 21 31 A K H ><5S+ 0 0 41 -4,-2.3 3,-1.7 1,-0.3 -1,-0.2 0.874 103.4 57.2 -64.2 -38.5 -21.0 -49.4 -16.2 22 32 A Q H 3<5S+ 0 0 66 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.699 103.6 54.9 -65.2 -20.4 -19.1 -46.1 -16.1 23 33 A N T <<5S- 0 0 56 -3,-0.8 -1,-0.3 -4,-0.6 -2,-0.2 0.280 128.0 -98.2 -98.5 10.6 -17.2 -47.4 -19.1 24 34 A G T < 5S+ 0 0 46 -3,-1.7 -3,-0.2 1,-0.3 -22,-0.2 0.584 75.2 144.5 87.7 11.0 -20.3 -48.1 -21.1 25 35 A W < - 0 0 0 -5,-2.3 2,-0.5 -6,-0.1 -1,-0.3 -0.477 52.4-125.3 -69.6 149.2 -20.6 -51.8 -20.4 26 36 A D E -a 3 0A 77 -24,-2.9 -22,-2.9 -2,-0.1 2,-0.4 -0.890 40.8-170.9 -91.6 131.5 -24.1 -53.2 -20.0 27 37 A V E -a 4 0A 6 -2,-0.5 86,-2.4 84,-0.3 2,-0.4 -0.981 25.8-171.5-138.7 130.8 -24.1 -54.9 -16.6 28 38 A R E -ac 5 113A 75 -24,-2.3 -22,-2.9 -2,-0.4 2,-0.5 -0.962 14.9-154.8-113.9 136.8 -26.3 -57.2 -14.5 29 39 A L E -ac 6 114A 0 84,-3.8 86,-2.9 -2,-0.4 2,-0.5 -0.948 3.8-153.8-114.2 131.8 -25.4 -58.0 -10.9 30 40 A H E +ac 7 115A 3 -24,-3.0 -22,-3.7 -2,-0.5 2,-0.5 -0.912 12.5 179.7-107.5 119.6 -26.6 -61.2 -9.3 31 41 A E - 0 0 26 84,-2.6 87,-2.3 -2,-0.5 86,-0.3 -0.984 18.4-154.1-117.4 123.6 -27.0 -61.4 -5.5 32 42 A K S S+ 0 0 123 -2,-0.5 87,-0.2 85,-0.3 -1,-0.1 0.803 70.4 89.4 -71.8 -29.2 -28.2 -64.7 -4.1 33 43 A S S S- 0 0 45 85,-0.1 84,-2.7 1,-0.1 85,-0.3 -0.299 86.9-121.2 -62.8 152.8 -29.8 -63.1 -1.0 34 44 A S S S+ 0 0 93 82,-0.2 2,-0.3 83,-0.1 82,-0.1 0.693 98.3 28.3 -68.2 -21.0 -33.4 -62.0 -1.1 35 45 A E S S- 0 0 103 81,-0.1 2,-0.8 2,-0.0 -1,-0.1 -0.994 87.9-106.7-143.0 150.5 -32.1 -58.5 -0.2 36 46 A L + 0 0 31 -2,-0.3 2,-0.3 -4,-0.1 -26,-0.1 -0.648 56.9 144.4 -77.2 110.4 -28.9 -56.4 -0.7 37 47 A R - 0 0 132 -2,-0.8 2,-0.3 -28,-0.1 -4,-0.1 -0.964 40.5-133.8-142.8 164.0 -27.1 -56.2 2.6 38 48 A A - 0 0 21 -2,-0.3 2,-0.3 -28,-0.1 3,-0.2 -0.843 20.2-156.5-113.2 155.0 -23.6 -56.0 4.2 39 49 A F + 0 0 133 -2,-0.3 -2,-0.0 1,-0.1 0, 0.0 -0.946 57.7 64.3-133.2 149.9 -22.5 -58.0 7.2 40 50 A G S S- 0 0 15 -2,-0.3 2,-1.8 131,-0.2 -1,-0.1 0.628 83.6-116.2 111.4 19.1 -19.7 -57.6 9.8 41 51 A A S S+ 0 0 24 -3,-0.2 55,-3.2 130,-0.2 56,-0.5 -0.328 83.2 18.2 62.0 -81.1 -20.7 -54.4 11.6 42 52 A G E -F 95 0B 0 -2,-1.8 2,-0.3 53,-0.3 53,-0.2 -0.601 59.7-166.5-120.3 176.7 -17.8 -52.1 10.8 43 53 A I E -F 94 0B 9 51,-2.0 51,-2.0 -2,-0.2 2,-0.4 -0.968 15.5-136.2-162.3 144.1 -14.9 -51.7 8.3 44 54 A Y E -F 93 0B 16 -2,-0.3 2,-0.3 49,-0.2 247,-0.2 -0.883 19.8-174.6 -98.2 136.8 -11.7 -49.8 7.7 45 55 A L E -F 92 0B 1 47,-2.4 47,-2.4 -2,-0.4 2,-0.2 -0.927 6.4-162.2-116.5 155.1 -10.8 -48.4 4.4 46 56 A W E > -F 91 0B 3 -2,-0.3 4,-3.0 45,-0.2 3,-0.3 -0.697 45.1 -72.3-121.0-178.2 -7.5 -46.7 3.5 47 57 A H H > S+ 0 0 9 43,-1.9 4,-3.0 -2,-0.2 5,-0.2 0.842 129.2 54.2 -36.0 -49.6 -6.2 -44.4 0.8 48 58 A N H > S+ 0 0 1 308,-1.0 4,-1.4 1,-0.2 -1,-0.2 0.948 114.0 39.6 -58.5 -52.6 -6.3 -47.2 -1.8 49 59 A G H > S+ 0 0 0 -3,-0.3 4,-2.2 2,-0.2 -1,-0.2 0.837 114.6 53.6 -63.5 -37.1 -9.9 -48.0 -1.1 50 60 A L H X S+ 0 0 10 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.894 105.7 54.2 -68.0 -38.0 -10.9 -44.3 -0.8 51 61 A R H X S+ 0 0 22 -4,-3.0 4,-2.3 -5,-0.3 -1,-0.2 0.861 106.7 51.9 -60.7 -36.6 -9.3 -43.7 -4.2 52 62 A V H X S+ 0 0 0 -4,-1.4 4,-1.0 -5,-0.2 -2,-0.2 0.957 107.8 50.8 -64.7 -47.3 -11.5 -46.4 -5.7 53 63 A L H >X>S+ 0 0 0 -4,-2.2 5,-2.9 1,-0.2 6,-0.8 0.907 109.7 51.6 -54.8 -41.0 -14.6 -44.8 -4.2 54 64 A E H ><5S+ 0 0 34 -4,-2.3 3,-1.4 1,-0.3 -1,-0.2 0.943 110.3 47.9 -59.3 -48.2 -13.4 -41.5 -5.8 55 65 A G H 3<5S+ 0 0 18 -4,-2.3 -1,-0.3 1,-0.3 -2,-0.2 0.593 110.9 52.8 -68.3 -12.5 -13.1 -43.2 -9.1 56 66 A L H <<5S- 0 0 0 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.476 112.8-118.6 -99.6 -6.5 -16.5 -44.8 -8.6 57 67 A G T <<5S+ 0 0 29 -3,-1.4 -3,-0.2 -4,-0.5 -2,-0.1 0.784 91.6 102.4 71.4 27.8 -18.1 -41.4 -8.0 58 68 A A >< + 0 0 0 -5,-2.9 4,-0.6 -6,-0.2 -4,-0.2 0.214 41.6 98.7-124.1 13.8 -19.1 -42.6 -4.5 59 69 A L H >> S+ 0 0 13 -6,-0.8 4,-2.3 1,-0.2 3,-1.0 0.923 78.2 56.9 -67.4 -43.6 -16.5 -41.0 -2.3 60 70 A D H 3> S+ 0 0 49 1,-0.3 4,-1.7 2,-0.2 -1,-0.2 0.883 104.9 49.5 -59.1 -45.1 -18.7 -38.1 -1.1 61 71 A D H 34 S+ 0 0 100 1,-0.2 -1,-0.3 2,-0.2 -2,-0.2 0.681 112.9 49.3 -70.0 -18.1 -21.4 -40.2 0.3 62 72 A V H << S+ 0 0 0 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.2 0.875 108.0 49.9 -87.3 -44.0 -18.9 -42.3 2.3 63 73 A L H >< S+ 0 0 2 -4,-2.3 3,-1.7 2,-0.1 2,-0.6 0.899 96.9 79.8 -60.2 -38.6 -16.9 -39.5 3.8 64 74 A Q T 3< S+ 0 0 121 -4,-1.7 3,-0.1 1,-0.3 675,-0.0 -0.603 107.8 12.9 -75.1 115.7 -20.1 -37.9 5.0 65 75 A G T 3 S+ 0 0 32 -2,-0.6 -1,-0.3 1,-0.4 2,-0.2 0.572 111.3 94.0 92.0 10.9 -21.1 -39.8 8.2 66 76 A S < - 0 0 7 -3,-1.7 -1,-0.4 28,-0.1 2,-0.3 -0.644 61.1-132.3-122.6-170.5 -17.8 -41.6 8.7 67 77 A H B -G 93 0B 23 26,-1.6 26,-2.6 -2,-0.2 391,-0.1 -0.993 13.4-154.4-152.4 134.7 -14.7 -40.8 10.8 68 78 A T - 0 0 10 -2,-0.3 390,-0.2 24,-0.2 389,-0.2 -0.966 32.5-134.0-109.3 114.6 -11.0 -40.6 10.8 69 79 A P - 0 0 3 0, 0.0 119,-0.2 0, 0.0 3,-0.1 -0.287 17.2-120.5 -60.0 151.8 -9.6 -41.2 14.3 70 80 A P S S- 0 0 42 0, 0.0 2,-0.3 0, 0.0 118,-0.1 0.832 92.1 -0.8 -60.0 -30.9 -6.9 -38.7 15.4 71 81 A T - 0 0 13 116,-0.1 118,-2.1 2,-0.0 2,-0.8 -0.990 65.2-119.8-157.6 155.4 -4.6 -41.7 15.8 72 82 A Y E -Hi 84 189C 10 12,-2.8 12,-2.4 -2,-0.3 2,-0.3 -0.900 42.8-170.6-102.8 105.1 -4.3 -45.4 15.6 73 83 A E E -Hi 83 190C 8 116,-3.2 118,-2.8 -2,-0.8 2,-0.4 -0.751 13.5-157.7-105.7 141.4 -3.5 -46.5 19.2 74 84 A T E -Hi 82 191C 3 8,-2.4 7,-2.9 -2,-0.3 8,-1.2 -0.965 7.5-164.2-118.6 132.3 -2.4 -49.9 20.5 75 85 A W E -Hi 80 192C 36 116,-3.4 118,-3.0 -2,-0.4 2,-0.5 -0.915 9.2-168.6-114.2 139.2 -2.7 -51.1 24.1 76 86 A M E > S-Hi 79 193C 37 3,-2.6 3,-1.3 -2,-0.4 118,-0.2 -0.962 84.8 -19.2-123.4 113.5 -1.1 -54.0 25.8 77 87 A H T 3 S- 0 0 80 116,-2.7 117,-0.1 -2,-0.5 -1,-0.1 0.901 128.0 -54.0 55.9 43.8 -2.6 -54.8 29.2 78 88 A N T 3 S+ 0 0 84 115,-0.4 2,-0.6 1,-0.2 -1,-0.3 0.542 114.2 120.1 71.2 7.9 -4.1 -51.2 29.3 79 89 A K E < -H 76 0C 144 -3,-1.3 -3,-2.6 2,-0.0 2,-0.3 -0.929 68.1-125.9-103.8 119.6 -0.7 -49.7 28.6 80 90 A S E +H 75 0C 39 -2,-0.6 -5,-0.2 -5,-0.2 3,-0.1 -0.511 34.7 170.6 -62.8 121.5 -0.4 -47.6 25.5 81 91 A V E + 0 0 62 -7,-2.9 2,-0.3 -2,-0.3 -1,-0.2 0.594 60.4 13.8-109.8 -15.5 2.5 -49.0 23.5 82 92 A S E -H 74 0C 7 -8,-1.2 -8,-2.4 263,-0.1 2,-0.4 -0.981 45.1-168.0-158.8 147.1 2.0 -47.2 20.2 83 93 A K E -H 73 0C 97 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.978 23.0-173.9-131.3 121.3 0.2 -44.3 18.5 84 94 A E E +H 72 0C 18 -12,-2.4 -12,-2.8 -2,-0.4 -2,-0.0 -0.929 24.7 170.1-123.2 141.8 0.4 -44.3 14.7 85 95 A T > - 0 0 31 -2,-0.4 3,-0.9 -14,-0.2 4,-0.1 0.407 42.7-130.0-129.1 -3.9 -0.8 -41.7 12.1 86 96 A F G > - 0 0 9 1,-0.2 3,-1.9 2,-0.2 -2,-0.1 0.751 55.9 -75.0 66.7 30.2 0.8 -43.1 9.0 87 97 A N G 3 S- 0 0 23 1,-0.3 -1,-0.2 351,-0.2 349,-0.1 0.885 97.6 -47.5 45.2 48.1 2.5 -39.8 7.8 88 98 A G G < S+ 0 0 18 -3,-0.9 -1,-0.3 1,-0.2 -2,-0.2 0.397 89.0 158.7 83.1 -1.6 -0.9 -38.4 6.7 89 99 A L < - 0 0 2 -3,-1.9 -1,-0.2 -4,-0.1 268,-0.1 -0.327 46.1-113.7 -53.1 123.7 -2.0 -41.5 4.7 90 100 A P + 0 0 14 0, 0.0 -43,-1.9 0, 0.0 2,-0.3 -0.339 46.2 160.8 -64.9 145.6 -5.8 -41.2 4.5 91 101 A W E -F 46 0B 11 -45,-0.3 2,-0.3 -44,-0.1 -45,-0.2 -0.968 14.9-166.2-159.3 164.0 -8.0 -43.8 6.3 92 102 A R E -F 45 0B 0 -47,-2.4 -47,-2.4 -2,-0.3 2,-0.4 -0.998 12.4-149.2-157.8 144.3 -11.6 -44.1 7.4 93 103 A I E +FG 44 67B 0 -26,-2.6 -26,-1.6 -2,-0.3 2,-0.3 -0.967 30.8 150.0-118.7 136.9 -13.8 -46.1 9.6 94 104 A M E -F 43 0B 0 -51,-2.0 -51,-2.0 -2,-0.4 2,-0.2 -0.949 48.5 -85.7-152.3 170.3 -17.5 -46.6 8.9 95 105 A T E > -F 42 0B 5 -2,-0.3 4,-1.9 -53,-0.2 -53,-0.3 -0.517 38.5-120.9 -76.3 153.7 -20.3 -49.1 9.3 96 106 A R H > S+ 0 0 59 -55,-3.2 4,-2.4 1,-0.2 5,-0.2 0.914 115.4 52.9 -60.6 -42.4 -20.5 -51.8 6.7 97 107 A S H > S+ 0 0 61 -56,-0.5 4,-2.7 1,-0.2 -1,-0.2 0.804 105.0 56.8 -65.7 -27.5 -24.0 -50.7 5.8 98 108 A H H > S+ 0 0 45 2,-0.2 4,-1.6 1,-0.2 -1,-0.2 0.956 112.1 39.2 -66.6 -50.2 -22.7 -47.2 5.4 99 109 A L H X S+ 0 0 0 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.866 118.3 51.6 -63.9 -35.3 -20.2 -48.2 2.8 100 110 A H H X S+ 0 0 3 -4,-2.4 4,-2.5 -5,-0.2 -2,-0.2 0.910 106.2 51.3 -72.5 -43.1 -22.7 -50.6 1.3 101 111 A D H X S+ 0 0 86 -4,-2.7 4,-2.7 1,-0.2 5,-0.2 0.915 108.4 52.7 -60.5 -44.5 -25.5 -48.1 0.9 102 112 A A H X S+ 0 0 6 -4,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.910 111.4 47.1 -54.9 -45.1 -23.3 -45.6 -0.9 103 113 A L H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.913 112.4 48.7 -66.6 -43.4 -22.2 -48.4 -3.4 104 114 A V H X S+ 0 0 12 -4,-2.5 4,-2.6 1,-0.2 5,-0.2 0.931 111.2 49.1 -62.9 -47.6 -25.8 -49.6 -4.0 105 115 A N H X S+ 0 0 107 -4,-2.7 4,-1.9 1,-0.2 -1,-0.2 0.859 112.3 48.9 -60.9 -36.5 -27.2 -46.1 -4.6 106 116 A R H X S+ 0 0 68 -4,-1.7 4,-1.4 -5,-0.2 -1,-0.2 0.894 111.2 49.9 -70.4 -40.4 -24.3 -45.3 -7.0 107 117 A A H <>S+ 0 0 0 -4,-2.2 5,-2.5 1,-0.2 4,-0.5 0.891 112.5 46.5 -64.5 -42.9 -24.9 -48.6 -8.9 108 118 A R H ><5S+ 0 0 136 -4,-2.6 3,-0.7 3,-0.2 -1,-0.2 0.862 108.5 56.5 -67.0 -35.8 -28.7 -47.9 -9.2 109 119 A A H 3<5S+ 0 0 78 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.810 108.1 47.3 -66.9 -30.7 -28.0 -44.3 -10.3 110 120 A L T 3<5S- 0 0 48 -4,-1.4 -1,-0.2 -5,-0.1 -2,-0.2 0.569 120.8-109.2 -83.1 -9.3 -25.9 -45.6 -13.2 111 121 A G T < 5 + 0 0 37 -3,-0.7 2,-0.4 -4,-0.5 -84,-0.3 0.890 53.1 169.6 77.4 42.7 -28.5 -48.1 -14.2 112 122 A V < - 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