==== 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 HYDROLASE 09-MAY-05 1ZLQ . COMPND 2 MOLECULE: NICKEL-BINDING PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR M.V.CHERRIER,L.MARTIN,C.CAVAZZA,L.JACQUAMET,D.LEMAIRE,J.GAIL . 998 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 38153.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 674 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 156 15.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 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 . 82 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 115 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 230 23.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 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 1 5 2 2 3 3 6 0 2 2 0 2 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 4 6 2 2 10 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 2 4 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 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 3 A P 0 0 64 0, 0.0 497,-0.2 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 155.6 -19.4 17.6 -53.1 2 4 A D + 0 0 61 1,-0.2 188,-3.6 187,-0.1 189,-1.1 0.211 360.0 63.1-131.9 8.1 -19.8 13.8 -53.6 3 5 A E E -a 191 0A 104 187,-0.2 2,-0.3 186,-0.2 189,-0.2 -0.999 67.5-169.3-126.9 133.9 -16.1 13.0 -54.3 4 6 A I E -a 192 0A 1 187,-2.7 189,-2.5 -2,-0.4 2,-0.4 -0.892 14.2-152.1-122.8 155.5 -13.5 13.5 -51.6 5 7 A T E +a 193 0A 38 -2,-0.3 208,-3.5 187,-0.2 209,-1.0 -0.992 26.7 158.2-124.8 130.3 -9.7 13.5 -51.5 6 8 A T E -a 194 0A 3 187,-3.5 189,-2.5 -2,-0.4 2,-0.3 -0.539 27.6-121.5-134.4-167.5 -7.9 12.7 -48.4 7 9 A A E -a 195 0A 3 207,-0.5 209,-0.3 187,-0.3 189,-0.2 -0.982 15.2-173.5-144.6 157.7 -4.5 11.4 -47.3 8 10 A W E -a 196 0A 50 187,-1.9 189,-2.4 -2,-0.3 209,-0.0 -0.974 34.8-121.9-146.4 148.2 -2.8 8.6 -45.4 9 11 A P S S+ 0 0 47 0, 0.0 2,-0.3 0, 0.0 187,-0.1 0.765 96.7 12.9 -65.8 -20.2 0.8 8.0 -44.4 10 12 A V S S- 0 0 68 187,-0.1 187,-0.1 185,-0.1 160,-0.0 -0.882 94.4 -80.2-140.6 168.9 0.9 4.7 -46.4 11 13 A N - 0 0 18 -2,-0.3 163,-0.1 1,-0.1 159,-0.1 -0.280 43.2-112.4 -64.0 162.1 -1.2 2.8 -48.9 12 14 A V - 0 0 0 1,-0.2 12,-2.7 11,-0.1 3,-0.3 0.725 55.1-129.8 -72.2 -19.5 -4.1 0.8 -47.7 13 15 A G - 0 0 16 10,-0.3 -1,-0.2 1,-0.2 10,-0.1 -0.454 43.4 -51.1 97.0-172.9 -2.3 -2.4 -48.6 14 16 A P S S- 0 0 75 0, 0.0 -1,-0.2 0, 0.0 9,-0.0 0.582 72.5-124.6 -76.9 -5.9 -3.6 -5.4 -50.6 15 17 A L + 0 0 0 -3,-0.3 -2,-0.1 1,-0.3 150,-0.1 0.889 42.9 171.3 63.1 45.1 -6.8 -5.5 -48.4 16 18 A N > - 0 0 4 4,-0.2 3,-1.1 1,-0.1 -1,-0.3 -0.783 27.3-148.1 -73.5 121.5 -6.5 -9.0 -47.3 17 19 A P T 3 S+ 0 0 0 0, 0.0 121,-0.2 0, 0.0 -1,-0.1 0.722 91.3 49.7 -67.4 -17.1 -9.2 -9.1 -44.6 18 20 A H T 3 S+ 0 0 2 117,-0.1 2,-0.2 132,-0.1 117,-0.1 0.362 100.7 67.8-108.4 5.5 -7.3 -11.7 -42.6 19 21 A L < - 0 0 40 -3,-1.1 132,-0.0 1,-0.2 2,-0.0 -0.634 60.7-144.3-125.4 175.9 -3.9 -10.3 -42.3 20 22 A Y > + 0 0 16 1,-0.4 3,-2.3 -2,-0.2 -4,-0.2 0.212 56.1 56.9-115.1-134.1 -2.1 -7.3 -40.7 21 23 A T T 3 S+ 0 0 132 1,-0.3 -1,-0.4 -8,-0.1 3,-0.1 -0.140 110.3 21.5 -38.4 133.9 0.8 -5.1 -41.9 22 24 A P T 3 S+ 0 0 77 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 -0.943 106.3 93.7 -90.8 11.6 0.8 -3.5 -44.5 23 25 A N S < S- 0 0 6 -3,-2.3 2,-0.5 -10,-0.1 -10,-0.3 -0.438 71.0-135.4 -62.1 133.2 -3.1 -3.7 -44.5 24 26 A Q >> - 0 0 45 -12,-2.7 4,-2.3 -2,-0.2 3,-0.8 -0.830 5.2-141.5 -95.9 125.2 -4.7 -0.6 -42.9 25 27 A M H 3> S+ 0 0 31 -2,-0.5 4,-2.4 1,-0.2 5,-0.2 0.844 99.4 55.0 -52.0 -43.1 -7.6 -1.4 -40.6 26 28 A F H 3> S+ 0 0 6 1,-0.2 4,-0.6 2,-0.2 464,-0.3 0.865 111.3 45.8 -65.9 -31.8 -9.7 1.5 -41.6 27 29 A A H <> S+ 0 0 0 -3,-0.8 4,-1.3 2,-0.2 3,-0.4 0.858 109.4 53.3 -76.5 -41.3 -9.5 0.4 -45.3 28 30 A Q H X S+ 0 0 0 -4,-2.3 4,-3.0 1,-0.2 3,-0.3 0.906 109.7 51.0 -55.5 -39.5 -10.2 -3.3 -44.4 29 31 A S H < S+ 0 0 17 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.713 103.7 58.1 -73.9 -17.3 -13.3 -2.0 -42.5 30 32 A M H < S+ 0 0 2 -4,-0.6 133,-1.6 -3,-0.4 -1,-0.2 0.853 120.6 26.5 -74.2 -34.0 -14.5 0.0 -45.6 31 33 A V H < S+ 0 0 2 -4,-1.3 130,-2.7 -3,-0.3 2,-0.3 0.811 118.6 55.3-100.0 -39.4 -14.6 -3.1 -47.8 32 34 A Y < - 0 0 0 -4,-3.0 108,-0.1 -5,-0.2 127,-0.1 -0.760 64.3-156.9-109.3 147.8 -15.2 -5.9 -45.3 33 35 A E - 0 0 6 106,-0.4 106,-1.1 -2,-0.3 2,-0.2 -0.847 9.3-129.8-124.1 154.8 -18.0 -6.4 -42.8 34 36 A P - 0 0 3 0, 0.0 14,-1.6 0, 0.0 15,-0.2 -0.555 25.5-115.6 -95.6 166.9 -18.6 -8.3 -39.5 35 37 A L S S+ 0 0 1 102,-0.4 14,-2.7 96,-0.3 12,-1.6 0.854 105.8 21.9 -61.4 -36.8 -21.4 -10.6 -38.4 36 38 A V E S-D 46 0B 0 95,-0.2 2,-0.4 10,-0.2 -1,-0.2 -0.965 82.1-130.5-138.8 146.5 -22.2 -8.1 -35.6 37 39 A K E -D 45 0B 65 8,-2.7 8,-2.5 -2,-0.3 2,-0.2 -0.873 16.9-124.5-114.2 132.7 -21.4 -4.4 -35.4 38 40 A Y E -D 44 0B 18 -2,-0.4 2,-0.3 94,-0.3 6,-0.2 -0.455 25.3-157.9 -74.1 136.4 -19.9 -2.5 -32.5 39 41 A Q > - 0 0 28 4,-3.0 3,-2.2 -2,-0.2 445,-0.0 -0.831 29.8-112.1-114.4 157.7 -21.8 0.5 -31.1 40 42 A A T 3 S+ 0 0 58 -2,-0.3 944,-0.1 1,-0.3 -1,-0.1 0.812 114.4 63.3 -59.6 -27.9 -20.5 3.4 -29.0 41 43 A D T 3 S- 0 0 33 1,-0.1 -1,-0.3 942,-0.1 943,-0.1 0.417 121.5-103.6 -78.7 4.8 -22.4 2.2 -25.9 42 44 A G S < S+ 0 0 23 -3,-2.2 -2,-0.1 1,-0.4 -1,-0.1 0.281 87.1 115.2 94.1 -9.7 -20.3 -1.0 -25.9 43 45 A S - 0 0 27 -5,-0.1 -4,-3.0 85,-0.0 -1,-0.4 -0.367 59.4-133.2 -86.7 166.7 -23.0 -3.2 -27.3 44 46 A V E -D 38 0B 22 -6,-0.2 -6,-0.2 -3,-0.1 85,-0.1 -0.912 16.5-155.1-113.5 151.6 -23.1 -5.0 -30.7 45 47 A I E -D 37 0B 53 -8,-2.5 -8,-2.7 -2,-0.3 4,-0.2 -0.837 34.3 -83.9-117.7 158.5 -26.0 -4.9 -33.1 46 48 A P E +D 36 0B 58 0, 0.0 -10,-0.2 0, 0.0 4,-0.2 -0.329 57.7 152.5 -56.2 140.4 -27.0 -7.4 -35.8 47 49 A W S S- 0 0 45 -12,-1.6 -11,-0.2 2,-1.2 -12,-0.2 0.072 76.9 -6.2-135.2-104.5 -25.2 -6.8 -39.0 48 50 A L S S+ 0 0 0 -14,-1.6 18,-2.8 17,-0.1 2,-0.6 0.846 136.1 61.6 -63.9 -30.9 -24.5 -9.7 -41.5 49 51 A A E S-E 65 0C 0 -14,-2.7 -2,-1.2 16,-0.3 16,-0.3 -0.852 72.1-165.9 -88.9 123.2 -26.0 -11.9 -38.7 50 52 A K E - 0 0 119 14,-2.1 2,-0.3 -2,-0.6 15,-0.2 0.811 69.1 -12.7 -79.3 -27.6 -29.6 -10.8 -38.1 51 53 A S E -E 64 0C 56 13,-1.6 13,-2.4 -6,-0.1 2,-0.3 -0.953 62.2-164.6-157.9 172.9 -29.9 -12.7 -34.8 52 54 A W E -E 63 0C 64 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.984 5.8-159.7-161.4 163.0 -28.1 -15.3 -32.7 53 55 A T E -E 62 0C 97 9,-1.8 9,-2.7 -2,-0.3 2,-0.4 -0.934 10.5-150.7-139.0 157.2 -28.5 -17.7 -29.8 54 56 A H E -E 61 0C 107 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.985 21.8-108.4-132.5 151.7 -26.1 -19.5 -27.5 55 57 A S > - 0 0 35 5,-2.6 3,-0.9 -2,-0.4 -1,-0.0 -0.044 38.6-101.1 -62.1 170.4 -26.1 -22.8 -25.6 56 58 A E T 3 S+ 0 0 200 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.914 124.6 50.1 -64.1 -44.3 -26.4 -23.0 -21.8 57 59 A D T 3 S- 0 0 90 1,-0.1 -1,-0.3 65,-0.0 66,-0.1 0.509 109.1-127.6 -72.9 -2.6 -22.7 -23.6 -21.3 58 60 A G S < S+ 0 0 10 -3,-0.9 66,-0.2 2,-0.2 -2,-0.1 0.638 81.5 108.7 66.6 16.9 -22.1 -20.6 -23.6 59 61 A K + 0 0 80 1,-0.1 61,-3.3 64,-0.1 2,-0.5 0.693 67.0 53.5 -98.5 -25.1 -19.8 -22.6 -25.8 60 62 A T E - F 0 119C 43 59,-0.2 -5,-2.6 61,-0.1 2,-0.4 -0.959 64.2-172.7-117.5 132.1 -21.8 -23.0 -29.0 61 63 A W E -EF 54 118C 28 57,-3.1 57,-3.0 -2,-0.5 2,-0.5 -0.966 7.4-159.6-123.1 136.5 -23.3 -20.0 -30.8 62 64 A T E -EF 53 117C 19 -9,-2.7 -9,-1.8 -2,-0.4 2,-0.4 -0.973 8.3-161.7-122.9 119.1 -25.7 -20.2 -33.7 63 65 A F E -EF 52 116C 0 53,-3.5 53,-2.9 -2,-0.5 2,-0.7 -0.846 11.6-148.1-103.9 132.3 -26.1 -17.1 -36.0 64 66 A T E -EF 51 115C 30 -13,-2.4 -14,-2.1 -2,-0.4 -13,-1.6 -0.913 27.5-150.7 -94.7 117.3 -29.0 -16.5 -38.3 65 67 A L E -E 49 0C 1 49,-3.0 -16,-0.3 -2,-0.7 -17,-0.1 -0.588 18.9 -99.6 -90.1 149.7 -27.6 -14.6 -41.3 66 68 A R - 0 0 71 -18,-2.8 -1,-0.1 -2,-0.2 3,-0.1 -0.251 25.6-153.4 -52.5 150.9 -29.2 -12.1 -43.6 67 69 A D S S+ 0 0 131 1,-0.1 -1,-0.1 11,-0.1 -19,-0.0 0.292 82.3 64.7-116.2 11.1 -30.3 -13.7 -46.8 68 70 A D S S+ 0 0 78 8,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.314 72.2 113.2-114.7 6.8 -30.1 -10.6 -49.0 69 71 A V - 0 0 2 8,-0.3 8,-2.5 -21,-0.1 2,-0.4 -0.665 39.6-174.6 -93.3 132.5 -26.4 -9.8 -49.0 70 72 A K B -H 76 0D 92 -2,-0.4 113,-0.2 111,-0.3 5,-0.1 -0.938 27.8-117.7-118.4 146.5 -24.1 -10.0 -52.0 71 73 A F > - 0 0 1 4,-3.1 3,-2.2 -2,-0.4 89,-0.3 -0.369 43.9-100.4 -62.8 157.9 -20.4 -9.5 -52.3 72 74 A S T 3 S+ 0 0 34 87,-2.8 88,-0.1 1,-0.3 -1,-0.1 0.718 124.9 60.0 -60.3 -21.9 -19.5 -6.6 -54.6 73 75 A N T 3 S- 0 0 62 86,-0.2 -1,-0.3 2,-0.1 87,-0.1 0.281 122.6-105.3 -85.9 7.8 -18.8 -9.1 -57.4 74 76 A G S < S+ 0 0 37 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.0 0.244 77.8 133.9 88.5 -10.9 -22.4 -10.4 -57.2 75 77 A E - 0 0 73 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.3 -0.389 61.8-101.6 -67.5 144.9 -21.6 -13.7 -55.4 76 78 A P B -H 70 0D 70 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.445 18.4-139.1 -72.2 144.4 -23.9 -14.5 -52.5 77 79 A F + 0 0 4 -8,-2.5 -8,-0.3 -2,-0.1 2,-0.3 -0.897 45.2 145.6 -90.1 125.1 -22.9 -14.0 -48.9 78 80 A D > - 0 0 32 -2,-0.6 4,-2.3 -10,-0.1 5,-0.2 -0.870 65.2 -83.9-149.5-179.6 -24.3 -17.0 -47.0 79 81 A A H > S+ 0 0 0 34,-2.3 4,-2.9 -2,-0.3 5,-0.2 0.860 125.4 56.7 -66.7 -30.3 -23.3 -19.2 -44.1 80 82 A E H > S+ 0 0 74 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.925 108.2 46.7 -65.4 -41.9 -21.0 -21.4 -46.3 81 83 A A H > S+ 0 0 6 2,-0.2 4,-1.7 1,-0.2 -2,-0.2 0.912 113.9 49.1 -63.7 -41.2 -19.0 -18.3 -47.3 82 84 A A H X S+ 0 0 0 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.934 110.6 50.1 -64.8 -44.1 -18.8 -17.2 -43.7 83 85 A A H X S+ 0 0 7 -4,-2.9 4,-2.3 1,-0.2 -1,-0.2 0.903 108.6 52.3 -62.5 -41.1 -17.7 -20.6 -42.6 84 86 A E H X S+ 0 0 74 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.849 107.4 52.9 -64.1 -34.8 -15.0 -20.7 -45.3 85 87 A N H X S+ 0 0 2 -4,-1.7 4,-2.5 2,-0.2 -2,-0.2 0.916 107.9 49.7 -65.3 -44.4 -13.7 -17.3 -44.0 86 88 A F H X S+ 0 0 2 -4,-2.2 4,-2.8 2,-0.2 -2,-0.2 0.922 111.5 49.6 -59.8 -42.9 -13.4 -18.6 -40.5 87 89 A R H X S+ 0 0 71 -4,-2.3 4,-1.8 2,-0.2 -2,-0.2 0.931 109.8 51.5 -57.5 -47.4 -11.5 -21.7 -41.7 88 90 A A H < S+ 0 0 0 -4,-2.3 62,-0.3 2,-0.2 63,-0.3 0.917 113.0 44.8 -59.1 -42.0 -9.2 -19.4 -43.8 89 91 A V H >< S+ 0 0 2 -4,-2.5 3,-1.8 1,-0.2 -2,-0.2 0.950 114.7 47.4 -65.4 -49.3 -8.5 -17.3 -40.7 90 92 A L H >< S+ 0 0 19 -4,-2.8 3,-1.3 1,-0.3 -1,-0.2 0.657 96.1 71.6 -75.2 -14.1 -7.9 -20.2 -38.3 91 93 A D T 3< S+ 0 0 70 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.651 104.9 43.1 -69.2 -13.3 -5.7 -21.9 -40.8 92 94 A N T X> S+ 0 0 43 -3,-1.8 3,-1.6 -4,-0.3 4,-0.6 -0.185 80.5 146.0-116.5 38.4 -3.3 -19.2 -39.8 93 95 A R G X4 + 0 0 91 -3,-1.3 3,-1.5 1,-0.3 -1,-0.1 0.803 60.9 57.7 -57.0 -43.5 -4.1 -19.5 -36.1 94 96 A Q G >4 S+ 0 0 157 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.802 99.9 59.8 -60.2 -28.5 -0.7 -18.7 -34.6 95 97 A R G <4 S+ 0 0 108 -3,-1.6 3,-0.3 1,-0.2 -1,-0.3 0.762 103.2 53.1 -69.3 -23.1 -0.7 -15.3 -36.3 96 98 A H G X< S+ 0 0 0 -3,-1.5 3,-1.8 -4,-0.6 6,-0.4 0.179 72.4 117.8 -97.3 17.3 -3.9 -14.4 -34.4 97 99 A A T < + 0 0 22 -3,-1.2 -1,-0.2 1,-0.3 6,-0.1 0.796 64.7 65.2 -54.1 -38.3 -2.5 -15.2 -30.9 98 100 A W T 3 S+ 0 0 22 -3,-0.3 2,-0.6 -4,-0.2 -1,-0.3 0.778 97.1 64.8 -54.9 -29.1 -2.8 -11.7 -29.6 99 101 A L S X S- 0 0 0 -3,-1.8 3,-1.3 1,-0.1 4,-0.4 -0.877 74.7-155.8-105.7 111.9 -6.6 -12.1 -30.0 100 102 A E T >> S+ 0 0 24 -2,-0.6 3,-1.6 1,-0.3 4,-1.1 0.797 86.5 70.4 -63.8 -26.8 -7.9 -14.8 -27.7 101 103 A L H >> S+ 0 0 0 1,-0.3 4,-1.7 2,-0.2 3,-0.9 0.885 93.5 59.1 -55.1 -37.9 -11.0 -15.6 -29.8 102 104 A A H <4 S+ 0 0 0 -3,-1.3 -1,-0.3 -6,-0.4 -2,-0.2 0.714 107.7 45.3 -65.8 -22.8 -8.7 -17.1 -32.4 103 105 A N H <4 S+ 0 0 42 -3,-1.6 -1,-0.3 -4,-0.4 -2,-0.2 0.613 112.6 54.1 -90.1 -14.7 -7.5 -19.6 -29.7 104 106 A Q H << S+ 0 0 12 -4,-1.1 17,-2.5 -3,-0.9 2,-0.5 0.738 78.6 98.4 -93.6 -30.1 -11.0 -20.3 -28.6 105 107 A I E < +G 120 0C 2 -4,-1.7 15,-0.3 15,-0.2 3,-0.1 -0.526 38.3 171.4 -72.4 118.8 -12.8 -21.3 -31.8 106 108 A V E - 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