==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-APR-04 1VFO . COMPND 2 MOLECULE: NEOPULLULANASE 2; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOACTINOMYCES VULGARIS; . AUTHOR A.OHTAKI,M.MIZUNO,T.TONOZUKA,Y.SAKANO,S.KAMITORI . 1170 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 44199.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 805 68.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 63 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 198 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 9 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 104 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 150 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 221 18.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 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 6 1 0 0 1 2 0 3 2 1 5 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 3 6 4 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 PARALLEL BRIDGES PER LADDER . 12 7 6 4 3 2 4 2 2 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 . 2 3 0 2 3 2 0 1 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 1 A M 0 0 36 0, 0.0 2,-1.0 0, 0.0 33,-0.0 0.000 360.0 360.0 360.0 128.9 21.9 35.1 22.7 2 2 A L > - 0 0 68 1,-0.2 3,-1.7 2,-0.1 28,-0.4 -0.278 360.0-172.7 -53.2 91.7 25.3 35.7 24.3 3 3 A L G > S+ 0 0 30 -2,-1.0 3,-1.6 1,-0.3 -1,-0.2 0.759 76.2 69.3 -61.7 -29.2 25.4 32.6 26.5 4 4 A E G 3 S+ 0 0 25 1,-0.3 -1,-0.3 647,-0.1 -2,-0.1 0.675 96.6 56.9 -64.2 -16.3 28.6 33.7 28.2 5 5 A A G < S+ 0 0 3 -3,-1.7 2,-0.6 2,-0.0 -1,-0.3 0.132 81.8 102.6-102.5 21.6 26.5 36.5 29.8 6 6 A I < - 0 0 16 -3,-1.6 2,-0.3 23,-0.2 23,-0.2 -0.915 50.9-176.5-109.2 122.9 23.9 34.2 31.5 7 7 A F B +A 28 0A 19 21,-2.7 21,-1.9 -2,-0.6 2,-0.2 -0.884 18.4 133.7-125.3 153.3 24.3 33.7 35.2 8 8 A H - 0 0 12 -2,-0.3 2,-0.3 19,-0.2 19,-0.1 -0.809 20.3-166.3 176.2 145.7 22.8 31.7 38.1 9 9 A E - 0 0 36 17,-0.3 2,-2.9 2,-0.2 5,-0.2 -0.990 33.7-117.4-145.0 137.4 23.9 29.6 40.9 10 10 A A S S+ 0 0 26 -2,-0.3 2,-0.3 4,-0.1 15,-0.0 -0.226 93.0 36.3 -71.5 53.6 21.8 27.2 43.1 11 11 A K S > S+ 0 0 54 -2,-2.9 3,-1.5 5,-0.1 4,-0.5 -0.970 91.4 32.0 178.8 175.8 22.6 29.3 46.3 12 12 A G T 3 S- 0 0 12 -2,-0.3 393,-0.0 1,-0.2 3,-0.0 -0.397 120.3 -11.9 66.2-125.4 23.2 32.7 47.7 13 13 A S T 3 S+ 0 0 11 -2,-0.2 -1,-0.2 1,-0.2 3,-0.1 0.323 138.5 51.4 -94.3 6.6 21.3 35.6 46.1 14 14 A Y S < S+ 0 0 21 -3,-1.5 12,-2.6 1,-0.4 2,-0.3 0.528 117.6 28.7-116.8 -15.0 20.2 33.6 43.1 15 15 A A E S+B 25 0A 1 -4,-0.5 -1,-0.4 10,-0.2 10,-0.2 -0.938 75.8 125.3-150.4 120.5 18.7 30.6 44.9 16 16 A Y E -B 24 0A 13 8,-1.8 8,-3.7 -2,-0.3 2,-0.2 -0.943 49.6-105.4-170.9 152.3 17.1 30.6 48.4 17 17 A P E -B 23 0A 6 0, 0.0 105,-0.4 0, 0.0 6,-0.2 -0.499 12.6-170.5 -85.9 157.0 13.9 29.7 50.2 18 18 A I E S+ 0 0 47 4,-2.2 2,-0.3 1,-0.3 5,-0.1 0.134 83.2 8.1-125.3 11.8 11.3 32.1 51.5 19 19 A S E > S-B 22 0A 28 3,-0.7 3,-0.7 0, 0.0 -1,-0.3 -0.928 93.8 -86.4-177.1 166.3 9.5 29.3 53.3 20 20 A E T 3 S+ 0 0 50 -2,-0.3 96,-0.2 1,-0.2 98,-0.1 0.535 128.1 29.4 -67.0 -1.5 10.1 25.7 54.2 21 21 A T T 3 S+ 0 0 58 1,-0.1 54,-4.2 57,-0.1 2,-0.5 0.393 105.5 76.1-137.2 1.4 8.5 24.8 50.8 22 22 A Q E < -BC 19 74A 54 -3,-0.7 -4,-2.2 52,-0.2 -3,-0.7 -0.973 53.8-163.6-125.7 126.3 9.1 27.6 48.4 23 23 A L E -BC 17 73A 0 50,-2.2 50,-2.8 -2,-0.5 2,-0.5 -0.903 10.0-147.7-109.2 130.2 12.4 28.4 46.6 24 24 A R E -BC 16 72A 43 -8,-3.7 -8,-1.8 -2,-0.5 2,-0.4 -0.816 17.3-169.6 -94.7 128.3 13.1 31.7 44.9 25 25 A V E -BC 15 71A 1 46,-2.6 46,-2.4 -2,-0.5 2,-0.3 -0.975 4.3-171.4-124.2 135.6 15.3 31.6 41.8 26 26 A R E - C 0 70A 12 -12,-2.6 2,-0.4 -2,-0.4 -17,-0.3 -0.929 1.0-172.7-123.8 147.3 16.9 34.5 40.0 27 27 A L E - C 0 69A 1 42,-2.8 42,-3.4 -2,-0.3 2,-0.3 -0.999 5.2-160.2-139.5 139.9 18.7 34.6 36.7 28 28 A R E +AC 7 68A 35 -21,-1.9 -21,-2.7 -2,-0.4 2,-0.3 -0.903 14.7 164.8-121.7 152.1 20.6 37.4 35.0 29 29 A A E - C 0 67A 0 38,-1.6 38,-2.2 -2,-0.3 -23,-0.2 -0.965 50.4 -61.2-156.0 161.9 21.6 37.8 31.3 30 30 A K E >> S- C 0 66A 56 -28,-0.4 3,-2.5 -2,-0.3 4,-0.6 -0.205 72.0 -89.6 -51.7 133.9 22.8 40.6 29.0 31 31 A K T 34 S+ 0 0 109 34,-3.1 -1,-0.2 1,-0.3 36,-0.1 -0.233 110.0 3.4 -50.5 121.1 20.2 43.3 28.8 32 32 A G T 34 S+ 0 0 50 2,-0.3 -1,-0.3 -3,-0.1 -2,-0.1 0.490 102.5 105.3 80.4 5.5 17.7 42.6 26.0 33 33 A D T <4 S+ 0 0 26 -3,-2.5 2,-0.4 1,-0.2 -2,-0.1 0.811 78.7 41.7 -85.6 -33.7 19.3 39.3 25.1 34 34 A V < + 0 0 4 -4,-0.6 -2,-0.3 54,-0.2 54,-0.2 -0.971 54.7 178.4-121.1 130.4 16.6 37.1 26.6 35 35 A V S S+ 0 0 98 52,-2.1 2,-0.4 -2,-0.4 53,-0.2 0.730 71.6 28.3 -99.8 -30.7 12.9 37.8 26.2 36 36 A R E -E 87 0B 90 51,-1.5 51,-2.0 22,-0.0 2,-0.4 -0.992 58.4-174.5-136.5 143.9 11.4 34.8 28.1 37 37 A C E +EF 86 57B 1 20,-0.5 20,-2.8 -2,-0.4 2,-0.3 -0.952 7.2 178.7-141.8 117.5 12.6 32.7 30.9 38 38 A E E -EF 85 56B 26 47,-1.6 47,-2.1 -2,-0.4 2,-0.6 -0.907 19.5-141.2-120.8 149.8 10.9 29.6 32.3 39 39 A V E -E 84 0B 0 16,-4.2 2,-0.6 -2,-0.3 45,-0.2 -0.909 10.5-166.7-115.8 111.5 11.8 27.1 35.1 40 40 A L E +E 83 0B 8 43,-2.5 43,-2.4 -2,-0.6 2,-0.3 -0.829 28.8 155.6 -92.9 123.0 11.1 23.4 34.6 41 41 A Y E +EG 82 53B 19 12,-2.7 12,-2.4 -2,-0.6 2,-0.3 -0.887 20.2 162.2-145.7 174.8 11.4 21.6 37.8 42 42 A A E -E 81 0B 20 39,-2.0 39,-2.4 -2,-0.3 2,-0.2 -0.951 50.6 -52.1-172.0-175.8 10.5 18.6 40.0 43 43 A D > - 0 0 21 -2,-0.3 3,-1.3 37,-0.2 37,-0.2 -0.515 49.5-121.5 -75.9 144.8 11.6 16.6 43.1 44 44 A R T 3 S+ 0 0 32 1,-0.3 -1,-0.1 -2,-0.2 36,-0.1 0.882 112.6 38.7 -54.0 -44.1 15.2 15.4 43.2 45 45 A Y T 3 S+ 0 0 74 828,-0.1 -1,-0.3 34,-0.1 829,-0.1 0.440 87.6 131.0 -88.9 2.8 14.3 11.7 43.4 46 46 A A < - 0 0 12 -3,-1.3 -4,-0.0 1,-0.1 827,-0.0 -0.261 67.0-100.9 -57.7 138.3 11.4 12.0 41.0 47 47 A S > - 0 0 49 1,-0.1 3,-1.7 2,-0.1 -1,-0.1 -0.223 23.2-120.1 -60.0 148.4 11.4 9.4 38.3 48 48 A P T 3 S+ 0 0 118 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.682 113.9 57.8 -64.1 -16.8 12.6 10.4 34.8 49 49 A E T 3 S+ 0 0 176 2,-0.1 -2,-0.1 0, 0.0 -3,-0.0 0.556 86.9 101.2 -90.7 -9.2 9.2 9.5 33.5 50 50 A E S < S- 0 0 110 -3,-1.7 2,-0.4 1,-0.1 -4,-0.0 -0.269 83.1 -90.1 -74.8 162.4 7.3 11.9 35.7 51 51 A E - 0 0 174 1,-0.1 2,-0.5 -2,-0.0 -1,-0.1 -0.584 34.4-129.5 -79.4 128.5 5.9 15.3 34.7 52 52 A L - 0 0 41 -2,-0.4 -10,-0.2 -10,-0.1 -1,-0.1 -0.640 22.0-131.6 -78.9 121.5 8.1 18.4 35.1 53 53 A A B -G 41 0B 41 -12,-2.4 -12,-2.7 -2,-0.5 2,-0.3 -0.322 22.9-136.8 -68.5 153.3 6.4 21.2 36.9 54 54 A H - 0 0 106 -14,-0.2 2,-0.3 2,-0.0 -14,-0.2 -0.732 21.2-179.5-113.3 163.7 6.6 24.7 35.2 55 55 A A - 0 0 12 -2,-0.3 -16,-4.2 -16,-0.1 2,-0.6 -0.881 22.1-135.7-161.9 125.8 7.3 28.2 36.5 56 56 A L E -F 38 0B 122 -2,-0.3 2,-0.6 -18,-0.2 16,-0.3 -0.768 17.3-142.0 -91.3 122.1 7.5 31.4 34.6 57 57 A A E -F 37 0B 8 -20,-2.8 -20,-0.5 -2,-0.6 14,-0.3 -0.718 17.5-145.5 -84.8 118.2 10.4 33.7 35.5 58 58 A G E -D 70 0A 38 12,-2.9 12,-3.7 -2,-0.6 2,-1.8 -0.512 24.1-107.1 -83.7 152.7 9.3 37.3 35.5 59 59 A K E -D 69 0A 124 10,-0.3 10,-0.3 -2,-0.2 -1,-0.1 -0.613 40.1-176.2 -77.7 86.9 11.6 40.1 34.5 60 60 A A E - 0 0 1 -2,-1.8 2,-0.3 8,-0.5 -1,-0.2 0.621 55.4 -47.7 -63.0 -17.8 12.2 41.5 38.0 61 61 A G E -D 68 0A 12 7,-1.3 7,-3.0 445,-0.1 2,-0.3 -0.910 47.9-130.4 163.3 171.1 14.3 44.5 36.9 62 62 A S - 0 0 32 -2,-0.3 5,-0.2 5,-0.2 337,-0.1 -0.900 16.2-170.7-155.7 124.6 17.2 45.6 34.7 63 63 A D - 0 0 5 3,-0.4 333,-0.1 -2,-0.3 334,-0.1 0.141 54.6 -55.5 -92.3-152.0 20.2 47.7 35.4 64 64 A E S S+ 0 0 95 1,-0.2 332,-0.0 329,-0.1 333,-0.0 0.890 131.6 3.0 -56.2 -46.0 23.0 49.2 33.2 65 65 A R S S+ 0 0 80 331,-0.1 -34,-3.1 -35,-0.1 2,-0.2 0.611 118.3 67.5-120.2 -17.5 24.0 45.9 31.6 66 66 A F E -C 30 0A 28 -36,-0.3 2,-0.4 -35,-0.1 -3,-0.4 -0.629 53.4-147.2-114.4 168.2 21.7 43.2 32.8 67 67 A D E -C 29 0A 1 -38,-2.2 -38,-1.6 -2,-0.2 2,-0.5 -0.981 22.9-152.1-121.6 132.4 18.2 41.8 32.8 68 68 A Y E -CD 28 61A 13 -7,-3.0 -7,-1.3 -2,-0.4 -8,-0.5 -0.956 9.0-168.3-114.2 130.2 17.1 40.0 36.0 69 69 A F E -CD 27 59A 6 -42,-3.4 -42,-2.8 -2,-0.5 2,-0.4 -0.934 6.6-172.0-114.5 138.4 14.5 37.3 35.8 70 70 A E E +CD 26 58A 32 -12,-3.7 -12,-2.9 -2,-0.4 2,-0.3 -0.985 7.1 171.1-135.2 142.8 12.9 35.9 38.9 71 71 A A E -C 25 0A 4 -46,-2.4 -46,-2.6 -2,-0.4 2,-0.4 -0.980 25.9-125.6-147.8 159.8 10.5 33.0 39.6 72 72 A L E -C 24 0A 49 -2,-0.3 2,-0.5 -16,-0.3 -48,-0.2 -0.892 17.7-155.6-111.6 134.8 9.0 31.1 42.5 73 73 A L E -C 23 0A 0 -50,-2.8 -50,-2.2 -2,-0.4 2,-0.6 -0.934 9.8-143.5-113.4 125.0 9.2 27.3 42.9 74 74 A E E +C 22 0A 108 -2,-0.5 2,-0.2 -52,-0.2 -52,-0.2 -0.757 24.0 176.8 -85.0 118.6 6.7 25.3 44.9 75 75 A C > + 0 0 3 -54,-4.2 3,-1.8 -2,-0.6 41,-0.1 -0.534 15.9 165.3-127.7 70.5 8.7 22.5 46.7 76 76 A S T 3 S+ 0 0 111 1,-0.3 -1,-0.1 -2,-0.2 -54,-0.1 0.808 84.9 54.3 -51.1 -32.7 6.4 20.4 48.9 77 77 A T T 3 S- 0 0 50 2,-0.3 -1,-0.3 -3,-0.1 3,-0.1 0.778 104.8-133.1 -72.7 -26.6 9.2 17.8 49.0 78 78 A K S < S+ 0 0 20 -3,-1.8 38,-1.6 1,-0.3 2,-0.3 0.665 82.1 88.2 77.5 19.7 11.6 20.5 50.2 79 79 A R + 0 0 13 36,-0.2 2,-0.3 -58,-0.1 -2,-0.3 -0.985 57.2 176.0-144.8 138.9 14.0 19.1 47.6 80 80 A V E - H 0 113B 1 33,-1.1 33,-2.3 -2,-0.3 2,-0.4 -0.999 25.0-163.5-155.7 148.6 14.1 20.3 43.9 81 81 A K E +EH 42 112B 58 -39,-2.4 -39,-2.0 -2,-0.3 2,-0.3 -0.982 27.5 175.2-125.6 134.9 15.9 19.9 40.6 82 82 A Y E -EH 41 111B 0 29,-2.4 29,-1.7 -2,-0.4 2,-0.3 -0.976 19.6-165.8-145.6 158.8 15.4 22.5 38.0 83 83 A V E -E 40 0B 5 -43,-2.4 -43,-2.5 -2,-0.3 2,-0.3 -0.995 22.3-125.7-142.6 142.5 16.4 23.7 34.5 84 84 A F E -EI 39 96B 2 12,-2.8 12,-2.6 -2,-0.3 2,-0.5 -0.658 8.2-156.9 -94.1 150.8 15.9 27.0 32.6 85 85 A L E -EI 38 95B 25 -47,-2.1 -47,-1.6 -2,-0.3 2,-0.4 -0.913 18.1-170.7-124.7 98.3 14.3 27.4 29.2 86 86 A L E -EI 37 94B 0 8,-2.4 8,-0.8 -2,-0.5 2,-0.4 -0.798 5.4-163.1 -98.8 131.4 15.5 30.7 27.7 87 87 A T E -EI 36 93B 30 -51,-2.0 -52,-2.1 -2,-0.4 -51,-1.5 -0.937 12.2-141.4-114.4 132.6 14.0 32.1 24.5 88 88 A G > - 0 0 5 4,-3.6 3,-0.8 -2,-0.4 -54,-0.2 -0.065 37.7 -85.6 -82.1-176.2 15.7 34.9 22.5 89 89 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -55,-0.1 0.494 127.8 44.8 -67.8 -3.0 14.3 37.9 20.6 90 90 A Q T 3 S- 0 0 172 2,-0.2 2,-1.3 0, 0.0 3,-0.1 -0.345 123.9 -89.2-141.5 58.2 13.8 35.5 17.7 91 91 A G S < S+ 0 0 62 -3,-0.8 0, 0.0 1,-0.2 0, 0.0 0.147 77.3 145.4 61.9 -24.5 12.3 32.3 18.9 92 92 A E - 0 0 79 -2,-1.3 -4,-3.6 -5,-0.1 2,-0.2 -0.202 29.4-169.5 -48.6 125.3 15.7 30.8 19.6 93 93 A A E +I 87 0B 57 -6,-0.3 2,-0.3 -3,-0.1 -6,-0.2 -0.724 12.5 171.5-115.3 167.2 15.3 28.6 22.7 94 94 A V E -I 86 0B 16 -8,-0.8 -8,-2.4 -2,-0.2 2,-0.3 -0.892 27.9-122.9-172.9 143.2 17.9 26.8 24.8 95 95 A Y E -IJ 85 102B 53 7,-3.0 7,-1.6 -2,-0.3 2,-0.5 -0.744 20.2-158.3 -96.4 144.5 18.1 24.9 28.1 96 96 A F E +IJ 84 101B 15 -12,-2.6 -12,-2.8 -2,-0.3 15,-0.3 -0.972 26.7 143.1-126.8 117.5 20.3 26.0 30.9 97 97 A G - 0 0 0 3,-1.9 12,-0.2 -2,-0.5 -14,-0.1 -0.717 65.9 -76.0-138.2-171.8 21.4 23.6 33.6 98 98 A E S S+ 0 0 34 -2,-0.2 11,-0.2 1,-0.2 3,-0.1 0.750 126.8 53.0 -64.7 -18.8 24.3 22.7 35.9 99 99 A T S S- 0 0 67 9,-1.8 2,-0.3 1,-0.3 -1,-0.2 0.878 115.9-102.1 -84.5 -38.1 26.0 21.0 32.9 100 100 A G - 0 0 15 8,-1.6 -3,-1.9 -3,-0.1 2,-0.5 -0.996 56.8 -27.6 152.6-151.0 25.8 23.9 30.5 101 101 A F E +J 96 0B 43 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.886 58.6 157.6-107.9 131.2 23.8 25.0 27.5 102 102 A S E -J 95 0B 13 -7,-1.6 -7,-3.0 -2,-0.5 6,-0.1 -0.982 46.8-136.1-145.7 153.4 22.0 22.6 25.2 103 103 A A S S+ 0 0 84 -2,-0.3 2,-0.6 -9,-0.2 3,-0.1 0.585 98.2 70.5 -84.1 -9.5 19.1 22.6 22.8 104 104 A E S >> S- 0 0 106 1,-0.1 4,-1.1 -9,-0.1 3,-0.9 -0.923 82.2-141.1-111.1 111.4 18.2 19.2 24.4 105 105 A R H >> S+ 0 0 116 -2,-0.6 4,-0.7 1,-0.3 3,-0.5 0.793 100.8 58.5 -34.9 -41.5 16.9 19.6 28.0 106 106 A S H >4 S+ 0 0 87 1,-0.2 3,-1.4 2,-0.2 -1,-0.3 0.950 103.1 47.5 -57.6 -56.0 18.8 16.4 28.8 107 107 A K H <4 S+ 0 0 130 -3,-0.9 -1,-0.2 1,-0.3 -2,-0.2 0.638 103.0 64.7 -64.5 -16.1 22.3 17.5 27.8 108 108 A A H << S- 0 0 0 -4,-1.1 -9,-1.8 -3,-0.5 -8,-1.6 0.708 94.2-148.8 -81.3 -20.2 21.9 20.8 29.7 109 109 A G << - 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