==== 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 30-MAR-07 2EPK . COMPND 2 MOLECULE: N-ACETYL-BETA-D-GLUCOSAMINIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS GORDONII; . AUTHOR D.B.LANGLEY . 613 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25006.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 444 72.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 19 3.1 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.5 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 . 28 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 242 39.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 2.4 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 2 2 1 1 0 2 1 1 3 0 3 0 0 1 1 1 0 0 0 1 0 0 0 1 0 1 0 RESIDUES PER ALPHA HELIX . 2 0 2 3 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 PARALLEL BRIDGES PER LADDER . 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 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 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 2 X A 0 0 53 0, 0.0 2,-0.3 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 148.1 97.9 21.6 47.2 2 3 X T E -a 27 0A 96 24,-2.4 26,-2.6 2,-0.0 2,-0.3 -0.874 360.0-152.2-118.9 155.3 101.3 21.6 45.4 3 4 X F E -a 28 0A 55 -2,-0.3 2,-0.4 24,-0.2 26,-0.2 -0.944 15.0-161.3-133.5 148.3 101.8 21.9 41.7 4 5 X L E S+a 29 0A 130 24,-1.9 26,-2.1 -2,-0.3 -2,-0.0 -0.993 80.3 29.0-124.7 131.5 104.2 20.9 38.9 5 6 X G S S+ 0 0 63 -2,-0.4 2,-0.2 1,-0.3 -1,-0.1 0.434 81.1 140.6 105.2 4.2 104.1 22.8 35.6 6 7 X L - 0 0 35 1,-0.1 -1,-0.3 4,-0.1 2,-0.1 -0.516 43.9-137.8 -80.4 143.8 102.9 26.2 36.7 7 8 X S > - 0 0 51 -2,-0.2 4,-2.2 1,-0.1 5,-0.1 -0.449 30.9-108.2 -83.6 167.8 104.1 29.5 35.4 8 9 X S H > S+ 0 0 76 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.886 123.5 56.3 -64.0 -36.4 104.8 32.4 37.8 9 10 X K H > S+ 0 0 77 1,-0.2 4,-1.3 2,-0.2 -1,-0.2 0.876 108.2 45.7 -59.2 -41.3 101.7 34.0 36.4 10 11 X Q H > S+ 0 0 11 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.858 108.1 57.9 -73.5 -33.9 99.6 30.9 37.2 11 12 X E H X S+ 0 0 103 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.928 106.9 47.6 -59.6 -45.6 101.1 30.8 40.7 12 13 X K H X S+ 0 0 140 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.854 110.7 52.0 -65.4 -35.0 99.9 34.4 41.4 13 14 X A H X S+ 0 0 1 -4,-1.3 4,-1.5 2,-0.2 -1,-0.2 0.919 107.5 51.8 -65.6 -44.1 96.4 33.5 40.1 14 15 X L H X S+ 0 0 18 -4,-2.4 4,-0.5 1,-0.2 -2,-0.2 0.826 106.3 54.8 -65.4 -30.2 96.2 30.5 42.4 15 16 X V H >< S+ 0 0 111 -4,-1.6 3,-0.8 1,-0.2 4,-0.3 0.928 110.2 46.7 -65.6 -43.0 97.1 32.7 45.3 16 17 X R H 3< S+ 0 0 89 -4,-1.7 -2,-0.2 1,-0.2 3,-0.2 0.759 116.8 43.8 -67.8 -26.9 94.2 34.9 44.4 17 18 X L H >X S+ 0 0 0 -4,-1.5 4,-2.0 1,-0.2 3,-1.6 0.390 81.5 104.2 -99.0 3.1 91.8 31.9 44.0 18 19 X D T << S+ 0 0 115 -3,-0.8 -1,-0.2 -4,-0.5 5,-0.1 0.878 77.5 55.1 -54.9 -43.5 93.0 30.1 47.2 19 20 X K T 34 S+ 0 0 131 -4,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.726 111.5 45.1 -63.2 -23.4 89.8 31.1 49.1 20 21 X Y T <4 S+ 0 0 21 -3,-1.6 2,-0.2 -4,-0.1 -1,-0.2 0.876 104.9 66.1 -85.7 -43.2 87.6 29.6 46.3 21 22 X L < - 0 0 9 -4,-2.0 2,-0.3 -7,-0.2 3,-0.1 -0.568 56.2-168.2 -85.0 141.5 89.4 26.3 45.8 22 23 X N + 0 0 95 -2,-0.2 -3,-0.1 1,-0.1 -1,-0.1 -0.612 29.8 147.7-124.5 72.7 89.6 23.6 48.5 23 24 X L - 0 0 18 -2,-0.3 -1,-0.1 1,-0.2 4,-0.0 0.765 32.0-168.8 -82.6 -24.7 92.2 21.3 47.0 24 25 X G - 0 0 32 1,-0.2 2,-1.6 -3,-0.1 -1,-0.2 -0.290 55.2 -20.3 69.6-155.3 93.7 20.1 50.3 25 26 X E S S+ 0 0 188 -24,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.563 97.7 124.4 -91.9 72.3 96.9 18.2 50.5 26 27 X I - 0 0 19 -2,-1.6 -24,-2.4 20,-0.0 2,-0.5 -0.817 55.8-127.3-122.1 166.7 97.1 16.9 46.9 27 28 X A E -ab 2 46A 25 18,-3.0 20,-2.5 -2,-0.3 2,-0.4 -0.974 23.9-168.7-117.6 131.2 99.6 17.1 44.1 28 29 X V E -ab 3 47A 4 -26,-2.6 -24,-1.9 -2,-0.5 2,-0.4 -0.955 6.5-162.0-121.0 138.3 98.5 18.4 40.7 29 30 X S E -ab 4 48A 42 18,-2.3 20,-3.0 -2,-0.4 2,-0.3 -0.950 15.1-142.7-117.9 140.6 100.5 18.3 37.5 30 31 X L E + b 0 49A 18 -26,-2.1 2,-0.3 -2,-0.4 20,-0.2 -0.787 17.4 179.6-107.2 146.4 99.6 20.5 34.5 31 32 X V E - b 0 50A 51 18,-2.1 20,-1.7 -2,-0.3 2,-0.5 -0.996 23.6-137.5-140.0 139.4 99.6 19.8 30.8 32 33 X T E + b 0 51A 100 -2,-0.3 2,-0.3 18,-0.2 20,-0.2 -0.860 36.7 162.9 -90.0 130.3 98.7 22.0 27.8 33 34 X D > - 0 0 69 18,-1.9 3,-0.8 -2,-0.5 20,-0.1 -0.887 33.9-162.8-157.9 117.6 96.7 19.9 25.3 34 35 X S T 3 S+ 0 0 89 -2,-0.3 18,-0.1 1,-0.2 3,-0.1 0.604 77.0 88.5 -77.8 -11.9 94.5 20.9 22.3 35 36 X A T 3 S+ 0 0 67 1,-0.2 2,-0.3 16,-0.1 -1,-0.2 0.810 104.1 7.0 -56.6 -31.7 92.8 17.5 22.1 36 37 X T S < S- 0 0 20 -3,-0.8 44,-0.2 1,-0.1 -3,-0.2 -0.990 71.0-121.4-156.6 144.5 90.1 18.6 24.6 37 38 X S S S+ 0 0 11 42,-0.3 15,-2.0 -2,-0.3 2,-0.3 0.920 95.7 2.1 -57.2 -50.1 89.2 21.8 26.4 38 39 X I E +CD 51 79A 0 41,-2.2 41,-2.7 13,-0.2 2,-0.4 -1.000 60.4 177.5-140.3 136.6 89.6 20.4 29.9 39 40 X K E -CD 50 78A 49 11,-2.4 11,-3.0 -2,-0.3 2,-0.4 -0.989 2.3-177.9-135.1 133.0 90.7 17.0 31.3 40 41 X V E +CD 49 77A 0 37,-2.5 37,-3.0 -2,-0.4 2,-0.3 -0.992 16.1 163.9-129.1 126.3 91.1 16.2 35.0 41 42 X E E +CD 48 76A 67 7,-2.4 7,-3.2 -2,-0.4 2,-0.3 -0.999 15.6 79.7-148.3 135.1 92.4 12.7 35.9 42 43 X G E -CD 47 75A 7 33,-2.0 33,-3.2 -2,-0.3 2,-0.3 -0.925 37.5-140.4 156.8-176.9 93.8 11.0 38.9 43 44 X R E > +C 46 0A 103 3,-1.6 3,-1.8 -2,-0.3 31,-0.2 -0.972 68.4 33.9-165.4 163.2 93.4 9.3 42.2 44 45 X Q T 3 S- 0 0 145 -2,-0.3 -1,-0.1 1,-0.3 30,-0.1 0.842 128.8 -47.8 47.5 45.8 94.9 8.9 45.7 45 46 X G T 3 S+ 0 0 19 28,-0.2 -18,-3.0 1,-0.1 2,-0.5 0.425 117.9 97.6 87.0 0.3 96.1 12.5 46.0 46 47 X Y E < +bC 27 43A 173 -3,-1.8 -3,-1.6 -20,-0.2 2,-0.3 -0.993 47.2 170.4-125.7 122.6 97.9 12.8 42.6 47 48 X Y E -bC 28 42A 11 -20,-2.5 -18,-2.3 -2,-0.5 2,-0.4 -0.956 24.7-147.4-133.6 149.5 96.0 14.5 39.7 48 49 X Q E -bC 29 41A 98 -7,-3.2 -7,-2.4 -2,-0.3 2,-0.5 -0.981 14.2-165.4-116.8 129.5 96.8 15.7 36.2 49 50 X V E -bC 30 40A 0 -20,-3.0 -18,-2.1 -2,-0.4 2,-0.4 -0.962 5.4-174.1-114.8 128.0 95.0 18.7 34.8 50 51 X S E -bC 31 39A 11 -11,-3.0 -11,-2.4 -2,-0.5 2,-0.3 -0.967 3.2-179.8-121.5 142.9 95.1 19.5 31.1 51 52 X Y E -bC 32 38A 15 -20,-1.7 -18,-1.9 -2,-0.4 -13,-0.2 -0.980 24.2-154.5-138.7 150.6 93.7 22.6 29.4 52 53 X K S S+ 0 0 104 -15,-2.0 -1,-0.1 -2,-0.3 -15,-0.1 0.921 88.6 36.9 -86.9 -59.6 93.5 23.9 25.8 53 54 X Q S > S- 0 0 53 -16,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.799 88.2-122.6 -93.5 138.7 93.2 27.6 26.5 54 55 X P T > S+ 0 0 63 0, 0.0 3,-1.7 0, 0.0 4,-0.3 0.836 109.4 57.0 -48.7 -42.2 95.2 29.0 29.4 55 56 X H T >> S+ 0 0 4 102,-0.5 3,-1.6 1,-0.3 4,-0.7 0.774 91.6 74.0 -64.6 -22.7 92.2 30.5 31.2 56 57 X Q H <> S+ 0 0 2 -3,-1.8 4,-2.5 1,-0.3 -1,-0.3 0.639 75.8 79.5 -65.5 -15.6 90.6 27.1 31.3 57 58 X L H <> S+ 0 0 0 -3,-1.7 4,-2.2 -4,-0.3 -1,-0.3 0.849 90.4 53.1 -52.9 -38.4 93.0 26.1 34.0 58 59 X Y H <> S+ 0 0 1 -3,-1.6 4,-1.5 -4,-0.3 -1,-0.2 0.887 109.5 45.2 -78.8 -35.0 90.9 27.8 36.5 59 60 X R H X S+ 0 0 1 -4,-0.7 4,-2.7 52,-0.2 -1,-0.2 0.912 110.9 57.0 -64.1 -41.1 87.7 26.1 35.5 60 61 X A H X S+ 0 0 0 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.928 108.3 45.1 -55.9 -46.7 89.7 22.8 35.5 61 62 X L H X S+ 0 0 0 -4,-2.2 4,-3.0 2,-0.2 -1,-0.2 0.821 110.3 54.6 -69.5 -32.1 90.8 23.3 39.1 62 63 X A H X S+ 0 0 3 -4,-1.5 4,-2.7 2,-0.2 -1,-0.2 0.919 108.3 49.6 -61.3 -45.2 87.2 24.3 40.1 63 64 X L H X S+ 0 0 2 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.920 113.4 46.3 -59.6 -44.3 86.0 21.0 38.6 64 65 X L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.946 111.9 50.5 -61.7 -50.0 88.7 19.2 40.6 65 66 X S H X S+ 0 0 0 -4,-3.0 4,-2.1 1,-0.2 -2,-0.2 0.912 112.5 47.4 -54.5 -45.9 87.9 21.1 43.8 66 67 X A H X S+ 0 0 5 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.865 110.0 52.2 -64.2 -39.5 84.2 20.2 43.4 67 68 X A H <>S+ 0 0 5 -4,-2.0 5,-2.1 2,-0.2 -1,-0.2 0.882 111.0 46.5 -68.8 -39.3 84.9 16.5 42.7 68 69 X L H ><5S+ 0 0 34 -4,-2.3 3,-1.8 3,-0.2 -1,-0.2 0.898 110.5 52.7 -68.7 -41.8 87.0 16.1 45.8 69 70 X R H 3<5S+ 0 0 91 -4,-2.1 -2,-0.2 1,-0.3 -1,-0.2 0.897 101.4 61.3 -58.4 -40.1 84.4 17.9 47.9 70 71 X S T 3<5S- 0 0 68 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.451 126.6-104.8 -67.9 0.6 81.8 15.5 46.5 71 72 X G T < 5S+ 0 0 66 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.1 0.508 71.9 146.2 92.1 7.1 83.9 12.8 48.2 72 73 X Q < + 0 0 81 -5,-2.1 -1,-0.3 1,-0.2 3,-0.1 -0.401 24.7 173.4 -73.6 150.1 85.5 11.4 45.0 73 74 X D S S+ 0 0 60 1,-0.3 2,-0.4 -2,-0.1 -28,-0.2 0.603 73.3 60.1-111.8 -58.5 89.1 10.1 45.1 74 75 X E S S- 0 0 72 -31,-0.2 2,-0.4 -30,-0.1 -1,-0.3 -0.578 75.2-170.7 -66.7 124.5 89.2 8.7 41.5 75 76 X V E +D 42 0A 0 -33,-3.2 -33,-2.0 -2,-0.4 2,-0.3 -0.989 18.9 166.2-126.3 127.0 88.6 11.6 39.2 76 77 X Q E +D 41 0A 128 -2,-0.4 2,-0.4 -35,-0.2 -35,-0.2 -0.837 15.4 159.4-138.8 101.5 88.0 11.4 35.4 77 78 X I E +D 40 0A 32 -37,-3.0 -37,-2.5 -2,-0.3 2,-0.3 -0.972 10.3 173.2-124.6 139.4 86.6 14.5 33.9 78 79 X E E -D 39 0A 124 -2,-0.4 2,-0.4 -39,-0.2 -39,-0.2 -0.969 5.2-178.9-146.6 125.8 86.7 15.6 30.2 79 80 X E E -D 38 0A 4 -41,-2.7 -41,-2.2 -2,-0.3 2,-0.5 -0.994 15.3-165.9-129.1 135.9 85.0 18.7 28.7 80 81 X E - 0 0 128 306,-0.5 2,-0.2 -2,-0.4 -2,-0.0 -0.974 25.4-140.0-113.5 111.7 84.9 19.9 25.2 81 82 X A - 0 0 24 -2,-0.5 305,-0.2 1,-0.1 304,-0.1 -0.480 2.7-147.8 -71.3 139.6 83.6 23.5 25.2 82 83 X A S S+ 0 0 35 303,-2.6 2,-0.5 -2,-0.2 -1,-0.1 0.767 81.6 54.0 -74.4 -28.7 81.1 24.5 22.4 83 84 X Y - 0 0 11 302,-0.2 272,-0.2 1,-0.1 273,-0.2 -0.939 62.4-155.2-120.5 129.4 82.3 28.1 22.2 84 85 X E S S+ 0 0 115 271,-0.8 2,-0.4 -2,-0.5 272,-0.2 0.773 92.9 34.2 -66.9 -31.9 85.8 29.4 21.7 85 86 X D E +e 356 0B 44 270,-2.1 272,-2.1 -3,-0.1 2,-0.4 -0.997 63.3 177.5-129.1 129.9 84.8 32.6 23.5 86 87 X L E -e 357 0B 5 -2,-0.4 30,-2.1 270,-0.2 31,-1.7 -0.995 18.4-177.1-130.8 121.3 82.3 32.9 26.3 87 88 X A E -ef 358 117B 0 270,-2.1 272,-3.0 -2,-0.4 2,-0.4 -0.899 22.9-151.2-125.3 146.0 81.9 36.5 27.6 88 89 X Y E -ef 359 118B 0 29,-1.7 31,-2.6 -2,-0.3 2,-0.6 -0.994 14.3-161.3-112.5 133.1 80.0 38.3 30.3 89 90 X X E -ef 360 119B 0 270,-2.8 272,-3.0 -2,-0.4 2,-0.3 -0.924 3.1-161.7-116.5 113.2 79.1 41.9 29.8 90 91 X A E -ef 361 120B 2 29,-2.3 31,-3.1 -2,-0.6 2,-0.5 -0.672 20.3-122.8 -92.0 144.8 78.2 44.1 32.7 91 92 X D E + f 0 121B 5 270,-1.3 7,-0.1 -2,-0.3 31,-0.1 -0.789 34.4 165.6 -86.1 123.2 76.3 47.3 32.3 92 93 X C + 0 0 0 29,-2.5 -1,-0.1 -2,-0.5 30,-0.1 -0.010 65.5 71.9-122.5 26.5 78.0 50.5 33.7 93 94 X S S S+ 0 0 3 29,-0.1 4,-0.1 3,-0.1 79,-0.1 0.504 73.8 74.7-114.7 -9.1 75.8 53.0 31.9 94 95 X R S S- 0 0 54 2,-0.3 272,-0.6 271,-0.1 3,-0.1 0.246 124.8 -79.6 -96.5 20.9 72.5 52.8 33.7 95 96 X N S S+ 0 0 32 43,-0.1 2,-0.9 1,-0.1 449,-0.1 -0.073 109.5 100.6 109.7 -24.4 73.9 54.7 36.8 96 97 X A - 0 0 4 447,-0.1 2,-0.7 267,-0.1 -2,-0.3 -0.815 49.7-174.7 -96.7 100.6 75.6 51.7 38.4 97 98 X V - 0 0 1 -2,-0.9 443,-2.8 445,-0.5 -5,-0.1 -0.873 29.1-123.6 -95.7 111.9 79.4 51.8 37.7 98 99 X L B -M 539 0C 2 -2,-0.7 441,-0.3 441,-0.3 2,-0.1 -0.293 26.9-129.0 -54.1 125.6 81.0 48.7 39.0 99 100 X N > - 0 0 29 439,-2.6 4,-2.4 1,-0.1 3,-0.4 -0.430 22.8-106.2 -78.1 161.5 83.8 49.6 41.4 100 101 X L H > S+ 0 0 25 1,-0.3 4,-2.2 2,-0.2 5,-0.2 0.889 117.1 52.9 -60.6 -41.0 87.3 48.2 40.9 101 102 X S H > S+ 0 0 80 1,-0.2 4,-1.7 2,-0.2 -1,-0.3 0.897 111.6 44.5 -62.3 -39.2 87.1 45.8 43.8 102 103 X S H > S+ 0 0 3 -3,-0.4 4,-2.8 436,-0.2 -1,-0.2 0.833 109.9 57.2 -74.1 -33.1 83.8 44.3 42.6 103 104 X A H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.874 107.1 49.0 -59.8 -40.2 85.2 44.1 39.1 104 105 X K H X S+ 0 0 62 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.872 110.9 49.4 -67.5 -41.3 88.1 42.0 40.5 105 106 X K H X S+ 0 0 25 -4,-1.7 4,-2.7 2,-0.2 5,-0.3 0.960 110.7 50.0 -60.4 -51.5 85.6 39.7 42.4 106 107 X X H X S+ 0 0 2 -4,-2.8 4,-3.5 1,-0.2 5,-0.2 0.939 109.4 52.1 -54.1 -44.6 83.6 39.2 39.2 107 108 X I H X S+ 0 0 0 -4,-2.0 4,-2.6 1,-0.2 -1,-0.2 0.912 109.4 49.0 -60.5 -43.4 86.7 38.4 37.2 108 109 X E H X S+ 0 0 13 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.930 114.0 45.4 -62.1 -46.2 87.8 35.8 39.7 109 110 X V H X S+ 0 0 0 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.944 112.7 50.9 -62.8 -49.0 84.3 34.2 39.7 110 111 X L H X>S+ 0 0 0 -4,-3.5 5,-1.9 -5,-0.3 4,-1.7 0.918 107.9 54.0 -54.0 -44.2 84.2 34.4 35.9 111 112 X A H <5S+ 0 0 0 -4,-2.6 3,-0.4 1,-0.2 -52,-0.2 0.937 109.5 46.7 -57.0 -49.3 87.6 32.7 35.7 112 113 X L H <5S+ 0 0 2 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.806 110.7 53.1 -62.2 -32.4 86.5 29.8 37.9 113 114 X X H <5S- 0 0 0 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.763 119.9-106.8 -76.8 -25.7 83.2 29.4 35.8 114 115 X G T <5 + 0 0 0 -4,-1.7 -3,-0.2 -3,-0.4 2,-0.1 0.520 63.0 151.9 110.9 8.0 85.1 29.2 32.6 115 116 X Y < - 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0 0 45 -4,-0.5 -1,-0.2 -5,-0.2 4,-0.1 -0.981 42.0-141.7-162.3 150.4 52.7 59.4 39.0 609 621 X A S S+ 0 0 88 -2,-0.3 3,-0.1 -3,-0.1 -1,-0.1 0.517 82.3 95.5 -84.1 -16.6 50.3 60.2 36.2 610 622 X S S S- 0 0 86 1,-0.1 2,-0.2 -3,-0.0 -2,-0.1 -0.238 92.2 -90.5 -71.1 165.6 51.4 63.9 36.5 611 623 X T + 0 0 111 1,-0.2 -1,-0.1 2,-0.1 -2,-0.1 -0.562 52.8 157.2 -75.1 142.7 54.1 65.4 34.4 612 624 X I S S+ 0 0 88 -2,-0.2 -1,-0.2 -4,-0.1 -3,-0.0 0.504 74.5 24.2-136.8 -37.0 57.5 65.0 35.9 613 625 X Y 0 0 138 -9,-0.1 -2,-0.1 0, 0.0 -9,-0.0 0.762 360.0 360.0-102.0 -31.4 60.1 65.3 33.0 614 626 X T 0 0 154 0, 0.0 -3,-0.0 0, 0.0 0, 0.0 -0.360 360.0 360.0 -83.2 360.0 58.2 67.3 30.3