==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 01-DEC-06 2E40 . COMPND 2 MOLECULE: BETA-GLUCOSIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PHANEROCHAETE CHRYSOSPORIUM; . AUTHOR Y.NIJIKKEN,T.TSUKADA,K.IGARASHI,M.SAMEJIMA,S.FUSHINOBU . 918 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 32933.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 697 75.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 104 11.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 40 4.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 59 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 310 33.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 28 3.1 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 8 2 0 6 1 3 1 1 0 2 2 2 2 0 0 4 0 0 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 10 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 . 10 0 0 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 0 ANTIPARALLEL BRIDGES PER LADDER . 2 2 1 0 0 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 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 4 A A 0 0 93 0, 0.0 2,-0.3 0, 0.0 395,-0.0 0.000 360.0 360.0 360.0 141.5 -2.8 -38.1 11.4 2 5 A K - 0 0 84 398,-0.1 455,-0.2 394,-0.0 454,-0.1 -0.972 360.0-119.5-134.2 148.4 -2.8 -35.0 13.6 3 6 A L B -a 457 0A 0 453,-3.4 455,-3.2 -2,-0.3 404,-0.1 -0.436 52.7 -84.4 -75.7 155.4 -2.9 -31.2 13.1 4 7 A P > - 0 0 63 0, 0.0 3,-2.2 0, 0.0 -1,-0.1 -0.235 36.9-110.4 -62.6 154.0 0.1 -29.4 14.6 5 8 A K T 3 S+ 0 0 134 1,-0.3 -2,-0.1 452,-0.1 452,-0.0 0.774 116.7 63.0 -53.3 -30.2 -0.0 -28.4 18.3 6 9 A S T 3 S+ 0 0 91 2,-0.1 -1,-0.3 402,-0.0 451,-0.0 0.641 76.9 114.3 -72.7 -14.8 -0.3 -24.7 17.3 7 10 A F < - 0 0 1 -3,-2.2 2,-0.4 401,-0.1 401,-0.2 -0.315 55.3-151.6 -59.8 135.4 -3.7 -25.4 15.5 8 11 A V E +b 408 0B 20 399,-1.9 401,-1.7 63,-0.0 2,-0.3 -0.898 16.6 176.5-113.8 142.1 -6.6 -23.6 17.2 9 12 A W E +b 409 0B 8 -2,-0.4 62,-2.4 399,-0.2 63,-1.8 -0.955 20.2 112.3-137.3 157.6 -10.2 -24.7 17.2 10 13 A G E -bc 410 72B 1 399,-1.6 401,-2.8 -2,-0.3 2,-0.3 -0.931 55.3 -65.1 174.1-150.4 -13.4 -23.3 18.9 11 14 A Y E -bc 411 73B 0 61,-0.8 63,-2.8 399,-0.3 2,-0.3 -0.837 32.3-140.7-128.5 165.2 -16.7 -21.7 18.1 12 15 A A E +bc 412 74B 0 399,-2.3 402,-1.0 -2,-0.3 401,-0.5 -0.935 19.0 168.1-129.1 151.3 -17.9 -18.4 16.6 13 16 A T - 0 0 0 61,-1.7 2,-0.4 -2,-0.3 3,-0.1 -0.885 24.7-131.5-147.0 172.0 -20.7 -16.0 17.3 14 17 A A > - 0 0 0 -2,-0.3 4,-1.0 61,-0.2 5,-0.3 -0.986 23.3-120.1-132.4 142.6 -21.7 -12.5 16.3 15 18 A A H >> S+ 0 0 1 -2,-0.4 4,-2.6 1,-0.2 3,-0.9 0.894 109.2 42.2 -48.8 -57.4 -22.7 -9.7 18.6 16 19 A Y H 34 S+ 0 0 10 104,-0.3 4,-0.3 1,-0.2 -1,-0.2 0.826 110.4 60.0 -64.9 -28.6 -26.2 -8.9 17.4 17 20 A Q H 34 S+ 0 0 1 -3,-0.3 401,-2.3 1,-0.1 -1,-0.2 0.717 124.7 11.1 -72.6 -20.8 -27.0 -12.6 17.0 18 21 A I H << S+ 0 0 8 -4,-1.0 36,-2.7 -3,-0.9 34,-0.6 0.645 107.8 75.7-128.9 -26.1 -26.5 -13.5 20.6 19 22 A E < + 0 0 12 -4,-2.6 36,-2.1 -5,-0.3 37,-0.5 0.888 52.9 177.6 -64.7 -49.9 -26.2 -10.5 22.9 20 23 A G + 0 0 5 28,-0.4 30,-0.3 -4,-0.3 -1,-0.1 -0.471 46.3 102.6 73.6-153.2 -29.6 -8.9 23.5 21 24 A S > + 0 0 16 28,-0.7 3,-1.0 1,-0.1 6,-0.2 0.896 49.7 178.7 38.4 55.2 -29.6 -6.0 25.9 22 25 A P T 3 S+ 0 0 26 0, 0.0 -1,-0.1 0, 0.0 28,-0.1 0.680 77.0 24.7 -59.4 -24.0 -29.8 -3.6 22.8 23 26 A D T > S+ 0 0 131 26,-0.1 3,-0.6 3,-0.0 2,-0.1 0.207 93.8 123.3-127.5 15.2 -29.9 -0.4 24.9 24 27 A K G X S+ 0 0 83 -3,-1.0 3,-1.7 1,-0.2 -4,-0.0 -0.472 76.1 6.6 -79.2 149.5 -28.1 -1.6 28.0 25 28 A D G 3 S- 0 0 75 1,-0.3 -1,-0.2 -2,-0.1 71,-0.2 0.853 135.8 -49.8 48.0 46.0 -25.0 0.2 29.3 26 29 A G G < S+ 0 0 39 -3,-0.6 -1,-0.3 1,-0.2 -2,-0.1 0.467 89.6 152.7 79.7 1.7 -25.1 3.0 26.8 27 30 A R < - 0 0 10 -3,-1.7 -1,-0.2 -6,-0.2 54,-0.2 -0.446 26.3-160.4 -68.4 137.0 -25.6 1.0 23.6 28 31 A E - 0 0 66 52,-1.8 52,-0.1 -2,-0.1 55,-0.1 -0.756 34.1 -68.9-111.4 162.6 -27.3 2.9 20.8 29 32 A P - 0 0 70 0, 0.0 96,-2.6 0, 0.0 97,-0.5 -0.064 38.7-155.5 -53.7 146.2 -29.1 1.3 17.8 30 33 A S B >> -J 124 0C 0 94,-0.3 4,-1.6 95,-0.2 3,-0.8 -0.691 40.2 -97.9-110.6 168.2 -27.3 -0.4 14.9 31 34 A I H 3> S+ 0 0 5 92,-2.5 4,-2.5 -2,-0.3 91,-0.1 0.763 125.1 58.7 -61.5 -23.1 -28.8 -0.7 11.4 32 35 A W H 3> S+ 0 0 2 91,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.847 100.0 54.1 -75.7 -31.3 -29.9 -4.2 12.4 33 36 A D H <4 S+ 0 0 10 -3,-0.8 4,-0.3 2,-0.2 -2,-0.2 0.932 114.1 43.7 -63.3 -44.1 -32.0 -3.0 15.4 34 37 A T H >< S+ 0 0 64 -4,-1.6 3,-1.6 1,-0.2 4,-0.3 0.922 110.6 54.5 -64.5 -48.1 -33.7 -0.6 12.9 35 38 A F H >< S+ 0 0 12 -4,-2.5 3,-1.7 1,-0.3 6,-0.2 0.876 102.1 57.6 -55.7 -42.4 -34.1 -3.3 10.2 36 39 A C T 3< S+ 0 0 17 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.579 99.5 59.6 -69.2 -8.2 -35.9 -5.7 12.6 37 40 A K T < S+ 0 0 151 -3,-1.6 -1,-0.3 -4,-0.3 -2,-0.2 0.451 84.9 95.9 -97.0 -1.6 -38.5 -3.1 13.3 38 41 A A S X S- 0 0 38 -3,-1.7 3,-1.6 -4,-0.3 4,-0.4 -0.788 84.2-114.5 -91.1 123.4 -39.5 -3.1 9.6 39 42 A P T 3 S+ 0 0 128 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.215 94.0 13.9 -58.3 141.4 -42.4 -5.3 8.8 40 43 A G T 3 S+ 0 0 84 2,-0.3 3,-0.1 -4,-0.1 -4,-0.1 0.341 97.5 101.6 78.4 -7.6 -41.8 -8.3 6.6 41 44 A K S < S+ 0 0 75 -3,-1.6 2,-0.5 -6,-0.2 -5,-0.1 0.836 77.2 50.0 -78.4 -34.0 -38.0 -8.1 6.9 42 45 A I S > S- 0 0 8 -4,-0.4 3,-2.4 -6,-0.1 -2,-0.3 -0.937 81.5-136.3-110.7 123.4 -37.6 -10.9 9.4 43 46 A A T 3 S+ 0 0 76 378,-3.1 379,-0.1 -2,-0.5 -1,-0.1 0.809 104.0 30.8 -41.8 -50.0 -39.3 -14.2 8.6 44 47 A D T 3 S- 0 0 46 377,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.210 111.3-113.0 -99.5 15.4 -40.6 -14.9 12.1 45 48 A G S < S+ 0 0 66 -3,-2.4 -2,-0.1 376,-0.2 2,-0.1 0.723 74.0 134.0 62.3 22.6 -41.1 -11.2 13.0 46 49 A S - 0 0 23 375,-0.1 2,-0.3 2,-0.0 -1,-0.2 -0.240 36.3-163.7 -93.6-176.1 -38.3 -11.5 15.6 47 50 A S - 0 0 24 -3,-0.1 4,-0.5 -2,-0.1 3,-0.5 -0.905 38.4 -98.8-154.4 178.7 -35.3 -9.3 16.4 48 51 A G S S+ 0 0 1 -2,-0.3 -28,-0.4 1,-0.2 4,-0.1 0.134 81.7 117.6 -93.7 20.5 -32.1 -9.4 18.4 49 52 A D S S- 0 0 66 1,-0.1 -28,-0.7 -29,-0.1 -1,-0.2 0.816 99.2 -2.1 -56.2 -33.2 -33.7 -7.6 21.3 50 53 A V S > S+ 0 0 84 -3,-0.5 3,-2.7 -30,-0.3 4,-0.2 0.655 83.2 155.1-123.5 -50.9 -33.1 -10.7 23.5 51 54 A A T 3 S- 0 0 3 -4,-0.5 -33,-0.2 1,-0.3 -32,-0.1 -0.299 85.4 -24.3 53.9-130.9 -31.5 -13.4 21.4 52 55 A T T 3 S- 0 0 0 -34,-0.6 -1,-0.3 -35,-0.2 -33,-0.1 0.209 83.5-122.5 -95.7 14.7 -29.5 -15.7 23.8 53 56 A D <> + 0 0 28 -3,-2.7 4,-2.4 1,-0.1 3,-0.4 0.807 59.9 152.4 50.5 33.7 -29.1 -12.9 26.3 54 57 A S T 4 + 0 0 6 -36,-2.7 -35,-0.3 -4,-0.2 -34,-0.1 0.590 57.7 67.4 -71.9 -12.8 -25.4 -13.4 26.0 55 58 A Y T >4 S+ 0 0 6 -36,-2.1 3,-0.6 -37,-0.3 -1,-0.2 0.936 115.0 30.5 -70.4 -43.3 -24.5 -9.8 26.9 56 59 A N T 34 S+ 0 0 65 -37,-0.5 3,-0.4 -3,-0.4 -2,-0.2 0.850 125.0 46.6 -79.5 -36.7 -25.8 -10.5 30.4 57 60 A R T 3X S+ 0 0 88 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 -0.010 72.0 123.9 -96.8 30.4 -24.8 -14.2 30.4 58 61 A W H <> S+ 0 0 34 -3,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.859 72.4 54.2 -58.3 -37.8 -21.3 -13.7 29.0 59 62 A R H > S+ 0 0 137 -3,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.941 107.1 50.1 -61.4 -48.3 -19.8 -15.5 32.0 60 63 A E H > S+ 0 0 63 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.892 108.6 53.0 -57.6 -42.5 -22.0 -18.6 31.4 61 64 A D H X S+ 0 0 6 -4,-2.1 4,-2.4 1,-0.2 -1,-0.2 0.898 108.9 49.5 -62.4 -40.2 -21.0 -18.6 27.7 62 65 A V H X S+ 0 0 0 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.918 110.4 49.9 -64.8 -42.4 -17.3 -18.6 28.7 63 66 A Q H X S+ 0 0 125 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.870 110.1 52.1 -62.6 -36.4 -17.8 -21.4 31.1 64 67 A L H X S+ 0 0 21 -4,-2.2 4,-1.2 2,-0.2 -2,-0.2 0.930 109.5 48.3 -64.4 -46.5 -19.6 -23.3 28.4 65 68 A L H <>S+ 0 0 0 -4,-2.4 5,-1.6 1,-0.2 4,-0.5 0.914 112.3 49.6 -59.6 -43.9 -16.6 -22.8 26.0 66 69 A K H ><5S+ 0 0 99 -4,-2.6 3,-1.6 1,-0.2 -2,-0.2 0.916 107.2 53.9 -62.4 -43.6 -14.2 -23.9 28.7 67 70 A S H 3<5S+ 0 0 85 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.8 55.0 -63.2 -23.8 -16.3 -27.0 29.4 68 71 A Y T 3<5S- 0 0 16 -4,-1.2 -1,-0.3 -3,-0.4 -2,-0.2 0.551 109.7-125.7 -85.2 -9.7 -16.0 -27.8 25.6 69 72 A G T < 5 + 0 0 46 -3,-1.6 -3,-0.2 -4,-0.5 -2,-0.1 0.734 46.4 170.2 72.8 23.6 -12.2 -27.7 25.8 70 73 A V < - 0 0 11 -5,-1.6 -60,-0.2 1,-0.1 -1,-0.2 -0.250 32.5-152.2 -65.6 155.2 -12.0 -25.1 23.0 71 74 A K S S+ 0 0 62 -62,-2.4 42,-2.9 1,-0.2 2,-0.3 0.635 77.6 14.8 -98.8 -21.1 -8.6 -23.5 22.3 72 75 A A E -cd 10 113B 0 -63,-1.8 -61,-0.8 40,-0.3 2,-0.4 -0.962 59.2-149.3-149.8 164.8 -10.1 -20.3 20.9 73 76 A Y E -cd 11 114B 9 40,-2.5 42,-2.7 -2,-0.3 2,-0.5 -0.981 8.3-156.0-142.1 125.2 -13.3 -18.3 20.7 74 77 A R E +cd 12 115B 0 -63,-2.8 -61,-1.7 -2,-0.4 2,-0.3 -0.896 28.6 150.1-103.5 125.8 -14.4 -16.0 17.8 75 78 A F E - d 0 116B 7 40,-1.9 42,-2.5 -2,-0.5 2,-0.3 -0.907 34.6-121.6-144.2 167.9 -16.9 -13.3 18.7 76 79 A S E - d 0 117B 2 -2,-0.3 2,-0.4 40,-0.2 42,-0.2 -0.823 16.0-122.9-118.0 160.3 -17.6 -9.8 17.4 77 80 A L - 0 0 0 40,-2.1 2,-1.0 -2,-0.3 43,-0.4 -0.837 22.2-127.4-100.3 132.5 -17.7 -6.3 19.0 78 81 A S >> - 0 0 1 -2,-0.4 3,-2.4 1,-0.2 4,-1.0 -0.719 17.4-154.7 -80.1 106.8 -20.9 -4.3 18.7 79 82 A W H >> S+ 0 0 2 -2,-1.0 4,-2.7 1,-0.3 3,-0.9 0.870 91.6 58.3 -47.8 -43.7 -19.6 -1.0 17.3 80 83 A S H 34 S+ 0 0 0 42,-0.5 -52,-1.8 1,-0.2 -1,-0.3 0.384 100.4 56.5 -74.9 6.5 -22.5 0.9 18.9 81 84 A R H <4 S+ 0 0 2 -3,-2.4 15,-0.4 -54,-0.2 16,-0.3 0.662 114.2 38.4-101.2 -27.2 -21.6 -0.3 22.4 82 85 A I H << S+ 0 0 0 -4,-1.0 11,-2.9 -3,-0.9 -2,-0.2 0.853 140.4 10.8 -89.4 -45.1 -18.1 1.1 22.1 83 86 A I S >< S- 0 0 1 -4,-2.7 3,-1.4 9,-0.2 -1,-0.3 -0.821 78.5-160.7-135.0 89.1 -18.9 4.4 20.2 84 87 A P T 3 S+ 0 0 11 0, 0.0 42,-0.3 0, 0.0 41,-0.2 0.818 92.9 33.1 -39.7 -49.6 -22.7 4.5 20.4 85 88 A K T 3 S- 0 0 78 6,-0.4 -5,-0.1 2,-0.1 42,-0.1 0.552 106.0-135.7 -88.5 -8.6 -23.1 6.9 17.5 86 89 A G < + 0 0 0 -3,-1.4 61,-0.1 5,-0.2 -5,-0.0 0.050 56.4 124.7 83.0 -24.7 -20.1 5.4 15.8 87 90 A G > - 0 0 1 1,-0.1 3,-1.4 59,-0.1 -1,-0.2 -0.257 69.8-118.4 -76.6 159.2 -18.2 8.5 14.7 88 91 A R T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.0 4,-0.1 0.683 118.4 41.4 -64.3 -19.9 -14.6 9.6 15.3 89 92 A S T 3 S+ 0 0 117 2,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.324 95.6 104.1-108.9 4.2 -15.9 12.7 17.1 90 93 A D S < S- 0 0 25 -3,-1.4 -4,-0.0 1,-0.1 2,-0.0 -0.534 84.9 -84.4 -86.0 154.9 -18.7 11.0 18.9 91 94 A P - 0 0 98 0, 0.0 -6,-0.4 0, 0.0 2,-0.3 -0.284 41.3-129.3 -58.7 135.3 -18.6 10.2 22.7 92 95 A V - 0 0 80 -9,-0.2 2,-0.8 -8,-0.1 -9,-0.2 -0.644 15.4-132.2 -85.8 144.4 -16.9 6.9 23.6 93 96 A N >> - 0 0 27 -11,-2.9 4,-1.9 -2,-0.3 3,-0.6 -0.797 17.9-172.0-104.2 95.7 -18.8 4.6 25.9 94 97 A G H 3> S+ 0 0 49 -2,-0.8 4,-2.7 1,-0.2 5,-0.2 0.840 84.2 56.3 -51.6 -40.4 -16.6 3.4 28.7 95 98 A A H 3> S+ 0 0 46 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.880 107.1 48.6 -62.5 -39.8 -19.1 0.8 30.0 96 99 A G H <> S+ 0 0 0 -3,-0.6 4,-1.7 -15,-0.4 -14,-0.2 0.926 112.9 47.3 -66.2 -44.2 -19.3 -0.9 26.6 97 100 A I H X S+ 0 0 26 -4,-1.9 4,-2.5 -16,-0.3 -2,-0.2 0.927 111.1 51.7 -61.9 -45.4 -15.5 -1.1 26.3 98 101 A K H X S+ 0 0 141 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.886 104.4 58.1 -59.7 -40.5 -15.2 -2.4 29.8 99 102 A H H X S+ 0 0 21 -4,-2.0 4,-2.0 1,-0.2 -1,-0.2 0.945 112.3 38.8 -54.9 -51.9 -17.8 -5.1 29.1 100 103 A Y H X S+ 0 0 0 -4,-1.7 4,-2.6 2,-0.2 -1,-0.2 0.850 113.4 56.0 -69.4 -34.3 -15.7 -6.5 26.2 101 104 A R H X S+ 0 0 55 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.928 110.0 46.4 -62.4 -44.2 -12.5 -6.0 28.1 102 105 A T H X S+ 0 0 37 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.890 111.5 51.3 -65.0 -40.8 -13.8 -8.1 31.0 103 106 A L H X S+ 0 0 15 -4,-2.0 4,-1.8 -5,-0.2 -2,-0.2 0.937 112.1 46.7 -61.5 -47.2 -15.1 -10.8 28.6 104 107 A I H X S+ 0 0 0 -4,-2.6 4,-2.3 1,-0.2 -2,-0.2 0.891 109.8 53.4 -62.9 -40.9 -11.7 -11.0 27.0 105 108 A E H X S+ 0 0 65 -4,-2.3 4,-2.3 1,-0.2 -1,-0.2 0.836 106.9 52.4 -65.1 -31.0 -9.9 -11.1 30.3 106 109 A E H X S+ 0 0 41 -4,-1.7 4,-1.6 2,-0.2 -1,-0.2 0.883 108.2 51.1 -70.6 -38.0 -12.1 -14.0 31.4 107 110 A L H <>S+ 0 0 0 -4,-1.8 5,-3.1 2,-0.2 4,-0.3 0.915 110.4 49.6 -63.9 -41.4 -11.1 -15.8 28.2 108 111 A V H ><5S+ 0 0 68 -4,-2.3 3,-1.4 1,-0.2 -2,-0.2 0.922 109.0 51.0 -63.0 -44.8 -7.5 -15.2 29.0 109 112 A K H 3<5S+ 0 0 153 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.810 112.2 48.2 -62.9 -30.2 -7.9 -16.5 32.6 110 113 A E T 3<5S- 0 0 52 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H X S+ 0 0 2 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.882 112.4 48.0 -72.8 -37.7 -24.7 12.2 -21.8 604 147 B F H X S+ 0 0 0 -4,-2.6 4,-3.1 -5,-0.2 -2,-0.2 0.909 111.0 52.1 -68.4 -39.4 -27.8 14.3 -21.1 605 148 B T H X S+ 0 0 32 -4,-2.3 4,-2.9 -5,-0.3 -2,-0.2 0.909 110.6 47.5 -61.9 -42.0 -26.1 17.4 -22.5 606 149 B N H X S+ 0 0 51 -4,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.895 112.7 49.3 -65.1 -41.2 -25.2 15.5 -25.7 607 150 B Y H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 -2,-0.2 0.938 112.2 47.9 -62.2 -48.8 -28.7 14.2 -25.9 608 151 B A H X S+ 0 0 0 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.946 111.2 51.1 -58.0 -49.0 -30.1 17.7 -25.4 609 152 B K H X S+ 0 0 100 -4,-2.9 4,-2.8 1,-0.2 5,-0.3 0.928 108.8 50.8 -54.4 -49.1 -27.8 19.1 -28.1 610 153 B L H X S+ 0 0 36 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.852 113.1 46.4 -58.4 -37.0 -28.8 16.5 -30.6 611 154 B C H X>S+ 0 0 0 -4,-1.9 4,-2.7 2,-0.2 5,-0.6 0.897 111.1 50.9 -73.3 -41.6 -32.5 17.3 -30.0 612 155 B F H X5S+ 0 0 0 -4,-2.9 4,-1.8 3,-0.2 -2,-0.2 0.927 116.4 41.9 -60.7 -44.8 -31.9 21.1 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