==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-98 1B3R . COMPND 2 MOLECULE: PROTEIN (S-ADENOSYLHOMOCYSTEINE HYDROLASE); . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR Y.HU,J.KOMOTO,Y.HUANG,F.TAKUSAGAWA,T.GOMI,H.OGAWA,Y.TAKATA, . 1712 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1311 76.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 226 13.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 4.0 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 . 8 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 2 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 . 99 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 210 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 587 34.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 41 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 13 1 0 10 2 12 6 7 8 3 2 1 1 0 0 0 4 0 0 0 2 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 11 6 17 14 8 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 . 0 4 0 0 6 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 ANTIPARALLEL BRIDGES PER LADDER . 5 0 0 0 0 1 3 4 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 L 0 0 149 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 149.3 35.4 -41.3 35.1 2 5 A P - 0 0 75 0, 0.0 2,-0.3 0, 0.0 93,-0.1 0.663 360.0 -28.2 -89.5 -24.9 37.9 -38.9 33.3 3 6 A Y - 0 0 74 91,-0.2 93,-0.2 68,-0.1 2,-0.2 -0.939 51.6-137.5-171.8-177.3 35.4 -38.0 30.7 4 7 A K E +a 96 0A 95 91,-2.6 93,-1.6 -2,-0.3 2,-0.3 -0.711 30.0 162.4-164.5 97.2 32.3 -39.3 28.9 5 8 A V E -a 97 0A 11 -2,-0.2 3,-0.3 91,-0.2 93,-0.2 -0.939 47.2-120.1-119.3 147.4 32.1 -38.6 25.1 6 9 A A S S- 0 0 59 91,-0.6 2,-0.2 -2,-0.3 92,-0.1 0.813 100.2 -3.0 -56.4 -32.5 29.8 -40.5 22.7 7 10 A D > - 0 0 79 75,-0.2 3,-0.8 1,-0.0 -1,-0.3 -0.770 51.3-164.8-165.5 116.4 32.9 -41.6 20.8 8 11 A I T 3 S+ 0 0 70 -3,-0.3 3,-0.5 -2,-0.2 4,-0.2 0.311 81.3 85.0 -84.4 10.4 36.6 -40.7 21.4 9 12 A G T > S+ 0 0 56 1,-0.2 3,-0.5 2,-0.1 4,-0.2 0.779 79.2 60.7 -81.6 -26.6 37.3 -42.0 17.9 10 13 A L T X> S+ 0 0 37 -3,-0.8 4,-3.0 1,-0.2 3,-1.0 0.511 77.0 102.5 -77.6 -4.0 36.5 -38.7 16.2 11 14 A A H 3> S+ 0 0 5 -3,-0.5 4,-2.6 1,-0.3 -1,-0.2 0.889 77.8 48.0 -44.7 -56.4 39.2 -37.1 18.2 12 15 A A H <> S+ 0 0 59 -3,-0.5 4,-1.0 1,-0.3 -1,-0.3 0.783 116.9 45.3 -59.7 -28.5 41.8 -36.9 15.4 13 16 A W H <> S+ 0 0 140 -3,-1.0 4,-2.3 -4,-0.2 -1,-0.3 0.821 107.7 57.5 -82.0 -35.8 39.1 -35.5 13.2 14 17 A G H X S+ 0 0 0 -4,-3.0 4,-3.0 69,-0.3 -2,-0.2 0.934 104.3 52.6 -60.6 -43.4 38.0 -33.1 15.9 15 18 A R H X S+ 0 0 49 -4,-2.6 4,-3.0 1,-0.2 5,-0.3 0.927 105.1 55.3 -58.1 -45.1 41.4 -31.7 16.0 16 19 A K H X S+ 0 0 139 -4,-1.0 4,-0.8 1,-0.2 -1,-0.2 0.934 109.7 46.0 -53.5 -49.7 41.3 -31.1 12.3 17 20 A A H >X S+ 0 0 23 -4,-2.3 4,-2.2 1,-0.2 3,-1.3 0.947 112.8 51.8 -58.4 -47.9 38.1 -29.1 12.7 18 21 A L H 3X S+ 0 0 0 -4,-3.0 4,-2.5 1,-0.3 -2,-0.2 0.901 103.5 55.4 -56.6 -46.6 39.7 -27.2 15.6 19 22 A D H 3< S+ 0 0 60 -4,-3.0 4,-0.3 1,-0.2 -1,-0.3 0.645 112.7 44.8 -65.0 -14.2 42.9 -26.2 13.7 20 23 A I H X< S+ 0 0 56 -3,-1.3 3,-0.6 -4,-0.8 4,-0.4 0.825 111.0 50.4 -95.1 -41.8 40.7 -24.7 11.0 21 24 A A H >< S+ 0 0 9 -4,-2.2 3,-2.0 1,-0.2 -2,-0.2 0.871 97.8 69.6 -64.0 -37.4 38.3 -22.8 13.3 22 25 A E G >< S+ 0 0 35 -4,-2.5 3,-2.2 1,-0.3 7,-0.3 0.876 91.1 60.9 -48.6 -40.6 41.2 -21.3 15.3 23 26 A N G < S+ 0 0 42 -3,-0.6 -1,-0.3 -4,-0.3 -2,-0.2 0.768 108.9 42.4 -58.8 -28.9 42.0 -19.2 12.2 24 27 A E G < S+ 0 0 32 -3,-2.0 331,-0.3 -4,-0.4 -1,-0.3 0.144 106.2 65.5-103.2 12.7 38.5 -17.6 12.5 25 28 A M X> + 0 0 0 -3,-2.2 4,-1.7 -4,-0.1 3,-0.9 -0.372 54.5 152.7-128.8 55.7 38.7 -17.3 16.3 26 29 A P H 3> + 0 0 17 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.702 68.2 67.8 -59.4 -18.7 41.6 -14.7 16.6 27 30 A G H 3> S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.967 104.8 40.1 -66.7 -45.6 40.1 -13.6 19.9 28 31 A L H <> S+ 0 0 0 -3,-0.9 4,-1.4 1,-0.2 -1,-0.2 0.885 114.6 54.4 -71.2 -33.9 40.9 -16.9 21.5 29 32 A M H X S+ 0 0 47 -4,-1.7 4,-2.3 -7,-0.3 -1,-0.2 0.829 107.9 47.7 -70.3 -34.5 44.2 -17.0 19.8 30 33 A R H X S+ 0 0 68 -4,-2.2 4,-2.0 2,-0.2 5,-0.2 0.912 104.7 60.1 -74.2 -38.5 45.4 -13.6 21.1 31 34 A M H X S+ 0 0 2 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.881 110.7 43.7 -53.6 -37.2 44.3 -14.5 24.6 32 35 A R H >X S+ 0 0 38 -4,-1.4 4,-3.3 2,-0.2 3,-0.7 0.975 113.7 45.6 -72.8 -56.9 46.8 -17.3 24.3 33 36 A E H 3< S+ 0 0 146 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.725 120.9 46.0 -62.0 -12.3 49.7 -15.5 22.7 34 37 A M H 3< S+ 0 0 91 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.695 132.5 9.0-101.6 -23.8 49.0 -12.8 25.3 35 38 A Y H < - 0 0 82 -4,-2.2 3,-1.4 26,-0.3 -3,-0.1 0.937 17.7-178.6 46.2 69.0 49.0 -18.1 33.1 40 43 A P T 3 S+ 0 0 28 0, 0.0 27,-0.1 0, 0.0 -1,-0.1 0.833 80.7 53.4 -67.0 -27.1 46.6 -15.6 34.6 41 44 A L T > S+ 0 0 0 25,-1.9 3,-2.0 -6,-0.2 2,-0.2 0.146 76.2 144.1 -92.2 17.0 44.0 -18.3 35.4 42 45 A K T < S+ 0 0 157 -3,-1.4 26,-0.2 24,-0.3 25,-0.1 -0.432 71.8 17.4 -58.5 117.9 46.7 -20.3 37.2 43 46 A G T 3 S+ 0 0 32 24,-1.3 -1,-0.3 1,-0.4 2,-0.2 0.206 91.6 126.0 105.0 -19.1 44.8 -22.0 40.1 44 47 A A < - 0 0 0 -3,-2.0 25,-2.1 23,-0.3 2,-0.6 -0.510 46.5-156.1 -75.3 145.8 41.3 -21.6 38.9 45 48 A R E -b 69 0B 45 23,-0.2 77,-1.7 -2,-0.2 78,-1.1 -0.917 20.9-163.2-123.0 91.6 39.2 -24.8 38.6 46 49 A I E -bc 70 123B 0 23,-3.5 25,-2.2 -2,-0.6 2,-0.6 -0.725 14.0-161.5 -87.5 126.5 36.6 -23.8 36.0 47 50 A A E -bc 71 124B 0 76,-2.3 78,-2.3 -2,-0.5 2,-0.4 -0.922 18.4-164.4-102.6 119.9 33.4 -25.8 35.6 48 51 A G E -bc 72 125B 0 23,-2.8 25,-0.7 -2,-0.6 2,-0.4 -0.916 18.8-176.0-113.3 139.9 32.0 -24.9 32.2 49 52 A C E +bc 73 126B 0 76,-2.3 78,-0.9 -2,-0.4 2,-0.3 -0.930 38.4 121.7-130.1 100.8 28.5 -25.6 31.0 50 53 A L S S- 0 0 1 23,-2.7 23,-0.2 -2,-0.4 3,-0.1 -0.899 72.5 -73.4-167.1 135.6 28.2 -24.6 27.3 51 54 A H - 0 0 57 -2,-0.3 2,-1.1 23,-0.2 23,-0.1 0.079 50.8-126.1 -29.7 123.9 27.4 -26.3 24.0 52 55 A M + 0 0 0 24,-0.2 29,-3.2 4,-0.1 33,-0.3 -0.717 54.5 140.4 -87.7 98.6 30.3 -28.5 23.2 53 56 A T > - 0 0 23 -2,-1.1 4,-2.5 27,-0.2 5,-0.2 -0.758 68.7 -93.9-128.7 176.1 31.3 -27.4 19.7 54 57 A V H > S+ 0 0 11 -2,-0.2 4,-2.2 1,-0.2 3,-0.3 0.968 127.4 47.6 -55.9 -51.2 34.4 -26.8 17.6 55 58 A E H > S+ 0 0 37 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.821 113.0 48.2 -60.9 -34.3 34.3 -23.1 18.6 56 59 A T H > S+ 0 0 1 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.821 106.6 56.3 -77.8 -29.4 33.8 -24.0 22.3 57 60 A A H X S+ 0 0 0 -4,-2.5 4,-2.5 -3,-0.3 5,-0.3 0.938 104.5 53.4 -66.2 -41.8 36.6 -26.5 22.2 58 61 A V H X S+ 0 0 0 -4,-2.2 4,-1.4 1,-0.2 -2,-0.2 0.948 109.5 49.9 -57.4 -44.5 38.9 -23.7 21.0 59 62 A L H >X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 3,-1.3 0.968 108.0 52.2 -56.9 -55.8 37.6 -21.7 24.0 60 63 A I H 3X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.3 -1,-0.2 0.880 107.8 50.5 -49.4 -49.6 38.3 -24.5 26.5 61 64 A E H 3X S+ 0 0 34 -4,-2.5 4,-2.4 1,-0.2 -1,-0.3 0.794 108.6 54.4 -61.7 -26.5 41.9 -24.9 25.3 62 65 A T H <>S+ 0 0 0 -4,-2.1 5,-1.8 1,-0.2 3,-0.8 0.907 116.9 46.4 -57.3 -43.5 41.2 -21.3 29.3 64 67 A V H ><5S+ 0 0 55 -4,-2.6 3,-1.5 1,-0.2 -2,-0.2 0.867 107.3 56.5 -65.0 -41.6 43.5 -24.4 29.8 65 68 A A H 3<5S+ 0 0 27 -4,-2.4 -26,-0.3 1,-0.3 -1,-0.2 0.545 102.1 59.1 -68.7 -9.7 46.4 -22.6 28.1 66 69 A L T <<5S- 0 0 0 -3,-0.8 -25,-1.9 -4,-0.6 -24,-0.3 0.198 129.1 -89.7-105.7 14.5 46.1 -19.8 30.6 67 70 A G T < 5S+ 0 0 20 -3,-1.5 -24,-1.3 1,-0.3 -23,-0.3 0.545 81.9 139.3 91.4 8.6 46.7 -22.0 33.7 68 71 A A < - 0 0 9 -5,-1.8 2,-0.5 -26,-0.2 -1,-0.3 -0.476 48.5-138.7 -85.9 156.1 43.1 -23.0 34.3 69 72 A E E -b 45 0B 62 -25,-2.1 -23,-3.5 -28,-0.2 2,-0.4 -0.942 32.2-166.6-108.0 135.6 41.8 -26.4 35.3 70 73 A V E -b 46 0B 10 -2,-0.5 2,-0.4 -25,-0.2 -23,-0.2 -0.982 27.3-179.6-140.0 135.3 38.6 -27.2 33.4 71 74 A R E -b 47 0B 36 -25,-2.2 -23,-2.8 -2,-0.4 2,-0.3 -0.947 26.6-166.1-119.9 140.7 35.8 -29.7 33.5 72 75 A W E +bd 48 95B 0 22,-2.7 24,-2.8 -2,-0.4 2,-0.3 -0.890 22.2 163.5-135.3 162.2 33.1 -29.3 30.8 73 76 A S E -b 49 0B 0 -25,-0.7 -23,-2.7 -2,-0.3 24,-0.2 -0.940 39.6 -98.1-162.8 159.5 29.6 -30.3 29.7 74 77 A S - 0 0 0 22,-0.5 -23,-0.2 -2,-0.3 3,-0.1 -0.017 12.8-142.2 -75.9-175.2 27.1 -28.9 27.2 75 78 A C S S+ 0 0 21 1,-0.3 2,-0.3 -26,-0.2 55,-0.1 0.001 88.9 44.6-135.4 18.4 24.1 -26.7 28.0 76 79 A N S > S- 0 0 67 -26,-0.1 4,-0.5 1,-0.0 -1,-0.3 -0.917 80.0-129.2-161.5 139.2 21.8 -28.3 25.4 77 80 A I T 4 S+ 0 0 36 -2,-0.3 23,-2.0 1,-0.1 24,-1.5 0.761 105.8 27.3 -67.1 -26.1 21.3 -32.1 24.8 78 81 A F T 4 S+ 0 0 117 21,-0.3 -1,-0.1 22,-0.2 21,-0.0 0.783 97.9 82.9-104.5 -37.8 21.9 -31.9 21.0 79 82 A S T 4 + 0 0 35 20,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.696 67.4 104.9 -39.2 -33.7 24.2 -28.9 20.5 80 83 A T < - 0 0 1 -4,-0.5 2,-0.8 18,-0.2 -27,-0.2 -0.359 63.7-147.0 -64.0 118.2 27.3 -30.9 21.2 81 84 A Q >> - 0 0 69 -29,-3.2 4,-2.1 -2,-0.2 3,-1.2 -0.796 10.6-149.1 -87.1 112.8 29.4 -31.9 18.2 82 85 A D H 3> S+ 0 0 38 -2,-0.8 4,-3.2 1,-0.3 -75,-0.2 0.783 92.1 53.6 -53.9 -39.8 30.9 -35.3 19.1 83 86 A H H 3> S+ 0 0 23 2,-0.2 4,-1.4 1,-0.2 -69,-0.3 0.809 111.4 49.3 -67.5 -25.4 34.2 -35.0 17.2 84 87 A A H <> S+ 0 0 0 -3,-1.2 4,-1.4 -32,-0.2 -2,-0.2 0.919 113.1 45.1 -77.0 -44.8 34.8 -31.8 19.0 85 88 A A H >X S+ 0 0 0 -4,-2.1 4,-2.4 -33,-0.3 3,-0.5 0.944 110.5 55.9 -61.1 -47.8 34.0 -33.3 22.4 86 89 A A H 3X S+ 0 0 0 -4,-3.2 4,-2.7 1,-0.2 -1,-0.2 0.857 106.9 48.3 -52.4 -45.4 36.1 -36.4 21.5 87 90 A A H 3X S+ 0 0 0 -4,-1.4 4,-1.2 2,-0.2 -1,-0.2 0.781 110.0 52.7 -68.1 -30.7 39.3 -34.2 20.8 88 91 A I H <<>S+ 0 0 0 -4,-1.4 5,-2.2 -3,-0.5 -2,-0.2 0.927 114.4 41.2 -70.9 -44.3 38.8 -32.3 24.1 89 92 A A H ><5S+ 0 0 4 -4,-2.4 3,-1.8 1,-0.2 -2,-0.2 0.901 112.5 56.0 -67.2 -41.2 38.6 -35.6 26.0 90 93 A K H 3<5S+ 0 0 106 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.800 101.7 57.7 -60.5 -31.1 41.5 -36.9 23.9 91 94 A A T 3<5S- 0 0 53 -4,-1.2 -1,-0.3 2,-0.1 -2,-0.2 0.546 128.0 -99.6 -78.8 -5.1 43.6 -33.9 24.9 92 95 A G T < 5S+ 0 0 63 -3,-1.8 -3,-0.2 1,-0.3 -2,-0.2 0.592 80.4 134.5 98.2 12.5 43.1 -35.0 28.6 93 96 A I < - 0 0 14 -5,-2.2 2,-1.2 -6,-0.1 -1,-0.3 -0.804 61.1-118.6 -98.3 132.6 40.3 -32.6 29.4 94 97 A P + 0 0 29 0, 0.0 -22,-2.7 0, 0.0 2,-0.5 -0.586 43.0 169.4 -71.0 92.9 37.3 -34.0 31.4 95 98 A V B -d 72 0B 0 -2,-1.2 -91,-2.6 -24,-0.2 2,-0.8 -0.940 20.3-169.0-111.1 127.9 34.3 -33.4 29.1 96 99 A F E +a 4 0A 0 -24,-2.8 -22,-0.5 -2,-0.5 2,-0.3 -0.753 47.0 109.1-112.7 80.7 31.0 -35.0 29.9 97 100 A A E +a 5 0A 0 -93,-1.6 -91,-0.6 -2,-0.8 2,-0.3 -0.967 28.9 159.3-160.4 143.0 29.0 -34.5 26.7 98 101 A W > - 0 0 32 -2,-0.3 3,-0.6 -93,-0.2 2,-0.2 -0.980 45.8 -90.7-157.7 150.7 27.5 -36.1 23.7 99 102 A K T 3 S+ 0 0 130 -2,-0.3 -21,-0.3 1,-0.2 -22,-0.1 -0.491 105.2 22.3 -68.2 133.6 24.8 -35.3 21.1 100 103 A G T 3 S+ 0 0 41 -23,-2.0 -1,-0.2 -2,-0.2 -22,-0.2 0.826 78.1 173.3 82.5 37.7 21.3 -36.6 22.0 101 104 A E < - 0 0 6 -24,-1.5 2,-0.2 -3,-0.6 -1,-0.2 -0.398 34.2-114.5 -76.1 152.3 21.5 -37.0 25.8 102 105 A T >> - 0 0 50 1,-0.1 4,-1.7 -2,-0.1 3,-0.7 -0.601 32.0-107.8 -81.5 152.2 18.5 -37.9 27.8 103 106 A D H 3> S+ 0 0 120 1,-0.3 4,-1.2 -2,-0.2 -1,-0.1 0.794 122.1 55.0 -48.4 -31.6 17.3 -35.2 30.2 104 107 A E H 3> S+ 0 0 144 1,-0.2 4,-1.6 2,-0.2 -1,-0.3 0.910 104.7 49.4 -70.9 -44.6 18.6 -37.5 33.0 105 108 A E H <> S+ 0 0 69 -3,-0.7 4,-2.6 1,-0.2 -2,-0.2 0.777 103.9 63.6 -66.5 -28.3 22.2 -37.8 31.6 106 109 A Y H X S+ 0 0 30 -4,-1.7 4,-2.2 2,-0.2 -1,-0.2 0.948 102.7 45.1 -61.3 -53.2 22.4 -34.0 31.2 107 110 A L H X S+ 0 0 84 -4,-1.2 4,-2.5 1,-0.2 -2,-0.2 0.946 113.7 52.1 -56.5 -48.8 22.1 -33.3 34.9 108 111 A W H X S+ 0 0 74 -4,-1.6 4,-1.6 1,-0.2 -1,-0.2 0.911 105.8 54.5 -52.0 -50.3 24.6 -36.1 35.6 109 112 A C H X S+ 0 0 0 -4,-2.6 4,-1.0 1,-0.2 3,-0.3 0.909 108.4 48.5 -52.2 -45.4 27.0 -34.5 33.0 110 113 A I H >< S+ 0 0 5 -4,-2.2 3,-1.1 1,-0.2 4,-0.5 0.959 105.5 59.1 -62.1 -45.6 26.9 -31.2 34.9 111 114 A E H >< S+ 0 0 77 -4,-2.5 3,-1.2 1,-0.3 4,-0.3 0.829 98.8 59.4 -51.3 -36.5 27.5 -33.0 38.2 112 115 A Q H >< S+ 0 0 46 -4,-1.6 3,-1.0 -3,-0.3 -1,-0.3 0.875 97.1 59.1 -63.2 -37.3 30.8 -34.4 36.9 113 116 A T T << S+ 0 0 0 -3,-1.1 -1,-0.2 -4,-1.0 -42,-0.2 0.575 88.6 77.8 -71.7 -6.5 32.3 -30.9 36.3 114 117 A L T < S+ 0 0 0 -3,-1.2 7,-2.4 -4,-0.5 2,-0.4 0.652 87.4 55.1 -81.0 -16.9 31.9 -29.9 39.9 115 118 A H E < -H 120 0C 97 -3,-1.0 2,-0.3 -4,-0.3 -1,-0.1 -0.968 58.4-172.4-128.8 134.5 34.9 -31.7 41.5 116 119 A F E > -H 119 0C 23 3,-2.7 3,-1.2 -2,-0.4 -71,-0.0 -0.759 40.7-103.2-114.6 163.8 38.6 -31.6 40.6 117 120 A K T 3 S+ 0 0 224 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.875 124.0 39.0 -53.1 -44.9 41.6 -33.7 41.9 118 121 A D T 3 S- 0 0 88 1,-0.3 -1,-0.3 2,-0.0 -73,-0.0 0.527 133.3 -58.2 -86.0 -6.4 42.8 -30.9 44.1 119 122 A G E < S-H 116 0C 17 -3,-1.2 -3,-2.7 0, 0.0 -1,-0.3 -0.917 70.8 -44.2 153.6-179.1 39.3 -29.8 45.2 120 123 A P E S-H 115 0C 49 0, 0.0 -5,-0.3 0, 0.0 -6,-0.1 -0.226 74.1 -70.6 -75.7 169.1 35.8 -28.6 44.0 121 124 A L - 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