==== 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 21-JUL-05 2AE5 . COMPND 2 MOLECULE: GLUTARYL 7-AMINOCEPHALOSPORANIC ACID ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR J.K.KIM,I.S.YANG,H.J.SHIN,K.J.CHO,E.K.RYU,S.H.KIM,S.S.PARK,K . 681 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25828.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 428 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 2.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 119 17.5 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 . 5 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 0.9 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 . 37 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 63 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 164 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.3 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 4 0 1 2 2 1 2 1 0 1 1 0 0 0 1 1 0 0 0 0 0 0 1 0 0 0 RESIDUES PER ALPHA HELIX . 3 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 3 6 5 3 2 1 0 0 1 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 1 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 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 6 A P 0 0 183 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 80.5 39.9 21.3 86.8 2 7 A Q - 0 0 144 1,-0.1 0, 0.0 623,-0.0 0, 0.0 -0.159 360.0-137.3 -52.2 126.3 40.5 17.8 85.2 3 8 A A - 0 0 72 1,-0.1 3,-0.1 622,-0.0 -1,-0.1 -0.489 23.6-103.0 -79.2 154.7 40.7 17.9 81.3 4 9 A P - 0 0 56 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.219 54.2 -74.4 -68.5 167.4 39.0 15.3 79.1 5 10 A I - 0 0 65 1,-0.1 217,-0.1 217,-0.1 0, 0.0 -0.271 66.1 -79.3 -62.1 151.1 41.1 12.6 77.5 6 11 A A - 0 0 94 1,-0.1 2,-0.2 -3,-0.1 -1,-0.1 -0.221 49.8-115.6 -48.6 132.0 43.3 13.6 74.6 7 12 A A - 0 0 70 -3,-0.1 2,-0.3 1,-0.1 -1,-0.1 -0.501 30.5-112.8 -69.4 140.7 41.3 13.8 71.3 8 13 A Y - 0 0 69 -2,-0.2 192,-0.1 192,-0.1 -1,-0.1 -0.609 22.9-148.1 -76.6 139.5 42.3 11.3 68.7 9 14 A K - 0 0 121 -2,-0.3 19,-0.1 193,-0.1 17,-0.0 -0.868 13.1-141.4-114.0 95.0 43.9 12.8 65.5 10 15 A P - 0 0 10 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.336 18.3-176.0 -60.5 134.6 43.1 10.7 62.4 11 16 A R S S+ 0 0 209 1,-0.2 2,-0.3 -2,-0.0 17,-0.1 0.425 71.0 25.7-110.3 -9.1 46.0 10.4 59.9 12 17 A S S S- 0 0 63 2,-0.1 2,-0.5 15,-0.0 -1,-0.2 -0.983 82.9-106.4-148.2 162.0 44.0 8.5 57.3 13 18 A N + 0 0 27 665,-0.3 665,-1.7 -2,-0.3 2,-0.3 -0.773 56.0 134.2 -90.8 123.8 40.4 8.1 56.1 14 19 A E E -AB 26 677A 18 12,-1.7 12,-2.6 -2,-0.5 2,-0.5 -0.976 47.7-131.9-164.2 147.3 38.8 4.8 57.0 15 20 A I E -AB 25 676A 0 661,-2.0 661,-2.5 -2,-0.3 2,-0.7 -0.946 16.6-161.3-101.8 122.5 35.6 3.3 58.5 16 21 A L E -AB 24 675A 0 8,-2.7 8,-1.7 -2,-0.5 2,-0.4 -0.930 14.4-160.0 -99.2 108.9 36.2 0.7 61.2 17 22 A W E -AB 23 674A 4 657,-3.0 656,-2.8 -2,-0.7 657,-1.3 -0.778 4.8-144.9 -90.2 133.3 33.0 -1.3 61.4 18 23 A D > - 0 0 15 4,-2.1 3,-1.5 -2,-0.4 654,-0.1 -0.212 36.7 -85.5 -86.8-175.5 32.3 -3.3 64.5 19 24 A G T 3 S+ 0 0 39 652,-0.4 653,-0.1 1,-0.3 -1,-0.0 0.620 125.8 52.2 -70.6 -14.9 30.6 -6.7 64.8 20 25 A Y T 3 S- 0 0 61 2,-0.1 617,-0.5 616,-0.0 -1,-0.3 0.261 121.8 -99.9-102.5 10.0 27.1 -5.2 64.9 21 26 A G S < S+ 0 0 4 -3,-1.5 -2,-0.1 1,-0.3 174,-0.1 0.782 71.7 149.2 78.2 27.4 27.5 -3.1 61.8 22 27 A V - 0 0 0 174,-0.1 -4,-2.1 172,-0.1 2,-0.4 -0.842 39.9-138.9 -92.2 122.6 28.3 0.2 63.6 23 28 A P E -A 17 0A 0 0, 0.0 174,-1.9 0, 0.0 2,-0.7 -0.687 11.5-161.6 -83.8 131.9 30.6 2.4 61.5 24 29 A H E -Ac 16 197A 1 -8,-1.7 -8,-2.7 -2,-0.4 2,-0.6 -0.941 19.4-160.8-108.5 101.9 33.4 4.3 63.2 25 30 A I E -Ac 15 198A 0 172,-3.4 174,-2.5 -2,-0.7 2,-0.5 -0.805 8.5-170.0 -96.6 115.5 34.2 6.9 60.6 26 31 A Y E +Ac 14 199A 1 -12,-2.6 -12,-1.7 -2,-0.6 2,-0.4 -0.919 9.2 178.7-105.3 127.6 37.7 8.5 60.9 27 32 A G - 0 0 0 172,-3.0 -14,-0.1 -2,-0.5 3,-0.0 -0.986 34.6-139.7-131.6 143.7 38.3 11.5 58.7 28 33 A V S S+ 0 0 56 -2,-0.4 2,-0.3 172,-0.2 172,-0.1 0.605 93.4 5.0 -77.0 -14.7 41.4 13.8 58.3 29 34 A D S > S- 0 0 72 170,-0.1 4,-1.9 1,-0.1 5,-0.2 -0.922 90.8 -88.5-152.5-178.9 39.0 16.8 58.0 30 35 A A H > S+ 0 0 26 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.951 120.6 49.8 -63.6 -52.1 35.2 17.5 58.2 31 36 A P H > S+ 0 0 34 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.882 109.7 53.3 -54.3 -41.4 34.3 16.8 54.5 32 37 A S H > S+ 0 0 6 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.933 110.1 47.0 -58.8 -46.9 36.1 13.5 54.6 33 38 A A H X S+ 0 0 0 -4,-1.9 4,-2.0 1,-0.2 -1,-0.2 0.879 111.6 50.1 -65.7 -37.0 34.2 12.4 57.7 34 39 A F H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.877 110.5 50.7 -68.4 -34.9 30.8 13.5 56.1 35 40 A Y H X S+ 0 0 18 -4,-2.3 4,-2.2 -5,-0.2 -2,-0.2 0.934 110.3 49.1 -64.1 -46.6 31.7 11.5 53.0 36 41 A G H X S+ 0 0 0 -4,-2.4 4,-2.6 1,-0.2 -2,-0.2 0.878 109.9 53.0 -59.0 -38.8 32.5 8.4 55.1 37 42 A Y H X S+ 0 0 0 -4,-2.0 4,-2.2 1,-0.2 -1,-0.2 0.855 109.2 47.9 -69.0 -37.3 29.2 8.9 56.9 38 43 A G H X S+ 0 0 0 -4,-1.9 4,-1.5 2,-0.2 -1,-0.2 0.875 110.8 50.8 -68.6 -40.2 27.3 9.0 53.6 39 44 A W H X S+ 0 0 20 -4,-2.2 4,-2.2 2,-0.2 3,-0.3 0.963 111.9 48.6 -58.4 -52.0 29.1 5.9 52.3 40 45 A A H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 5,-0.2 0.913 110.4 49.4 -56.4 -47.7 28.2 4.1 55.6 41 46 A Q H X S+ 0 0 0 -4,-2.2 4,-2.5 1,-0.2 -1,-0.2 0.824 110.3 52.2 -63.9 -30.6 24.5 5.1 55.5 42 47 A A H X S+ 0 0 2 -4,-1.5 4,-1.6 -3,-0.3 -1,-0.2 0.897 110.8 47.2 -74.2 -38.8 24.3 3.9 51.9 43 48 A R H < S+ 0 0 75 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.929 122.6 34.8 -60.6 -45.3 25.8 0.5 52.9 44 49 A S H < S+ 0 0 4 -4,-2.6 595,-1.7 -5,-0.2 596,-0.9 0.812 142.8 2.7 -85.4 -30.0 23.4 0.2 55.8 45 50 A H H X S+ 0 0 4 -4,-2.5 4,-2.1 -5,-0.2 3,-0.4 0.174 79.8 134.2-146.7 20.0 20.2 1.8 54.5 46 51 A G H X + 0 0 1 -4,-1.6 4,-2.5 1,-0.2 5,-0.2 0.749 69.5 55.1 -54.8 -39.9 20.8 2.9 50.9 47 52 A D H > S+ 0 0 19 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.949 113.9 39.5 -60.9 -51.3 17.6 1.6 49.3 48 53 A N H > S+ 0 0 46 -3,-0.4 4,-2.4 2,-0.2 -2,-0.2 0.867 114.4 54.1 -70.7 -33.9 15.3 3.5 51.7 49 54 A I H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.2 0.943 110.2 47.3 -61.3 -46.3 17.5 6.6 51.7 50 55 A L H X S+ 0 0 2 -4,-2.5 4,-2.4 -5,-0.2 -2,-0.2 0.902 111.8 50.4 -64.1 -39.0 17.4 6.7 47.9 51 56 A R H X S+ 0 0 43 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.947 112.6 46.3 -63.0 -46.8 13.6 6.3 47.9 52 57 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.922 111.6 50.3 -64.9 -45.0 13.1 9.0 50.5 53 58 A Y H X S+ 0 0 0 -4,-2.8 4,-1.3 1,-0.2 -1,-0.2 0.908 108.8 54.5 -56.8 -43.1 15.5 11.5 48.6 54 59 A G H <>S+ 0 0 0 -4,-2.4 5,-2.0 -5,-0.2 3,-0.3 0.909 110.2 45.7 -54.2 -45.1 13.5 10.7 45.5 55 60 A E H ><5S+ 0 0 14 -4,-2.0 3,-1.9 1,-0.2 5,-0.3 0.884 107.6 55.8 -67.7 -40.6 10.3 11.7 47.2 56 61 A A H 3<5S+ 0 0 0 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.705 101.4 60.6 -67.7 -19.0 11.8 14.9 48.7 57 62 A R T 3<5S- 0 0 45 -4,-1.3 -1,-0.3 -3,-0.3 -2,-0.2 0.510 118.3-115.0 -73.6 -11.8 12.6 15.8 45.1 58 63 A G T < 5S+ 0 0 6 -3,-1.9 3,-0.2 -5,-0.1 4,-0.2 0.640 90.2 111.6 79.4 18.0 8.9 15.7 44.3 59 64 A K >< + 0 0 74 -5,-2.0 4,-3.0 -6,-0.2 5,-0.3 0.231 32.4 107.0-111.7 12.8 9.6 12.8 42.0 60 65 A G H > S+ 0 0 0 -5,-0.3 4,-2.8 -6,-0.3 5,-0.5 0.932 84.5 45.6 -54.4 -49.9 7.9 10.0 43.9 61 66 A A H > S+ 0 0 0 7,-0.5 206,-2.5 1,-0.2 4,-1.5 0.880 115.8 47.6 -61.6 -39.9 5.0 9.8 41.5 62 67 A E H 4 S+ 0 0 49 204,-0.3 -2,-0.2 -4,-0.2 -1,-0.2 0.897 119.7 36.6 -70.2 -42.4 7.3 9.9 38.5 63 68 A Y H < S+ 0 0 18 -4,-3.0 -2,-0.2 1,-0.1 -3,-0.2 0.913 136.4 13.6 -78.0 -43.1 9.7 7.2 39.8 64 69 A W H < S- 0 0 23 -4,-2.8 3,-0.4 -5,-0.3 -3,-0.2 0.343 96.8-130.7-126.6 0.6 7.3 4.8 41.5 65 70 A G >< - 0 0 2 -4,-1.5 3,-2.2 -5,-0.5 4,-0.3 -0.270 57.6 -11.5 87.3-164.4 3.7 5.6 40.4 66 71 A P G > S+ 0 0 82 0, 0.0 3,-0.8 0, 0.0 4,-0.5 0.595 119.0 65.7 -53.4 -28.3 0.3 6.2 42.1 67 72 A D G 3 S+ 0 0 150 -3,-0.4 4,-0.2 1,-0.2 -2,-0.1 0.738 110.3 40.0 -65.5 -22.9 1.2 5.0 45.6 68 73 A Y G <> S+ 0 0 52 -3,-2.2 4,-1.7 -8,-0.2 -7,-0.5 0.376 91.7 93.1-104.0 -0.2 3.6 7.9 45.9 69 74 A E H <> S+ 0 0 24 -3,-0.8 4,-2.3 -4,-0.3 5,-0.2 0.836 79.2 54.2 -68.3 -39.6 1.4 10.5 44.2 70 75 A Q H > S+ 0 0 129 -4,-0.5 4,-2.2 1,-0.2 -1,-0.2 0.899 110.0 48.1 -67.8 -38.2 -0.3 12.0 47.2 71 76 A T H > S+ 0 0 36 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.913 109.6 53.8 -65.3 -40.4 3.0 12.8 48.8 72 77 A T H X S+ 0 0 0 -4,-1.7 4,-2.6 1,-0.2 5,-0.3 0.926 110.3 46.4 -57.5 -46.4 4.2 14.3 45.5 73 78 A V H X S+ 0 0 25 -4,-2.3 4,-2.1 2,-0.2 5,-0.2 0.886 112.1 51.5 -64.1 -40.8 1.1 16.7 45.5 74 79 A W H X S+ 0 0 8 -4,-2.2 4,-1.5 1,-0.2 -2,-0.2 0.934 115.6 40.9 -61.2 -46.6 1.7 17.6 49.2 75 80 A L H <>S+ 0 0 0 -4,-2.6 5,-2.5 2,-0.2 -2,-0.2 0.861 116.2 46.5 -76.2 -37.5 5.3 18.4 48.6 76 81 A L H ><5S+ 0 0 36 -4,-2.6 3,-1.2 -5,-0.2 -1,-0.2 0.899 112.2 51.9 -70.1 -39.9 5.0 20.3 45.3 77 82 A T H 3<5S+ 0 0 12 -4,-2.1 -2,-0.2 -5,-0.3 -1,-0.2 0.881 112.6 45.4 -64.8 -35.5 2.0 22.3 46.6 78 83 A N T 3<5S- 0 0 6 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.331 111.8-124.1 -89.3 6.5 4.1 23.3 49.7 79 84 A G T <>5 + 0 0 15 -3,-1.2 4,-2.3 1,-0.1 -3,-0.2 0.741 57.6 150.4 61.9 30.6 7.1 24.1 47.5 80 85 A V H >< + 0 0 0 -5,-2.5 4,-2.1 2,-0.2 5,-0.2 0.908 63.6 48.4 -64.3 -51.2 9.5 21.7 49.3 81 86 A P H > S+ 0 0 24 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.914 116.8 42.9 -57.7 -45.1 11.9 20.7 46.5 82 87 A E H > S+ 0 0 127 1,-0.2 4,-2.1 2,-0.2 3,-0.2 0.937 112.3 53.2 -67.8 -43.8 12.5 24.3 45.3 83 88 A R H X S+ 0 0 41 -4,-2.3 4,-2.9 1,-0.2 -1,-0.2 0.866 105.8 55.2 -59.3 -34.2 12.8 25.6 48.9 84 89 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.878 104.7 52.5 -65.6 -38.4 15.4 23.0 49.5 85 90 A Q H X S+ 0 0 105 -4,-1.5 4,-2.1 -3,-0.2 -2,-0.2 0.931 112.0 47.2 -58.3 -43.6 17.4 24.3 46.5 86 91 A Q H X S+ 0 0 86 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.943 112.1 48.6 -64.2 -46.5 17.1 27.8 48.1 87 92 A W H < S+ 0 0 10 -4,-2.9 4,-0.4 1,-0.2 -1,-0.2 0.863 108.6 54.6 -63.2 -36.5 18.2 26.4 51.6 88 93 A Y H >< S+ 0 0 54 -4,-2.3 3,-1.3 1,-0.2 -1,-0.2 0.950 110.2 45.2 -62.3 -47.8 21.1 24.6 50.0 89 94 A A H 3< S+ 0 0 68 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.844 109.4 58.2 -62.8 -33.0 22.4 27.9 48.4 90 95 A Q T 3< S+ 0 0 108 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.466 83.9 110.9 -79.2 -3.7 21.8 29.7 51.7 91 96 A Q S < S- 0 0 11 -3,-1.3 217,-0.1 -4,-0.4 -3,-0.0 -0.331 81.5 -99.9 -64.4 152.1 24.1 27.3 53.6 92 97 A S > - 0 0 38 1,-0.1 4,-2.7 -2,-0.0 5,-0.2 -0.469 37.8-113.6 -63.9 143.7 27.4 28.6 55.0 93 98 A P H > S+ 0 0 93 0, 0.0 4,-1.6 0, 0.0 5,-0.1 0.887 114.3 48.7 -49.5 -46.2 30.3 27.6 52.6 94 99 A D H > S+ 0 0 135 1,-0.2 4,-0.9 2,-0.2 -3,-0.0 0.904 115.0 44.1 -66.0 -39.0 31.9 25.3 55.1 95 100 A F H > S+ 0 0 2 1,-0.2 4,-1.9 2,-0.2 3,-0.3 0.866 108.4 57.6 -77.5 -32.1 28.7 23.5 55.9 96 101 A R H X S+ 0 0 58 -4,-2.7 4,-2.5 1,-0.2 -1,-0.2 0.857 103.6 54.6 -60.2 -36.0 27.6 23.3 52.3 97 102 A A H X S+ 0 0 40 -4,-1.6 4,-1.5 -5,-0.2 -1,-0.2 0.787 105.0 53.1 -69.9 -29.3 30.9 21.4 51.6 98 103 A N H X S+ 0 0 10 -4,-0.9 4,-2.0 -3,-0.3 -2,-0.2 0.900 110.5 47.6 -69.2 -39.0 30.0 18.9 54.3 99 104 A L H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.907 110.5 50.7 -66.8 -44.9 26.6 18.3 52.6 100 105 A D H X S+ 0 0 61 -4,-2.5 4,-2.1 1,-0.2 -1,-0.2 0.863 111.6 49.3 -57.0 -40.1 28.3 17.9 49.2 101 106 A A H X S+ 0 0 0 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.875 107.7 52.7 -71.2 -37.8 30.7 15.4 50.7 102 107 A F H X S+ 0 0 0 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.916 112.0 46.6 -64.6 -43.8 27.9 13.4 52.4 103 108 A A H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 24,-0.3 0.902 109.9 52.6 -62.7 -42.8 26.1 13.2 49.0 104 109 A A H X S+ 0 0 30 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.817 105.2 57.8 -64.5 -30.5 29.3 12.2 47.2 105 110 A G H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.929 107.8 45.5 -62.3 -45.6 29.7 9.4 49.8 106 111 A I H X S+ 0 0 3 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.940 114.3 47.9 -61.3 -51.6 26.3 8.0 48.9 107 112 A N H X S+ 0 0 42 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.873 112.1 50.0 -56.6 -42.1 27.0 8.2 45.2 108 113 A A H X S+ 0 0 13 -4,-2.3 4,-2.0 2,-0.2 -1,-0.2 0.863 107.7 53.0 -68.6 -37.8 30.5 6.6 45.6 109 114 A Y H X S+ 0 0 5 -4,-2.1 4,-1.6 1,-0.2 -2,-0.2 0.960 113.6 44.0 -59.2 -48.2 29.0 3.7 47.6 110 115 A A H < S+ 0 0 6 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.849 111.2 52.8 -68.0 -37.8 26.5 3.1 44.8 111 116 A Q H < S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.894 117.3 38.6 -61.9 -40.5 29.1 3.5 42.0 112 117 A Q H < S+ 0 0 114 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.663 128.3 32.5 -90.2 -17.1 31.4 0.9 43.7 113 118 A N >< + 0 0 43 -4,-1.6 3,-1.8 -5,-0.2 4,-0.2 -0.431 64.7 153.5-135.7 58.9 28.7 -1.4 44.9 114 119 A P G > S+ 0 0 74 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.752 70.1 67.4 -66.1 -24.9 25.9 -1.3 42.3 115 120 A D G 3 S+ 0 0 125 1,-0.2 -5,-0.1 -3,-0.1 -2,-0.0 0.764 94.9 59.0 -60.3 -26.3 24.8 -4.8 43.2 116 121 A D G < S+ 0 0 58 -3,-1.8 2,-0.5 -6,-0.1 -1,-0.2 0.499 89.0 84.9 -83.1 -5.3 23.7 -3.4 46.6 117 122 A I S < S- 0 0 4 -3,-1.2 5,-0.1 -4,-0.2 -75,-0.0 -0.883 83.2-121.9-105.9 123.2 21.2 -0.9 45.2 118 123 A S >> - 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