==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-SEP-09 3JTQ . COMPND 2 MOLECULE: GLUTARYL 7-AMINOCEPHALOSPORANIC ACID ACYLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS SP.; . AUTHOR K.J.CHO,J.K.KIM,J.H.LEE,H.J.SHIN,S.S.PARK,K.H.KIM . 676 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25332.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 436 64.5 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 . 123 18.2 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 . 43 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 62 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 166 24.6 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 3 1 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 . 5 3 6 4 4 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 7 A Q 0 0 196 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 126.9 40.9 -56.2 -107.1 2 8 A A - 0 0 74 1,-0.1 3,-0.1 618,-0.0 618,-0.0 -0.457 360.0-105.4 -90.7 154.8 41.1 -56.6 -110.9 3 9 A P - 0 0 63 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.101 53.2 -74.1 -65.4 173.4 39.4 -59.2 -113.1 4 10 A I - 0 0 58 1,-0.1 2,-0.1 213,-0.1 213,-0.1 -0.318 67.8 -78.7 -60.9 155.1 41.3 -62.1 -114.6 5 11 A A - 0 0 98 -3,-0.1 -1,-0.1 1,-0.1 2,-0.0 -0.398 51.8-119.9 -60.8 127.0 43.6 -61.2 -117.6 6 12 A A - 0 0 70 -2,-0.1 2,-0.4 -3,-0.1 -1,-0.1 -0.308 28.3-109.0 -68.7 152.7 41.5 -60.8 -120.8 7 13 A Y - 0 0 76 188,-0.1 191,-0.1 191,-0.0 -1,-0.1 -0.728 22.1-154.6 -91.9 133.7 42.3 -63.1 -123.7 8 14 A K - 0 0 116 -2,-0.4 19,-0.1 189,-0.1 2,-0.1 -0.870 14.7-143.4-107.6 99.2 44.0 -61.7 -126.8 9 15 A P - 0 0 9 0, 0.0 3,-0.1 0, 0.0 17,-0.0 -0.370 16.6-174.0 -59.6 134.7 43.2 -63.8 -129.9 10 16 A R S S+ 0 0 236 1,-0.2 2,-0.3 -2,-0.1 17,-0.1 0.551 72.4 30.5-102.6 -18.2 46.1 -64.2 -132.4 11 17 A S S S- 0 0 61 15,-0.1 2,-0.7 2,-0.1 -1,-0.2 -0.972 83.0-109.9-137.2 157.2 44.0 -66.0 -135.0 12 18 A N + 0 0 27 661,-0.3 661,-2.0 -2,-0.3 2,-0.3 -0.786 57.4 140.8 -83.2 116.3 40.4 -66.2 -136.2 13 19 A E E -AB 25 672A 22 12,-1.9 12,-2.8 -2,-0.7 2,-0.6 -0.994 46.4-138.0-152.7 147.7 38.9 -69.6 -135.1 14 20 A I E -AB 24 671A 0 657,-2.2 657,-2.7 -2,-0.3 2,-0.8 -0.967 16.1-164.1-103.6 117.5 35.8 -71.2 -133.8 15 21 A L E -AB 23 670A 0 8,-2.5 8,-1.3 -2,-0.6 2,-0.3 -0.887 14.5-160.8 -94.9 104.0 36.5 -73.8 -131.1 16 22 A W E -AB 22 669A 7 653,-3.2 652,-3.2 -2,-0.8 653,-1.5 -0.632 5.8-140.4 -84.4 148.4 33.2 -75.8 -130.8 17 23 A D E > - B 0 667A 14 4,-1.7 3,-2.3 -2,-0.3 650,-0.2 -0.394 34.3 -86.5 -99.5-179.8 32.5 -77.8 -127.7 18 24 A G T 3 S+ 0 0 42 648,-0.6 649,-0.1 1,-0.3 -2,-0.0 0.667 128.0 50.8 -61.3 -20.5 30.9 -81.3 -127.2 19 25 A Y T 3 S- 0 0 60 2,-0.1 613,-0.6 612,-0.0 -1,-0.3 0.338 122.5-102.3 -99.7 8.8 27.4 -79.6 -127.1 20 26 A G < + 0 0 5 -3,-2.3 -2,-0.1 1,-0.3 -4,-0.1 0.861 69.5 152.0 76.0 33.6 27.9 -77.7 -130.3 21 27 A V - 0 0 0 -4,-0.1 -4,-1.7 168,-0.1 2,-0.4 -0.913 39.0-137.0 -98.6 118.1 28.6 -74.4 -128.6 22 28 A P E -A 16 0A 0 0, 0.0 170,-1.9 0, 0.0 2,-0.7 -0.621 12.2-162.9 -76.8 124.5 30.8 -72.1 -130.7 23 29 A H E -Ac 15 192A 2 -8,-1.3 -8,-2.5 -2,-0.4 2,-0.6 -0.927 19.7-158.5-102.6 104.0 33.6 -70.2 -129.0 24 30 A I E -Ac 14 193A 0 168,-3.5 170,-2.8 -2,-0.7 2,-0.6 -0.772 9.9-170.4 -96.1 117.4 34.4 -67.5 -131.6 25 31 A Y E +Ac 13 194A 1 -12,-2.8 -12,-1.9 -2,-0.6 2,-0.3 -0.943 9.3 176.4-112.3 117.4 37.8 -65.9 -131.4 26 32 A G - 0 0 0 168,-2.7 -14,-0.1 -2,-0.6 -15,-0.1 -0.892 35.7-139.3-119.3 149.0 38.4 -62.9 -133.7 27 33 A V S S+ 0 0 54 -2,-0.3 2,-0.3 168,-0.2 168,-0.1 0.614 92.6 2.7 -79.5 -13.0 41.4 -60.6 -134.0 28 34 A D S > S- 0 0 76 166,-0.1 4,-1.9 1,-0.1 3,-0.2 -0.926 91.8 -82.6-157.9-179.7 39.0 -57.7 -134.2 29 35 A A H > S+ 0 0 28 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.927 121.2 47.5 -62.6 -53.1 35.3 -56.9 -134.1 30 36 A P H > S+ 0 0 34 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.813 110.7 56.0 -58.7 -30.2 34.2 -57.7 -137.7 31 37 A S H > S+ 0 0 6 2,-0.2 4,-2.7 -3,-0.2 -2,-0.2 0.939 108.6 44.8 -64.5 -51.4 36.1 -61.0 -137.5 32 38 A A H X S+ 0 0 0 -4,-1.9 4,-2.9 1,-0.2 5,-0.2 0.926 113.9 51.0 -60.1 -42.6 34.2 -62.1 -134.4 33 39 A F H X S+ 0 0 2 -4,-2.6 4,-1.8 2,-0.2 -1,-0.2 0.831 110.0 49.6 -63.2 -33.3 30.9 -61.0 -136.0 34 40 A Y H X S+ 0 0 22 -4,-1.6 4,-2.4 -5,-0.2 -2,-0.2 0.957 111.2 48.7 -69.6 -50.2 31.8 -63.0 -139.1 35 41 A G H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 -2,-0.2 0.905 110.8 51.9 -49.3 -48.1 32.6 -66.1 -137.0 36 42 A Y H X S+ 0 0 0 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.873 109.7 49.0 -59.8 -41.7 29.3 -65.5 -135.2 37 43 A G H X S+ 0 0 0 -4,-1.8 4,-1.8 2,-0.2 -1,-0.2 0.886 111.4 49.6 -62.6 -42.0 27.5 -65.4 -138.6 38 44 A W H X S+ 0 0 29 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.970 113.4 46.1 -60.0 -54.7 29.2 -68.6 -139.7 39 45 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.899 111.4 49.9 -57.3 -49.8 28.3 -70.4 -136.5 40 46 A Q H X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 5,-0.3 0.874 111.0 51.4 -60.6 -36.8 24.6 -69.3 -136.5 41 47 A A H X S+ 0 0 2 -4,-1.8 4,-1.7 3,-0.2 -1,-0.2 0.879 111.2 47.6 -67.4 -38.9 24.4 -70.4 -140.1 42 48 A R H < S+ 0 0 72 -4,-2.0 -2,-0.2 2,-0.2 -1,-0.2 0.954 122.1 33.7 -63.2 -52.0 25.8 -73.8 -139.2 43 49 A S H < S+ 0 0 4 -4,-2.7 591,-1.9 1,-0.1 592,-0.9 0.797 143.8 5.5 -78.2 -31.3 23.5 -74.4 -136.2 44 50 A H H >X S+ 0 0 2 -4,-2.9 4,-2.1 -5,-0.3 3,-0.7 0.272 80.8 131.1-141.1 13.6 20.4 -72.6 -137.5 45 51 A G H 3X S+ 0 0 1 -4,-1.7 4,-2.7 -5,-0.3 5,-0.2 0.763 70.9 55.4 -42.4 -47.4 21.0 -71.5 -141.1 46 52 A D H 3> S+ 0 0 20 -5,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.935 114.4 37.6 -58.0 -51.0 17.7 -72.8 -142.6 47 53 A N H <> S+ 0 0 42 -3,-0.7 4,-2.0 2,-0.2 -1,-0.2 0.852 114.7 55.0 -74.2 -34.5 15.4 -71.0 -140.2 48 54 A I H X S+ 0 0 1 -4,-2.1 4,-2.7 2,-0.2 5,-0.2 0.941 110.4 47.2 -57.7 -46.6 17.6 -67.8 -140.2 49 55 A L H X S+ 0 0 1 -4,-2.7 4,-2.4 -5,-0.2 -2,-0.2 0.912 110.9 50.7 -63.7 -45.4 17.4 -67.7 -144.0 50 56 A R H X S+ 0 0 47 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.898 112.4 47.6 -56.5 -41.9 13.6 -68.2 -144.0 51 57 A L H X S+ 0 0 1 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.938 111.7 48.2 -69.3 -48.0 13.2 -65.4 -141.4 52 58 A Y H X S+ 0 0 1 -4,-2.7 4,-1.0 2,-0.2 -1,-0.2 0.865 109.4 55.7 -55.2 -40.8 15.4 -62.9 -143.3 53 59 A G H ><>S+ 0 0 0 -4,-2.4 5,-1.9 -5,-0.2 3,-0.7 0.941 109.4 46.1 -57.3 -47.8 13.5 -63.8 -146.4 54 60 A E H ><5S+ 0 0 16 -4,-2.0 3,-1.8 1,-0.2 5,-0.4 0.876 108.3 54.4 -62.1 -41.9 10.3 -62.9 -144.6 55 61 A A H 3<5S+ 0 0 0 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.600 100.0 61.8 -76.8 -12.4 11.7 -59.6 -143.3 56 62 A R T <<5S- 0 0 48 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.468 119.0-115.5 -76.4 -8.6 12.6 -58.6 -146.8 57 63 A G T < 5S+ 0 0 7 -3,-1.8 3,-0.2 -5,-0.1 -3,-0.2 0.660 89.5 115.4 75.9 18.9 8.9 -58.8 -147.5 58 64 A K >< + 0 0 63 -5,-1.9 4,-3.3 -6,-0.2 5,-0.3 0.256 33.7 106.6-106.4 8.9 9.6 -61.7 -149.9 59 65 A G H > S+ 0 0 0 -5,-0.4 4,-2.6 -6,-0.3 5,-0.3 0.946 83.3 44.1 -49.8 -57.6 7.8 -64.4 -147.8 60 66 A A H > S+ 0 0 0 7,-0.5 202,-2.5 1,-0.2 4,-1.7 0.856 117.7 46.9 -57.7 -35.9 4.9 -64.6 -150.3 61 67 A E H 4 S+ 0 0 28 200,-0.3 -2,-0.2 2,-0.2 -1,-0.2 0.898 118.9 37.0 -78.0 -43.4 7.2 -64.6 -153.2 62 68 A Y H < S+ 0 0 16 -4,-3.3 -2,-0.2 1,-0.1 -1,-0.2 0.829 137.0 15.7 -72.2 -33.2 9.7 -67.2 -152.0 63 69 A W H < S- 0 0 21 -4,-2.6 3,-0.4 -5,-0.3 -3,-0.2 0.288 94.2-131.6-138.4 5.6 7.1 -69.4 -150.3 64 70 A G >< - 0 0 4 -4,-1.7 3,-2.7 -5,-0.3 4,-0.3 -0.010 60.6 -12.6 74.6-172.7 3.5 -68.7 -151.4 65 71 A P G > S+ 0 0 81 0, 0.0 3,-1.1 0, 0.0 4,-0.5 0.598 120.3 66.1 -40.3 -36.6 0.1 -68.2 -149.5 66 72 A D G 3 S+ 0 0 151 -3,-0.4 4,-0.2 1,-0.2 -2,-0.1 0.656 111.4 37.4 -63.4 -15.7 1.3 -69.4 -146.1 67 73 A Y G <> S+ 0 0 54 -3,-2.7 4,-1.6 -8,-0.1 -7,-0.5 0.419 91.4 95.0-115.9 -0.4 3.6 -66.4 -145.9 68 74 A E H <> S+ 0 0 23 -3,-1.1 4,-2.5 -4,-0.3 -8,-0.1 0.803 81.0 50.9 -65.2 -37.5 1.3 -63.9 -147.6 69 75 A Q H > S+ 0 0 130 -4,-0.5 4,-2.3 2,-0.2 -1,-0.2 0.884 110.0 48.4 -80.2 -35.4 -0.2 -62.3 -144.6 70 76 A T H > S+ 0 0 40 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.857 111.6 53.8 -65.2 -32.7 3.0 -61.6 -142.8 71 77 A T H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 5,-0.3 0.945 109.4 46.0 -62.6 -48.8 4.2 -60.2 -146.2 72 78 A V H X S+ 0 0 25 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.886 112.4 52.7 -61.2 -40.1 1.1 -57.8 -146.2 73 79 A W H X S+ 0 0 6 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.881 113.8 40.9 -61.7 -43.0 1.8 -56.9 -142.6 74 80 A L H <>S+ 0 0 0 -4,-2.0 5,-2.7 2,-0.2 -2,-0.2 0.814 116.7 46.6 -82.3 -32.7 5.4 -56.0 -143.1 75 81 A L H ><5S+ 0 0 36 -4,-2.3 3,-3.0 3,-0.2 -2,-0.2 0.967 110.3 53.0 -71.7 -52.1 5.0 -54.2 -146.4 76 82 A T H 3<5S+ 0 0 11 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.791 113.0 45.7 -49.8 -30.6 2.0 -52.2 -145.2 77 83 A N T 3<5S- 0 0 6 -4,-0.8 -1,-0.3 -5,-0.2 -2,-0.2 0.228 111.6-124.8-101.1 9.4 4.2 -51.1 -142.2 78 84 A G T <>5 + 0 0 27 -3,-3.0 4,-2.6 1,-0.1 -3,-0.2 0.727 56.9 151.3 57.4 31.9 7.2 -50.3 -144.5 79 85 A V H >< + 0 0 0 -5,-2.7 4,-2.0 2,-0.2 5,-0.2 0.895 64.2 48.4 -62.6 -51.6 9.5 -52.6 -142.6 80 86 A P H > S+ 0 0 24 0, 0.0 4,-1.6 0, 0.0 -1,-0.2 0.943 116.7 44.3 -59.6 -45.4 11.9 -53.7 -145.4 81 87 A E H > S+ 0 0 119 1,-0.2 4,-2.2 2,-0.2 3,-0.3 0.940 111.0 52.9 -61.2 -46.6 12.4 -50.1 -146.6 82 88 A R H X S+ 0 0 39 -4,-2.6 4,-2.9 1,-0.2 -1,-0.2 0.853 106.0 56.2 -57.3 -32.9 12.8 -48.8 -143.0 83 89 A A H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -1,-0.2 0.874 103.7 51.6 -69.0 -39.4 15.5 -51.4 -142.5 84 90 A Q H X S+ 0 0 105 -4,-1.6 4,-2.5 -3,-0.3 -1,-0.2 0.930 112.0 48.7 -57.4 -43.1 17.5 -50.1 -145.4 85 91 A Q H X S+ 0 0 93 -4,-2.2 4,-2.2 1,-0.2 -2,-0.2 0.960 112.2 46.8 -61.2 -47.7 17.2 -46.7 -143.8 86 92 A W H < S+ 0 0 10 -4,-2.9 -1,-0.2 1,-0.2 4,-0.2 0.828 110.4 53.9 -66.4 -32.1 18.3 -47.9 -140.4 87 93 A Y H >< S+ 0 0 51 -4,-2.1 3,-1.5 2,-0.2 -1,-0.2 0.944 110.3 45.0 -66.9 -50.4 21.2 -49.8 -142.0 88 94 A A H 3< S+ 0 0 70 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.863 111.1 57.3 -57.8 -32.1 22.4 -46.6 -143.7 89 95 A Q T 3< S+ 0 0 105 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.451 84.3 109.4 -81.6 -2.2 21.9 -44.8 -140.4 90 96 A Q S < S- 0 0 13 -3,-1.5 213,-0.1 -4,-0.2 -3,-0.0 -0.344 82.1 -97.7 -66.9 155.6 24.2 -47.2 -138.5 91 97 A S > - 0 0 40 1,-0.1 4,-3.2 -2,-0.0 5,-0.3 -0.490 36.3-113.1 -66.1 144.7 27.5 -46.0 -137.2 92 98 A P H > S+ 0 0 92 0, 0.0 4,-1.6 0, 0.0 -1,-0.1 0.860 114.9 47.8 -45.9 -45.4 30.4 -46.9 -139.6 93 99 A D H > S+ 0 0 132 2,-0.2 4,-1.3 1,-0.2 5,-0.1 0.929 116.2 41.3 -66.2 -47.2 32.0 -49.3 -137.1 94 100 A F H > S+ 0 0 2 2,-0.2 4,-2.3 1,-0.2 3,-0.2 0.898 111.0 56.0 -70.7 -40.5 28.8 -51.1 -136.2 95 101 A R H X S+ 0 0 59 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.863 106.0 53.6 -55.2 -38.6 27.5 -51.2 -139.8 96 102 A A H X S+ 0 0 39 -4,-1.6 4,-1.6 -5,-0.3 -1,-0.2 0.827 106.0 52.7 -64.2 -37.5 30.9 -53.0 -140.5 97 103 A N H X S+ 0 0 10 -4,-1.3 4,-2.6 -3,-0.2 -2,-0.2 0.909 110.4 48.0 -60.4 -45.2 30.1 -55.5 -137.8 98 104 A L H X S+ 0 0 0 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.890 110.0 50.1 -62.2 -46.0 26.7 -56.2 -139.4 99 105 A D H X S+ 0 0 60 -4,-2.3 4,-2.1 2,-0.2 -1,-0.2 0.863 112.3 50.0 -59.5 -38.0 28.2 -56.6 -142.9 100 106 A A H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.943 108.9 50.0 -66.0 -51.9 30.7 -59.0 -141.4 101 107 A F H X S+ 0 0 0 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.924 113.6 46.6 -48.4 -49.6 27.9 -61.0 -139.6 102 108 A A H X S+ 0 0 2 -4,-2.7 4,-2.3 1,-0.2 24,-0.3 0.900 109.0 54.9 -64.6 -37.7 26.1 -61.2 -142.9 103 109 A A H X S+ 0 0 27 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.812 103.9 56.4 -62.2 -35.9 29.3 -62.2 -144.7 104 110 A G H X S+ 0 0 0 -4,-2.2 4,-2.6 -3,-0.2 -1,-0.2 0.907 107.5 47.4 -59.8 -46.5 29.7 -65.1 -142.2 105 111 A I H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.957 113.7 47.0 -59.3 -53.8 26.3 -66.5 -143.1 106 112 A N H X S+ 0 0 41 -4,-2.3 4,-1.8 1,-0.2 -2,-0.2 0.866 113.3 49.8 -56.2 -42.8 27.0 -66.2 -146.9 107 113 A A H X S+ 0 0 24 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.888 109.5 49.6 -67.2 -44.4 30.4 -67.8 -146.5 108 114 A Y H X S+ 0 0 7 -4,-2.6 4,-1.6 1,-0.2 -2,-0.2 0.961 113.9 47.0 -57.1 -50.2 29.1 -70.7 -144.4 109 115 A A H < S+ 0 0 8 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.818 113.1 48.4 -60.5 -35.0 26.4 -71.3 -147.1 110 116 A Q H < S+ 0 0 150 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.885 115.9 43.0 -75.1 -40.6 28.9 -71.0 -149.9 111 117 A Q H < S+ 0 0 131 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.662 127.3 31.6 -75.4 -19.8 31.4 -73.4 -148.3 112 118 A N >< + 0 0 39 -4,-1.6 3,-1.2 -5,-0.2 4,-0.2 -0.437 63.7 155.5-137.8 60.8 28.6 -75.9 -147.2 113 119 A P G > S+ 0 0 73 0, 0.0 3,-1.3 0, 0.0 -1,-0.1 0.748 71.4 66.2 -65.7 -23.1 25.8 -75.8 -149.8 114 120 A D G 3 S+ 0 0 121 1,-0.3 -5,-0.1 -3,-0.1 -2,-0.0 0.813 95.8 58.5 -64.2 -31.9 24.7 -79.3 -148.9 115 121 A D G < S+ 0 0 62 -3,-1.2 2,-0.6 -6,-0.1 -1,-0.3 0.500 90.0 86.5 -73.7 -7.9 23.7 -78.0 -145.4 116 122 A I S < S- 0 0 4 -3,-1.3 5,-0.1 -4,-0.2 -1,-0.0 -0.878 83.5-120.4-107.9 121.7 21.2 -75.4 -146.9 117 123 A S >> - 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