==== 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 LIGASE 09-AUG-07 2QVY . COMPND 2 MOLECULE: 4-CHLOROBENZOATE COA LIGASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ALCALIGENES SP.; . AUTHOR R.WU,A.S.REGER,J.CAO,A.M.GULICK,D.DUNAWAY-MARIANO . 499 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21338.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 347 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 43 8.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 1 0.2 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 . 45 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 47 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 116 23.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 1 1 1 1 2 1 3 2 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 2 1 5 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 0 PARALLEL BRIDGES PER LADDER . 6 2 1 2 3 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 1 0 2 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 1 X M 0 0 116 0, 0.0 2,-0.4 0, 0.0 173,-0.1 0.000 360.0 360.0 360.0 152.6 15.6 -29.9 -15.3 2 2 X Q - 0 0 33 171,-0.1 175,-0.4 172,-0.1 2,-0.1 -0.938 360.0-155.7-124.2 114.5 15.4 -33.1 -17.4 3 3 X T > - 0 0 11 -2,-0.4 4,-2.9 173,-0.1 5,-0.1 -0.348 29.5-105.7 -77.8 170.4 11.8 -34.2 -17.7 4 4 X V H > S+ 0 0 1 2,-0.2 4,-2.5 1,-0.2 5,-0.3 0.973 123.4 50.6 -52.8 -58.1 10.6 -37.8 -18.5 5 5 X N H > S+ 0 0 2 1,-0.3 4,-2.3 2,-0.2 -1,-0.2 0.911 112.1 46.7 -49.4 -48.2 9.8 -36.7 -22.0 6 6 X E H > S+ 0 0 44 1,-0.2 4,-2.7 2,-0.2 5,-0.3 0.910 109.3 53.4 -63.4 -40.7 13.2 -35.2 -22.4 7 7 X M H X S+ 0 0 9 -4,-2.9 4,-1.8 1,-0.2 -1,-0.2 0.956 114.3 42.4 -59.4 -45.6 15.0 -38.2 -21.0 8 8 X L H X S+ 0 0 5 -4,-2.5 4,-2.3 1,-0.2 -1,-0.2 0.799 114.3 50.2 -71.3 -33.0 13.2 -40.5 -23.5 9 9 X R H X S+ 0 0 98 -4,-2.3 4,-1.8 -5,-0.3 5,-0.2 0.927 108.6 50.3 -71.1 -47.3 13.5 -38.2 -26.5 10 10 X R H X S+ 0 0 88 -4,-2.7 4,-1.1 2,-0.2 -2,-0.2 0.912 110.6 52.8 -59.2 -40.9 17.3 -37.6 -26.0 11 11 X A H >X S+ 0 0 0 -4,-1.8 4,-2.3 -5,-0.3 3,-1.8 0.972 103.5 55.8 -53.8 -61.3 17.6 -41.4 -25.8 12 12 X A H 3< S+ 0 0 14 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.833 108.8 48.5 -35.1 -46.4 15.7 -41.8 -29.1 13 13 X T H 3< S+ 0 0 90 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.697 113.2 47.2 -75.8 -22.4 18.3 -39.5 -30.8 14 14 X R H << S+ 0 0 96 -3,-1.8 -2,-0.2 -4,-1.1 -1,-0.2 0.776 131.5 15.0 -87.0 -26.1 21.1 -41.5 -29.3 15 15 X A >< + 0 0 0 -4,-2.3 3,-2.0 -5,-0.1 17,-0.6 -0.238 67.4 157.4-145.8 54.7 19.8 -45.0 -30.2 16 16 X P T 3 S+ 0 0 50 0, 0.0 17,-3.3 0, 0.0 18,-0.5 0.851 80.6 39.1 -57.1 -40.0 17.0 -44.8 -32.8 17 17 X D T 3 S+ 0 0 137 15,-0.2 2,-0.2 14,-0.2 -5,-0.0 0.327 92.7 104.2 -98.0 9.6 17.4 -48.3 -34.1 18 18 X H S < S- 0 0 43 -3,-2.0 14,-2.3 -6,-0.1 2,-0.4 -0.600 84.3 -93.0 -84.9 153.5 18.1 -50.0 -30.8 19 19 X C E +A 31 0A 24 12,-0.3 12,-0.3 -2,-0.2 3,-0.1 -0.505 46.5 166.2 -71.9 122.8 15.3 -52.1 -29.1 20 20 X A E + 0 0 0 10,-3.1 203,-3.9 -2,-0.4 2,-0.4 0.902 66.3 27.6 -97.5 -64.3 13.2 -50.1 -26.5 21 21 X L E -Ab 30 223A 0 9,-1.3 9,-3.0 201,-0.2 2,-0.4 -0.872 61.9-178.8-103.3 137.6 10.2 -52.4 -25.9 22 22 X A E -Ab 29 224A 0 201,-2.0 203,-2.8 -2,-0.4 7,-0.2 -0.975 13.4-177.5-136.0 120.6 10.1 -56.1 -26.1 23 23 X V E > -A 28 0A 3 5,-2.4 5,-3.0 -2,-0.4 203,-0.1 -0.901 11.4-178.9-106.0 93.1 7.0 -58.2 -25.5 24 24 X P T > 5S+ 0 0 33 0, 0.0 3,-1.1 0, 0.0 -1,-0.1 0.839 77.0 58.0 -65.2 -34.0 8.6 -61.7 -26.0 25 25 X A T 3 5S+ 0 0 91 200,-0.3 201,-0.0 1,-0.3 -2,-0.0 0.942 113.7 38.2 -56.5 -47.9 5.3 -63.6 -25.4 26 26 X R T 3 5S- 0 0 142 2,-0.1 -1,-0.3 -3,-0.1 3,-0.1 0.255 112.8-121.1 -88.9 10.5 3.6 -61.7 -28.3 27 27 X G T < 5 + 0 0 66 -3,-1.1 2,-0.4 1,-0.2 -2,-0.1 0.915 64.5 145.6 47.2 50.7 6.8 -61.9 -30.3 28 28 X L E < +A 23 0A 40 -5,-3.0 -5,-2.4 2,-0.0 2,-0.4 -0.962 24.2 172.3-120.9 135.3 6.9 -58.1 -30.5 29 29 X R E -A 22 0A 121 -2,-0.4 2,-0.4 -7,-0.2 -7,-0.2 -0.998 7.6-171.2-135.8 137.6 9.9 -55.6 -30.5 30 30 X L E -A 21 0A 10 -9,-3.0 -10,-3.1 -2,-0.4 -9,-1.3 -0.996 16.5-138.5-124.4 136.9 10.1 -51.9 -31.0 31 31 X T E > -A 19 0A 25 -2,-0.4 4,-2.4 -12,-0.3 -12,-0.3 -0.274 35.3-102.1 -65.8 169.2 13.2 -49.8 -31.4 32 32 X H H > S+ 0 0 6 -14,-2.3 4,-1.9 -17,-0.6 -15,-0.2 0.855 124.7 51.5 -61.1 -38.6 13.5 -46.4 -29.7 33 33 X A H > S+ 0 0 39 -17,-3.3 4,-2.0 -18,-0.3 3,-0.5 0.978 111.5 46.0 -62.7 -54.0 12.8 -44.7 -33.1 34 34 X E H > S+ 0 0 82 -18,-0.5 4,-1.6 1,-0.2 -2,-0.2 0.885 110.9 53.5 -59.0 -39.9 9.7 -46.8 -33.6 35 35 X L H X S+ 0 0 5 -4,-2.4 4,-1.3 1,-0.2 -1,-0.2 0.807 106.0 52.8 -69.9 -29.1 8.5 -46.2 -30.0 36 36 X R H >X S+ 0 0 24 -4,-1.9 4,-3.1 -3,-0.5 3,-0.6 0.970 104.5 55.5 -65.3 -49.4 8.8 -42.4 -30.4 37 37 X A H 3X S+ 0 0 51 -4,-2.0 4,-2.6 1,-0.3 -2,-0.2 0.900 109.6 46.8 -48.9 -47.9 6.6 -42.5 -33.5 38 38 X R H 3X S+ 0 0 57 -4,-1.6 4,-1.7 2,-0.2 -1,-0.3 0.812 111.8 49.4 -69.3 -29.9 3.8 -44.2 -31.7 39 39 X V H < S+ 0 0 50 -4,-1.7 3,-1.9 -5,-0.3 4,-0.5 0.864 108.0 55.2 -72.6 -39.8 -5.0 -33.8 -28.6 48 48 X A H 3< S+ 0 0 50 -4,-3.0 -2,-0.2 1,-0.3 -1,-0.2 0.836 102.8 56.7 -62.2 -32.4 -7.1 -34.0 -31.8 49 49 X D T 3< S- 0 0 57 -4,-1.0 -1,-0.3 -5,-0.1 -2,-0.2 0.219 129.1 -98.7 -81.3 10.6 -10.0 -35.3 -29.6 50 50 X G S < S+ 0 0 40 -3,-1.9 2,-0.2 1,-0.2 -2,-0.2 0.937 73.2 135.8 73.5 98.0 -9.6 -32.1 -27.5 51 51 X L - 0 0 2 -4,-0.5 -1,-0.2 26,-0.0 28,-0.1 -0.720 32.4-159.8 176.6 112.2 -7.6 -32.6 -24.4 52 52 X R > - 0 0 101 1,-0.2 3,-0.9 -2,-0.2 26,-0.1 -0.309 27.8 -68.7-108.6 174.9 -5.0 -30.2 -23.3 53 53 X P T 3 S+ 0 0 51 0, 0.0 26,-0.3 0, 0.0 -1,-0.2 -0.158 112.1 23.9 -54.8 161.8 -1.9 -29.9 -21.0 54 54 X Q T 3 S+ 0 0 75 24,-2.3 2,-0.3 1,-0.2 25,-0.2 0.248 88.4 128.5 61.3 -8.3 -2.3 -30.1 -17.2 55 55 X Q < - 0 0 50 -3,-0.9 25,-1.9 1,-0.1 2,-0.4 -0.626 61.7-122.3 -75.6 130.3 -5.6 -32.0 -17.5 56 56 X R E -i 80 0B 61 45,-0.4 47,-1.4 -2,-0.3 48,-1.1 -0.628 28.4-174.3 -79.1 125.5 -5.6 -35.2 -15.4 57 57 X V E -ij 81 104B 0 23,-1.4 25,-2.7 -2,-0.4 2,-0.3 -0.986 18.4-134.8-118.1 129.3 -6.2 -38.5 -17.2 58 58 X A E -ij 82 105B 0 46,-2.6 48,-2.9 -2,-0.4 2,-0.5 -0.585 11.6-157.3 -82.2 141.2 -6.7 -41.8 -15.3 59 59 X V E +ij 83 106B 5 23,-2.5 25,-2.9 -2,-0.3 2,-0.5 -0.958 15.6 172.0-122.2 117.0 -4.9 -45.0 -16.4 60 60 X V E +ij 84 107B 4 46,-2.5 48,-2.1 -2,-0.5 25,-0.1 -0.914 33.0 117.1-123.6 96.2 -6.4 -48.3 -15.3 61 61 X A - 0 0 10 23,-0.6 2,-0.1 -2,-0.5 143,-0.1 -0.974 59.6-116.4-156.9 150.1 -4.5 -51.2 -17.0 62 62 X P - 0 0 67 0, 0.0 5,-0.2 0, 0.0 165,-0.1 -0.451 64.3 -64.6 -77.0 164.6 -2.3 -54.2 -16.3 63 63 X N S S+ 0 0 16 163,-0.2 2,-0.3 -2,-0.1 3,-0.1 -0.291 75.5 137.5 -57.5 127.3 1.3 -54.1 -17.7 64 64 X S > - 0 0 15 1,-0.1 4,-2.0 -3,-0.1 3,-0.4 -0.967 65.4-108.9-163.9 153.8 1.5 -54.1 -21.5 65 65 X A H > S+ 0 0 3 -2,-0.3 4,-2.2 1,-0.2 5,-0.1 0.867 118.1 59.2 -52.2 -32.2 3.4 -52.5 -24.4 66 66 X D H > S+ 0 0 28 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.911 104.2 45.3 -67.7 -44.2 0.1 -50.7 -25.1 67 67 X V H > S+ 0 0 4 -3,-0.4 4,-3.0 2,-0.2 5,-0.3 0.863 108.6 58.1 -69.5 -36.1 -0.3 -49.0 -21.8 68 68 X V H X S+ 0 0 1 -4,-2.0 4,-2.3 1,-0.2 5,-0.3 0.959 110.2 44.1 -54.5 -50.3 3.4 -47.9 -21.9 69 69 X I H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.932 113.2 52.0 -57.9 -46.4 2.6 -46.1 -25.2 70 70 X A H X S+ 0 0 1 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.919 112.0 44.3 -56.5 -50.0 -0.6 -44.7 -23.7 71 71 X I H X S+ 0 0 2 -4,-3.0 4,-2.2 2,-0.2 5,-0.2 0.940 115.6 46.3 -64.3 -51.5 1.1 -43.2 -20.6 72 72 X L H X S+ 0 0 2 -4,-2.3 4,-2.8 -5,-0.3 5,-0.2 0.914 110.8 54.1 -58.6 -41.1 4.1 -41.8 -22.5 73 73 X A H X S+ 0 0 0 -4,-2.7 4,-1.8 -5,-0.3 -1,-0.2 0.885 107.5 50.2 -64.7 -36.0 1.8 -40.3 -25.1 74 74 X L H X>S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-1.7 0.926 112.7 46.0 -67.2 -42.2 -0.3 -38.6 -22.5 75 75 X H H <5S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.879 110.6 53.2 -67.7 -37.9 2.8 -37.1 -20.8 76 76 X R H <5S+ 0 0 11 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.838 109.9 49.1 -63.0 -36.6 4.2 -36.1 -24.3 77 77 X L H <5S- 0 0 3 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.935 121.7-111.1 -65.3 -48.1 0.9 -34.3 -24.9 78 78 X G T <5S+ 0 0 9 -4,-2.5 -24,-2.3 1,-0.4 -3,-0.2 0.227 71.4 136.6 129.2 -7.0 1.1 -32.6 -21.5 79 79 X A < - 0 0 1 -5,-1.7 -1,-0.4 -26,-0.3 -23,-0.2 -0.379 56.9-122.5 -67.6 151.5 -1.7 -34.4 -19.7 80 80 X V E -i 56 0B 3 -25,-1.9 -23,-1.4 -3,-0.1 76,-0.2 -0.838 25.7-143.7-103.3 101.4 -1.0 -35.5 -16.2 81 81 X P E -i 57 0B 0 0, 0.0 76,-2.5 0, 0.0 2,-0.7 -0.462 8.2-159.0 -73.6 138.0 -1.5 -39.2 -15.9 82 82 X A E -ik 58 157B 0 -25,-2.7 -23,-2.5 74,-0.2 2,-0.4 -0.929 17.3-151.8-107.9 102.4 -2.9 -40.6 -12.7 83 83 X L E -i 59 0B 4 74,-2.4 2,-0.4 -2,-0.7 76,-0.3 -0.619 14.4-168.3 -84.3 131.3 -1.9 -44.3 -12.7 84 84 X L E -i 60 0B 0 -25,-2.9 -23,-0.6 -2,-0.4 120,-0.1 -0.920 27.3-107.4-126.1 143.4 -4.2 -46.7 -10.8 85 85 X N > - 0 0 27 -2,-0.4 3,-1.5 1,-0.1 -25,-0.0 -0.514 21.9-147.6 -63.5 123.3 -4.0 -50.3 -9.6 86 86 X P T 3 S+ 0 0 44 0, 0.0 -1,-0.1 0, 0.0 7,-0.1 0.631 94.1 66.7 -70.7 -10.9 -6.3 -52.5 -11.8 87 87 X R T 3 S+ 0 0 99 2,-0.1 3,-0.1 401,-0.0 -2,-0.1 0.482 76.5 113.9 -87.5 1.6 -7.0 -54.8 -8.8 88 88 X L S < S- 0 0 17 -3,-1.5 2,-0.1 1,-0.1 -4,-0.0 -0.324 81.8 -91.9 -64.9 152.5 -8.9 -52.0 -7.0 89 89 X K > - 0 0 85 1,-0.1 4,-2.3 4,-0.0 5,-0.3 -0.393 30.4-120.0 -64.6 141.4 -12.7 -52.5 -6.6 90 90 X S H > S+ 0 0 45 1,-0.2 4,-2.4 2,-0.2 5,-0.3 0.948 117.3 50.4 -40.8 -63.1 -14.9 -51.1 -9.4 91 91 X A H > S+ 0 0 77 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.917 110.4 50.5 -33.1 -59.9 -16.6 -48.9 -6.8 92 92 X E H > S+ 0 0 58 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.866 110.7 46.2 -57.5 -45.6 -13.2 -47.6 -5.5 93 93 X L H X S+ 0 0 7 -4,-2.3 4,-1.5 -3,-0.2 -1,-0.2 0.905 110.5 53.3 -66.4 -41.9 -11.7 -46.7 -8.9 94 94 X A H X S+ 0 0 7 -4,-2.4 4,-1.4 -5,-0.3 -1,-0.2 0.868 109.4 51.2 -63.7 -32.4 -14.9 -44.9 -9.9 95 95 X E H >X S+ 0 0 81 -4,-2.0 4,-2.5 -5,-0.3 3,-0.8 0.985 106.0 51.1 -69.4 -55.9 -14.6 -42.9 -6.7 96 96 X L H 3X S+ 0 0 9 -4,-2.4 4,-1.8 1,-0.3 -1,-0.2 0.695 110.2 50.7 -55.7 -26.2 -11.0 -41.8 -7.1 97 97 X I H 3<>S+ 0 0 0 -4,-1.5 5,-1.2 2,-0.2 4,-0.3 0.834 110.1 49.6 -80.2 -34.9 -11.7 -40.5 -10.6 98 98 X K H X<5S+ 0 0 39 -4,-1.4 3,-1.8 -3,-0.8 -2,-0.2 0.990 116.8 41.1 -63.7 -57.2 -14.8 -38.6 -9.4 99 99 X R H 3<5S+ 0 0 129 -4,-2.5 -2,-0.2 1,-0.3 -3,-0.2 0.924 108.8 63.1 -49.6 -49.9 -12.7 -37.0 -6.6 100 100 X G T 3<5S- 0 0 2 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.493 96.6-138.0 -60.7 -5.8 -9.8 -36.6 -9.0 101 101 X E T < 5 - 0 0 128 -3,-1.8 2,-0.4 -4,-0.3 -45,-0.4 0.930 39.3-178.7 43.8 57.0 -11.7 -34.2 -11.2 102 102 X M < - 0 0 6 -5,-1.2 -1,-0.2 1,-0.1 -45,-0.2 -0.742 35.5-148.3-100.2 132.3 -10.3 -36.0 -14.2 103 103 X T S S- 0 0 61 -47,-1.4 21,-2.0 -2,-0.4 2,-0.3 0.883 78.4 -9.9 -65.8 -36.8 -10.9 -35.1 -17.9 104 104 X A E -jl 57 124B 1 -48,-1.1 -46,-2.6 19,-0.3 2,-0.3 -0.919 55.6-140.1-150.2 175.8 -10.7 -38.7 -19.1 105 105 X A E -jl 58 125B 0 19,-2.5 21,-3.0 -2,-0.3 2,-0.6 -0.920 7.6-151.9-146.7 119.9 -9.7 -42.3 -18.2 106 106 X V E +jl 59 126B 0 -48,-2.9 -46,-2.5 -2,-0.3 2,-0.3 -0.793 29.8 178.8 -85.6 122.6 -7.9 -44.8 -20.4 107 107 X I E -jl 60 127B 5 19,-2.9 21,-2.3 -2,-0.6 22,-0.3 -0.957 32.0-173.1-130.5 148.2 -9.0 -48.3 -19.2 108 108 X A 0 0 42 -48,-2.1 19,-0.1 -2,-0.3 -2,-0.0 -0.623 360.0 360.0-134.1 73.1 -8.3 -51.9 -20.3 109 109 X V 0 0 71 -2,-0.1 3,-0.7 -48,-0.1 4,-0.3 0.112 360.0 360.0-148.5 360.0 -10.8 -53.8 -18.2 110 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 111 112 X Q 0 0 92 0, 0.0 4,-0.3 0, 0.0 -21,-0.0 0.000 360.0 360.0 360.0-108.7 -17.1 -54.2 -17.3 112 113 X V > + 0 0 25 -3,-0.7 4,-1.1 2,-0.2 5,-0.1 0.397 360.0 77.6 -83.2 -15.2 -15.5 -52.1 -14.5 113 114 X A H > S+ 0 0 13 -4,-0.3 4,-3.0 1,-0.2 3,-0.3 0.870 88.3 52.3 -59.0 -40.7 -16.2 -49.7 -17.4 114 115 X D H > S+ 0 0 113 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.896 99.6 61.1 -61.4 -42.6 -19.8 -49.6 -16.3 115 116 X A H 4 S+ 0 0 31 -4,-0.3 -1,-0.2 1,-0.2 -2,-0.2 0.840 114.8 36.4 -58.9 -31.2 -18.9 -48.8 -12.7 116 117 X I H ><>S+ 0 0 10 -4,-1.1 3,-3.5 -3,-0.3 5,-0.6 0.944 111.4 55.0 -81.3 -56.0 -17.4 -45.6 -14.2 117 118 X F H 3<5S+ 0 0 83 -4,-3.0 -2,-0.2 1,-0.3 3,-0.2 0.756 120.0 39.0 -49.7 -22.0 -19.9 -44.8 -17.0 118 119 X Q T 3<5S+ 0 0 166 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 -0.071 90.4 93.8-119.4 24.4 -22.4 -44.9 -14.2 119 120 X S T < 5S- 0 0 42 -3,-3.5 -2,-0.1 2,-0.1 -1,-0.1 0.625 95.6-117.0 -91.0 -15.0 -20.3 -43.3 -11.4 120 121 X G T 5 + 0 0 81 -4,-0.5 2,-0.3 1,-0.3 -3,-0.1 0.740 68.6 142.9 78.0 26.8 -21.6 -39.8 -12.1 121 122 X S < - 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