==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 16-FEB-12 4DQV . COMPND 2 MOLECULE: PROBABLE PEPTIDE SYNTHETASE NRP (PEPTIDE SYNTHASE . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR A.S.HAQUE,S.PANJIKAR,R.SANKARANARAYANAN . 428 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18630.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 280 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 45 10.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 2.1 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 . 2 0.5 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 . 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 . 32 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 39 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 139 32.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 0 1 2 2 1 1 4 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 1 2 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 PARALLEL BRIDGES PER LADDER . 1 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 4 0 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 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 21 A T 0 0 119 0, 0.0 199,-2.0 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.8 49.8 2.5 107.1 2 22 A E E -A 199 0A 117 197,-0.2 2,-0.4 195,-0.0 197,-0.3 -0.761 360.0-166.6 -97.3 132.5 51.0 3.1 103.6 3 23 A V E -A 198 0A 23 195,-1.8 195,-2.9 -2,-0.4 2,-0.3 -0.967 13.7-150.8-115.0 132.5 49.0 4.4 100.6 4 24 A H E > -A 197 0A 68 -2,-0.4 3,-1.2 193,-0.2 4,-0.4 -0.793 19.8-134.5-107.4 145.6 50.4 4.0 97.1 5 25 A A G > S+ 0 0 5 191,-3.1 3,-2.0 -2,-0.3 -1,-0.1 0.898 106.0 63.8 -57.8 -43.3 49.8 6.2 94.0 6 26 A S G 3 S+ 0 0 90 190,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.643 98.3 56.7 -56.4 -18.9 49.3 3.1 91.9 7 27 A D G < S+ 0 0 74 -3,-1.2 2,-1.1 1,-0.2 -1,-0.3 0.569 85.8 80.2 -91.6 -11.6 46.2 2.2 94.0 8 28 A L < + 0 0 5 -3,-2.0 2,-0.3 -4,-0.4 213,-0.2 -0.493 63.5 149.2 -95.6 63.0 44.4 5.5 93.3 9 29 A T > - 0 0 32 -2,-1.1 3,-1.6 -3,-0.1 4,-0.1 -0.731 55.4-123.6 -98.1 147.3 43.2 4.5 89.9 10 30 A L G >> S+ 0 0 2 -2,-0.3 4,-3.1 1,-0.3 3,-2.5 0.805 105.1 70.5 -63.4 -32.5 39.9 5.8 88.6 11 31 A D G 34 S+ 0 0 112 1,-0.3 -1,-0.3 2,-0.2 5,-0.1 0.716 92.4 61.2 -55.5 -22.3 38.4 2.4 88.0 12 32 A R G <4 S+ 0 0 160 -3,-1.6 -1,-0.3 1,-0.1 -2,-0.2 0.440 120.6 21.7 -84.3 -0.9 38.2 2.1 91.8 13 33 A F T <4 S+ 0 0 60 -3,-2.5 2,-0.4 1,-0.3 -2,-0.2 0.574 117.9 55.3-135.2 -31.3 35.9 5.1 92.0 14 34 A I S < S- 0 0 6 -4,-3.1 -1,-0.3 143,-0.0 141,-0.0 -0.914 83.3-108.3-120.2 140.0 34.2 5.6 88.7 15 35 A D > - 0 0 75 -2,-0.4 4,-1.9 1,-0.1 3,-0.4 -0.312 27.2-119.5 -67.3 148.3 32.1 3.1 86.7 16 36 A A H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.829 109.5 59.7 -59.2 -37.9 33.6 1.6 83.5 17 37 A D H > S+ 0 0 115 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.923 107.6 45.8 -58.6 -47.4 30.8 3.0 81.2 18 38 A T H > S+ 0 0 16 -3,-0.4 4,-2.0 2,-0.2 -1,-0.2 0.926 114.7 48.2 -56.3 -49.2 31.6 6.6 82.3 19 39 A L H X S+ 0 0 17 -4,-1.9 4,-0.9 1,-0.2 -2,-0.2 0.850 112.7 48.0 -65.1 -35.9 35.4 5.9 81.8 20 40 A A H X S+ 0 0 58 -4,-2.8 4,-0.7 2,-0.2 3,-0.4 0.893 111.9 48.1 -70.8 -44.1 34.9 4.3 78.4 21 41 A T H >< S+ 0 0 60 -4,-2.4 3,-0.9 -5,-0.2 -2,-0.2 0.871 104.8 63.1 -62.5 -36.1 32.6 7.1 77.1 22 42 A A H >< S+ 0 0 1 -4,-2.0 3,-1.3 1,-0.3 -1,-0.2 0.805 91.7 61.8 -62.6 -35.9 35.2 9.7 78.4 23 43 A V H 3< S+ 0 0 88 -4,-0.9 -1,-0.3 -3,-0.4 -2,-0.2 0.855 113.9 36.7 -58.5 -34.4 38.0 8.5 76.1 24 44 A N T << S+ 0 0 143 -3,-0.9 -1,-0.3 -4,-0.7 -2,-0.2 0.195 91.5 124.7-104.3 15.7 35.7 9.5 73.1 25 45 A L S < S- 0 0 24 -3,-1.3 2,-0.2 1,-0.1 139,-0.1 -0.500 72.5 -99.3 -77.7 141.7 34.2 12.5 74.7 26 46 A P - 0 0 91 0, 0.0 139,-1.3 0, 0.0 3,-0.1 -0.454 45.7-107.0 -61.7 126.9 34.5 15.9 72.9 27 47 A G - 0 0 50 -2,-0.2 201,-0.1 1,-0.1 200,-0.0 -0.009 58.2 -60.8 -46.7 161.0 37.4 18.0 74.3 28 48 A P - 0 0 35 0, 0.0 -1,-0.1 0, 0.0 138,-0.1 0.039 50.1-108.2 -58.1 152.2 36.4 21.0 76.4 29 49 A S - 0 0 39 136,-0.4 135,-0.0 2,-0.1 0, 0.0 -0.654 20.0-141.5 -73.8 130.1 34.3 23.9 75.2 30 50 A P S S+ 0 0 66 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.446 76.9 96.4 -69.6 1.2 36.6 27.0 74.9 31 51 A E - 0 0 138 277,-0.0 2,-0.9 3,-0.0 3,-0.3 -0.830 65.7-150.8-102.3 128.3 33.7 29.0 76.3 32 52 A L + 0 0 41 -2,-0.5 25,-0.4 273,-0.2 3,-0.1 -0.833 47.1 126.5 -98.2 101.4 33.5 29.9 79.9 33 53 A R + 0 0 151 -2,-0.9 28,-3.0 1,-0.3 2,-0.5 0.707 65.6 37.2-118.6 -46.2 29.9 30.2 80.9 34 54 A T E -b 61 0B 15 92,-0.4 94,-3.5 -3,-0.3 95,-1.0 -0.955 61.7-174.1-123.0 123.8 29.2 27.9 83.9 35 55 A V E -bc 62 129B 0 26,-2.7 28,-3.5 -2,-0.5 2,-0.5 -0.933 12.8-152.4-117.2 135.6 31.6 27.3 86.8 36 56 A L E -bc 63 130B 0 93,-2.7 95,-3.2 -2,-0.4 2,-0.4 -0.944 17.8-171.9-106.0 124.0 31.2 24.9 89.6 37 57 A L E -bc 64 131B 0 26,-3.0 28,-2.1 -2,-0.5 2,-0.3 -0.953 7.4-164.1-118.8 131.5 33.0 25.9 92.8 38 58 A T E S+bc 65 132B 3 93,-2.3 95,-1.1 -2,-0.4 28,-0.1 -0.851 73.2 28.9-106.8 153.2 33.5 23.8 96.0 39 59 A G > + 0 0 15 26,-0.7 3,-1.8 -2,-0.3 6,-0.4 0.685 66.1 152.8 76.0 22.9 34.5 25.2 99.4 40 60 A A T 3 + 0 0 0 25,-0.5 9,-0.2 1,-0.3 26,-0.1 0.752 69.8 56.3 -54.5 -29.3 33.0 28.7 98.7 41 61 A T T 3 S+ 0 0 24 4,-0.1 -1,-0.3 5,-0.1 25,-0.0 0.665 90.8 97.4 -78.1 -18.7 32.5 29.2 102.5 42 62 A G S <> S- 0 0 7 -3,-1.8 4,-2.3 91,-0.1 5,-0.2 -0.075 91.6-100.5 -66.8 169.9 36.2 28.7 103.2 43 63 A F H > S+ 0 0 8 92,-0.6 4,-0.7 2,-0.2 92,-0.1 0.934 124.0 30.7 -58.9 -54.1 38.8 31.4 103.6 44 64 A L H >> S+ 0 0 0 90,-0.3 4,-1.6 1,-0.2 3,-0.7 0.913 115.9 62.0 -69.2 -42.7 40.2 31.1 100.1 45 65 A G H 3> S+ 0 0 0 -6,-0.4 4,-2.2 89,-0.4 -2,-0.2 0.843 97.3 55.7 -53.5 -42.1 36.9 30.0 98.6 46 66 A R H 3X S+ 0 0 45 -4,-2.3 4,-1.3 1,-0.2 -1,-0.3 0.854 108.5 48.8 -62.6 -35.1 35.0 33.2 99.5 47 67 A Y H - 0 0 106 -25,-0.4 3,-1.9 -2,-0.1 -1,-0.1 -0.116 38.4 -88.7 -76.6 178.6 30.3 37.5 81.5 58 78 A V T 3 S+ 0 0 119 1,-0.3 -1,-0.1 3,-0.0 -2,-0.1 0.788 133.3 50.5 -63.2 -27.9 26.7 38.8 82.0 59 79 A D T 3 S+ 0 0 111 2,-0.0 -1,-0.3 41,-0.0 2,-0.0 0.341 94.2 114.2 -88.2 6.1 25.5 35.4 80.7 60 80 A G < - 0 0 4 -3,-1.9 2,-0.3 -7,-0.1 -26,-0.2 -0.282 48.5-159.5 -80.0 160.3 27.8 33.6 83.1 61 81 A R E -b 34 0B 86 -28,-3.0 -26,-2.7 -2,-0.0 2,-0.5 -0.981 7.3-160.6-144.2 130.8 26.8 31.4 86.1 62 82 A L E -bd 35 101B 0 38,-3.0 40,-2.8 -2,-0.3 2,-0.6 -0.946 9.5-162.6-109.2 124.6 28.7 30.3 89.2 63 83 A I E -bd 36 102B 0 -28,-3.5 -26,-3.0 -2,-0.5 2,-0.6 -0.942 4.5-162.8-109.8 118.2 27.4 27.3 91.0 64 84 A C E -bd 37 103B 0 38,-3.0 40,-2.8 -2,-0.6 2,-0.6 -0.908 9.2-149.6-104.9 118.2 28.5 26.9 94.6 65 85 A L E +bd 38 104B 10 -28,-2.1 -26,-0.7 -2,-0.6 -25,-0.5 -0.780 28.0 177.2 -83.0 119.3 28.2 23.4 96.2 66 86 A V E - d 0 105B 4 38,-3.1 40,-1.9 -2,-0.6 2,-0.4 -0.981 34.0-110.2-133.6 137.8 27.7 24.2 100.0 67 87 A R + 0 0 144 -2,-0.4 2,-0.3 38,-0.2 40,-0.1 -0.548 64.5 114.5 -71.3 118.6 27.0 21.8 102.9 68 88 A A S S- 0 0 28 -2,-0.4 3,-0.1 1,-0.1 6,-0.1 -0.975 71.9-105.0-171.4 172.9 23.5 22.3 104.2 69 89 A E S S+ 0 0 176 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.866 101.8 7.6 -78.3 -41.2 20.0 20.7 104.8 70 90 A S S > S- 0 0 46 -3,-0.1 4,-2.2 1,-0.1 -1,-0.1 -0.888 78.3-105.9-134.8 169.0 18.4 22.6 101.9 71 91 A D H > S+ 0 0 78 -2,-0.3 4,-3.1 1,-0.2 5,-0.2 0.833 123.2 55.2 -62.3 -34.1 19.4 24.9 99.1 72 92 A E H > S+ 0 0 92 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.905 108.4 47.4 -61.9 -45.3 17.9 27.8 101.2 73 93 A D H > S+ 0 0 86 2,-0.2 4,-1.8 1,-0.2 -2,-0.2 0.853 114.8 47.3 -66.2 -34.8 20.1 26.8 104.1 74 94 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.932 111.2 49.0 -70.9 -47.2 23.1 26.6 101.7 75 95 A R H X S+ 0 0 117 -4,-3.1 4,-1.9 28,-0.3 -2,-0.2 0.862 114.8 46.5 -61.5 -36.3 22.4 30.0 100.0 76 96 A R H X S+ 0 0 154 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.857 107.0 55.9 -74.0 -39.4 22.0 31.6 103.5 77 97 A R H < S+ 0 0 116 -4,-1.8 4,-0.4 1,-0.2 -2,-0.2 0.872 114.0 42.1 -59.2 -37.4 25.2 30.0 104.9 78 98 A L H >X S+ 0 0 0 -4,-1.8 4,-0.9 2,-0.2 3,-0.6 0.841 109.2 57.0 -79.6 -36.3 27.1 31.6 102.0 79 99 A E H >< S+ 0 0 95 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.905 103.8 55.1 -56.3 -42.5 25.2 34.9 102.2 80 100 A K G >< S+ 0 0 161 -4,-2.3 3,-0.6 1,-0.2 -1,-0.2 0.716 96.0 67.6 -62.7 -24.1 26.4 35.1 105.8 81 101 A T G <4 S+ 0 0 20 -3,-0.6 -1,-0.2 -4,-0.4 -2,-0.2 0.908 106.9 37.9 -63.1 -41.4 30.0 34.7 104.6 82 102 A F G << S+ 0 0 0 -4,-0.9 -1,-0.2 -3,-0.7 -2,-0.2 0.278 102.4 75.2 -96.4 7.7 29.9 38.1 102.9 83 103 A D < + 0 0 105 -3,-0.6 2,-0.4 -4,-0.2 -1,-0.2 -0.482 63.5 128.4-110.4 58.0 27.9 39.7 105.7 84 104 A S S S- 0 0 49 2,-0.3 -1,-0.1 -2,-0.2 5,-0.1 -0.613 89.1 -69.3-122.1 70.7 30.9 40.0 108.1 85 105 A G S S+ 0 0 78 -2,-0.4 -2,-0.1 1,-0.1 161,-0.0 0.648 108.5 99.6 58.4 18.2 31.3 43.5 109.4 86 106 A D > - 0 0 28 -4,-0.1 4,-1.5 1,-0.1 -2,-0.3 -0.935 49.9-170.1-134.1 114.2 32.3 45.0 106.1 87 107 A P H > S+ 0 0 106 0, 0.0 4,-1.9 0, 0.0 -1,-0.1 0.762 90.1 56.4 -69.3 -29.2 29.7 46.8 104.0 88 108 A E H > S+ 0 0 87 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.842 104.8 52.1 -71.7 -35.1 32.0 47.0 101.0 89 109 A L H > S+ 0 0 5 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.913 112.1 46.0 -64.7 -44.1 32.4 43.2 101.0 90 110 A L H X S+ 0 0 52 -4,-1.5 4,-2.5 2,-0.2 5,-0.2 0.869 112.2 51.1 -64.2 -40.2 28.6 42.8 101.0 91 111 A R H X S+ 0 0 103 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.916 112.1 45.1 -67.5 -44.5 28.2 45.4 98.2 92 112 A H H X S+ 0 0 44 -4,-2.3 4,-2.8 2,-0.2 5,-0.2 0.932 115.1 49.3 -62.6 -47.0 30.8 43.8 95.9 93 113 A F H X S+ 0 0 10 -4,-2.2 4,-3.3 -5,-0.2 5,-0.3 0.971 111.7 46.1 -55.2 -61.9 29.3 40.3 96.6 94 114 A K H X S+ 0 0 122 -4,-2.5 4,-1.3 1,-0.2 -1,-0.2 0.884 115.8 47.2 -50.8 -47.6 25.6 41.3 95.9 95 115 A E H < S+ 0 0 111 -4,-2.1 3,-0.3 -5,-0.2 -1,-0.2 0.940 117.9 40.4 -59.2 -50.2 26.6 43.2 92.8 96 116 A L H < S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.816 117.7 48.5 -70.8 -32.5 28.8 40.4 91.4 97 117 A A H >X S+ 0 0 11 -4,-3.3 3,-2.0 -5,-0.2 4,-1.8 0.679 78.8 127.0 -80.1 -20.2 26.4 37.6 92.4 98 118 A A T 3< S- 0 0 56 -4,-1.3 -3,-0.0 -3,-0.3 -4,-0.0 -0.181 93.5 -23.2 -54.4 111.7 23.2 39.3 91.0 99 119 A D T 34 S+ 0 0 151 2,-0.2 -1,-0.3 1,-0.1 -2,-0.1 0.467 132.1 75.8 66.7 5.0 21.4 36.8 88.7 100 120 A R T <4 S+ 0 0 34 -3,-2.0 -38,-3.0 -39,-0.1 2,-0.5 0.437 74.7 89.6-119.8 -5.5 24.7 34.9 88.2 101 121 A L E < +d 62 0B 38 -4,-1.8 2,-0.4 -40,-0.2 -38,-0.2 -0.841 44.2 175.3-105.5 128.8 24.9 33.0 91.5 102 122 A E E -d 63 0B 39 -40,-2.8 -38,-3.0 -2,-0.5 2,-0.5 -0.999 8.6-167.3-126.1 131.1 23.5 29.6 92.3 103 123 A V E -d 64 0B 19 -2,-0.4 2,-0.4 -40,-0.2 -28,-0.3 -0.980 7.6-172.1-121.3 125.0 24.1 27.9 95.6 104 124 A V E -d 65 0B 2 -40,-2.8 -38,-3.1 -2,-0.5 2,-0.3 -0.936 24.2-120.4-122.6 140.1 23.2 24.2 96.0 105 125 A A E +d 66 0B 13 -2,-0.4 2,-0.3 -40,-0.2 -38,-0.2 -0.589 57.7 113.8 -75.4 132.9 23.2 22.0 99.1 106 126 A G - 0 0 7 -40,-1.9 2,-0.5 -2,-0.3 8,-0.3 -0.916 56.7-115.4 173.2 163.1 25.5 19.0 98.9 107 127 A D > - 0 0 41 6,-0.7 3,-0.6 -2,-0.3 8,-0.1 -0.979 16.0-146.6-119.1 123.7 28.6 17.1 100.1 108 128 A K T 3 S+ 0 0 43 -2,-0.5 5,-0.3 1,-0.2 47,-0.2 0.850 99.9 51.3 -50.1 -42.8 31.5 16.6 97.7 109 129 A S T 3 S+ 0 0 30 4,-0.1 -1,-0.2 3,-0.1 3,-0.1 0.772 92.7 87.1 -73.6 -28.2 32.3 13.2 99.3 110 130 A E S X S- 0 0 94 -3,-0.6 3,-1.7 1,-0.1 5,-0.1 -0.381 97.1 -87.7 -69.0 149.6 28.7 11.8 99.0 111 131 A P G > S+ 0 0 90 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.278 117.2 13.4 -57.1 146.8 27.8 10.0 95.7 112 132 A D G > S- 0 0 48 1,-0.3 3,-1.5 2,-0.2 -3,-0.1 0.714 128.2 -79.0 55.5 23.6 26.4 12.5 93.1 113 133 A L G < S- 0 0 0 -3,-1.7 -6,-0.7 -5,-0.3 -1,-0.3 0.697 80.4 -68.7 57.7 21.3 27.8 15.2 95.4 114 134 A G G < S+ 0 0 42 -3,-2.3 2,-0.3 -8,-0.3 -1,-0.3 0.811 104.9 133.2 69.1 31.9 24.7 14.6 97.5 115 135 A L < - 0 0 18 -3,-1.5 -1,-0.3 -4,-0.3 -9,-0.1 -0.748 63.1 -97.6-112.2 158.4 22.6 16.1 94.8 116 136 A D > - 0 0 124 -2,-0.3 4,-2.6 -3,-0.1 5,-0.2 -0.350 39.6-111.3 -63.3 152.4 19.3 15.1 93.1 117 137 A Q H > S+ 0 0 128 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.874 116.5 51.7 -57.1 -42.3 19.7 13.3 89.8 118 138 A P H > S+ 0 0 82 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.897 112.2 45.7 -64.4 -40.5 18.2 16.2 87.7 119 139 A X H > S+ 0 0 34 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.941 114.1 48.9 -63.2 -47.9 20.6 18.7 89.3 120 140 A W H X S+ 0 0 16 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.912 112.4 47.7 -58.8 -46.5 23.6 16.4 88.8 121 141 A R H X S+ 0 0 136 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.910 110.7 52.2 -61.6 -43.7 22.7 15.7 85.2 122 142 A R H X S+ 0 0 89 -4,-2.1 4,-2.4 2,-0.2 5,-0.3 0.883 110.9 48.1 -58.0 -41.7 22.3 19.5 84.6 123 143 A L H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.931 110.3 50.6 -65.9 -47.3 25.8 20.1 86.1 124 144 A A H < S+ 0 0 0 -4,-2.6 40,-0.5 1,-0.2 39,-0.4 0.823 115.7 44.8 -58.6 -32.7 27.3 17.4 84.0 125 145 A E H < S+ 0 0 126 -4,-1.9 -2,-0.2 -5,-0.2 -1,-0.2 0.930 125.5 25.4 -75.3 -44.7 25.7 18.9 80.9 126 146 A T H < S+ 0 0 39 -4,-2.4 -92,-0.4 -5,-0.1 -93,-0.2 0.728 83.8 111.0-100.6 -28.1 26.5 22.6 81.5 127 147 A V < + 0 0 0 -4,-2.4 -92,-0.2 -5,-0.3 3,-0.1 -0.292 33.8 179.5 -65.0 126.6 29.6 23.0 83.7 128 148 A D + 0 0 11 -94,-3.5 2,-0.3 1,-0.3 -93,-0.2 0.554 69.4 18.7 -98.6 -14.2 32.5 24.5 81.8 129 149 A L E -c 35 0B 0 -95,-1.0 -93,-2.7 37,-0.2 2,-0.5 -0.928 61.8-151.5-162.6 131.4 35.0 24.6 84.6 130 150 A I E -ce 36 168B 0 37,-2.5 39,-3.5 -2,-0.3 2,-0.5 -0.940 9.8-167.2-109.3 126.5 35.3 22.9 88.0 131 151 A V E -ce 37 169B 2 -95,-3.2 -93,-2.3 -2,-0.5 2,-0.9 -0.965 2.5-165.1-117.4 112.9 37.2 24.7 90.8 132 152 A D E -ce 38 170B 1 37,-3.2 39,-2.5 -2,-0.5 2,-0.5 -0.822 12.4-174.2-102.1 94.3 38.0 22.5 93.8 133 153 A S - 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0 0 97 -4,-0.5 2,-0.4 -3,-0.3 -3,-0.2 0.922 36.6-169.2 53.5 52.1 48.9 40.0 83.8 401 427 A V < + 0 0 2 -5,-2.2 8,-0.3 -6,-0.2 -1,-0.2 -0.574 43.9 27.8 -73.8 123.8 47.6 38.8 87.2 402 428 A G S S- 0 0 13 -2,-0.4 8,-0.0 1,-0.1 -110,-0.0 -0.524 98.4 -65.6 118.7 175.8 47.2 41.7 89.7 403 429 A S S S+ 0 0 123 -2,-0.2 2,-1.4 1,-0.1 -1,-0.1 0.926 112.0 74.4 -64.9 -49.2 46.5 45.4 89.9 404 430 A D + 0 0 91 1,-0.2 -1,-0.1 3,-0.1 5,-0.1 -0.549 58.4 176.4 -73.6 91.6 49.8 46.5 88.2 405 431 A K S S+ 0 0 107 -2,-1.4 -1,-0.2 1,-0.2 -2,-0.1 0.510 74.6 53.5 -76.8 -7.0 49.0 45.6 84.6 406 432 A D S S+ 0 0 134 1,-0.2 -1,-0.2 -3,-0.0 -2,-0.1 0.867 123.0 21.3 -94.4 -46.0 52.3 47.1 83.3 407 433 A N S S- 0 0 117 2,-0.1 2,-0.3 -7,-0.0 -1,-0.2 -0.644 82.8-174.9-119.6 73.3 54.8 45.2 85.6 408 434 A P + 0 0 9 0, 0.0 2,-0.3 0, 0.0 -8,-0.1 -0.528 20.9 138.3 -76.6 126.9 52.8 42.1 86.7 409 435 A D - 0 0 48 -2,-0.3 -5,-0.1 -8,-0.3 -2,-0.1 -0.951 61.0 -71.8-154.9 169.6 54.6 40.0 89.2 410 436 A I - 0 0 2 -2,-0.3 -8,-0.0 1,-0.1 -91,-0.0 -0.582 61.9-121.8 -65.5 126.7 54.2 38.0 92.4 411 437 A P - 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