==== 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 CARBON-OXYGEN LYASE 11-OCT-95 1TTQ . COMPND 2 MOLECULE: TRYPTOPHAN SYNTHASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SALMONELLA TYPHIMURIUM; . AUTHOR S.RHEE,K.PARRIS,S.AHMED,E.W.MILES,D.R.DAVIES . 645 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23985.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 506 78.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 75 11.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 23 3.6 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.3 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 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 77 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 251 38.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 14 2.2 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 3 2 2 2 2 1 4 4 2 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 4 3 2 2 1 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 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 3 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 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 A M >> 0 0 49 0, 0.0 3,-0.7 0, 0.0 4,-0.6 0.000 360.0 360.0 360.0 -71.7 39.8 21.6 30.4 2 2 A E H >> + 0 0 124 1,-0.2 4,-1.8 145,-0.2 3,-0.6 0.835 360.0 66.6 -58.1 -57.1 36.3 23.3 31.0 3 3 A R H 3> S+ 0 0 72 1,-0.2 4,-2.9 2,-0.2 -1,-0.2 0.758 99.4 59.5 -37.8 -34.1 36.0 26.7 29.3 4 4 A Y H <> S+ 0 0 5 -3,-0.7 4,-2.9 2,-0.2 5,-0.3 0.994 105.3 46.4 -60.2 -58.8 36.2 24.9 25.9 5 5 A E H -e 51 0B 0 -2,-0.3 3,-1.0 26,-0.2 2,-0.3 -0.795 38.3-111.8 -91.0 141.4 52.9 35.0 19.6 25 25 A L T 3 S+ 0 0 0 26,-3.4 5,-0.1 -2,-0.4 51,-0.1 -0.495 97.8 13.3 -76.6 129.7 53.2 36.2 23.2 26 26 A G T 3 S+ 0 0 0 1,-0.3 -1,-0.2 -2,-0.3 7,-0.2 0.195 89.9 160.4 91.7 -16.0 55.4 39.3 23.6 27 27 A D S < S- 0 0 0 -3,-1.0 -1,-0.3 1,-0.3 44,-0.1 -0.657 72.2 -1.4 -80.8 134.0 55.5 40.2 19.9 28 28 A P S S- 0 0 35 0, 0.0 -1,-0.3 0, 0.0 2,-0.3 -0.930 140.7 -29.4 -87.0 6.3 56.3 43.1 19.1 29 29 A G > - 0 0 9 1,-0.1 4,-2.5 46,-0.0 -3,-0.2 -0.934 60.8-105.2-171.2 164.1 56.6 44.2 22.8 30 30 A I H > S+ 0 0 27 -2,-0.3 4,-2.6 44,-0.2 -4,-0.2 0.978 119.8 39.6 -71.4 -48.7 54.9 43.1 26.0 31 31 A E H > S+ 0 0 113 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.954 117.8 52.1 -62.1 -45.3 52.6 46.1 26.5 32 32 A Q H > S+ 0 0 70 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.882 109.4 47.5 -58.1 -48.0 51.9 46.0 22.8 33 33 A S H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.3 0.922 110.1 53.0 -65.0 -43.1 51.0 42.3 22.7 34 34 A L H X S+ 0 0 26 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.884 110.9 47.3 -63.4 -34.9 48.7 42.8 25.8 35 35 A K H X S+ 0 0 101 -4,-2.4 4,-2.6 2,-0.2 -2,-0.2 0.927 111.8 50.8 -68.6 -42.8 47.0 45.5 23.9 36 36 A I H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 -2,-0.2 0.966 110.4 48.6 -57.6 -53.9 46.7 43.3 20.7 37 37 A I H X S+ 0 0 0 -4,-3.0 4,-2.2 1,-0.2 -1,-0.2 0.850 111.5 50.5 -58.5 -37.9 45.2 40.4 22.7 38 38 A D H X S+ 0 0 47 -4,-1.7 4,-2.9 -5,-0.3 -1,-0.2 0.937 111.8 46.5 -66.2 -44.2 42.7 42.8 24.3 39 39 A T H X S+ 0 0 13 -4,-2.6 4,-3.1 2,-0.2 -2,-0.2 0.888 111.1 53.1 -66.0 -36.0 41.7 44.2 20.9 40 40 A L H <>S+ 0 0 0 -4,-2.8 5,-1.8 2,-0.2 4,-0.2 0.937 114.7 40.9 -62.7 -46.1 41.4 40.6 19.5 41 41 A I H ><5S+ 0 0 25 -4,-2.2 3,-1.8 3,-0.2 -2,-0.2 0.948 116.3 50.2 -63.7 -48.3 39.1 39.6 22.3 42 42 A D H 3<5S+ 0 0 108 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.917 108.0 53.8 -56.8 -45.6 37.2 42.9 22.1 43 43 A A T 3<5S- 0 0 12 -4,-3.1 -1,-0.3 -5,-0.2 -2,-0.2 0.482 134.7 -80.7 -72.1 -4.0 36.8 42.5 18.4 44 44 A G T < 5 + 0 0 22 -3,-1.8 2,-0.2 1,-0.2 -3,-0.2 0.728 66.1 161.8 116.2 21.1 35.2 39.0 18.8 45 45 A A < - 0 0 7 -5,-1.8 -1,-0.2 -4,-0.2 -25,-0.2 -0.553 24.0-158.8 -68.5 134.3 37.9 36.3 19.3 46 46 A D S S- 0 0 16 -27,-2.9 2,-0.3 -2,-0.2 -26,-0.2 0.834 71.6 -6.5 -84.4 -34.7 36.1 33.2 20.8 47 47 A A S S- 0 0 2 -28,-0.9 2,-0.4 48,-0.2 -1,-0.2 -0.856 73.3-121.2-146.0 179.2 39.3 31.7 22.3 48 48 A L E - f 0 97B 2 48,-1.8 50,-1.7 -2,-0.3 2,-0.5 -0.977 9.5-162.6-132.1 139.8 43.0 32.4 22.1 49 49 A E E -ef 22 98B 0 -28,-1.6 -26,-1.6 -2,-0.4 2,-0.5 -0.992 21.0-165.9-121.8 114.9 45.9 30.3 20.9 50 50 A L E -ef 23 99B 0 48,-2.5 50,-2.7 -2,-0.5 2,-0.4 -0.902 8.6-150.1-110.3 127.1 49.1 31.8 22.2 51 51 A G E -ef 24 100B 4 -28,-2.6 -26,-3.4 -2,-0.5 50,-0.1 -0.765 6.6-150.3 -94.2 140.0 52.6 31.0 21.0 52 52 A V - 0 0 21 48,-1.3 2,-0.4 -2,-0.4 16,-0.1 -0.806 32.3-101.5 -97.4 146.9 55.6 31.1 23.4 53 53 A P + 0 0 8 0, 0.0 2,-0.3 0, 0.0 12,-0.0 -0.599 46.7 177.9 -69.1 127.8 59.1 32.0 21.8 54 54 A F - 0 0 1 -2,-0.4 495,-0.1 1,-0.0 18,-0.1 -0.948 48.0 -90.3-133.7 154.3 61.4 29.0 21.2 55 55 A S S S- 0 0 17 -2,-0.3 494,-0.1 1,-0.2 -1,-0.0 0.668 107.7 -27.2 -24.4 -61.4 64.9 28.3 19.7 56 56 A D - 0 0 3 362,-0.1 -1,-0.2 371,-0.0 5,-0.0 -0.663 64.7-118.1-164.0 139.4 63.1 27.8 16.5 57 57 A P + 0 0 2 0, 0.0 8,-0.0 0, 0.0 45,-0.0 -0.185 25.7 172.0 -47.6 144.4 59.8 26.7 15.4 58 58 A L S S+ 0 0 21 3,-0.1 7,-0.1 372,-0.1 44,-0.0 0.603 78.6 50.5-122.4 -62.3 59.4 23.6 13.3 59 59 A A S S+ 0 0 43 2,-0.1 2,-0.4 1,-0.0 214,-0.0 0.621 123.8 37.3 -56.0 -17.1 55.7 23.0 12.9 60 60 A D S S+ 0 0 50 2,-0.0 371,-0.1 1,-0.0 -1,-0.0 -0.982 75.9 174.4-134.6 141.0 55.5 26.6 11.9 61 61 A G >> + 0 0 5 -2,-0.4 4,-2.2 3,-0.0 3,-0.8 0.179 48.2 18.4-115.9-116.9 58.1 28.4 9.8 62 62 A P H 3> S+ 0 0 88 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.618 121.5 30.0 -49.0 -66.0 58.5 31.8 8.2 63 63 A T H 3> S+ 0 0 37 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.862 123.5 48.9 -58.2 -41.5 56.2 34.4 9.7 64 64 A I H <> S+ 0 0 10 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.919 108.1 55.5 -68.9 -42.0 56.1 32.8 13.1 65 65 A Q H X S+ 0 0 23 -4,-2.2 4,-1.8 1,-0.2 -2,-0.2 0.942 109.6 46.6 -54.6 -50.8 60.0 32.5 13.1 66 66 A N H X S+ 0 0 86 -4,-2.3 4,-1.7 1,-0.2 -1,-0.2 0.885 111.3 52.8 -58.9 -39.5 60.1 36.3 12.5 67 67 A A H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.866 105.5 52.2 -66.2 -39.4 57.6 36.8 15.3 68 68 A N H X S+ 0 0 5 -4,-2.5 4,-2.7 2,-0.2 -1,-0.2 0.928 106.8 54.6 -62.6 -42.4 59.5 34.8 17.9 69 69 A L H X S+ 0 0 66 -4,-1.8 4,-2.5 2,-0.2 5,-0.3 0.924 105.8 51.4 -55.1 -49.8 62.6 36.9 17.2 70 70 A R H X S+ 0 0 38 -4,-1.7 4,-1.0 1,-0.2 -1,-0.2 0.882 113.2 46.0 -58.3 -39.4 60.7 40.1 17.9 71 71 A A H <>S+ 0 0 0 -4,-1.8 5,-1.5 2,-0.2 4,-0.3 0.879 108.7 54.8 -73.5 -34.5 59.5 38.6 21.2 72 72 A F H ><5S+ 0 0 74 -4,-2.7 3,-1.9 1,-0.2 -2,-0.2 0.965 110.1 47.0 -59.1 -51.1 63.1 37.3 22.1 73 73 A A H 3<5S+ 0 0 93 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.771 103.0 65.2 -58.5 -30.7 64.4 40.8 21.7 74 74 A A T 3<5S- 0 0 35 -4,-1.0 -1,-0.3 -5,-0.3 -44,-0.2 0.506 115.5-114.0 -73.6 -7.1 61.5 42.2 23.7 75 75 A G T < 5 + 0 0 39 -3,-1.9 2,-1.3 -4,-0.3 -3,-0.2 0.849 52.9 166.5 78.8 35.8 62.8 40.3 26.8 76 76 A V < + 0 0 17 -5,-1.5 -1,-0.2 -4,-0.2 -2,-0.1 -0.683 10.9 179.4 -87.5 94.5 60.0 37.9 27.1 77 77 A T > - 0 0 61 -2,-1.3 4,-2.6 1,-0.1 5,-0.1 -0.511 47.2-101.3 -81.3 164.3 61.4 35.3 29.6 78 78 A P H > S+ 0 0 60 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.852 128.9 57.4 -50.7 -32.4 59.3 32.3 30.7 79 79 A A H > S+ 0 0 56 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.962 107.5 44.0 -63.5 -49.7 58.7 34.4 33.8 80 80 A Q H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.874 109.6 59.1 -64.3 -35.1 57.3 37.2 31.7 81 81 A C H X S+ 0 0 6 -4,-2.6 4,-2.9 1,-0.2 3,-0.2 0.982 110.8 38.9 -59.2 -59.2 55.2 34.6 29.7 82 82 A F H X S+ 0 0 25 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.866 114.2 55.4 -62.6 -32.4 53.4 33.4 32.8 83 83 A E H X S+ 0 0 119 -4,-2.3 4,-1.4 -5,-0.2 -1,-0.2 0.943 112.0 44.0 -61.6 -42.9 53.1 36.9 34.3 84 84 A M H X S+ 0 0 6 -4,-2.6 4,-2.5 -3,-0.2 3,-0.3 0.940 111.7 53.6 -65.3 -48.5 51.4 38.0 31.0 85 85 A L H X S+ 0 0 2 -4,-2.9 4,-2.0 1,-0.2 -2,-0.2 0.858 106.8 52.4 -57.1 -33.9 49.2 34.9 31.0 86 86 A A H X S+ 0 0 39 -4,-2.2 4,-1.8 2,-0.2 -1,-0.2 0.875 110.9 45.7 -72.4 -36.0 48.0 35.7 34.5 87 87 A L H X S+ 0 0 70 -4,-1.4 4,-2.0 -3,-0.3 5,-0.3 0.924 108.6 54.9 -75.0 -40.7 47.0 39.2 33.7 88 88 A I H >X S+ 0 0 0 -4,-2.5 4,-1.9 1,-0.2 3,-0.6 0.961 112.1 46.1 -53.4 -49.7 45.2 38.2 30.5 89 89 A R H 3< S+ 0 0 26 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.873 108.7 56.3 -63.3 -33.5 43.2 35.7 32.6 90 90 A E H 3< S+ 0 0 164 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.810 113.5 39.4 -69.1 -29.7 42.5 38.5 35.3 91 91 A K H << S+ 0 0 77 -4,-2.0 -1,-0.2 -3,-0.6 -2,-0.2 0.765 124.8 37.1 -86.3 -28.7 41.0 40.8 32.7 92 92 A H < + 0 0 35 -4,-1.9 3,-0.3 -5,-0.3 -1,-0.2 -0.714 63.8 177.2-130.9 87.9 39.1 38.1 30.8 93 93 A P S S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.588 77.7 38.1 -65.6 -18.2 37.7 35.3 33.1 94 94 A T S S+ 0 0 109 2,-0.1 -87,-0.1 -87,-0.0 -5,-0.1 0.726 80.3 108.5-108.9 -28.4 35.9 33.3 30.4 95 95 A I S S- 0 0 20 -3,-0.3 2,-0.3 1,-0.1 -48,-0.2 -0.307 71.0-122.1 -53.7 128.7 38.0 33.2 27.3 96 96 A P - 0 0 1 0, 0.0 -48,-1.8 0, 0.0 2,-0.5 -0.610 28.4-160.5 -68.9 134.2 39.6 29.8 26.7 97 97 A I E -f 48 0B 1 -2,-0.3 27,-2.9 25,-0.2 28,-1.1 -0.991 10.5-178.2-120.1 126.7 43.4 30.3 26.5 98 98 A G E -fg 49 125B 0 -50,-1.7 -48,-2.5 -2,-0.5 2,-0.4 -0.905 14.8-140.7-123.2 152.6 45.5 27.5 24.8 99 99 A L E -fg 50 126B 1 26,-2.1 28,-2.9 -2,-0.3 2,-0.6 -0.927 2.8-149.6-119.4 141.0 49.3 27.4 24.5 100 100 A L E +fg 51 127B 13 -50,-2.7 -48,-1.3 -2,-0.4 2,-0.2 -0.948 36.1 164.3-108.2 119.1 51.4 26.3 21.6 101 101 A M E - g 0 128B 6 26,-3.2 28,-2.8 -2,-0.6 2,-0.3 -0.750 36.0-125.4-128.6 171.3 54.7 24.9 22.9 102 102 A Y > - 0 0 11 -2,-0.2 4,-1.1 26,-0.2 3,-0.3 -0.916 34.1-113.0-119.2 156.7 57.7 22.8 22.0 103 103 A A H > S+ 0 0 0 -2,-0.3 4,-2.7 1,-0.2 5,-0.2 0.769 109.3 58.9 -67.7 -28.9 58.7 19.8 24.1 104 104 A N H > S+ 0 0 1 430,-0.4 4,-2.7 1,-0.2 -1,-0.2 0.968 104.6 50.3 -65.2 -51.1 62.0 21.2 25.5 105 105 A L H 4 S+ 0 0 29 -3,-0.3 4,-0.4 2,-0.2 -1,-0.2 0.768 114.2 45.8 -60.8 -25.1 60.3 24.2 27.1 106 106 A V H >< S+ 0 0 1 -4,-1.1 3,-0.7 1,-0.1 8,-0.2 0.967 117.5 42.5 -75.4 -56.3 57.7 21.8 28.8 107 107 A F H >< S+ 0 0 53 -4,-2.7 3,-2.0 1,-0.2 -2,-0.2 0.749 92.1 90.4 -59.0 -32.1 60.4 19.3 29.9 108 108 A N T 3< S+ 0 0 28 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.1 0.809 104.5 16.1 -38.9 -53.3 62.9 22.0 31.1 109 109 A N T < S- 0 0 126 -3,-0.7 -1,-0.3 -4,-0.4 -2,-0.1 0.142 136.2 -59.9-115.2 27.2 61.7 22.3 34.7 110 110 A G <> - 0 0 33 -3,-2.0 4,-1.7 -4,-0.1 -1,-0.3 0.217 42.5-118.0 98.3 130.5 59.7 19.1 34.9 111 111 A I H >> S+ 0 0 32 2,-0.2 4,-2.1 1,-0.2 3,-0.9 0.989 115.6 47.1 -60.7 -57.4 56.7 18.2 32.7 112 112 A D H 3> S+ 0 0 66 1,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.856 110.9 53.5 -59.1 -34.0 54.4 18.0 35.7 113 113 A A H 3> S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 -1,-0.3 0.817 104.6 54.5 -72.4 -29.2 55.6 21.3 37.0 114 114 A F H S+ 0 0 0 -4,-1.9 5,-1.9 2,-0.2 4,-1.1 0.977 110.6 45.3 -66.1 -50.1 49.7 26.4 33.7 119 119 A E H ><5S+ 0 0 89 -4,-2.5 3,-0.6 1,-0.3 -2,-0.2 0.902 111.9 53.2 -59.9 -43.0 46.9 25.4 36.0 120 120 A Q H 3<5S+ 0 0 131 -4,-2.8 -1,-0.3 1,-0.2 -2,-0.2 0.850 112.7 43.2 -60.9 -38.9 47.9 28.1 38.5 121 121 A V H 3<5S- 0 0 10 -4,-1.9 -32,-0.2 -3,-0.3 -1,-0.2 0.542 118.2-107.5 -87.8 -5.9 47.8 30.8 35.7 122 122 A G T <<5 + 0 0 15 -4,-1.1 2,-0.3 -3,-0.6 -3,-0.2 0.864 58.8 158.1 87.8 39.7 44.5 29.7 34.2 123 123 A V < - 0 0 7 -5,-1.9 -1,-0.3 1,-0.1 -25,-0.2 -0.718 25.2-162.0 -88.3 148.3 45.6 28.1 30.9 124 124 A D + 0 0 4 -27,-2.9 25,-3.0 -2,-0.3 2,-0.3 0.734 62.3 9.2-104.0 -29.9 43.1 25.6 29.5 125 125 A S E -gh 98 149B 0 -28,-1.1 -26,-2.1 23,-0.2 2,-0.4 -0.988 52.2-153.3-153.0 159.5 45.1 23.6 27.0 126 126 A V E -gh 99 150B 2 23,-2.0 25,-1.8 -2,-0.3 2,-0.5 -0.990 1.1-167.2-139.6 130.5 48.5 23.0 25.7 127 127 A L E -g 100 0B 5 -28,-2.9 -26,-3.2 -2,-0.4 2,-0.8 -0.976 11.1-158.6-111.8 121.5 49.5 21.8 22.2 128 128 A V E > -g 101 0B 16 23,-0.5 3,-2.0 -2,-0.5 -26,-0.2 -0.904 10.5-150.5-108.4 100.8 53.1 20.7 22.2 129 129 A A T 3 S+ 0 0 7 -28,-2.8 146,-0.4 -2,-0.8 -27,-0.2 0.716 85.5 40.6 -47.1 -34.6 54.0 20.9 18.6 130 130 A D T 3 S+ 0 0 7 -29,-0.3 -1,-0.3 144,-0.1 -28,-0.1 0.041 85.5 96.3-110.0 23.4 56.7 18.2 18.5 131 131 A V < - 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0 0 6 -4,-2.0 2,-0.3 -5,-0.3 -19,-0.2 -0.388 47.8-179.8 -79.2 168.1 42.7 14.9 23.0 171 171 A R + 0 0 92 -21,-0.8 2,-1.7 2,-0.4 -19,-0.1 -0.941 60.3 34.8-153.7 168.1 40.3 17.2 24.9 172 172 A G S S- 0 0 16 -2,-0.3 2,-0.3 -21,-0.1 -21,-0.1 -0.644 124.4 -26.4 79.0 -86.8 39.3 20.8 24.4 173 173 A Y - 0 0 2 -2,-1.7 -21,-0.4 22,-0.2 2,-0.4 -0.945 61.9-112.3-151.5 164.9 39.3 20.6 20.6 174 174 A T E - c 0 197A 2 22,-2.0 24,-2.6 21,-0.4 2,-0.7 -0.851 29.9-132.9 -98.1 139.4 41.1 18.6 17.8 175 175 A Y E -bc 153 198A 17 -23,-2.3 -21,-2.9 -2,-0.4 2,-0.5 -0.858 25.1-159.1 -94.3 118.1 43.5 20.8 15.8 176 176 A L E bc 154 199A 0 22,-3.0 24,-2.9 -2,-0.7 25,-0.7 -0.823 360.0 360.0-101.0 132.2 42.7 20.0 12.2 177 177 A L 0 0 60 -23,-2.8 22,-0.0 -2,-0.5 -2,-0.0 -0.955 360.0 360.0-117.0 360.0 45.3 20.7 9.7 178 ! 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 0.0 179 190 A A 0 0 159 0, 0.0 -22,-0.1 0, 0.0 -20,-0.1 0.000 360.0 360.0 360.0 179.6 45.0 11.5 1.1 180 191 A L - 0 0 58 1,-0.1 2,-0.2 -22,-0.1 -22,-0.1 0.849 360.0-114.4 85.7 112.2 41.2 12.1 2.9 181 192 A P >> - 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n 0 626D 6 -5,-0.3 2,-0.5 298,-0.2 300,-0.2 -0.830 52.4-155.4 -94.8 128.5 102.3 2.4 24.2 328 72 B T E - n 0 627D 44 298,-2.2 300,-2.5 -2,-0.5 2,-0.5 -0.890 18.5-164.8 -93.9 128.3 101.6 0.8 20.8 329 73 B L E - n 0 628D 1 -2,-0.5 -11,-3.0 -11,-0.5 2,-0.3 -0.953 8.8-174.5-118.8 122.1 99.3 3.2 18.8 330 74 B Y E -Mn 317 629D 6 298,-1.8 300,-2.6 -2,-0.5 2,-0.4 -0.890 12.7-149.1-107.4 145.3 97.4 2.2 15.6 331 75 B L E -Mn 316 630D 0 -15,-2.3 -15,-2.1 -2,-0.3 2,-0.7 -0.956 10.7-138.3-112.4 129.1 95.4 4.7 13.5 332 76 B K E -Mn 315 631D 0 298,-2.4 300,-1.9 -2,-0.4 2,-1.9 -0.837 25.6-134.4 -90.0 120.7 92.3 3.6 11.6 333 77 B R E > + n 0 632D 33 -19,-3.1 3,-1.7 -2,-0.7 -19,-0.4 -0.353 53.7 142.6 -84.5 64.5 92.7 5.3 8.3 334 78 B E G > + 0 0 0 -2,-1.9 3,-1.4 298,-1.2 -1,-0.2 0.666 67.0 76.2 -73.9 -12.7 89.3 6.8 7.5 335 79 B D G 3 S+ 0 0 10 297,-0.6 -1,-0.3 299,-0.3 300,-0.2 0.645 89.0 60.0 -68.0 -12.4 91.3 9.8 6.1 336 80 B L G < S+ 0 0 95 -3,-1.7 2,-0.3 -22,-0.1 -1,-0.2 0.242 81.6 109.6 -97.6 5.9 92.0 7.5 3.1 337 81 B L S X S- 0 0 3 -3,-1.4 3,-2.7 1,-0.1 -27,-0.2 -0.636 87.8 -89.7 -79.6 145.5 88.4 7.1 2.3 338 82 B H T 3 S+ 0 0 72 -29,-2.4 3,-0.3 -2,-0.3 6,-0.2 -0.365 121.6 29.9 -52.3 120.9 87.0 8.8 -0.9 339 83 B G T 3 S- 0 0 21 -2,-0.2 -1,-0.3 1,-0.1 3,-0.1 0.037 119.7-100.1 108.1 -24.0 85.9 12.3 0.2 340 84 B G S < S+ 0 0 3 -3,-2.7 295,-2.0 1,-0.2 2,-0.3 0.744 96.0 70.3 83.0 26.6 88.6 12.3 2.9 341 85 B A B > S-R 634 0E 5 -3,-0.3 3,-1.1 293,-0.2 293,-0.2 -0.938 88.2-110.2-169.0 148.0 86.3 11.4 5.8 342 86 B H T >> S+ 0 0 10 291,-2.3 3,-1.6 -2,-0.3 4,-0.6 0.619 97.4 92.7 -57.0 -18.6 84.2 8.6 7.2 343 87 B K H >> S+ 0 0 43 1,-0.3 4,-1.7 290,-0.2 3,-0.8 0.921 74.7 68.2 -39.3 -51.4 81.0 10.6 6.2 344 88 B T H <> S+ 0 0 0 -3,-1.1 4,-2.1 1,-0.2 -1,-0.3 0.689 87.0 64.2 -41.6 -35.9 81.0 8.7 2.9 345 89 B N H <> S+ 0 0 0 -3,-1.6 4,-1.7 1,-0.2 -1,-0.2 0.955 111.3 33.2 -62.6 -49.8 80.2 5.2 4.3 346 90 B Q H S+ 0 0 0 -4,-2.4 5,-2.7 1,-0.2 -2,-0.2 0.925 112.3 47.2 -58.6 -38.6 66.5 6.2 -0.9 355 99 B K H ><5S+ 0 0 91 -4,-2.2 3,-2.4 1,-0.2 -1,-0.2 0.910 105.7 55.6 -64.7 -45.7 66.7 4.4 -4.2 356 100 B R H 3<5S+ 0 0 70 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.781 108.5 50.9 -64.0 -20.3 65.3 1.2 -2.8 357 101 B M T 3<5S- 0 0 30 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.232 119.3-111.6 -98.6 10.2 62.3 3.2 -1.6 358 102 B G T < 5 + 0 0 62 -3,-2.4 -3,-0.2 1,-0.2 -2,-0.1 0.577 66.4 149.9 73.5 9.5 61.8 4.8 -5.1 359 103 B K < - 0 0 10 -5,-2.7 -1,-0.2 -6,-0.2 81,-0.2 -0.372 30.0-170.9 -73.8 156.1 62.8 8.2 -3.9 360 104 B S + 0 0 54 79,-2.6 25,-2.5 -3,-0.1 2,-0.3 0.340 61.0 56.3-129.1 -0.0 64.5 10.5 -6.4 361 105 B E E -st 385 440F 26 78,-1.3 80,-1.7 23,-0.2 2,-0.4 -0.907 59.2-152.5-127.7 165.0 65.7 13.5 -4.3 362 106 B I E -st 386 441F 0 23,-2.0 25,-2.3 -2,-0.3 2,-0.4 -0.987 5.7-163.8-133.9 139.3 67.9 13.9 -1.3 363 107 B I E +st 387 442F 0 78,-2.5 80,-3.3 -2,-0.4 2,-0.3 -0.957 20.0 164.5-116.3 142.4 67.6 16.7 1.3 364 108 B A E -s 388 0F 0 23,-1.5 25,-2.9 -2,-0.4 2,-0.3 -0.967 23.8-142.1-154.2 168.0 70.6 17.4 3.6 365 109 B E E -s 389 0F 12 78,-0.4 2,-0.3 -2,-0.3 25,-0.2 -0.911 19.0-174.1-132.3 151.6 72.0 20.0 6.0 366 110 B T E -s 390 0F 5 23,-2.1 25,-0.9 -2,-0.3 3,-0.2 -0.981 28.4-177.2-150.1 163.4 75.5 21.3 6.8 367 111 B G S S+ 0 0 16 1,-0.7 2,-0.6 -2,-0.3 31,-0.1 0.566 96.7 16.8-111.7 -88.9 77.8 23.4 8.9 368 112 B A S > S- 0 0 23 190,-0.4 2,-1.3 1,-0.1 3,-0.8 -0.841 104.8-111.4 -79.5 126.1 81.3 23.0 7.6 369 113 B G T 3> S+ 0 0 0 -2,-0.6 4,-3.0 1,-0.2 5,-0.3 0.321 88.9 108.8 -55.9 15.7 80.3 21.5 4.2 370 114 B Q H 3> S+ 0 0 30 -2,-1.3 4,-1.6 1,-0.2 -1,-0.2 0.838 84.6 41.8 -67.4 -32.1 81.7 17.9 4.7 371 115 B H H <> S+ 0 0 9 -3,-0.8 4,-2.5 2,-0.2 -1,-0.2 0.908 115.6 52.3 -76.3 -32.5 78.3 16.3 5.0 372 116 B G H > S+ 0 0 0 -4,-0.3 4,-3.0 1,-0.2 -2,-0.2 0.939 110.6 46.8 -65.2 -46.6 77.0 18.5 2.2 373 117 B V H X S+ 0 0 8 -4,-3.0 4,-2.6 1,-0.2 -1,-0.2 0.862 111.8 51.1 -65.3 -37.8 79.9 17.4 -0.1 374 118 B A H X S+ 0 0 0 -4,-1.6 4,-2.0 -5,-0.3 -1,-0.2 0.874 111.8 46.1 -71.6 -37.6 79.4 13.8 0.8 375 119 B S H X S+ 0 0 0 -4,-2.5 4,-3.0 2,-0.2 5,-0.2 0.976 112.8 51.7 -63.5 -52.7 75.6 14.0 -0.0 376 120 B A H X S+ 0 0 1 -4,-3.0 4,-2.6 1,-0.2 5,-0.3 0.933 112.0 46.9 -49.0 -46.5 76.5 15.8 -3.3 377 121 B L H X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.2 -1,-0.2 0.881 114.0 44.6 -71.7 -34.7 78.9 13.1 -4.2 378 122 B A H X S+ 0 0 0 -4,-2.0 4,-2.4 2,-0.2 -1,-0.2 0.908 114.3 51.2 -75.3 -34.0 76.7 10.2 -3.5 379 123 B S H X>S+ 0 0 3 -4,-3.0 5,-1.8 2,-0.2 4,-1.5 0.952 110.3 47.9 -59.4 -54.6 73.8 11.9 -5.3 380 124 B A H <5S+ 0 0 62 -4,-2.6 3,-0.4 1,-0.2 -2,-0.2 0.901 114.2 48.5 -56.2 -42.7 75.8 12.6 -8.4 381 125 B L H <5S+ 0 0 70 -4,-2.0 -1,-0.2 -5,-0.3 -2,-0.2 0.921 120.4 34.2 -65.6 -44.3 77.0 9.0 -8.4 382 126 B L H <5S- 0 0 35 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.379 109.6-112.2 -97.6 3.4 73.6 7.4 -7.9 383 127 B G T <5 + 0 0 64 -4,-1.5 2,-0.3 -3,-0.4 -3,-0.2 0.910 65.3 139.8 74.3 46.1 71.4 9.9 -9.9 384 128 B L < - 0 0 13 -5,-1.8 2,-0.3 -6,-0.1 -1,-0.2 -0.837 54.8-118.9-113.6 149.0 69.4 11.5 -7.2 385 129 B K E -s 361 0F 139 -25,-2.5 -23,-2.0 -2,-0.3 2,-0.4 -0.717 36.5-160.1 -82.8 150.0 68.6 15.3 -7.2 386 130 B C E -s 362 0F 12 23,-0.4 25,-2.5 -2,-0.3 2,-0.4 -0.981 19.3-174.9-140.3 126.5 70.1 16.9 -4.1 387 131 B R E -su 363 411F 32 -25,-2.3 -23,-1.5 -2,-0.4 2,-0.4 -0.954 13.8-157.5-118.1 140.3 69.4 20.2 -2.2 388 132 B I E -su 364 412F 0 23,-2.9 25,-3.1 -2,-0.4 2,-0.5 -0.962 5.2-151.6-121.5 133.4 71.6 21.1 0.8 389 133 B Y E +su 365 413F 22 -25,-2.9 -23,-2.1 -2,-0.4 2,-0.4 -0.900 26.2 164.0-103.3 128.4 70.5 23.5 3.6 390 134 B M E -su 366 414F 0 23,-2.0 25,-2.9 -2,-0.5 -23,-0.2 -0.996 40.7-105.1-145.9 138.2 73.4 25.3 5.1 391 135 B G E > - u 0 415F 0 -25,-0.9 4,-2.7 -2,-0.4 3,-0.2 -0.461 25.1-122.7 -69.9 143.7 73.3 28.4 7.3 392 136 B A H > S+ 0 0 23 23,-3.0 4,-2.3 2,-0.2 5,-0.2 0.803 115.6 54.3 -52.6 -34.0 74.4 31.7 5.7 393 137 B K H > S+ 0 0 75 27,-1.5 4,-1.8 2,-0.2 -1,-0.2 0.959 112.2 44.9 -64.2 -45.7 77.1 32.1 8.4 394 138 B D H > S+ 0 0 25 26,-1.0 4,-2.8 -3,-0.2 -2,-0.2 0.914 110.9 52.9 -65.2 -42.6 78.3 28.7 7.4 395 139 B V H < S+ 0 0 35 -4,-2.7 4,-0.5 2,-0.2 7,-0.2 0.953 109.3 49.4 -57.9 -47.4 78.1 29.5 3.6 396 140 B E H < S+ 0 0 120 -4,-2.3 3,-0.4 1,-0.2 -1,-0.2 0.866 119.1 38.9 -59.4 -42.4 80.2 32.6 4.1 397 141 B R H < S+ 0 0 134 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.783 120.5 43.2 -79.0 -29.5 82.8 30.6 6.1 398 142 B Q >X + 0 0 46 -4,-2.8 4,-1.8 -5,-0.2 3,-1.0 0.073 64.3 136.1-114.8 33.7 82.8 27.4 4.0 399 143 B S H 3> + 0 0 67 -4,-0.5 4,-2.3 -3,-0.4 5,-0.2 0.665 68.3 61.1 -58.6 -22.4 82.8 28.6 0.4 400 144 B P H 3> S+ 0 0 74 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.949 110.5 43.6 -58.5 -45.6 85.5 26.0 -0.8 401 145 B N H <> S+ 0 0 13 -3,-1.0 4,-2.1 2,-0.2 -2,-0.2 0.858 112.3 52.7 -70.2 -34.7 83.0 23.3 0.2 402 146 B V H X S+ 0 0 12 -4,-1.8 4,-2.5 2,-0.2 5,-0.2 0.963 109.4 48.3 -63.3 -48.9 80.1 25.2 -1.3 403 147 B F H X S+ 0 0 135 -4,-2.3 4,-2.7 1,-0.2 -2,-0.2 0.927 112.5 50.7 -56.3 -43.9 81.9 25.5 -4.7 404 148 B R H X S+ 0 0 115 -4,-2.3 4,-1.1 2,-0.2 -1,-0.2 0.874 109.0 49.6 -63.6 -37.4 82.7 21.8 -4.4 405 149 B M H <>S+ 0 0 0 -4,-2.1 5,-1.9 2,-0.2 3,-0.5 0.929 112.7 47.8 -67.4 -44.7 79.0 20.9 -3.7 406 150 B R H ><5S+ 0 0 129 -4,-2.5 3,-2.4 1,-0.2 -2,-0.2 0.912 104.6 59.4 -61.7 -44.8 77.8 22.9 -6.7 407 151 B L H 3<5S+ 0 0 125 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.808 104.1 52.9 -56.4 -29.6 80.5 21.3 -8.9 408 152 B M T 3<5S- 0 0 59 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.412 126.5-102.2 -89.2 9.4 78.8 18.0 -8.1 409 153 B G T < 5S+ 0 0 67 -3,-2.4 -23,-0.4 1,-0.3 2,-0.3 0.675 73.7 139.8 86.3 23.8 75.4 19.3 -9.2 410 154 B A < - 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0 0 0 30,-1.8 4,-1.9 1,-0.1 32,-0.2 -0.676 31.3-120.9 -71.4 139.4 91.7 16.5 10.4 605 349 B L T 4 S+ 0 0 1 -2,-0.3 4,-0.5 1,-0.2 -48,-0.2 0.701 115.2 58.9 -49.0 -21.0 91.4 19.0 13.4 606 350 B E T >> S+ 0 0 27 2,-0.2 3,-1.4 1,-0.2 4,-0.5 0.977 108.6 41.1 -75.4 -51.8 88.3 16.9 14.4 607 351 B S H >> S+ 0 0 1 1,-0.3 4,-2.1 2,-0.2 3,-0.5 0.723 100.4 74.5 -69.7 -20.4 90.3 13.7 14.7 608 352 B S H 3X S+ 0 0 0 -4,-1.9 4,-2.8 1,-0.2 -1,-0.3 0.808 88.7 62.3 -59.9 -26.7 93.2 15.6 16.4 609 353 B H H <> S+ 0 0 0 -3,-1.4 4,-1.3 -4,-0.5 -1,-0.2 0.912 106.1 43.2 -66.5 -37.2 91.0 15.7 19.5 610 354 B A H < S+ 0 0 7 -4,-1.5 3,-0.7 2,-0.2 6,-0.2 0.972 114.2 46.1 -67.4 -59.9 100.8 7.9 26.8 619 363 B R H 3< S+ 0 0 122 -4,-3.2 -1,-0.2 1,-0.3 -2,-0.2 0.780 111.5 52.0 -56.7 -32.2 102.7 10.9 28.2 620 364 B E H 3< S+ 0 0 135 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.783 124.5 25.0 -81.1 -27.9 101.1 10.7 31.6 621 365 B Q S X< S+ 0 0 102 -4,-1.0 3,-3.0 -3,-0.7 -295,-0.2 -0.312 70.8 167.5-134.9 63.6 102.0 7.0 32.1 622 366 B P T 3 S+ 0 0 47 0, 0.0 -296,-1.0 0, 0.0 -295,-0.2 0.514 76.9 50.0 -58.1 -11.1 105.0 6.3 29.9 623 367 B E T 3 S+ 0 0 130 -298,-0.2 2,-0.5 -297,-0.1 -298,-0.1 0.302 83.0 111.9-108.6 8.7 105.8 2.9 31.4 624 368 B K < - 0 0 95 -3,-3.0 2,-0.6 -6,-0.2 -298,-0.3 -0.692 67.5-136.3 -83.1 124.4 102.2 1.7 31.1 625 369 B E + 0 0 147 -2,-0.5 2,-0.3 -298,-0.1 -298,-0.2 -0.721 41.5 155.3 -81.9 115.9 102.0 -1.1 28.5 626 370 B Q E -n 327 0D 10 -300,-1.3 -298,-2.2 -2,-0.6 2,-0.7 -0.964 39.9-146.9-152.3 135.6 98.9 -0.4 26.3 627 371 B L E +n 328 0D 3 -2,-0.3 -146,-3.4 -300,-0.2 -145,-1.2 -0.854 30.7 179.3 -92.9 104.7 97.6 -1.2 22.8 628 372 B L E -np 329 482D 0 -300,-2.5 -298,-1.8 -2,-0.7 2,-0.4 -0.741 19.8-160.6-107.3 155.8 95.5 1.8 21.6 629 373 B V E -np 330 483D 0 -147,-1.5 -145,-2.3 -2,-0.3 2,-0.3 -0.978 10.4-162.8-127.4 116.9 93.6 2.3 18.2 630 374 B V E -np 331 484D 1 -300,-2.6 -298,-2.4 -2,-0.4 2,-0.8 -0.769 21.4-127.3 -92.1 148.7 92.7 6.0 17.4 631 375 B N E -n 332 0D 0 -147,-1.6 2,-1.2 -2,-0.3 -145,-0.4 -0.885 17.4-158.1 -96.8 107.4 90.0 6.5 14.7 632 376 B L E -n 333 0D 4 -300,-1.9 -298,-1.2 -2,-0.8 -297,-0.6 -0.738 17.4-179.8 -84.8 98.6 91.6 8.9 12.3 633 377 B S + 0 0 6 -2,-1.2 -291,-2.3 -299,-0.2 2,-0.3 0.653 51.8 0.7 -86.9 -12.6 88.3 10.1 10.8 634 378 B G B S-R 341 0E 4 -293,-0.2 -30,-1.8 -30,-0.1 -299,-0.3 -0.971 71.3-103.8-162.5 163.5 89.3 12.6 8.2 635 379 B R B -W 603 0H 100 -295,-2.0 3,-0.3 -2,-0.3 -30,-0.1 -0.589 26.3-131.0 -92.9 161.4 92.3 14.2 6.6 636 380 B G S >> S+ 0 0 0 -34,-1.9 4,-0.8 -2,-0.2 3,-0.8 0.277 71.1 112.4-104.1 17.7 93.4 17.8 7.5 637 381 B D G >4 S+ 0 0 77 -35,-0.3 3,-1.0 1,-0.2 4,-0.4 0.901 82.2 51.6 -54.4 -39.6 93.9 19.5 4.1 638 382 B K G >4 S+ 0 0 67 -3,-0.3 3,-0.5 1,-0.2 4,-0.5 0.837 108.2 53.3 -65.0 -26.3 90.8 21.7 4.8 639 383 B D G <> S+ 0 0 11 -3,-0.8 4,-3.0 1,-0.2 5,-0.3 0.630 81.0 89.4 -86.7 -10.5 92.2 22.7 8.1 640 384 B I H > S+ 0 0 59 -4,-0.5 3,-2.2 1,-0.2 4,-1.8 0.970 112.6 50.0 -61.9 -54.0 92.9 27.5 9.8 643 387 B V H 3X S+ 0 0 10 -4,-3.0 4,-2.1 1,-0.3 -1,-0.2 0.835 105.6 63.8 -58.4 -27.9 95.9 26.0 11.4 644 388 B H H 3< S+ 0 0 126 -4,-1.2 -1,-0.3 -5,-0.3 -2,-0.2 0.511 102.3 43.0 -78.5 -11.6 97.8 28.7 9.4 645 389 B D H <4 S+ 0 0 142 -3,-2.2 -1,-0.2 -4,-0.3 -2,-0.2 0.691 111.1 55.5 -93.5 -27.6 96.4 31.7 11.1 646 390 B I H < 0 0 94 -4,-1.8 -2,-0.2 -5,-0.2 -3,-0.2 0.896 360.0 360.0 -65.0 -42.6 96.7 30.0 14.5 647 391 B L < 0 0 111 -4,-2.1 -3,-0.2 -5,-0.2 -4,-0.1 0.265 360.0 360.0-136.2 360.0 100.4 29.7 13.6