==== 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 ALLOSTERY 27-MAR-98 1TDJ . COMPND 2 MOLECULE: BIOSYNTHETIC THREONINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR D.T.GALLAGHER,G.L.GILLILAND,G.XIAO,E.EISENSTEIN . 494 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23377.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 359 72.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 36 7.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 43 8.7 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 . 0 0.0 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 . 3 0.6 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 . 48 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 151 30.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 10 2.0 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 0 2 3 0 1 2 3 1 0 2 1 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 1 2 1 3 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 . 1 1 3 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 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 5 A Q > 0 0 89 0, 0.0 2,-1.9 0, 0.0 3,-1.1 0.000 360.0 360.0 360.0 -60.4 -24.2 21.2 6.1 2 6 A P T 3 + 0 0 83 0, 0.0 67,-0.0 0, 0.0 13,-0.0 0.003 360.0 50.7 -35.3 65.6 -26.7 19.0 4.0 3 7 A L T 3 + 0 0 18 -2,-1.9 2,-5.2 4,-0.0 9,-0.0 0.407 53.3 130.8-167.3 -23.4 -28.4 17.0 6.7 4 8 A S S < S+ 0 0 107 -3,-1.1 2,-0.0 2,-0.1 0, 0.0 0.157 73.1 51.0 -39.6 26.9 -29.8 19.2 9.7 5 9 A G S S- 0 0 48 -2,-5.2 242,-0.1 242,-0.0 -1,-0.1 0.198 114.8 -47.6-126.6-118.0 -33.2 17.5 9.6 6 10 A A - 0 0 58 240,-0.0 -2,-0.1 244,-0.0 -3,-0.0 -0.527 57.8-157.5-130.8 56.5 -34.5 14.0 9.6 7 11 A P - 0 0 9 0, 0.0 2,-0.4 0, 0.0 3,-0.1 0.040 14.8-127.1 -34.5 146.1 -32.4 12.3 7.1 8 12 A E > - 0 0 121 1,-0.1 4,-1.6 0, 0.0 3,-0.3 -0.825 31.9 -92.2-104.1 147.9 -34.0 9.2 5.7 9 13 A G H >> S+ 0 0 9 -2,-0.4 4,-1.5 1,-0.3 3,-1.2 0.706 125.5 38.6 -15.6 -80.5 -32.2 5.8 5.7 10 14 A A H 3> S+ 0 0 62 1,-0.3 4,-2.2 2,-0.2 5,-0.4 0.894 105.5 65.0 -48.0 -53.8 -30.7 6.2 2.3 11 15 A E H 3> S+ 0 0 78 1,-0.3 4,-2.4 -3,-0.3 -1,-0.3 0.886 104.7 49.9 -39.6 -42.8 -29.9 9.8 2.6 12 16 A Y H + 0 0 47 0, 0.0 3,-1.2 0, 0.0 4,-0.4 -0.135 52.7 139.5 -79.1 39.1 -14.5 13.0 2.5 21 25 A V G >> + 0 0 0 -2,-1.7 4,-3.1 1,-0.3 3,-2.0 0.875 57.6 61.7 -59.3 -41.6 -13.2 11.1 5.5 22 26 A Y G 34 S+ 0 0 100 -3,-0.4 -1,-0.3 1,-0.3 5,-0.0 0.722 82.1 78.0 -65.6 -16.1 -10.0 9.7 4.1 23 27 A E G <4 S+ 0 0 119 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.868 123.0 7.6 -57.4 -30.0 -8.5 13.0 3.4 24 28 A A T <4 S+ 0 0 1 -3,-2.0 -2,-0.2 -4,-0.4 -1,-0.1 0.747 127.2 57.8-116.1 -45.9 -7.7 13.1 7.2 25 29 A A < - 0 0 3 -4,-3.1 2,-0.3 -5,-0.1 32,-0.0 -0.354 67.3-139.0 -87.8 173.9 -8.7 9.7 8.5 26 30 A Q - 0 0 95 -2,-0.1 25,-0.1 -3,-0.1 34,-0.1 -0.949 25.4-101.8-133.3 147.3 -7.5 6.1 7.6 27 31 A V - 0 0 82 -2,-0.3 138,-0.0 1,-0.1 0, 0.0 -0.465 46.8-138.5 -66.7 140.6 -9.0 2.7 7.2 28 32 A T - 0 0 2 1,-0.1 21,-0.1 137,-0.1 -1,-0.1 -0.744 16.0-102.1-111.9 140.7 -8.3 0.8 10.4 29 33 A P - 0 0 45 0, 0.0 19,-1.8 0, 0.0 2,-0.5 -0.374 22.0-151.7 -62.2 152.5 -7.2 -2.7 10.7 30 34 A L E +A 47 0A 28 17,-0.2 2,-0.3 142,-0.1 17,-0.2 -0.869 26.9 176.5-125.0 89.9 -9.7 -5.3 11.7 31 35 A Q E -A 46 0A 65 15,-1.4 15,-2.9 -2,-0.5 2,-0.3 -0.671 26.5-118.2-104.6 157.0 -7.8 -8.0 13.5 32 36 A K E -A 45 0A 80 -2,-0.3 2,-0.8 13,-0.2 13,-0.2 -0.676 19.2-127.1 -92.0 142.9 -8.8 -11.1 15.2 33 37 A M > - 0 0 0 11,-2.5 4,-1.2 -2,-0.3 11,-0.3 -0.753 23.3-173.8 -88.9 107.0 -8.3 -11.9 18.8 34 38 A E H > S+ 0 0 123 -2,-0.8 4,-1.3 2,-0.1 -1,-0.2 0.971 77.6 42.3 -72.4 -47.5 -6.6 -15.2 19.0 35 39 A K H >> S+ 0 0 86 1,-0.2 4,-1.2 2,-0.2 3,-0.6 0.997 121.6 38.0 -60.7 -62.5 -6.5 -15.8 22.7 36 40 A L H >> S+ 0 0 3 1,-0.3 4,-2.6 2,-0.2 3,-0.5 0.872 112.7 54.7 -57.5 -47.9 -10.0 -14.6 23.5 37 41 A S H 3<>S+ 0 0 5 -4,-1.2 5,-1.1 1,-0.3 -1,-0.3 0.826 112.8 45.5 -55.4 -36.8 -11.7 -16.0 20.5 38 42 A S H <<5S+ 0 0 89 -4,-1.3 -1,-0.3 -3,-0.6 -2,-0.2 0.644 112.5 52.4 -78.1 -27.3 -10.3 -19.3 21.4 39 43 A R H <<5S+ 0 0 147 -4,-1.2 -2,-0.2 -3,-0.5 -3,-0.2 0.959 117.9 33.1 -69.5 -70.8 -11.3 -18.8 24.9 40 44 A L T <5S- 0 0 48 -4,-2.6 2,-0.4 2,-0.1 262,-0.1 -0.220 105.9-107.7 -71.4 176.9 -14.8 -18.0 24.3 41 45 A D T 5S+ 0 0 96 260,-0.3 262,-3.7 2,-0.1 2,-0.3 -0.382 81.0 69.3-119.6 72.9 -16.0 -19.8 21.4 42 46 A N S + 0 0 18 -19,-1.8 3,-1.1 -2,-1.3 -1,-0.1 -0.153 39.5 152.4 -58.7 55.2 -8.7 -0.9 15.7 49 53 A E G > + 0 0 0 -2,-4.2 3,-1.3 1,-0.3 -1,-0.2 0.617 55.5 81.3 -67.3 -8.0 -9.9 2.7 15.8 50 54 A D G 3 S+ 0 0 18 260,-0.3 -1,-0.3 1,-0.2 5,-0.1 0.405 77.1 77.0 -74.2 2.4 -7.1 3.8 18.0 51 55 A R G < + 0 0 140 -3,-1.1 -1,-0.2 -25,-0.1 -2,-0.1 0.429 64.4 104.3 -97.2 -6.8 -4.9 4.0 15.0 52 56 A Q S X S- 0 0 3 -3,-1.3 3,-1.4 1,-0.1 -27,-0.1 -0.143 90.7-102.6 -59.3 168.5 -6.3 7.2 13.6 53 57 A P T 3 S+ 0 0 38 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.486 125.9 48.6 -82.7 1.9 -3.8 10.2 14.2 54 58 A V T 3 S- 0 0 0 2,-0.3 259,-0.2 66,-0.0 260,-0.1 -0.068 116.0-119.1-126.8 23.3 -5.9 11.4 16.9 55 59 A H S < S+ 0 0 89 -3,-1.4 258,-0.5 257,-0.1 2,-0.3 0.531 83.8 56.4 47.7 13.3 -6.0 7.9 18.4 56 60 A S S S- 0 0 0 256,-0.2 3,-0.4 257,-0.1 -2,-0.3 -0.887 90.6 -97.8-149.2-169.9 -9.8 7.6 18.2 57 61 A F S > S+ 0 0 18 254,-1.3 3,-2.9 -2,-0.3 4,-0.3 0.792 89.5 95.7 -86.9 -28.5 -12.6 7.7 15.9 58 62 A K T 3> S+ 0 0 29 1,-0.3 4,-1.9 253,-0.2 5,-0.2 0.644 71.4 76.2 -32.0 -32.7 -13.9 11.3 16.4 59 63 A L H 3> S+ 0 0 0 -3,-0.4 4,-2.1 1,-0.2 -1,-0.3 0.800 86.5 62.3 -52.0 -39.4 -11.8 12.4 13.4 60 64 A R H <> S+ 0 0 0 -3,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.973 109.7 34.3 -52.1 -68.3 -14.3 10.9 11.0 61 65 A G H > S+ 0 0 0 -4,-0.3 4,-2.2 2,-0.2 5,-0.3 0.711 116.1 52.0 -63.7 -35.2 -17.3 12.9 11.9 62 66 A A H X S+ 0 0 1 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.941 113.8 47.9 -69.5 -39.4 -15.7 16.2 12.7 63 67 A Y H X S+ 0 0 8 -4,-2.1 4,-1.5 -5,-0.2 -2,-0.2 0.846 113.1 46.7 -63.6 -44.4 -14.0 15.9 9.3 64 68 A A H >X S+ 0 0 3 -4,-2.4 4,-1.7 -5,-0.2 3,-0.6 0.996 117.7 40.8 -63.4 -59.2 -17.1 15.0 7.5 65 69 A M H 3< S+ 0 0 3 -4,-2.2 -2,-0.2 1,-0.3 3,-0.2 0.917 120.4 43.7 -52.8 -50.8 -19.2 17.8 9.1 66 70 A M H >X S+ 0 0 4 -4,-2.9 4,-0.7 -5,-0.3 3,-0.6 0.679 110.9 53.6 -68.2 -29.5 -16.5 20.4 8.9 67 71 A A H << S+ 0 0 18 -4,-1.5 -1,-0.2 -3,-0.6 -2,-0.2 0.805 108.7 48.4 -86.2 -16.3 -15.4 19.6 5.5 68 72 A G T 3< S+ 0 0 20 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.180 99.1 68.6-105.6 19.7 -18.8 19.9 4.0 69 73 A L T X4 S+ 0 0 12 -3,-0.6 3,-3.2 -68,-0.1 -1,-0.2 0.770 83.1 71.0 -91.6 -52.6 -19.5 23.3 5.7 70 74 A T T 3< S+ 0 0 55 -4,-0.7 5,-0.1 1,-0.3 -2,-0.1 0.623 72.5 83.8 -46.4 -23.2 -17.0 25.2 3.6 71 75 A E T 3 S+ 0 0 154 -4,-0.2 2,-0.5 2,-0.1 -1,-0.3 0.718 97.4 53.9 -51.4 -22.4 -19.4 24.7 0.5 72 76 A E S < S- 0 0 96 -3,-3.2 2,-2.4 2,-0.1 4,-0.1 -0.958 108.5-122.8-105.1 120.0 -20.6 27.8 2.5 73 77 A Q S S+ 0 0 171 -2,-0.5 -3,-0.1 1,-0.2 -2,-0.1 -0.608 76.8 122.2 -72.9 88.5 -17.7 30.1 2.9 74 78 A K + 0 0 32 -2,-2.4 4,-0.4 2,-0.1 -1,-0.2 -0.480 56.2 68.8-147.2 48.1 -18.2 29.9 6.7 75 79 A A S S+ 0 0 16 2,-0.2 25,-0.5 -5,-0.1 4,-0.1 0.241 95.8 55.3-135.7 -31.8 -14.9 28.6 7.5 76 80 A H S S+ 0 0 174 -4,-0.1 -2,-0.1 2,-0.1 -3,-0.1 0.914 112.6 44.6 -61.2 -43.7 -13.8 32.0 6.5 77 81 A G S S- 0 0 36 1,-0.2 2,-0.2 70,-0.0 -2,-0.2 0.967 116.4-139.4 -58.7 -85.1 -16.4 32.5 9.2 78 82 A V - 0 0 18 -4,-0.4 70,-0.6 68,-0.2 2,-0.3 -0.900 9.1-103.6 151.1-173.8 -15.0 29.7 11.5 79 83 A I E +fg 101 148B 2 21,-1.5 23,-1.9 68,-0.3 2,-0.3 -0.996 22.9 178.0-148.1 155.3 -15.7 26.8 14.0 80 84 A T E +fg 102 149B 0 68,-2.2 70,-1.6 -2,-0.3 23,-0.2 -0.997 5.0 164.7-154.0 146.5 -15.7 26.1 17.8 81 85 A A E -f 103 0B 0 21,-1.9 23,-3.1 -2,-0.3 2,-0.3 -0.747 29.4-123.2-139.7-164.2 -16.4 23.2 20.3 82 86 A S E +f 104 0B 6 68,-0.2 2,-0.2 -2,-0.2 23,-0.2 -0.899 55.0 69.0-148.8 118.0 -15.7 22.4 24.0 83 87 A A - 0 0 25 21,-0.5 20,-0.0 -2,-0.3 -2,-0.0 -0.804 63.8-100.4-174.2-149.1 -13.9 19.3 25.1 84 88 A G S S+ 0 0 18 -2,-0.2 -1,-0.1 21,-0.1 33,-0.1 0.303 104.9 20.2-149.0 -52.6 -11.0 16.7 25.7 85 89 A N S S+ 0 0 28 2,-0.1 4,-0.4 3,-0.1 -27,-0.1 0.611 131.6 38.9-105.3 -21.6 -11.0 13.8 23.2 86 90 A H S > S+ 0 0 10 2,-0.2 4,-1.9 3,-0.1 5,-0.2 0.464 102.8 69.3-101.2 -20.0 -13.2 15.3 20.4 87 91 A A H > S+ 0 0 0 1,-0.2 4,-1.6 2,-0.2 -2,-0.1 0.701 98.9 56.2 -70.3 -21.2 -11.6 18.7 20.7 88 92 A Q H > S+ 0 0 14 2,-0.2 4,-2.9 3,-0.1 5,-0.3 0.922 101.7 52.1 -73.2 -47.0 -8.8 16.7 19.4 89 93 A G H > S+ 0 0 0 -4,-0.4 4,-2.1 1,-0.2 -2,-0.2 0.904 112.9 45.5 -54.4 -46.3 -10.7 15.6 16.3 90 94 A V H X S+ 0 0 0 -4,-1.9 4,-3.2 2,-0.2 5,-0.2 0.934 111.1 52.9 -65.7 -46.5 -11.7 19.1 15.5 91 95 A A H X S+ 0 0 0 -4,-1.6 4,-2.3 1,-0.2 31,-0.4 0.966 110.7 46.1 -50.2 -61.5 -8.3 20.4 16.0 92 96 A F H X S+ 0 0 27 -4,-2.9 4,-1.3 1,-0.2 -1,-0.2 0.873 117.2 45.7 -49.9 -43.5 -6.8 17.9 13.7 93 97 A S H X S+ 0 0 0 -4,-2.1 4,-2.1 -5,-0.3 -1,-0.2 0.817 107.0 57.0 -66.2 -45.7 -9.5 18.7 11.2 94 98 A S H <>S+ 0 0 4 -4,-3.2 5,-2.5 1,-0.2 4,-0.2 0.935 108.3 48.4 -59.0 -39.4 -9.3 22.4 11.4 95 99 A A H ><5S+ 0 0 58 -4,-2.3 3,-0.7 -5,-0.2 -1,-0.2 0.880 108.6 50.9 -68.5 -40.7 -5.7 22.3 10.6 96 100 A R H 3<5S+ 0 0 144 -4,-1.3 -1,-0.2 1,-0.3 -2,-0.2 0.834 116.5 41.2 -63.6 -36.9 -6.1 20.1 7.6 97 101 A L T 3<5S- 0 0 44 -4,-2.1 -1,-0.3 2,-0.2 -2,-0.2 0.312 108.5-125.0 -90.8 2.0 -8.8 22.3 6.1 98 102 A G T < 5 + 0 0 68 -3,-0.7 2,-0.5 -4,-0.2 -3,-0.2 0.909 64.7 140.7 52.9 40.0 -7.0 25.4 7.1 99 103 A V < - 0 0 11 -5,-2.5 -1,-0.2 -6,-0.2 2,-0.2 -0.988 57.0-115.9-115.8 123.9 -10.1 26.5 8.9 100 104 A K - 0 0 153 -2,-0.5 -21,-1.5 -25,-0.5 2,-0.3 -0.381 35.5-168.1 -65.1 128.4 -9.5 28.2 12.2 101 105 A A E -f 79 0B 4 -2,-0.2 22,-1.4 -23,-0.2 2,-0.5 -0.867 10.8-155.8-119.7 150.9 -10.9 26.3 15.2 102 106 A L E -fh 80 123B 27 -23,-1.9 -21,-1.9 -2,-0.3 2,-0.6 -0.982 5.0-159.9-134.0 129.8 -11.4 27.2 18.7 103 107 A I E -fh 81 124B 0 20,-3.1 22,-2.0 -2,-0.5 2,-0.6 -0.902 3.4-158.5-110.9 115.6 -11.6 24.9 21.5 104 108 A V E +fh 82 125B 0 -23,-3.1 -21,-0.5 -2,-0.6 22,-0.2 -0.760 19.0 168.0 -97.8 132.2 -13.2 25.8 24.7 105 109 A M - 0 0 0 20,-2.0 4,-0.1 -2,-0.6 -21,-0.1 -0.908 40.7 -82.8-132.7 160.0 -12.3 23.9 27.8 106 110 A P - 0 0 25 0, 0.0 3,-0.5 0, 0.0 -1,-0.2 0.143 46.6-108.7 -48.6 170.4 -12.8 24.2 31.6 107 111 A T S S+ 0 0 75 1,-0.2 2,-0.3 23,-0.1 3,-0.1 0.798 112.6 37.7 -78.6 -32.7 -10.4 26.4 33.5 108 112 A A S S+ 0 0 93 1,-0.1 -1,-0.2 21,-0.1 19,-0.0 -0.584 75.7 136.0-123.6 73.6 -8.5 23.6 35.2 109 113 A T - 0 0 33 -3,-0.5 -1,-0.1 -2,-0.3 -2,-0.1 0.993 66.0 -83.7 -76.9 -76.3 -8.4 21.0 32.6 110 114 A A >> - 0 0 40 -3,-0.1 4,-1.7 1,-0.0 3,-1.6 -0.270 21.5-121.9 157.2 109.9 -4.9 19.5 32.6 111 115 A D H 3> S+ 0 0 127 1,-0.3 4,-1.7 2,-0.2 3,-0.2 0.798 111.8 59.1 -23.2 -56.9 -1.7 20.7 30.8 112 116 A I H 3> S+ 0 0 102 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.836 108.9 39.6 -44.8 -52.3 -1.6 17.3 29.0 113 117 A K H <> S+ 0 0 65 -3,-1.6 4,-1.2 2,-0.2 -1,-0.2 0.638 114.8 54.9 -74.1 -25.5 -5.0 17.6 27.3 114 118 A V H X S+ 0 0 7 -4,-1.7 4,-1.8 -3,-0.2 -2,-0.2 0.728 108.8 46.8 -81.2 -27.5 -4.5 21.2 26.6 115 119 A D H X S+ 0 0 76 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.740 105.7 58.4 -87.1 -27.2 -1.3 20.7 24.8 116 120 A A H X S+ 0 0 30 -4,-0.9 4,-3.0 2,-0.2 5,-0.2 0.962 112.7 41.1 -66.0 -48.9 -2.6 17.8 22.7 117 121 A V H X S+ 0 0 0 -4,-1.2 4,-2.1 1,-0.2 -2,-0.2 0.999 115.9 46.9 -62.1 -62.7 -5.2 20.0 21.3 118 122 A R H < S+ 0 0 138 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.891 114.3 55.5 -41.7 -41.2 -2.9 22.9 21.0 119 123 A G H < S+ 0 0 52 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.978 101.6 50.1 -51.4 -78.0 -0.7 20.3 19.5 120 124 A F H < S- 0 0 62 -4,-3.0 2,-0.2 -5,-0.1 -1,-0.2 0.769 129.9 -88.9 -31.8 -44.2 -3.0 19.0 16.7 121 125 A G S < S+ 0 0 28 -4,-2.1 -29,-0.1 1,-0.3 -30,-0.1 -0.592 83.3 114.4 175.0-101.4 -3.5 22.5 15.8 122 126 A G - 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0 0 19 -4,-1.4 3,-0.7 -5,-0.2 -1,-0.3 -0.611 59.2-178.6-167.4 95.9 -15.5 -9.0 6.9 174 178 A A T 3 S+ 0 0 49 1,-0.2 -4,-0.1 -3,-0.2 -3,-0.1 0.588 75.6 76.8 -81.7 -2.5 -18.9 -9.5 5.5 175 179 A H T 3 + 0 0 154 -5,-0.0 -1,-0.2 2,-0.0 130,-0.2 0.085 68.4 137.5 -91.2 24.9 -19.4 -12.8 7.3 176 180 A L < - 0 0 10 -3,-0.7 130,-0.2 1,-0.1 3,-0.1 -0.406 33.4-175.1 -72.2 143.7 -20.1 -10.8 10.6 177 181 A D + 0 0 59 128,-2.7 27,-2.4 1,-0.5 2,-0.3 0.777 67.2 8.8-103.6 -50.6 -23.0 -11.9 12.8 178 182 A R E -cd 204 306A 35 127,-1.1 129,-1.9 25,-0.2 -1,-0.5 -0.990 58.7-158.5-135.8 148.7 -23.1 -9.3 15.5 179 183 A V E -cd 205 307A 1 25,-2.9 27,-2.0 -2,-0.3 2,-0.5 -0.998 10.4-147.2-129.2 131.8 -21.4 -6.0 16.1 180 184 A F E -cd 206 308A 1 127,-2.8 129,-0.9 -2,-0.4 27,-0.2 -0.848 16.2-168.5-105.0 132.0 -20.9 -4.3 19.5 181 185 A V E -c 207 0A 0 25,-2.6 27,-3.2 -2,-0.5 8,-0.1 -0.949 18.8-126.4-127.1 128.7 -20.9 -0.4 19.7 182 186 A P E -c 208 0A 8 0, 0.0 2,-0.5 0, 0.0 7,-0.2 -0.358 21.9-145.1 -69.6 146.5 -20.0 1.9 22.5 183 187 A V + 0 0 0 25,-1.3 27,-0.4 1,-0.1 32,-0.3 -0.821 41.8 134.5-127.9 99.3 -22.5 4.5 23.6 184 188 A G S S- 0 0 10 -2,-0.5 56,-0.2 55,-0.1 31,-0.2 0.783 97.2 -19.4 -92.9 -88.8 -21.6 7.9 24.8 185 189 A G S S- 0 0 6 52,-0.2 59,-2.9 58,-0.1 -32,-0.1 0.719 98.8-108.7 -92.9 -27.5 -23.9 10.5 23.1 186 190 A G S > S+ 0 0 4 57,-0.2 4,-2.5 58,-0.1 5,-0.2 0.424 80.4 125.4 113.9 7.0 -24.7 8.0 20.4 187 191 A G H > S+ 0 0 5 1,-0.2 4,-3.3 2,-0.2 5,-0.3 0.983 79.4 41.5 -54.0 -63.8 -22.9 9.3 17.3 188 192 A L H > S+ 0 0 9 1,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.786 117.3 44.5 -54.1 -44.5 -21.0 6.2 16.6 189 193 A A H > S+ 0 0 0 -7,-0.2 4,-2.6 2,-0.2 -1,-0.3 0.915 113.5 53.3 -74.0 -35.7 -23.7 3.7 17.2 190 194 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 5,-0.2 0.979 113.0 41.2 -60.3 -50.4 -26.1 5.9 15.4 191 195 A G H X S+ 0 0 3 -4,-3.3 4,-1.2 1,-0.2 -1,-0.2 0.828 115.1 53.0 -66.3 -33.0 -23.9 6.0 12.2 192 196 A V H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 5,-0.4 0.929 109.5 47.1 -69.0 -42.6 -23.0 2.3 12.5 193 197 A A H X S+ 0 0 0 -4,-2.6 4,-4.3 1,-0.2 5,-0.4 0.993 107.7 51.6 -62.8 -66.5 -26.6 1.1 12.7 194 198 A V H X S+ 0 0 3 -4,-1.7 4,-2.2 -5,-0.2 5,-0.2 0.907 114.1 47.9 -34.4 -57.3 -28.1 3.0 9.8 195 199 A L H >X S+ 0 0 3 -4,-1.2 4,-2.2 -5,-0.2 3,-2.0 0.975 116.0 37.4 -52.9 -79.5 -25.4 1.8 7.6 196 200 A I H 3X S+ 0 0 0 -4,-1.6 4,-0.5 1,-0.3 -1,-0.2 0.895 114.6 58.7 -37.0 -49.7 -25.3 -1.8 8.3 197 201 A K H 3< S+ 0 0 38 -4,-4.3 -1,-0.3 -5,-0.4 -2,-0.2 0.894 112.1 39.8 -57.3 -32.1 -29.0 -1.8 8.6 198 202 A Q H << S+ 0 0 72 -4,-2.2 -2,-0.2 -3,-2.0 -1,-0.2 0.955 127.3 32.0 -74.4 -59.3 -29.2 -0.5 5.0 199 203 A L H < S+ 0 0 68 -4,-2.2 -3,-0.2 1,-0.2 -2,-0.1 0.994 135.8 14.2 -63.6 -76.1 -26.5 -2.6 3.5 200 204 A M >< + 0 0 69 -4,-0.5 3,-2.3 1,-0.2 -1,-0.2 -0.626 61.7 179.4-117.8 91.5 -26.7 -5.8 5.6 201 205 A P T 3 S+ 0 0 73 0, 0.0 -1,-0.2 0, 0.0 -4,-0.1 0.772 74.6 68.3 -48.1 -45.3 -29.8 -6.1 7.6 202 206 A Q T 3 S+ 0 0 193 -6,-0.1 2,-0.5 2,-0.1 -5,-0.1 0.606 77.4 108.4 -60.2 -6.0 -29.0 -9.5 9.1 203 207 A I < - 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