==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-DEC-11 3VM6 . COMPND 2 MOLECULE: TRANSLATION INITIATION FACTOR EIF-2B, DELTA SUBUN . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOCOCCUS KODAKARENSIS; . AUTHOR A.NAKAMURA,M.FUJIHASHI,R.AONO,T.SATO,Y.NISHIBA,S.YOSHIDA,A.Y . 963 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 40223.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 725 75.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 72 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 42 4.4 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 . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 1 0.1 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 . 59 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 132 13.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 372 38.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.1 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 4 0 0 0 2 1 3 7 3 0 0 0 2 2 3 0 1 0 0 0 0 0 0 0 0 0 3 RESIDUES PER ALPHA HELIX . 3 3 3 9 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 . 3 3 3 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 3 0 0 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 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 2 A A 0 0 95 0, 0.0 2,-0.1 0, 0.0 40,-0.1 0.000 360.0 360.0 360.0 -29.6 57.3 81.0 37.3 2 3 A V - 0 0 23 1,-0.1 49,-0.1 37,-0.1 33,-0.0 -0.422 360.0-100.4 -77.8 154.3 58.8 77.9 35.8 3 4 A V > - 0 0 24 47,-0.2 4,-1.0 -2,-0.1 -1,-0.1 -0.047 31.4-111.4 -64.2 172.5 62.6 77.3 35.8 4 5 A K H > S+ 0 0 143 2,-0.2 4,-1.5 1,-0.1 3,-0.4 0.968 111.6 57.1 -72.0 -54.6 64.6 78.1 32.7 5 6 A E H > S+ 0 0 42 1,-0.2 4,-2.1 2,-0.2 3,-0.5 0.859 102.1 55.1 -43.5 -50.1 65.5 74.5 31.8 6 7 A V H > S+ 0 0 0 1,-0.2 4,-2.3 2,-0.2 3,-0.4 0.947 106.5 51.6 -52.8 -51.9 61.9 73.3 31.6 7 8 A L H X S+ 0 0 89 -4,-1.0 4,-1.1 -3,-0.4 -1,-0.2 0.800 113.5 43.9 -56.9 -33.1 61.1 76.0 29.0 8 9 A E H X S+ 0 0 63 -4,-1.5 4,-1.9 -3,-0.5 -1,-0.2 0.721 108.7 53.7 -88.3 -22.6 64.0 75.0 26.8 9 10 A I H X S+ 0 0 17 -4,-2.1 4,-1.1 -3,-0.4 -2,-0.2 0.884 110.5 51.2 -73.1 -35.2 63.5 71.3 27.0 10 11 A A H X S+ 0 0 8 -4,-2.3 4,-2.0 -5,-0.3 3,-0.3 0.888 109.6 50.0 -64.1 -39.1 60.0 72.2 25.9 11 12 A E H X S+ 0 0 97 -4,-1.1 4,-0.9 1,-0.2 -1,-0.2 0.846 107.4 52.0 -68.5 -36.6 61.5 74.2 23.0 12 13 A K H <>S+ 0 0 65 -4,-1.9 6,-2.1 2,-0.2 5,-1.5 0.679 110.0 50.6 -73.7 -19.1 63.8 71.4 21.9 13 14 A I H ><5S+ 0 0 0 -4,-1.1 3,-1.2 -3,-0.3 -2,-0.2 0.896 106.6 54.5 -80.5 -43.9 60.7 69.1 21.8 14 15 A K H 3<5S+ 0 0 114 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.670 116.9 36.3 -60.4 -24.3 58.8 71.6 19.7 15 16 A N T 3<5S- 0 0 81 -4,-0.9 -1,-0.2 -5,-0.1 -2,-0.2 0.220 110.5-117.4-115.0 8.8 61.5 71.8 17.0 16 17 A M T < 5S+ 0 0 19 -3,-1.2 3,-0.2 2,-0.3 -3,-0.2 0.726 73.7 134.0 60.1 27.7 62.5 68.1 17.2 17 18 A E S > S- 0 0 19 -2,-0.3 4,-2.4 3,-0.1 3,-0.6 0.606 73.0-107.1 102.3 103.2 61.2 59.9 19.2 21 22 A A H 3> S+ 0 0 4 1,-0.2 4,-1.9 2,-0.2 5,-0.1 0.707 117.5 46.3 -24.2 -53.9 58.2 59.2 21.4 22 23 A G H 3> S+ 0 0 10 2,-0.2 4,-1.8 1,-0.2 3,-0.3 0.960 114.4 44.0 -61.0 -56.2 60.2 57.4 24.0 23 24 A K H <> S+ 0 0 99 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.828 112.8 55.1 -58.4 -35.9 63.1 60.0 24.3 24 25 A I H X S+ 0 0 5 -4,-2.4 4,-2.0 2,-0.2 -1,-0.2 0.878 105.4 51.7 -65.3 -40.7 60.5 62.7 24.3 25 26 A A H X S+ 0 0 0 -4,-1.9 4,-1.6 -5,-0.3 -2,-0.2 0.868 114.1 43.0 -65.3 -38.8 58.6 61.2 27.3 26 27 A R H X S+ 0 0 44 -4,-1.8 4,-3.5 2,-0.2 5,-0.3 0.920 110.1 54.8 -74.1 -44.9 61.8 61.0 29.3 27 28 A S H X S+ 0 0 21 -4,-2.7 4,-2.4 1,-0.2 -2,-0.2 0.923 110.2 49.2 -52.8 -41.3 63.0 64.4 28.4 28 29 A A H X S+ 0 0 0 -4,-2.0 4,-2.0 2,-0.2 -1,-0.2 0.892 111.8 47.0 -64.4 -41.4 59.6 65.6 29.6 29 30 A A H X S+ 0 0 0 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.900 111.0 52.0 -67.0 -42.4 60.0 63.6 32.9 30 31 A Y H X S+ 0 0 114 -4,-3.5 4,-2.7 1,-0.2 5,-0.2 0.937 107.0 54.6 -58.2 -47.3 63.5 65.0 33.4 31 32 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 -5,-0.3 -2,-0.2 0.936 105.5 50.1 -52.7 -53.2 62.2 68.5 32.9 32 33 A L H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.3 0.867 110.0 53.7 -56.3 -33.3 59.6 68.1 35.6 33 34 A Q H X S+ 0 0 19 -4,-1.8 4,-3.1 1,-0.2 -2,-0.2 0.982 106.6 49.6 -63.9 -55.1 62.5 66.8 37.8 34 35 A L H X S+ 0 0 12 -4,-2.7 4,-3.3 2,-0.2 -1,-0.2 0.808 109.7 53.7 -53.0 -34.7 64.6 70.0 37.0 35 36 A Q H X S+ 0 0 0 -4,-2.2 4,-0.9 -5,-0.2 -1,-0.2 0.992 116.1 35.9 -64.4 -59.5 61.6 72.1 38.0 36 37 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.780 122.7 49.5 -62.7 -27.1 61.1 70.5 41.4 37 38 A E H < S+ 0 0 86 -4,-3.1 -2,-0.2 -5,-0.2 -3,-0.2 0.969 122.3 27.9 -76.4 -56.6 64.9 70.2 41.6 38 39 A K H < S+ 0 0 100 -4,-3.3 -2,-0.2 -5,-0.2 -1,-0.2 0.209 94.2 124.6 -90.8 12.4 65.9 73.8 40.8 39 40 A S < - 0 0 14 -4,-0.9 -3,-0.1 1,-0.1 -37,-0.1 -0.155 45.1-162.8 -68.0 168.7 62.7 75.4 42.0 40 41 A K + 0 0 186 7,-0.0 -1,-0.1 3,-0.0 -4,-0.1 0.223 32.5 150.0-134.2 8.9 62.7 78.2 44.6 41 42 A A - 0 0 10 1,-0.2 3,-0.0 -40,-0.1 -2,-0.0 -0.148 32.6-160.0 -43.9 138.2 59.1 78.1 45.6 42 43 A T S S+ 0 0 133 47,-0.0 2,-0.3 5,-0.0 -1,-0.2 0.239 73.6 41.6-108.5 9.4 59.0 79.2 49.2 43 44 A N S > S- 0 0 76 1,-0.1 4,-0.8 46,-0.1 -3,-0.0 -0.871 76.8-129.8-144.4 169.1 55.6 77.7 49.9 44 45 A V H > S+ 0 0 27 -2,-0.3 4,-2.5 2,-0.2 5,-0.3 0.884 105.7 54.4 -93.2 -47.9 54.1 74.3 48.9 45 46 A D H 4 S+ 0 0 86 1,-0.2 -1,-0.1 2,-0.2 -4,-0.0 0.750 113.9 47.6 -56.5 -22.9 50.7 75.5 47.5 46 47 A E H >> S+ 0 0 87 2,-0.2 4,-2.1 3,-0.1 3,-1.2 0.892 108.1 53.2 -82.8 -46.1 52.9 77.7 45.3 47 48 A F H 3< S+ 0 0 0 -4,-0.8 -2,-0.2 1,-0.3 5,-0.2 0.970 106.7 51.2 -50.3 -62.7 55.3 74.8 44.3 48 49 A W T 3X S+ 0 0 9 -4,-2.5 4,-1.4 1,-0.2 3,-0.3 0.657 108.2 57.7 -51.0 -16.6 52.4 72.6 43.2 49 50 A K H <> S+ 0 0 87 -3,-1.2 4,-1.7 -5,-0.3 3,-0.4 0.967 104.7 45.8 -77.9 -61.9 51.4 75.6 41.1 50 51 A E H < S+ 0 0 13 -4,-2.1 4,-0.2 1,-0.2 -47,-0.2 0.223 112.3 56.3 -66.9 17.7 54.6 76.0 39.2 51 52 A M H > S+ 0 0 0 -3,-0.3 4,-2.4 -5,-0.2 -1,-0.2 0.688 105.5 45.5-111.1 -49.3 54.5 72.3 38.6 52 53 A K H X S+ 0 0 23 -4,-1.4 4,-1.7 -3,-0.4 -2,-0.2 0.749 115.6 53.9 -63.9 -20.8 51.0 72.2 37.0 53 54 A Q H X S+ 0 0 85 -4,-1.7 4,-1.4 2,-0.2 -1,-0.2 0.923 111.0 40.1 -79.3 -49.9 52.4 75.2 35.0 54 55 A A H > S+ 0 0 0 -4,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.755 116.3 53.3 -72.8 -22.3 55.6 73.5 33.8 55 56 A A H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 5,-0.2 0.964 110.3 45.4 -73.3 -54.1 53.6 70.3 33.1 56 57 A K H X S+ 0 0 82 -4,-1.7 4,-1.0 263,-0.2 -2,-0.2 0.766 110.5 56.1 -59.5 -27.1 51.0 72.1 31.1 57 58 A I H >< S+ 0 0 48 -4,-1.4 3,-0.5 2,-0.2 -1,-0.2 0.964 111.5 42.0 -69.5 -49.7 53.8 73.9 29.2 58 59 A L H >< S+ 0 0 0 -4,-1.7 3,-1.5 1,-0.2 4,-0.4 0.889 107.8 60.6 -61.7 -42.8 55.4 70.6 28.2 59 60 A F H 3< S+ 0 0 73 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.830 101.0 57.3 -54.4 -33.5 52.0 69.0 27.4 60 61 A E T << S+ 0 0 116 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.1 -0.104 84.7 85.9 -91.6 33.6 51.6 71.7 24.8 61 62 A T S < S- 0 0 16 -3,-1.5 -1,-0.2 1,-0.5 -2,-0.1 0.883 105.6 -10.6 -94.4 -67.3 54.7 70.9 22.8 62 63 A R - 0 0 19 -4,-0.4 -1,-0.5 -3,-0.1 -48,-0.1 -0.958 59.3-158.2-131.1 149.3 53.7 68.2 20.4 63 64 A P S S+ 0 0 53 0, 0.0 186,-0.2 0, 0.0 -1,-0.1 0.765 70.2 71.5-103.3 -26.9 50.3 66.3 20.5 64 65 A T S S+ 0 0 1 184,-0.1 2,-0.5 2,-0.0 146,-0.1 0.931 83.0 68.6 -58.3 -56.2 50.5 62.9 18.7 65 66 A A > - 0 0 11 1,-0.2 3,-1.1 137,-0.1 137,-0.2 -0.544 59.5-164.2 -71.3 118.3 52.7 60.8 21.0 66 67 A V T 3> S+ 0 0 3 135,-1.3 4,-2.9 -2,-0.5 5,-0.3 0.775 78.4 87.5 -71.5 -24.4 50.9 60.0 24.2 67 68 A S H 3> S+ 0 0 0 134,-0.9 4,-2.4 1,-0.2 -1,-0.2 0.830 89.5 52.4 -42.6 -33.4 54.2 59.0 25.7 68 69 A L H <> S+ 0 0 2 -3,-1.1 4,-2.6 2,-0.2 -1,-0.2 0.987 113.2 36.1 -72.3 -61.2 54.5 62.7 26.6 69 70 A P H > S+ 0 0 10 0, 0.0 4,-1.5 0, 0.0 -1,-0.2 0.724 118.6 56.9 -67.4 -11.3 51.2 63.3 28.4 70 71 A N H X S+ 0 0 7 -4,-2.9 4,-2.3 166,-0.2 -2,-0.2 0.923 108.1 42.8 -80.3 -46.7 51.7 59.7 29.8 71 72 A A H X S+ 0 0 0 -4,-2.4 4,-1.7 -5,-0.3 5,-0.2 0.967 115.2 52.7 -60.0 -48.7 55.1 60.4 31.4 72 73 A L H X S+ 0 0 0 -4,-2.6 4,-2.4 1,-0.2 5,-0.3 0.885 108.7 49.1 -51.5 -46.1 53.7 63.7 32.6 73 74 A R H X S+ 0 0 18 -4,-1.5 4,-3.3 -5,-0.2 5,-0.3 0.914 105.5 58.8 -62.1 -42.8 50.8 62.0 34.2 74 75 A Y H X S+ 0 0 52 -4,-2.3 4,-0.5 2,-0.2 -1,-0.2 0.847 114.4 34.5 -55.5 -41.9 53.0 59.5 35.9 75 76 A V H >X S+ 0 0 0 -4,-1.7 4,-1.7 -3,-0.2 3,-0.5 0.936 122.3 44.2 -80.4 -50.6 55.0 62.1 37.8 76 77 A M H 3X S+ 0 0 0 -4,-2.4 4,-3.6 1,-0.2 5,-0.3 0.892 106.4 60.6 -61.1 -42.7 52.2 64.7 38.4 77 78 A H H 3X S+ 0 0 33 -4,-3.3 4,-1.8 -5,-0.3 -1,-0.2 0.843 108.1 46.3 -54.9 -34.0 49.7 61.9 39.5 78 79 A R H X S+ 0 0 19 -4,-2.3 3,-3.3 2,-0.2 4,-0.7 0.995 116.5 47.5 -58.1 -75.4 50.9 63.4 47.9 83 84 A Y H >X S+ 0 0 52 -4,-2.6 3,-1.9 1,-0.3 4,-0.8 0.814 107.7 53.7 -33.0 -61.2 49.9 67.1 47.9 84 85 A S H 3< S+ 0 0 81 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.550 106.9 56.5 -60.4 -3.3 46.2 66.7 48.3 85 86 A S H <4 S- 0 0 107 -3,-3.3 -1,-0.3 -4,-0.2 -2,-0.2 0.653 134.4 -82.2 -99.5 -19.8 47.1 64.5 51.4 86 87 A G H << - 0 0 60 -3,-1.9 -3,-0.2 -4,-0.7 -2,-0.2 0.639 58.2-170.0 120.8 40.7 49.0 67.3 53.1 87 88 A A < - 0 0 13 -4,-0.8 -1,-0.1 -5,-0.4 -43,-0.0 -0.396 19.7-128.8 -66.5 131.6 52.4 67.1 51.5 88 89 A D > - 0 0 91 -2,-0.2 4,-2.1 1,-0.1 5,-0.2 -0.282 31.1-103.3 -68.5 163.8 55.1 69.2 53.2 89 90 A L H > S+ 0 0 35 1,-0.2 4,-1.6 2,-0.2 -1,-0.1 0.973 123.8 36.8 -54.7 -56.6 57.0 71.5 50.9 90 91 A E H > S+ 0 0 96 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.759 109.2 63.4 -68.9 -26.0 60.1 69.2 50.8 91 92 A Q H >> S+ 0 0 111 1,-0.2 4,-2.6 2,-0.2 3,-1.0 0.976 107.2 43.9 -60.5 -51.8 58.0 66.0 50.9 92 93 A L H 3X S+ 0 0 0 -4,-2.1 4,-2.7 1,-0.3 5,-0.2 0.865 106.3 59.6 -60.6 -41.6 56.5 67.0 47.5 93 94 A R H 3X S+ 0 0 47 -4,-1.6 4,-1.4 -5,-0.2 -1,-0.3 0.760 112.1 42.9 -61.4 -21.5 59.9 68.0 46.0 94 95 A F H X S+ 0 0 47 -4,-2.4 4,-2.5 2,-0.2 3,-0.6 0.960 106.7 47.5 -76.2 -54.8 61.4 60.5 42.5 99 100 A A H 3X S+ 0 0 2 -4,-2.6 4,-2.1 1,-0.3 5,-0.2 0.855 113.3 51.4 -54.5 -37.6 58.6 59.8 40.2 100 101 A A H 3X S+ 0 0 0 -4,-2.5 4,-1.4 2,-0.2 -1,-0.3 0.796 108.5 51.7 -71.6 -29.3 60.6 61.4 37.4 101 102 A K H X S+ 0 0 76 -4,-2.2 4,-1.8 1,-0.2 3,-0.7 0.972 104.6 58.1 -65.7 -56.2 64.3 49.1 31.3 110 111 A A H 3X S+ 0 0 4 -4,-3.3 4,-2.3 1,-0.3 5,-0.2 0.812 104.1 52.3 -43.5 -42.4 61.3 48.7 29.0 111 112 A L H 3X S+ 0 0 24 -4,-1.8 4,-2.7 2,-0.2 -1,-0.3 0.923 106.5 54.1 -65.4 -42.6 63.4 49.0 25.9 112 113 A E H < S+ 0 0 33 -4,-2.8 3,-0.5 1,-0.2 -1,-0.2 0.925 116.2 48.5 -67.5 -44.7 61.1 39.7 23.6 118 119 A G H >< S+ 0 0 0 -4,-2.9 3,-1.9 -5,-0.3 4,-0.3 0.865 102.8 60.0 -63.6 -39.6 61.1 41.0 20.1 119 120 A A H >< S+ 0 0 0 -4,-2.4 3,-1.4 1,-0.3 -1,-0.2 0.786 93.6 65.8 -59.4 -30.5 64.5 39.4 19.1 120 121 A K T << S+ 0 0 59 -4,-0.8 771,-0.3 -3,-0.5 -1,-0.3 0.581 98.8 55.5 -68.2 -9.1 63.0 36.0 19.8 121 122 A R T < S+ 0 0 14 -3,-1.9 2,-0.6 -4,-0.2 -1,-0.3 0.534 91.9 84.0 -97.3 -14.0 60.7 36.8 16.8 122 123 A I < - 0 0 1 -3,-1.4 2,-0.2 -4,-0.3 27,-0.1 -0.842 69.6-155.0 -96.6 117.7 63.7 37.4 14.5 123 124 A E > - 0 0 100 -2,-0.6 3,-2.1 1,-0.1 -2,-0.1 -0.574 31.5 -87.1 -91.9 154.1 65.2 34.3 12.9 124 125 A D T 3 S+ 0 0 112 1,-0.2 27,-0.1 -2,-0.2 -1,-0.1 -0.338 116.5 23.3 -58.1 133.6 68.7 33.8 11.7 125 126 A G T 3 S+ 0 0 44 25,-2.1 -1,-0.2 1,-0.3 26,-0.1 0.188 88.4 147.1 96.2 -17.7 68.9 35.0 8.1 126 127 A D < - 0 0 12 -3,-2.1 26,-1.1 1,-0.1 2,-0.7 -0.217 42.4-144.4 -57.1 136.0 65.9 37.3 8.3 127 128 A V E -a 152 0A 17 24,-0.2 67,-3.2 65,-0.1 68,-1.5 -0.917 21.9-161.3-102.5 114.0 65.8 40.5 6.2 128 129 A I E -ab 153 195A 0 24,-1.3 26,-3.1 -2,-0.7 2,-0.4 -0.824 7.1-157.9-103.2 137.9 64.0 43.1 8.3 129 130 A M E +ab 154 196A 0 66,-2.5 68,-1.9 -2,-0.4 2,-0.2 -0.908 17.6 175.0-110.5 141.4 62.5 46.3 6.9 130 131 A T E -a 155 0A 2 24,-2.5 26,-0.9 -2,-0.4 2,-0.3 -0.764 15.9-145.1-134.2 179.7 61.9 49.3 9.2 131 132 A H - 0 0 2 66,-0.4 68,-0.4 -2,-0.2 3,-0.2 -0.965 57.5 -8.5-147.2 159.3 60.8 52.9 8.9 132 133 A S S S- 0 0 6 24,-0.3 2,-0.4 -2,-0.3 24,-0.1 -0.061 97.0 -64.8 49.5-151.2 61.6 56.2 10.6 133 134 A H + 0 0 13 34,-0.1 2,-0.4 33,-0.1 -1,-0.1 -0.954 59.5 167.6-137.2 112.3 63.8 56.0 13.6 134 135 A S > - 0 0 18 -2,-0.4 4,-3.0 -3,-0.2 5,-0.3 -0.978 31.9-153.0-133.8 121.7 62.5 54.2 16.7 135 136 A K H > S+ 0 0 88 -2,-0.4 4,-2.1 1,-0.2 -1,-0.1 0.808 102.3 53.3 -58.8 -31.5 64.5 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0 0 87 -4,-1.6 -2,-0.2 1,-0.1 -3,-0.2 0.885 123.0 33.3 -81.8 -39.9 3.1 47.1 42.0 360 39 B K H < S+ 0 0 91 -4,-3.3 -3,-0.2 -5,-0.1 -2,-0.2 0.581 85.6 123.2 -93.6 -10.9 -0.3 45.8 41.0 361 40 B S < - 0 0 7 -4,-1.1 -37,-0.1 -5,-0.4 8,-0.1 -0.207 42.8-165.7 -51.7 137.7 0.2 42.2 42.2 362 41 B K + 0 0 197 7,-0.0 2,-0.4 2,-0.0 -1,-0.1 0.096 38.8 135.1-115.3 23.0 -2.6 41.3 44.6 363 42 B A - 0 0 10 1,-0.1 6,-0.1 3,-0.1 -2,-0.0 -0.590 40.9-160.9 -75.4 125.5 -1.0 38.1 46.0 364 43 B T S S+ 0 0 135 -2,-0.4 2,-0.4 4,-0.0 -1,-0.1 0.540 73.9 61.0 -84.5 -7.8 -1.3 38.0 49.8 365 44 B N S > S- 0 0 74 1,-0.1 4,-2.6 46,-0.1 3,-0.2 -0.970 77.7-135.3-124.3 135.0 1.5 35.4 50.2 366 45 B V H > S+ 0 0 24 -2,-0.4 4,-3.2 1,-0.2 5,-0.3 0.920 105.1 51.5 -53.7 -51.9 5.2 35.9 49.1 367 46 B D H > S+ 0 0 80 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.887 112.0 49.2 -54.0 -39.2 5.6 32.5 47.4 368 47 B E H > S+ 0 0 73 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.951 110.9 50.5 -63.3 -48.4 2.4 33.2 45.5 369 48 B F H >X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.942 110.8 47.0 -53.8 -54.3 3.9 36.6 44.6 370 49 B W H 3X S+ 0 0 7 -4,-3.2 4,-1.9 1,-0.3 -1,-0.2 0.844 108.9 56.1 -58.6 -34.5 7.2 35.1 43.4 371 50 B K H 3X S+ 0 0 74 -4,-2.0 4,-1.3 -5,-0.3 -1,-0.3 0.869 108.2 49.5 -65.3 -33.9 5.1 32.5 41.4 372 51 B E H < S+ 0 0 51 -4,-1.3 3,-0.5 2,-0.2 -2,-0.2 0.964 113.5 45.1 -72.3 -54.9 5.6 35.7 29.2 380 59 B L H >< S+ 0 0 0 -4,-2.1 3,-1.4 1,-0.2 4,-0.4 0.895 109.5 57.2 -55.1 -44.1 7.8 38.7 28.4 381 60 B F H 3< S+ 0 0 67 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.869 103.0 54.9 -57.3 -37.7 10.7 36.4 27.5 382 61 B E T << S+ 0 0 122 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.058 85.5 87.0 -88.9 25.9 8.7 34.6 24.9 383 62 B T S < S- 0 0 17 -3,-1.4 -1,-0.2 1,-0.4 -2,-0.1 0.946 105.1 -6.0 -84.2 -69.8 7.7 37.7 22.9 384 63 B R - 0 0 17 -4,-0.4 -1,-0.4 -3,-0.2 6,-0.1 -0.995 61.9-156.6-130.2 136.9 10.6 38.1 20.5 385 64 B P S S+ 0 0 53 0, 0.0 186,-0.1 0, 0.0 -1,-0.1 0.885 71.0 67.4 -80.2 -45.2 13.8 35.9 20.6 386 65 B T S S+ 0 0 2 184,-0.1 2,-0.4 2,-0.1 185,-0.1 0.862 79.7 71.8 -50.0 -62.4 16.7 37.8 18.9 387 66 B A > - 0 0 12 1,-0.2 3,-0.9 137,-0.1 137,-0.2 -0.472 58.0-162.7 -66.0 116.3 17.7 40.8 21.1 388 67 B V T 3> S+ 0 0 2 135,-1.0 4,-3.1 -2,-0.4 5,-0.3 0.715 80.5 83.8 -70.4 -20.3 19.4 39.7 24.4 389 68 B S H 3> S+ 0 0 0 134,-0.9 4,-1.8 1,-0.2 -1,-0.2 0.909 89.7 53.2 -47.3 -44.0 18.7 43.1 25.8 390 69 B L H <> S+ 0 0 3 -3,-0.9 4,-2.0 1,-0.2 3,-0.5 0.967 112.0 39.9 -59.3 -57.7 15.2 41.7 26.7 391 70 B P H > S+ 0 0 7 0, 0.0 4,-2.8 0, 0.0 -1,-0.2 0.866 114.5 55.4 -63.1 -31.0 16.4 38.6 28.5 392 71 B N H X S+ 0 0 6 -4,-3.1 4,-1.9 166,-0.3 -2,-0.2 0.802 107.0 48.4 -70.1 -29.7 19.2 40.6 30.2 393 72 B A H X S+ 0 0 0 -4,-1.8 4,-1.9 -3,-0.5 -1,-0.2 0.867 113.7 48.5 -75.2 -37.4 16.8 43.1 31.6 394 73 B L H X S+ 0 0 0 -4,-2.0 4,-2.9 -5,-0.2 5,-0.3 0.909 112.2 48.0 -66.3 -44.2 14.6 40.2 32.8 395 74 B R H X S+ 0 0 17 -4,-2.8 4,-2.8 1,-0.2 5,-0.3 0.890 108.6 55.7 -63.6 -40.7 17.7 38.5 34.4 396 75 B Y H X S+ 0 0 54 -4,-1.9 4,-1.0 2,-0.2 -2,-0.2 0.939 117.9 32.6 -57.6 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32.7 48.7 407 86 B S T 3<5S- 0 0 96 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.166 126.6-103.4 -75.6 18.7 16.9 34.9 51.6 408 87 B G T < 5 - 0 0 60 -3,-1.6 -3,-0.2 1,-0.1 -2,-0.2 0.903 54.3-168.6 61.5 44.0 13.5 34.5 52.9 409 88 B A < - 0 0 15 -5,-1.1 -1,-0.1 -4,-0.3 -43,-0.1 -0.272 19.9-113.3 -67.3 153.6 12.3 37.9 51.9 410 89 B D > - 0 0 90 1,-0.1 4,-1.4 -44,-0.1 5,-0.1 0.039 29.7-106.7 -67.8-176.8 9.0 39.3 53.1 411 90 B L H > S+ 0 0 28 2,-0.2 4,-2.3 3,-0.1 5,-0.1 0.918 124.5 37.1 -80.9 -49.4 6.1 39.9 50.7 412 91 B E H > S+ 0 0 94 2,-0.2 4,-2.7 1,-0.2 5,-0.1 0.846 115.8 55.7 -69.8 -33.2 6.6 43.6 50.8 413 92 B Q H > S+ 0 0 113 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.967 110.1 43.7 -62.5 -53.1 10.4 43.2 50.9 414 93 B L H X S+ 0 0 0 -4,-1.4 4,-2.4 1,-0.2 5,-0.2 0.936 112.8 53.3 -57.6 -47.6 10.5 41.1 47.8 415 94 B R H X S+ 0 0 44 -4,-2.3 4,-2.7 1,-0.2 5,-0.2 0.934 110.2 48.5 -51.9 -47.2 8.1 43.5 46.1 416 95 B F H X S+ 0 0 133 -4,-2.7 4,-1.5 1,-0.2 -1,-0.2 0.909 107.7 53.6 -60.7 -44.3 10.5 46.3 47.1 417 96 B V H X S+ 0 0 41 -4,-2.7 4,-1.2 1,-0.2 -1,-0.2 0.900 114.0 43.3 -57.3 -43.0 13.6 44.4 45.7 418 97 B I H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 3,-0.3 0.923 109.0 53.2 -71.3 -49.5 11.8 44.0 42.4 419 98 B I H X S+ 0 0 23 -4,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.781 114.9 45.9 -58.8 -25.4 10.4 47.5 42.0 420 99 B N H X S+ 0 0 61 -4,-1.5 4,-1.9 -5,-0.2 -1,-0.2 0.743 108.2 53.3 -88.1 -28.7 13.9 48.8 42.6 421 100 B A H X S+ 0 0 1 -4,-1.2 4,-2.0 -3,-0.3 -2,-0.2 0.867 112.9 46.1 -73.1 -36.1 15.7 46.5 40.3 422 101 B A H X S+ 0 0 0 -4,-2.4 4,-2.7 2,-0.2 5,-0.3 0.985 114.3 44.8 -68.3 -58.4 13.3 47.6 37.5 423 102 B K H X S+ 0 0 106 -4,-1.6 4,-2.7 1,-0.2 5,-0.2 0.904 114.1 52.8 -48.7 -48.4 13.6 51.3 38.2 424 103 B E H X S+ 0 0 87 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.890 111.5 44.1 -56.6 -46.7 17.4 50.8 38.5 425 104 B F H X S+ 0 0 10 -4,-2.0 4,-3.2 2,-0.2 3,-0.3 0.984 114.1 48.4 -64.2 -57.8 17.7 49.1 35.1 426 105 B I H X S+ 0 0 29 -4,-2.7 4,-1.6 1,-0.3 -2,-0.2 0.858 114.1 48.8 -49.6 -40.4 15.4 51.5 33.3 427 106 B H H X 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