==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION REGULATOR 29-JUL-08 3DZD . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR (NTRC FAMILY); . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR J.D.BATCHELOR,M.DOUCLEFF,C.-J.LEE,K.MATSUBARA,S.DE CARLO, . 736 2 2 2 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35474.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 536 72.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 13.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 18 2.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 59 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 75 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 252 34.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 1.2 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 2 0 3 4 4 1 2 0 2 3 5 1 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 1 0 9 7 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 . 0 6 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 0 ANTIPARALLEL BRIDGES PER LADDER . 5 2 0 4 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 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 K 0 0 128 0, 0.0 25,-2.6 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 88.4 -0.3 7.1 40.9 2 3 A R E -a 26 0A 69 23,-0.2 45,-0.9 42,-0.2 2,-0.4 -0.582 360.0-174.0 -90.3 149.4 1.8 6.0 43.9 3 4 A V E -ab 27 47A 0 23,-1.2 25,-2.2 -2,-0.2 2,-0.6 -0.953 12.0-152.1-142.3 121.1 5.0 4.0 43.9 4 5 A L E -ab 28 48A 0 43,-2.1 45,-3.1 -2,-0.4 2,-0.6 -0.843 9.7-160.3 -95.9 124.7 6.8 2.7 47.0 5 6 A V E -ab 29 49A 0 23,-2.7 25,-2.4 -2,-0.6 2,-0.6 -0.920 5.6-170.2-107.8 113.2 10.5 2.3 46.6 6 7 A V E +ab 30 50A 0 43,-3.3 45,-1.5 -2,-0.6 2,-0.3 -0.907 28.3 129.3-106.6 112.8 12.1 -0.0 49.1 7 8 A D - 0 0 2 23,-1.8 47,-0.1 -2,-0.6 6,-0.1 -0.985 55.5-133.9-163.8 151.4 16.0 -0.0 49.2 8 9 A D S S+ 0 0 72 45,-0.4 2,-0.4 -2,-0.3 -1,-0.1 0.769 85.6 70.8 -76.5 -29.1 19.0 0.3 51.4 9 10 A E >> - 0 0 103 1,-0.1 4,-1.9 2,-0.0 3,-1.9 -0.792 68.0-145.0-106.5 132.8 21.0 2.8 49.2 10 11 A E H 3>>S+ 0 0 101 -2,-0.4 4,-3.0 1,-0.3 5,-0.8 0.848 99.5 70.6 -54.7 -37.7 20.2 6.4 48.5 11 12 A S H 345S+ 0 0 69 1,-0.2 4,-0.3 3,-0.2 -1,-0.3 0.800 109.8 35.1 -52.0 -28.5 21.5 6.0 45.0 12 13 A I H <>5S+ 0 0 14 -3,-1.9 4,-2.7 3,-0.2 5,-0.4 0.927 120.6 42.8 -88.0 -59.9 18.3 4.0 44.5 13 14 A T H X5S+ 0 0 3 -4,-1.9 4,-1.4 1,-0.2 -2,-0.2 0.863 121.8 40.1 -59.6 -40.8 15.7 5.7 46.6 14 15 A S H X5S+ 0 0 65 -4,-3.0 4,-2.9 -5,-0.2 5,-0.3 0.971 117.7 45.3 -71.8 -56.6 16.8 9.2 45.6 15 16 A S H ><>S+ 0 0 0 -4,-3.5 5,-2.4 1,-0.2 3,-1.2 0.937 115.3 46.9 -59.0 -50.5 9.3 8.9 39.2 21 22 A E H ><5S+ 0 0 142 -4,-2.5 3,-1.3 1,-0.3 -1,-0.2 0.883 108.6 56.7 -59.1 -39.6 8.4 12.4 40.3 22 23 A E H 3<5S+ 0 0 120 -4,-1.6 -1,-0.3 -5,-0.3 -2,-0.2 0.688 108.4 48.4 -64.1 -19.7 9.8 13.7 37.0 23 24 A E T <<5S- 0 0 91 -3,-1.2 -1,-0.3 -4,-0.9 -2,-0.2 0.286 126.8 -92.2-108.9 8.8 7.4 11.4 35.1 24 25 A G T < 5S+ 0 0 50 -3,-1.3 2,-0.2 1,-0.4 -3,-0.2 0.358 85.8 125.6 99.8 -5.0 4.2 12.3 37.0 25 26 A Y < - 0 0 38 -5,-2.4 -1,-0.4 -6,-0.2 -23,-0.2 -0.597 58.7-133.6 -86.3 150.4 4.3 9.5 39.6 26 27 A H E -a 2 0A 117 -25,-2.6 -23,-1.2 -2,-0.2 2,-0.1 -0.833 32.4-162.4-105.1 94.8 4.1 10.3 43.3 27 28 A P E -a 3 0A 34 0, 0.0 2,-0.3 0, 0.0 -23,-0.2 -0.352 15.3-176.2 -77.5 152.8 7.0 8.3 44.9 28 29 A D E -a 4 0A 49 -25,-2.2 -23,-2.7 -2,-0.1 2,-0.4 -0.929 13.9-146.9-136.8 161.8 7.5 7.3 48.5 29 30 A T E -a 5 0A 28 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.985 12.1-165.7-136.9 143.0 10.5 5.5 49.9 30 31 A A E -a 6 0A 0 -25,-2.4 -23,-1.8 -2,-0.4 3,-0.0 -0.996 3.7-167.0-124.7 132.6 11.2 3.0 52.7 31 32 A K S S+ 0 0 95 -2,-0.4 2,-0.3 -25,-0.2 -1,-0.1 0.517 73.9 31.4 -98.7 -6.6 14.8 2.3 53.8 32 33 A T S > S- 0 0 45 22,-0.1 4,-2.1 23,-0.1 5,-0.1 -0.957 80.7-114.3-142.6 159.9 14.1 -0.8 55.9 33 34 A L H > S+ 0 0 9 -2,-0.3 4,-2.4 2,-0.2 5,-0.2 0.840 119.2 56.4 -61.2 -31.2 11.7 -3.7 55.8 34 35 A R H > S+ 0 0 195 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.974 108.0 43.7 -63.3 -56.7 10.4 -2.3 59.0 35 36 A E H > S+ 0 0 62 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.844 113.0 55.1 -57.5 -35.2 9.6 1.2 57.6 36 37 A A H X S+ 0 0 0 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.971 103.0 52.5 -64.5 -53.5 8.1 -0.5 54.6 37 38 A E H X S+ 0 0 74 -4,-2.4 4,-2.1 1,-0.2 5,-0.2 0.872 107.7 55.7 -49.6 -42.0 5.6 -2.6 56.5 38 39 A K H X S+ 0 0 114 -4,-1.7 4,-1.3 1,-0.2 -1,-0.2 0.980 111.3 40.8 -51.0 -61.9 4.5 0.6 58.2 39 40 A K H X S+ 0 0 34 -4,-2.0 4,-2.4 1,-0.2 -2,-0.2 0.816 112.1 55.3 -64.6 -32.5 3.7 2.4 54.9 40 41 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 1,-0.2 -2,-0.2 0.941 111.2 42.7 -66.3 -47.3 2.1 -0.6 53.2 41 42 A K H < S+ 0 0 126 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.743 118.4 49.4 -68.7 -23.1 -0.4 -1.2 56.0 42 43 A E H < S+ 0 0 98 -4,-1.3 586,-2.3 1,-0.2 2,-0.3 0.851 122.5 11.2 -85.8 -39.2 -1.0 2.5 56.1 43 44 A L B < S-e 628 0B 21 -4,-2.4 2,-0.6 584,-0.3 -1,-0.2 -0.988 74.4-111.9-147.9 147.1 -1.5 3.3 52.5 44 45 A F - 0 0 15 584,-2.8 586,-0.3 -2,-0.3 -42,-0.2 -0.732 24.5-170.5 -89.4 120.1 -2.1 1.4 49.2 45 46 A F - 0 0 1 -2,-0.6 29,-0.1 1,-0.1 -42,-0.1 -0.945 13.3-157.9-105.1 117.5 0.7 1.5 46.6 46 47 A P S S+ 0 0 13 0, 0.0 28,-3.3 0, 0.0 2,-0.4 0.876 85.6 35.0 -55.8 -38.9 -0.4 0.0 43.2 47 48 A V E -bc 3 74A 0 -45,-0.9 -43,-2.1 26,-0.2 2,-0.4 -0.972 68.0-171.9-125.8 131.2 3.3 -0.6 42.5 48 49 A I E -bc 4 75A 0 26,-2.6 28,-2.8 -2,-0.4 2,-0.6 -0.984 10.0-156.5-123.3 131.7 6.1 -1.5 44.9 49 50 A V E -bc 5 76A 1 -45,-3.1 -43,-3.3 -2,-0.4 2,-0.4 -0.937 22.4-173.8-109.2 113.0 9.8 -1.6 43.9 50 51 A L E -bc 6 77A 0 26,-2.9 28,-2.7 -2,-0.6 2,-0.4 -0.905 23.1-134.5-121.2 131.6 11.6 -3.9 46.2 51 52 A D E - c 0 78A 11 -45,-1.5 28,-0.2 -2,-0.4 26,-0.1 -0.661 18.0-135.8 -79.7 133.9 15.3 -4.7 46.6 52 53 A V S S+ 0 0 12 26,-2.4 8,-0.9 -2,-0.4 7,-0.6 0.793 93.1 52.5 -57.9 -30.1 16.0 -8.5 46.9 53 54 A W E +F 58 0C 155 25,-0.4 -45,-0.4 6,-0.2 5,-0.1 -0.943 66.2 165.6-115.2 131.2 18.4 -7.7 49.8 54 55 A X E > -F 57 0C 3 3,-0.8 3,-0.9 -2,-0.5 5,-0.2 -0.968 40.0-121.1-139.3 152.1 17.5 -5.6 52.8 55 56 A P T 3 S+ 0 0 66 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.960 105.9 41.3 -57.6 -58.2 19.1 -5.1 56.3 56 57 A D T 3 S- 0 0 74 2,-0.0 2,-0.2 3,-0.0 -24,-0.0 -0.174 124.1 -15.2 -93.4 42.0 16.3 -6.3 58.6 57 58 A G E < S-F 54 0C 37 -3,-0.9 2,-0.9 -2,-0.6 -3,-0.8 -0.832 88.1 -53.2 151.1 172.8 15.1 -9.3 56.7 58 59 A D E > -F 53 0C 86 -2,-0.2 4,-2.0 1,-0.2 -5,-0.2 -0.697 39.8-155.7 -82.2 106.7 14.9 -11.4 53.5 59 60 A G T 4 S+ 0 0 0 -2,-0.9 4,-0.4 -7,-0.6 -6,-0.2 0.841 92.7 52.1 -49.5 -42.1 13.8 -9.0 50.7 60 61 A V T >4 S+ 0 0 4 -8,-0.9 3,-2.1 1,-0.2 4,-0.3 0.967 109.5 47.0 -58.6 -56.5 12.5 -11.9 48.7 61 62 A N T >> S+ 0 0 82 1,-0.3 3,-2.4 2,-0.2 4,-0.6 0.786 96.5 74.3 -59.1 -29.0 10.4 -13.4 51.5 62 63 A F H 3X S+ 0 0 11 -4,-2.0 4,-1.8 1,-0.3 3,-0.4 0.746 78.3 76.0 -57.1 -23.7 9.0 -9.9 52.2 63 64 A I H <> S+ 0 0 4 -3,-2.1 4,-3.0 -4,-0.4 -1,-0.3 0.866 89.0 58.3 -53.7 -34.5 7.0 -10.4 49.0 64 65 A D H <> S+ 0 0 59 -3,-2.4 4,-1.5 -4,-0.3 -1,-0.2 0.887 100.8 54.4 -65.1 -37.8 4.8 -12.6 51.2 65 66 A F H X S+ 0 0 41 -4,-0.6 4,-2.4 -3,-0.4 -1,-0.2 0.927 112.5 43.6 -57.1 -45.4 4.2 -9.7 53.5 66 67 A I H X S+ 0 0 4 -4,-1.8 4,-2.0 1,-0.2 7,-0.3 0.898 109.9 55.5 -66.1 -43.5 3.0 -7.7 50.5 67 68 A K H < S+ 0 0 97 -4,-3.0 -1,-0.2 1,-0.2 -2,-0.2 0.791 115.1 42.5 -57.2 -27.8 1.0 -10.7 49.2 68 69 A E H < S+ 0 0 116 -4,-1.5 -2,-0.2 -5,-0.2 -1,-0.2 0.891 125.5 25.9 -88.7 -44.8 -0.7 -10.7 52.6 69 70 A N H < S+ 0 0 56 -4,-2.4 -2,-0.2 1,-0.2 -3,-0.2 0.360 134.2 26.0-109.6 3.2 -1.4 -7.0 53.4 70 71 A S >< + 0 0 1 -4,-2.0 3,-2.2 -5,-0.2 -1,-0.2 -0.243 64.9 168.1-161.0 61.9 -1.6 -5.5 49.9 71 72 A P T 3 S+ 0 0 58 0, 0.0 -4,-0.1 0, 0.0 -2,-0.1 0.664 76.5 55.7 -59.7 -24.3 -2.6 -8.3 47.5 72 73 A D T 3 S+ 0 0 43 -6,-0.1 2,-0.1 2,-0.1 -5,-0.1 0.597 81.5 110.9 -86.3 -13.2 -3.4 -5.9 44.6 73 74 A S < - 0 0 14 -3,-2.2 2,-0.5 -7,-0.3 -26,-0.2 -0.408 62.9-141.2 -63.5 134.5 0.1 -4.4 44.7 74 75 A V E -c 47 0A 14 -28,-3.3 -26,-2.6 -2,-0.1 2,-0.4 -0.871 21.2-147.3 -96.2 129.1 2.3 -5.2 41.6 75 76 A V E -c 48 0A 6 -2,-0.5 21,-2.0 19,-0.3 22,-1.7 -0.839 18.5-172.9-109.7 132.9 5.9 -5.8 42.7 76 77 A I E -cd 49 97A 1 -28,-2.8 -26,-2.9 -2,-0.4 2,-0.3 -0.987 18.0-151.2-115.5 123.6 9.1 -5.1 40.8 77 78 A V E -cd 50 98A 0 20,-2.4 22,-2.5 -2,-0.5 2,-0.5 -0.694 3.6-145.8 -95.3 148.7 12.3 -6.5 42.4 78 79 A I E -cd 51 99A 1 -28,-2.7 -26,-2.4 -2,-0.3 2,-0.4 -0.967 22.2-172.9-110.1 122.3 15.7 -5.0 42.1 79 80 A T E - d 0 100A 0 20,-2.6 22,-2.6 -2,-0.5 3,-0.1 -0.911 25.7-104.3-120.1 146.9 18.5 -7.5 42.0 80 81 A G - 0 0 23 -2,-0.4 3,-0.3 20,-0.2 2,-0.1 -0.045 56.6 -73.5 -57.1 163.8 22.3 -7.1 42.1 81 82 A H S S+ 0 0 133 1,-0.2 2,-0.6 19,-0.1 -1,-0.2 -0.375 115.6 2.2 -65.2 135.4 24.3 -7.7 39.0 82 83 A G S S+ 0 0 51 19,-0.2 2,-1.5 1,-0.1 -1,-0.2 -0.042 103.3 106.1 81.6 -35.4 24.7 -11.3 37.9 83 84 A S + 0 0 48 -2,-0.6 4,-0.2 -3,-0.3 -1,-0.1 -0.616 29.0 136.1 -81.1 89.1 22.5 -12.5 40.8 84 85 A V > + 0 0 25 -2,-1.5 4,-1.4 2,-0.1 -1,-0.2 0.132 52.8 81.1-119.4 15.8 19.3 -13.3 38.9 85 86 A D H > S+ 0 0 131 2,-0.2 4,-2.0 3,-0.1 -2,-0.1 0.810 94.5 50.2 -82.1 -37.3 18.6 -16.6 40.8 86 87 A T H > S+ 0 0 41 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.899 106.5 58.2 -59.0 -41.9 17.2 -14.5 43.5 87 88 A A H > S+ 0 0 0 2,-0.2 4,-2.8 1,-0.2 -2,-0.2 0.944 105.7 45.2 -56.9 -55.8 15.1 -12.8 40.8 88 89 A V H X S+ 0 0 46 -4,-1.4 4,-3.1 2,-0.2 5,-0.3 0.922 109.9 57.9 -51.0 -46.4 13.4 -16.0 39.7 89 90 A K H X S+ 0 0 134 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.950 109.2 44.2 -47.8 -55.4 12.9 -16.8 43.4 90 91 A A H X>S+ 0 0 0 -4,-2.7 5,-2.5 1,-0.2 4,-1.0 0.894 111.2 53.5 -58.1 -45.4 11.0 -13.5 43.7 91 92 A I H ><5S+ 0 0 38 -4,-2.8 3,-0.7 1,-0.2 -1,-0.2 0.908 109.3 48.1 -59.1 -43.2 9.0 -14.1 40.5 92 93 A K H 3<5S+ 0 0 174 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.816 105.6 58.8 -68.6 -29.2 7.9 -17.5 41.7 93 94 A K H 3<5S- 0 0 62 -4,-1.8 -1,-0.3 -5,-0.3 -2,-0.2 0.726 135.5 -89.5 -69.3 -20.4 6.9 -15.9 45.0 94 95 A G T <<5S+ 0 0 53 -4,-1.0 -19,-0.3 -3,-0.7 -3,-0.2 0.486 75.4 148.5 125.9 7.2 4.7 -13.7 42.9 95 96 A A < - 0 0 6 -5,-2.5 -1,-0.3 -8,-0.1 -19,-0.2 -0.413 38.4-146.8 -64.7 146.7 6.7 -10.6 41.9 96 97 A Y - 0 0 21 -21,-2.0 2,-0.3 1,-0.2 -20,-0.2 0.895 69.0 -1.3 -83.1 -43.4 5.6 -9.3 38.4 97 98 A E E -d 76 0A 4 -22,-1.7 -20,-2.4 -7,-0.0 2,-0.3 -0.887 57.7-151.8-142.6 169.3 9.0 -8.0 37.1 98 99 A F E -d 77 0A 13 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.996 3.7-153.1-147.5 150.6 12.6 -7.6 38.0 99 100 A L E -d 78 0A 7 -22,-2.5 -20,-2.6 -2,-0.3 2,-0.6 -0.988 13.2-142.3-123.7 131.0 15.4 -5.3 37.1 100 101 A E E -d 79 0A 66 -2,-0.4 -20,-0.2 -22,-0.2 -19,-0.1 -0.824 39.2 -90.2 -92.2 123.5 19.1 -6.2 37.2 101 102 A K S S+ 0 0 50 -22,-2.6 -19,-0.2 -2,-0.6 2,-0.1 -0.526 106.6 47.5 -65.0 138.4 21.5 -3.5 38.3 102 103 A P S S+ 0 0 109 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 0.642 77.2 153.8 -88.2 157.9 22.7 -1.6 36.6 103 104 A F - 0 0 50 -2,-0.1 -2,-0.1 -4,-0.1 -4,-0.0 -0.989 37.1-113.2-142.2 151.8 19.8 -0.4 34.5 104 105 A S > - 0 0 41 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.240 27.1-111.5 -80.6 168.4 19.0 2.8 32.6 105 106 A V H > S+ 0 0 63 2,-0.2 4,-3.0 1,-0.2 5,-0.2 0.929 120.4 53.1 -60.0 -48.3 16.4 5.4 33.3 106 107 A E H > S+ 0 0 94 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.900 109.2 47.5 -53.7 -47.2 14.6 4.3 30.1 107 108 A R H > S+ 0 0 38 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.906 113.1 49.5 -66.2 -42.8 14.6 0.7 31.2 108 109 A F H X S+ 0 0 1 -4,-2.4 4,-2.3 2,-0.2 -2,-0.2 0.968 112.2 45.9 -56.8 -56.9 13.3 1.7 34.7 109 110 A L H X S+ 0 0 30 -4,-3.0 4,-2.4 1,-0.2 -2,-0.2 0.852 111.1 53.1 -59.4 -38.0 10.5 3.9 33.4 110 111 A L H X S+ 0 0 17 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.904 109.7 48.2 -64.4 -42.1 9.4 1.3 30.8 111 112 A T H X S+ 0 0 2 -4,-1.9 4,-2.3 2,-0.2 -2,-0.2 0.891 110.8 51.2 -64.8 -40.9 9.1 -1.4 33.5 112 113 A I H X S+ 0 0 0 -4,-2.3 4,-2.4 2,-0.2 5,-0.2 0.932 106.9 54.3 -59.3 -47.4 7.1 1.0 35.7 113 114 A K H X S+ 0 0 113 -4,-2.4 4,-1.8 1,-0.2 -2,-0.2 0.926 111.2 44.6 -53.3 -48.7 4.7 1.7 32.9 114 115 A H H X S+ 0 0 3 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.851 107.8 58.9 -67.3 -35.2 4.1 -2.0 32.4 115 116 A A H X S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 -1,-0.2 0.919 107.8 46.9 -57.4 -43.0 3.7 -2.5 36.2 116 117 A F H X S+ 0 0 15 -4,-2.4 4,-2.9 1,-0.2 -2,-0.2 0.883 110.7 50.0 -70.0 -36.4 0.9 0.0 36.2 117 118 A E H < S+ 0 0 38 -4,-1.8 4,-0.5 2,-0.2 -1,-0.2 0.774 109.3 53.1 -74.8 -19.7 -0.9 -1.5 33.2 118 119 A E H < S+ 0 0 54 -4,-1.7 3,-0.4 2,-0.2 -1,-0.2 0.877 111.5 46.5 -73.1 -38.7 -0.6 -4.9 35.0 119 120 A Y H < S+ 0 0 50 -4,-1.9 -2,-0.2 1,-0.2 -3,-0.2 0.929 112.1 49.9 -65.0 -45.5 -2.2 -3.2 38.0 120 121 A S S < S+ 0 0 48 -4,-2.9 2,-1.0 1,-0.2 -1,-0.2 0.590 95.3 83.3 -70.5 -11.6 -4.9 -1.7 35.8 121 122 A K + 0 0 114 -4,-0.5 2,-0.4 -3,-0.4 -1,-0.2 -0.676 55.6 140.7-101.6 82.6 -5.6 -5.0 34.1 122 123 A K - 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0 0 63 -5,-3.6 -1,-0.2 -6,-0.1 39,-0.1 -0.702 52.7-142.0-123.9 176.6 -40.6 -13.9 13.9 695 327 B N + 0 0 91 37,-0.4 2,-1.0 -2,-0.2 3,-0.1 0.071 59.1 118.1-135.3 27.4 -42.0 -11.9 11.0 696 328 B b + 0 0 0 1,-0.2 38,-0.2 -11,-0.1 37,-0.2 -0.817 29.4 148.8 -89.2 97.4 -44.2 -9.2 12.5 697 329 B F + 0 0 93 -2,-1.0 2,-0.4 36,-1.0 37,-0.2 0.414 42.3 73.6-115.6 0.2 -42.3 -6.2 11.3 698 330 B E E -b 734 0N 112 35,-1.7 37,-1.8 -3,-0.1 2,-0.5 -0.957 61.1-144.4-127.2 135.2 -45.0 -3.5 10.9 699 331 B L E -b 735 0N 2 -2,-0.4 37,-0.1 35,-0.2 35,-0.0 -0.836 28.5-128.1 -89.7 124.3 -47.1 -1.4 13.2 700 332 B S > - 0 0 13 35,-1.7 4,-2.0 -2,-0.5 5,-0.2 -0.231 22.2-112.8 -65.6 159.0 -50.6 -0.7 11.9 701 333 B E H > S+ 0 0 119 1,-0.2 4,-1.7 2,-0.2 -1,-0.1 0.851 120.1 55.2 -62.8 -31.5 -51.8 2.9 11.8 702 334 B E H > S+ 0 0 135 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.884 105.5 51.1 -69.0 -39.7 -54.3 2.0 14.6 703 335 B T H > S+ 0 0 7 32,-0.3 4,-2.7 2,-0.2 -2,-0.2 0.917 108.6 51.3 -60.3 -45.0 -51.5 0.7 16.8 704 336 B K H X S+ 0 0 49 -4,-2.0 4,-1.7 1,-0.2 -2,-0.2 0.872 110.7 50.3 -61.3 -36.5 -49.5 3.9 16.3 705 337 B E H < S+ 0 0 105 -4,-1.7 4,-0.5 2,-0.2 -2,-0.2 0.918 110.8 47.3 -65.8 -46.8 -52.6 5.9 17.2 706 338 B Y H >< S+ 0 0 100 -4,-2.4 3,-1.2 1,-0.2 4,-0.4 0.900 109.6 53.8 -65.5 -40.2 -53.2 3.9 20.4 707 339 B L H >< S+ 0 0 3 -4,-2.7 3,-1.5 1,-0.3 -1,-0.2 0.912 103.1 57.9 -57.8 -41.7 -49.5 4.2 21.4 708 340 B X T 3< S+ 0 0 79 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.627 104.3 53.2 -67.4 -11.9 -49.8 8.0 21.1 709 341 B K T < S+ 0 0 130 -3,-1.2 -1,-0.3 -4,-0.5 -2,-0.2 0.448 85.7 102.0-106.7 0.7 -52.6 8.1 23.6 710 342 B Q < - 0 0 63 -3,-1.5 -3,-0.0 -4,-0.4 0, 0.0 -0.466 63.3-142.3 -83.6 157.2 -50.9 6.2 26.5 711 343 B E - 0 0 119 -2,-0.1 -40,-0.5 -41,-0.0 -1,-0.1 0.780 23.7-153.4 -84.2 -31.3 -49.5 7.8 29.6 712 344 B W > + 0 0 8 -42,-0.1 3,-1.8 1,-0.1 -42,-0.3 0.950 19.9 177.3 51.8 60.8 -46.5 5.4 29.9 713 345 B K T 3 S+ 0 0 171 1,-0.3 -183,-0.2 2,-0.1 -1,-0.1 0.780 85.8 47.6 -58.5 -29.3 -46.0 5.6 33.7 714 346 B G T >> S- 0 0 10 1,-0.2 4,-1.6 -183,-0.1 3,-0.8 0.316 100.1-163.7 -92.8 5.1 -43.2 3.0 33.2 715 347 B N H <> - 0 0 0 -3,-1.8 4,-2.2 1,-0.2 -1,-0.2 -0.119 60.3 -7.9 53.5-133.6 -41.9 5.0 30.3 716 348 B V H 3> S+ 0 0 25 -185,-1.6 4,-3.0 1,-0.2 -1,-0.2 0.854 136.0 56.9 -68.2 -34.2 -39.4 3.3 27.9 717 349 B R H <> S+ 0 0 54 -3,-0.8 4,-2.0 -186,-0.7 -2,-0.2 0.932 109.5 46.1 -58.8 -45.7 -39.2 0.2 30.2 718 350 B E H X S+ 0 0 29 -4,-1.6 4,-1.9 1,-0.2 -2,-0.2 0.925 114.4 47.5 -63.7 -44.7 -43.0 -0.2 29.9 719 351 B L H X S+ 0 0 0 -4,-2.2 4,-2.3 2,-0.2 5,-0.2 0.934 110.9 50.7 -61.0 -49.4 -43.0 0.4 26.1 720 352 B K H X S+ 0 0 73 -4,-3.0 4,-2.2 1,-0.2 5,-0.2 0.938 112.4 45.7 -57.2 -51.3 -40.2 -2.1 25.5 721 353 B N H X S+ 0 0 0 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.853 110.7 54.5 -60.6 -37.6 -41.8 -4.9 27.5 722 354 B L H X S+ 0 0 37 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.888 111.1 44.7 -64.6 -39.2 -45.1 -4.2 25.8 723 355 B I H X S+ 0 0 5 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.854 110.7 53.0 -76.7 -32.2 -43.6 -4.6 22.4 724 356 B E H X S+ 0 0 8 -4,-2.2 4,-2.8 -5,-0.2 5,-0.2 0.927 107.9 52.8 -65.5 -44.6 -41.7 -7.7 23.3 725 357 B R H X S+ 0 0 64 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.957 108.1 50.6 -48.5 -56.2 -44.9 -9.1 24.6 726 358 B A H < S+ 0 0 26 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.872 113.1 45.5 -52.2 -41.4 -46.5 -8.3 21.2 727 359 B V H >< S+ 0 0 0 -4,-2.1 3,-0.9 2,-0.2 -1,-0.2 0.856 109.6 54.0 -75.8 -35.1 -43.6 -10.1 19.3 728 360 B I H 3< S+ 0 0 14 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.907 118.0 35.9 -64.1 -42.0 -43.6 -13.1 21.6 729 361 B L T 3< S+ 0 0 78 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.255 93.9 145.7 -90.3 10.6 -47.3 -13.7 21.0 730 362 B b < + 0 0 16 -3,-0.9 -3,-0.1 -5,-0.2 5,-0.1 -0.224 18.8 167.1 -61.7 133.4 -46.8 -12.5 17.4 731 363 B E + 0 0 168 3,-0.2 -36,-0.2 -37,-0.0 -1,-0.1 0.800 58.7 10.0-105.7 -76.1 -49.0 -14.2 14.7 732 364 B G S S- 0 0 39 2,-0.3 -37,-0.4 -38,-0.1 3,-0.1 0.607 93.6 -82.0 -80.8-128.9 -49.0 -12.4 11.3 733 365 B E S S+ 0 0 132 -37,-0.2 -35,-1.7 1,-0.1 -36,-1.0 0.326 105.1 63.7-125.1 -0.6 -46.7 -9.6 10.1 734 366 B V E -b 698 0N 53 -38,-0.2 2,-0.5 -37,-0.2 -2,-0.3 -0.983 65.9-145.7-132.9 141.2 -48.7 -6.8 11.6 735 367 B I E +b 699 0N 22 -37,-1.8 -35,-1.7 -2,-0.4 -32,-0.3 -0.894 29.0 154.9-106.7 129.9 -49.5 -5.8 15.2 736 368 B K 0 0 141 -2,-0.5 -1,-0.1 -37,-0.1 -37,-0.0 0.777 360.0 360.0-122.9 -47.1 -52.9 -4.2 15.9 737 369 B P 0 0 141 0, 0.0 -31,-0.1 0, 0.0 -2,-0.0 0.869 360.0 360.0 -44.7 360.0 -54.3 -4.5 19.5