==== 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 TRANSCRIPTION 28-NOV-09 3KV1 . COMPND 2 MOLECULE: TRANSCRIPTIONAL REPRESSOR; . SOURCE 2 ORGANISM_SCIENTIFIC: VIBRIO FISCHERI; . AUTHOR Y.KIM,N.MARSHALL,J.BEARDEN,A.JOACHIMIAK,MIDWEST CENTER FOR S . 253 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11114.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 196 77.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 31 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 16 6.3 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 0.8 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 . 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 . 20 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 36.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.6 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 1 0 0 2 2 0 2 2 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 3 1 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 0 PARALLEL BRIDGES PER LADDER . 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 1 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 6 A S > 0 0 67 0, 0.0 4,-1.4 0, 0.0 18,-0.1 0.000 360.0 360.0 360.0 -31.5 40.4 16.4 -8.1 2 7 A V H > + 0 0 85 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.845 360.0 52.2 -72.7 -35.7 43.7 15.7 -9.9 3 8 A Q H > S+ 0 0 142 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.875 107.3 53.6 -62.3 -39.4 42.3 17.5 -13.0 4 9 A L H > S+ 0 0 22 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.893 104.0 55.6 -62.0 -39.4 41.5 20.4 -10.6 5 10 A E H X S+ 0 0 46 -4,-1.4 4,-2.5 1,-0.2 -2,-0.2 0.909 107.4 48.7 -62.2 -42.2 45.1 20.4 -9.4 6 11 A Q H X S+ 0 0 129 -4,-1.6 4,-2.3 1,-0.2 -1,-0.2 0.910 112.1 48.4 -64.8 -43.7 46.5 20.8 -13.0 7 12 A K H X S+ 0 0 111 -4,-1.9 4,-2.8 2,-0.2 -2,-0.2 0.893 112.8 48.3 -64.4 -41.6 44.1 23.6 -13.8 8 13 A L H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 6,-0.3 0.917 110.8 50.2 -63.2 -45.6 45.0 25.4 -10.5 9 14 A V H X>S+ 0 0 48 -4,-2.5 5,-1.3 1,-0.2 4,-0.8 0.936 116.0 42.8 -58.2 -46.0 48.7 25.1 -11.1 10 15 A E H <5S+ 0 0 168 -4,-2.3 3,-0.4 1,-0.2 -2,-0.2 0.928 117.5 45.1 -67.6 -45.4 48.3 26.4 -14.6 11 16 A K H <5S+ 0 0 115 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.854 123.7 31.0 -69.7 -36.4 46.0 29.2 -13.7 12 17 A F H <5S- 0 0 32 -4,-2.7 -1,-0.2 -5,-0.2 -2,-0.2 0.248 102.7-116.7-112.9 12.0 47.7 30.5 -10.6 13 18 A N T <5 + 0 0 147 -4,-0.8 2,-0.2 -3,-0.4 -3,-0.2 0.915 58.5 161.0 55.1 47.2 51.4 29.8 -11.4 14 19 A L < - 0 0 15 -5,-1.3 223,-0.2 -6,-0.3 -1,-0.2 -0.561 50.0-138.8 -93.0 162.8 51.8 27.4 -8.5 15 20 A K S S- 0 0 97 221,-2.7 2,-0.3 1,-0.3 222,-0.2 0.803 88.4 -9.1 -77.3 -37.2 54.4 24.7 -8.0 16 21 A R E -a 237 0A 97 220,-1.7 222,-1.9 -8,-0.1 2,-0.5 -0.964 53.2-149.7-164.6 145.5 51.6 22.4 -6.7 17 22 A A E -a 238 0A 5 -2,-0.3 2,-0.6 220,-0.2 222,-0.2 -0.973 11.6-161.3-121.5 128.1 48.0 22.2 -5.7 18 23 A L E -a 239 0A 28 220,-3.0 222,-2.2 -2,-0.5 2,-0.5 -0.947 14.8-169.5-111.9 109.8 46.9 19.7 -3.0 19 24 A I E -a 240 0A 9 -2,-0.6 2,-0.3 220,-0.2 222,-0.2 -0.879 5.9-162.8-114.5 124.1 43.2 19.2 -3.2 20 25 A S E -a 241 0A 7 220,-2.8 222,-2.0 -2,-0.5 3,-0.1 -0.734 29.6-103.1-101.3 147.9 41.1 17.3 -0.6 21 26 A L - 0 0 114 -2,-0.3 11,-0.1 220,-0.2 -1,-0.1 -0.312 52.1 -85.3 -63.6 151.1 37.6 16.0 -1.1 22 27 A D - 0 0 77 219,-0.1 -1,-0.1 1,-0.0 219,-0.0 -0.356 48.5-156.1 -61.4 136.7 34.8 18.0 0.4 23 28 A Q - 0 0 60 2,-0.1 6,-0.1 -3,-0.1 -1,-0.0 -0.687 26.7-107.9-113.9 165.4 34.1 17.1 4.1 24 29 A P S S+ 0 0 112 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.705 95.4 6.3 -70.8 -21.9 31.0 17.5 6.3 25 30 A N S > S- 0 0 87 1,-0.1 4,-2.5 0, 0.0 5,-0.1 -0.943 80.4 -98.1-154.4 174.0 32.3 20.4 8.4 26 31 A T H > S+ 0 0 50 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.846 117.0 55.1 -71.4 -34.0 35.2 22.7 8.6 27 32 A N H > S+ 0 0 80 2,-0.2 4,-1.5 1,-0.2 -1,-0.2 0.911 112.4 44.0 -64.9 -41.2 37.1 20.8 11.3 28 33 A E H > S+ 0 0 65 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.881 112.5 53.3 -70.1 -38.7 37.0 17.7 9.2 29 34 A Q H X S+ 0 0 12 -4,-2.5 4,-2.3 1,-0.2 5,-0.2 0.939 107.5 50.0 -60.8 -44.7 38.0 19.7 6.1 30 35 A R H X S+ 0 0 29 -4,-2.9 4,-2.4 1,-0.2 -1,-0.2 0.850 109.2 53.4 -60.1 -36.7 41.0 21.2 7.9 31 36 A K H X S+ 0 0 105 -4,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.886 110.2 45.7 -64.9 -41.0 42.1 17.7 9.0 32 37 A Q H X S+ 0 0 85 -4,-1.9 4,-1.1 2,-0.2 -2,-0.2 0.868 114.1 47.5 -75.2 -36.6 42.0 16.4 5.4 33 38 A V H X S+ 0 0 1 -4,-2.3 4,-2.0 1,-0.2 3,-0.4 0.909 110.9 53.4 -63.0 -43.6 43.8 19.4 4.0 34 39 A A H X S+ 0 0 1 -4,-2.4 4,-2.6 -5,-0.2 -2,-0.2 0.842 101.9 60.2 -63.9 -28.7 46.4 19.1 6.8 35 40 A A H X S+ 0 0 20 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.903 106.2 45.6 -65.3 -38.8 46.9 15.4 5.8 36 41 A L H X S+ 0 0 59 -4,-1.1 4,-2.1 -3,-0.4 -1,-0.2 0.900 113.8 48.6 -73.7 -38.9 48.0 16.4 2.3 37 42 A V H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 5,-0.2 0.902 108.4 55.1 -66.4 -38.3 50.3 19.1 3.6 38 43 A S H X S+ 0 0 3 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.910 110.5 45.4 -58.8 -45.1 51.8 16.7 6.2 39 44 A S H X S+ 0 0 61 -4,-1.8 4,-2.0 2,-0.2 -1,-0.2 0.900 110.3 53.5 -66.2 -43.0 52.8 14.3 3.5 40 45 A Y H X S+ 0 0 13 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.933 112.7 44.4 -57.0 -48.4 54.2 17.0 1.3 41 46 A L H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.910 107.9 58.9 -65.1 -39.0 56.4 18.2 4.2 42 47 A N H < S+ 0 0 33 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.907 114.3 36.8 -54.1 -43.9 57.4 14.6 5.0 43 48 A N H < S+ 0 0 107 -4,-2.0 -1,-0.2 1,-0.1 -2,-0.2 0.782 127.3 32.7 -79.4 -28.4 58.8 14.2 1.4 44 49 A N H < S+ 0 0 53 -4,-1.9 2,-1.0 -5,-0.2 -3,-0.2 0.724 87.8 91.3-108.7 -21.6 60.3 17.6 0.9 45 50 A L < - 0 0 0 -4,-2.6 2,-0.1 -5,-0.2 29,-0.1 -0.638 62.9-161.8 -84.3 102.4 61.6 19.1 4.1 46 51 A Q > - 0 0 100 -2,-1.0 3,-2.2 1,-0.1 26,-0.1 -0.445 31.0 -84.4 -84.4 157.0 65.2 18.0 4.3 47 52 A E T 3 S+ 0 0 139 1,-0.3 27,-0.2 -2,-0.1 -1,-0.1 -0.312 119.2 26.2 -50.2 134.4 67.5 17.9 7.4 48 53 A G T 3 S+ 0 0 41 25,-2.6 -1,-0.3 1,-0.4 2,-0.2 0.354 97.8 113.4 88.6 -8.6 68.9 21.4 7.9 49 54 A X < - 0 0 57 -3,-2.2 26,-2.5 89,-0.1 -1,-0.4 -0.538 53.7-142.7 -91.5 166.2 66.0 23.2 6.1 50 55 A A E -b 75 0A 0 24,-0.2 90,-1.7 -2,-0.2 89,-0.8 -0.920 6.5-148.5-131.5 154.3 63.6 25.5 7.9 51 56 A V E -bc 76 140A 1 24,-2.6 26,-3.1 -2,-0.3 2,-0.6 -0.991 13.4-142.4-124.4 125.7 59.9 26.4 7.8 52 57 A A E -bc 77 141A 0 88,-2.7 90,-2.5 -2,-0.4 2,-0.4 -0.854 30.5-155.1 -83.2 123.7 58.6 29.9 8.6 53 58 A V E -bc 78 142A 0 24,-2.8 26,-2.6 -2,-0.6 27,-0.4 -0.842 11.5-161.9-116.7 127.3 55.3 29.1 10.5 54 59 A G - 0 0 0 88,-2.7 2,-0.2 -2,-0.4 126,-0.2 -0.146 24.8-101.3 -91.8-166.2 52.2 31.3 10.8 55 60 A Q + 0 0 13 124,-1.7 4,-0.4 89,-0.1 89,-0.4 -0.544 60.1 53.5-113.9 176.4 49.4 31.0 13.4 56 61 A G S > S- 0 0 9 31,-2.5 4,-2.5 -2,-0.2 5,-0.2 -0.165 86.6 -51.7 97.2 176.2 45.9 29.7 13.6 57 62 A Q H > S+ 0 0 99 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.805 122.6 54.5 -67.7 -35.1 43.7 26.6 13.0 58 63 A N H > S+ 0 0 5 -3,-0.2 4,-0.6 2,-0.2 -1,-0.2 0.965 116.0 39.9 -63.4 -47.7 44.7 25.7 9.4 59 64 A V H >> S+ 0 0 0 -4,-0.4 3,-1.3 1,-0.2 4,-1.1 0.919 111.4 56.9 -66.9 -41.2 48.4 25.6 10.3 60 65 A A H 3X S+ 0 0 2 -4,-2.5 4,-2.0 1,-0.3 3,-0.3 0.873 96.4 65.1 -60.9 -35.3 47.8 23.9 13.7 61 66 A A H 3X S+ 0 0 16 -4,-1.8 4,-0.8 1,-0.2 -1,-0.3 0.818 97.6 55.4 -57.2 -31.4 46.0 21.1 11.9 62 67 A V H X< S+ 0 0 0 -3,-1.3 3,-0.5 -4,-0.6 -1,-0.2 0.912 108.8 46.5 -69.9 -40.4 49.3 20.1 10.1 63 68 A A H 3< S+ 0 0 10 -4,-1.1 -2,-0.2 -3,-0.3 -1,-0.2 0.861 115.0 47.7 -67.7 -30.5 51.1 19.8 13.5 64 69 A D H 3< S+ 0 0 95 -4,-2.0 2,-0.2 2,-0.1 -1,-0.2 0.546 80.5 115.6 -90.2 -6.7 48.2 17.8 14.9 65 70 A H << - 0 0 58 -4,-0.8 2,-0.5 -3,-0.5 -3,-0.0 -0.470 59.5-147.0 -68.0 127.9 47.9 15.4 11.9 66 71 A A + 0 0 103 -2,-0.2 -1,-0.1 2,-0.0 2,-0.1 -0.133 49.4 129.1 -93.4 42.1 48.8 11.9 13.2 67 72 A G - 0 0 31 -2,-0.5 2,-0.5 1,-0.1 -32,-0.0 -0.372 66.1 -91.6 -86.9 171.4 50.4 10.4 10.1 68 73 A I + 0 0 163 -2,-0.1 2,-0.4 0, 0.0 -1,-0.1 -0.729 47.7 174.4 -83.3 124.9 53.8 8.7 9.8 69 74 A V - 0 0 15 -2,-0.5 2,-0.2 30,-0.2 -30,-0.1 -0.967 33.0-112.6-129.3 147.0 56.7 11.0 9.0 70 75 A T - 0 0 95 -2,-0.4 2,-0.4 -28,-0.1 0, 0.0 -0.509 38.6-110.7 -70.9 144.5 60.4 10.2 8.8 71 76 A Q + 0 0 117 -2,-0.2 2,-0.3 2,-0.0 30,-0.3 -0.637 47.4 161.2 -80.7 130.8 62.5 11.9 11.5 72 77 A R - 0 0 28 28,-3.2 2,-1.9 -2,-0.4 -26,-0.0 -0.993 47.0-110.5-147.5 153.0 64.8 14.7 10.2 73 78 A N + 0 0 86 -2,-0.3 -25,-2.6 29,-0.1 29,-0.2 -0.478 58.8 148.7 -85.5 73.4 66.6 17.6 11.8 74 79 A A - 0 0 0 -2,-1.9 29,-2.5 -27,-0.2 2,-0.5 -0.601 42.0-123.1-102.1 168.1 64.6 20.5 10.4 75 80 A R E -bd 50 103A 59 -26,-2.5 -24,-2.6 27,-0.2 2,-0.6 -0.938 12.1-158.9-123.4 125.4 63.9 23.9 12.0 76 81 A F E -bd 51 104A 0 27,-2.9 29,-2.6 -2,-0.5 2,-0.5 -0.909 16.4-169.7-107.7 114.9 60.5 25.4 12.6 77 82 A V E -bd 52 105A 0 -26,-3.1 -24,-2.8 -2,-0.6 2,-0.2 -0.908 23.4-119.9-114.2 126.3 60.7 29.2 13.1 78 83 A S E -b 53 0A 0 27,-2.4 -24,-0.2 -2,-0.5 57,-0.2 -0.445 19.7-169.6 -64.3 132.4 57.8 31.4 14.3 79 84 A A S S+ 0 0 0 -26,-2.6 123,-2.4 -2,-0.2 2,-0.3 0.347 73.8 36.6-101.5 2.1 56.9 34.0 11.7 80 85 A I B S-G 201 0B 1 -27,-0.4 27,-0.3 121,-0.3 121,-0.2 -0.970 91.2-100.2-152.0 151.1 54.7 36.0 14.1 81 86 A G - 0 0 1 119,-2.0 8,-0.4 29,-0.3 30,-0.2 0.010 46.6 -82.0 -70.2-178.3 54.9 36.7 17.8 82 87 A G B -h 110 0C 24 27,-2.4 29,-2.9 25,-0.4 30,-0.4 -0.420 29.2-142.1 -92.6 162.9 53.1 35.0 20.6 83 88 A T 0 0 30 27,-0.2 5,-0.1 1,-0.1 -1,-0.0 -0.867 360.0 360.0-119.1 148.0 49.6 35.3 22.1 84 89 A H 0 0 184 -2,-0.3 -1,-0.1 4,-0.0 4,-0.1 0.255 360.0 360.0 -85.5 360.0 48.6 35.2 25.8 85 ! 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 86 94 A I 0 0 89 0, 0.0 2,-0.7 0, 0.0 -3,-0.1 0.000 360.0 360.0 360.0 125.4 44.2 31.7 18.7 87 95 A I - 0 0 60 1,-0.0 -31,-2.5 4,-0.0 -27,-0.1 -0.734 360.0-125.6 -83.8 115.8 46.7 28.9 18.4 88 96 A N > - 0 0 8 -2,-0.7 4,-2.1 -33,-0.2 5,-0.2 -0.322 2.7-132.5 -61.3 138.8 50.1 30.5 18.6 89 97 A A H > S+ 0 0 0 -8,-0.4 4,-2.8 1,-0.2 5,-0.2 0.872 109.2 56.8 -59.0 -37.1 52.8 30.0 15.9 90 98 A D H > S+ 0 0 25 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.930 106.8 46.8 -59.5 -49.2 55.3 29.2 18.7 91 99 A H H > S+ 0 0 79 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.934 112.5 51.1 -58.8 -43.2 53.1 26.3 20.0 92 100 A I H X S+ 0 0 0 -4,-2.1 4,-2.8 1,-0.2 -2,-0.2 0.923 108.3 51.3 -60.2 -43.6 52.7 25.0 16.5 93 101 A C H X S+ 0 0 0 -4,-2.8 4,-3.0 1,-0.2 -1,-0.2 0.909 108.7 51.8 -62.5 -41.3 56.4 25.1 15.8 94 102 A R H X S+ 0 0 118 -4,-2.3 4,-1.8 2,-0.2 -1,-0.2 0.916 111.9 45.8 -60.5 -41.5 57.0 23.1 19.0 95 103 A R H X S+ 0 0 83 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.896 112.4 51.1 -68.7 -40.9 54.5 20.5 18.0 96 104 A L H X S+ 0 0 0 -4,-2.8 4,-2.9 2,-0.2 5,-0.3 0.916 108.1 52.6 -59.6 -46.5 56.0 20.4 14.5 97 105 A A H X>S+ 0 0 10 -4,-3.0 5,-1.3 1,-0.2 4,-1.2 0.903 110.9 47.3 -58.8 -38.0 59.5 19.9 15.9 98 106 A K H <5S+ 0 0 182 -4,-1.8 -1,-0.2 -5,-0.2 -2,-0.2 0.926 115.5 45.1 -67.4 -42.7 58.3 17.0 18.0 99 107 A K H <5S+ 0 0 30 -4,-2.2 -30,-0.2 1,-0.2 -2,-0.2 0.904 122.1 33.8 -65.8 -47.0 56.5 15.4 15.1 100 108 A Y H <5S- 0 0 0 -4,-2.9 -28,-3.2 -5,-0.1 -1,-0.2 0.541 111.0-114.2 -93.6 -7.6 59.2 15.8 12.4 101 109 A G T <5S+ 0 0 30 -4,-1.2 -3,-0.2 -5,-0.3 -4,-0.1 0.817 77.0 94.9 79.9 35.7 62.1 15.3 14.7 102 110 A G < - 0 0 24 -5,-1.3 2,-0.3 -6,-0.3 -27,-0.2 -0.135 68.7 -76.9-126.3-136.0 63.8 18.7 14.7 103 111 A S E -d 75 0A 45 -29,-2.5 -27,-2.9 -2,-0.1 2,-0.3 -0.862 25.2-137.6-132.7 164.5 63.9 22.0 16.6 104 112 A S E -d 76 0A 40 -2,-0.3 2,-0.5 -29,-0.2 -27,-0.2 -0.939 5.6-152.3-126.1 156.1 61.9 25.2 17.0 105 113 A E E -d 77 0A 55 -29,-2.6 -27,-2.4 -2,-0.3 2,-0.1 -0.960 17.0-143.8-131.5 111.2 62.9 28.8 17.1 106 114 A T - 0 0 30 -2,-0.5 2,-0.7 -29,-0.2 -25,-0.1 -0.447 9.4-135.7 -79.4 142.4 60.7 31.3 19.1 107 115 A L - 0 0 6 -27,-0.3 2,-1.9 -2,-0.1 -25,-0.4 -0.913 22.3-144.9 -90.5 112.0 60.0 34.9 18.1 108 116 A Y + 0 0 162 -2,-0.7 20,-0.1 19,-0.2 -27,-0.1 -0.430 67.5 79.5 -82.0 64.4 60.5 36.6 21.5 109 117 A A S S- 0 0 14 -2,-1.9 -27,-2.4 91,-0.1 -2,-0.1 -0.969 85.4 -95.1-157.7 154.7 57.8 39.3 21.0 110 118 A P B -h 82 0C 56 0, 0.0 -29,-0.3 0, 0.0 -27,-0.2 -0.398 28.2-126.4 -71.5 157.6 54.0 39.4 21.3 111 119 A A S S+ 0 0 0 -29,-2.9 89,-2.6 -30,-0.2 2,-0.3 0.876 90.2 35.8 -66.0 -38.4 51.9 38.9 18.1 112 120 A Y B -I 199 0D 6 -30,-0.4 2,-0.3 87,-0.2 87,-0.2 -0.894 57.8-179.7-126.5 146.2 50.0 42.2 18.6 113 121 A V - 0 0 4 85,-1.9 46,-0.0 -2,-0.3 6,-0.0 -0.937 31.0-129.5-136.6 161.8 50.6 45.7 19.9 114 122 A N S S+ 0 0 102 -2,-0.3 84,-0.1 1,-0.1 3,-0.0 0.381 90.0 39.0 -92.8 6.9 48.3 48.6 20.3 115 123 A D S >> S- 0 0 59 82,-0.1 4,-2.1 1,-0.1 3,-1.1 -0.956 70.0-133.8-160.1 129.6 50.5 51.2 18.6 116 124 A P H 3> S+ 0 0 65 0, 0.0 4,-2.4 0, 0.0 5,-0.1 0.755 107.5 62.2 -60.8 -23.5 52.9 51.1 15.6 117 125 A S H 3> S+ 0 0 84 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.860 105.2 45.8 -67.9 -33.3 55.5 52.9 17.7 118 126 A L H <> S+ 0 0 68 -3,-1.1 4,-2.0 2,-0.2 5,-0.2 0.908 111.4 53.7 -72.6 -40.2 55.6 49.9 20.0 119 127 A R H X S+ 0 0 40 -4,-2.1 4,-2.8 78,-0.3 -2,-0.2 0.913 108.7 48.6 -52.2 -50.6 55.7 47.7 16.9 120 128 A S H X S+ 0 0 52 -4,-2.4 4,-1.8 1,-0.2 -1,-0.2 0.899 108.1 54.5 -61.6 -41.7 58.8 49.6 15.6 121 129 A A H < S+ 0 0 58 -4,-1.8 4,-0.3 1,-0.2 -1,-0.2 0.888 113.5 41.4 -61.7 -39.0 60.5 49.4 19.0 122 130 A F H >< S+ 0 0 54 -4,-2.0 3,-1.3 1,-0.2 6,-0.3 0.924 112.7 53.8 -72.4 -44.2 60.2 45.6 19.0 123 131 A X H 3< S+ 0 0 30 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.752 106.9 52.0 -63.4 -25.9 61.0 45.1 15.3 124 132 A E T 3< S+ 0 0 127 -4,-1.8 -1,-0.3 -5,-0.2 2,-0.2 0.569 84.5 111.5 -86.2 -9.7 64.3 47.1 15.7 125 133 A H S <> S- 0 0 97 -3,-1.3 4,-2.9 -4,-0.3 3,-0.5 -0.466 72.0-131.7 -72.5 132.2 65.4 44.9 18.6 126 134 A A H > S+ 0 0 74 1,-0.2 4,-1.9 -2,-0.2 5,-0.1 0.836 105.0 51.5 -53.5 -38.8 68.4 42.7 17.8 127 135 A T H > S+ 0 0 67 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.893 114.3 43.0 -68.2 -38.9 66.8 39.5 19.3 128 136 A I H > S+ 0 0 11 -3,-0.5 4,-2.4 -6,-0.3 5,-0.2 0.914 112.8 53.0 -71.4 -41.7 63.6 40.0 17.3 129 137 A K H X S+ 0 0 113 -4,-2.9 4,-2.2 1,-0.2 -2,-0.2 0.865 105.4 55.2 -64.7 -34.8 65.5 40.9 14.1 130 138 A E H X S+ 0 0 133 -4,-1.9 4,-1.8 -5,-0.3 -1,-0.2 0.935 110.8 42.9 -66.6 -44.2 67.6 37.8 14.3 131 139 A T H X S+ 0 0 18 -4,-1.3 4,-2.3 2,-0.2 -1,-0.2 0.908 113.3 51.4 -69.5 -41.8 64.6 35.4 14.4 132 140 A L H X S+ 0 0 4 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.873 108.3 53.9 -61.3 -34.4 62.8 37.3 11.7 133 141 A S H X S+ 0 0 52 -4,-2.2 4,-1.3 -5,-0.2 -1,-0.2 0.881 107.9 49.6 -65.2 -39.4 65.9 37.0 9.6 134 142 A Q H < S+ 0 0 56 -4,-1.8 -2,-0.2 2,-0.2 -1,-0.2 0.886 111.9 47.9 -64.7 -38.2 65.9 33.2 10.1 135 143 A A H >< S+ 0 0 0 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.906 108.6 54.2 -72.3 -34.2 62.3 33.0 9.1 136 144 A R H 3< S+ 0 0 86 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.3 50.9 -67.9 -30.2 62.9 35.2 6.0 137 145 A K T 3< S+ 0 0 160 -4,-1.3 -1,-0.3 -5,-0.1 -2,-0.2 0.218 85.6 124.6 -93.0 12.0 65.7 32.8 4.9 138 146 A A < - 0 0 1 -3,-1.6 74,-0.2 1,-0.1 -87,-0.1 -0.446 61.7-138.5 -75.3 151.1 63.5 29.7 5.3 139 147 A E S S+ 0 0 54 -89,-0.8 73,-1.2 71,-0.1 2,-0.3 0.784 87.7 26.9 -70.6 -33.8 63.0 27.2 2.4 140 148 A F E -ce 51 212A 6 -90,-1.7 -88,-2.7 71,-0.2 2,-0.4 -0.918 60.7-158.2-126.5 158.2 59.3 26.9 3.3 141 149 A A E -ce 52 213A 1 71,-2.1 73,-3.0 -2,-0.3 2,-0.6 -0.987 7.3-158.0-130.4 143.8 56.5 28.9 4.9 142 150 A L E +ce 53 214A 1 -90,-2.5 -88,-2.7 -2,-0.4 2,-0.3 -0.957 30.8 156.6-120.7 107.9 53.4 27.2 6.3 143 151 A V E - e 0 215A 0 71,-2.7 73,-2.1 -2,-0.6 2,-0.3 -0.961 35.0-136.1-136.2 153.4 50.6 29.7 6.5 144 152 A G E - e 0 216A 6 -89,-0.4 35,-2.6 -2,-0.3 2,-0.6 -0.706 19.8-130.3-100.1 158.2 46.8 29.9 6.6 145 153 A I E -J 178 0E 3 71,-1.9 2,-0.2 -2,-0.3 33,-0.2 -0.953 34.0-168.1-106.5 118.7 44.7 32.3 4.6 146 154 A G E -J 177 0E 1 31,-2.4 31,-1.8 -2,-0.6 2,-0.2 -0.665 17.3-130.9-107.3 158.1 42.2 33.9 7.0 147 155 A D E >> -J 176 0E 16 -2,-0.2 3,-1.6 29,-0.2 4,-0.9 -0.673 40.2 -97.6 -98.6 164.9 39.2 36.0 6.5 148 156 A X H >> S+ 0 0 8 27,-0.5 3,-1.3 1,-0.3 4,-0.5 0.872 124.8 58.0 -50.2 -40.3 38.7 39.3 8.3 149 157 A D H >4 S+ 0 0 100 1,-0.3 3,-1.2 2,-0.2 -1,-0.3 0.856 97.6 60.0 -58.0 -36.0 36.5 37.5 10.9 150 158 A E H <4 S+ 0 0 43 -3,-1.6 3,-0.4 1,-0.3 -1,-0.3 0.762 105.3 50.0 -66.5 -23.4 39.3 35.1 11.7 151 159 A N H X< S+ 0 0 2 -3,-1.3 3,-2.7 -4,-0.9 4,-0.5 0.516 74.6 107.7 -90.4 -6.2 41.4 38.2 12.8 152 160 A S T XX + 0 0 42 -3,-1.2 4,-2.6 -4,-0.5 3,-0.6 0.644 61.2 80.1 -47.8 -18.2 38.7 39.6 15.0 153 161 A H H 3> S+ 0 0 9 -3,-0.4 4,-2.7 1,-0.2 -1,-0.3 0.810 80.7 63.7 -62.7 -29.4 40.8 38.5 18.0 154 162 A X H <4>S+ 0 0 0 -3,-2.7 5,-2.4 2,-0.2 6,-0.9 0.908 110.9 40.6 -58.8 -35.0 43.0 41.6 17.6 155 163 A V H X45S+ 0 0 28 -3,-0.6 3,-2.0 -4,-0.5 -2,-0.2 0.955 114.2 49.0 -76.1 -50.8 39.9 43.5 18.4 156 164 A K H 3<5S+ 0 0 158 -4,-2.6 -2,-0.2 1,-0.3 -3,-0.2 0.827 110.4 53.7 -61.9 -28.2 38.6 41.3 21.1 157 165 A L T 3<5S- 0 0 71 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.490 118.2-112.8 -84.5 -3.8 42.0 41.4 22.8 158 166 A G T < 5S+ 0 0 58 -3,-2.0 -3,-0.2 2,-0.3 -2,-0.1 0.611 85.6 113.5 89.9 14.3 42.0 45.2 22.8 159 167 A F S - 0 0 64 -2,-0.3 4,-2.4 1,-0.1 5,-0.1 -0.439 21.6-122.7 -77.6 152.5 39.1 49.1 17.8 162 170 A P H > S+ 0 0 90 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.907 117.3 54.3 -54.0 -42.0 35.9 47.6 16.2 163 171 A K H > S+ 0 0 138 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.941 108.3 47.2 -58.5 -47.5 35.6 50.9 14.3 164 172 A E H > S+ 0 0 39 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.882 110.6 54.5 -60.0 -39.4 39.2 50.5 13.0 165 173 A F H X S+ 0 0 31 -4,-2.4 4,-1.5 2,-0.2 -2,-0.2 0.931 108.9 44.9 -62.4 -48.0 38.5 46.9 12.0 166 174 A V H X S+ 0 0 82 -4,-2.5 4,-2.8 1,-0.2 -1,-0.2 0.917 112.9 53.8 -64.2 -38.7 35.4 47.7 9.9 167 175 A E H X>S+ 0 0 62 -4,-2.2 4,-2.5 -5,-0.2 5,-1.5 0.840 100.0 59.6 -66.2 -33.0 37.4 50.6 8.4 168 176 A A H <5S+ 0 0 2 -4,-2.1 6,-2.2 3,-0.2 -1,-0.2 0.917 114.6 38.1 -57.9 -42.4 40.3 48.3 7.4 169 177 A R H X5S+ 0 0 118 -4,-1.5 4,-0.6 4,-0.2 -2,-0.2 0.937 126.0 35.3 -70.7 -49.2 37.8 46.3 5.3 170 178 A L H <5S+ 0 0 124 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.912 129.2 27.5 -79.5 -45.7 35.7 49.2 4.0 171 179 A N T <5S+ 0 0 117 -4,-2.5 -3,-0.2 -5,-0.2 -2,-0.1 0.898 132.5 32.8 -83.4 -45.3 38.2 52.0 3.5 172 180 A D T 4> S-JK 145 182E 0 4,-2.4 3,-1.2 -2,-0.3 4,-1.1 -0.994 83.3 -15.0-121.8 124.8 48.1 35.4 5.3 179 187 A G T 34 S- 0 0 1 -35,-2.6 -124,-1.7 -2,-0.5 -34,-0.1 0.375 109.7 -82.1 71.7 -2.0 49.9 33.7 8.2 180 188 A G T 34 S+ 0 0 3 2,-0.3 -1,-0.3 -36,-0.3 3,-0.1 0.211 122.4 82.2 89.8 -12.5 48.2 36.2 10.6 181 189 A F T <4 S+ 0 0 2 -3,-1.2 2,-0.3 1,-0.1 -2,-0.2 0.551 86.9 33.5-111.7 -12.0 50.9 38.7 9.8 182 190 A D E < -K 178 0E 4 -4,-1.1 -4,-2.4 21,-0.1 2,-0.3 -0.987 61.9-147.5-147.7 161.6 50.0 40.5 6.6 183 191 A F E -K 177 0E 0 -2,-0.3 8,-0.5 -6,-0.2 2,-0.3 -0.897 11.6-170.0-133.2 148.2 46.8 41.6 4.9 184 192 A F E -KL 176 190E 0 -8,-1.9 -9,-2.8 -2,-0.3 -8,-1.1 -0.929 19.4-119.2-140.5 164.4 45.7 42.0 1.2 185 193 A K E > -K 174 0E 67 4,-2.2 3,-1.8 -2,-0.3 -11,-0.2 -0.429 42.2 -98.7 -95.4 171.5 43.0 43.3 -1.0 186 194 A L T 3 S+ 0 0 67 -13,-0.6 45,-0.2 1,-0.3 -12,-0.1 0.832 124.0 55.9 -62.9 -28.2 40.9 41.3 -3.4 187 195 A D T 3 S- 0 0 87 2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.435 118.2-111.0 -84.7 0.5 43.1 42.4 -6.3 188 196 A G S < S+ 0 0 7 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.459 74.4 130.6 88.6 -0.5 46.2 41.0 -4.5 189 197 A T - 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0 0 3 -123,-2.4 2,-0.3 -2,-0.3 -123,-0.0 -0.097 53.7-138.1 -63.7 169.3 57.0 38.8 8.6 203 211 A E >> - 0 0 63 -21,-0.1 4,-1.7 1,-0.0 3,-1.1 -0.806 29.5 -92.8-127.1 174.0 55.5 40.8 5.7 204 212 A X H 3> S+ 0 0 0 1,-0.3 4,-1.9 -2,-0.3 -22,-0.1 0.873 121.1 56.8 -56.0 -41.7 54.3 40.0 2.2 205 213 A E H 3> S+ 0 0 104 1,-0.2 4,-0.9 2,-0.2 -1,-0.3 0.814 104.1 54.1 -63.0 -29.8 57.6 40.8 0.6 206 214 A D H X4 S+ 0 0 16 -3,-1.1 3,-0.8 1,-0.2 4,-0.3 0.931 108.3 48.8 -66.6 -45.3 59.3 38.2 2.8 207 215 A L H >< S+ 0 0 0 -4,-1.7 3,-1.3 1,-0.2 -2,-0.2 0.850 102.3 63.7 -63.2 -31.1 56.9 35.6 1.6 208 216 A R H 3< S+ 0 0 104 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.833 108.3 41.3 -63.9 -29.6 57.5 36.6 -2.0 209 217 A Q T << S+ 0 0 100 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.303 87.7 102.7-102.6 10.0 61.1 35.5 -1.6 210 218 A I S < S- 0 0 3 -3,-1.3 3,-0.4 -4,-0.3 -71,-0.1 -0.813 71.1-138.6 -88.4 128.8 60.5 32.3 0.3 211 219 A P S S+ 0 0 65 0, 0.0 2,-0.3 0, 0.0 -71,-0.2 0.816 88.1 30.2 -61.8 -32.9 60.9 29.4 -2.2 212 220 A N E +e 140 0A 23 -73,-1.2 -71,-2.1 -74,-0.2 2,-0.7 -0.690 65.5 178.4-135.1 82.2 58.0 27.3 -1.0 213 221 A V E -e 141 0A 0 -3,-0.4 24,-2.8 21,-0.4 23,-2.3 -0.744 12.8-163.5 -84.5 114.0 55.1 29.2 0.5 214 222 A V E -ef 142 237A 0 -73,-3.0 -71,-2.7 -2,-0.7 2,-0.4 -0.912 8.6-169.8-103.0 117.1 52.5 26.6 1.4 215 223 A A E -ef 143 238A 0 22,-2.9 24,-2.8 -2,-0.7 2,-0.4 -0.899 1.3-162.7-117.8 140.9 49.1 28.2 2.0 216 224 A X E +ef 144 239A 2 -73,-2.1 -71,-1.9 -2,-0.4 2,-0.3 -0.948 18.7 154.6-131.3 127.9 46.1 26.5 3.4 217 225 A A - 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