==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 11-FEB-11 3QP4 . COMPND 2 MOLECULE: CVIR TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: CHROMOBACTERIUM VIOLACEUM; . AUTHOR G.CHEN,L.SWEM,D.SWEM,D.STAUFF,C.O'LOUGHLIN,P.JEFFREY,B.BASSL . 178 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 125 70.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 16.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 . 8 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 63 35.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 1 0 0 1 0 0 2 0 1 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 1 0 0 0 0 2 1 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 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 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 9 A M 0 0 228 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 120.9 10.1 35.1 42.5 2 10 A R - 0 0 58 162,-0.1 2,-0.0 1,-0.1 0, 0.0 -0.369 360.0-109.1 -66.0 136.5 11.8 33.0 39.9 3 11 A P - 0 0 111 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 -0.335 31.8-106.4 -68.0 146.5 10.9 33.8 36.3 4 12 A L - 0 0 127 1,-0.1 158,-0.1 161,-0.0 157,-0.0 -0.375 47.0 -90.4 -67.6 150.7 8.7 31.5 34.2 5 13 A P - 0 0 28 0, 0.0 2,-0.3 0, 0.0 3,-0.3 -0.291 33.6-142.6 -65.6 143.9 10.5 29.5 31.5 6 14 A A S S+ 0 0 103 1,-0.2 155,-0.1 -3,-0.1 0, 0.0 -0.764 78.3 34.2 -97.4 154.1 10.9 30.8 27.9 7 15 A G S S+ 0 0 79 -2,-0.3 2,-0.2 1,-0.3 -1,-0.2 0.527 75.2 148.0 86.0 8.1 10.6 28.5 24.9 8 16 A L - 0 0 18 -3,-0.3 -1,-0.3 1,-0.1 2,-0.1 -0.497 46.4-122.8 -73.0 142.9 8.0 26.0 26.2 9 17 A T > - 0 0 69 -2,-0.2 4,-3.0 1,-0.1 5,-0.2 -0.374 32.6-102.1 -70.6 164.1 5.6 24.4 23.8 10 18 A A H > S+ 0 0 79 1,-0.2 4,-2.3 2,-0.2 5,-0.1 0.845 126.1 51.8 -56.3 -37.7 1.8 24.9 24.4 11 19 A S H > S+ 0 0 80 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.900 111.2 46.1 -65.9 -41.7 1.7 21.4 25.8 12 20 A Q H > S+ 0 0 49 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.895 112.1 51.6 -68.0 -41.0 4.6 22.1 28.2 13 21 A Q H X S+ 0 0 116 -4,-3.0 4,-2.6 1,-0.2 -2,-0.2 0.926 111.3 48.0 -58.9 -44.1 3.0 25.4 29.2 14 22 A W H X S+ 0 0 150 -4,-2.3 4,-3.1 -5,-0.2 -2,-0.2 0.916 109.5 52.2 -64.6 -43.7 -0.2 23.5 29.9 15 23 A T H X S+ 0 0 31 -4,-2.3 4,-2.7 2,-0.2 -2,-0.2 0.945 111.2 47.0 -55.7 -46.7 1.6 20.9 31.9 16 24 A L H X S+ 0 0 9 -4,-2.5 4,-2.7 2,-0.2 5,-0.3 0.910 111.8 50.5 -65.1 -43.5 3.3 23.5 34.1 17 25 A L H X S+ 0 0 98 -4,-2.6 4,-2.6 2,-0.2 5,-0.2 0.937 111.7 48.1 -56.2 -49.3 -0.0 25.3 34.5 18 26 A E H X S+ 0 0 89 -4,-3.1 4,-2.9 1,-0.2 5,-0.2 0.915 111.7 51.0 -56.6 -44.0 -1.7 22.0 35.6 19 27 A W H X S+ 0 0 12 -4,-2.7 4,-2.8 -5,-0.2 -2,-0.2 0.944 113.8 41.6 -62.6 -48.7 1.2 21.3 38.0 20 28 A I H X S+ 0 0 39 -4,-2.7 4,-1.8 2,-0.2 -1,-0.2 0.897 115.5 51.1 -69.7 -34.6 1.1 24.7 39.8 21 29 A H H < S+ 0 0 124 -4,-2.6 4,-0.3 -5,-0.3 -2,-0.2 0.955 113.9 44.3 -63.2 -49.0 -2.7 24.7 39.8 22 30 A M H >< S+ 0 0 86 -4,-2.9 3,-2.1 -5,-0.2 4,-0.5 0.919 108.9 57.4 -61.0 -43.4 -2.7 21.2 41.4 23 31 A A H >< S+ 0 0 0 -4,-2.8 3,-1.5 1,-0.3 -1,-0.2 0.891 99.9 59.0 -57.8 -40.1 0.1 22.1 43.8 24 32 A G T 3< S+ 0 0 46 -4,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.579 104.1 51.7 -65.3 -9.6 -2.0 24.9 45.2 25 33 A H T < S+ 0 0 122 -3,-2.1 2,-0.3 -4,-0.3 -1,-0.3 0.408 80.8 116.8-104.8 -3.2 -4.8 22.5 46.1 26 34 A I < + 0 0 7 -3,-1.5 150,-0.1 -4,-0.5 151,-0.1 -0.532 22.4 152.0 -73.6 127.7 -2.5 20.1 48.1 27 35 A E + 0 0 105 -2,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.626 55.0 50.5-124.7 -29.0 -3.4 19.8 51.8 28 36 A T S > S- 0 0 60 1,-0.1 4,-2.3 150,-0.0 -1,-0.1 -0.769 76.8-118.1-119.6 160.3 -2.4 16.3 52.9 29 37 A E H > S+ 0 0 112 -2,-0.3 4,-2.8 1,-0.2 5,-0.2 0.868 116.5 53.9 -60.4 -40.6 0.7 14.1 52.7 30 38 A N H > S+ 0 0 136 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.915 110.0 46.9 -58.7 -45.5 -1.2 11.5 50.7 31 39 A E H > S+ 0 0 90 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.889 112.1 51.2 -63.3 -40.6 -2.2 14.2 48.1 32 40 A L H X S+ 0 0 5 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.933 111.8 45.2 -65.5 -47.3 1.4 15.5 48.0 33 41 A K H X S+ 0 0 75 -4,-2.8 4,-2.3 2,-0.2 -2,-0.2 0.934 113.2 50.9 -59.7 -47.2 2.9 12.0 47.3 34 42 A A H X S+ 0 0 51 -4,-2.5 4,-1.6 1,-0.2 -2,-0.2 0.908 111.6 48.1 -58.2 -42.5 0.2 11.3 44.7 35 43 A F H X S+ 0 0 10 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.930 110.2 50.5 -65.6 -43.7 1.0 14.5 43.0 36 44 A L H X S+ 0 0 0 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.841 105.4 58.2 -63.9 -32.9 4.7 13.9 43.0 37 45 A D H X S+ 0 0 69 -4,-2.3 4,-1.7 2,-0.2 -1,-0.2 0.909 108.0 47.0 -56.6 -45.0 4.0 10.5 41.5 38 46 A Q H < S+ 0 0 117 -4,-1.6 4,-0.3 2,-0.2 -2,-0.2 0.893 111.4 49.2 -68.8 -41.8 2.3 12.2 38.6 39 47 A V H >< S+ 0 0 1 -4,-2.1 3,-1.8 1,-0.2 -2,-0.2 0.922 109.8 52.6 -59.6 -46.3 5.1 14.7 38.1 40 48 A L H >< S+ 0 0 19 -4,-2.6 3,-2.0 1,-0.3 5,-0.4 0.853 98.0 64.9 -61.9 -35.2 7.7 11.9 38.2 41 49 A S T 3< S+ 0 0 76 -4,-1.7 -1,-0.3 1,-0.3 -2,-0.2 0.616 102.1 51.7 -61.2 -13.5 5.8 10.1 35.5 42 50 A Q T < S+ 0 0 121 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.343 101.2 75.0-103.0 3.1 6.7 13.1 33.2 43 51 A A S < S- 0 0 13 -3,-2.0 2,-2.2 2,-0.2 109,-0.0 -0.879 87.0-114.4-119.9 147.5 10.4 13.0 33.9 44 52 A P S S+ 0 0 58 0, 0.0 108,-0.4 0, 0.0 2,-0.3 -0.393 89.7 77.0 -79.4 64.0 13.2 10.7 32.7 45 53 A S - 0 0 20 -2,-2.2 -2,-0.2 -5,-0.4 105,-0.1 -0.968 59.8-155.8-158.8 160.8 13.9 9.3 36.2 46 54 A E S S+ 0 0 166 -2,-0.3 2,-0.5 103,-0.2 104,-0.1 0.285 75.8 81.9-119.3 5.4 12.3 6.9 38.6 47 55 A R + 0 0 77 102,-0.5 102,-2.5 -7,-0.1 2,-0.4 -0.909 49.6 154.9-126.9 107.9 13.9 8.4 41.8 48 56 A L E +A 148 0A 0 -2,-0.5 23,-2.5 100,-0.2 22,-1.5 -0.974 10.9 175.5-135.0 141.8 12.4 11.5 43.5 49 57 A L E -AB 147 69A 14 98,-2.2 98,-3.0 -2,-0.4 2,-0.4 -0.995 10.7-161.7-143.9 140.8 12.5 12.8 47.1 50 58 A L E -AB 146 68A 3 18,-2.4 18,-3.4 -2,-0.3 2,-0.4 -0.975 13.6-176.7-119.1 137.3 11.1 16.0 48.7 51 59 A A E -AB 145 67A 3 94,-2.4 94,-2.5 -2,-0.4 2,-0.4 -0.995 15.6-153.5-135.5 146.1 12.3 17.3 52.0 52 60 A L E +AB 144 66A 4 14,-2.8 13,-2.8 -2,-0.4 14,-1.9 -0.946 24.7 175.6-114.8 132.9 11.4 20.3 54.2 53 61 A G E -AB 143 64A 0 90,-3.1 90,-2.6 -2,-0.4 2,-0.3 -0.962 35.0-115.9-139.9 156.0 14.0 21.7 56.6 54 62 A R E -AB 142 63A 82 9,-2.5 8,-3.3 -2,-0.3 9,-1.6 -0.734 44.3-139.7 -84.5 141.8 14.6 24.5 59.1 55 63 A L E - B 0 61A 4 86,-2.7 6,-0.2 -2,-0.3 2,-0.1 -0.705 6.5-132.0-112.5 153.3 17.4 26.8 57.8 56 64 A N > - 0 0 43 4,-2.7 3,-1.7 -2,-0.3 -1,-0.1 -0.188 52.5 -81.3 -81.1-173.5 20.4 28.7 59.1 57 65 A N T 3 S+ 0 0 153 1,-0.3 -1,-0.0 2,-0.1 84,-0.0 0.597 131.4 54.1 -72.5 -7.0 21.0 32.3 58.3 58 66 A Q T 3 S- 0 0 121 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.074 120.7-105.5-109.7 20.5 22.5 31.4 55.0 59 67 A N S < S+ 0 0 26 -3,-1.7 37,-2.5 1,-0.2 2,-0.3 0.712 75.3 138.0 64.6 24.4 19.5 29.4 53.9 60 68 A Q - 0 0 34 35,-0.2 -4,-2.7 1,-0.0 -1,-0.2 -0.783 64.2 -99.4 -96.2 145.9 21.2 26.0 54.4 61 69 A I E +B 55 0A 25 33,-0.5 -6,-0.3 31,-0.4 3,-0.1 -0.443 42.1 170.3 -62.8 123.1 19.2 23.2 56.1 62 70 A Q E S+ 0 0 137 -8,-3.3 2,-0.3 1,-0.4 -7,-0.2 0.594 73.1 17.5-104.5 -21.3 20.2 22.9 59.8 63 71 A R E S-B 54 0A 159 -9,-1.6 -9,-2.5 -7,-0.0 2,-0.5 -0.952 72.8-130.8-150.1 130.2 17.4 20.4 60.6 64 72 A L E +B 53 0A 67 -2,-0.3 -11,-0.3 -11,-0.2 3,-0.1 -0.716 24.8 177.8 -77.7 125.5 15.3 18.1 58.5 65 73 A E E + 0 0 58 -13,-2.8 2,-0.3 -2,-0.5 -12,-0.2 0.811 65.9 4.2 -94.7 -42.6 11.6 18.6 59.5 66 74 A R E -B 52 0A 123 -14,-1.9 -14,-2.8 2,-0.0 2,-0.5 -0.989 56.8-162.6-149.5 134.1 9.9 16.2 57.0 67 75 A V E -B 51 0A 74 -2,-0.3 2,-0.7 -16,-0.2 -16,-0.2 -0.991 3.4-168.4-118.4 124.9 11.1 13.8 54.4 68 76 A L E -B 50 0A 19 -18,-3.4 -18,-2.4 -2,-0.5 2,-0.7 -0.885 8.7-163.0-110.9 97.6 8.7 12.7 51.7 69 77 A N E +B 49 0A 46 -2,-0.7 -20,-0.2 -20,-0.2 -2,-0.0 -0.706 16.0 171.4 -79.7 116.9 10.3 9.8 49.9 70 78 A V S S- 0 0 14 -22,-1.5 -21,-0.2 -2,-0.7 -1,-0.2 0.898 77.4 -22.0 -88.6 -50.0 8.5 9.3 46.6 71 79 A S S S+ 0 0 35 -23,-2.5 -22,-0.2 2,-0.1 -2,-0.1 0.268 84.4 132.6-156.1 19.8 10.8 6.8 45.0 72 80 A Y S S- 0 0 22 -24,-0.7 2,-0.1 -25,-0.1 -25,-0.0 -0.528 74.8 -90.5 -62.5 142.4 14.4 6.8 46.4 73 81 A P > - 0 0 37 0, 0.0 4,-2.0 0, 0.0 3,-0.4 -0.392 30.8-137.7 -56.4 128.4 15.4 3.1 47.1 74 82 A S H > S+ 0 0 78 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.858 104.2 55.8 -57.9 -37.4 14.5 2.3 50.7 75 83 A D H > S+ 0 0 122 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.877 106.0 50.9 -63.2 -38.2 17.8 0.5 51.2 76 84 A W H > S+ 0 0 7 -3,-0.4 4,-2.5 2,-0.2 -2,-0.2 0.911 112.1 46.6 -64.3 -42.6 19.7 3.7 50.1 77 85 A L H X S+ 0 0 29 -4,-2.0 4,-2.3 2,-0.2 -2,-0.2 0.902 110.2 53.0 -67.5 -39.4 17.7 5.8 52.6 78 86 A D H X S+ 0 0 92 -4,-2.8 4,-2.5 1,-0.2 -2,-0.2 0.907 112.8 44.9 -58.8 -42.7 18.3 3.2 55.3 79 87 A Q H X S+ 0 0 49 -4,-2.1 4,-2.9 2,-0.2 6,-0.3 0.903 109.2 55.6 -66.4 -41.8 22.0 3.4 54.6 80 88 A Y H <>S+ 0 0 34 -4,-2.5 5,-2.2 1,-0.2 6,-0.5 0.905 113.8 41.2 -59.2 -43.7 21.9 7.2 54.5 81 89 A M H ><5S+ 0 0 137 -4,-2.3 3,-1.1 3,-0.2 -2,-0.2 0.946 116.6 47.3 -67.5 -50.7 20.4 7.3 58.0 82 90 A K H 3<5S+ 0 0 164 -4,-2.5 -2,-0.2 1,-0.2 -3,-0.2 0.853 115.3 45.2 -61.5 -38.7 22.6 4.5 59.5 83 91 A E T 3<5S- 0 0 87 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.289 108.1-118.7 -95.8 7.0 25.9 5.9 58.1 84 92 A N T X 5 + 0 0 84 -3,-1.1 3,-1.6 -4,-0.2 4,-0.3 0.827 54.6 158.3 67.6 32.1 25.2 9.6 59.0 85 93 A Y G >>< + 0 0 20 -5,-2.2 4,-2.3 -6,-0.3 3,-1.6 0.736 58.2 77.3 -66.4 -21.7 25.4 10.7 55.4 86 94 A A G 34 S+ 0 0 29 -6,-0.5 -1,-0.3 1,-0.3 6,-0.1 0.834 94.3 51.9 -55.0 -30.5 23.4 13.9 56.2 87 95 A Q G <4 S+ 0 0 102 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.676 119.8 32.8 -81.1 -14.6 26.6 15.3 57.6 88 96 A H T <4 S+ 0 0 46 -3,-1.6 -2,-0.2 -4,-0.3 -1,-0.2 0.553 85.5 108.9-117.6 -14.1 28.6 14.5 54.5 89 97 A D >< - 0 0 14 -4,-2.3 3,-1.3 1,-0.2 4,-0.3 -0.572 55.6-153.2 -76.4 113.9 26.2 14.9 51.5 90 98 A P G > S+ 0 0 7 0, 0.0 3,-1.4 0, 0.0 4,-0.2 0.784 92.1 66.0 -55.7 -28.3 27.2 18.0 49.6 91 99 A I G > S+ 0 0 9 1,-0.3 3,-1.2 2,-0.2 -5,-0.1 0.849 94.9 56.2 -67.8 -30.8 23.6 18.3 48.4 92 100 A L G < S+ 0 0 20 -3,-1.3 -31,-0.4 1,-0.2 -1,-0.3 0.532 99.8 62.0 -77.2 -3.2 22.4 19.0 52.0 93 101 A R G < S+ 0 0 126 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.2 0.365 77.3 124.4 -99.1 2.6 24.9 22.0 52.1 94 102 A I < - 0 0 5 -3,-1.2 2,-0.9 -4,-0.2 -33,-0.5 -0.284 69.5-120.0 -60.9 144.3 23.2 23.9 49.3 95 103 A H > - 0 0 73 -35,-0.1 3,-1.4 4,-0.1 -35,-0.2 -0.807 39.4-127.4 -81.8 104.4 22.0 27.4 49.9 96 104 A L T 3 S+ 0 0 1 -37,-2.5 40,-0.1 -2,-0.9 49,-0.1 -0.275 87.6 26.3 -62.7 140.2 18.3 26.9 49.3 97 105 A G T 3 S+ 0 0 33 47,-0.2 -1,-0.2 2,-0.1 39,-0.1 0.448 89.0 107.5 90.9 3.3 16.7 29.3 46.8 98 106 A Q S < S- 0 0 159 -3,-1.4 -2,-0.1 1,-0.3 37,-0.1 0.297 89.9 -79.0-100.0 9.5 19.9 30.0 44.9 99 107 A G - 0 0 26 35,-0.2 -1,-0.3 -4,-0.1 -2,-0.1 -0.232 65.3 -45.6 113.8 160.7 19.1 27.9 41.7 100 108 A P - 0 0 49 0, 0.0 2,-0.5 0, 0.0 33,-0.2 -0.284 53.8-145.4 -60.6 143.7 19.0 24.2 40.6 101 109 A V E -C 132 0A 9 31,-2.3 31,-2.2 -10,-0.0 2,-0.4 -0.963 0.5-146.2-117.6 121.8 22.1 22.3 41.6 102 110 A M E > -C 131 0A 74 -2,-0.5 4,-1.9 29,-0.2 29,-0.2 -0.749 11.4-145.5 -85.2 128.2 23.5 19.5 39.3 103 111 A W H > S+ 0 0 10 27,-2.6 4,-3.6 -2,-0.4 5,-0.2 0.899 94.4 54.8 -66.7 -42.9 25.0 16.8 41.5 104 112 A E H > S+ 0 0 85 26,-0.4 4,-2.4 1,-0.2 -1,-0.2 0.917 110.0 48.4 -57.8 -45.3 27.9 15.8 39.2 105 113 A E H > S+ 0 0 68 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.924 116.0 43.3 -57.6 -48.2 29.1 19.4 39.1 106 114 A R H >< S+ 0 0 76 -4,-1.9 3,-0.7 1,-0.2 -2,-0.2 0.903 113.6 51.0 -67.5 -41.0 28.8 19.7 42.9 107 115 A F H >< S+ 0 0 15 -4,-3.6 3,-1.5 1,-0.2 -2,-0.2 0.874 103.6 58.2 -65.9 -38.5 30.4 16.3 43.5 108 116 A N H 3< S+ 0 0 143 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.753 105.0 52.8 -61.9 -24.7 33.4 17.1 41.2 109 117 A R T << S+ 0 0 186 -4,-0.7 2,-0.3 -3,-0.7 -1,-0.3 0.404 82.6 114.3 -92.0 -1.9 34.2 20.1 43.4 110 118 A A < + 0 0 15 -3,-1.5 -3,-0.0 -4,-0.2 -4,-0.0 -0.577 31.6 168.6 -78.6 132.9 34.2 18.1 46.7 111 119 A K + 0 0 184 -2,-0.3 -1,-0.1 5,-0.0 -4,-0.0 0.638 40.4 104.3-115.0 -26.8 37.6 17.9 48.5 112 120 A G > - 0 0 29 1,-0.1 4,-2.4 -24,-0.1 5,-0.2 -0.308 69.2-131.2 -65.9 144.4 36.9 16.4 51.9 113 121 A A H > S+ 0 0 76 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.899 108.5 44.8 -61.3 -44.6 37.7 12.8 52.6 114 122 A E H > S+ 0 0 79 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.850 112.2 53.6 -70.7 -36.0 34.3 12.0 54.1 115 123 A E H > S+ 0 0 65 2,-0.2 4,-2.5 1,-0.2 -2,-0.2 0.918 109.3 47.9 -59.5 -48.5 32.6 13.8 51.3 116 124 A K H X S+ 0 0 123 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.884 109.8 53.3 -62.5 -40.7 34.5 11.8 48.7 117 125 A R H X S+ 0 0 153 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.937 110.3 47.2 -56.7 -51.5 33.6 8.6 50.6 118 126 A F H X S+ 0 0 6 -4,-2.4 4,-3.2 1,-0.2 5,-0.2 0.919 111.1 51.5 -55.1 -47.4 29.9 9.5 50.4 119 127 A I H X S+ 0 0 25 -4,-2.5 4,-2.8 2,-0.2 -2,-0.2 0.912 108.5 51.3 -59.4 -43.6 30.1 10.4 46.7 120 128 A A H X S+ 0 0 52 -4,-2.5 4,-2.1 2,-0.2 -1,-0.2 0.931 114.1 44.0 -60.2 -44.2 31.7 7.0 45.9 121 129 A E H X S+ 0 0 52 -4,-2.2 4,-1.4 2,-0.2 -2,-0.2 0.906 112.4 50.7 -68.6 -42.9 28.9 5.2 47.8 122 130 A A H <>S+ 0 0 1 -4,-3.2 5,-3.0 1,-0.2 3,-0.5 0.941 109.6 53.0 -58.4 -44.2 26.2 7.3 46.3 123 131 A T H ><5S+ 0 0 80 -4,-2.8 3,-1.8 4,-0.3 5,-0.4 0.919 106.5 51.1 -57.4 -47.9 27.7 6.5 42.9 124 132 A Q H 3<5S+ 0 0 152 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.773 108.8 54.3 -60.4 -26.6 27.6 2.8 43.5 125 133 A N T 3<5S- 0 0 50 -4,-1.4 -1,-0.3 -3,-0.5 -2,-0.2 0.246 123.7-102.0 -95.5 14.3 24.0 3.1 44.5 126 134 A G T < 5S+ 0 0 47 -3,-1.8 3,-0.2 -5,-0.1 -3,-0.2 0.647 97.5 108.5 78.8 18.4 23.0 4.9 41.2 127 135 A M < + 0 0 4 -5,-3.0 -4,-0.3 -6,-0.2 -5,-0.1 -0.041 36.5 105.3-116.1 26.1 22.9 8.3 42.9 128 136 A G S S+ 0 0 13 -5,-0.4 2,-0.4 -6,-0.4 -5,-0.2 0.678 82.4 41.9 -81.0 -18.1 26.0 9.8 41.3 129 137 A S S S+ 0 0 12 -3,-0.2 21,-3.2 -7,-0.1 2,-0.3 -0.978 74.5 98.6-131.4 142.9 24.0 12.0 39.0 130 138 A G E - D 0 149A 9 -2,-0.4 -27,-2.6 19,-0.3 -26,-0.4 -0.984 51.6 -99.9 169.1-169.2 20.9 14.1 39.6 131 139 A I E -CD 102 148A 1 17,-2.5 17,-2.7 -2,-0.3 2,-0.5 -0.999 15.1-156.8-143.9 142.8 19.5 17.5 40.3 132 140 A T E -CD 101 147A 1 -31,-2.2 -31,-2.3 -2,-0.3 2,-0.3 -0.985 8.2-168.9-125.5 122.1 18.2 19.4 43.3 133 141 A F E - D 0 146A 0 13,-2.9 13,-2.8 -2,-0.5 2,-0.3 -0.705 15.3-172.9 -98.7 157.6 15.7 22.3 43.1 134 142 A S E - D 0 145A 1 -2,-0.3 2,-0.3 11,-0.2 11,-0.2 -0.988 20.3-171.2-153.7 158.2 15.0 24.4 46.1 135 143 A A E - D 0 144A 3 9,-2.0 9,-2.4 -2,-0.3 2,-0.3 -0.983 11.1-160.0-146.4 150.0 12.9 27.2 47.7 136 144 A A E - D 0 143A 34 -2,-0.3 2,-0.5 7,-0.2 7,-0.3 -0.990 7.9-160.3-135.8 144.0 13.1 29.1 50.9 137 145 A S E > > - D 0 142A 23 5,-3.4 5,-2.5 -2,-0.3 3,-0.5 -0.992 3.0-166.9-117.6 121.3 10.7 31.2 53.0 138 146 A E T 3 5S+ 0 0 136 -2,-0.5 -1,-0.1 3,-0.2 3,-0.1 0.477 72.6 94.8 -89.1 1.7 12.3 33.6 55.5 139 147 A R T 3 5S- 0 0 182 1,-0.2 -1,-0.2 3,-0.1 0, 0.0 0.923 119.8 -5.7 -49.9 -46.3 8.9 34.0 57.2 140 148 A N T < 5S- 0 0 43 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 -0.092 104.4 -99.4-144.0 47.2 10.2 31.3 59.5 141 149 A N T 5S+ 0 0 64 1,-0.2 -86,-2.7 -87,-0.1 2,-0.4 0.904 75.8 141.9 39.2 61.4 13.6 30.2 58.0 142 150 A I E < +AD 54 137A 10 -5,-2.5 -5,-3.4 -88,-0.2 2,-0.3 -0.986 22.7 170.9-133.0 142.4 12.1 27.2 56.3 143 151 A G E -AD 53 136A 0 -90,-2.6 -90,-3.1 -2,-0.4 2,-0.4 -0.969 19.3-138.9-147.7 162.9 12.9 25.7 52.9 144 152 A S E -AD 52 135A 1 -9,-2.4 -9,-2.0 -2,-0.3 2,-0.4 -0.953 5.5-156.7-125.7 147.6 12.3 22.7 50.7 145 153 A I E -AD 51 134A 5 -94,-2.5 -94,-2.4 -2,-0.4 2,-0.5 -0.955 1.5-162.0-115.5 140.5 14.4 20.6 48.4 146 154 A L E -AD 50 133A 0 -13,-2.8 -13,-2.9 -2,-0.4 2,-0.4 -0.985 16.4-169.4-118.8 117.2 13.2 18.5 45.5 147 155 A S E -AD 49 132A 6 -98,-3.0 -98,-2.2 -2,-0.5 2,-0.4 -0.898 10.4-176.6-111.6 134.1 15.7 15.9 44.4 148 156 A I E -AD 48 131A 1 -17,-2.7 -17,-2.5 -2,-0.4 2,-0.2 -0.991 17.5-142.7-129.7 125.7 15.6 13.9 41.2 149 157 A A E + D 0 130A 3 -102,-2.5 -102,-0.5 -2,-0.4 -19,-0.3 -0.573 53.8 60.1 -89.2 146.1 18.2 11.2 40.5 150 158 A G S S- 0 0 26 -21,-3.2 4,-0.4 -2,-0.2 -2,-0.1 -0.410 73.9-105.1 124.2 161.3 19.6 10.5 37.1 151 159 A R S > S+ 0 0 137 -2,-0.1 4,-0.6 2,-0.1 -21,-0.1 0.720 103.8 68.8 -89.2 -27.8 21.4 12.1 34.2 152 160 A E H >> S+ 0 0 98 -108,-0.4 3,-0.9 1,-0.2 4,-0.5 0.852 90.2 57.2 -67.7 -39.8 18.5 12.5 31.8 153 161 A P H >4 S+ 0 0 1 0, 0.0 3,-1.7 0, 0.0 7,-0.4 0.940 104.4 53.6 -57.3 -44.9 16.4 15.2 33.7 154 162 A G H 34 S+ 0 0 29 -4,-0.4 -2,-0.2 1,-0.3 -3,-0.1 0.680 103.1 58.4 -62.2 -20.7 19.3 17.7 33.7 155 163 A R H << S+ 0 0 152 -3,-0.9 2,-0.9 -4,-0.6 -1,-0.3 0.545 89.2 79.0 -86.5 -10.8 19.7 17.3 29.9 156 164 A N S+ 0 0 81 -2,-0.9 4,-2.2 1,-0.2 -1,-0.2 0.858 83.9 52.2 -56.5 -39.8 16.3 22.2 29.6 158 166 A A H > S+ 0 0 22 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.938 111.3 45.9 -62.5 -49.3 12.5 22.6 29.4 159 167 A L H > S+ 0 0 9 1,-0.2 4,-3.2 2,-0.2 5,-0.3 0.914 111.1 52.7 -61.2 -46.3 11.8 20.0 32.2 160 168 A V H X S+ 0 0 22 -4,-2.6 4,-2.5 -7,-0.4 -1,-0.2 0.936 112.1 45.5 -53.3 -48.1 14.5 21.6 34.4 161 169 A A H X S+ 0 0 29 -4,-2.2 4,-2.2 -5,-0.2 -2,-0.2 0.900 113.7 49.6 -67.3 -38.9 12.9 25.0 34.0 162 170 A M H X S+ 0 0 9 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.941 113.5 44.5 -63.9 -50.6 9.4 23.6 34.6 163 171 A L H X S+ 0 0 1 -4,-3.2 4,-1.8 2,-0.2 -2,-0.2 0.889 111.4 54.9 -61.3 -39.3 10.4 21.7 37.8 164 172 A N H < S+ 0 0 29 -4,-2.5 -1,-0.2 -5,-0.3 -2,-0.2 0.928 110.7 45.0 -58.5 -45.7 12.4 24.7 39.0 165 173 A C H < S+ 0 0 8 -4,-2.2 4,-0.4 1,-0.2 -1,-0.2 0.827 111.5 53.2 -69.5 -31.6 9.2 26.9 38.7 166 174 A L H >X S+ 0 0 0 -4,-2.1 4,-1.9 1,-0.2 3,-1.3 0.821 91.6 79.1 -67.7 -31.6 7.1 24.2 40.3 167 175 A T H 3X S+ 0 0 0 -4,-1.8 4,-2.7 1,-0.3 -1,-0.2 0.840 86.1 53.2 -55.3 -45.7 9.4 24.0 43.3 168 176 A P H 3> S+ 0 0 33 0, 0.0 4,-2.0 0, 0.0 -1,-0.3 0.842 111.8 48.8 -58.7 -29.8 8.2 27.1 45.3 169 177 A H H <> S+ 0 0 73 -3,-1.3 4,-2.1 -4,-0.4 -2,-0.2 0.844 108.9 51.0 -77.5 -36.2 4.6 25.8 45.0 170 178 A L H X S+ 0 0 0 -4,-1.9 4,-2.9 2,-0.2 -1,-0.2 0.884 108.8 54.6 -61.6 -38.9 5.7 22.4 46.2 171 179 A H H X S+ 0 0 4 -4,-2.7 4,-2.3 2,-0.2 -2,-0.2 0.949 107.9 46.8 -59.7 -50.1 7.4 24.2 49.1 172 180 A Q H X S+ 0 0 99 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.907 113.4 50.2 -61.8 -38.6 4.1 26.0 50.0 173 181 A A H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.930 108.5 51.6 -63.8 -42.8 2.3 22.7 49.8 174 182 A A H X S+ 0 0 8 -4,-2.9 4,-2.5 1,-0.2 -2,-0.2 0.883 108.7 51.4 -62.3 -39.1 4.9 21.0 52.0 175 183 A I H < S+ 0 0 35 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.947 110.7 48.3 -62.3 -47.2 4.5 23.7 54.7 176 184 A R H < S+ 0 0 95 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.913 113.0 48.2 -58.0 -44.3 0.7 23.2 54.6 177 185 A V H < 0 0 35 -4,-2.5 -148,-0.2 1,-0.2 -1,-0.2 0.887 360.0 360.0 -62.3 -43.0 1.1 19.4 54.9 178 186 A A < 0 0 55 -4,-2.5 -1,-0.2 -5,-0.2 -2,-0.2 0.723 360.0 360.0 -68.9 360.0 3.6 19.7 57.8