==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SIGNALING PROTEIN 18-FEB-13 4JA2 . COMPND 2 MOLECULE: RESPONSE REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: THERMOTOGA MARITIMA; . AUTHOR A.I.PODGORNAIA,P.CASINO,A.MARINA,M.T.LAUB . 121 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6342.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 89 73.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 16.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 . 9 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 43 35.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 2 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 PARALLEL BRIDGES PER LADDER . 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 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 2 A S 0 0 96 0, 0.0 25,-0.1 0, 0.0 24,-0.1 0.000 360.0 360.0 360.0 154.5 8.9 0.8 8.0 2 3 A K - 0 0 91 1,-0.1 25,-2.6 44,-0.1 2,-0.5 -0.392 360.0-136.2 -67.8 146.4 10.7 1.4 11.3 3 4 A K E -a 27 0A 76 23,-0.2 44,-2.4 42,-0.1 45,-1.3 -0.932 15.6-164.8-112.1 129.7 9.2 4.1 13.6 4 5 A V E -ab 28 48A 0 23,-2.9 25,-3.0 -2,-0.5 2,-0.6 -0.942 9.9-150.6-115.9 127.6 11.3 6.7 15.4 5 6 A L E -ab 29 49A 0 43,-2.5 45,-2.9 -2,-0.5 2,-0.6 -0.889 14.1-161.0 -94.4 122.1 10.1 8.9 18.3 6 7 A L E -ab 30 50A 4 23,-3.2 25,-2.3 -2,-0.6 2,-0.6 -0.920 7.1-173.0-108.8 118.6 12.0 12.2 18.3 7 8 A V E +ab 31 51A 4 43,-3.1 45,-2.1 -2,-0.6 2,-0.3 -0.944 27.5 124.5-119.3 111.5 11.8 14.1 21.6 8 9 A D - 0 0 8 23,-2.2 6,-0.1 -2,-0.6 23,-0.1 -0.916 54.6-135.4-164.2 139.4 13.3 17.7 21.7 9 10 A D S S+ 0 0 59 45,-0.4 2,-0.8 -2,-0.3 23,-0.1 0.526 89.1 81.9 -80.2 -3.9 11.9 21.1 22.7 10 11 A S > - 0 0 37 1,-0.2 4,-2.1 2,-0.0 3,-0.3 -0.873 61.7-166.7 -99.1 103.1 13.4 22.7 19.7 11 12 A A H > S+ 0 0 39 -2,-0.8 4,-2.8 1,-0.2 5,-0.2 0.883 89.0 58.6 -55.5 -38.9 11.2 22.2 16.7 12 13 A P H > S+ 0 0 100 0, 0.0 4,-1.9 0, 0.0 -1,-0.2 0.911 107.6 46.8 -59.6 -39.7 14.0 23.3 14.3 13 14 A I H > S+ 0 0 40 -3,-0.3 4,-2.5 2,-0.2 5,-0.2 0.925 111.9 50.4 -61.3 -46.2 16.2 20.5 15.7 14 15 A R H X S+ 0 0 27 -4,-2.1 4,-2.9 1,-0.2 -1,-0.2 0.912 109.7 51.2 -59.7 -42.8 13.4 18.0 15.3 15 16 A K H X S+ 0 0 109 -4,-2.8 4,-2.1 2,-0.2 -1,-0.2 0.905 110.0 49.0 -61.7 -42.6 12.8 19.0 11.7 16 17 A M H X S+ 0 0 83 -4,-1.9 4,-1.4 -5,-0.2 -2,-0.2 0.943 115.5 43.0 -60.6 -50.4 16.5 18.7 10.8 17 18 A V H X S+ 0 0 3 -4,-2.5 4,-2.2 1,-0.2 -2,-0.2 0.891 111.0 56.1 -65.3 -40.0 16.7 15.2 12.4 18 19 A S H X S+ 0 0 10 -4,-2.9 4,-3.3 -5,-0.2 5,-0.3 0.907 102.9 55.4 -58.9 -44.2 13.3 14.1 10.9 19 20 A F H X S+ 0 0 145 -4,-2.1 4,-1.7 1,-0.2 -1,-0.2 0.916 108.8 47.3 -55.7 -46.0 14.6 15.0 7.4 20 21 A V H X S+ 0 0 14 -4,-1.4 4,-0.8 2,-0.2 -1,-0.2 0.888 115.1 45.9 -62.2 -43.0 17.6 12.6 7.9 21 22 A L H ><>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 3,-0.8 0.916 111.8 50.6 -67.2 -42.6 15.4 9.8 9.2 22 23 A K H ><5S+ 0 0 127 -4,-3.3 3,-1.2 1,-0.2 -2,-0.2 0.821 101.0 63.5 -67.1 -29.4 12.8 10.2 6.5 23 24 A K H 3<5S+ 0 0 155 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 103.4 48.9 -63.1 -30.4 15.5 10.1 3.8 24 25 A E T <<5S- 0 0 66 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.472 125.4-105.8 -85.9 -4.4 16.2 6.5 5.0 25 26 A G T < 5S+ 0 0 47 -3,-1.2 -3,-0.2 -4,-0.3 2,-0.1 0.560 71.3 143.9 92.4 10.3 12.4 5.7 4.8 26 27 A Y < - 0 0 30 -5,-1.9 2,-0.3 -25,-0.1 -1,-0.3 -0.487 50.4-121.7 -80.2 150.6 11.7 5.7 8.6 27 28 A E E -a 3 0A 87 -25,-2.6 -23,-2.9 -2,-0.1 2,-0.4 -0.723 28.4-148.5 -88.0 144.5 8.4 7.0 10.0 28 29 A V E -a 4 0A 26 -2,-0.3 2,-0.4 -25,-0.2 -23,-0.2 -0.967 15.7-172.9-125.8 128.5 8.9 9.9 12.5 29 30 A I E -a 5 0A 41 -25,-3.0 -23,-3.2 -2,-0.4 2,-0.3 -0.978 19.9-150.2-116.6 132.4 6.7 10.7 15.5 30 31 A E E -a 6 0A 44 -2,-0.4 2,-0.3 -25,-0.2 -23,-0.2 -0.778 16.7-177.2-109.0 153.5 7.6 14.0 17.4 31 32 A A E -a 7 0A 2 -25,-2.3 -23,-2.2 -2,-0.3 3,-0.0 -0.981 17.7-155.2-146.7 135.2 7.3 15.2 21.0 32 33 A E S S+ 0 0 67 -2,-0.3 2,-0.3 -25,-0.2 -25,-0.1 0.662 79.0 6.4 -86.7 -18.3 8.2 18.7 22.3 33 34 A N S > S- 0 0 11 22,-0.1 4,-2.1 -25,-0.1 26,-0.1 -0.927 82.1 -94.4-153.1 178.0 8.8 17.6 25.9 34 35 A G H > S+ 0 0 0 24,-1.8 4,-2.4 22,-0.5 5,-0.2 0.862 119.9 52.2 -67.4 -36.2 9.2 14.5 28.1 35 36 A Q H > S+ 0 0 75 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.939 110.5 47.6 -65.1 -48.9 5.5 14.5 29.3 36 37 A I H > S+ 0 0 49 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.906 110.8 54.7 -56.9 -43.2 4.2 14.7 25.7 37 38 A A H X S+ 0 0 1 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.942 109.2 44.8 -56.1 -50.9 6.6 11.8 24.8 38 39 A L H X S+ 0 0 19 -4,-2.4 4,-0.8 1,-0.2 -1,-0.2 0.870 110.5 56.1 -66.0 -36.4 5.3 9.5 27.5 39 40 A E H >< S+ 0 0 102 -4,-2.3 3,-0.8 1,-0.2 4,-0.4 0.920 109.7 44.9 -57.3 -45.1 1.7 10.4 26.6 40 41 A K H >X S+ 0 0 79 -4,-2.2 3,-1.5 1,-0.2 4,-0.7 0.864 106.5 61.3 -69.3 -34.0 2.3 9.3 23.0 41 42 A L H 3< S+ 0 0 5 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.636 90.9 67.7 -67.1 -16.2 4.1 6.1 24.3 42 43 A S T << S+ 0 0 89 -3,-0.8 -1,-0.3 -4,-0.8 -2,-0.2 0.781 109.1 37.9 -69.1 -23.2 0.9 5.0 26.0 43 44 A E T <4 S+ 0 0 162 -3,-1.5 2,-0.3 -4,-0.4 -2,-0.2 0.505 123.1 18.6-111.2 -12.8 -0.6 4.6 22.5 44 45 A F < - 0 0 48 -4,-0.7 -1,-0.1 2,-0.0 0, 0.0 -0.980 60.0-131.4-155.1 164.4 2.2 3.2 20.3 45 46 A T - 0 0 86 -2,-0.3 -42,-0.1 -3,-0.1 2,-0.1 -0.945 24.4-157.9-122.5 105.6 5.6 1.4 20.5 46 47 A P - 0 0 4 0, 0.0 -42,-0.2 0, 0.0 3,-0.1 -0.370 21.3-130.6 -76.5 165.7 8.4 2.9 18.4 47 48 A D S S+ 0 0 61 -44,-2.4 2,-0.3 1,-0.2 -43,-0.2 0.659 90.8 12.4 -82.7 -21.0 11.5 1.0 17.2 48 49 A L E -b 4 0A 0 -45,-1.3 -43,-2.5 28,-0.1 2,-0.4 -0.989 63.2-149.9-156.8 147.6 13.9 3.8 18.5 49 50 A I E -bc 5 78A 1 28,-2.1 30,-2.9 -2,-0.3 2,-0.5 -0.986 3.4-160.9-122.8 132.3 13.7 6.9 20.6 50 51 A V E -bc 6 79A 5 -45,-2.9 -43,-3.1 -2,-0.4 2,-0.5 -0.984 23.8-167.1-111.7 123.2 15.9 10.0 20.1 51 52 A L E -bc 7 80A 0 28,-2.8 30,-2.0 -2,-0.5 -43,-0.2 -0.956 17.7-154.4-131.5 118.7 15.9 12.0 23.3 52 53 A X - 0 0 13 -45,-2.1 30,-0.2 -2,-0.5 3,-0.1 -0.435 10.7-148.5 -78.4 159.8 17.0 15.5 24.3 53 54 A I S S+ 0 0 6 28,-0.2 7,-2.6 1,-0.2 2,-0.7 0.886 77.9 62.0 -93.9 -57.9 18.0 16.2 27.9 54 55 A M + 0 0 84 5,-0.2 -45,-0.4 6,-0.1 -1,-0.2 -0.614 69.0 136.4 -82.4 109.2 17.1 19.9 28.6 55 56 A M - 0 0 20 -2,-0.7 -22,-0.1 -47,-0.1 -23,-0.0 -0.990 52.1-108.7-150.4 145.8 13.3 20.4 28.1 56 57 A P S S+ 0 0 61 0, 0.0 2,-2.4 0, 0.0 -22,-0.5 -0.302 97.0 15.7 -68.8 161.8 10.5 22.1 30.0 57 58 A V S S+ 0 0 120 -24,-0.1 2,-0.3 -23,-0.1 -24,-0.1 -0.337 137.9 14.3 74.1 -58.4 7.8 20.1 31.9 58 59 A M S S- 0 0 21 -2,-2.4 -24,-1.8 4,-0.0 -23,-0.2 -0.917 77.3-144.5-150.7 122.5 9.9 16.9 32.0 59 60 A D > - 0 0 51 -2,-0.3 4,-2.0 -26,-0.1 -5,-0.2 -0.267 30.9-101.7 -80.6 171.1 13.6 16.6 31.2 60 61 A G H > S+ 0 0 0 -7,-2.6 4,-2.3 1,-0.2 -7,-0.1 0.771 117.8 57.6 -69.7 -31.3 15.3 13.7 29.4 61 62 A F H > S+ 0 0 29 -8,-0.3 4,-2.0 2,-0.2 -1,-0.2 0.934 108.3 47.7 -61.9 -45.3 16.8 12.1 32.6 62 63 A T H > S+ 0 0 43 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.912 109.0 54.8 -63.0 -40.5 13.2 11.8 34.0 63 64 A V H X S+ 0 0 2 -4,-2.0 4,-2.4 1,-0.2 -1,-0.2 0.945 106.3 50.9 -53.6 -49.0 12.1 10.3 30.7 64 65 A L H X S+ 0 0 3 -4,-2.3 4,-1.2 1,-0.2 -2,-0.2 0.896 109.3 51.5 -58.3 -40.7 14.8 7.6 31.0 65 66 A K H < S+ 0 0 104 -4,-2.0 4,-0.4 1,-0.2 3,-0.3 0.908 111.8 46.6 -60.2 -44.2 13.6 6.8 34.5 66 67 A K H >< S+ 0 0 82 -4,-2.4 3,-0.9 1,-0.2 -2,-0.2 0.829 104.7 59.9 -70.3 -32.3 10.0 6.5 33.4 67 68 A L H >< S+ 0 0 4 -4,-2.4 3,-1.0 1,-0.2 6,-0.2 0.833 101.8 55.2 -64.1 -31.7 11.0 4.3 30.4 68 69 A Q T 3< S+ 0 0 98 -4,-1.2 -1,-0.2 -3,-0.3 -2,-0.2 0.672 95.5 69.1 -72.9 -17.4 12.5 1.7 32.8 69 70 A E T < S+ 0 0 133 -3,-0.9 2,-0.4 -4,-0.4 -1,-0.2 0.314 93.4 62.7 -90.4 11.6 9.2 1.5 34.7 70 71 A K S X> S- 0 0 97 -3,-1.0 4,-2.6 1,-0.1 3,-1.5 -0.979 70.0-144.0-139.2 127.7 7.3 -0.2 31.9 71 72 A E H 3> S+ 0 0 112 -2,-0.4 4,-0.6 1,-0.3 -1,-0.1 0.886 104.7 48.1 -49.7 -46.7 7.9 -3.7 30.3 72 73 A E H 34 S+ 0 0 109 1,-0.2 -1,-0.3 2,-0.1 -5,-0.0 0.575 118.9 40.8 -74.2 -10.8 7.0 -2.5 26.8 73 74 A W H X4 S+ 0 0 31 -3,-1.5 3,-1.6 -6,-0.2 -2,-0.2 0.732 97.3 71.4-103.4 -34.3 9.2 0.6 27.1 74 75 A K H 3< S+ 0 0 93 -4,-2.6 -2,-0.1 1,-0.3 -3,-0.1 0.742 97.3 52.4 -64.3 -23.9 12.3 -0.6 28.8 75 76 A R T 3< S+ 0 0 173 -4,-0.6 -1,-0.3 -8,-0.1 -2,-0.1 0.528 80.2 107.4 -91.4 -6.0 13.5 -2.5 25.8 76 77 A I S < S- 0 0 16 -3,-1.6 -28,-0.1 -9,-0.1 2,-0.1 -0.574 76.8-119.3 -73.3 124.9 13.2 0.4 23.2 77 78 A P - 0 0 20 0, 0.0 -28,-2.1 0, 0.0 2,-0.5 -0.467 29.8-156.4 -67.1 137.1 16.7 1.6 22.3 78 79 A V E -c 49 0A 6 19,-0.3 21,-2.3 -30,-0.2 22,-1.2 -0.969 12.2-164.9-117.3 127.3 17.3 5.2 23.2 79 80 A I E -cd 50 100A 0 -30,-2.9 -28,-2.8 -2,-0.5 2,-0.5 -0.961 17.2-146.6-101.6 122.5 19.9 7.6 21.7 80 81 A V E -cd 51 101A 0 20,-3.0 22,-3.5 -2,-0.6 2,-0.5 -0.778 14.5-171.6 -86.0 131.0 20.3 10.7 23.8 81 82 A L E + d 0 102A 4 -30,-2.0 2,-0.3 -2,-0.5 -28,-0.2 -0.961 23.8 153.6-126.7 112.6 21.1 13.7 21.6 82 83 A T E - d 0 103A 2 20,-2.5 22,-2.2 -2,-0.5 -30,-0.1 -0.972 58.2-136.6-149.6 148.5 22.0 16.7 23.7 83 84 A A S S+ 0 0 56 -2,-0.3 2,-0.8 20,-0.2 20,-0.1 0.564 80.6 105.4 -77.2 -13.8 23.9 20.0 24.0 84 85 A K + 0 0 70 1,-0.2 -2,-0.1 5,-0.0 20,-0.0 -0.630 47.5 177.7 -69.5 107.7 25.0 18.8 27.5 85 86 A G + 0 0 56 -2,-0.8 -1,-0.2 18,-0.1 18,-0.1 0.459 32.5 121.5 -94.8 -3.0 28.7 17.9 26.8 86 87 A G > - 0 0 18 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.285 65.6-133.5 -69.9 142.7 29.8 16.8 30.2 87 88 A E H > S+ 0 0 163 1,-0.2 4,-2.2 2,-0.2 -1,-0.1 0.837 110.8 55.9 -57.0 -31.3 31.2 13.4 31.0 88 89 A E H > S+ 0 0 135 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.870 104.0 51.1 -71.7 -37.6 28.9 13.5 34.1 89 90 A D H > S+ 0 0 29 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.908 111.9 47.8 -64.6 -42.0 25.8 14.0 31.9 90 91 A E H X S+ 0 0 55 -4,-1.9 4,-2.5 1,-0.2 5,-0.2 0.914 109.6 54.1 -63.6 -43.4 26.8 11.1 29.7 91 92 A S H X S+ 0 0 74 -4,-2.2 4,-2.4 1,-0.2 -2,-0.2 0.920 109.9 45.9 -58.0 -47.0 27.4 9.0 32.8 92 93 A L H X S+ 0 0 70 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.931 111.6 51.0 -65.4 -45.1 23.9 9.6 34.2 93 94 A A H <>S+ 0 0 1 -4,-2.2 5,-2.3 1,-0.2 4,-0.3 0.940 113.7 44.8 -58.5 -46.2 22.1 9.0 30.8 94 95 A L H ><5S+ 0 0 73 -4,-2.5 3,-1.3 1,-0.2 -1,-0.2 0.899 110.9 53.8 -63.3 -41.5 23.9 5.7 30.4 95 96 A S H 3<5S+ 0 0 86 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.804 107.0 52.9 -62.1 -30.7 23.3 4.7 34.0 96 97 A L T 3<5S- 0 0 33 -4,-1.9 -1,-0.3 -3,-0.2 -2,-0.2 0.435 131.9 -90.0 -87.7 -1.4 19.6 5.3 33.5 97 98 A G T < 5S+ 0 0 34 -3,-1.3 -19,-0.3 -4,-0.3 -3,-0.2 0.413 71.5 149.3 116.2 -0.4 19.5 3.0 30.4 98 99 A A < - 0 0 8 -5,-2.3 -1,-0.3 -6,-0.2 -19,-0.2 -0.347 39.0-146.3 -62.2 144.8 20.4 5.1 27.3 99 100 A R S S+ 0 0 110 -21,-2.3 2,-0.3 1,-0.3 -20,-0.2 0.866 76.9 3.1 -78.6 -38.7 22.2 3.1 24.6 100 101 A K E -d 79 0A 71 -22,-1.2 -20,-3.0 -7,-0.0 2,-0.5 -0.990 59.3-144.4-148.1 144.5 24.3 6.0 23.3 101 102 A V E -d 80 0A 3 -2,-0.3 2,-0.4 -22,-0.2 -20,-0.2 -0.980 21.6-174.7-112.1 119.8 24.9 9.6 24.2 102 103 A M E -d 81 0A 4 -22,-3.5 -20,-2.5 -2,-0.5 2,-0.3 -0.921 15.0-137.8-114.1 137.5 25.5 11.9 21.2 103 104 A R E -d 82 0A 84 -2,-0.4 -20,-0.2 -22,-0.2 -18,-0.1 -0.747 24.6-100.0 -97.1 139.9 26.4 15.5 21.5 104 105 A K S S+ 0 0 37 -22,-2.2 2,-0.2 -2,-0.3 -22,-0.0 -0.675 89.5 91.6 -73.0 146.9 25.1 18.5 19.5 105 106 A P S S- 0 0 126 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 0.249 88.6-131.6 -65.9 136.3 26.3 19.9 17.2 106 107 A F - 0 0 31 -2,-0.2 -2,-0.1 -4,-0.1 -25,-0.0 -0.405 22.2-165.7 -70.3 132.8 24.4 17.3 15.2 107 108 A S > - 0 0 42 -2,-0.2 4,-2.8 1,-0.1 5,-0.2 -0.969 9.4-158.3-117.0 115.8 26.0 15.4 12.4 108 109 A P H > S+ 0 0 61 0, 0.0 4,-2.7 0, 0.0 5,-0.2 0.860 94.6 50.8 -58.3 -35.6 23.5 13.5 10.1 109 110 A S H > S+ 0 0 95 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.928 113.5 42.6 -67.4 -45.4 26.2 11.1 8.9 110 111 A Q H > S+ 0 0 96 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.921 117.0 50.2 -64.5 -43.7 27.3 10.2 12.5 111 112 A F H X S+ 0 0 0 -4,-2.8 4,-2.5 1,-0.2 3,-0.2 0.940 108.6 48.2 -61.2 -52.6 23.7 10.0 13.5 112 113 A I H X S+ 0 0 27 -4,-2.7 4,-2.8 1,-0.2 5,-0.3 0.857 107.1 56.7 -65.4 -32.8 22.4 7.8 10.8 113 114 A E H X S+ 0 0 116 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.924 111.9 43.3 -59.3 -44.4 25.2 5.2 11.2 114 115 A E H X S+ 0 0 19 -4,-1.5 4,-2.6 -3,-0.2 -2,-0.2 0.889 112.9 52.1 -68.4 -41.6 24.2 4.9 14.9 115 116 A V H X S+ 0 0 0 -4,-2.5 4,-2.5 2,-0.2 5,-0.2 0.956 112.4 45.0 -60.7 -50.4 20.5 4.7 14.1 116 117 A K H X S+ 0 0 74 -4,-2.8 4,-1.6 1,-0.2 -2,-0.2 0.913 112.0 53.5 -58.9 -43.3 21.1 1.9 11.5 117 118 A H H < S+ 0 0 105 -4,-2.2 -2,-0.2 -5,-0.3 -1,-0.2 0.935 113.0 42.0 -56.9 -48.3 23.3 0.1 13.9 118 119 A L H >< S+ 0 0 7 -4,-2.6 3,-1.0 1,-0.2 -1,-0.2 0.851 112.7 52.3 -70.8 -36.1 20.8 0.1 16.7 119 120 A L H 3< S+ 0 0 19 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.772 111.3 49.4 -69.8 -24.2 17.8 -0.7 14.5 120 121 A N T 3< 0 0 124 -4,-1.6 -1,-0.2 -5,-0.2 -2,-0.2 0.180 360.0 360.0-100.4 12.4 19.8 -3.7 13.1 121 122 A E < 0 0 159 -3,-1.0 -3,-0.1 -5,-0.1 -4,-0.0 -0.430 360.0 360.0 -59.2 360.0 20.8 -5.1 16.5