==== 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 ELECTRON TRANSPORT 31-MAR-10 3ME8 . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR V.N.MALASHKEVICH,R.TORO,J.M.SAUDER,S.K.BURLEY,S.C.ALMO,NEW Y . 325 3 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15448.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 220 67.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 30 9.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 46 14.2 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 19 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 73 22.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.8 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 0 0 0 0 0 0 2 4 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 2 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 PARALLEL BRIDGES PER LADDER . 2 0 7 0 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 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 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 56 0, 0.0 3,-2.0 0, 0.0 137,-0.3 0.000 360.0 360.0 360.0 126.6 -1.2 12.9 0.1 2 3 A L T 3 + 0 0 103 1,-0.3 137,-0.2 135,-0.1 3,-0.1 -0.238 360.0 18.1 -52.8 131.7 -3.3 15.8 -1.3 3 4 A G T 3 S+ 0 0 35 135,-2.9 -1,-0.3 1,-0.4 2,-0.1 0.205 99.9 111.0 92.4 -15.9 -5.6 14.6 -4.1 4 5 A T < - 0 0 60 -3,-2.0 134,-3.5 107,-0.1 2,-0.4 -0.452 66.4-114.3 -88.7 167.8 -5.5 10.9 -3.1 5 6 A Y B -A 137 0A 129 132,-0.2 132,-0.2 -2,-0.1 131,-0.1 -0.827 11.1-130.2-108.3 137.6 -8.4 8.9 -1.7 6 7 A V - 0 0 3 130,-2.5 102,-0.1 -2,-0.4 4,-0.0 -0.737 46.3 -99.1 -78.8 129.1 -8.8 7.4 1.7 7 8 A P > - 0 0 42 0, 0.0 3,-1.0 0, 0.0 15,-0.2 -0.205 26.6-148.4 -52.4 129.2 -9.9 3.7 1.2 8 9 A G T 3 S+ 0 0 19 1,-0.2 15,-2.5 14,-0.1 16,-0.3 0.659 89.3 67.2 -75.8 -17.8 -13.7 3.5 1.7 9 10 A D T 3 + 0 0 83 13,-0.2 -1,-0.2 12,-0.2 2,-0.2 0.373 67.2 125.5 -91.2 9.3 -13.6 -0.1 3.1 10 11 A I < - 0 0 0 -3,-1.0 12,-2.4 94,-0.1 2,-0.5 -0.492 57.2-138.1 -61.3 127.7 -11.8 0.9 6.3 11 12 A T E -B 21 0B 27 -2,-0.2 89,-2.4 10,-0.2 90,-0.3 -0.847 24.0-176.7 -97.2 124.9 -13.9 -0.3 9.2 12 13 A L E -BC 20 99B 3 8,-3.1 8,-2.4 -2,-0.5 2,-0.4 -0.828 15.7-149.2-115.9 154.6 -14.2 2.0 12.2 13 14 A V E -BC 19 98B 17 85,-2.8 85,-2.4 -2,-0.3 6,-0.2 -0.993 17.0-142.9-127.2 122.0 -16.0 1.5 15.5 14 15 A D E > - C 0 97B 6 4,-2.7 3,-2.4 -2,-0.4 83,-0.2 -0.241 34.1 -94.3 -80.2 172.4 -17.5 4.5 17.3 15 16 A S T 3 S+ 0 0 3 81,-1.4 82,-0.1 1,-0.3 66,-0.1 0.540 125.6 55.7 -70.1 -5.7 -17.6 5.1 21.0 16 17 A Y T 3 S- 0 0 115 75,-0.2 -1,-0.3 2,-0.1 3,-0.1 0.365 121.8-104.4 -98.0 -0.8 -21.1 3.5 21.2 17 18 A G S < S+ 0 0 35 -3,-2.4 2,-0.4 1,-0.3 -2,-0.1 0.504 71.8 146.5 89.7 3.9 -19.8 0.3 19.6 18 19 A N - 0 0 92 -5,-0.0 -4,-2.7 1,-0.0 2,-0.4 -0.644 36.8-148.8 -73.9 125.4 -21.4 1.0 16.2 19 20 A E E +B 13 0B 108 -2,-0.4 2,-0.3 -6,-0.2 -6,-0.2 -0.753 26.4 156.8 -93.8 142.2 -19.3 -0.4 13.3 20 21 A F E -B 12 0B 25 -8,-2.4 -8,-3.1 -2,-0.4 2,-0.3 -0.983 38.3-115.0-154.5 162.0 -19.2 1.3 10.0 21 22 A Q E > -B 11 0B 61 -2,-0.3 3,-2.1 -10,-0.2 4,-0.3 -0.762 30.9-118.6 -97.6 150.6 -17.1 1.6 6.9 22 23 A L G > S+ 0 0 1 -12,-2.4 3,-2.2 -2,-0.3 -13,-0.2 0.874 113.0 64.4 -56.7 -35.6 -15.6 5.0 6.0 23 24 A K G > S+ 0 0 97 -15,-2.5 3,-1.6 1,-0.3 -1,-0.3 0.748 86.9 72.7 -60.8 -20.4 -17.6 4.9 2.7 24 25 A N G < S+ 0 0 99 -3,-2.1 -1,-0.3 -16,-0.3 -2,-0.2 0.722 92.5 56.4 -66.4 -18.8 -20.8 5.0 4.8 25 26 A L G X S+ 0 0 9 -3,-2.2 3,-0.9 -4,-0.3 -1,-0.3 0.335 79.3 126.2 -93.6 3.8 -20.0 8.7 5.6 26 27 A K T < + 0 0 97 -3,-1.6 109,-0.2 1,-0.2 -3,-0.0 -0.300 47.6 60.1 -60.9 151.9 -19.8 9.8 1.9 27 28 A G T 3 S+ 0 0 57 107,-1.8 -1,-0.2 1,-0.2 108,-0.1 0.123 99.2 55.3 115.5 -17.6 -22.0 12.7 0.9 28 29 A K S < S- 0 0 58 -3,-0.9 -1,-0.2 106,-0.3 36,-0.2 -0.971 93.5 -92.3-137.1 153.0 -20.5 15.4 3.2 29 30 A P - 0 0 6 0, 0.0 36,-2.4 0, 0.0 2,-0.4 -0.282 42.4-142.8 -59.0 155.0 -17.0 16.7 3.8 30 31 A I E -dE 65 132B 0 102,-1.8 102,-3.1 34,-0.2 2,-0.6 -0.988 8.9-155.5-128.7 128.9 -15.2 14.9 6.6 31 32 A I E -dE 66 131B 0 34,-2.8 36,-3.1 -2,-0.4 2,-0.4 -0.941 17.8-162.1-104.7 119.0 -12.9 16.5 9.1 32 33 A L E -dE 67 130B 2 98,-3.4 98,-2.7 -2,-0.6 36,-0.2 -0.881 9.6-173.6-109.9 129.6 -10.4 13.8 10.4 33 34 A S E -d 68 0B 0 34,-2.9 36,-2.3 -2,-0.4 2,-0.4 -0.885 10.1-156.0-126.0 96.8 -8.5 14.3 13.7 34 35 A P E +d 69 0B 0 0, 0.0 94,-0.4 0, 0.0 2,-0.2 -0.642 34.0 139.3 -74.4 129.7 -5.9 11.6 14.6 35 36 A I E -d 70 0B 0 34,-2.6 36,-2.3 -2,-0.4 2,-0.3 -0.804 46.3-122.9-144.1 178.9 -5.2 11.5 18.3 36 37 A Y > - 0 0 5 34,-0.2 3,-1.2 -2,-0.2 7,-0.1 -0.988 21.1-131.5-130.1 146.6 -4.5 9.0 21.1 37 38 A T T 3 S+ 0 0 16 -2,-0.3 -1,-0.1 1,-0.2 33,-0.0 0.772 102.5 52.4 -71.0 -24.9 -6.8 9.0 24.1 38 39 A H T 3 S+ 0 0 118 -3,-0.0 2,-0.3 2,-0.0 -1,-0.2 0.444 80.0 117.2 -90.8 2.3 -3.9 8.8 26.8 39 40 A C < + 0 0 3 -3,-1.2 -3,-0.0 1,-0.1 83,-0.0 -0.527 35.8 177.4 -68.7 126.6 -2.1 11.9 25.3 40 41 A R + 0 0 154 -2,-0.3 -1,-0.1 3,-0.1 -3,-0.0 0.254 69.5 51.4-111.3 9.9 -2.0 14.7 27.8 41 42 A A S > S+ 0 0 47 3,-0.0 4,-0.8 4,-0.0 -2,-0.0 0.630 118.4 2.4-110.5 -98.9 0.1 17.0 25.6 42 43 A A H > S+ 0 0 6 1,-0.2 4,-2.3 2,-0.2 3,-0.3 0.879 119.7 63.1 -62.9 -41.8 -0.8 17.8 22.0 43 44 A C H > S+ 0 0 1 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.848 101.0 49.2 -63.4 -39.6 -4.1 15.9 21.6 44 45 A P H > S+ 0 0 5 0, 0.0 4,-2.7 0, 0.0 -1,-0.3 0.884 112.6 51.3 -61.1 -35.3 -6.1 17.8 24.2 45 46 A L H X S+ 0 0 89 -4,-0.8 4,-2.4 -3,-0.3 -2,-0.2 0.937 111.7 46.1 -65.3 -47.3 -4.8 21.0 22.5 46 47 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -1,-0.2 0.939 115.9 45.3 -56.8 -50.3 -5.9 19.8 19.1 47 48 A T H X S+ 0 0 0 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.910 113.2 48.7 -68.9 -39.6 -9.2 18.7 20.4 48 49 A K H X S+ 0 0 105 -4,-2.7 4,-1.1 2,-0.2 -1,-0.2 0.881 111.1 51.8 -66.5 -35.6 -9.9 21.9 22.4 49 50 A S H >X S+ 0 0 15 -4,-2.4 4,-1.6 1,-0.2 3,-0.5 0.930 109.9 49.1 -67.1 -43.1 -8.9 24.0 19.4 50 51 A L H 3X S+ 0 0 0 -4,-2.6 4,-2.9 1,-0.2 -2,-0.2 0.897 105.0 57.8 -57.3 -43.2 -11.4 22.0 17.2 51 52 A L H 3< S+ 0 0 56 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.808 110.5 45.6 -59.7 -26.6 -14.1 22.5 19.8 52 53 A K H << S+ 0 0 168 -4,-1.1 -1,-0.2 -3,-0.5 -2,-0.2 0.776 120.1 36.1 -89.0 -26.8 -13.6 26.3 19.4 53 54 A V H >X S+ 0 0 5 -4,-1.6 3,-1.4 -3,-0.1 4,-0.6 0.838 103.2 68.3 -94.5 -36.8 -13.5 26.4 15.6 54 55 A I H >X S+ 0 0 3 -4,-2.9 3,-2.1 1,-0.3 4,-1.3 0.903 94.0 56.9 -53.8 -48.2 -16.1 23.7 14.6 55 56 A P H 34 S+ 0 0 94 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.726 102.7 57.3 -59.5 -19.2 -19.1 25.7 15.8 56 57 A K H <4 S+ 0 0 133 -3,-1.4 -2,-0.2 -4,-0.2 3,-0.1 0.690 108.4 47.3 -73.9 -22.0 -18.2 28.6 13.6 57 58 A L H << S- 0 0 28 -3,-2.1 2,-0.3 -4,-0.6 -1,-0.1 0.761 117.7 -75.1 -97.1 -30.8 -18.3 26.4 10.5 58 59 A G < - 0 0 18 -4,-1.3 -1,-0.3 6,-0.0 0, 0.0 -0.980 58.6 -49.9 158.5-166.7 -21.5 24.4 10.7 59 60 A T >>> - 0 0 64 -2,-0.3 4,-2.2 -3,-0.1 3,-2.1 -0.914 49.4-124.6-109.6 116.3 -23.3 21.6 12.4 60 61 A P B 345S+h 64 0C 26 0, 0.0 34,-0.3 0, 0.0 33,-0.3 -0.372 99.6 27.8 -57.1 136.8 -21.5 18.2 12.6 61 62 A G T 345S+ 0 0 17 3,-2.8 4,-0.2 32,-0.6 33,-0.1 0.239 127.8 47.4 92.0 -11.2 -23.8 15.5 11.1 62 63 A K T <45S+ 0 0 141 -3,-2.1 3,-0.1 2,-0.6 -1,-0.1 0.644 122.2 20.6-119.2 -62.1 -25.4 18.0 8.8 63 64 A D T <5S- 0 0 73 -4,-2.2 2,-0.3 1,-0.3 -5,-0.0 0.779 135.6 -19.1 -83.7 -26.9 -22.8 20.2 7.1 64 65 A F B < -h 60 0C 0 -5,-0.8 -3,-2.8 -36,-0.2 -2,-0.6 -0.950 66.6-107.7-166.8 164.8 -19.9 17.8 7.5 65 66 A W E -d 30 0B 47 -36,-2.4 -34,-2.8 -2,-0.3 2,-0.5 -0.847 23.1-152.7 -98.9 143.6 -18.8 14.9 9.7 66 67 A V E -df 31 94B 0 27,-2.3 29,-2.9 -2,-0.4 2,-0.5 -0.984 12.9-172.2-113.4 132.3 -16.2 15.3 12.3 67 68 A I E -df 32 95B 0 -36,-3.1 -34,-2.9 -2,-0.5 2,-0.6 -0.916 10.0-170.8-129.8 103.5 -14.2 12.1 13.1 68 69 A T E -df 33 96B 0 27,-2.8 29,-2.7 -2,-0.5 2,-0.4 -0.819 20.9-174.3 -84.5 125.9 -11.8 12.0 16.0 69 70 A F E -df 34 97B 2 -36,-2.3 -34,-2.6 -2,-0.6 2,-0.4 -0.980 21.3-132.6-129.6 140.3 -9.9 8.8 15.7 70 71 A T E -df 35 98B 5 27,-2.1 29,-0.5 -2,-0.4 -34,-0.2 -0.736 10.3-169.4 -88.3 133.1 -7.3 7.1 17.9 71 72 A F + 0 0 0 -36,-2.3 -35,-0.2 -2,-0.4 -1,-0.1 0.315 60.7 102.6 -97.7 5.4 -4.2 5.7 16.3 72 73 A D > - 0 0 21 -37,-0.3 3,-2.2 1,-0.1 -35,-0.1 -0.800 63.0-154.7 -89.8 111.8 -3.1 3.9 19.5 73 74 A P T 3 S+ 0 0 79 0, 0.0 -1,-0.1 0, 0.0 29,-0.1 0.545 89.8 62.9 -75.2 4.1 -4.0 0.3 18.7 74 75 A K T 3 S+ 0 0 156 2,-0.1 2,-0.2 0, 0.0 -2,-0.0 0.524 76.5 109.0 -94.8 -10.0 -4.4 -0.5 22.4 75 76 A D < - 0 0 2 -3,-2.2 2,-0.2 4,-0.1 -5,-0.0 -0.504 53.9-165.6 -68.8 131.7 -7.3 2.0 22.8 76 77 A T > - 0 0 63 -2,-0.2 4,-2.1 22,-0.0 3,-0.3 -0.524 39.4 -88.5-109.4 177.4 -10.5 0.1 23.4 77 78 A L H > S+ 0 0 73 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.870 127.9 56.6 -53.9 -40.8 -14.2 1.1 23.2 78 79 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.905 106.7 50.1 -59.7 -41.0 -14.0 2.1 26.9 79 80 A D H > S+ 0 0 19 -3,-0.3 4,-2.1 2,-0.2 -2,-0.2 0.930 112.3 44.8 -63.8 -48.4 -11.1 4.5 26.1 80 81 A I H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 -2,-0.2 0.858 111.7 52.9 -69.1 -32.3 -12.8 6.2 23.2 81 82 A K H X S+ 0 0 53 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.919 109.6 50.2 -64.2 -42.1 -16.1 6.5 25.2 82 83 A R H X S+ 0 0 129 -4,-2.1 4,-2.2 -5,-0.2 -2,-0.2 0.915 110.5 49.1 -60.2 -43.0 -14.1 8.2 28.0 83 84 A F H X S+ 0 0 5 -4,-2.1 4,-1.7 2,-0.2 6,-0.3 0.950 109.7 52.4 -62.6 -48.4 -12.5 10.6 25.5 84 85 A Q H X>S+ 0 0 8 -4,-2.5 5,-1.8 1,-0.2 4,-0.6 0.921 112.4 44.0 -52.3 -50.1 -15.9 11.5 24.0 85 86 A K H ><5S+ 0 0 148 -4,-2.3 3,-0.9 1,-0.2 -1,-0.2 0.893 107.6 60.6 -64.4 -38.0 -17.4 12.3 27.4 86 87 A E H 3<5S+ 0 0 92 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.874 113.5 34.3 -58.4 -41.3 -14.3 14.2 28.5 87 88 A Y H 3<5S- 0 0 25 -4,-1.7 -1,-0.3 -3,-0.2 -2,-0.2 0.404 108.3-117.0 -98.0 1.6 -14.7 16.8 25.7 88 89 A G T <<5 + 0 0 67 -3,-0.9 -3,-0.2 -4,-0.6 2,-0.2 0.728 51.8 171.3 69.1 23.0 -18.5 16.8 25.5 89 90 A I < - 0 0 8 -5,-1.8 -1,-0.2 -6,-0.3 7,-0.1 -0.452 36.7-134.3 -69.1 134.3 -18.4 15.5 22.0 90 91 A D - 0 0 62 -2,-0.2 -1,-0.1 1,-0.1 5,-0.1 0.843 23.9-143.3 -63.3 -34.9 -21.9 14.6 20.8 91 92 A G S S+ 0 0 1 3,-1.8 5,-0.3 1,-0.1 -75,-0.2 0.265 82.7 61.3 94.3 -10.7 -20.8 11.2 19.4 92 93 A K S S+ 0 0 150 2,-0.1 3,-0.2 3,-0.1 -31,-0.1 0.782 114.4 21.8-111.6 -60.5 -23.0 11.2 16.3 93 94 A G S S+ 0 0 2 1,-0.3 -27,-2.3 -33,-0.3 -32,-0.6 0.860 139.0 36.4 -76.8 -37.7 -22.2 14.2 14.1 94 95 A W E S- f 0 66B 12 -34,-0.3 -3,-1.8 -29,-0.2 -1,-0.3 -0.976 91.7-167.9-111.7 112.5 -18.8 14.4 15.7 95 96 A K E - f 0 67B 27 -29,-2.9 -27,-2.8 -2,-0.6 2,-0.5 -0.698 21.1-149.6-102.4 152.5 -17.7 10.8 16.3 96 97 A V E + f 0 68B 0 -5,-0.3 -81,-1.4 -2,-0.3 2,-0.3 -0.998 37.1 168.3-116.9 122.8 -14.9 9.4 18.4 97 98 A V E -Cf 14 69B 0 -29,-2.7 -27,-2.1 -2,-0.5 2,-0.3 -0.878 30.0-151.3-135.2 161.4 -13.8 6.1 16.8 98 99 A K E -Cf 13 70B 50 -85,-2.4 -85,-2.8 -2,-0.3 2,-0.2 -0.902 35.5 -99.8-125.1 160.6 -11.1 3.5 16.6 99 100 A A E -C 12 0B 13 -29,-0.5 -87,-0.2 -2,-0.3 3,-0.1 -0.593 25.7-133.8 -76.3 141.3 -10.0 1.2 13.8 100 101 A K S S+ 0 0 98 -89,-2.4 2,-0.3 -2,-0.2 -1,-0.1 0.960 83.2 0.3 -61.5 -51.7 -11.5 -2.3 13.8 101 102 A T S > S- 0 0 67 -90,-0.3 4,-2.1 -3,-0.0 3,-0.2 -0.811 81.3 -96.7-131.0 174.2 -8.1 -4.0 13.2 102 103 A S H > S+ 0 0 96 -2,-0.3 4,-2.9 1,-0.2 5,-0.2 0.794 122.1 59.3 -61.2 -30.0 -4.5 -3.1 12.6 103 104 A E H > S+ 0 0 124 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.914 105.8 47.5 -64.6 -41.8 -5.1 -3.3 8.8 104 105 A D H > S+ 0 0 13 -3,-0.2 4,-2.0 2,-0.2 -2,-0.2 0.921 113.9 48.0 -62.2 -43.6 -7.8 -0.6 9.1 105 106 A L H X S+ 0 0 16 -4,-2.1 4,-2.6 2,-0.2 5,-0.2 0.949 112.9 46.7 -62.2 -53.0 -5.5 1.5 11.2 106 107 A F H X S+ 0 0 128 -4,-2.9 4,-3.1 1,-0.2 5,-0.2 0.891 112.5 50.9 -49.3 -51.8 -2.4 1.1 8.8 107 108 A K H X S+ 0 0 41 -4,-2.2 4,-2.0 -5,-0.2 -1,-0.2 0.910 111.9 45.8 -62.6 -43.4 -4.5 1.9 5.8 108 109 A L H X S+ 0 0 4 -4,-2.0 4,-1.7 -5,-0.2 -2,-0.2 0.954 117.0 43.2 -62.8 -53.2 -6.0 5.0 7.2 109 110 A L H <>S+ 0 0 13 -4,-2.6 5,-2.7 1,-0.2 -2,-0.2 0.891 113.0 53.6 -63.3 -37.8 -2.7 6.4 8.5 110 111 A D H ><5S+ 0 0 96 -4,-3.1 3,-1.3 -5,-0.2 -1,-0.2 0.909 106.7 52.2 -61.7 -41.1 -0.9 5.4 5.2 111 112 A A H 3<5S+ 0 0 12 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.886 113.8 42.0 -65.3 -39.2 -3.5 7.3 3.1 112 113 A I T 3<5S- 0 0 6 -4,-1.7 -1,-0.3 -5,-0.1 -2,-0.2 0.186 111.2-118.6 -93.7 14.2 -3.0 10.5 5.1 113 114 A D T < 5 + 0 0 87 -3,-1.3 2,-0.5 1,-0.2 -3,-0.2 0.826 60.2 154.2 55.7 39.5 0.8 10.1 5.3 114 115 A F < + 0 0 12 -5,-2.7 2,-0.4 -6,-0.1 -1,-0.2 -0.844 17.4 175.7-104.6 129.3 0.7 10.0 9.1 115 116 A R - 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0 0 16 -17,-1.2 2,-0.5 -2,-1.0 -15,-0.1 0.278 66.5-126.4 94.9 138.0 27.1 30.2 18.8 310 146 B V + 0 0 11 -17,-0.1 -90,-0.1 2,-0.1 -91,-0.1 -0.983 44.4 141.9-118.7 117.7 26.3 27.2 21.1 311 147 B N S S- 0 0 114 -2,-0.5 3,-0.1 -92,-0.1 -91,-0.1 -0.474 86.0 -57.0-156.1 73.8 28.4 26.8 24.2 312 148 B Y S S+ 0 0 105 -93,-0.3 2,-1.7 1,-0.2 3,-0.3 0.781 82.7 153.4 57.6 30.8 26.6 25.6 27.2 313 149 B N > + 0 0 30 1,-0.2 4,-1.6 2,-0.1 -1,-0.2 -0.463 4.6 155.6 -90.6 65.4 24.4 28.7 26.8 314 150 B Y H > + 0 0 90 -2,-1.7 4,-2.7 1,-0.2 -1,-0.2 0.890 68.5 52.2 -60.9 -44.0 21.4 27.0 28.6 315 151 B L H > S+ 0 0 141 -3,-0.3 4,-2.8 1,-0.2 -1,-0.2 0.901 106.2 54.3 -64.4 -41.0 19.7 30.3 29.7 316 152 B E H > S+ 0 0 78 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.910 111.6 45.3 -56.8 -40.8 19.8 31.7 26.1 317 153 B F H X S+ 0 0 1 -4,-1.6 4,-2.6 2,-0.2 -2,-0.2 0.907 111.1 52.3 -71.5 -41.4 18.0 28.6 24.8 318 154 B V H X S+ 0 0 69 -4,-2.7 4,-2.3 1,-0.2 -2,-0.2 0.936 112.0 47.0 -56.3 -47.2 15.5 28.7 27.7 319 155 B N H X S+ 0 0 80 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.907 110.7 51.5 -62.8 -41.5 14.8 32.3 26.8 320 156 B A H X S+ 0 0 0 -4,-2.2 4,-2.8 -5,-0.2 -1,-0.2 0.915 110.5 48.8 -62.7 -41.2 14.5 31.5 23.1 321 157 B L H X S+ 0 0 4 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.878 109.5 52.3 -65.9 -36.7 12.0 28.7 23.9 322 158 B R H <>S+ 0 0 142 -4,-2.3 5,-2.7 2,-0.2 4,-0.4 0.935 111.7 46.6 -61.7 -44.9 10.0 31.1 26.1 323 159 B L H ><5S+ 0 0 69 -4,-2.7 3,-1.4 1,-0.2 -2,-0.2 0.925 110.8 52.7 -62.9 -43.4 9.9 33.6 23.2 324 160 B A H 3<5S+ 0 0 2 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.870 110.1 48.3 -59.3 -38.8 8.9 30.8 20.8 325 161 B R T 3<5S- 0 0 96 -4,-2.1 -1,-0.3 -27,-0.1 -2,-0.2 0.424 116.2-111.4 -83.2 -0.1 6.0 29.8 23.1 326 162 B G T < 5 0 0 69 -3,-1.4 -3,-0.2 -4,-0.4 -2,-0.1 0.789 360.0 360.0 73.9 29.3 4.7 33.4 23.5 327 163 B E < 0 0 142 -5,-2.7 -1,-0.2 -6,-0.2 -2,-0.0 -0.555 360.0 360.0-108.0 360.0 5.7 33.6 27.2