==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-MAR-07 2P9J . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN AQ2171; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR H.YANG,L.CHEN,Y.AGARI,A.EBIHARA,A.SHINKAI,S.KURAMITSU,S.YOKO . 1252 20 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45728.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 917 73.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 185 14.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 59 4.7 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 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 5 0.4 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 . 74 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 130 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 379 30.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 2.4 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 8 3 10 5 2 4 3 7 9 4 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 8 1 31 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 . 3 0 6 5 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 . 2 5 0 0 8 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 1 A A > 0 0 94 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -23.1 6.4 49.4 30.0 2 2 A L H > + 0 0 45 2,-0.2 4,-2.6 1,-0.2 5,-0.2 0.883 360.0 51.9 -71.3 -38.0 10.1 48.7 29.5 3 3 A R H > S+ 0 0 70 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.869 111.0 49.3 -60.0 -40.4 9.6 48.7 25.7 4 4 A D H > S+ 0 0 89 2,-0.2 4,-0.9 1,-0.2 -2,-0.2 0.870 111.3 47.8 -66.3 -42.3 8.0 52.1 26.2 5 5 A R H >X S+ 0 0 89 -4,-2.1 4,-0.7 2,-0.2 3,-0.5 0.894 112.0 50.2 -65.0 -43.1 10.8 53.5 28.4 6 6 A V H >< S+ 0 0 0 -4,-2.6 3,-1.1 1,-0.2 -2,-0.2 0.895 104.7 58.5 -62.2 -41.3 13.4 52.2 25.9 7 7 A K H 3< S+ 0 0 110 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.741 104.3 51.3 -62.2 -26.5 11.6 53.9 23.0 8 8 A K H << S+ 0 0 73 -4,-0.9 -1,-0.3 -3,-0.5 -2,-0.2 0.691 85.5 117.6 -79.4 -19.5 11.9 57.3 24.7 9 9 A L << + 0 0 6 -3,-1.1 93,-0.2 -4,-0.7 92,-0.1 -0.215 17.4 146.5 -65.7 134.4 15.6 57.0 25.2 10 10 A K + 0 0 100 91,-2.2 44,-2.7 1,-0.3 2,-0.4 0.425 67.6 39.3-135.5 -20.0 18.0 59.5 23.5 11 11 A L E -ab 54 102A 0 90,-1.3 92,-2.7 42,-0.2 2,-0.5 -0.962 59.3-163.7-144.7 124.1 20.8 59.8 26.1 12 12 A L E -ab 55 103A 0 42,-2.9 44,-2.9 -2,-0.4 2,-0.3 -0.924 7.9-159.5-108.6 122.6 22.5 57.2 28.3 13 13 A I E -ab 56 104A 0 90,-2.3 92,-2.5 -2,-0.5 2,-0.4 -0.770 13.1-162.0 -96.4 144.5 24.6 58.3 31.3 14 14 A X E -ab 57 105A 0 42,-1.9 44,-2.5 -2,-0.3 2,-0.2 -0.957 18.1-147.3-128.8 143.1 27.2 55.9 32.8 15 15 A D - 0 0 12 90,-1.9 44,-0.2 -2,-0.4 3,-0.1 -0.598 18.5-152.6 -89.3 167.9 29.2 55.5 35.9 16 16 A I >>> + 0 0 0 -2,-0.2 4,-2.8 1,-0.2 3,-2.2 0.839 67.4 66.3-108.8 -67.5 32.6 54.0 35.4 17 17 A D T 345S+ 0 0 13 1,-0.3 -1,-0.2 2,-0.2 91,-0.1 -0.479 119.0 11.1 -68.8 117.9 34.0 52.0 38.4 18 18 A G T 345S+ 0 0 1 -2,-0.4 -1,-0.3 3,-0.2 108,-0.2 0.333 131.2 57.2 93.4 -3.2 31.9 48.9 39.0 19 19 A V T <45S+ 0 0 0 -3,-2.2 125,-0.9 124,-0.1 128,-0.4 0.699 123.8 13.3-120.1 -57.9 30.1 49.5 35.6 20 20 A L T <5S+ 0 0 3 -4,-2.8 2,-0.3 123,-0.3 18,-0.3 0.378 137.1 45.0 -96.0 -4.3 32.8 49.5 32.8 21 21 A T S - G 0 31B 27 3,-2.8 3,-2.0 -2,-0.4 166,-0.1 -0.588 59.4 -76.9-115.0-173.9 51.5 53.5 40.7 29 29 A E T 3 S+ 0 0 117 164,-0.3 3,-0.1 1,-0.3 165,-0.1 0.817 133.8 47.4 -54.1 -34.0 53.5 56.1 42.7 30 30 A H T 3 S- 0 0 165 1,-0.3 -1,-0.3 198,-0.0 2,-0.3 0.190 120.2-103.1 -98.7 16.7 51.6 58.9 40.9 31 31 A G E < S+G 28 0B 7 -3,-2.0 -3,-2.8 32,-0.0 2,-1.4 -0.689 78.3 0.9 108.2-154.7 48.1 57.4 41.4 32 32 A E E +G 27 0B 18 -2,-0.3 32,-0.4 -5,-0.2 -5,-0.2 -0.579 69.2 147.0 -76.0 90.2 45.7 55.6 39.2 33 33 A T E + 0 0 46 -2,-1.4 2,-0.4 -7,-0.5 482,-0.4 0.527 57.4 58.4-106.4 -11.2 47.7 55.4 36.0 34 34 A I E +G 26 0B 12 -8,-1.1 -8,-0.7 -3,-0.2 2,-0.4 -0.982 61.7 179.8-122.1 132.1 46.5 52.1 34.7 35 35 A K E -H 513 0C 3 478,-2.8 478,-3.0 -2,-0.4 2,-0.5 -0.998 15.5-146.4-136.4 132.0 42.8 51.4 34.0 36 36 A V E +H 512 0C 9 -2,-0.4 476,-0.2 -12,-0.2 -14,-0.2 -0.842 20.9 175.0-107.3 127.9 41.4 48.1 32.7 37 37 A F E -H 511 0C 5 474,-2.7 474,-2.7 -2,-0.5 2,-0.4 -0.577 28.1-110.6-118.9-178.6 38.4 47.9 30.4 38 38 A N E > -H 510 0C 8 -18,-0.3 4,-1.0 472,-0.3 3,-0.4 -0.969 10.4-142.9-120.4 132.4 36.4 45.3 28.4 39 39 A V H > S+ 0 0 22 470,-2.8 4,-1.5 -2,-0.4 5,-0.1 0.792 101.5 61.9 -59.8 -29.5 36.4 44.9 24.6 40 40 A L H > S+ 0 0 46 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.901 99.9 52.6 -66.1 -43.4 32.7 44.0 24.8 41 41 A D H > S+ 0 0 4 -3,-0.4 4,-2.9 2,-0.2 -1,-0.2 0.806 103.6 58.0 -59.8 -33.9 31.7 47.3 26.3 42 42 A G H X S+ 0 0 7 -4,-1.0 4,-1.9 2,-0.2 -1,-0.2 0.912 108.5 45.7 -63.3 -43.1 33.6 49.1 23.4 43 43 A I H X S+ 0 0 51 -4,-1.5 4,-2.4 2,-0.2 -2,-0.2 0.882 112.8 51.6 -63.1 -42.7 31.3 47.3 21.0 44 44 A G H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -2,-0.2 0.898 106.9 52.5 -61.8 -46.3 28.3 48.2 23.2 45 45 A I H X S+ 0 0 2 -4,-2.9 4,-1.7 2,-0.2 -2,-0.2 0.928 114.0 42.8 -51.3 -51.8 29.3 51.9 23.2 46 46 A K H X S+ 0 0 96 -4,-1.9 4,-2.1 1,-0.2 -2,-0.2 0.894 112.5 53.7 -65.4 -42.0 29.5 52.0 19.4 47 47 A L H < S+ 0 0 40 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.814 108.6 49.1 -62.7 -36.4 26.2 49.9 19.0 48 48 A L H ><>S+ 0 0 0 -4,-2.0 5,-1.9 2,-0.2 3,-1.0 0.883 109.9 50.9 -72.1 -38.2 24.4 52.4 21.2 49 49 A Q H ><5S+ 0 0 62 -4,-1.7 3,-1.6 1,-0.3 -2,-0.2 0.852 104.1 58.0 -66.3 -36.9 25.6 55.4 19.3 50 50 A K T 3<5S+ 0 0 179 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.539 103.2 55.3 -67.4 -10.4 24.5 53.7 16.0 51 51 A X T < 5S- 0 0 48 -3,-1.0 -1,-0.3 -4,-0.2 -2,-0.2 0.317 125.8-104.2-104.3 1.1 21.0 53.6 17.5 52 52 A G T < 5S+ 0 0 55 -3,-1.6 2,-0.7 1,-0.3 -3,-0.2 0.751 71.8 144.8 82.9 26.6 21.2 57.4 18.1 53 53 A I < - 0 0 2 -5,-1.9 -1,-0.3 -42,-0.1 -42,-0.2 -0.888 43.7-140.8 -98.4 114.5 21.8 57.3 21.8 54 54 A T E -a 11 0A 55 -44,-2.7 -42,-2.9 -2,-0.7 2,-0.4 -0.557 21.1-141.6 -63.6 135.2 24.1 60.1 23.1 55 55 A L E -a 12 0A 5 -2,-0.2 22,-0.8 -44,-0.2 21,-0.5 -0.849 20.0-176.1-105.5 140.7 26.4 58.7 25.8 56 56 A A E -ac 13 77A 0 -44,-2.9 -42,-1.9 -2,-0.4 2,-0.5 -0.947 13.2-147.0-132.8 154.8 27.4 60.6 28.9 57 57 A V E +ac 14 78A 0 20,-2.4 22,-2.2 -2,-0.3 2,-0.4 -0.987 14.5 176.2-126.7 123.0 29.8 59.9 31.7 58 58 A I E + c 0 79A 0 -44,-2.5 2,-0.3 -2,-0.5 22,-0.2 -0.880 21.0 162.6-122.6 99.2 29.4 61.0 35.4 59 59 A S E - c 0 80A 0 20,-2.8 23,-1.7 -2,-0.4 22,-0.6 -0.888 41.1-145.6-116.1 145.4 32.2 59.5 37.5 60 60 A G S S+ 0 0 39 -2,-0.3 2,-0.3 22,-0.3 -1,-0.1 0.749 85.4 68.7 -74.5 -24.6 33.4 60.5 40.9 61 61 A R - 0 0 44 19,-0.1 2,-0.4 20,-0.1 21,-0.1 -0.724 68.4-150.6-103.6 148.2 37.0 59.5 39.8 62 62 A D + 0 0 95 -2,-0.3 2,-0.3 18,-0.2 -30,-0.2 -0.895 21.8 163.4-116.4 144.8 39.3 61.1 37.4 63 63 A S > - 0 0 9 -2,-0.4 4,-1.7 1,-0.1 5,-0.1 -0.960 40.8-137.6-161.4 138.3 42.0 59.3 35.3 64 64 A A H > S+ 0 0 49 -32,-0.4 4,-2.5 -2,-0.3 5,-0.2 0.939 109.2 49.8 -59.4 -51.8 44.1 59.9 32.3 65 65 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.783 108.8 55.7 -59.3 -29.0 43.6 56.3 31.0 66 66 A L H > S+ 0 0 1 2,-0.2 4,-3.0 1,-0.2 -2,-0.2 0.919 109.0 43.2 -68.9 -48.2 39.8 56.8 31.4 67 67 A I H X S+ 0 0 44 -4,-1.7 4,-3.4 2,-0.2 5,-0.3 0.903 112.6 54.3 -67.3 -40.7 39.6 59.9 29.3 68 68 A T H X S+ 0 0 42 -4,-2.5 4,-2.3 2,-0.2 -2,-0.2 0.948 114.0 41.8 -52.0 -53.2 41.9 58.3 26.7 69 69 A R H X S+ 0 0 6 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.923 117.1 47.4 -61.7 -47.3 39.5 55.3 26.5 70 70 A L H <>S+ 0 0 1 -4,-3.0 5,-2.7 2,-0.2 4,-0.3 0.905 113.8 46.2 -61.7 -47.3 36.4 57.5 26.6 71 71 A K H ><5S+ 0 0 136 -4,-3.4 3,-1.4 1,-0.2 -1,-0.2 0.902 109.3 56.7 -60.3 -43.0 37.7 59.9 23.9 72 72 A E H 3<5S+ 0 0 99 -4,-2.3 -1,-0.2 -5,-0.3 -2,-0.2 0.823 107.9 47.1 -57.0 -38.1 38.7 56.9 21.7 73 73 A L T 3<5S- 0 0 12 -4,-1.5 -1,-0.3 -3,-0.2 -2,-0.2 0.453 121.1-109.3 -83.9 -4.0 35.2 55.5 21.8 74 74 A G T < 5 + 0 0 50 -3,-1.4 2,-0.6 -4,-0.3 -3,-0.2 0.713 60.4 159.4 81.3 21.9 33.7 59.0 21.0 75 75 A V < + 0 0 2 -5,-2.7 -1,-0.3 1,-0.2 -19,-0.1 -0.704 10.4 174.6 -76.6 118.9 32.2 59.7 24.4 76 76 A E + 0 0 76 -2,-0.6 2,-1.2 -21,-0.5 -1,-0.2 0.931 57.9 69.3 -95.0 -58.9 31.8 63.5 24.5 77 77 A E E +c 56 0A 11 -22,-0.8 -20,-2.4 2,-0.0 2,-0.5 -0.518 66.2 168.6 -65.2 94.9 29.9 64.3 27.7 78 78 A I E +c 57 0A 39 -2,-1.2 2,-0.5 -22,-0.2 -20,-0.2 -0.966 12.2 176.5-116.2 120.9 32.6 63.5 30.2 79 79 A Y E +c 58 0A 61 -22,-2.2 -20,-2.8 -2,-0.5 2,-0.3 -0.926 8.1 168.4-126.1 107.3 32.2 64.5 33.9 80 80 A T E +c 59 0A 41 -2,-0.5 -20,-0.2 -22,-0.2 -18,-0.2 -0.829 57.5 42.8-115.6 153.2 34.9 63.4 36.4 81 81 A G 0 0 59 -22,-0.6 -21,-0.2 -2,-0.3 -1,-0.1 0.425 360.0 360.0 91.9 0.8 35.4 64.6 40.0 82 82 A S 0 0 61 -23,-1.7 -22,-0.3 -3,-0.2 -2,-0.1 0.759 360.0 360.0-111.4 360.0 31.7 64.4 40.7 83 ! 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 84 85 A K > 0 0 38 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -27.8 25.6 64.2 40.7 85 86 A L H > + 0 0 38 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.839 360.0 58.1 -68.8 -35.0 22.1 65.8 40.5 86 87 A E H > S+ 0 0 137 2,-0.2 4,-1.3 1,-0.2 -1,-0.2 0.933 110.5 40.9 -55.6 -52.2 23.8 69.1 39.7 87 88 A I H > S+ 0 0 21 1,-0.2 4,-1.6 2,-0.2 -2,-0.2 0.872 109.2 61.4 -67.9 -39.7 25.6 67.6 36.7 88 89 A Y H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.874 105.4 46.3 -53.0 -42.9 22.5 65.7 35.7 89 90 A E H X S+ 0 0 59 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.857 107.2 57.3 -70.8 -36.0 20.5 69.0 35.2 90 91 A K H X S+ 0 0 141 -4,-1.3 4,-1.8 2,-0.2 -1,-0.2 0.816 111.2 43.5 -61.1 -33.5 23.3 70.6 33.3 91 92 A I H X S+ 0 0 0 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.887 112.4 51.3 -77.9 -44.5 23.1 67.7 30.7 92 93 A K H <>S+ 0 0 52 -4,-2.1 5,-2.2 1,-0.2 -2,-0.2 0.860 114.9 44.9 -56.5 -39.3 19.3 67.7 30.7 93 94 A E H ><5S+ 0 0 150 -4,-2.4 3,-0.9 3,-0.2 -2,-0.2 0.908 110.6 52.4 -74.4 -44.5 19.4 71.5 30.0 94 95 A K H 3<5S+ 0 0 131 -4,-1.8 -2,-0.2 1,-0.2 -1,-0.2 0.860 119.4 34.8 -60.1 -39.5 22.2 71.3 27.3 95 96 A Y T 3<5S- 0 0 74 -4,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.280 105.6-126.1-102.7 9.3 20.3 68.6 25.3 96 97 A S T < 5 + 0 0 105 -3,-0.9 -3,-0.2 1,-0.2 2,-0.2 0.836 58.1 151.6 47.8 45.9 16.8 70.0 26.1 97 98 A L < - 0 0 25 -5,-2.2 2,-0.2 -6,-0.2 -1,-0.2 -0.534 43.2-127.8-104.5 164.0 15.6 66.6 27.3 98 99 A K > - 0 0 133 -2,-0.2 3,-0.9 1,-0.1 4,-0.2 -0.606 33.7-105.9 -98.6 168.7 13.1 65.4 29.8 99 100 A D G > S+ 0 0 49 1,-0.2 20,-1.8 -2,-0.2 3,-1.6 0.902 119.9 57.6 -57.4 -41.7 13.7 62.9 32.6 100 101 A E G 3 S+ 0 0 101 1,-0.3 -1,-0.2 18,-0.2 -92,-0.1 0.633 100.7 57.0 -67.4 -17.0 11.9 60.2 30.7 101 102 A E G < S+ 0 0 37 -3,-0.9 -91,-2.2 -92,-0.1 -90,-1.3 0.426 96.9 78.3 -95.6 -1.4 14.3 60.6 27.7 102 103 A I E < -b 11 0A 0 -3,-1.6 18,-1.5 -4,-0.2 17,-1.1 -0.794 59.8-159.7-111.7 151.1 17.4 59.9 29.7 103 104 A G E -bd 12 120A 0 -92,-2.7 -90,-2.3 -2,-0.3 2,-0.3 -0.855 1.5-162.5-122.6 160.0 19.0 56.6 31.0 104 105 A F E -bd 13 121A 0 16,-2.2 18,-3.7 -2,-0.3 2,-0.6 -0.925 7.5-163.0-147.7 121.4 21.5 55.9 33.8 105 106 A I E +bd 14 122A 0 -92,-2.5 -90,-1.9 -2,-0.3 18,-0.2 -0.908 31.0 165.2-103.7 112.9 23.6 52.8 34.5 106 107 A G E - d 0 123A 0 16,-2.5 18,-1.5 -2,-0.6 21,-0.2 -0.643 35.8-179.9-124.6 177.3 24.9 52.8 38.0 107 108 A D + 0 0 7 -2,-0.2 21,-1.6 1,-0.2 24,-0.2 0.452 64.9 69.4-142.9 -40.6 26.5 50.7 40.8 108 109 A D S > S- 0 0 25 19,-0.1 3,-1.6 -91,-0.1 4,-0.3 -0.497 81.4-113.3 -99.0 161.1 27.0 52.9 43.9 109 110 A V G > S+ 0 0 64 1,-0.3 3,-1.4 2,-0.2 4,-0.4 0.778 111.6 67.5 -59.1 -33.7 24.6 54.6 46.4 110 111 A V G 3 S+ 0 0 83 1,-0.3 -1,-0.3 2,-0.1 4,-0.2 0.384 94.1 61.2 -74.5 6.7 25.4 58.1 45.1 111 112 A D G <> S+ 0 0 0 -3,-1.6 4,-2.4 2,-0.1 3,-0.3 0.622 81.0 83.9 -98.3 -21.2 23.7 57.1 41.8 112 113 A I H <> S+ 0 0 30 -3,-1.4 4,-1.8 -4,-0.3 5,-0.2 0.854 82.3 59.2 -50.5 -48.2 20.3 56.5 43.4 113 114 A E H > S+ 0 0 109 -4,-0.4 4,-0.6 1,-0.2 3,-0.4 0.915 113.3 36.7 -52.3 -50.4 19.2 60.2 43.4 114 115 A V H >> S+ 0 0 0 -3,-0.3 4,-2.6 -4,-0.2 3,-1.0 0.888 111.7 60.4 -66.6 -43.9 19.6 60.4 39.6 115 116 A X H 3< S+ 0 0 2 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.743 101.9 53.9 -60.1 -25.6 18.3 56.9 39.0 116 117 A K H 3< S+ 0 0 153 -4,-1.8 -1,-0.3 -3,-0.4 -2,-0.2 0.714 113.4 41.9 -80.4 -24.8 14.9 57.8 40.6 117 118 A K H << S+ 0 0 97 -3,-1.0 -2,-0.2 -4,-0.6 -1,-0.1 0.873 100.3 90.1 -83.0 -43.3 14.5 60.8 38.3 118 119 A V S < S- 0 0 7 -4,-2.6 -18,-0.2 1,-0.1 -15,-0.1 -0.047 70.1-138.8 -65.3 153.1 15.6 59.1 35.2 119 120 A G S S+ 0 0 7 -20,-1.8 -16,-0.2 -17,-1.1 -19,-0.2 0.747 97.0 34.9 -83.8 -27.6 13.4 57.1 32.7 120 121 A F E S+d 103 0A 1 -18,-1.5 -16,-2.2 -21,-0.3 2,-0.5 -0.671 74.6 178.5-127.9 75.1 15.7 54.2 32.0 121 122 A P E -d 104 0A 4 0, 0.0 15,-2.1 0, 0.0 16,-1.2 -0.701 8.0-170.1 -79.3 125.0 17.6 53.4 35.3 122 123 A V E -de 105 137A 0 -18,-3.7 -16,-2.5 -2,-0.5 2,-0.4 -0.948 9.1-161.8-117.7 133.6 19.9 50.4 34.9 123 124 A A E -de 106 138A 0 14,-2.3 16,-2.0 -2,-0.4 -16,-0.2 -0.913 19.6-129.2-108.1 142.0 21.8 48.6 37.6 124 125 A V > - 0 0 0 -18,-1.5 3,-1.6 -2,-0.4 18,-0.2 -0.508 34.5-101.2 -82.3 159.8 24.7 46.3 36.9 125 126 A R T 3 S+ 0 0 31 16,-1.8 17,-0.2 1,-0.3 -1,-0.1 0.868 121.0 45.6 -53.3 -46.3 24.6 42.8 38.4 126 127 A N T 3 S+ 0 0 63 16,-0.3 -1,-0.3 -108,-0.2 3,-0.1 0.531 86.5 130.5 -73.7 -11.3 27.0 43.5 41.3 127 128 A A S < S- 0 0 2 -3,-1.6 -19,-0.1 -21,-0.2 -20,-0.1 -0.060 70.1 -92.7 -49.7 145.2 25.2 46.8 42.2 128 129 A V >> - 0 0 40 -21,-1.6 4,-2.6 1,-0.1 3,-0.7 -0.221 38.1-112.4 -54.6 147.5 24.2 47.5 45.8 129 130 A E H 3> S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.830 115.6 57.0 -56.2 -40.2 20.6 46.4 46.6 130 131 A E H 3> S+ 0 0 72 2,-0.2 4,-1.0 1,-0.2 -1,-0.2 0.867 112.8 42.4 -60.9 -37.0 19.3 49.9 47.1 131 132 A V H <> S+ 0 0 0 -3,-0.7 4,-1.5 -24,-0.2 3,-0.4 0.917 112.6 52.6 -72.1 -49.7 20.5 50.7 43.5 132 133 A R H < S+ 0 0 30 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.807 106.4 55.3 -56.4 -32.6 19.2 47.4 42.1 133 134 A K H < S+ 0 0 49 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.858 107.1 47.6 -73.1 -35.1 15.8 48.1 43.6 134 135 A V H < S+ 0 0 43 -4,-1.0 -1,-0.2 -3,-0.4 -2,-0.2 0.782 95.9 98.2 -72.1 -28.9 15.4 51.5 41.9 135 136 A A < - 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