==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-APR-06 2DML . COMPND 2 MOLECULE: PROTEIN DISULFIDE-ISOMERASE A6; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR N.TOCHIO,S.KOSHIBA,M.INOUE,T.KIGAWA,S.YOKOYAMA,RIKEN . 130 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7426.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 60.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 9 6.9 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 . 14 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 23.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 2.3 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 1 0 0 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 3 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 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 G 0 0 137 0, 0.0 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-162.6 -20.2 11.3 -27.8 2 2 A S + 0 0 131 1,-0.4 2,-0.4 0, 0.0 0, 0.0 0.792 360.0 21.2-107.7 -51.5 -18.8 8.3 -29.7 3 3 A S S S- 0 0 112 0, 0.0 -1,-0.4 0, 0.0 2,-0.2 -0.968 71.3-139.7-125.7 138.8 -15.8 7.1 -27.7 4 4 A G + 0 0 73 -2,-0.4 2,-0.3 -3,-0.1 0, 0.0 -0.559 22.5 174.0 -94.6 160.3 -15.0 7.6 -24.1 5 5 A S - 0 0 128 -2,-0.2 2,-0.3 0, 0.0 0, 0.0 -0.926 21.5-122.0-153.2 175.0 -11.6 8.3 -22.5 6 6 A S - 0 0 116 -2,-0.3 2,-0.3 0, 0.0 0, 0.0 -0.829 17.5-143.0-124.2 162.9 -9.9 9.2 -19.2 7 7 A G - 0 0 53 -2,-0.3 2,-0.4 1,-0.0 0, 0.0 -0.788 32.9 -83.5-123.5 167.5 -7.7 12.1 -18.0 8 8 A A - 0 0 112 -2,-0.3 2,-0.1 1,-0.0 3,-0.1 -0.546 48.7-165.4 -72.5 125.4 -4.7 12.5 -15.8 9 9 A V - 0 0 92 -2,-0.4 2,-0.1 1,-0.1 -1,-0.0 -0.424 31.3 -71.4-102.8 180.0 -5.7 12.8 -12.1 10 10 A S + 0 0 89 -2,-0.1 2,-0.2 64,-0.0 -1,-0.1 -0.455 66.1 132.4 -73.8 143.5 -3.8 14.0 -9.0 11 11 A G - 0 0 27 -2,-0.1 10,-0.0 1,-0.1 33,-0.0 -0.579 56.0-134.5 168.7 125.6 -1.1 11.7 -7.6 12 12 A L S S+ 0 0 50 -2,-0.2 2,-0.1 2,-0.0 -1,-0.1 0.812 97.4 53.1 -57.1 -30.6 2.5 12.1 -6.4 13 13 A Y S S- 0 0 2 -3,-0.1 2,-0.3 59,-0.0 7,-0.0 -0.331 74.4-149.6 -97.2-178.3 3.3 9.0 -8.5 14 14 A S > - 0 0 58 5,-0.1 3,-1.1 -2,-0.1 5,-0.2 -0.992 29.8-115.5-155.1 147.5 2.6 8.1 -12.1 15 15 A S T 3 S+ 0 0 109 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.0 0.789 111.7 70.6 -52.4 -28.4 1.9 5.1 -14.3 16 16 A S T 3 S+ 0 0 101 2,-0.0 -1,-0.3 -3,-0.0 4,-0.0 0.932 90.9 67.5 -55.4 -49.6 5.3 5.8 -15.9 17 17 A D S < S- 0 0 43 -3,-1.1 -4,-0.0 1,-0.1 41,-0.0 0.147 103.6 -99.5 -60.0-175.2 7.2 4.8 -12.8 18 18 A D S S+ 0 0 44 40,-0.1 2,-0.3 2,-0.1 52,-0.2 0.671 94.7 100.7 -83.5 -18.7 7.3 1.2 -11.6 19 19 A V S S- 0 0 4 -5,-0.2 2,-0.6 1,-0.1 52,-0.2 -0.521 74.0-132.0 -71.9 129.1 4.6 1.9 -9.0 20 20 A I E -a 71 0A 43 50,-1.5 2,-1.2 -2,-0.3 52,-1.2 -0.731 16.6-126.3 -86.5 119.3 1.2 0.7 -10.0 21 21 A E E -a 72 0A 54 -2,-0.6 2,-0.3 50,-0.2 52,-0.1 -0.480 30.8-158.7 -66.6 95.6 -1.5 3.4 -9.6 22 22 A L - 0 0 0 -2,-1.2 52,-0.4 50,-1.1 -1,-0.0 -0.610 13.5-178.2 -80.8 134.4 -4.0 1.4 -7.5 23 23 A T >> - 0 0 33 -2,-0.3 4,-3.4 50,-0.1 3,-1.3 -0.896 43.7-106.2-131.5 160.9 -7.6 2.7 -7.5 24 24 A P T 34 S+ 0 0 64 0, 0.0 -2,-0.0 0, 0.0 49,-0.0 0.224 118.9 55.8 -69.8 18.3 -10.9 1.8 -5.8 25 25 A S T 34 S+ 0 0 111 3,-0.0 4,-0.1 0, 0.0 -3,-0.0 0.567 123.7 16.4-121.5 -23.9 -12.0 0.5 -9.2 26 26 A N T <> S+ 0 0 50 -3,-1.3 4,-2.4 2,-0.1 3,-0.4 0.514 90.5 104.1-124.4 -18.9 -9.2 -2.0 -10.0 27 27 A F H X>S+ 0 0 8 -4,-3.4 4,-2.5 1,-0.3 5,-1.4 0.789 92.0 44.4 -34.7 -36.0 -7.7 -2.5 -6.5 28 28 A N H 4>S+ 0 0 85 3,-0.2 5,-2.4 -5,-0.2 -1,-0.3 0.912 115.1 44.2 -78.3 -45.9 -9.5 -5.8 -6.6 29 29 A R H 45S+ 0 0 199 -3,-0.4 -2,-0.2 3,-0.2 -1,-0.2 0.534 123.7 40.7 -76.0 -5.7 -8.6 -6.8 -10.1 30 30 A E H <5S+ 0 0 57 -4,-2.4 -2,-0.2 -7,-0.1 -3,-0.2 0.798 137.2 5.2-106.2 -49.5 -5.0 -5.6 -9.3 31 31 A V T ><5S+ 0 0 0 -4,-2.5 3,-2.8 -5,-0.4 -3,-0.2 0.858 131.4 47.4-100.7 -64.3 -4.4 -6.9 -5.8 32 32 A I T 3 - 0 0 0 31,-0.2 3,-1.2 -2,-0.2 7,-0.3 -0.969 5.0-153.2-138.8 121.2 -1.2 11.8 1.0 45 45 A P T 3 S+ 0 0 34 0, 0.0 -34,-0.1 0, 0.0 -1,-0.1 0.416 102.6 50.8 -69.8 4.0 -0.4 14.4 -1.7 46 46 A W T 3 S+ 0 0 142 0, 0.0 2,-0.1 0, 0.0 -3,-0.0 0.510 97.3 80.8-115.7 -13.8 -1.1 17.0 0.9 47 47 A C < - 0 0 20 -3,-1.2 4,-0.4 1,-0.1 -4,-0.0 -0.295 69.1-138.3 -87.6 175.5 1.2 15.6 3.7 48 48 A G S > S+ 0 0 29 2,-0.1 4,-1.3 3,-0.1 3,-0.5 0.877 96.0 44.7 -98.3 -70.6 4.9 16.1 4.1 49 49 A H T 4 S+ 0 0 93 1,-0.3 -1,-0.0 2,-0.2 -2,-0.0 0.783 114.9 56.9 -46.2 -29.1 6.5 12.8 5.2 50 50 A C T >4 S+ 0 0 0 1,-0.2 3,-2.7 2,-0.2 -1,-0.3 0.954 101.6 50.8 -69.3 -51.9 4.3 11.2 2.5 51 51 A Q G >4 S+ 0 0 91 -3,-0.5 3,-0.6 -4,-0.4 -1,-0.2 0.696 107.3 58.1 -59.7 -17.8 5.6 13.3 -0.4 52 52 A R G 3< S+ 0 0 190 -4,-1.3 4,-0.4 1,-0.2 -1,-0.3 0.436 95.6 63.7 -91.3 -1.3 9.1 12.3 0.8 53 53 A L G <> S+ 0 0 3 -3,-2.7 4,-2.2 -5,-0.2 5,-0.3 0.280 76.3 91.1-103.4 8.0 8.2 8.6 0.4 54 54 A T H <> S+ 0 0 18 -3,-0.6 4,-2.3 2,-0.2 5,-0.2 0.954 93.4 36.3 -66.7 -51.8 7.7 8.9 -3.4 55 55 A P H > S+ 0 0 72 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.863 119.2 50.4 -69.8 -37.8 11.3 8.0 -4.2 56 56 A E H > S+ 0 0 51 -4,-0.4 4,-1.3 2,-0.2 -2,-0.2 0.928 115.8 40.9 -67.0 -46.5 11.7 5.5 -1.4 57 57 A W H X S+ 0 0 0 -4,-2.2 4,-1.6 2,-0.2 -3,-0.2 0.921 113.8 53.2 -68.0 -45.3 8.5 3.7 -2.3 58 58 A K H X S+ 0 0 48 -4,-2.3 4,-1.8 -5,-0.3 3,-0.3 0.925 103.3 57.8 -55.8 -48.0 9.1 3.9 -6.1 59 59 A K H >X S+ 0 0 108 -4,-2.1 4,-1.7 1,-0.3 3,-0.6 0.921 106.6 47.9 -48.5 -51.5 12.6 2.3 -5.7 60 60 A A H 3X S+ 0 0 0 -4,-1.3 4,-3.0 1,-0.3 -1,-0.3 0.843 108.5 55.9 -59.9 -34.4 11.1 -0.8 -4.0 61 61 A A H 3< S+ 0 0 0 -4,-1.6 -1,-0.3 -3,-0.3 9,-0.2 0.812 104.3 54.1 -68.0 -30.6 8.5 -0.9 -6.9 62 62 A T H << S+ 0 0 72 -4,-1.8 3,-0.3 -3,-0.6 4,-0.3 0.924 117.3 34.1 -69.6 -46.0 11.4 -1.0 -9.4 63 63 A A H >< S+ 0 0 56 -4,-1.7 3,-0.6 1,-0.2 4,-0.4 0.906 125.3 41.8 -75.7 -44.2 13.1 -4.0 -7.8 64 64 A L T 3X S+ 0 0 0 -4,-3.0 4,-0.7 -5,-0.2 -1,-0.2 0.265 83.2 111.5 -86.4 12.0 9.9 -5.7 -6.7 65 65 A K T 34 S+ 0 0 93 -3,-0.3 -1,-0.2 1,-0.2 -2,-0.1 0.908 96.3 18.6 -50.4 -47.4 8.3 -4.8 -10.0 66 66 A D T <4 S+ 0 0 150 -3,-0.6 -1,-0.2 -4,-0.3 3,-0.2 0.637 132.9 49.0 -98.0 -19.7 8.3 -8.5 -11.0 67 67 A V T 4 S+ 0 0 42 -4,-0.4 2,-0.5 1,-0.3 -30,-0.5 0.965 124.5 8.5 -82.1 -68.8 8.7 -9.8 -7.4 68 68 A V S < S- 0 0 0 -4,-0.7 2,-0.9 -8,-0.2 -1,-0.3 -0.962 77.4-122.7-122.6 118.0 6.1 -8.0 -5.4 69 69 A K E -b 38 0B 86 -32,-1.7 -30,-2.9 -2,-0.5 2,-0.9 -0.390 30.6-164.7 -59.0 99.5 3.5 -5.8 -7.0 70 70 A V E +b 39 0B 3 -2,-0.9 -50,-1.5 -9,-0.2 -30,-0.2 -0.782 17.6 167.7 -94.0 101.4 4.1 -2.4 -5.3 71 71 A G E -a 20 0A 0 -32,-1.1 -30,-0.4 -2,-0.9 2,-0.2 -0.012 23.9-135.5 -94.6-158.4 1.1 -0.2 -5.9 72 72 A A E -a 21 0A 0 -52,-1.2 -50,-1.1 -32,-0.2 2,-0.5 -0.810 9.7-166.3-168.1 122.7 0.1 3.1 -4.4 73 73 A V E -d 42 0B 0 -32,-1.6 2,-1.6 -2,-0.2 -30,-1.1 -0.958 24.5-130.9-118.5 123.3 -3.3 4.5 -3.2 74 74 A N E >> -d 43 0B 5 -2,-0.5 4,-2.8 -52,-0.4 3,-0.7 -0.531 17.3-164.3 -72.4 90.0 -3.8 8.2 -2.5 75 75 A A T 34 S+ 0 0 0 -2,-1.6 -1,-0.2 -32,-1.3 8,-0.2 0.841 89.9 55.4 -41.8 -40.7 -5.4 7.9 1.0 76 76 A D T 34 S+ 0 0 77 -33,-0.8 3,-0.5 2,-0.1 -1,-0.3 0.935 121.3 26.9 -60.6 -48.6 -6.5 11.5 0.4 77 77 A K T <4 S+ 0 0 92 -3,-0.7 2,-1.4 1,-0.2 3,-0.3 0.967 126.3 44.5 -78.6 -59.8 -8.3 10.7 -2.8 78 78 A H >X + 0 0 19 -4,-2.8 4,-1.8 1,-0.2 3,-1.2 -0.174 69.1 151.8 -80.2 44.6 -9.2 7.0 -2.3 79 79 A Q H 3> + 0 0 112 -2,-1.4 4,-1.7 -3,-0.5 5,-0.3 0.728 69.5 61.7 -47.7 -21.7 -10.3 7.9 1.2 80 80 A S H 3> S+ 0 0 71 -3,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.921 104.2 44.0 -72.6 -45.8 -12.6 4.9 0.7 81 81 A L H <> S+ 0 0 7 -3,-1.2 4,-0.6 2,-0.2 -2,-0.2 0.956 116.2 46.8 -64.3 -52.1 -9.8 2.4 0.3 82 82 A G H >X>S+ 0 0 0 -4,-1.8 4,-2.3 1,-0.2 5,-1.9 0.972 119.2 37.8 -54.6 -62.4 -7.7 3.7 3.1 83 83 A G H 3<5S+ 0 0 45 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.899 105.1 68.3 -57.7 -43.0 -10.5 3.9 5.7 84 84 A Q H 3<5S+ 0 0 150 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.699 114.2 32.5 -50.5 -18.1 -12.1 0.7 4.4 85 85 A Y H <<5S- 0 0 58 -3,-1.7 -1,-0.2 -4,-0.6 -2,-0.2 0.737 127.8 -91.5-107.6 -37.6 -9.0 -0.9 5.9 86 86 A G T <5 + 0 0 51 -4,-2.3 2,-0.7 -5,-0.2 -3,-0.3 0.585 63.1 159.1 128.7 29.2 -8.2 1.3 8.8 87 87 A V < + 0 0 10 -5,-1.9 -1,-0.2 1,-0.2 3,-0.1 -0.726 11.0 140.5 -85.7 116.3 -5.9 4.0 7.5 88 88 A Q + 0 0 185 -2,-0.7 2,-0.4 1,-0.3 -1,-0.2 0.575 66.6 41.6-124.4 -27.7 -6.0 7.1 9.8 89 89 A G S S- 0 0 50 2,-0.0 -1,-0.3 -47,-0.0 -47,-0.1 -0.935 87.9-114.8-132.2 112.3 -2.3 8.2 9.9 90 90 A F S S+ 0 0 29 -2,-0.4 2,-0.1 -3,-0.1 -47,-0.1 -0.548 86.6 55.2 -95.8 162.3 -0.1 8.1 6.8 91 91 A P S S+ 0 0 23 0, 0.0 2,-0.4 0, 0.0 -48,-0.2 0.498 73.3 168.6 -69.8 150.6 2.2 7.1 5.5 92 92 A T E -C 42 0B 28 -50,-1.6 -50,-3.2 -2,-0.1 2,-0.3 -0.887 15.3-165.1-137.9 105.1 0.6 3.7 6.0 93 93 A I E -C 41 0B 10 -2,-0.4 13,-1.3 13,-0.3 2,-0.4 -0.664 5.3-167.1 -90.5 143.6 2.0 0.6 4.2 94 94 A K E -CE 40 105B 20 -54,-2.7 -54,-1.8 -2,-0.3 2,-0.4 -0.995 11.2-143.6-133.9 135.9 0.0 -2.6 3.9 95 95 A I E -CE 39 104B 19 9,-2.3 9,-2.1 -2,-0.4 2,-0.5 -0.834 11.5-158.8-101.2 132.5 1.2 -6.1 2.8 96 96 A F E +C 38 0B 0 -58,-2.9 -58,-2.0 -2,-0.4 4,-0.1 -0.939 47.1 92.4-113.9 124.7 -1.1 -8.4 0.8 97 97 A G S S+ 0 0 24 -2,-0.5 3,-0.4 -60,-0.2 -1,-0.1 -0.078 78.3 35.3-163.4 -88.4 -0.6 -12.1 0.7 98 98 A A S S+ 0 0 103 1,-0.3 2,-0.7 2,-0.1 3,-0.1 0.964 131.2 21.3 -49.4 -65.6 -2.2 -14.7 3.0 99 99 A N > - 0 0 60 3,-0.5 3,-1.3 1,-0.1 -1,-0.3 -0.867 64.0-169.9-112.8 99.2 -5.5 -12.8 3.3 100 100 A K T 3 S+ 0 0 24 -2,-0.7 -1,-0.1 -3,-0.4 -68,-0.1 0.704 92.7 56.0 -57.7 -18.6 -6.1 -10.4 0.5 101 101 A N T 3 S+ 0 0 122 1,-0.3 -1,-0.3 -3,-0.1 -69,-0.0 0.758 116.6 33.2 -84.7 -27.5 -9.1 -9.2 2.5 102 102 A K S < S- 0 0 152 -3,-1.3 -3,-0.5 -5,-0.0 -1,-0.3 -0.832 79.2-164.8-135.0 96.4 -6.9 -8.4 5.6 103 103 A P - 0 0 22 0, 0.0 2,-0.4 0, 0.0 -7,-0.2 -0.052 24.4-103.3 -69.7 176.2 -3.3 -7.2 4.9 104 104 A E E -E 95 0B 109 -9,-2.1 -9,-2.3 1,-0.0 2,-0.8 -0.851 31.0-107.3-108.4 141.9 -0.5 -7.1 7.4 105 105 A D E -E 94 0B 110 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.528 35.7-135.3 -68.7 105.4 0.8 -3.9 9.1 106 106 A Y + 0 0 28 -13,-1.3 -13,-0.3 -2,-0.8 -1,-0.1 -0.490 36.7 163.3 -66.4 116.0 4.2 -3.3 7.4 107 107 A Q + 0 0 177 -2,-0.5 -1,-0.2 2,-0.0 3,-0.1 0.616 41.0 104.6-106.7 -21.0 6.7 -2.4 10.2 108 108 A G S S- 0 0 37 1,-0.2 7,-0.1 6,-0.1 2,-0.0 0.177 88.9 -57.3 -51.0 179.0 9.8 -3.0 8.2 109 109 A G - 0 0 36 1,-0.1 -1,-0.2 5,-0.1 9,-0.1 -0.341 38.6-141.5 -64.9 142.2 11.9 -0.0 6.9 110 110 A R + 0 0 108 -3,-0.1 2,-0.4 4,-0.1 -1,-0.1 -0.067 66.5 113.2 -94.0 32.9 10.1 2.4 4.6 111 111 A T S > S- 0 0 56 1,-0.1 4,-2.6 -54,-0.1 5,-0.4 -0.866 82.6-114.6-109.0 139.9 13.2 2.8 2.4 112 112 A G H > S+ 0 0 4 -2,-0.4 4,-0.9 1,-0.2 -49,-0.1 0.775 120.5 46.2 -37.2 -33.2 13.4 1.7 -1.2 113 113 A E H > S+ 0 0 158 2,-0.2 4,-1.6 3,-0.1 3,-0.5 0.974 112.8 44.4 -76.5 -60.5 16.0 -0.8 0.1 114 114 A A H > S+ 0 0 28 1,-0.2 4,-2.7 2,-0.2 3,-0.4 0.925 110.0 56.9 -49.3 -52.3 14.2 -2.1 3.2 115 115 A I H X S+ 0 0 0 -4,-2.6 4,-3.3 1,-0.3 5,-0.3 0.883 103.5 54.9 -47.5 -44.6 11.0 -2.5 1.3 116 116 A V H X S+ 0 0 36 -4,-0.9 4,-1.7 -3,-0.5 -1,-0.3 0.919 111.0 43.5 -56.8 -46.8 12.8 -4.7 -1.2 117 117 A D H X S+ 0 0 114 -4,-1.6 4,-2.3 -3,-0.4 -1,-0.2 0.845 114.8 51.3 -68.2 -34.5 13.9 -7.0 1.6 118 118 A A H X S+ 0 0 22 -4,-2.7 4,-2.1 -5,-0.2 5,-0.2 0.949 107.7 50.1 -67.7 -50.8 10.5 -6.9 3.2 119 119 A A H X S+ 0 0 1 -4,-3.3 4,-2.4 -5,-0.2 -2,-0.2 0.888 114.0 47.2 -55.1 -41.9 8.6 -7.8 -0.0 120 120 A L H X S+ 0 0 70 -4,-1.7 4,-2.3 -5,-0.3 5,-0.2 0.982 106.9 53.6 -64.5 -59.4 10.9 -10.8 -0.6 121 121 A S H X S+ 0 0 82 -4,-2.3 4,-1.1 1,-0.3 -1,-0.2 0.865 114.8 43.9 -42.9 -44.2 10.8 -12.2 3.0 122 122 A A H X S+ 0 0 25 -4,-2.1 4,-1.0 2,-0.2 -1,-0.3 0.918 107.4 58.9 -69.4 -45.0 7.0 -12.2 2.6 123 123 A L H >< S+ 0 0 24 -4,-2.4 3,-2.1 1,-0.2 -2,-0.2 0.936 100.8 55.7 -48.9 -55.4 7.0 -13.6 -0.9 124 124 A R H 3< S+ 0 0 216 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.910 97.6 62.6 -43.9 -53.9 8.9 -16.7 0.2 125 125 A S H 3< S+ 0 0 112 -4,-1.1 -1,-0.3 -5,-0.2 -2,-0.2 0.813 98.8 72.5 -43.4 -34.5 6.2 -17.5 2.8 126 126 A G S << S- 0 0 30 -3,-2.1 -89,-0.1 -4,-1.0 -90,-0.0 -0.589 81.0-137.2 -88.2 148.1 3.9 -17.8 -0.1 127 127 A P S S+ 0 0 127 0, 0.0 2,-0.4 0, 0.0 -1,-0.1 0.824 72.3 111.4 -69.7 -32.8 3.9 -20.8 -2.6 128 128 A S - 0 0 40 -93,-0.2 -2,-0.1 -5,-0.1 -91,-0.1 -0.226 66.0-145.0 -48.0 100.4 3.5 -18.5 -5.6 129 129 A S 0 0 117 -2,-0.4 -1,-0.1 1,-0.2 -5,-0.0 -0.189 360.0 360.0 -67.2 162.7 7.0 -18.9 -7.2 130 130 A G 0 0 90 -94,-0.0 -1,-0.2 0, 0.0 -2,-0.1 0.034 360.0 360.0 109.0 360.0 8.7 -16.1 -8.9