==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=28-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 17-AUG-00 1FMF . COMPND 2 MOLECULE: METHYLASPARTATE MUTASE S CHAIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM TETANOMORPHUM; . AUTHOR B.HOFFMANN,R.KONRAT,M.TOLLINGER,M HUHTA,E.N.G.MARSH, . 137 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 97 70.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 21.2 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 . 1 0.7 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 . 12 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 37 27.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 2.9 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 1 1 1 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 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 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 1 A M 0 0 104 0, 0.0 53,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 151.1 13.3 5.2 11.5 2 2 A E + 0 0 144 1,-0.1 2,-0.3 52,-0.0 52,-0.1 0.930 360.0 7.3 -72.8 -49.6 16.5 5.8 9.5 3 3 A K S S- 0 0 67 51,-0.2 2,-0.9 50,-0.2 -1,-0.1 -0.802 82.5 -99.1-127.5 165.4 15.1 5.6 6.0 4 4 A K - 0 0 76 -2,-0.3 29,-1.5 51,-0.1 2,-0.5 -0.844 39.3-172.8 -91.8 110.0 11.7 5.5 4.5 5 5 A T E -ab 33 55A 0 -2,-0.9 51,-2.5 49,-0.7 52,-1.9 -0.916 5.1-166.7 -99.7 130.6 10.9 1.9 3.5 6 6 A I E -ab 34 57A 0 27,-2.4 29,-2.0 -2,-0.5 2,-0.4 -0.854 5.3-159.5-106.5 144.3 7.8 1.2 1.5 7 7 A V E -ab 35 58A 0 50,-0.8 52,-2.5 -2,-0.4 2,-0.5 -0.993 6.8-167.5-130.3 116.4 6.8 -2.3 1.3 8 8 A L E +ab 36 59A 4 27,-1.8 29,-1.9 -2,-0.4 30,-0.6 -0.950 9.0 174.1-118.1 129.1 4.4 -3.3 -1.6 9 9 A G E -ab 38 60A 0 50,-1.6 52,-2.5 -2,-0.5 2,-0.7 -0.966 33.4-126.7-124.1 145.7 2.6 -6.6 -1.8 10 10 A V E -ab 39 61A 4 28,-1.5 30,-1.0 -2,-0.4 31,-0.9 -0.857 39.3-138.0 -97.2 120.7 0.0 -7.8 -4.3 11 11 A I E -a 41 0A 1 50,-1.5 52,-0.4 -2,-0.7 55,-0.2 -0.626 50.8 -13.9 -96.8 129.2 -2.7 -8.9 -2.0 12 12 A G S S- 0 0 17 29,-0.9 28,-0.2 -2,-0.4 29,-0.2 -0.135 92.0 -56.4 77.1-176.6 -4.8 -12.0 -2.4 13 13 A S S S+ 0 0 79 27,-0.1 50,-0.3 1,-0.1 27,-0.1 0.027 95.8 75.2 -87.0-164.2 -5.0 -14.1 -5.5 14 14 A D S S+ 0 0 112 1,-0.2 2,-0.2 26,-0.0 49,-0.1 0.982 73.4 118.6 57.4 62.4 -5.9 -13.3 -9.1 15 15 A C + 0 0 27 1,-0.1 -1,-0.2 24,-0.1 -5,-0.1 -0.786 33.5 169.7-164.3 108.4 -2.6 -11.6 -9.8 16 16 A H S S- 0 0 154 -2,-0.2 23,-0.1 47,-0.1 -1,-0.1 0.956 76.4 -78.7 -76.7 -68.2 0.1 -12.5 -12.3 17 17 A A S > S+ 0 0 17 21,-0.0 3,-1.8 46,-0.0 2,-0.4 0.108 75.8 157.3 176.1 27.0 2.2 -9.3 -11.8 18 18 A V T 3 S+ 0 0 90 1,-0.3 -2,-0.0 2,-0.1 0, 0.0 -0.560 79.3 1.1 -79.9 120.4 0.1 -6.9 -14.0 19 19 A G T 3 S+ 0 0 41 -2,-0.4 -1,-0.3 73,-0.0 102,-0.1 0.814 125.5 79.4 67.3 31.3 0.7 -3.3 -12.9 20 20 A N S < S+ 0 0 8 -3,-1.8 -2,-0.1 3,-0.1 -10,-0.1 -0.307 76.9 63.2-163.7 55.4 3.2 -4.8 -10.4 21 21 A K S S+ 0 0 109 0, 0.0 -3,-0.1 0, 0.0 4,-0.1 0.328 124.7 11.8-149.2 -37.6 6.3 -5.5 -12.5 22 22 A I S > S+ 0 0 116 2,-0.1 4,-1.4 3,-0.1 5,-0.1 0.416 121.7 68.8-117.8 -15.8 7.2 -2.0 -13.6 23 23 A L H > S+ 0 0 45 2,-0.2 4,-0.5 1,-0.2 -3,-0.1 0.741 106.2 41.7 -74.1 -25.8 4.8 -0.4 -11.1 24 24 A D H >> S+ 0 0 26 2,-0.2 4,-2.0 1,-0.1 3,-0.7 0.853 109.3 59.7 -78.5 -39.7 7.2 -1.8 -8.4 25 25 A H H 3> S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.774 99.3 58.9 -57.4 -32.0 10.2 -0.7 -10.6 26 26 A S H 3< S+ 0 0 15 -4,-1.4 4,-0.3 2,-0.2 -1,-0.2 0.874 108.2 42.8 -63.6 -43.3 8.9 2.9 -10.4 27 27 A F H <<>S+ 0 0 6 -3,-0.7 5,-1.4 -4,-0.5 3,-0.3 0.840 114.2 49.4 -75.4 -36.9 9.1 3.1 -6.6 28 28 A T H ><5S+ 0 0 74 -4,-2.0 3,-0.8 1,-0.2 -2,-0.2 0.886 113.8 48.2 -67.1 -38.0 12.4 1.3 -6.5 29 29 A N T 3<5S+ 0 0 126 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.587 95.2 76.1 -67.6 -20.5 13.5 3.8 -9.1 30 30 A A T 3 5S- 0 0 25 -3,-0.3 -1,-0.2 -4,-0.3 -2,-0.2 0.369 119.3-102.9 -81.9 6.1 12.0 6.6 -7.0 31 31 A G T < 5S+ 0 0 72 -3,-0.8 2,-0.3 1,-0.3 -3,-0.1 0.640 82.0 135.4 79.0 17.7 15.0 6.4 -4.6 32 32 A F < - 0 0 23 -5,-1.4 2,-0.9 -29,-0.1 -1,-0.3 -0.704 67.5-116.7 -96.0 151.2 12.8 4.6 -2.1 33 33 A N E -a 5 0A 78 -29,-1.5 -27,-2.4 -2,-0.3 2,-0.6 -0.792 46.3-175.8 -78.0 109.8 13.7 1.5 -0.2 34 34 A V E -a 6 0A 20 -2,-0.9 2,-0.7 -29,-0.2 -27,-0.2 -0.933 16.3-161.2-125.7 109.0 11.1 -0.7 -1.8 35 35 A V E -a 7 0A 47 -29,-2.0 -27,-1.8 -2,-0.6 2,-1.0 -0.791 11.8-147.0 -90.9 114.1 10.7 -4.2 -0.6 36 36 A N E -a 8 0A 81 -2,-0.7 -27,-0.2 1,-0.2 3,-0.1 -0.757 12.2-170.5 -85.9 103.6 8.8 -6.4 -3.2 37 37 A I E - 0 0 37 -29,-1.9 -28,-0.2 -2,-1.0 -1,-0.2 0.715 49.2 -97.4 -69.0 -24.6 6.9 -8.7 -0.8 38 38 A G E -a 9 0A 21 -30,-0.6 -28,-1.5 3,-0.1 2,-0.4 -0.139 36.3 -76.0 117.5 149.7 5.9 -10.8 -3.8 39 39 A V E S+a 10 0A 44 -30,-0.2 -28,-0.1 -23,-0.1 -24,-0.1 -0.671 117.9 25.5 -81.0 131.4 2.9 -11.1 -6.1 40 40 A L E S+ 0 0 110 -30,-1.0 2,-0.3 -2,-0.4 -29,-0.2 0.835 90.1 156.9 64.4 106.8 0.2 -12.9 -4.1 41 41 A S E -a 11 0A 10 -31,-0.9 -29,-0.9 -29,-0.2 2,-0.2 -0.978 40.4-120.7-162.4 141.9 1.2 -12.2 -0.5 42 42 A S >> - 0 0 52 -2,-0.3 3,-1.6 -31,-0.1 4,-0.7 -0.617 26.4-121.6 -86.6 150.6 -0.3 -12.1 3.0 43 43 A Q H 3> S+ 0 0 10 1,-0.3 4,-2.7 -2,-0.2 5,-0.2 0.716 111.4 65.4 -63.4 -28.5 -0.4 -9.0 5.1 44 44 A E H 34 S+ 0 0 136 1,-0.2 4,-0.4 2,-0.2 -1,-0.3 0.694 102.5 51.8 -68.0 -14.7 1.5 -10.7 7.9 45 45 A D H <> S+ 0 0 75 -3,-1.6 4,-1.6 2,-0.2 -2,-0.2 0.748 108.6 48.7 -84.1 -29.6 4.4 -10.9 5.3 46 46 A F H X S+ 0 0 0 -4,-0.7 4,-1.7 2,-0.2 -2,-0.2 0.909 110.9 49.7 -75.9 -43.2 4.1 -7.1 4.6 47 47 A I H X S+ 0 0 7 -4,-2.7 4,-1.9 2,-0.2 -1,-0.2 0.834 107.2 57.2 -49.8 -39.7 4.2 -6.6 8.2 48 48 A N H > S+ 0 0 76 -4,-0.4 4,-2.1 2,-0.2 -2,-0.2 0.850 103.4 51.1 -71.8 -33.7 7.2 -8.8 8.1 49 49 A A H X S+ 0 0 2 -4,-1.6 4,-2.9 2,-0.2 5,-0.5 0.815 110.7 50.7 -67.7 -29.0 8.9 -6.5 5.6 50 50 A A H X S+ 0 0 1 -4,-1.7 4,-0.8 2,-0.2 5,-0.4 0.813 110.5 47.3 -76.5 -30.6 8.2 -3.7 8.1 51 51 A I H < S+ 0 0 100 -4,-1.9 -2,-0.2 3,-0.2 -1,-0.2 0.873 119.1 43.6 -67.1 -37.5 9.7 -5.8 10.9 52 52 A E H < S+ 0 0 131 -4,-2.1 -2,-0.2 -5,-0.1 -3,-0.2 0.948 131.5 15.9 -73.9 -50.9 12.6 -6.4 8.7 53 53 A T H < S- 0 0 28 -4,-2.9 -3,-0.2 -5,-0.1 -50,-0.2 0.893 102.2-108.6 -87.4 -45.1 13.3 -3.1 7.2 54 54 A K < - 0 0 81 -4,-0.8 -49,-0.7 -5,-0.5 -51,-0.2 0.743 38.3-146.3 90.6 78.5 11.4 -0.6 9.3 55 55 A A E -b 5 0A 0 -5,-0.4 -49,-0.2 -8,-0.2 3,-0.1 -0.478 24.9-175.9 -66.4 133.9 8.5 0.4 7.0 56 56 A D E S+ 0 0 25 -51,-2.5 31,-1.6 1,-0.3 2,-0.3 0.615 82.6 24.1 -90.3 -28.0 7.3 3.9 7.3 57 57 A L E -bc 6 87A 2 -52,-1.9 -50,-0.8 29,-0.2 2,-0.4 -0.985 65.4-157.9-140.5 145.1 4.6 2.9 4.7 58 58 A I E -bc 7 88A 0 29,-0.9 31,-1.1 -2,-0.3 2,-0.3 -0.966 13.8-164.2-132.1 115.9 2.9 -0.3 3.6 59 59 A C E -bc 8 89A 8 -52,-2.5 -50,-1.6 -2,-0.4 2,-0.4 -0.729 6.3-157.9 -97.8 141.2 1.3 -0.6 0.2 60 60 A V E -bc 9 90A 4 29,-0.9 31,-1.9 -2,-0.3 2,-0.5 -0.944 10.3-147.5-115.6 141.5 -1.1 -3.2 -1.1 61 61 A S E -bc 10 91A 10 -52,-2.5 -50,-1.5 -2,-0.4 2,-0.5 -0.959 12.2-161.3-115.3 113.0 -1.6 -3.8 -4.8 62 62 A S E + c 0 92A 1 29,-2.4 31,-2.1 -2,-0.5 32,-0.1 -0.852 26.0 157.0-104.3 125.8 -5.1 -4.9 -5.8 63 63 A L S S+ 0 0 31 -2,-0.5 -47,-0.1 -52,-0.4 -1,-0.1 -0.164 71.4 53.8-133.9 34.0 -5.6 -6.6 -9.2 64 64 A Y S S- 0 0 33 29,-0.5 30,-0.1 31,-0.1 32,-0.1 0.323 105.1-105.9-160.7 1.6 -8.8 -8.4 -8.4 65 65 A G S S+ 0 0 6 28,-0.5 29,-0.1 30,-0.2 31,-0.1 0.668 102.0 91.3 72.9 16.4 -11.5 -5.9 -7.2 66 66 A Q > + 0 0 93 27,-0.4 4,-1.3 29,-0.2 5,-0.3 -0.114 39.0 128.6-135.4 32.6 -11.1 -7.2 -3.6 67 67 A G H > S+ 0 0 0 26,-1.2 4,-1.9 1,-0.2 28,-0.2 0.883 81.3 40.3 -56.6 -45.0 -8.4 -4.9 -2.3 68 68 A E H > S+ 0 0 35 26,-2.0 4,-1.9 2,-0.2 -1,-0.2 0.764 100.7 74.6 -71.8 -31.0 -10.5 -4.0 0.7 69 69 A I H 4 S+ 0 0 109 25,-0.2 -2,-0.2 1,-0.2 -1,-0.2 0.893 117.5 14.0 -63.5 -44.5 -11.7 -7.5 1.3 70 70 A D H < S+ 0 0 69 -4,-1.3 -1,-0.2 -3,-0.1 -2,-0.2 0.891 124.6 59.9 -77.7 -52.0 -8.3 -8.7 2.7 71 71 A C H >< + 0 0 0 -4,-1.9 3,-1.0 -5,-0.3 4,-0.2 0.679 66.4 120.3 -66.7 -27.6 -6.6 -5.4 3.3 72 72 A K T 3< S+ 0 0 85 -4,-1.9 36,-0.1 1,-0.3 -4,-0.0 -0.090 83.4 12.1 -49.9 114.9 -8.9 -3.7 5.8 73 73 A G T 3> S+ 0 0 12 35,-0.2 4,-0.7 3,-0.0 -1,-0.3 0.801 77.3 126.4 82.3 36.2 -7.0 -2.9 9.0 74 74 A L H <> S+ 0 0 0 -3,-1.0 4,-1.7 2,-0.2 5,-0.2 0.641 80.1 56.3 -75.5 -25.9 -3.4 -3.6 8.0 75 75 A R H > S+ 0 0 69 2,-0.2 4,-1.8 -4,-0.2 10,-0.2 0.931 115.8 36.7 -66.3 -41.3 -2.9 -0.1 9.3 76 76 A E H > S+ 0 0 81 2,-0.2 4,-1.6 35,-0.2 -2,-0.2 0.647 116.1 52.5 -77.5 -26.2 -4.3 -1.5 12.5 77 77 A K H X S+ 0 0 48 -4,-0.7 4,-1.1 2,-0.2 -2,-0.2 0.682 113.5 44.3 -76.0 -28.8 -2.6 -4.9 12.0 78 78 A C H <>S+ 0 0 0 -4,-1.7 5,-2.1 2,-0.2 -2,-0.2 0.828 115.3 48.3 -77.1 -38.0 0.6 -2.9 11.6 79 79 A D H ><5S+ 0 0 52 -4,-1.8 3,-0.9 1,-0.2 5,-0.3 0.900 116.4 43.2 -59.0 -45.0 -0.5 -1.0 14.6 80 80 A E H 3<5S+ 0 0 129 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.791 104.1 64.6 -73.3 -29.9 -1.2 -4.3 16.2 81 81 A A T 3<5S- 0 0 40 -4,-1.1 -1,-0.2 2,-0.1 -2,-0.2 0.438 123.2-100.7 -73.9 -0.4 2.0 -5.8 14.9 82 82 A G T < 5S+ 0 0 50 -3,-0.9 -3,-0.2 -4,-0.2 -2,-0.1 0.890 99.1 111.1 77.0 42.0 4.0 -3.3 17.0 83 83 A L > < + 0 0 21 -5,-2.1 3,-0.8 -8,-0.1 2,-0.5 -0.398 38.6 155.9-145.2 48.3 4.6 -1.2 13.9 84 84 A K T 3 + 0 0 140 -5,-0.3 3,-0.1 1,-0.2 -5,-0.1 -0.757 54.2 56.4 -91.2 125.5 2.4 1.8 14.8 85 85 A G T 3 S+ 0 0 68 -2,-0.5 2,-0.4 1,-0.5 -1,-0.2 -0.144 77.6 122.1 138.3 -29.9 3.5 5.0 13.1 86 86 A I < - 0 0 8 -3,-0.8 -1,-0.5 -11,-0.1 2,-0.4 -0.501 49.2-156.7 -67.5 124.7 3.1 3.4 9.7 87 87 A K E -c 57 0A 71 -31,-1.6 -29,-0.9 -2,-0.4 2,-0.3 -0.813 18.4-137.0 -98.1 135.5 0.7 5.1 7.3 88 88 A L E -c 58 0A 0 24,-0.4 27,-1.4 -2,-0.4 26,-1.2 -0.782 12.2-154.7-110.0 148.3 -0.7 2.9 4.6 89 89 A F E -cd 59 115A 2 -31,-1.1 -29,-0.9 -2,-0.3 2,-0.4 -0.862 7.9-167.1-107.7 145.4 -1.3 3.2 0.9 90 90 A V E +cd 60 116A 0 25,-1.7 27,-2.4 -2,-0.3 2,-0.3 -0.979 18.4 169.7-136.1 123.7 -4.0 1.1 -0.9 91 91 A G E +cd 61 117A 12 -31,-1.9 -29,-2.4 -2,-0.4 2,-0.3 -0.950 29.6 25.6-139.4 152.2 -4.0 1.1 -4.6 92 92 A G E S+c 62 0A 12 26,-1.6 2,-1.9 25,-0.6 3,-0.2 -0.819 114.1 2.2 113.1-141.3 -5.4 -0.6 -7.7 93 93 A N S S+ 0 0 51 -31,-2.1 -26,-1.2 -2,-0.3 -28,-0.5 -0.598 76.2 163.5 -82.6 71.9 -8.8 -2.4 -8.0 94 94 A I + 0 0 0 -2,-1.9 -26,-2.0 23,-0.3 2,-0.2 0.791 66.9 14.2 -68.7 -35.8 -9.4 -1.4 -4.4 95 95 A V S S- 0 0 9 2,-0.6 2,-0.7 -3,-0.2 -29,-0.2 -0.715 123.0 -53.5-126.4 176.7 -13.1 -2.2 -4.7 96 96 A V S S- 0 0 122 -2,-0.2 2,-1.2 -31,-0.1 -2,-0.1 -0.421 119.9 -37.3 -61.2 101.6 -14.9 -4.1 -7.4 97 97 A G S S- 0 0 35 -2,-0.7 -2,-0.6 -4,-0.1 2,-0.2 -0.736 120.5 -56.6 72.7 -98.9 -13.5 -2.0 -10.2 98 98 A K - 0 0 111 -2,-1.2 -2,-0.1 -5,-0.1 -5,-0.1 -0.737 53.2-158.8-171.4 129.6 -13.7 1.1 -8.1 99 99 A Q - 0 0 99 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.811 52.8 -49.5 -73.8-112.9 -16.8 2.6 -6.4 100 100 A N >> - 0 0 101 1,-0.1 3,-2.3 0, 0.0 4,-1.3 -0.879 40.9-129.0-147.3 107.0 -16.8 6.3 -5.4 101 101 A W H 3> S+ 0 0 73 -2,-0.3 4,-2.7 1,-0.3 5,-0.5 0.518 103.3 57.6 -7.5 -58.4 -14.1 8.1 -3.4 102 102 A P H 3> S+ 0 0 103 0, 0.0 4,-0.6 0, 0.0 -1,-0.3 0.916 120.3 31.5 -55.8 -40.5 -16.4 9.7 -0.7 103 103 A D H <> S+ 0 0 81 -3,-2.3 4,-1.1 2,-0.2 -2,-0.2 0.791 121.1 51.7 -80.0 -36.7 -17.5 6.3 0.3 104 104 A V H X S+ 0 0 3 -4,-1.3 4,-2.3 2,-0.2 -3,-0.2 0.901 112.6 42.1 -76.3 -44.9 -14.3 4.4 -0.6 105 105 A E H X S+ 0 0 64 -4,-2.7 4,-2.3 2,-0.2 5,-0.3 0.779 110.4 58.7 -73.6 -27.9 -11.9 6.7 1.4 106 106 A Q H X S+ 0 0 136 -4,-0.6 4,-0.8 -5,-0.5 -1,-0.2 0.864 110.4 45.5 -61.3 -34.5 -14.4 6.7 4.2 107 107 A R H X S+ 0 0 78 -4,-1.1 4,-1.1 2,-0.2 -2,-0.2 0.951 118.8 38.4 -68.6 -53.1 -13.9 2.9 4.1 108 108 A F H X>S+ 0 0 0 -4,-2.3 4,-1.9 1,-0.2 5,-1.8 0.904 116.5 48.1 -72.7 -45.6 -10.2 2.8 3.9 109 109 A K H <5S+ 0 0 114 -4,-2.3 -1,-0.2 3,-0.3 -3,-0.2 0.766 103.5 63.5 -67.6 -28.8 -9.4 5.7 6.3 110 110 A A H <5S+ 0 0 73 -4,-0.8 -1,-0.2 -5,-0.3 -2,-0.2 0.879 109.0 40.9 -61.9 -37.4 -11.8 4.3 8.9 111 111 A M H <5S- 0 0 49 -4,-1.1 -35,-0.2 -3,-0.4 -2,-0.2 0.847 131.5 -99.4 -74.1 -36.0 -9.4 1.3 9.0 112 112 A G T <5S+ 0 0 14 -4,-1.9 -24,-0.4 1,-0.3 2,-0.3 0.125 74.6 141.7 139.1 -17.1 -6.5 3.7 8.9 113 113 A F < - 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