==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 11-JUL-13 4LN1 . COMPND 2 MOLECULE: L-LACTATE DEHYDROGENASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS CEREUS; . AUTHOR V.N.MALASHKEVICH,J.B.BONANNO,R.BHOSLE,R.TORO,B.HILLERICH,A.G . 1269 7 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45450.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 961 75.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 118 9.3 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 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 0.6 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 . 1 0.1 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 . 83 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 129 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 485 38.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 16 1.3 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 0 0 3 1 0 5 2 0 13 2 1 7 0 1 3 1 1 2 1 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 12 4 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 . 8 12 2 6 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 ANTIPARALLEL BRIDGES PER LADDER . 4 6 0 0 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 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 -6 A E > 0 0 171 0, 0.0 4,-1.2 0, 0.0 5,-0.0 0.000 360.0 360.0 360.0-118.6 36.4 12.6 55.6 2 -5 A N H > + 0 0 111 2,-0.2 4,-2.3 3,-0.1 5,-0.2 0.849 360.0 55.8 -76.9 -40.1 34.2 9.5 56.3 3 -4 A L H > S+ 0 0 128 2,-0.2 4,-1.2 1,-0.2 -1,-0.1 0.796 111.3 43.7 -66.9 -32.1 31.0 11.4 56.7 4 -3 A Y H > S+ 0 0 44 2,-0.2 4,-2.3 3,-0.1 -1,-0.2 0.898 112.8 52.0 -75.2 -43.7 31.4 13.0 53.2 5 -2 A F H X S+ 0 0 109 -4,-1.2 4,-1.6 1,-0.2 -2,-0.2 0.847 112.3 45.9 -59.6 -37.7 32.5 9.6 51.7 6 -1 A Q H X S+ 0 0 116 -4,-2.3 4,-1.2 2,-0.2 -1,-0.2 0.866 112.2 49.9 -74.8 -36.2 29.4 7.9 53.1 7 0 A S H X S+ 0 0 47 -4,-1.2 4,-2.9 2,-0.2 -2,-0.2 0.817 106.5 57.8 -69.2 -31.9 27.1 10.8 51.9 8 1 A X H < S+ 0 0 29 -4,-2.3 -2,-0.2 2,-0.2 -1,-0.2 0.951 104.1 51.2 -56.1 -52.3 28.7 10.4 48.5 9 2 A K H < S+ 0 0 47 -4,-1.6 3,-0.4 1,-0.2 -2,-0.2 0.775 114.9 42.9 -60.8 -29.5 27.6 6.8 48.4 10 3 A K H < S+ 0 0 143 -4,-1.2 -1,-0.2 1,-0.2 -2,-0.2 0.846 106.1 64.0 -78.4 -37.6 24.1 7.9 49.3 11 4 A G S < S+ 0 0 12 -4,-2.9 2,-0.3 -5,-0.1 -2,-0.2 0.257 97.5 64.7 -76.0 10.8 24.3 10.9 46.8 12 5 A I S S- 0 0 4 -3,-0.4 2,-0.5 -4,-0.2 881,-0.1 -0.889 89.9-104.7-122.5 163.3 24.6 8.6 43.8 13 6 A N - 0 0 7 -2,-0.3 26,-1.7 23,-0.1 25,-1.2 -0.774 34.9-175.4 -89.1 127.3 22.1 6.1 42.3 14 7 A R E -a 39 0A 27 -2,-0.5 68,-2.5 66,-0.3 69,-1.4 -0.989 4.8-170.6-123.7 130.4 22.8 2.4 42.9 15 8 A V E -ab 40 83A 0 24,-2.1 26,-2.6 -2,-0.4 2,-0.5 -0.949 4.9-161.8-115.4 138.0 20.7 -0.5 41.4 16 9 A V E -ab 41 84A 0 67,-1.9 69,-2.1 -2,-0.4 2,-0.5 -0.978 6.7-155.4-121.5 119.8 21.2 -4.1 42.5 17 10 A L E -ab 42 85A 0 24,-3.3 26,-3.7 -2,-0.5 2,-0.7 -0.825 1.3-158.3 -95.4 125.8 19.8 -6.9 40.2 18 11 A V E S+ab 43 86A 3 67,-2.7 69,-3.8 -2,-0.5 70,-1.1 -0.914 72.1 33.4-102.6 113.3 18.9 -10.3 41.7 19 12 A G - 0 0 2 24,-3.3 2,-0.3 -2,-0.7 25,-0.2 0.562 62.6-156.8 104.0 109.5 19.0 -12.8 38.9 20 13 A T + 0 0 1 4,-0.1 2,-0.1 3,-0.1 -1,-0.1 -0.537 48.0 113.9-122.3 70.1 21.3 -12.6 36.0 21 14 A G S > S- 0 0 31 -2,-0.3 4,-2.1 32,-0.0 5,-0.3 -0.211 87.1 -58.2-102.9-160.1 19.8 -14.5 33.3 22 15 A A H > S+ 0 0 53 1,-0.2 4,-1.6 2,-0.2 5,-0.2 0.927 132.9 45.3 -48.1 -52.9 18.5 -13.5 29.9 23 16 A V H > S+ 0 0 47 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.934 116.5 39.8 -64.8 -54.3 15.9 -11.1 31.4 24 17 A G H > S+ 0 0 0 1,-0.2 4,-3.0 2,-0.2 -1,-0.2 0.842 115.3 51.8 -68.2 -34.6 18.0 -9.2 34.0 25 18 A C H X S+ 0 0 0 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.801 107.6 52.7 -73.2 -29.5 21.1 -9.0 31.8 26 19 A S H X S+ 0 0 1 -4,-1.6 4,-2.1 -5,-0.3 -2,-0.2 0.916 111.7 46.6 -65.1 -47.1 19.1 -7.5 29.0 27 20 A Y H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.932 110.2 53.5 -57.4 -49.5 17.8 -4.9 31.5 28 21 A A H X S+ 0 0 0 -4,-3.0 4,-2.3 1,-0.2 -2,-0.2 0.914 106.6 53.4 -48.0 -48.4 21.4 -4.4 32.6 29 22 A Y H X S+ 0 0 0 -4,-2.2 4,-2.9 1,-0.2 -2,-0.2 0.904 108.8 46.4 -61.0 -46.0 22.4 -3.8 29.0 30 23 A C H X S+ 0 0 0 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.906 111.4 54.1 -55.6 -45.4 19.7 -1.0 28.5 31 24 A X H <>S+ 0 0 2 -4,-2.5 5,-1.3 2,-0.2 4,-0.5 0.853 111.8 44.1 -60.5 -37.3 20.9 0.5 31.8 32 25 A I H ><5S+ 0 0 1 -4,-2.3 3,-0.8 -5,-0.2 34,-0.3 0.929 112.9 50.5 -75.6 -41.4 24.5 0.6 30.5 33 26 A N H 3<5S+ 0 0 3 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.809 117.6 41.3 -59.3 -31.5 23.5 1.9 27.1 34 27 A Q T 3<5S- 0 0 35 -4,-2.1 -1,-0.2 -5,-0.2 -2,-0.2 0.426 97.6-133.5-104.2 -0.4 21.5 4.7 28.8 35 28 A A T < 5 + 0 0 36 -3,-0.8 -3,-0.2 -4,-0.5 -4,-0.1 0.916 52.6 146.9 45.7 57.0 23.8 5.7 31.6 36 29 A V < + 0 0 10 -5,-1.3 2,-0.3 1,-0.1 -4,-0.1 0.785 57.0 37.7 -92.8 -32.5 20.9 5.7 34.2 37 30 A A - 0 0 2 -6,-0.4 -23,-0.1 1,-0.1 -1,-0.1 -0.925 61.1-146.8-121.2 147.7 22.7 4.5 37.3 38 31 A E S S+ 0 0 15 -25,-1.2 31,-2.8 -2,-0.3 2,-0.4 0.801 92.8 33.4 -73.5 -31.8 26.2 5.3 38.6 39 32 A E E -ac 14 69A 6 -26,-1.7 -24,-2.1 29,-0.2 2,-0.4 -0.977 62.9-175.9-131.1 137.5 26.4 1.8 40.1 40 33 A F E -ac 15 70A 0 29,-2.8 31,-1.8 -2,-0.4 2,-0.5 -0.909 7.5-168.8-141.5 110.8 25.0 -1.6 39.0 41 34 A V E -ac 16 71A 0 -26,-2.6 -24,-3.3 -2,-0.4 2,-0.5 -0.847 8.9-151.6-107.4 131.9 25.4 -4.7 41.0 42 35 A L E -ac 17 72A 0 29,-1.8 31,-2.3 -2,-0.5 2,-0.4 -0.890 14.5-175.5-104.6 124.6 24.6 -8.2 39.7 43 36 A V E +a 18 0A 7 -26,-3.7 -24,-3.3 -2,-0.5 2,-0.3 -0.961 13.5 151.4-119.3 138.8 23.5 -10.8 42.3 44 37 A D - 0 0 41 -2,-0.4 6,-0.2 29,-0.3 -2,-0.0 -0.912 52.2-127.3-167.8 141.7 22.8 -14.5 41.5 45 38 A V S S+ 0 0 139 -2,-0.3 2,-1.7 1,-0.2 3,-0.1 0.838 106.6 71.3 -50.0 -41.4 22.9 -18.0 43.0 46 39 A N S >> S- 0 0 95 1,-0.2 4,-1.8 -3,-0.1 3,-0.6 -0.631 73.1-177.3 -80.7 82.5 25.1 -18.9 40.0 47 40 A E H 3> S+ 0 0 117 -2,-1.7 4,-1.4 1,-0.3 -1,-0.2 0.780 76.6 51.2 -62.9 -32.3 28.0 -17.0 41.4 48 41 A A H 3> S+ 0 0 41 2,-0.2 4,-2.1 1,-0.2 -1,-0.3 0.856 106.6 55.4 -67.7 -37.9 30.3 -17.7 38.4 49 42 A K H <> S+ 0 0 45 -3,-0.6 4,-2.4 1,-0.2 5,-0.2 0.909 105.9 50.7 -65.4 -41.9 27.6 -16.5 36.0 50 43 A A H X S+ 0 0 0 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.878 108.9 52.5 -61.9 -39.5 27.3 -13.2 37.7 51 44 A E H X S+ 0 0 75 -4,-1.4 4,-1.9 2,-0.2 -2,-0.2 0.915 112.1 45.6 -60.5 -46.2 31.1 -12.7 37.5 52 45 A G H X S+ 0 0 0 -4,-2.1 4,-3.1 502,-0.3 -2,-0.2 0.872 113.7 47.2 -66.4 -43.4 31.1 -13.4 33.7 53 46 A E H X S+ 0 0 2 -4,-2.4 4,-3.5 2,-0.2 5,-0.3 0.904 111.3 51.1 -65.4 -43.4 28.1 -11.2 33.0 54 47 A A H X S+ 0 0 6 -4,-2.4 4,-2.3 -5,-0.2 -2,-0.2 0.892 113.6 46.8 -62.0 -37.6 29.6 -8.3 35.1 55 48 A X H X S+ 0 0 58 -4,-1.9 4,-1.6 -5,-0.2 -2,-0.2 0.986 116.6 41.9 -63.3 -58.8 32.8 -8.8 33.1 56 49 A D H < S+ 0 0 0 -4,-3.1 505,-0.4 1,-0.2 4,-0.4 0.873 118.1 46.8 -58.0 -43.2 31.1 -8.9 29.7 57 50 A L H >X S+ 0 0 0 -4,-3.5 3,-1.4 1,-0.2 4,-0.5 0.900 108.2 55.1 -68.0 -41.3 28.7 -6.1 30.6 58 51 A S H >< S+ 0 0 1 -4,-2.3 3,-1.3 -5,-0.3 -1,-0.2 0.830 98.0 65.1 -59.2 -33.5 31.5 -3.8 32.0 59 52 A H T 3< S+ 0 0 2 -4,-1.6 4,-0.3 1,-0.3 -1,-0.3 0.689 96.5 55.1 -67.2 -19.1 33.4 -4.2 28.7 60 53 A A T X4 S+ 0 0 1 -3,-1.4 3,-0.8 -4,-0.4 4,-0.4 0.694 89.6 82.8 -80.5 -20.6 30.7 -2.3 26.9 61 54 A V G X< S+ 0 0 3 -3,-1.3 3,-1.3 -4,-0.5 -2,-0.2 0.838 81.9 55.3 -56.7 -47.5 31.0 0.6 29.4 62 55 A P G 3 S+ 0 0 6 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.802 114.0 43.3 -58.1 -30.8 34.0 2.5 27.7 63 56 A F G < S+ 0 0 15 -3,-0.8 -2,-0.2 -4,-0.3 -3,-0.1 0.377 92.2 100.4 -95.6 1.4 32.1 2.7 24.4 64 57 A A S < S- 0 0 4 -3,-1.3 -31,-0.1 -4,-0.4 -30,-0.1 -0.450 89.3-113.5 -74.5 160.1 28.8 3.6 26.2 65 58 A P S S+ 0 0 78 0, 0.0 -1,-0.1 0, 0.0 -32,-0.1 0.767 99.6 14.0 -71.1 -22.7 28.2 7.4 25.9 66 59 A A S S- 0 0 28 -34,-0.3 -31,-0.2 -5,-0.1 2,-0.1 -0.962 92.8 -98.9-146.2 153.7 28.6 7.8 29.7 67 60 A P - 0 0 32 0, 0.0 2,-0.3 0, 0.0 425,-0.0 -0.320 26.4-175.6 -80.5 156.5 30.1 5.4 32.3 68 61 A T - 0 0 11 -10,-0.1 2,-0.6 -2,-0.1 -29,-0.2 -0.959 28.1-126.7-136.4 139.1 28.4 3.1 34.9 69 62 A R E -c 39 0A 73 -31,-2.8 -29,-2.8 -2,-0.3 2,-0.5 -0.827 34.6-175.8 -83.4 118.3 30.3 1.0 37.5 70 63 A V E +c 40 0A 5 -2,-0.6 2,-0.3 -31,-0.2 -29,-0.2 -0.965 11.8 150.6-123.7 122.0 29.2 -2.6 37.0 71 64 A W E -c 41 0A 78 -31,-1.8 -29,-1.8 -2,-0.5 2,-0.3 -0.999 48.1-106.7-148.8 149.5 30.3 -5.5 39.3 72 65 A K E +c 42 0A 61 -2,-0.3 -29,-0.2 -31,-0.2 2,-0.1 -0.625 57.1 149.8 -68.2 130.4 29.2 -8.9 40.6 73 66 A G - 0 0 16 -31,-2.3 -29,-0.3 -2,-0.3 2,-0.2 -0.447 35.6-107.1-137.4-148.2 28.3 -8.4 44.3 74 67 A S > - 0 0 52 -2,-0.1 3,-0.7 -31,-0.1 4,-0.1 -0.763 43.0 -84.2-141.7-174.4 26.0 -9.7 47.1 75 68 A Y G > S+ 0 0 66 1,-0.2 3,-2.1 -2,-0.2 4,-0.2 0.784 118.0 73.0 -68.7 -25.4 22.9 -8.7 49.1 76 69 A E G > S+ 0 0 153 1,-0.3 3,-1.6 2,-0.2 -1,-0.2 0.838 86.1 64.1 -55.4 -37.7 25.2 -6.8 51.5 77 70 A D G < S+ 0 0 41 -3,-0.7 3,-0.4 1,-0.3 -1,-0.3 0.453 83.0 79.3 -67.2 -2.9 25.6 -4.2 48.7 78 71 A C G X + 0 0 0 -3,-2.1 3,-0.8 1,-0.2 41,-0.4 0.593 66.1 93.2 -78.4 -13.1 21.8 -3.4 49.0 79 72 A K T < S+ 0 0 125 -3,-1.6 40,-0.3 1,-0.3 -1,-0.2 0.896 102.0 20.7 -48.2 -52.9 22.6 -1.3 52.1 80 73 A D T 3 S+ 0 0 45 -3,-0.4 -1,-0.3 38,-0.1 -66,-0.3 0.318 96.8 133.6 -97.4 3.6 22.8 2.0 50.1 81 74 A A < - 0 0 6 -3,-0.8 38,-0.5 -4,-0.1 -66,-0.2 -0.274 43.2-161.3 -58.3 138.7 20.8 0.7 47.1 82 75 A D S S+ 0 0 13 -68,-2.5 39,-2.4 1,-0.3 2,-0.3 0.765 78.4 13.1 -83.5 -32.9 18.1 2.9 45.7 83 76 A L E -bd 15 121A 0 -69,-1.4 -67,-1.9 37,-0.2 2,-0.5 -0.995 59.5-157.0-148.1 133.8 16.4 0.1 43.9 84 77 A V E -bd 16 122A 0 37,-2.2 39,-2.9 -2,-0.3 2,-0.5 -0.985 12.6-163.5-107.3 130.1 16.5 -3.6 43.9 85 78 A V E -bd 17 123A 0 -69,-2.1 -67,-2.7 -2,-0.5 2,-0.5 -0.971 7.5-159.6-111.0 123.9 15.3 -5.3 40.7 86 79 A I E +bd 18 124A 0 37,-2.4 39,-2.1 -2,-0.5 40,-0.9 -0.915 30.1 150.9-112.9 128.3 14.5 -9.0 41.1 87 80 A T + 0 0 22 -69,-3.8 -68,-0.2 -2,-0.5 40,-0.2 0.441 35.0 120.1-129.9 -8.7 14.4 -11.5 38.1 88 81 A A + 0 0 28 -70,-1.1 2,-0.3 38,-0.1 38,-0.1 -0.262 39.4 123.6 -61.3 147.2 15.4 -14.8 39.7 89 82 A G - 0 0 34 37,-0.0 -2,-0.0 16,-0.0 13,-0.0 -0.979 57.3 -93.8 168.1 170.4 12.8 -17.5 39.4 90 83 A L - 0 0 71 -2,-0.3 12,-0.1 37,-0.3 11,-0.1 -0.966 43.2-117.4-122.2 121.1 11.7 -20.9 38.3 91 84 A P 0 0 108 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.160 360.0 360.0 -48.7 162.0 10.0 -21.5 34.9 92 85 A Q 0 0 149 5,-0.0 3,-0.1 6,-0.0 35,-0.0 -0.737 360.0 360.0 -74.2 360.0 6.5 -22.8 34.3 93 ! 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 94 90 A T > 0 0 108 0, 0.0 4,-1.9 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 178.6 -0.0 -26.0 37.5 95 91 A R H > + 0 0 68 1,-0.2 4,-2.5 2,-0.2 5,-0.1 0.893 360.0 61.7 -70.7 -31.3 0.0 -22.3 38.3 96 92 A L H > S+ 0 0 71 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.856 104.4 44.9 -62.9 -45.1 -0.3 -23.2 41.9 97 93 A D H > S+ 0 0 81 2,-0.2 4,-2.2 1,-0.2 5,-0.3 0.902 109.5 56.9 -62.2 -47.4 3.0 -25.1 42.1 98 94 A L H X S+ 0 0 4 -4,-1.9 4,-1.2 1,-0.2 -2,-0.2 0.947 110.0 47.6 -44.0 -51.0 4.6 -22.2 40.1 99 95 A V H X S+ 0 0 3 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.873 110.5 47.5 -63.8 -46.1 3.4 -19.9 42.9 100 96 A E H X S+ 0 0 93 -4,-1.9 4,-2.3 1,-0.2 -1,-0.2 0.908 110.1 52.6 -64.6 -43.8 4.6 -22.0 46.0 101 97 A K H X S+ 0 0 91 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.804 117.5 37.8 -60.2 -34.1 8.1 -22.6 44.6 102 98 A N H X S+ 0 0 0 -4,-1.2 4,-4.3 -5,-0.3 5,-0.2 0.830 110.4 56.5 -94.1 -35.1 8.7 -18.9 44.0 103 99 A A H X S+ 0 0 3 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.928 110.6 48.7 -57.2 -46.0 6.9 -17.5 47.1 104 100 A K H X S+ 0 0 163 -4,-2.3 4,-1.7 -5,-0.2 -2,-0.2 0.986 116.5 41.9 -53.1 -63.4 9.3 -19.8 49.1 105 101 A I H X S+ 0 0 57 -4,-1.6 4,-2.5 1,-0.2 3,-0.4 0.928 115.1 51.1 -45.2 -56.0 12.3 -18.4 47.0 106 102 A F H X S+ 0 0 0 -4,-4.3 4,-3.1 1,-0.2 5,-0.2 0.875 105.3 55.1 -57.6 -42.3 11.0 -14.8 47.1 107 103 A K H X S+ 0 0 87 -4,-2.7 4,-2.1 1,-0.2 -1,-0.2 0.883 111.2 44.8 -58.5 -42.1 10.5 -14.8 50.9 108 104 A Q H X S+ 0 0 144 -4,-1.7 4,-2.5 -3,-0.4 -2,-0.2 0.909 113.8 50.8 -66.7 -44.3 14.2 -15.9 51.4 109 105 A I H X S+ 0 0 11 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.951 113.1 44.1 -56.3 -52.7 15.4 -13.3 48.8 110 106 A V H X S+ 0 0 0 -4,-3.1 4,-3.2 2,-0.2 5,-0.2 0.911 112.6 51.5 -64.2 -46.5 13.4 -10.4 50.4 111 107 A R H X S+ 0 0 103 -4,-2.1 4,-2.0 -5,-0.2 -1,-0.2 0.936 111.6 48.0 -52.8 -52.9 14.5 -11.4 54.0 112 108 A S H X S+ 0 0 37 -4,-2.5 4,-1.0 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4,-3.2 26,-0.2 5,-0.3 0.202 95.7 122.5 -99.9 12.4 1.7 -5.4 32.1 153 149 A T H <> S+ 0 0 1 -3,-1.9 4,-1.7 107,-0.7 -1,-0.2 0.840 80.8 42.2 -44.2 -43.4 4.1 -2.5 31.1 154 150 A L H > S+ 0 0 5 -4,-0.3 4,-3.6 -3,-0.3 5,-0.3 0.916 110.8 53.6 -77.1 -42.6 5.5 -4.6 28.2 155 151 A D H > S+ 0 0 6 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.945 111.2 49.9 -46.9 -49.5 2.1 -5.9 27.1 156 152 A S H X S+ 0 0 1 -4,-3.2 4,-2.4 22,-0.2 -2,-0.2 0.892 110.1 48.6 -58.4 -42.6 1.2 -2.3 27.0 157 153 A A H X S+ 0 0 0 -4,-1.7 4,-2.5 -5,-0.3 -2,-0.2 0.937 111.5 48.9 -64.9 -44.7 4.3 -1.5 24.9 158 154 A R H X S+ 0 0 10 -4,-3.6 4,-2.9 2,-0.2 5,-0.2 0.877 109.9 54.5 -57.9 -39.3 3.5 -4.4 22.5 159 155 A F H X S+ 0 0 0 -4,-2.6 4,-2.7 -5,-0.3 5,-0.2 0.945 109.6 45.0 -61.0 -51.9 -0.0 -3.0 22.3 160 156 A R H X S+ 0 0 31 -4,-2.4 4,-2.4 16,-0.2 -2,-0.2 0.896 113.9 50.5 -58.8 -43.9 1.2 0.5 21.3 161 157 A Y H X S+ 0 0 30 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.966 112.7 44.6 -59.3 -52.1 3.6 -1.0 18.8 162 158 A X H X S+ 0 0 30 -4,-2.9 4,-1.4 1,-0.3 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-17,-0.1 2,-0.4 -0.900 35.6-171.2 -97.9 126.7 -7.0 4.2 23.3 194 190 A S E -JK 175 199B 16 -19,-2.9 -19,-3.0 -2,-0.5 2,-0.7 -0.971 19.4-155.8-119.7 139.5 -5.8 7.3 21.5 195 191 A V E > S-JK 174 198B 3 3,-2.7 3,-1.8 -2,-0.4 -21,-0.2 -0.898 74.6 -55.9-108.1 96.9 -4.1 7.5 18.2 196 192 A G T 3 S- 0 0 2 -23,-2.2 -21,-0.1 -2,-0.7 936,-0.0 -0.495 121.3 -20.7 59.8-133.9 -2.2 10.8 18.5 197 193 A I T 3 S+ 0 0 5 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.1 0.731 121.5 100.8 -67.8 -23.3 -4.9 13.4 19.4 198 194 A Q E < S-K 195 0B 28 -3,-1.8 -3,-2.7 1,-0.1 2,-0.4 -0.376 70.2-129.1 -79.0 142.0 -7.6 11.1 17.9 199 195 A K E > -K 194 0B 68 -5,-0.2 4,-2.0 -2,-0.1 3,-0.3 -0.690 10.4-138.5 -87.3 134.6 -10.0 8.9 19.9 200 196 A L H > S+ 0 0 2 -7,-2.2 4,-2.5 -2,-0.4 5,-0.2 0.884 101.5 55.1 -59.3 -41.4 -10.3 5.2 18.9 201 197 A Q H > S+ 0 0 78 -8,-0.3 4,-1.2 1,-0.2 -1,-0.2 0.878 110.0 44.9 -61.7 -40.5 -14.1 5.1 19.3 202 198 A T H > S+ 0 0 47 -3,-0.3 4,-2.7 2,-0.2 -1,-0.2 0.853 111.4 54.0 -71.2 -36.6 -14.6 8.1 17.0 203 199 A L H 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