==== 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 OXIDOREDUCTASE 02-AUG-08 3E18 . COMPND 2 MOLECULE: OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LISTERIA INNOCUA; . AUTHOR Y.PATSKOVSKY,U.A.RAMAGOPAL,R.TORO,M.RUTTER,S.HU,C.GROSHONG, . 685 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 28978.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 474 69.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 66 9.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 91 13.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 2 0.3 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 . 41 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 172 25.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 18 2.6 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 2 0 2 0 1 3 2 4 2 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 6 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 PARALLEL BRIDGES PER LADDER . 1 1 1 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 2 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 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 L 0 0 191 0, 0.0 2,-1.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 106.6 28.7 30.9 6.6 2 2 A K + 0 0 168 26,-0.0 2,-0.4 2,-0.0 25,-0.0 -0.407 360.0 164.2 -99.2 56.6 31.1 33.2 8.4 3 3 A K - 0 0 64 -2,-1.0 25,-0.2 25,-0.1 2,-0.2 -0.611 33.4-132.5 -85.2 124.9 29.1 36.3 9.4 4 4 A Y E -a 28 0A 40 23,-2.0 25,-2.6 -2,-0.4 2,-0.6 -0.523 20.9-134.0 -68.2 136.9 30.4 38.7 12.0 5 5 A Q E -a 29 0A 27 58,-0.3 60,-2.4 -2,-0.2 61,-2.0 -0.863 21.9-168.6-101.8 120.4 27.8 39.7 14.5 6 6 A L E -ab 30 66A 0 23,-2.8 25,-2.6 -2,-0.6 26,-1.0 -0.889 8.4-153.3-108.6 134.1 27.6 43.4 15.3 7 7 A V E -ab 32 67A 0 59,-2.2 61,-3.0 -2,-0.4 2,-0.6 -0.933 15.4-134.4-106.4 132.5 25.6 44.9 18.2 8 8 A I E -ab 33 68A 0 24,-2.7 26,-3.2 -2,-0.5 2,-0.6 -0.752 17.9-166.4 -82.8 119.8 24.3 48.5 17.9 9 9 A V E S+ab 34 69A 4 59,-3.1 61,-3.1 -2,-0.6 26,-0.2 -0.925 70.0 30.6-111.2 107.5 25.0 50.5 21.1 10 10 A G - 0 0 6 24,-2.8 2,-1.0 -2,-0.6 -1,-0.2 0.606 68.0-155.5 105.7 90.7 22.9 53.7 21.1 11 11 A Y + 0 0 18 4,-0.2 24,-0.1 -3,-0.1 2,-0.1 -0.428 52.8 114.1 -96.9 60.6 19.7 53.4 19.2 12 12 A G S > S- 0 0 22 -2,-1.0 4,-2.5 58,-0.4 5,-0.3 -0.062 86.3 -50.5-103.5-150.6 19.2 57.0 18.3 13 13 A G H > S+ 0 0 69 1,-0.2 4,-0.9 2,-0.2 -2,-0.0 0.926 138.7 27.6 -51.5 -55.5 19.2 58.8 14.9 14 14 A M H > S+ 0 0 62 2,-0.2 4,-1.8 56,-0.2 -1,-0.2 0.861 118.0 58.1 -80.6 -37.9 22.5 57.4 13.6 15 15 A G H > S+ 0 0 0 55,-0.4 4,-0.6 1,-0.2 -2,-0.2 0.900 106.7 48.8 -58.6 -43.6 22.4 54.2 15.6 16 16 A S H >X S+ 0 0 43 -4,-2.5 4,-0.7 1,-0.2 3,-0.6 0.844 110.5 52.4 -64.7 -32.0 19.1 53.2 14.0 17 17 A Y H 3X S+ 0 0 121 -4,-0.9 4,-2.0 -5,-0.3 3,-0.3 0.793 97.0 66.4 -74.3 -27.6 20.6 54.1 10.6 18 18 A H H 3X S+ 0 0 0 -4,-1.8 4,-3.0 1,-0.2 5,-0.3 0.729 89.2 67.0 -66.3 -22.4 23.6 51.8 11.2 19 19 A V H < S+ 0 0 46 -4,-2.0 3,-0.6 2,-0.2 4,-0.3 0.931 113.2 43.2 -66.1 -50.8 24.4 50.4 6.8 22 22 A A H >< S+ 0 0 0 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.865 109.7 58.3 -66.4 -36.4 25.9 47.3 8.5 23 23 A S H 3< S+ 0 0 69 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.743 97.1 62.5 -62.7 -26.7 23.3 45.0 6.9 24 24 A A T << S+ 0 0 81 -4,-0.9 -1,-0.2 -3,-0.6 -2,-0.2 0.598 85.4 96.6 -76.1 -12.9 24.4 46.1 3.4 25 25 A A S X S- 0 0 7 -3,-1.3 3,-0.5 -4,-0.3 282,-0.0 -0.416 81.5-120.8 -76.8 157.5 27.9 44.7 4.0 26 26 A D T 3 S+ 0 0 110 1,-0.2 2,-0.2 -2,-0.1 -1,-0.1 0.966 98.4 17.7 -65.8 -59.4 28.7 41.2 2.7 27 27 A N T 3 S+ 0 0 70 -24,-0.1 -23,-2.0 280,-0.1 2,-0.3 -0.420 107.0 83.4-118.7 57.1 29.7 39.2 5.8 28 28 A L E < -a 4 0A 2 -3,-0.5 2,-0.3 -25,-0.2 -23,-0.2 -0.970 48.2-178.9-154.2 134.4 28.4 41.2 8.7 29 29 A E E -a 5 0A 83 -25,-2.6 -23,-2.8 -2,-0.3 2,-0.8 -0.935 35.9-103.7-135.0 164.3 24.9 41.3 10.3 30 30 A V E -a 6 0A 19 -2,-0.3 20,-0.2 -25,-0.2 -23,-0.2 -0.789 30.3-176.9 -86.8 111.3 23.2 43.2 13.1 31 31 A H E - 0 0 40 -25,-2.6 2,-0.3 -2,-0.8 19,-0.3 0.790 58.2 -60.0 -76.4 -30.7 22.9 40.7 16.0 32 32 A G E -a 7 0A 1 -26,-1.0 -24,-2.7 17,-0.1 2,-0.4 -0.992 49.9 -88.8 168.4-169.2 21.0 43.2 18.1 33 33 A V E -ac 8 51A 0 17,-2.6 19,-2.3 -2,-0.3 2,-0.4 -0.980 15.9-170.9-138.7 136.1 20.6 46.5 20.0 34 34 A F E +a 9 0A 24 -26,-3.2 -24,-2.8 -2,-0.4 2,-0.3 -1.000 12.5 167.4-122.6 137.7 21.3 48.1 23.3 35 35 A D - 0 0 15 17,-0.4 6,-0.1 -2,-0.4 -2,-0.0 -0.984 38.1-131.9-137.2 150.2 20.2 51.5 24.4 36 36 A I S S+ 0 0 142 -2,-0.3 2,-0.4 4,-0.1 -1,-0.1 0.796 91.1 74.3 -70.5 -26.9 20.2 53.0 27.9 37 37 A L S > S- 0 0 84 1,-0.1 4,-1.5 -3,-0.0 3,-0.3 -0.737 73.2-146.7 -90.1 132.8 16.6 54.1 27.6 38 38 A A H > S+ 0 0 48 -2,-0.4 4,-2.4 1,-0.2 5,-0.2 0.829 100.6 62.1 -62.2 -34.3 13.8 51.5 27.8 39 39 A E H > S+ 0 0 124 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.884 106.7 43.3 -54.3 -45.9 11.9 53.6 25.2 40 40 A K H > S+ 0 0 55 -3,-0.3 4,-1.4 2,-0.2 -1,-0.2 0.797 110.7 54.5 -76.9 -28.5 14.6 53.2 22.7 41 41 A R H X S+ 0 0 41 -4,-1.5 4,-2.0 2,-0.2 -2,-0.2 0.894 109.5 48.3 -68.0 -40.8 15.0 49.4 23.4 42 42 A E H X S+ 0 0 118 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.906 108.6 54.6 -61.7 -45.3 11.2 49.0 22.8 43 43 A A H < S+ 0 0 44 -4,-1.9 -1,-0.2 1,-0.2 -2,-0.2 0.824 109.6 46.6 -58.9 -36.2 11.5 51.0 19.6 44 44 A A H ><>S+ 0 0 0 -4,-1.4 5,-1.7 2,-0.2 3,-1.5 0.872 109.8 53.2 -73.8 -39.3 14.3 48.6 18.4 45 45 A A H ><5S+ 0 0 43 -4,-2.0 3,-2.0 1,-0.3 -2,-0.2 0.893 103.0 58.9 -60.8 -39.9 12.2 45.5 19.4 46 46 A Q T 3<5S+ 0 0 166 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.363 100.0 57.1 -74.4 4.8 9.3 46.9 17.3 47 47 A K T < 5S- 0 0 153 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.106 125.5-104.3-111.2 16.3 11.6 46.8 14.3 48 48 A G T < 5S+ 0 0 74 -3,-2.0 2,-0.3 1,-0.2 -3,-0.2 0.744 75.2 141.7 72.5 25.9 12.1 43.1 14.9 49 49 A L < - 0 0 34 -5,-1.7 -1,-0.2 1,-0.0 2,-0.1 -0.782 57.2-109.4-102.3 141.8 15.6 43.5 16.4 50 50 A K - 0 0 102 -2,-0.3 -17,-2.6 -19,-0.3 2,-0.4 -0.465 37.7-153.9 -64.0 135.2 17.1 41.5 19.3 51 51 A I B -c 33 0A 47 -19,-0.2 2,-0.3 -2,-0.1 -17,-0.2 -0.940 6.6-147.5-119.4 141.0 17.5 43.7 22.4 52 52 A Y - 0 0 12 -19,-2.3 -17,-0.4 -2,-0.4 3,-0.1 -0.792 10.8-143.6-101.0 147.0 19.9 43.4 25.3 53 53 A E S S+ 0 0 138 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.697 82.4 13.9 -81.6 -21.5 18.9 44.5 28.8 54 54 A S > - 0 0 38 1,-0.1 4,-1.2 -20,-0.0 -1,-0.1 -0.983 66.8-122.6-150.1 158.2 22.4 45.8 29.7 55 55 A Y H > S+ 0 0 27 -2,-0.3 4,-2.2 1,-0.2 3,-0.4 0.895 116.2 60.3 -68.3 -37.9 25.7 46.8 28.0 56 56 A E H > S+ 0 0 158 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.861 102.4 52.7 -50.4 -40.8 27.3 44.2 30.3 57 57 A A H > S+ 0 0 37 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.818 106.5 51.7 -70.6 -33.3 25.1 41.6 28.7 58 58 A V H >< S+ 0 0 0 -4,-1.2 3,-0.7 -3,-0.4 6,-0.2 0.933 112.8 45.7 -62.2 -47.1 26.2 42.5 25.2 59 59 A L H 3< S+ 0 0 28 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.739 109.9 53.3 -74.9 -24.2 29.8 42.2 26.3 60 60 A A H 3< S+ 0 0 82 -4,-1.5 2,-0.6 -5,-0.2 -1,-0.2 0.639 85.5 104.4 -79.5 -17.3 29.3 38.9 28.0 61 61 A D X< - 0 0 32 -4,-0.7 3,-1.4 -3,-0.7 -4,-0.0 -0.577 56.4-162.7 -73.7 112.6 27.7 37.4 24.9 62 62 A E T 3 S+ 0 0 187 -2,-0.6 -1,-0.2 1,-0.3 -4,-0.0 0.694 88.2 65.6 -65.0 -22.5 30.1 35.1 23.1 63 63 A K T 3 S+ 0 0 139 -59,-0.0 2,-0.4 2,-0.0 -58,-0.3 0.674 84.0 90.9 -72.4 -19.3 28.1 35.3 19.9 64 64 A V < + 0 0 3 -3,-1.4 -58,-0.2 -6,-0.2 3,-0.1 -0.659 44.8 172.5 -83.8 128.5 29.0 39.0 19.6 65 65 A D + 0 0 52 -60,-2.4 24,-2.2 -2,-0.4 2,-0.3 0.710 64.5 8.8-101.2 -29.3 32.1 39.9 17.5 66 66 A A E -bd 6 89A 0 -61,-2.0 -59,-2.2 22,-0.3 2,-0.4 -0.979 58.5-141.5-152.6 153.4 31.8 43.7 17.4 67 67 A V E -bd 7 90A 0 22,-2.4 24,-2.9 -2,-0.3 2,-0.6 -0.960 8.3-147.0-121.3 145.8 30.0 46.7 18.7 68 68 A L E -bd 8 91A 0 -61,-3.0 -59,-3.1 -2,-0.4 2,-0.7 -0.961 16.2-151.8-104.0 122.1 28.9 49.9 17.0 69 69 A I E +bd 9 92A 0 22,-3.4 24,-2.5 -2,-0.6 -59,-0.2 -0.839 30.7 155.1 -99.2 108.9 29.0 52.9 19.3 70 70 A A + 0 0 16 -61,-3.1 -58,-0.4 -2,-0.7 -55,-0.4 -0.304 33.0 120.0-126.9 49.0 26.5 55.6 18.4 71 71 A T S S- 0 0 24 1,-0.2 5,-0.1 -57,-0.1 22,-0.1 -0.536 76.1 -65.7 -99.8 168.9 26.0 57.3 21.7 72 72 A P > - 0 0 42 0, 0.0 3,-1.6 0, 0.0 4,-0.4 -0.172 59.1-100.8 -53.3 157.2 26.6 61.0 22.6 73 73 A N G > S+ 0 0 10 94,-0.8 3,-0.9 1,-0.3 4,-0.4 0.717 114.1 61.6 -61.5 -30.2 30.3 62.0 22.4 74 74 A D G 3 S+ 0 0 69 93,-0.3 4,-0.3 1,-0.2 -1,-0.3 0.708 104.3 49.8 -71.8 -20.6 31.2 62.0 26.1 75 75 A S G <> S+ 0 0 35 -3,-1.6 4,-1.7 1,-0.1 -1,-0.2 0.505 84.7 90.3 -94.0 -5.0 30.4 58.3 26.5 76 76 A H H <> S+ 0 0 0 -3,-0.9 4,-2.2 -4,-0.4 5,-0.2 0.886 83.8 50.9 -62.1 -44.0 32.4 57.0 23.5 77 77 A K H > S+ 0 0 69 -4,-0.4 4,-2.6 2,-0.2 5,-0.2 0.917 111.5 44.6 -65.0 -47.5 35.7 56.3 25.3 78 78 A E H > S+ 0 0 147 -4,-0.3 4,-2.5 1,-0.2 -1,-0.2 0.910 115.8 47.1 -65.0 -45.4 34.3 54.3 28.2 79 79 A L H X S+ 0 0 27 -4,-1.7 4,-1.9 2,-0.2 -1,-0.2 0.860 114.0 48.5 -64.7 -38.2 32.1 52.1 26.0 80 80 A A H X S+ 0 0 0 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.936 112.4 46.0 -67.3 -49.3 34.9 51.5 23.5 81 81 A I H X S+ 0 0 40 -4,-2.6 4,-2.7 1,-0.2 5,-0.2 0.933 113.2 51.8 -62.7 -42.3 37.5 50.5 26.1 82 82 A S H X S+ 0 0 46 -4,-2.5 4,-1.6 -5,-0.2 -1,-0.2 0.892 111.3 46.4 -55.6 -44.9 34.9 48.3 27.8 83 83 A A H <>S+ 0 0 0 -4,-1.9 5,-2.4 2,-0.2 4,-0.3 0.935 112.3 50.3 -67.6 -44.5 34.1 46.5 24.5 84 84 A L H ><5S+ 0 0 0 -4,-2.7 3,-2.6 1,-0.2 -2,-0.2 0.959 109.6 50.0 -55.6 -54.4 37.8 46.1 23.7 85 85 A E H 3<5S+ 0 0 124 -4,-2.7 -1,-0.2 1,-0.3 -2,-0.2 0.813 107.1 56.4 -53.5 -36.7 38.6 44.6 27.1 86 86 A A T 3<5S- 0 0 42 -4,-1.6 -1,-0.3 -5,-0.2 -2,-0.2 0.474 125.7-103.4 -73.4 -3.3 35.6 42.2 26.6 87 87 A G T < 5S+ 0 0 28 -3,-2.6 2,-0.4 -4,-0.3 -3,-0.2 0.753 77.0 134.8 86.6 26.9 37.2 41.0 23.3 88 88 A K < - 0 0 14 -5,-2.4 -1,-0.3 -4,-0.1 -22,-0.3 -0.900 53.9-127.9-110.1 136.3 35.0 42.9 20.9 89 89 A H E -d 66 0A 22 -24,-2.2 -22,-2.4 -2,-0.4 2,-0.4 -0.399 32.9-138.7 -68.4 157.8 36.0 44.9 17.9 90 90 A V E -de 67 117A 0 26,-3.0 28,-2.4 -24,-0.2 2,-0.5 -0.982 24.7-171.5-134.4 129.2 34.7 48.4 17.8 91 91 A V E -de 68 118A 0 -24,-2.9 -22,-3.4 -2,-0.4 2,-0.5 -0.988 23.6-168.1-107.4 127.2 33.2 50.8 15.3 92 92 A C E -de 69 119A 0 26,-2.4 28,-2.5 -2,-0.5 -22,-0.1 -0.961 17.7-122.2-120.6 130.2 32.8 54.2 16.9 93 93 A E E - e 0 120A 14 -24,-2.5 28,-0.1 -2,-0.5 -22,-0.1 -0.259 51.8 -58.6 -59.7 150.4 30.9 57.2 15.5 94 94 A K S S+ 0 0 25 26,-0.5 -1,-0.1 2,-0.1 2,-0.1 -0.380 119.6 38.8 -67.7 149.7 32.6 60.6 14.9 95 95 A P S S- 0 0 1 0, 0.0 -19,-0.1 0, 0.0 -2,-0.1 0.802 79.0-161.9 -70.8 140.4 34.1 62.5 16.8 96 96 A V - 0 0 1 1,-0.1 2,-0.3 -2,-0.1 -3,-0.1 0.933 68.4 -2.8 -65.3 -41.8 35.6 59.3 18.3 97 97 A T - 0 0 2 -21,-0.1 -1,-0.1 -20,-0.1 -23,-0.1 -0.903 65.1-120.2-140.4 167.7 36.7 61.1 21.5 98 98 A M S S+ 0 0 74 -2,-0.3 2,-0.3 -25,-0.2 -24,-0.1 0.595 97.6 37.1 -88.5 -11.7 36.7 64.6 22.9 99 99 A T S > S- 0 0 52 1,-0.1 4,-1.0 234,-0.0 232,-0.1 -0.972 75.2-128.6-134.5 158.1 40.5 64.7 23.3 100 100 A S H > S+ 0 0 5 -2,-0.3 4,-1.7 230,-0.2 3,-0.4 0.877 110.4 57.6 -70.0 -35.2 43.4 63.4 21.3 101 101 A E H > S+ 0 0 122 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.878 99.9 59.1 -61.9 -38.5 44.8 61.7 24.4 102 102 A D H > S+ 0 0 39 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.850 105.8 47.3 -57.9 -38.4 41.6 59.8 24.9 103 103 A L H X S+ 0 0 0 -4,-1.0 4,-3.1 -3,-0.4 -1,-0.2 0.868 106.4 57.8 -73.2 -35.6 41.9 58.1 21.5 104 104 A L H X S+ 0 0 44 -4,-1.7 4,-2.2 1,-0.2 -2,-0.2 0.900 106.0 51.3 -60.6 -38.5 45.6 57.3 22.2 105 105 A A H X S+ 0 0 30 -4,-1.9 4,-2.2 2,-0.2 -1,-0.2 0.917 111.0 46.7 -60.3 -47.9 44.3 55.4 25.3 106 106 A I H X S+ 0 0 0 -4,-1.6 4,-2.9 2,-0.2 -2,-0.2 0.915 110.6 52.6 -60.3 -45.7 41.8 53.4 23.1 107 107 A M H X S+ 0 0 42 -4,-3.1 4,-2.2 2,-0.2 -2,-0.2 0.888 109.2 50.6 -55.3 -44.8 44.5 52.7 20.5 108 108 A D H X S+ 0 0 69 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.925 111.7 46.5 -58.8 -49.8 46.7 51.3 23.3 109 109 A V H X S+ 0 0 16 -4,-2.2 4,-2.4 2,-0.2 5,-0.2 0.937 110.7 52.6 -59.9 -48.1 43.9 49.1 24.6 110 110 A A H X>S+ 0 0 7 -4,-2.9 5,-2.3 1,-0.2 4,-0.6 0.898 111.8 46.8 -56.7 -42.5 43.0 47.8 21.1 111 111 A K H ><5S+ 0 0 171 -4,-2.2 3,-0.7 3,-0.2 -1,-0.2 0.920 111.9 50.5 -64.0 -45.6 46.7 46.9 20.5 112 112 A R H 3<5S+ 0 0 191 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.844 117.0 38.6 -63.7 -36.9 47.0 45.1 23.9 113 113 A V H 3<5S- 0 0 42 -4,-2.4 -1,-0.2 -5,-0.1 -2,-0.2 0.430 108.6-122.9 -94.5 0.0 43.9 43.0 23.5 114 114 A N T <<5 + 0 0 135 -3,-0.7 2,-0.3 -4,-0.6 -3,-0.2 0.937 67.9 125.9 56.8 51.8 44.6 42.4 19.7 115 115 A K < - 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0 0 67 -2,-1.0 4,-1.8 -3,-0.2 3,-0.5 -0.660 21.5-133.6 -90.2 142.7 43.3 54.8 9.9 323 323 A N H > S+ 0 0 29 -2,-0.3 4,-2.4 1,-0.2 -1,-0.1 0.841 105.8 57.5 -65.7 -35.1 43.4 55.6 13.6 324 324 A E H > S+ 0 0 106 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.823 107.2 49.4 -63.3 -33.7 46.6 57.7 13.3 325 325 A E H > S+ 0 0 50 -3,-0.5 4,-2.0 2,-0.2 -2,-0.2 0.908 109.5 51.0 -67.8 -44.1 44.7 59.9 10.8 326 326 A V H X S+ 0 0 1 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.876 108.5 53.7 -61.6 -38.4 41.8 60.1 13.2 327 327 A Y H X S+ 0 0 40 -4,-2.4 4,-2.3 2,-0.2 -1,-0.2 0.898 106.2 50.8 -58.5 -49.2 44.3 61.2 15.9 328 328 A Q H X S+ 0 0 92 -4,-1.7 4,-1.7 1,-0.2 -2,-0.2 0.860 108.8 52.6 -63.2 -36.1 45.8 64.0 13.7 329 329 A V H X S+ 0 0 2 -4,-2.0 4,-2.5 2,-0.2 -1,-0.2 0.943 108.8 49.3 -61.1 -46.5 42.3 65.3 13.1 330 330 A L H X S+ 0 0 6 -4,-2.1 4,-1.9 1,-0.3 -230,-0.2 0.882 109.9 51.1 -64.8 -36.0 41.6 65.4 16.9 331 331 A K H X S+ 0 0 89 -4,-2.3 4,-2.1 2,-0.2 -1,-0.3 0.838 109.5 51.9 -63.9 -34.7 44.9 67.2 17.4 332 332 A L H X S+ 0 0 7 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.901 107.4 51.1 -69.4 -41.7 43.7 69.7 14.7 333 333 A I H X S+ 0 0 7 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.893 109.7 51.0 -59.9 -39.9 40.4 70.2 16.5 334 334 A E H X S+ 0 0 63 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.909 110.0 49.6 -63.6 -43.7 42.4 70.9 19.7 335 335 A A H X S+ 0 0 9 -4,-2.1 4,-2.7 2,-0.2 -2,-0.2 0.870 109.9 52.3 -59.1 -39.4 44.5 73.5 17.8 336 336 A I H X S+ 0 0 0 -4,-2.3 4,-2.5 2,-0.2 -2,-0.2 0.937 110.4 46.3 -65.1 -47.1 41.3 75.1 16.5 337 337 A F H X S+ 0 0 62 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.899 115.0 47.2 -63.6 -41.3 39.8 75.4 19.9 338 338 A E H X S+ 0 0 98 -4,-2.2 4,-2.4 2,-0.2 6,-0.2 0.908 110.8 52.3 -63.5 -44.8 43.0 76.8 21.3 339 339 A A H X>S+ 0 0 0 -4,-2.7 5,-1.6 1,-0.2 4,-0.7 0.915 113.9 43.0 -60.2 -44.8 43.4 79.3 18.4 340 340 A A H <5S+ 0 0 26 -4,-2.5 -1,-0.2 3,-0.2 -2,-0.2 0.881 114.7 48.3 -70.9 -39.4 39.9 80.6 18.9 341 341 A E H <5S+ 0 0 160 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.852 122.0 34.7 -72.1 -31.8 40.0 80.9 22.7 342 342 A T H <5S- 0 0 61 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.475 101.6-131.0 -97.8 -1.5 43.4 82.6 22.7 343 343 A N T <5 + 0 0 51 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.920 68.7 117.3 47.5 49.2 42.8 84.6 19.4 344 344 A R S S- 0 0 21 -2,-0.5 4,-2.2 58,-0.4 5,-0.2 0.122 86.7 -49.4 -92.9-146.3 49.1 107.2 -17.2 361 13 B G H > S+ 0 0 71 2,-0.2 4,-0.7 1,-0.2 -2,-0.0 0.911 139.7 28.1 -58.1 -52.4 46.0 105.1 -16.9 362 14 B M H > S+ 0 0 58 2,-0.2 4,-1.5 56,-0.2 3,-0.3 0.893 117.5 58.8 -79.7 -42.1 44.4 106.8 -13.9 363 15 B G H 4 S+ 0 0 1 55,-0.4 4,-0.5 1,-0.2 3,-0.2 0.886 106.7 47.8 -52.2 -44.0 46.0 110.2 -14.5 364 16 B S H >X S+ 0 0 41 -4,-2.2 4,-0.6 1,-0.2 3,-0.6 0.806 109.2 54.4 -69.2 -29.3 44.3 110.5 -17.9 365 17 B Y H 3X S+ 0 0 50 -4,-0.7 4,-2.0 -3,-0.3 -1,-0.2 0.746 96.5 66.6 -73.6 -25.3 41.0 109.4 -16.4 366 18 B H H 3X S+ 0 0 0 -4,-1.5 4,-2.9 -3,-0.2 5,-0.3 0.703 87.8 67.3 -68.8 -20.8 41.2 112.2 -13.8 367 19 B V H <> S+ 0 0 25 -3,-0.6 4,-1.9 -4,-0.5 -1,-0.2 0.956 106.6 41.6 -60.8 -46.9 40.9 114.8 -16.6 368 20 B T H X S+ 0 0 93 -4,-0.6 4,-1.0 -3,-0.2 -2,-0.2 0.952 118.3 45.7 -60.2 -54.1 37.3 113.4 -17.0 369 21 B L H < S+ 0 0 44 -4,-2.0 4,-0.5 1,-0.2 3,-0.5 0.905 115.4 44.3 -56.3 -51.5 36.6 113.2 -13.2 370 22 B A H >< S+ 0 0 0 -4,-2.9 3,-1.3 1,-0.2 6,-0.2 0.890 110.8 54.0 -66.3 -40.3 38.0 116.6 -12.3 371 23 B S H 3< S+ 0 0 68 -4,-1.9 -1,-0.2 -5,-0.3 -2,-0.2 0.709 99.0 64.8 -67.8 -20.6 36.3 118.4 -15.2 372 24 B A T 3< S+ 0 0 77 -4,-1.0 -1,-0.3 -3,-0.5 -2,-0.2 0.672 84.4 94.4 -75.7 -18.6 33.0 116.9 -14.0 373 25 B A S X S- 0 0 6 -3,-1.3 3,-0.7 -4,-0.5 264,-0.0 -0.430 84.9-118.8 -72.8 151.6 33.2 119.0 -10.8 374 26 B D T 3 S+ 0 0 114 1,-0.2 -1,-0.1 -2,-0.1 263,-0.1 0.931 100.7 17.7 -58.3 -55.8 31.5 122.4 -10.7 375 27 B N T 3 S+ 0 0 75 262,-0.1 -23,-2.5 -24,-0.0 2,-0.4 -0.196 102.2 97.5-120.9 44.7 34.4 124.8 -10.1 376 28 B L E < -o 352 0D 3 -3,-0.7 2,-0.4 -6,-0.2 -23,-0.2 -0.992 44.3-174.3-135.2 138.5 37.5 122.8 -11.0 377 29 B E E -o 353 0D 86 -25,-2.6 -23,-3.2 -2,-0.4 2,-0.7 -0.979 29.6-121.2-134.2 144.4 39.5 122.8 -14.3 378 30 B V E +o 354 0D 24 -2,-0.4 -23,-0.2 -25,-0.2 3,-0.1 -0.786 31.2 178.4 -84.5 115.8 42.4 120.8 -15.6 379 31 B H E - 0 0 54 -25,-3.0 19,-0.4 -2,-0.7 2,-0.3 0.693 54.6 -36.2 -93.6 -26.1 45.1 123.4 -16.3 380 32 B G E -o 355 0D 0 -26,-1.0 -24,-2.2 17,-0.1 2,-0.3 -0.981 51.7-115.9 177.7-176.7 47.9 121.2 -17.5 381 33 B V E -oq 356 399D 0 17,-2.4 19,-2.6 -2,-0.3 2,-0.4 -0.977 9.7-166.2-144.0 144.5 49.9 118.0 -17.3 382 34 B F E +o 357 0D 27 -26,-2.4 -24,-2.4 -2,-0.3 2,-0.3 -0.982 17.6 158.8-131.8 134.9 53.4 116.8 -16.4 383 35 B D - 0 0 16 -2,-0.4 6,-0.1 17,-0.3 -2,-0.0 -0.982 39.7-136.5-142.8 147.8 54.7 113.3 -17.1 384 36 B I S S+ 0 0 141 -2,-0.3 2,-0.5 4,-0.0 -1,-0.0 0.644 86.0 81.4 -77.6 -15.7 58.3 112.1 -17.4 385 37 B L S > S- 0 0 77 1,-0.1 4,-2.0 -3,-0.0 3,-0.5 -0.817 71.6-146.7 -95.0 131.8 57.6 110.0 -20.5 386 38 B A H > S+ 0 0 44 -2,-0.5 4,-2.5 1,-0.2 5,-0.1 0.863 99.0 55.9 -60.5 -39.8 57.4 111.8 -23.9 387 39 B E H > S+ 0 0 123 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.816 108.1 48.0 -64.1 -33.4 54.7 109.5 -25.2 388 40 B K H > S+ 0 0 65 -3,-0.5 4,-1.9 2,-0.2 -1,-0.2 0.895 111.9 49.2 -74.3 -41.5 52.4 110.3 -22.2 389 41 B R H X S+ 0 0 75 -4,-2.0 4,-2.3 1,-0.2 -2,-0.2 0.886 109.7 53.0 -61.4 -40.5 53.0 114.1 -22.7 390 42 B E H X S+ 0 0 122 -4,-2.5 4,-1.5 1,-0.2 -1,-0.2 0.881 107.8 51.0 -62.1 -38.7 52.2 113.6 -26.4 391 43 B A H X S+ 0 0 46 -4,-1.4 4,-0.6 2,-0.2 -2,-0.2 0.868 110.2 48.8 -67.6 -38.4 48.9 111.9 -25.5 392 44 B A H ><>S+ 0 0 0 -4,-1.9 5,-2.1 1,-0.2 3,-1.2 0.896 106.9 56.0 -68.8 -39.4 47.9 114.8 -23.2 393 45 B A H ><5S+ 0 0 50 -4,-2.3 3,-1.7 1,-0.3 -2,-0.2 0.867 99.8 61.5 -57.7 -37.3 48.8 117.4 -25.9 394 46 B Q H 3<5S+ 0 0 166 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.737 102.0 51.0 -61.3 -25.3 46.4 115.5 -28.2 395 47 B K T <<5S- 0 0 159 -3,-1.2 -1,-0.3 -4,-0.6 -2,-0.2 0.343 125.6-103.2 -94.4 4.8 43.6 116.4 -25.8 396 48 B G T < 5S+ 0 0 68 -3,-1.7 2,-0.3 1,-0.3 -3,-0.2 0.558 70.8 150.2 90.4 10.9 44.6 120.0 -25.8 397 49 B L < - 0 0 24 -5,-2.1 -1,-0.3 -6,-0.1 2,-0.2 -0.610 50.6-115.1 -87.4 133.3 46.3 120.0 -22.4 398 50 B K - 0 0 139 -19,-0.4 -17,-2.4 -2,-0.3 2,-0.5 -0.445 29.0-143.3 -63.0 129.8 49.3 122.3 -21.7 399 51 B I B -q 381 0D 42 -19,-0.2 2,-0.2 -2,-0.2 -17,-0.2 -0.860 8.1-143.8-100.6 125.7 52.4 120.3 -21.1 400 52 B Y - 0 0 15 -19,-2.6 -17,-0.3 -2,-0.5 3,-0.1 -0.633 9.2-138.3 -86.2 147.5 54.9 121.5 -18.5 401 53 B E S S+ 0 0 180 -2,-0.2 2,-0.3 1,-0.1 -1,-0.1 0.831 82.5 0.5 -72.6 -33.5 58.6 121.1 -19.0 402 54 B S > - 0 0 34 1,-0.1 4,-1.0 -20,-0.0 -1,-0.1 -0.931 68.1-112.9-146.2 165.2 59.3 120.1 -15.4 403 55 B Y H > S+ 0 0 19 -2,-0.3 4,-2.0 2,-0.2 3,-0.2 0.853 119.6 60.6 -65.8 -36.3 57.6 119.4 -12.1 404 56 B E H > S+ 0 0 139 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.873 100.6 53.9 -56.9 -39.4 59.4 122.4 -10.9 405 57 B A H > S+ 0 0 24 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.832 105.3 53.8 -66.4 -34.5 57.6 124.5 -13.6 406 58 B V H >< S+ 0 0 0 -4,-1.0 3,-0.8 -3,-0.2 6,-0.2 0.945 111.1 45.0 -61.1 -48.5 54.2 123.3 -12.3 407 59 B L H 3< S+ 0 0 27 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.735 110.1 54.7 -72.5 -23.1 55.0 124.4 -8.8 408 60 B A H 3< S+ 0 0 75 -4,-1.4 2,-0.8 -5,-0.2 -1,-0.2 0.612 84.0 100.4 -84.6 -13.6 56.4 127.8 -9.9 409 61 B D X< - 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