==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 19-AUG-08 3E82 . COMPND 2 MOLECULE: PUTATIVE OXIDOREDUCTASE; . SOURCE 2 ORGANISM_SCIENTIFIC: KLEBSIELLA PNEUMONIAE SUBSP. . AUTHOR S.ESWARAMOORTHY,M.B.MOHAMMAD,C.A.THOMAS,A.C.BROWN, . 1384 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 56015.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 974 70.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 134 9.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 171 12.4 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 . 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 . 86 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 387 28.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 33 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 0 8 7 5 1 1 5 7 2 4 0 0 0 4 0 0 4 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 7 8 0 4 4 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 . 10 0 2 10 4 0 7 1 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 0 4 0 0 4 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 15 A T 0 0 140 0, 0.0 2,-0.7 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0 149.8 -10.9 3.0 125.1 2 16 A I E -a 27 0A 20 24,-1.8 26,-3.2 61,-0.1 2,-0.5 -0.877 360.0-146.7-102.2 114.0 -10.4 6.7 124.1 3 17 A N E -a 28 0A 40 -2,-0.7 60,-2.4 24,-0.2 61,-2.4 -0.692 17.0-160.0 -82.7 124.1 -13.7 8.6 123.7 4 18 A I E -ab 29 64A 0 24,-3.2 27,-2.1 -2,-0.5 26,-1.7 -0.821 16.7-161.2-110.0 143.7 -13.6 11.2 121.1 5 19 A A E -ab 31 65A 0 59,-2.2 61,-2.5 -2,-0.4 2,-0.6 -0.987 16.4-152.8-117.3 113.7 -15.8 14.3 120.5 6 20 A L E -ab 32 66A 0 25,-3.0 27,-2.6 -2,-0.6 2,-0.9 -0.830 9.2-147.3 -90.1 120.5 -15.4 15.4 116.9 7 21 A I E +ab 33 67A 1 59,-3.6 61,-2.7 -2,-0.6 27,-0.1 -0.778 66.1 12.7 -95.0 104.2 -16.1 19.2 116.8 8 22 A G - 0 0 14 25,-1.8 26,-0.2 -2,-0.9 25,-0.1 0.265 53.7-149.1 106.1 128.6 -17.7 20.1 113.5 9 23 A Y + 0 0 15 4,-0.1 -1,-0.1 24,-0.1 60,-0.1 -0.304 55.9 122.7-123.2 47.1 -19.2 17.9 110.8 10 24 A G S > S- 0 0 38 58,-0.4 4,-2.8 4,-0.0 5,-0.4 -0.054 85.8 -59.2 -87.8-161.8 -18.4 20.1 107.8 11 25 A F H > S+ 0 0 126 1,-0.2 4,-2.8 2,-0.2 5,-0.4 0.915 137.9 39.3 -47.8 -57.2 -16.3 19.0 104.8 12 26 A V H >>S+ 0 0 44 2,-0.2 4,-2.1 1,-0.2 5,-1.5 0.914 116.1 51.0 -63.4 -44.8 -13.2 18.1 106.7 13 27 A G H 4>S+ 0 0 0 55,-0.4 5,-2.5 3,-0.2 -2,-0.2 0.945 119.5 35.3 -58.7 -48.5 -15.0 16.6 109.7 14 28 A K H <5S+ 0 0 75 -4,-2.8 -2,-0.2 3,-0.2 -1,-0.2 0.877 124.0 39.6 -74.9 -41.1 -17.1 14.3 107.6 15 29 A T H <5S+ 0 0 14 -4,-2.8 -3,-0.2 -5,-0.4 -2,-0.2 0.826 131.8 13.6 -81.3 -34.3 -14.7 13.4 104.8 16 30 A F T X5S+ 0 0 22 -4,-2.1 4,-2.1 -5,-0.4 5,-0.2 0.848 124.3 39.2-105.3 -67.7 -11.5 13.0 106.7 17 31 A H H > S+ 0 0 38 0, 0.0 4,-1.1 0, 0.0 -1,-0.2 0.906 117.2 45.7 -59.2 -42.3 -13.9 7.9 108.5 20 34 A L H >< S+ 0 0 0 -4,-2.1 3,-0.5 2,-0.2 4,-0.3 0.960 115.6 45.6 -65.4 -50.8 -10.3 7.7 109.7 21 35 A I H >< S+ 0 0 0 -4,-2.8 3,-2.3 1,-0.2 6,-0.2 0.949 110.9 52.8 -56.8 -52.6 -11.2 7.7 113.4 22 36 A R H 3< S+ 0 0 145 -4,-2.9 -1,-0.2 -5,-0.3 -2,-0.2 0.756 107.0 54.8 -55.1 -27.2 -13.9 5.1 112.9 23 37 A S T << S+ 0 0 26 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.460 92.6 84.6 -87.7 -2.1 -11.4 2.9 111.1 24 38 A V S X S- 0 0 2 -3,-2.3 3,-1.4 -4,-0.3 -1,-0.1 -0.876 73.6-140.0-107.8 111.4 -8.9 2.9 114.1 25 39 A P T 3 S+ 0 0 88 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.346 87.8 40.2 -65.1 145.3 -9.5 0.4 116.9 26 40 A G T 3 S+ 0 0 37 1,-0.3 -24,-1.8 265,-0.0 2,-0.4 0.282 99.8 90.7 98.7 -11.5 -8.9 1.8 120.4 27 41 A L E < -a 2 0A 16 -3,-1.4 2,-0.5 -6,-0.2 -1,-0.3 -0.940 59.5-160.6-116.6 142.0 -10.6 5.1 119.5 28 42 A N E -a 3 0A 63 -26,-3.2 -24,-3.2 -2,-0.4 2,-1.3 -0.899 9.8-155.0-128.9 105.1 -14.3 5.6 120.0 29 43 A L E +a 4 0A 6 -2,-0.5 -24,-0.1 1,-0.2 -26,-0.1 -0.635 36.3 151.1 -75.8 99.0 -16.1 8.4 118.1 30 44 A A E + 0 0 17 -26,-1.7 18,-2.8 -2,-1.3 2,-0.4 0.740 54.6 38.7-102.9 -29.2 -18.9 8.9 120.6 31 45 A F E -ac 5 48A 17 -27,-2.1 -25,-3.0 -3,-0.2 2,-0.4 -0.957 53.0-173.0-129.7 145.7 -19.8 12.6 120.2 32 46 A V E -ac 6 49A 0 16,-2.2 18,-2.3 -2,-0.4 2,-0.7 -0.989 18.5-143.5-135.6 122.7 -20.1 15.0 117.3 33 47 A A E +ac 7 50A 2 -27,-2.6 -25,-1.8 -2,-0.4 2,-0.3 -0.793 45.0 133.1 -89.2 116.4 -20.7 18.7 117.8 34 48 A S - 0 0 21 16,-1.7 3,-0.1 -2,-0.7 18,-0.1 -0.953 58.5-137.4-163.8 143.5 -22.9 20.0 115.0 35 49 A R S S+ 0 0 188 -2,-0.3 2,-0.6 1,-0.2 16,-0.1 0.536 99.0 66.5 -78.0 -7.4 -26.1 22.1 114.6 36 50 A D > + 0 0 81 1,-0.2 4,-1.5 15,-0.1 3,-0.3 -0.755 56.9 171.9-119.8 85.7 -27.3 19.6 112.1 37 51 A E H > S+ 0 0 111 -2,-0.6 4,-3.2 1,-0.2 5,-0.2 0.898 77.1 57.4 -59.3 -44.2 -28.0 16.3 113.8 38 52 A E H > S+ 0 0 157 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.888 104.3 52.0 -55.7 -43.3 -29.6 14.6 110.8 39 53 A K H > S+ 0 0 73 -3,-0.3 4,-0.6 2,-0.2 -1,-0.2 0.916 115.3 42.2 -60.9 -42.6 -26.6 15.2 108.6 40 54 A V H >X S+ 0 0 0 -4,-1.5 4,-3.2 1,-0.2 3,-1.2 0.968 114.6 49.7 -67.7 -52.7 -24.4 13.5 111.3 41 55 A K H 3< S+ 0 0 73 -4,-3.2 -2,-0.2 1,-0.3 -1,-0.2 0.718 98.4 64.3 -61.9 -27.2 -26.8 10.7 112.1 42 56 A R H 3< S+ 0 0 203 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.829 120.1 27.2 -67.6 -26.2 -27.4 9.6 108.5 43 57 A D H << S+ 0 0 59 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.812 135.4 30.7 -97.2 -41.8 -23.7 8.7 108.4 44 58 A L >< + 0 0 10 -4,-3.2 3,-1.4 -5,-0.1 -1,-0.2 -0.720 63.5 168.5-123.9 78.6 -23.0 8.0 112.1 45 59 A P T 3 S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.705 76.5 54.3 -62.6 -23.5 -26.3 6.6 113.6 46 60 A D T 3 S+ 0 0 95 2,-0.1 2,-0.2 -5,-0.0 -5,-0.1 0.305 89.7 94.2 -97.4 7.5 -24.6 5.5 116.9 47 61 A V S < S- 0 0 1 -3,-1.4 2,-0.6 -7,-0.1 -16,-0.2 -0.609 73.4-121.8 -98.4 161.9 -23.0 8.8 117.8 48 62 A T E -c 31 0A 76 -18,-2.8 -16,-2.2 -2,-0.2 2,-0.6 -0.910 23.3-145.2-103.2 121.2 -24.4 11.5 120.1 49 63 A V E -c 32 0A 19 -2,-0.6 2,-0.5 -18,-0.2 -16,-0.2 -0.773 11.3-165.6 -90.6 122.6 -24.8 14.9 118.4 50 64 A I E -c 33 0A 26 -18,-2.3 -16,-1.7 -2,-0.6 6,-0.1 -0.939 10.1-153.8-108.2 122.7 -24.2 17.9 120.7 51 65 A A S S+ 0 0 50 -2,-0.5 -1,-0.1 -18,-0.2 -15,-0.1 0.870 76.6 64.6 -63.6 -40.7 -25.4 21.2 119.2 52 66 A S > - 0 0 36 1,-0.1 4,-2.2 -18,-0.1 5,-0.1 -0.776 64.4-156.9 -95.4 122.3 -22.9 23.4 121.1 53 67 A P H > S+ 0 0 31 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.912 97.5 52.2 -58.4 -45.1 -19.2 23.1 120.4 54 68 A E H > S+ 0 0 90 1,-0.2 4,-0.6 2,-0.2 5,-0.0 0.896 110.4 48.1 -60.0 -40.9 -18.3 24.6 123.8 55 69 A A H >4 S+ 0 0 49 1,-0.2 3,-0.6 2,-0.2 4,-0.3 0.884 110.3 54.4 -66.2 -38.1 -20.5 22.1 125.5 56 70 A A H >< S+ 0 0 0 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.945 103.5 51.8 -61.5 -51.6 -18.9 19.3 123.5 57 71 A V H 3< S+ 0 0 0 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.649 114.0 46.8 -63.9 -12.5 -15.3 20.1 124.4 58 72 A Q T << S+ 0 0 102 -4,-0.6 -1,-0.3 -3,-0.6 -2,-0.2 0.334 79.5 133.3-111.4 7.6 -16.3 20.0 128.1 59 73 A H X - 0 0 48 -3,-1.8 3,-1.4 -4,-0.3 -3,-0.1 -0.318 59.0-127.2 -63.4 138.0 -18.4 16.8 128.1 60 74 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.843 104.4 46.7 -50.8 -48.4 -17.6 14.3 131.0 61 75 A D T 3 S+ 0 0 94 -57,-0.0 2,-0.5 2,-0.0 -58,-0.2 0.366 88.7 109.0 -83.7 7.6 -17.0 11.1 129.0 62 76 A V < + 0 0 3 -3,-1.4 -58,-0.2 1,-0.2 3,-0.1 -0.739 31.9 166.4 -91.6 125.3 -14.8 12.9 126.5 63 77 A D S S+ 0 0 70 -60,-2.4 24,-2.6 -2,-0.5 2,-0.4 0.800 70.3 29.7 -99.0 -41.6 -11.0 12.0 126.5 64 78 A L E -bd 4 87A 0 -61,-2.4 -59,-2.2 22,-0.2 2,-0.5 -0.978 64.7-155.7-127.8 134.6 -9.9 13.5 123.2 65 79 A V E -bd 5 88A 0 22,-2.7 24,-2.6 -2,-0.4 2,-0.6 -0.909 2.5-162.0-109.5 130.5 -11.3 16.5 121.2 66 80 A V E -bd 6 89A 0 -61,-2.5 -59,-3.6 -2,-0.5 2,-0.8 -0.947 12.8-152.1-113.5 109.1 -10.8 16.7 117.5 67 81 A I E +bd 7 90A 0 22,-2.5 24,-2.3 -2,-0.6 -59,-0.1 -0.733 35.4 149.4 -87.6 109.2 -11.4 20.3 116.3 68 82 A A + 0 0 11 -61,-2.7 -58,-0.4 -2,-0.8 -55,-0.4 -0.089 37.3 119.4-127.9 31.8 -12.6 20.5 112.7 69 83 A S S S- 0 0 18 1,-0.2 5,-0.1 -57,-0.1 -61,-0.1 -0.133 77.4 -47.9 -85.5-176.4 -14.7 23.6 113.1 70 84 A P >> - 0 0 95 0, 0.0 3,-1.7 0, 0.0 4,-0.6 -0.205 60.5-108.8 -56.1 150.5 -14.2 26.9 111.2 71 85 A N G >4 S+ 0 0 64 1,-0.3 3,-1.5 2,-0.2 4,-0.5 0.861 115.5 54.2 -45.8 -51.5 -10.6 28.2 111.2 72 86 A A G 34 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.1 24,-0.1 0.675 105.5 55.0 -62.6 -18.6 -11.2 31.1 113.5 73 87 A T G <> S+ 0 0 45 -3,-1.7 4,-2.3 1,-0.1 5,-0.3 0.556 84.0 86.4 -92.9 -8.0 -12.6 28.9 116.2 74 88 A H H S+ 0 0 6 -4,-0.5 4,-2.1 1,-0.2 -1,-0.2 0.914 116.3 47.3 -58.5 -47.5 -7.6 28.4 119.0 76 90 A P H > S+ 0 0 74 0, 0.0 4,-2.2 0, 0.0 -1,-0.2 0.921 114.6 44.8 -61.1 -47.9 -10.6 29.3 121.2 77 91 A L H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.849 110.6 55.8 -66.5 -33.6 -12.0 25.8 121.3 78 92 A A H X S+ 0 0 0 -4,-2.1 4,-2.7 -5,-0.3 5,-0.2 0.921 108.2 47.6 -64.2 -45.3 -8.6 24.3 121.9 79 93 A R H X S+ 0 0 83 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.932 112.7 48.8 -59.3 -48.2 -8.1 26.5 125.0 80 94 A L H X S+ 0 0 53 -4,-2.2 4,-1.2 1,-0.2 -2,-0.2 0.893 112.4 49.4 -60.3 -40.4 -11.5 25.6 126.3 81 95 A A H <>S+ 0 0 0 -4,-2.5 5,-2.5 2,-0.2 3,-0.2 0.934 111.3 46.7 -65.3 -50.1 -10.7 21.9 125.7 82 96 A L H ><5S+ 0 0 0 -4,-2.7 3,-1.5 1,-0.2 -1,-0.2 0.888 111.8 51.5 -60.9 -39.6 -7.3 21.9 127.4 83 97 A N H 3<5S+ 0 0 85 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.2 0.799 105.5 55.9 -68.6 -26.3 -8.7 23.8 130.4 84 98 A A T 3<5S- 0 0 36 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.357 124.3-108.5 -85.1 5.1 -11.5 21.2 130.6 85 99 A G T < 5S+ 0 0 26 -3,-1.5 2,-0.2 1,-0.2 -3,-0.2 0.697 72.4 138.6 77.9 20.8 -8.7 18.6 130.9 86 100 A K < - 0 0 18 -5,-2.5 -1,-0.2 -29,-0.1 2,-0.2 -0.646 54.9-119.1 -98.3 153.8 -9.1 17.1 127.5 87 101 A H E -d 64 0A 47 -24,-2.6 -22,-2.7 -2,-0.2 2,-0.4 -0.608 37.8-146.4 -83.1 154.6 -6.4 16.0 125.0 88 102 A V E -de 65 115A 0 26,-3.2 28,-2.3 -2,-0.2 2,-0.5 -0.984 26.7-174.4-137.8 136.4 -6.7 17.9 121.7 89 103 A V E -de 66 116A 0 -24,-2.6 -22,-2.5 -2,-0.4 2,-0.5 -0.993 21.6-156.6-120.7 122.2 -6.0 17.3 118.0 90 104 A V E -de 67 117A 0 26,-2.8 28,-2.8 -2,-0.5 -22,-0.1 -0.892 10.8-135.6-107.8 126.4 -6.5 20.5 115.9 91 105 A D - 0 0 18 -24,-2.3 28,-0.1 -2,-0.5 -22,-0.1 -0.464 58.3 -48.6 -71.1 148.3 -7.3 20.4 112.2 92 106 A K S S+ 0 0 36 26,-0.3 -1,-0.1 -2,-0.1 2,-0.1 -0.343 119.5 55.3 -61.4 144.0 -5.1 22.8 110.2 93 107 A P - 0 0 18 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 0.515 68.1-159.2 -82.0 147.0 -4.6 25.7 110.7 94 108 A F S S- 0 0 5 1,-0.2 2,-0.3 213,-0.1 -3,-0.1 0.952 78.1 -30.6 -48.2 -55.3 -3.3 25.1 114.3 95 109 A T - 0 0 3 -21,-0.1 -1,-0.2 -5,-0.1 -23,-0.1 -0.894 56.6-116.1-152.8 173.5 -4.2 28.8 114.9 96 110 A L S S+ 0 0 99 -2,-0.3 2,-0.3 1,-0.2 -24,-0.1 0.283 101.3 47.6-100.6 9.6 -4.3 31.9 112.7 97 111 A D S > S- 0 0 71 1,-0.1 4,-1.9 2,-0.0 3,-0.3 -0.970 70.6-142.1-152.8 131.5 -1.5 33.4 114.8 98 112 A X H > S+ 0 0 8 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.805 102.2 59.5 -64.7 -29.9 1.8 32.1 116.0 99 113 A Q H > S+ 0 0 101 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 107.5 46.8 -66.1 -38.5 1.6 33.9 119.4 100 114 A E H > S+ 0 0 73 -3,-0.3 4,-2.6 2,-0.2 5,-0.2 0.903 108.5 56.3 -66.7 -39.8 -1.6 32.0 120.0 101 115 A A H X S+ 0 0 0 -4,-1.9 4,-2.7 1,-0.2 -2,-0.2 0.945 107.9 47.6 -55.9 -49.3 0.1 28.8 118.9 102 116 A R H X S+ 0 0 53 -4,-2.4 4,-2.2 1,-0.2 -1,-0.2 0.855 110.7 51.9 -61.6 -35.7 2.8 29.3 121.5 103 117 A E H X S+ 0 0 81 -4,-1.7 4,-2.7 2,-0.2 -1,-0.2 0.886 110.6 47.7 -68.5 -37.9 0.2 30.0 124.2 104 118 A L H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.2 0.921 110.6 51.4 -67.8 -42.8 -1.7 26.8 123.4 105 119 A I H X S+ 0 0 22 -4,-2.7 4,-1.6 -5,-0.2 -2,-0.2 0.934 113.3 46.6 -58.1 -43.6 1.6 24.9 123.4 106 120 A A H X S+ 0 0 53 -4,-2.2 4,-2.3 -5,-0.2 -2,-0.2 0.912 111.7 50.1 -63.9 -45.1 2.3 26.4 126.9 107 121 A L H X S+ 0 0 14 -4,-2.7 4,-3.0 1,-0.2 5,-0.2 0.913 107.6 53.0 -61.0 -46.9 -1.2 25.7 128.2 108 122 A A H <>S+ 0 0 4 -4,-2.8 5,-2.4 1,-0.2 4,-0.3 0.881 110.9 47.3 -57.6 -41.1 -1.2 22.0 127.1 109 123 A E H ><5S+ 0 0 139 -4,-1.6 3,-0.9 -5,-0.2 -1,-0.2 0.925 112.2 49.1 -68.0 -43.4 2.1 21.5 129.0 110 124 A E H 3<5S+ 0 0 143 -4,-2.3 -2,-0.2 1,-0.3 -1,-0.2 0.928 116.7 42.6 -59.9 -44.2 0.8 23.3 132.1 111 125 A K T 3<5S- 0 0 85 -4,-3.0 -1,-0.3 -5,-0.2 -2,-0.2 0.465 107.7-131.5 -81.7 -0.9 -2.3 21.1 131.9 112 126 A Q T < 5 + 0 0 167 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.897 61.2 131.2 49.9 48.3 -0.2 18.1 131.1 113 127 A R < - 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