==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER OXIDOREDUCTASE 08-MAY-11 3RWB . COMPND 2 MOLECULE: PYRIDOXAL 4-DEHYDROGENASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MESORHIZOBIUM LOTI; . AUTHOR H.N.CHU . 988 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30517.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 768 77.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 130 13.2 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 . 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 . 66 6.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 118 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 370 37.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 27 2.7 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 8 0 0 4 0 0 0 8 8 0 0 4 3 1 0 0 0 4 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 8 9 4 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 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 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 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 2 A T 0 0 164 0, 0.0 3,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 3.6 45.1 5.6 48.1 2 3 A E > + 0 0 107 28,-0.1 3,-2.0 3,-0.1 27,-0.1 -0.022 360.0 130.7-139.5 33.3 47.5 2.8 47.1 3 4 A R T 3 S+ 0 0 82 1,-0.3 27,-0.2 3,-0.0 225,-0.1 0.717 76.1 52.2 -64.7 -20.6 45.2 0.2 45.7 4 5 A L T > S+ 0 0 2 25,-2.7 3,-2.3 22,-0.1 -1,-0.3 0.238 75.8 139.9-100.2 14.3 47.4 -0.2 42.6 5 6 A A T < S+ 0 0 52 -3,-2.0 26,-0.2 24,-0.4 3,-0.1 -0.345 73.6 18.8 -55.4 132.0 50.7 -0.7 44.6 6 7 A G T 3 S+ 0 0 68 24,-0.6 -1,-0.3 1,-0.3 2,-0.3 0.335 103.2 111.6 89.5 -8.1 52.7 -3.4 42.9 7 8 A K < - 0 0 65 -3,-2.3 25,-2.9 23,-0.1 2,-0.5 -0.674 56.3-144.8 -98.7 154.9 50.9 -3.1 39.5 8 9 A T E -a 32 0A 7 -2,-0.3 74,-3.2 23,-0.2 75,-2.1 -0.980 15.7-170.5-119.3 128.6 52.2 -1.7 36.3 9 10 A A E -ab 33 83A 0 23,-2.9 25,-3.3 -2,-0.5 2,-0.5 -0.962 10.6-154.0-121.0 137.3 50.0 0.3 33.9 10 11 A L E -ab 34 84A 0 73,-2.7 75,-2.8 -2,-0.4 2,-0.5 -0.927 10.8-173.1-104.6 129.3 50.7 1.4 30.3 11 12 A V E > -ab 35 85A 0 23,-2.7 25,-2.4 -2,-0.5 3,-0.5 -0.982 10.7-152.5-121.3 120.0 48.9 4.5 29.1 12 13 A T E 3 S+a 36 0A 1 73,-2.0 25,-0.2 -2,-0.5 75,-0.2 -0.562 78.4 23.3 -86.9 155.5 49.3 5.4 25.4 13 14 A G T > S+ 0 0 12 23,-0.5 3,-0.6 -2,-0.2 6,-0.4 0.851 81.0 143.7 62.5 35.2 49.0 9.0 24.1 14 15 A A T < + 0 0 0 22,-2.6 23,-0.2 -3,-0.5 -1,-0.1 0.249 33.4 96.0 -96.4 13.3 49.9 10.1 27.6 15 16 A A T 3 S- 0 0 14 21,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.773 100.7 -14.4 -71.7 -25.8 52.0 13.2 26.8 16 17 A Q S X> S+ 0 0 92 -3,-0.6 4,-1.5 30,-0.0 3,-0.6 -0.903 105.9 26.2-158.2-178.5 49.0 15.5 27.3 17 18 A G H 3> S- 0 0 11 -2,-0.3 4,-1.9 1,-0.2 5,-0.2 -0.073 117.7 -13.2 57.9-145.3 45.2 15.7 27.6 18 19 A I H 3> S+ 0 0 27 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.885 134.5 59.5 -59.3 -40.1 43.2 12.8 28.9 19 20 A G H <> S+ 0 0 0 -3,-0.6 4,-2.5 -6,-0.4 -5,-0.3 0.920 106.4 45.5 -57.0 -46.8 46.1 10.4 28.5 20 21 A K H X S+ 0 0 65 -4,-1.5 4,-2.7 -7,-0.3 -1,-0.2 0.917 112.4 51.4 -64.9 -41.1 48.3 12.4 30.9 21 22 A A H X S+ 0 0 10 -4,-1.9 4,-2.2 2,-0.2 -2,-0.2 0.899 110.0 49.8 -63.8 -39.5 45.5 12.8 33.4 22 23 A I H X S+ 0 0 0 -4,-2.8 4,-2.6 2,-0.2 5,-0.2 0.951 112.0 47.4 -60.6 -49.5 44.9 9.0 33.3 23 24 A A H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.893 111.0 52.6 -58.3 -41.7 48.6 8.4 33.9 24 25 A A H X S+ 0 0 39 -4,-2.7 4,-2.0 2,-0.2 -1,-0.2 0.915 111.4 45.3 -62.8 -44.1 48.7 10.9 36.7 25 26 A R H X S+ 0 0 47 -4,-2.2 4,-2.0 2,-0.2 -2,-0.2 0.921 111.5 50.8 -67.9 -44.0 45.7 9.3 38.5 26 27 A L H <>S+ 0 0 0 -4,-2.6 5,-2.1 1,-0.2 -1,-0.2 0.877 110.9 50.4 -62.8 -34.8 47.0 5.7 38.1 27 28 A A H ><5S+ 0 0 3 -4,-2.0 3,-1.7 -5,-0.2 -1,-0.2 0.912 108.8 51.0 -66.8 -41.5 50.4 6.9 39.6 28 29 A A H 3<5S+ 0 0 44 -4,-2.0 -2,-0.2 1,-0.3 -1,-0.2 0.824 103.5 60.0 -62.8 -31.4 48.5 8.5 42.5 29 30 A D T 3<5S- 0 0 10 -4,-2.0 -25,-2.7 -5,-0.1 -24,-0.4 0.518 127.4-102.9 -72.4 -9.1 46.8 5.1 42.9 30 31 A G T < 5S+ 0 0 4 -3,-1.7 -24,-0.6 1,-0.3 -3,-0.2 0.402 74.4 136.4 106.6 -1.4 50.2 3.6 43.5 31 32 A A < - 0 0 0 -5,-2.1 2,-0.6 -26,-0.2 22,-0.4 -0.376 61.9-114.1 -78.4 154.5 51.0 1.9 40.1 32 33 A T E -a 8 0A 33 -25,-2.9 -23,-2.9 -28,-0.3 2,-0.5 -0.820 44.7-154.4 -77.6 122.9 54.2 2.0 38.2 33 34 A V E -ac 9 54A 0 20,-1.5 22,-2.6 -2,-0.6 2,-0.8 -0.922 16.5-152.4-114.9 124.6 53.0 3.9 35.1 34 35 A I E -ac 10 55A 0 -25,-3.3 -23,-2.7 -2,-0.5 2,-0.8 -0.849 13.5-157.1 -90.3 111.3 54.5 3.7 31.6 35 36 A V E -ac 11 56A 0 20,-2.9 22,-2.0 -2,-0.8 2,-0.4 -0.827 19.8-180.0 -89.2 108.1 53.8 7.1 30.0 36 37 A S E +a 12 0A 1 -25,-2.4 -22,-2.6 -2,-0.8 -23,-0.5 -0.919 11.1 148.9-119.0 140.4 53.9 6.4 26.3 37 38 A D - 0 0 21 -2,-0.4 22,-1.5 20,-0.4 6,-0.1 -0.973 53.3-121.7-159.6 153.6 53.4 8.8 23.4 38 39 A I S S+ 0 0 119 -2,-0.3 2,-1.1 20,-0.2 3,-0.1 0.758 104.1 79.2 -70.2 -23.6 54.6 9.3 19.8 39 40 A N > - 0 0 65 1,-0.2 4,-2.4 20,-0.1 5,-0.2 -0.755 69.5-173.4 -83.1 99.0 55.8 12.7 21.1 40 41 A A H > S+ 0 0 36 -2,-1.1 4,-2.3 2,-0.2 -1,-0.2 0.927 80.5 45.8 -68.9 -47.2 59.0 11.4 22.8 41 42 A E H > S+ 0 0 147 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.904 114.2 51.1 -58.9 -43.8 60.0 14.7 24.5 42 43 A G H > S+ 0 0 13 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.871 107.5 51.9 -63.3 -39.5 56.4 15.1 25.6 43 44 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 5,-0.2 0.941 110.7 48.4 -62.3 -47.6 56.2 11.6 27.1 44 45 A K H X S+ 0 0 126 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.922 112.1 48.9 -55.7 -48.9 59.4 12.3 29.1 45 46 A A H X S+ 0 0 64 -4,-2.4 4,-2.1 1,-0.2 -1,-0.2 0.899 112.1 48.2 -60.8 -43.3 58.1 15.7 30.3 46 47 A A H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.904 111.3 49.4 -68.7 -39.6 54.8 14.2 31.4 47 48 A A H X S+ 0 0 8 -4,-2.5 4,-2.0 1,-0.2 7,-0.3 0.905 113.6 46.9 -62.6 -41.9 56.4 11.2 33.2 48 49 A A H < S+ 0 0 81 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.849 110.0 54.3 -68.0 -33.5 58.7 13.7 35.0 49 50 A S H < S+ 0 0 81 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.898 111.5 44.3 -65.3 -42.1 55.7 15.9 35.8 50 51 A I H < S+ 0 0 22 -4,-2.2 -2,-0.2 1,-0.2 -1,-0.2 0.872 86.0 175.9 -70.9 -37.2 53.9 13.0 37.5 51 52 A G >< + 0 0 31 -4,-2.0 3,-2.2 -5,-0.2 -1,-0.2 -0.426 40.0 91.1 64.3-138.9 56.9 11.8 39.4 52 53 A K T 3 S- 0 0 156 1,-0.3 -1,-0.1 -2,-0.1 -20,-0.1 -0.224 115.1 -25.0 50.7-134.6 56.0 8.9 41.7 53 54 A K T 3 S+ 0 0 112 -22,-0.4 -20,-1.5 -26,-0.2 2,-0.3 -0.053 99.6 133.1-101.5 37.5 56.6 5.6 39.7 54 55 A A E < +c 33 0A 17 -3,-2.2 2,-0.3 -7,-0.3 -20,-0.2 -0.660 28.0 177.9 -89.8 140.3 56.1 7.1 36.2 55 56 A R E -c 34 0A 136 -22,-2.6 -20,-2.9 -2,-0.3 2,-0.4 -0.996 21.0-131.2-138.5 141.5 58.5 6.3 33.4 56 57 A A E +c 35 0A 13 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.762 24.5 170.3 -98.9 139.0 58.4 7.4 29.7 57 58 A I - 0 0 8 -22,-2.0 -20,-0.4 -2,-0.4 2,-0.1 -0.896 27.3-137.2-142.5 114.8 58.8 5.2 26.7 58 59 A A + 0 0 43 -2,-0.3 2,-0.3 -22,-0.2 -20,-0.2 -0.380 33.4 157.1 -72.6 145.3 58.0 6.7 23.3 59 60 A A - 0 0 5 -22,-1.5 2,-0.6 -2,-0.1 -46,-0.2 -0.963 41.9-133.7-162.7 150.9 56.1 4.7 20.7 60 61 A D > - 0 0 42 -2,-0.3 3,-1.9 3,-0.2 7,-0.3 -0.962 21.5-152.3-103.1 115.3 53.9 5.1 17.7 61 62 A I T 3 S+ 0 0 10 -2,-0.6 57,-0.2 1,-0.3 56,-0.1 0.722 92.9 57.3 -66.9 -18.0 50.9 2.8 18.3 62 63 A S T 3 S+ 0 0 12 55,-0.1 -1,-0.3 1,-0.1 53,-0.0 0.495 91.5 80.5 -87.7 -3.9 50.4 2.2 14.6 63 64 A D <> - 0 0 74 -3,-1.9 4,-2.4 1,-0.1 5,-0.2 -0.898 64.8-160.2-109.1 108.6 53.9 0.9 14.1 64 65 A P H > S+ 0 0 55 0, 0.0 4,-2.3 0, 0.0 -1,-0.1 0.856 92.9 51.2 -62.3 -33.5 54.2 -2.8 15.1 65 66 A G H > S+ 0 0 45 2,-0.2 4,-2.2 1,-0.2 5,-0.1 0.890 110.0 49.8 -66.3 -39.9 58.0 -2.5 15.4 66 67 A S H > S+ 0 0 31 2,-0.2 4,-2.4 -3,-0.2 -1,-0.2 0.897 112.5 47.0 -63.5 -42.9 57.7 0.5 17.6 67 68 A V H X S+ 0 0 1 -4,-2.4 4,-2.5 -7,-0.3 5,-0.2 0.886 108.8 54.7 -68.6 -37.8 55.1 -1.3 19.8 68 69 A K H X S+ 0 0 161 -4,-2.3 4,-2.1 -5,-0.2 -2,-0.2 0.937 110.6 46.3 -58.7 -45.9 57.3 -4.4 20.0 69 70 A A H X S+ 0 0 59 -4,-2.2 4,-2.5 1,-0.2 5,-0.2 0.910 109.3 56.0 -63.4 -43.6 60.2 -2.2 21.3 70 71 A L H X S+ 0 0 2 -4,-2.4 4,-2.4 1,-0.2 -2,-0.2 0.939 110.7 42.9 -51.0 -52.9 57.9 -0.5 23.7 71 72 A F H X S+ 0 0 10 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.840 110.3 55.8 -72.2 -30.0 56.8 -3.8 25.3 72 73 A A H X S+ 0 0 61 -4,-2.1 4,-2.3 -5,-0.2 -1,-0.2 0.939 110.6 45.7 -61.9 -46.8 60.3 -5.2 25.4 73 74 A E H X S+ 0 0 87 -4,-2.5 4,-2.3 1,-0.2 -2,-0.2 0.905 112.9 50.3 -65.0 -40.0 61.5 -2.2 27.3 74 75 A I H X>S+ 0 0 0 -4,-2.4 4,-2.6 -5,-0.2 6,-0.8 0.923 109.9 50.2 -60.8 -44.1 58.5 -2.4 29.6 75 76 A Q H X5S+ 0 0 85 -4,-2.6 4,-1.7 4,-0.2 -2,-0.2 0.922 113.7 46.1 -60.9 -42.5 59.2 -6.1 30.3 76 77 A A H <5S+ 0 0 87 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.848 118.7 41.0 -69.4 -36.4 62.8 -5.3 31.1 77 78 A L H <5S+ 0 0 71 -4,-2.3 -2,-0.2 -5,-0.2 -1,-0.2 0.800 136.7 6.4 -81.8 -30.0 62.0 -2.4 33.3 78 79 A T H <5S- 0 0 40 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.532 94.0-106.5-134.6 -15.7 59.0 -3.8 35.2 79 80 A G S < - 0 0 41 -2,-0.4 3,-2.3 1,-0.1 4,-0.4 -0.305 34.1-113.0 -58.8 145.7 33.9 18.0 6.7 96 97 A W G > S+ 0 0 8 1,-0.3 3,-2.1 2,-0.2 -1,-0.1 0.893 117.1 55.1 -51.4 -43.4 32.3 14.9 5.1 97 98 A D G 3 S+ 0 0 80 1,-0.3 -1,-0.3 3,-0.0 -2,-0.1 0.603 105.6 54.2 -72.5 -6.3 33.2 16.0 1.6 98 99 A D G < S+ 0 0 106 -3,-2.3 2,-1.3 2,-0.1 -1,-0.3 0.345 79.9 104.9-100.8 0.3 36.8 16.2 2.7 99 100 A V < + 0 0 0 -3,-2.1 2,-0.2 -4,-0.4 51,-0.0 -0.720 50.8 163.0 -82.7 95.4 36.8 12.6 4.0 100 101 A D > - 0 0 88 -2,-1.3 4,-2.8 1,-0.0 5,-0.2 -0.499 54.9 -91.6-104.6 179.5 38.8 10.9 1.3 101 102 A L H > S+ 0 0 30 1,-0.2 4,-2.9 2,-0.2 5,-0.2 0.869 123.7 54.8 -63.6 -36.8 40.5 7.5 1.3 102 103 A D H > S+ 0 0 121 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.933 112.5 43.3 -60.3 -46.4 43.8 8.9 2.5 103 104 A H H > S+ 0 0 36 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.949 114.5 49.8 -63.2 -50.5 42.1 10.5 5.5 104 105 A W H X S+ 0 0 0 -4,-2.8 4,-2.6 1,-0.2 5,-0.3 0.938 110.1 50.4 -54.0 -50.5 40.0 7.4 6.3 105 106 A R H X S+ 0 0 107 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.887 110.6 49.8 -57.9 -40.9 43.0 5.1 6.1 106 107 A K H X S+ 0 0 103 -4,-1.8 4,-2.5 -5,-0.2 5,-0.3 0.941 112.3 45.5 -65.7 -47.0 45.0 7.2 8.5 107 108 A I H X>S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.2 5,-0.5 0.915 116.9 45.0 -64.6 -43.5 42.3 7.5 11.2 108 109 A I H X>S+ 0 0 4 -4,-2.6 5,-2.9 -5,-0.2 4,-1.7 0.919 112.5 53.1 -64.8 -42.7 41.5 3.8 11.0 109 110 A D H <>S+ 0 0 48 -4,-2.6 5,-1.5 -5,-0.3 -2,-0.2 0.927 120.2 29.5 -60.9 -48.5 45.2 2.9 11.0 110 111 A V H <5S+ 0 0 17 -4,-2.5 5,-0.4 3,-0.2 4,-0.2 0.971 127.5 38.2 -76.2 -53.6 46.1 4.8 14.2 111 112 A N H <5S+ 0 0 0 -4,-2.2 -3,-0.2 -5,-0.3 -2,-0.2 0.831 133.5 16.4 -74.2 -35.2 42.8 4.8 16.1 112 113 A L T X S+ 0 0 5 -5,-0.4 4,-2.4 2,-0.2 -1,-0.2 0.922 109.6 47.0 -61.9 -41.0 44.6 -0.1 19.3 116 117 A F H X S+ 0 0 2 -4,-1.9 4,-3.5 2,-0.2 5,-0.3 0.957 110.1 52.2 -62.5 -50.3 44.8 -3.7 18.1 117 118 A I H X S+ 0 0 12 -4,-2.9 4,-2.0 1,-0.2 5,-0.2 0.933 114.9 41.9 -53.3 -48.0 48.6 -3.7 17.7 118 119 A V H X S+ 0 0 0 -4,-2.5 4,-3.0 -57,-0.2 -1,-0.2 0.912 116.6 48.0 -67.1 -41.8 49.0 -2.4 21.3 119 120 A T H X S+ 0 0 0 -4,-2.4 4,-2.7 -5,-0.3 5,-0.4 0.894 108.9 53.8 -67.9 -41.2 46.4 -4.7 22.7 120 121 A R H X S+ 0 0 32 -4,-3.5 4,-1.7 -5,-0.2 -2,-0.2 0.971 117.3 37.3 -52.0 -56.7 47.8 -7.8 20.9 121 122 A A H X S+ 0 0 27 -4,-2.0 4,-2.0 -5,-0.3 -2,-0.2 0.900 118.5 49.2 -67.1 -41.7 51.3 -7.2 22.4 122 123 A G H X S+ 0 0 0 -4,-3.0 4,-2.2 -5,-0.2 -1,-0.2 0.903 113.1 43.9 -69.0 -43.1 50.1 -6.0 25.8 123 124 A T H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.839 111.4 54.9 -74.0 -29.2 47.6 -8.8 26.5 124 125 A D H X S+ 0 0 63 -4,-1.7 4,-2.4 -5,-0.4 -2,-0.2 0.921 108.8 49.8 -63.2 -41.1 50.2 -11.3 25.2 125 126 A Q H X S+ 0 0 18 -4,-2.0 4,-0.9 2,-0.2 -2,-0.2 0.900 109.4 50.7 -63.8 -43.1 52.6 -9.8 27.8 126 127 A M H >X>S+ 0 0 0 -4,-2.2 5,-1.9 1,-0.2 4,-0.9 0.940 112.2 47.3 -54.5 -49.7 50.0 -10.1 30.5 127 128 A R H ><5S+ 0 0 57 -4,-2.4 3,-0.8 1,-0.3 -2,-0.2 0.884 102.7 61.2 -64.9 -40.6 49.4 -13.8 29.7 128 129 A A H 3<5S+ 0 0 92 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.789 112.9 40.2 -55.2 -27.3 53.1 -14.6 29.6 129 130 A A H <<5S- 0 0 52 -4,-0.9 -1,-0.3 -3,-0.8 -2,-0.2 0.570 110.1-121.1 -98.8 -14.0 53.2 -13.5 33.2 130 131 A G T <<5 + 0 0 68 -4,-0.9 2,-0.2 -3,-0.8 -3,-0.2 0.667 56.5 159.1 81.3 18.3 49.9 -15.1 34.3 131 132 A K < - 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