==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 18-MAR-11 3R5E . COMPND 2 MOLECULE: TRANSALDOLASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM GLUTAMICUM; . AUTHOR T.SANDALOVA,A.K.SAMLAND,G.SCHNEIDER . 360 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14835.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 284 78.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 37 10.3 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 . 1 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 . 22 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 173 48.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 2.2 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 1 2 1 1 0 2 3 0 0 1 1 1 0 0 0 2 1 0 0 0 0 0 0 0 0 0 1 RESIDUES PER ALPHA HELIX . 1 1 1 3 2 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 . 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 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 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 0 216 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -78.3 -18.4 31.9 5.1 2 2 A S > - 0 0 22 1,-0.1 4,-2.1 33,-0.1 5,-0.2 -0.302 360.0-110.2 -94.7 168.3 -21.1 29.3 4.1 3 3 A H H > S+ 0 0 69 295,-0.3 4,-1.8 1,-0.2 295,-0.1 0.781 120.2 57.1 -64.2 -25.3 -21.6 25.5 4.8 4 4 A I H > S+ 0 0 1 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.888 105.6 50.2 -72.4 -39.2 -20.8 24.9 1.1 5 5 A D H > S+ 0 0 47 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.928 109.9 50.4 -58.7 -45.8 -17.4 26.6 1.6 6 6 A D H X S+ 0 0 61 -4,-2.1 4,-1.2 1,-0.2 -2,-0.2 0.892 108.1 53.6 -60.1 -38.2 -16.9 24.4 4.7 7 7 A L H <>S+ 0 0 0 -4,-1.8 5,-2.0 1,-0.2 4,-0.5 0.869 107.5 49.9 -65.5 -37.2 -17.7 21.4 2.4 8 8 A A H ><5S+ 0 0 55 -4,-1.9 3,-0.7 3,-0.2 -1,-0.2 0.842 104.8 57.5 -68.1 -33.8 -15.1 22.4 -0.1 9 9 A Q H 3<5S+ 0 0 157 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.809 102.9 54.9 -67.0 -27.7 -12.5 22.8 2.7 10 10 A L T 3<5S- 0 0 45 -4,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.670 131.5 -99.2 -74.2 -20.3 -13.3 19.1 3.4 11 11 A G T < 5S+ 0 0 23 -3,-0.7 274,-1.8 -4,-0.5 2,-0.6 0.345 85.2 119.4 121.8 -1.7 -12.4 18.4 -0.2 12 12 A T E < -a 285 0A 0 -5,-2.0 274,-0.3 272,-0.2 -1,-0.2 -0.859 48.4-151.5-105.4 112.2 -15.8 18.2 -1.9 13 13 A S E -a 286 0A 17 272,-3.0 274,-2.3 -2,-0.6 2,-0.6 -0.522 16.6-131.0 -75.1 147.4 -16.6 20.6 -4.7 14 14 A T E +a 287 0A 2 23,-0.4 25,-2.8 272,-0.2 26,-0.4 -0.905 26.3 179.2-105.9 118.8 -20.3 21.5 -5.2 15 15 A W E -a 288 0A 0 272,-2.6 274,-2.4 -2,-0.6 2,-0.4 -0.841 27.3-120.8-108.9 158.7 -21.9 21.4 -8.7 16 16 A L E -ab 289 41A 0 24,-2.4 26,-1.5 -2,-0.3 272,-0.1 -0.835 14.4-138.0-101.5 136.6 -25.5 22.1 -9.6 17 17 A D S S+ 0 0 38 272,-2.0 2,-0.3 -2,-0.4 24,-0.1 0.181 77.1 43.0 -89.3 18.8 -27.5 19.3 -11.3 18 18 A D - 0 0 5 271,-0.2 25,-0.2 2,-0.1 2,-0.2 -0.989 50.5-159.9-157.5 156.7 -29.3 21.4 -13.9 19 19 A L + 0 0 9 -2,-0.3 2,-0.3 22,-0.1 25,-0.2 -0.629 28.1 169.4-131.6 68.4 -28.8 24.2 -16.4 20 20 A S >> - 0 0 7 -2,-0.2 3,-0.8 1,-0.1 4,-0.8 -0.650 42.3-127.0 -82.3 142.8 -32.3 25.6 -17.2 21 21 A R H 3> S+ 0 0 33 -2,-0.3 4,-2.2 1,-0.2 5,-0.3 0.723 107.9 70.5 -61.4 -24.3 -32.4 28.9 -19.1 22 22 A E H 3> S+ 0 0 101 1,-0.2 4,-2.3 2,-0.2 6,-0.4 0.957 97.4 51.0 -49.4 -52.5 -34.6 30.2 -16.3 23 23 A R H <4 S+ 0 0 32 -3,-0.8 6,-2.7 1,-0.2 5,-0.4 0.769 111.2 47.6 -58.8 -33.8 -31.5 30.2 -14.1 24 24 A I H >< S+ 0 0 39 -4,-0.8 3,-1.2 4,-0.2 6,-0.2 0.963 114.7 40.5 -76.1 -56.0 -29.4 32.1 -16.7 25 25 A T H 3< S+ 0 0 115 -4,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.913 113.6 54.2 -61.7 -44.5 -31.8 35.0 -17.6 26 26 A S T 3< S- 0 0 87 -4,-2.3 -1,-0.3 -5,-0.3 -2,-0.2 0.604 113.1-117.3 -62.1 -14.0 -33.0 35.5 -14.0 27 27 A G S <> S+ 0 0 30 -3,-1.2 4,-2.2 -4,-0.2 3,-0.2 0.435 80.3 126.4 80.3 2.7 -29.3 35.9 -12.9 28 28 A N H > + 0 0 25 -5,-0.4 4,-3.0 -6,-0.4 -4,-0.2 0.858 66.7 55.7 -58.5 -37.6 -29.7 32.8 -10.7 29 29 A L H > S+ 0 0 5 -6,-2.7 4,-1.6 1,-0.2 -1,-0.2 0.896 110.4 44.2 -69.7 -37.4 -26.7 31.0 -12.2 30 30 A S H > S+ 0 0 56 -7,-0.3 4,-2.8 -6,-0.2 5,-0.2 0.927 114.7 50.8 -63.9 -45.4 -24.4 33.9 -11.4 31 31 A Q H X>S+ 0 0 83 -4,-2.2 4,-3.7 1,-0.2 5,-0.8 0.916 107.7 51.6 -60.6 -45.0 -26.0 34.2 -8.0 32 32 A V H X5S+ 0 0 0 -4,-3.0 6,-1.8 3,-0.2 4,-1.0 0.875 114.1 43.8 -63.6 -38.8 -25.5 30.5 -7.2 33 33 A I H X5S+ 0 0 31 -4,-1.6 4,-0.6 4,-0.2 -2,-0.2 0.954 121.9 39.1 -65.3 -50.4 -21.8 30.7 -8.2 34 34 A E H <5S+ 0 0 155 -4,-2.8 -2,-0.2 -5,-0.1 -3,-0.2 0.838 133.4 19.9 -71.9 -36.5 -21.2 33.9 -6.3 35 35 A E H <5S+ 0 0 121 -4,-3.7 -3,-0.2 -5,-0.2 -2,-0.1 0.716 128.8 41.0-111.0 -30.0 -23.4 33.2 -3.2 36 36 A K H < - 0 0 37 -25,-0.2 4,-2.5 1,-0.1 5,-0.2 -0.760 10.9-170.9-152.6 96.8 -30.9 18.1 -17.2 45 45 A P H > S+ 0 0 15 0, 0.0 4,-3.9 0, 0.0 5,-0.2 0.938 89.1 53.1 -59.0 -50.4 -33.3 16.8 -19.9 46 46 A A H > S+ 0 0 38 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.909 114.2 42.7 -48.4 -50.1 -36.2 16.2 -17.4 47 47 A I H > S+ 0 0 70 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.883 114.6 51.1 -64.1 -40.6 -36.0 19.8 -16.1 48 48 A F H X S+ 0 0 15 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.945 108.9 52.0 -59.6 -51.2 -35.5 21.1 -19.6 49 49 A A H X S+ 0 0 2 -4,-3.9 4,-1.4 1,-0.2 -2,-0.2 0.923 112.2 45.6 -46.8 -53.0 -38.6 19.2 -20.7 50 50 A A H X S+ 0 0 33 -4,-2.1 4,-2.7 -5,-0.2 5,-0.3 0.880 106.9 58.0 -63.3 -40.3 -40.6 20.8 -17.9 51 51 A A H X S+ 0 0 5 -4,-2.3 4,-1.6 1,-0.2 6,-0.3 0.872 108.3 45.8 -64.0 -38.0 -39.3 24.3 -18.5 52 52 A M H < S+ 0 0 2 -4,-1.8 -1,-0.2 2,-0.2 -2,-0.2 0.798 116.7 45.6 -71.5 -32.7 -40.6 24.3 -22.1 53 53 A S H < S+ 0 0 70 -4,-1.4 -2,-0.2 -5,-0.2 -1,-0.2 0.844 128.8 22.6 -77.0 -36.3 -44.0 22.9 -21.1 54 54 A K H < S+ 0 0 162 -4,-2.7 2,-0.3 -5,-0.1 -2,-0.2 0.449 118.4 52.3-115.8 -2.2 -44.6 25.1 -18.0 55 55 A G < - 0 0 22 -4,-1.6 3,-0.2 -5,-0.3 -33,-0.0 -0.861 61.3-137.7-138.6 166.2 -42.5 28.2 -18.6 56 56 A D S > S+ 0 0 122 -2,-0.3 3,-1.6 1,-0.1 4,-0.4 0.292 71.5 109.5-103.9 7.2 -41.6 31.0 -21.1 57 57 A S T 3 S+ 0 0 25 -6,-0.3 3,-0.2 1,-0.3 -1,-0.1 0.755 87.8 35.9 -61.5 -27.7 -37.8 30.9 -20.5 58 58 A Y T 3> S+ 0 0 2 -3,-0.2 4,-2.1 -7,-0.2 3,-0.4 0.374 86.2 107.2-101.3 1.4 -37.2 29.4 -24.0 59 59 A D H <> S+ 0 0 66 -3,-1.6 4,-2.1 1,-0.2 5,-0.1 0.832 75.2 54.3 -53.0 -40.9 -40.0 31.2 -25.8 60 60 A A H > S+ 0 0 81 -4,-0.4 4,-1.7 1,-0.2 -1,-0.2 0.918 112.9 39.8 -61.4 -47.8 -37.6 33.6 -27.7 61 61 A Q H > S+ 0 0 14 -3,-0.4 4,-3.1 2,-0.2 -1,-0.2 0.790 111.8 56.8 -76.5 -29.4 -35.4 30.9 -29.3 62 62 A I H X S+ 0 0 2 -4,-2.1 4,-2.8 2,-0.2 5,-0.3 0.897 105.7 51.9 -63.9 -42.3 -38.4 28.6 -30.0 63 63 A A H X S+ 0 0 56 -4,-2.1 4,-1.7 -5,-0.2 -2,-0.2 0.943 112.9 46.5 -56.5 -47.2 -39.8 31.5 -32.0 64 64 A E H X S+ 0 0 136 -4,-1.7 4,-2.3 2,-0.2 -2,-0.2 0.948 115.1 44.1 -55.5 -55.6 -36.5 31.7 -33.8 65 65 A L H <>S+ 0 0 24 -4,-3.1 5,-1.4 1,-0.2 -1,-0.2 0.787 112.0 52.1 -68.2 -31.8 -36.3 27.9 -34.5 66 66 A K H <5S+ 0 0 94 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.832 108.1 54.4 -71.1 -30.0 -39.9 27.7 -35.5 67 67 A A H <5S+ 0 0 87 -4,-1.7 -2,-0.2 -5,-0.3 -1,-0.2 0.936 110.2 49.9 -66.7 -49.1 -39.1 30.5 -38.0 68 68 A A T <5S- 0 0 66 -4,-2.3 0, 0.0 -5,-0.1 0, 0.0 -0.165 112.3 -96.2 -71.5-176.4 -36.3 28.6 -39.5 69 69 A G T 5 + 0 0 82 -2,-0.0 -3,-0.1 2,-0.0 -4,-0.1 0.009 61.5 168.4 -94.3 33.5 -37.1 25.0 -40.5 70 70 A A < - 0 0 18 -5,-1.4 2,-0.0 -6,-0.1 -5,-0.0 -0.199 25.3-145.2 -67.9 124.4 -35.8 23.4 -37.3 71 71 A S > - 0 0 56 1,-0.1 4,-2.6 -2,-0.1 5,-0.2 -0.287 33.5-101.5 -68.6 165.4 -36.6 19.7 -36.5 72 72 A V H > S+ 0 0 32 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.910 125.0 48.9 -55.7 -44.7 -37.2 18.6 -32.9 73 73 A D H > S+ 0 0 87 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.911 112.3 47.6 -63.5 -44.1 -33.6 17.2 -32.8 74 74 A Q H > S+ 0 0 118 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.869 112.3 49.6 -65.2 -38.1 -32.1 20.4 -34.2 75 75 A A H X S+ 0 0 0 -4,-2.6 4,-2.8 2,-0.2 5,-0.3 0.968 112.7 45.8 -65.9 -52.3 -34.1 22.6 -31.8 76 76 A V H X S+ 0 0 5 -4,-2.4 4,-1.9 -5,-0.2 5,-0.2 0.891 115.9 48.3 -55.3 -43.2 -33.1 20.5 -28.7 77 77 A Y H X S+ 0 0 70 -4,-2.3 4,-2.3 -5,-0.2 5,-0.2 0.972 113.7 45.2 -60.0 -57.7 -29.5 20.5 -30.0 78 78 A A H X S+ 0 0 27 -4,-2.9 4,-2.1 1,-0.2 -2,-0.2 0.895 114.5 47.7 -54.0 -48.8 -29.3 24.3 -30.6 79 79 A M H X S+ 0 0 0 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.929 113.8 44.6 -65.9 -46.4 -31.0 25.3 -27.4 80 80 A S H X S+ 0 0 16 -4,-1.9 4,-2.6 -5,-0.3 -1,-0.2 0.867 113.0 51.3 -70.3 -35.7 -28.9 23.1 -25.0 81 81 A I H X S+ 0 0 2 -4,-2.3 4,-2.6 -5,-0.2 5,-0.3 0.892 109.2 50.2 -65.9 -40.2 -25.6 24.0 -26.8 82 82 A D H X S+ 0 0 66 -4,-2.1 4,-1.9 -5,-0.2 -2,-0.2 0.935 113.6 46.6 -65.0 -43.2 -26.3 27.7 -26.5 83 83 A D H X S+ 0 0 7 -4,-2.2 4,-2.4 2,-0.2 -2,-0.2 0.948 115.0 46.8 -55.6 -50.4 -27.1 27.2 -22.7 84 84 A V H X S+ 0 0 0 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.901 112.5 47.3 -65.8 -44.9 -23.9 25.1 -22.2 85 85 A R H X S+ 0 0 59 -4,-2.6 4,-2.1 2,-0.2 -1,-0.2 0.852 111.7 52.4 -66.8 -35.2 -21.6 27.5 -24.0 86 86 A N H X S+ 0 0 81 -4,-1.9 4,-1.8 -5,-0.3 -2,-0.2 0.915 111.2 46.2 -63.9 -44.2 -23.1 30.4 -22.1 87 87 A A H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.886 108.7 57.5 -65.7 -38.2 -22.4 28.5 -18.8 88 88 A C H < S+ 0 0 0 -4,-2.7 4,-0.3 2,-0.2 -2,-0.2 0.936 105.9 49.4 -57.1 -48.1 -18.9 27.7 -20.0 89 89 A D H >< S+ 0 0 79 -4,-2.1 3,-1.6 1,-0.2 4,-0.3 0.940 111.4 48.0 -54.8 -51.7 -18.1 31.4 -20.5 90 90 A L H 3< S+ 0 0 79 -4,-1.8 3,-0.4 1,-0.3 -1,-0.2 0.803 112.2 49.5 -64.0 -31.5 -19.4 32.3 -17.1 91 91 A F T 3X S+ 0 0 0 -4,-2.1 4,-2.6 1,-0.2 -1,-0.3 0.351 81.7 100.9 -88.2 7.9 -17.4 29.4 -15.4 92 92 A T H <> S+ 0 0 45 -3,-1.6 4,-1.9 -4,-0.3 -1,-0.2 0.874 78.0 53.0 -61.4 -41.6 -14.1 30.4 -17.3 93 93 A G H > S+ 0 0 50 -3,-0.4 4,-2.0 -4,-0.3 -1,-0.2 0.860 113.4 42.6 -61.3 -38.7 -12.6 32.2 -14.2 94 94 A I H > S+ 0 0 34 -3,-0.2 4,-2.5 -4,-0.2 8,-0.3 0.882 110.8 56.1 -77.4 -40.7 -13.2 29.1 -12.0 95 95 A F H <>S+ 0 0 34 -4,-2.6 5,-2.1 8,-0.2 -2,-0.2 0.891 112.8 42.9 -52.3 -43.5 -11.9 26.7 -14.7 96 96 A E H ><5S+ 0 0 137 -4,-1.9 3,-0.9 -5,-0.2 -2,-0.2 0.915 117.1 44.1 -75.9 -42.5 -8.7 28.7 -14.8 97 97 A S H 3<5S+ 0 0 95 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.767 109.6 57.2 -73.4 -25.0 -8.2 29.2 -11.1 98 98 A S T ><5S- 0 0 26 -4,-2.5 3,-1.4 4,-0.1 -1,-0.2 0.220 114.3-108.4 -91.5 15.2 -9.1 25.5 -10.3 99 99 A N T < 5S- 0 0 130 -3,-0.9 -3,-0.2 1,-0.2 -2,-0.1 0.817 74.2 -61.7 53.8 35.7 -6.4 23.9 -12.5 100 100 A G T 3 - 0 0 23 -2,-0.2 3,-1.9 1,-0.2 -1,-0.1 -0.431 43.4-143.5 -64.9 118.7 -28.0 11.2 -27.2 111 111 A P G > S+ 0 0 2 0, 0.0 3,-1.1 0, 0.0 234,-0.2 0.689 95.1 68.7 -54.2 -22.5 -29.1 8.6 -24.7 112 112 A R G 3 S+ 0 0 113 1,-0.2 3,-0.3 2,-0.1 -2,-0.1 0.719 96.4 52.3 -73.7 -21.0 -30.5 6.4 -27.5 113 113 A I G X S+ 0 0 37 -3,-1.9 3,-2.0 1,-0.2 7,-0.3 0.176 73.6 115.1 -97.2 19.3 -27.0 5.6 -28.8 114 114 A S T < S+ 0 0 11 -3,-1.1 32,-1.3 1,-0.3 33,-0.2 0.675 75.7 49.2 -70.8 -17.1 -25.6 4.5 -25.4 115 115 A A T 3 S+ 0 0 80 -3,-0.3 2,-0.8 30,-0.2 -1,-0.3 0.402 96.5 86.8 -93.3 3.7 -25.0 0.8 -26.6 116 116 A D <> - 0 0 77 -3,-2.0 4,-2.9 1,-0.2 5,-0.3 -0.807 53.7-175.8-113.1 92.8 -23.2 2.1 -29.7 117 117 A R H > S+ 0 0 104 -2,-0.8 4,-2.6 1,-0.2 5,-0.2 0.914 85.2 47.0 -48.5 -53.0 -19.5 2.7 -29.1 118 118 A D H > S+ 0 0 128 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.937 116.0 42.8 -58.5 -52.3 -18.9 4.2 -32.6 119 119 A A H > S+ 0 0 31 2,-0.2 4,-2.7 1,-0.2 -1,-0.2 0.854 112.5 53.6 -65.7 -39.6 -21.8 6.5 -32.6 120 120 A T H X S+ 0 0 0 -4,-2.9 4,-2.0 -7,-0.3 -1,-0.2 0.940 112.0 45.3 -58.8 -47.6 -21.2 7.6 -29.0 121 121 A L H X S+ 0 0 23 -4,-2.6 4,-2.4 -5,-0.3 5,-0.2 0.943 112.0 52.0 -61.4 -48.8 -17.6 8.5 -29.9 122 122 A A H X S+ 0 0 46 -4,-2.8 4,-2.2 1,-0.2 -2,-0.2 0.949 113.1 43.5 -53.6 -54.0 -18.7 10.3 -33.1 123 123 A Q H X S+ 0 0 37 -4,-2.7 4,-2.6 1,-0.2 -1,-0.2 0.781 109.4 58.1 -65.9 -28.1 -21.2 12.4 -31.3 124 124 A A H X S+ 0 0 0 -4,-2.0 4,-2.7 2,-0.2 -1,-0.2 0.933 109.7 43.9 -64.0 -46.7 -18.7 13.1 -28.4 125 125 A K H X S+ 0 0 87 -4,-2.4 4,-2.7 2,-0.2 -2,-0.2 0.884 114.0 51.6 -62.1 -42.3 -16.3 14.6 -31.0 126 126 A E H X S+ 0 0 114 -4,-2.2 4,-2.8 -5,-0.2 -2,-0.2 0.927 113.2 42.6 -61.6 -51.4 -19.2 16.5 -32.6 127 127 A L H X S+ 0 0 2 -4,-2.6 4,-2.8 2,-0.2 5,-0.4 0.937 113.9 53.5 -59.8 -47.5 -20.4 18.0 -29.3 128 128 A W H X S+ 0 0 67 -4,-2.7 4,-1.6 -5,-0.2 5,-0.4 0.927 114.9 39.9 -53.7 -48.9 -16.8 18.7 -28.3 129 129 A A H < S+ 0 0 66 -4,-2.7 -1,-0.2 2,-0.2 -2,-0.2 0.888 116.2 50.3 -71.3 -38.8 -16.1 20.6 -31.5 130 130 A K H < S+ 0 0 112 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.963 111.2 45.8 -65.1 -53.0 -19.5 22.4 -31.7 131 131 A V H < S- 0 0 0 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.916 86.0-169.9 -56.9 -43.8 -19.5 23.8 -28.1 132 132 A D < + 0 0 115 -4,-1.6 -3,-0.1 -5,-0.4 -4,-0.1 0.905 38.6 122.4 52.0 50.5 -15.9 24.9 -28.7 133 133 A R > - 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