==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAY-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 22-OCT-10 3PDB . COMPND 2 MOLECULE: ASPARTATE AMINOTRANSFERASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: MUS MUSCULUS; . AUTHOR Q.HAN,H.ROBINSON,T.CAI,D.A.TAGLE,J.LI . 1604 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 61304.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1164 72.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 96 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 86 5.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 0.5 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 0.1 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 . 110 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 147 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 636 39.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 30 1.9 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 6 6 0 4 5 3 3 9 9 5 1 1 4 0 0 4 0 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 8 0 4 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 0 PARALLEL BRIDGES PER LADDER . 1 4 4 0 4 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 ANTIPARALLEL BRIDGES PER LADDER . 12 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 30 A S 0 0 160 0, 0.0 2,-0.3 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0-139.2 -44.1 1.7 -56.2 2 31 A S > - 0 0 19 1,-0.0 3,-0.9 666,-0.0 4,-0.2 -0.980 360.0-113.3-147.9 152.9 -43.0 -1.7 -54.8 3 32 A W T 3 S+ 0 0 29 -2,-0.3 3,-0.2 1,-0.2 -1,-0.0 0.779 115.3 36.2 -49.6 -27.7 -42.5 -3.1 -51.3 4 33 A W T > S+ 0 0 2 1,-0.1 3,-0.9 2,-0.1 -1,-0.2 0.082 71.1 113.8-128.5 25.6 -38.7 -3.4 -52.1 5 34 A T T < S+ 0 0 92 -3,-0.9 -1,-0.1 1,-0.2 -2,-0.1 0.761 84.5 51.9 -68.7 -26.0 -37.5 -0.5 -54.2 6 35 A H T 3 S+ 0 0 67 -4,-0.2 2,-0.6 -3,-0.2 -1,-0.2 0.532 81.0 109.1 -91.2 -8.6 -35.3 0.7 -51.3 7 36 A V < - 0 0 0 -3,-0.9 2,-0.2 1,-0.0 670,-0.1 -0.596 65.8-141.3 -69.7 111.4 -33.6 -2.7 -50.8 8 37 A E - 0 0 154 -2,-0.6 2,-0.2 1,-0.1 -2,-0.1 -0.477 16.7-105.5 -78.6 143.4 -30.1 -2.2 -52.0 9 38 A M - 0 0 98 -2,-0.2 667,-0.1 670,-0.1 -1,-0.1 -0.495 46.0-124.4 -51.3 128.7 -28.0 -4.7 -53.9 10 39 A G - 0 0 12 666,-0.3 3,-0.1 -2,-0.2 -1,-0.1 -0.372 32.1 -82.6 -79.3 163.4 -25.5 -6.1 -51.3 11 40 A P - 0 0 107 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.234 53.8 -92.2 -64.7 152.9 -21.7 -6.0 -51.8 12 41 A P - 0 0 121 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.337 37.2-114.3 -59.8 143.4 -19.9 -8.8 -53.8 13 42 A D > - 0 0 77 1,-0.2 4,-1.9 -3,-0.1 5,-0.1 -0.745 27.2-157.1 -73.5 114.7 -18.7 -11.8 -51.9 14 43 A P H > S+ 0 0 98 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.942 88.7 51.3 -69.7 -43.3 -14.9 -11.5 -52.3 15 44 A I H > S+ 0 0 71 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.928 112.1 48.0 -54.3 -46.8 -14.0 -15.2 -51.7 16 45 A L H > S+ 0 0 74 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.847 107.7 57.3 -61.7 -34.3 -16.7 -16.2 -54.3 17 46 A G H X S+ 0 0 34 -4,-1.9 4,-2.7 2,-0.2 5,-0.2 0.944 107.9 46.1 -57.9 -46.7 -15.2 -13.6 -56.7 18 47 A V H X S+ 0 0 27 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.919 113.7 49.4 -63.2 -45.7 -11.8 -15.3 -56.5 19 48 A T H X S+ 0 0 29 -4,-2.2 4,-1.4 2,-0.2 -1,-0.2 0.853 112.9 45.6 -64.8 -39.8 -13.3 -18.7 -57.0 20 49 A E H X S+ 0 0 85 -4,-2.5 4,-1.8 2,-0.2 -2,-0.2 0.925 112.5 50.1 -69.7 -45.8 -15.4 -17.7 -60.0 21 50 A A H X S+ 0 0 27 -4,-2.7 4,-1.6 1,-0.2 3,-0.3 0.930 109.0 53.9 -57.5 -44.8 -12.5 -15.8 -61.7 22 51 A F H < S+ 0 0 38 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.889 107.9 50.1 -52.4 -42.4 -10.4 -19.0 -61.0 23 52 A K H < S+ 0 0 142 -4,-1.4 -1,-0.2 1,-0.2 -2,-0.2 0.807 108.1 52.4 -73.2 -28.0 -13.1 -21.0 -62.9 24 53 A R H < S+ 0 0 168 -4,-1.8 -1,-0.2 -3,-0.3 -2,-0.2 0.782 87.6 102.7 -71.1 -30.1 -13.1 -18.6 -65.9 25 54 A D < - 0 0 35 -4,-1.6 5,-0.1 -5,-0.2 -3,-0.0 -0.326 51.2-169.0 -65.3 134.8 -9.3 -18.9 -66.3 26 55 A T + 0 0 138 -2,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.318 46.7 123.7-108.7 3.7 -8.2 -21.2 -69.1 27 56 A N > - 0 0 51 1,-0.2 3,-1.3 2,-0.1 -2,-0.0 -0.538 57.4-147.3 -60.8 124.6 -4.5 -21.3 -68.0 28 57 A S T 3 S+ 0 0 114 -2,-0.3 -1,-0.2 1,-0.3 342,-0.0 0.712 96.3 57.9 -72.1 -24.5 -3.7 -24.9 -67.5 29 58 A K T 3 S+ 0 0 123 2,-0.0 -1,-0.3 362,-0.0 -2,-0.1 0.278 81.2 137.9 -84.7 9.4 -1.3 -24.0 -64.6 30 59 A K < - 0 0 62 -3,-1.3 2,-0.4 341,-0.1 341,-0.2 -0.178 35.2-162.6 -60.6 150.4 -4.1 -22.3 -62.7 31 60 A M E -a 371 0A 4 339,-2.5 341,-2.7 338,-0.0 2,-0.9 -0.998 14.2-146.9-133.9 136.0 -4.4 -22.9 -58.9 32 61 A N E > +a 372 0A 29 -2,-0.4 3,-0.7 351,-0.3 341,-0.1 -0.782 29.5 158.3 -99.7 91.8 -7.4 -22.2 -56.6 33 62 A L T 3 + 0 0 0 339,-1.9 347,-1.6 -2,-0.9 341,-0.3 0.076 67.9 74.2-100.1 23.1 -6.0 -21.1 -53.2 34 63 A G T 3 + 0 0 1 339,-0.2 -1,-0.2 345,-0.2 -15,-0.1 0.457 66.6 125.4 -99.9 -10.2 -9.3 -19.5 -52.4 35 64 A V < - 0 0 13 -3,-0.7 347,-0.2 345,-0.2 348,-0.2 -0.233 50.0-154.2 -63.1 134.6 -11.1 -22.9 -51.8 36 65 A G + 0 0 32 2,-0.1 2,-0.3 346,-0.1 -1,-0.1 -0.073 68.5 53.0-102.2 32.4 -12.8 -23.2 -48.4 37 66 A A S S- 0 0 3 314,-0.1 213,-0.1 431,-0.0 431,-0.0 -0.985 92.8 -76.8-158.7 158.8 -12.7 -27.0 -48.0 38 67 A Y - 0 0 16 -2,-0.3 8,-0.4 8,-0.1 2,-0.3 -0.297 41.2-171.3 -59.0 141.2 -10.3 -29.9 -48.1 39 68 A R - 0 0 46 6,-0.1 345,-0.1 343,-0.1 4,-0.0 -0.969 19.1-123.3-130.8 147.5 -9.1 -31.2 -51.5 40 69 A D > - 0 0 40 4,-2.4 3,-2.6 -2,-0.3 6,-0.0 -0.107 45.1 -79.8 -80.8-174.8 -7.1 -34.3 -52.1 41 70 A D T 3 S+ 0 0 55 1,-0.3 346,-0.5 2,-0.1 345,-0.3 0.568 134.1 48.7 -73.5 -7.5 -3.6 -34.6 -53.8 42 71 A N T 3 S- 0 0 129 2,-0.1 -1,-0.3 343,-0.1 343,-0.1 0.070 123.1-105.3-103.9 17.1 -5.4 -34.3 -57.2 43 72 A G S < S+ 0 0 39 -3,-2.6 -2,-0.1 1,-0.2 342,-0.0 0.798 76.6 134.1 66.9 31.1 -7.5 -31.3 -56.1 44 73 A K - 0 0 128 1,-0.1 -4,-2.4 0, 0.0 -1,-0.2 -0.757 63.4 -94.7-109.8 155.2 -10.7 -33.3 -55.7 45 74 A P - 0 0 46 0, 0.0 2,-0.5 0, 0.0 -6,-0.1 -0.322 40.6-143.3 -55.9 152.5 -13.4 -33.4 -53.0 46 75 A Y - 0 0 66 -8,-0.4 2,-0.7 -6,-0.0 -8,-0.1 -0.943 15.3-168.1-130.7 110.0 -12.8 -36.2 -50.5 47 76 A V - 0 0 28 -2,-0.5 206,-0.1 207,-0.0 5,-0.1 -0.885 37.4-118.2 -91.6 115.0 -15.6 -38.2 -48.9 48 77 A L > - 0 0 1 -2,-0.7 4,-1.9 204,-0.4 3,-0.4 -0.237 12.5-130.4 -51.9 137.3 -13.9 -40.1 -46.1 49 78 A P H > S+ 0 0 57 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.841 110.4 58.1 -60.9 -28.3 -14.2 -43.9 -46.7 50 79 A S H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.848 102.2 53.6 -67.8 -31.0 -15.4 -44.1 -43.1 51 80 A V H > S+ 0 0 1 -3,-0.4 4,-2.9 2,-0.2 5,-0.2 0.969 108.8 48.5 -66.9 -46.7 -18.2 -41.8 -43.9 52 81 A R H X S+ 0 0 74 -4,-1.9 4,-2.6 1,-0.2 -2,-0.2 0.924 112.7 48.7 -55.1 -50.0 -19.2 -44.1 -46.9 53 82 A K H X S+ 0 0 110 -4,-2.5 4,-1.9 2,-0.2 -1,-0.2 0.903 111.9 49.1 -56.2 -43.3 -19.1 -47.1 -44.5 54 83 A A H X S+ 0 0 0 -4,-2.4 4,-2.2 1,-0.2 -2,-0.2 0.913 112.4 48.3 -65.5 -44.2 -21.2 -45.3 -41.9 55 84 A E H X S+ 0 0 43 -4,-2.9 4,-2.5 2,-0.2 -1,-0.2 0.905 109.6 52.1 -58.4 -45.8 -23.8 -44.3 -44.5 56 85 A A H X S+ 0 0 67 -4,-2.6 4,-2.4 1,-0.2 -2,-0.2 0.906 110.8 48.4 -58.0 -43.5 -24.0 -47.8 -45.9 57 86 A Q H < S+ 0 0 79 -4,-1.9 4,-0.3 2,-0.2 -1,-0.2 0.886 110.0 50.0 -70.3 -42.9 -24.6 -49.2 -42.5 58 87 A I H ><>S+ 0 0 20 -4,-2.2 3,-1.7 2,-0.2 5,-0.6 0.912 109.9 52.4 -54.2 -47.4 -27.4 -46.6 -41.7 59 88 A A H ><5S+ 0 0 73 -4,-2.5 3,-1.9 1,-0.3 -2,-0.2 0.934 103.5 58.3 -58.9 -45.8 -29.1 -47.4 -45.0 60 89 A A T 3<5S+ 0 0 89 -4,-2.4 -1,-0.3 1,-0.3 -2,-0.2 0.597 99.0 60.0 -55.6 -15.3 -29.0 -51.1 -44.0 61 90 A K T < 5S- 0 0 123 -3,-1.7 -1,-0.3 -4,-0.3 -2,-0.2 0.518 95.8-140.3 -97.1 -5.1 -31.0 -50.2 -40.9 62 91 A N T < 5 - 0 0 120 -3,-1.9 -3,-0.1 -4,-0.4 -2,-0.1 0.904 33.4-172.2 50.0 54.2 -34.0 -48.8 -42.8 63 92 A L < - 0 0 55 -5,-0.6 -1,-0.1 1,-0.1 -2,-0.0 -0.323 20.3-113.7 -83.4 160.2 -34.6 -45.9 -40.5 64 93 A D - 0 0 64 1,-0.1 -1,-0.1 -2,-0.1 385,-0.0 -0.112 14.6-131.2 -74.8 178.8 -37.5 -43.4 -40.3 65 94 A K + 0 0 9 590,-0.2 593,-3.0 2,-0.0 594,-0.3 -0.049 51.9 149.7-121.4 29.3 -37.1 -39.6 -41.0 66 95 A E - 0 0 22 591,-0.2 2,-0.1 1,-0.1 226,-0.1 -0.102 55.4 -80.1 -67.3 162.3 -38.9 -38.4 -37.9 67 96 A Y - 0 0 85 590,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.404 40.2-136.5 -57.8 134.1 -38.2 -35.1 -36.1 68 97 A L - 0 0 16 222,-0.4 5,-0.1 1,-0.2 -1,-0.1 -0.467 38.0 -87.2 -74.0 159.4 -35.2 -35.1 -33.7 69 98 A P > - 0 0 88 0, 0.0 3,-2.5 0, 0.0 -1,-0.2 -0.238 48.1 -97.1 -57.1 161.4 -35.7 -33.4 -30.3 70 99 A I T 3 S+ 0 0 28 1,-0.3 3,-0.1 219,-0.2 -2,-0.1 0.882 129.6 50.1 -49.6 -40.5 -35.0 -29.6 -30.4 71 100 A G T 3 S- 0 0 14 1,-0.3 30,-2.2 218,-0.1 -1,-0.3 0.337 111.2-131.8 -82.4 4.7 -31.5 -30.5 -29.1 72 101 A G < + 0 0 3 -3,-2.5 2,-0.6 28,-0.2 -1,-0.3 -0.314 57.0 0.4 85.0-164.0 -30.9 -33.1 -31.7 73 102 A L > - 0 0 28 1,-0.2 4,-2.7 -5,-0.1 3,-0.5 -0.541 58.4-150.3 -70.5 110.8 -29.6 -36.7 -31.5 74 103 A A H > S+ 0 0 80 -2,-0.6 4,-2.2 1,-0.2 -1,-0.2 0.882 95.8 46.7 -46.5 -47.3 -29.0 -37.5 -27.9 75 104 A E H > S+ 0 0 109 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.832 110.3 51.6 -78.2 -25.9 -26.2 -40.0 -28.7 76 105 A F H > S+ 0 0 0 -3,-0.5 4,-2.2 2,-0.2 -1,-0.2 0.883 110.4 51.7 -67.9 -41.7 -24.5 -37.6 -31.2 77 106 A C H X S+ 0 0 12 -4,-2.7 4,-2.0 2,-0.2 -2,-0.2 0.925 111.2 46.0 -58.5 -47.9 -24.6 -35.0 -28.5 78 107 A K H X S+ 0 0 123 -4,-2.2 4,-2.1 -5,-0.2 3,-0.3 0.978 114.9 46.2 -60.6 -53.7 -23.0 -37.3 -25.9 79 108 A A H X S+ 0 0 3 -4,-2.3 4,-2.2 1,-0.3 -1,-0.2 0.847 109.5 55.7 -63.0 -30.3 -20.3 -38.5 -28.3 80 109 A S H X S+ 0 0 0 -4,-2.2 4,-2.1 1,-0.2 -1,-0.3 0.922 108.4 47.1 -68.5 -40.6 -19.6 -35.0 -29.5 81 110 A A H X S+ 0 0 1 -4,-2.0 4,-2.7 -3,-0.3 5,-0.2 0.879 111.2 51.5 -68.0 -36.8 -18.9 -33.8 -25.9 82 111 A E H X S+ 0 0 57 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.866 108.6 52.4 -67.8 -36.0 -16.7 -36.9 -25.2 83 112 A L H < S+ 0 0 13 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.938 115.0 41.2 -63.5 -47.3 -14.7 -36.1 -28.4 84 113 A A H < S+ 0 0 0 -4,-2.1 -2,-0.2 1,-0.2 -1,-0.2 0.894 126.4 30.7 -68.2 -42.4 -14.1 -32.5 -27.3 85 114 A L H < S- 0 0 6 -4,-2.7 -2,-0.2 -5,-0.2 -3,-0.2 0.636 111.3-102.9 -98.6 -12.0 -13.4 -33.2 -23.6 86 115 A G >< - 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0 0 4 0, 0.0 4,-0.6 0, 0.0 368,-0.2 -0.402 29.4-153.0 -74.4 142.7 -31.1 -32.3 -39.5 292 321 A L H > S+ 0 0 4 366,-2.1 4,-2.7 -2,-0.1 5,-0.2 0.830 75.6 69.1 -82.3 -41.2 -30.9 -35.9 -39.0 293 322 A N H > S+ 0 0 18 1,-0.2 4,-2.0 2,-0.2 -1,-0.1 0.865 103.8 37.4 -62.6 -54.1 -28.6 -37.3 -41.7 294 323 A G H > S+ 0 0 1 -37,-0.4 4,-2.7 2,-0.2 -1,-0.2 0.879 115.1 55.6 -60.6 -42.2 -25.2 -35.9 -40.8 295 324 A A H X S+ 0 0 0 -4,-0.6 4,-2.9 2,-0.2 -2,-0.2 0.908 107.8 49.7 -59.4 -39.9 -25.8 -36.4 -37.1 296 325 A R H X S+ 0 0 37 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.949 111.6 48.9 -63.0 -47.4 -26.6 -40.1 -37.7 297 326 A I H X S+ 0 0 0 -4,-2.0 4,-2.2 -5,-0.2 -2,-0.2 0.892 114.1 45.1 -58.1 -43.3 -23.3 -40.4 -39.7 298 327 A A H X S+ 0 0 0 -4,-2.7 4,-3.1 2,-0.2 5,-0.3 0.962 112.2 49.6 -70.7 -47.5 -21.3 -38.7 -37.0 299 328 A A H X S+ 0 0 2 -4,-2.9 4,-2.8 1,-0.2 -2,-0.2 0.925 111.0 52.7 -53.4 -45.3 -22.9 -40.7 -34.1 300 329 A T H X S+ 0 0 20 -4,-2.6 4,-0.5 -5,-0.2 -1,-0.2 0.937 113.2 42.2 -56.8 -52.4 -22.2 -43.9 -36.0 301 330 A I H >< S+ 0 0 0 -4,-2.2 3,-1.1 -5,-0.2 7,-0.3 0.955 116.0 48.2 -58.9 -50.0 -18.5 -43.1 -36.5 302 331 A L H 3< S+ 0 0 6 -4,-3.1 -2,-0.2 1,-0.2 -1,-0.2 0.884 114.0 45.1 -66.8 -35.5 -17.9 -41.9 -33.0 303 332 A T H 3< S+ 0 0 75 -4,-2.8 -1,-0.2 -5,-0.3 -2,-0.2 0.305 97.7 78.1 -96.7 10.6 -19.6 -44.8 -31.2 304 333 A S S+ 0 0 103 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.846 96.7 45.6 -54.2 -38.9 -14.5 -48.6 -32.3 306 335 A D H > S+ 0 0 126 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.964 116.0 43.3 -73.1 -49.1 -13.6 -49.7 -35.8 307 336 A L H > S+ 0 0 8 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.894 115.3 51.0 -61.6 -40.5 -15.2 -46.8 -37.6 308 337 A R H X S+ 0 0 74 -4,-3.2 4,-3.0 -7,-0.3 -1,-0.2 0.932 110.3 48.1 -61.1 -46.7 -13.7 -44.4 -35.1 309 338 A K H X S+ 0 0 142 -4,-2.2 4,-1.2 -5,-0.3 -2,-0.2 0.894 115.5 46.0 -60.6 -40.9 -10.2 -45.9 -35.4 310 339 A Q H >X S+ 0 0 43 -4,-2.4 4,-2.4 2,-0.2 3,-0.6 0.947 111.3 50.7 -68.8 -51.0 -10.5 -45.7 -39.2 311 340 A W H 3X S+ 0 0 4 -4,-3.1 4,-2.7 1,-0.2 5,-0.2 0.910 106.9 55.6 -50.7 -47.1 -11.9 -42.1 -39.1 312 341 A L H 3X S+ 0 0 67 -4,-3.0 4,-1.7 1,-0.2 -1,-0.2 0.846 107.7 48.1 -60.9 -30.1 -9.0 -41.1 -36.9 313 342 A Q H S+ 0 0 0 -4,-1.9 5,-2.1 -5,-0.2 4,-0.3 0.917 107.7 46.4 -58.1 -40.5 11.2 -21.5 -51.9 334 363 A K H ><5S+ 0 0 146 -4,-1.8 3,-2.2 -3,-0.2 -2,-0.2 0.940 110.3 52.4 -64.7 -48.5 14.7 -22.1 -50.7 335 364 A K H 3<5S+ 0 0 156 -4,-2.4 -2,-0.2 1,-0.3 -1,-0.2 0.865 104.6 57.9 -57.0 -33.7 15.5 -24.2 -53.9 336 365 A E T 3<5S- 0 0 69 -4,-2.6 -1,-0.3 -5,-0.2 -2,-0.2 0.650 121.2-110.1 -70.5 -10.6 14.3 -21.2 -55.9 337 366 A G T < 5 + 0 0 54 -3,-2.2 -3,-0.2 -4,-0.3 2,-0.2 0.673 58.4 162.9 88.8 18.2 16.9 -19.0 -54.1 338 367 A S < - 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0 0 5 0, 0.0 4,-0.6 0, 0.0 -436,-0.2 -0.347 26.6-146.4 -71.4 147.4 -28.2 -29.1 -45.5 694 321 B L H > S+ 0 0 3 -438,-1.9 4,-1.7 1,-0.1 5,-0.2 0.812 79.8 68.8 -74.1 -41.4 -27.7 -31.3 -48.7 695 322 B N H > S+ 0 0 24 2,-0.2 4,-2.1 1,-0.2 3,-0.2 0.909 102.4 37.5 -60.6 -56.1 -29.6 -34.5 -48.0 696 323 B G H > S+ 0 0 1 -37,-0.5 4,-2.9 1,-0.2 5,-0.3 0.963 116.4 51.8 -59.7 -56.8 -33.3 -33.5 -48.0 697 324 B A H X S+ 0 0 1 -4,-0.6 4,-1.9 1,-0.2 -1,-0.2 0.759 108.3 52.9 -51.4 -30.8 -33.0 -31.0 -50.8 698 325 B R H X S+ 0 0 35 -4,-1.7 4,-2.4 -3,-0.2 -1,-0.2 0.949 111.4 46.2 -73.7 -45.0 -31.3 -33.7 -52.9 699 326 B I H X S+ 0 0 1 -4,-2.1 4,-2.2 2,-0.2 -2,-0.2 0.942 116.0 44.4 -53.7 -56.4 -34.2 -36.1 -52.3 700 327 B A H X S+ 0 0 0 -4,-2.9 4,-2.5 1,-0.2 -1,-0.2 0.862 113.8 50.3 -61.2 -38.7 -36.9 -33.4 -53.0 701 328 B A H X S+ 0 0 1 -4,-1.9 4,-2.1 -5,-0.3 -1,-0.2 0.936 110.0 50.5 -64.9 -43.6 -35.1 -32.1 -56.1 702 329 B T H < S+ 0 0 19 -4,-2.4 4,-0.3 2,-0.2 -2,-0.2 0.907 114.0 44.8 -61.3 -44.2 -34.7 -35.7 -57.5 703 330 B I H >< S+ 0 0 0 -4,-2.2 3,-1.4 1,-0.2 7,-0.3 0.973 114.8 47.1 -64.0 -53.2 -38.5 -36.4 -56.9 704 331 B L H 3< S+ 0 0 7 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.762 112.6 47.6 -64.2 -30.9 -39.7 -33.0 -58.4 705 332 B T T 3< S+ 0 0 79 -4,-2.1 -1,-0.3 -5,-0.2 -2,-0.2 0.273 95.9 79.7 -98.3 9.2 -37.5 -33.1 -61.5 706 333 B S <> - 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