==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-OCT-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 30-JUN-10 2XIJ . COMPND 2 MOLECULE: METHYLMALONYL-COA MUTASE, MITOCHONDRIAL; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR W.W.YUE,D.S.FROESE,G.KOCHAN,A.CHAIKUAD,T.KROJER,J.MUNIZ,M.VO . 710 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30014.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 482 67.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 53 7.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.4 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 34 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 68 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 294 41.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 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 2 1 2 3 0 0 3 0 2 1 2 1 0 5 1 1 0 1 0 2 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 3 2 2 4 1 1 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 1 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 . 1 0 1 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 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 36 A Q 0 0 145 0, 0.0 41,-0.0 0, 0.0 397,-0.0 0.000 360.0 360.0 360.0 96.0 33.7 -6.6 -14.9 2 37 A Q - 0 0 106 40,-0.1 3,-0.1 1,-0.1 40,-0.0 -0.329 360.0-111.9 -66.9 149.8 35.2 -8.9 -12.3 3 38 A P - 0 0 91 0, 0.0 -1,-0.1 0, 0.0 32,-0.0 -0.222 51.8 -68.1 -70.3 171.1 34.3 -12.6 -12.4 4 39 A L - 0 0 18 1,-0.1 34,-0.1 2,-0.1 18,-0.0 -0.369 66.3 -92.8 -52.2 136.8 32.2 -14.2 -9.7 5 40 A H > - 0 0 28 32,-0.3 4,-3.0 1,-0.2 3,-0.2 -0.433 38.2-142.2 -52.5 116.0 34.2 -14.2 -6.4 6 41 A P H > S+ 0 0 85 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.860 98.2 49.9 -62.6 -37.0 35.8 -17.7 -6.7 7 42 A E H > S+ 0 0 136 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.890 113.8 46.8 -64.0 -40.0 35.5 -18.5 -3.0 8 43 A W H > S+ 0 0 63 -3,-0.2 4,-2.7 2,-0.2 5,-0.2 0.926 110.6 51.9 -66.8 -45.3 31.9 -17.4 -3.1 9 44 A A H X S+ 0 0 19 -4,-3.0 4,-2.0 2,-0.2 -2,-0.2 0.934 108.6 50.6 -56.5 -46.8 31.2 -19.5 -6.2 10 45 A A H X S+ 0 0 60 -4,-2.5 4,-1.7 1,-0.2 -1,-0.2 0.937 111.5 49.5 -58.9 -42.1 32.7 -22.6 -4.6 11 46 A L H X S+ 0 0 102 -4,-2.0 4,-2.5 1,-0.2 -2,-0.2 0.906 108.3 51.8 -62.2 -42.4 30.5 -22.0 -1.6 12 47 A A H X S+ 0 0 8 -4,-2.7 4,-2.8 1,-0.2 -1,-0.2 0.811 108.9 51.8 -63.5 -32.1 27.4 -21.6 -3.8 13 48 A K H < S+ 0 0 92 -4,-2.0 5,-0.3 -5,-0.2 -1,-0.2 0.799 108.1 51.4 -74.5 -30.0 28.4 -24.9 -5.4 14 49 A K H < S+ 0 0 123 -4,-1.7 3,-0.3 -5,-0.2 -2,-0.2 0.888 115.8 41.9 -66.4 -40.7 28.6 -26.5 -1.9 15 50 A Q H < S+ 0 0 161 -4,-2.5 2,-0.6 1,-0.3 -2,-0.2 0.910 124.3 35.9 -72.5 -44.9 25.0 -25.1 -1.2 16 51 A L S >< S- 0 0 68 -4,-2.8 3,-2.0 -5,-0.2 -1,-0.3 -0.817 89.3-146.7-112.3 91.1 23.6 -26.0 -4.6 17 52 A K T 3 S+ 0 0 116 -2,-0.6 -3,-0.1 -3,-0.3 3,-0.1 -0.299 78.9 6.0 -66.2 128.9 25.1 -29.3 -5.6 18 53 A G T 3 S+ 0 0 77 -5,-0.3 2,-0.4 1,-0.3 -1,-0.3 0.456 100.1 127.4 85.2 1.7 25.6 -29.6 -9.4 19 54 A K < - 0 0 80 -3,-2.0 -1,-0.3 -6,-0.2 -3,-0.1 -0.754 60.1-128.8-101.3 137.6 24.5 -26.1 -10.1 20 55 A N > - 0 0 75 -2,-0.4 3,-2.6 1,-0.2 4,-0.3 -0.725 11.2-150.5 -79.1 114.6 26.5 -23.5 -12.1 21 56 A P G > S+ 0 0 9 0, 0.0 3,-1.9 0, 0.0 -1,-0.2 0.774 95.4 69.4 -60.5 -22.2 26.7 -20.3 -10.1 22 57 A E G > S+ 0 0 111 1,-0.3 3,-1.6 2,-0.2 -2,-0.0 0.737 83.1 71.6 -68.7 -18.3 26.8 -18.4 -13.4 23 58 A D G < S+ 0 0 96 -3,-2.6 -1,-0.3 1,-0.3 -3,-0.0 0.655 90.8 61.5 -61.7 -20.0 23.1 -19.5 -13.8 24 59 A L G < S+ 0 0 68 -3,-1.9 2,-0.4 -4,-0.3 -1,-0.3 0.408 76.0 111.7 -92.0 0.9 22.4 -16.9 -11.0 25 60 A I < - 0 0 32 -3,-1.6 2,-0.8 10,-0.1 10,-0.2 -0.622 69.2-132.8 -74.7 127.5 23.8 -14.0 -13.1 26 61 A W E -A 34 0A 110 8,-2.9 8,-2.8 -2,-0.4 2,-1.2 -0.777 13.2-160.0 -88.5 109.4 20.9 -11.7 -13.9 27 62 A H E -A 33 0A 131 -2,-0.8 6,-0.2 6,-0.2 -1,-0.0 -0.751 22.4-150.3 -89.2 93.8 20.9 -10.9 -17.6 28 63 A T > - 0 0 7 4,-2.2 3,-2.3 -2,-1.2 -2,-0.0 -0.181 23.9-115.1 -68.2 156.5 18.8 -7.7 -17.5 29 64 A P T 3 S+ 0 0 53 0, 0.0 -1,-0.1 0, 0.0 208,-0.1 0.843 117.6 66.3 -56.3 -28.9 16.6 -6.5 -20.4 30 65 A E T 3 S- 0 0 36 2,-0.1 3,-0.1 1,-0.1 -2,-0.1 0.616 118.6-113.4 -64.7 -17.3 18.9 -3.6 -20.4 31 66 A G S < S+ 0 0 66 -3,-2.3 2,-0.4 1,-0.3 -1,-0.1 0.522 76.7 128.5 89.9 7.8 21.8 -5.9 -21.5 32 67 A I - 0 0 12 2,-0.0 -4,-2.2 371,-0.0 2,-0.6 -0.831 56.2-135.7 -94.8 129.8 23.7 -5.4 -18.2 33 68 A S E -A 27 0A 60 -2,-0.4 2,-0.6 -6,-0.2 -6,-0.2 -0.784 16.8-162.2 -82.8 118.4 24.8 -8.5 -16.3 34 69 A I E -A 26 0A 9 -8,-2.8 -8,-2.9 -2,-0.6 361,-0.0 -0.917 15.6-136.3-103.1 118.0 24.0 -8.2 -12.6 35 70 A K - 0 0 25 -2,-0.6 -10,-0.1 -10,-0.2 3,-0.1 -0.321 13.0-126.1 -68.8 153.8 26.0 -10.7 -10.5 36 71 A P S S+ 0 0 53 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.603 95.3 23.1 -75.5 -11.3 24.3 -12.5 -7.7 37 72 A L - 0 0 57 357,-0.0 -32,-0.3 358,-0.0 2,-0.3 -0.930 64.4-168.9-157.7 128.0 27.0 -11.3 -5.2 38 73 A Y - 0 0 23 -2,-0.3 2,-0.3 -3,-0.1 357,-0.2 -0.848 14.5-177.1-113.7 157.7 29.5 -8.4 -5.2 39 74 A S > - 0 0 20 -2,-0.3 3,-2.4 355,-0.1 4,-0.4 -0.843 45.4 -75.2-147.1 176.6 32.4 -7.9 -2.8 40 75 A K G > S+ 0 0 138 1,-0.3 3,-1.3 -2,-0.3 4,-0.1 0.800 122.1 60.9 -47.9 -38.8 35.2 -5.7 -1.7 41 76 A R G > S+ 0 0 120 1,-0.2 3,-0.6 2,-0.2 -1,-0.3 0.675 92.0 67.8 -70.5 -15.9 37.3 -6.6 -4.8 42 77 A D G < S+ 0 0 22 -3,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.625 109.9 33.1 -74.5 -16.2 34.6 -5.2 -7.2 43 78 A T G X S+ 0 0 24 -3,-1.3 3,-1.2 -4,-0.4 -1,-0.2 0.112 73.3 123.4-128.6 27.8 35.2 -1.6 -6.0 44 79 A M T < S+ 0 0 124 -3,-0.6 -1,-0.1 1,-0.3 -2,-0.1 0.747 83.2 43.4 -64.8 -19.2 38.9 -1.4 -5.2 45 80 A D T 3 S+ 0 0 158 -4,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.513 81.1 129.5-102.4 -6.0 39.3 1.4 -7.7 46 81 A L < - 0 0 51 -3,-1.2 -3,-0.1 1,-0.1 2,-0.0 -0.238 58.3-123.7 -51.5 128.5 36.2 3.5 -6.8 47 82 A P - 0 0 88 0, 0.0 2,-1.3 0, 0.0 -1,-0.1 -0.342 26.3-104.3 -67.8 155.1 37.0 7.2 -6.2 48 83 A E - 0 0 187 -2,-0.0 2,-0.2 2,-0.0 -2,-0.0 -0.681 52.8-177.0 -79.9 95.3 36.0 8.8 -2.9 49 84 A E - 0 0 26 -2,-1.3 5,-0.1 6,-0.0 -3,-0.0 -0.577 14.1-161.6 -96.3 159.4 33.0 10.8 -4.0 50 85 A L > - 0 0 95 3,-0.3 3,-1.7 -2,-0.2 6,-0.3 -0.993 30.1-104.0-134.8 143.0 30.8 13.1 -2.0 51 86 A P T 3 S+ 0 0 18 0, 0.0 3,-0.1 0, 0.0 6,-0.1 -0.389 110.2 28.8 -60.8 141.4 27.3 14.4 -2.7 52 87 A G T 3 S+ 0 0 24 7,-3.0 2,-0.4 9,-0.2 11,-0.1 0.496 103.1 97.5 81.7 3.2 27.6 18.1 -3.9 53 88 A V S X S- 0 0 75 -3,-1.7 3,-2.4 6,-0.3 -3,-0.3 -0.992 81.8 -64.3-123.5 137.0 31.0 17.5 -5.4 54 89 A K T 3 S+ 0 0 99 -2,-0.4 -4,-0.1 1,-0.4 238,-0.1 -0.236 121.5 30.4 -57.5 139.8 31.7 16.8 -9.1 55 90 A P T 3 S- 0 0 26 0, 0.0 240,-0.4 0, 0.0 -1,-0.4 -0.935 89.4-150.3 -93.0 18.4 30.9 14.5 -10.8 56 91 A F X + 0 0 7 -3,-2.4 3,-2.1 -6,-0.3 -2,-0.1 0.569 42.4 146.0 71.6 18.3 27.9 14.4 -8.4 57 92 A T T 3 S+ 0 0 0 1,-0.3 234,-0.2 -4,-0.2 235,-0.1 0.880 77.7 47.6 -48.8 -41.1 27.2 10.6 -8.6 58 93 A R T 3 S- 0 0 58 1,-0.3 -1,-0.3 -5,-0.2 330,-0.2 0.486 132.4 -55.8 -87.2 -2.1 26.1 10.7 -4.9 59 94 A G < - 0 0 0 -3,-2.1 -7,-3.0 -9,-0.2 -6,-0.3 -0.511 41.9-101.4 139.3 155.5 23.9 13.8 -5.4 60 95 A P S S+ 0 0 4 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.764 103.1 43.9 -73.8 -23.1 23.8 17.4 -6.7 61 96 A Y S S- 0 0 92 1,-0.1 3,-0.3 -3,-0.1 -9,-0.2 -0.920 78.8-125.5-129.3 148.6 23.9 18.9 -3.2 62 97 A P S S+ 0 0 88 0, 0.0 -1,-0.1 0, 0.0 325,-0.1 0.899 107.1 35.5 -61.6 -45.9 25.9 18.2 -0.1 63 98 A T S > S- 0 0 77 1,-0.2 3,-2.5 2,-0.1 4,-0.2 0.649 79.9-179.6 -87.5 -11.5 23.1 17.7 2.5 64 99 A M T 3 S- 0 0 19 -3,-0.3 4,-0.5 1,-0.3 3,-0.3 -0.284 72.6 -19.6 43.5-115.0 20.6 16.0 0.2 65 100 A Y T 3 S+ 0 0 21 319,-0.3 -1,-0.3 1,-0.2 -2,-0.1 0.387 111.5 98.8-101.0 6.2 17.5 15.3 2.3 66 101 A T S < S+ 0 0 71 -3,-2.5 -1,-0.2 1,-0.2 -2,-0.1 0.742 98.8 23.8 -72.9 -23.2 19.2 15.5 5.8 67 102 A F S S+ 0 0 177 1,-0.4 -1,-0.2 -3,-0.3 -2,-0.1 0.786 143.0 1.8-100.3 -49.8 18.0 19.1 6.4 68 103 A R S S- 0 0 73 -4,-0.5 -1,-0.4 316,-0.1 -2,-0.1 -0.999 78.1-127.4-138.8 141.8 15.0 19.3 4.1 69 104 A P - 0 0 60 0, 0.0 3,-0.1 0, 0.0 -5,-0.0 -0.126 38.9 -73.7 -81.8 173.7 13.6 16.5 2.0 70 105 A W - 0 0 8 1,-0.1 2,-0.4 277,-0.1 279,-0.3 -0.158 60.6 -94.1 -55.2 159.9 12.7 16.4 -1.8 71 106 A T E -b 349 0B 64 277,-2.4 279,-2.1 -3,-0.1 2,-0.6 -0.687 27.1-130.0 -86.5 131.2 9.6 18.3 -2.9 72 107 A I E +b 350 0B 28 -2,-0.4 2,-0.4 277,-0.2 279,-0.2 -0.728 34.1 172.1 -74.8 118.5 6.3 16.5 -3.1 73 108 A R + 0 0 108 277,-2.7 -2,-0.0 -2,-0.6 276,-0.0 -0.798 11.3 167.8-135.4 87.0 5.0 17.4 -6.6 74 109 A Q - 0 0 28 -2,-0.4 -1,-0.1 277,-0.1 277,-0.1 0.632 34.7-141.6 -78.5 -14.4 1.8 15.4 -7.5 75 110 A Y + 0 0 81 1,-0.2 2,-0.1 27,-0.0 276,-0.0 0.877 36.7 172.8 54.4 38.5 0.8 17.5 -10.6 76 111 A A + 0 0 53 291,-0.0 2,-0.3 25,-0.0 24,-0.2 -0.402 7.6 137.2 -69.9 152.0 -2.8 17.2 -9.7 77 112 A G - 0 0 50 -2,-0.1 2,-0.3 24,-0.1 24,-0.1 -0.977 40.1-102.7-174.0-164.3 -5.4 19.2 -11.6 78 113 A F - 0 0 86 -2,-0.3 24,-0.3 2,-0.1 49,-0.3 -0.814 23.3-122.8-136.2 165.8 -8.6 19.7 -13.5 79 114 A S S S+ 0 0 42 -2,-0.3 2,-0.3 47,-0.2 49,-0.3 0.348 90.2 59.1 -99.6 3.8 -10.0 19.9 -17.0 80 115 A T S > S- 0 0 30 47,-0.1 4,-2.4 1,-0.1 5,-0.2 -0.980 77.2-130.1-128.4 150.0 -11.6 23.3 -16.9 81 116 A V H > S+ 0 0 5 -2,-0.3 4,-2.7 1,-0.2 5,-0.1 0.845 107.6 55.7 -63.4 -31.8 -10.1 26.7 -16.1 82 117 A E H > S+ 0 0 94 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.906 110.3 43.3 -71.0 -42.8 -12.7 27.5 -13.5 83 118 A E H > S+ 0 0 89 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.880 114.3 52.1 -67.6 -41.2 -12.1 24.3 -11.5 84 119 A S H X S+ 0 0 5 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.934 107.9 52.1 -56.8 -45.0 -8.4 24.9 -11.9 85 120 A N H X S+ 0 0 19 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.919 110.4 46.6 -63.3 -44.3 -8.8 28.5 -10.6 86 121 A K H X S+ 0 0 94 -4,-2.0 4,-2.7 1,-0.2 -1,-0.2 0.931 113.2 50.4 -57.5 -46.2 -10.7 27.3 -7.5 87 122 A F H X S+ 0 0 52 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.856 108.6 52.5 -61.4 -39.0 -8.1 24.6 -6.8 88 123 A Y H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -1,-0.2 0.888 110.0 47.6 -65.0 -42.4 -5.3 27.2 -7.2 89 124 A K H X S+ 0 0 84 -4,-2.0 4,-3.0 2,-0.2 5,-0.2 0.930 110.2 52.3 -66.8 -41.8 -6.9 29.4 -4.6 90 125 A D H X S+ 0 0 98 -4,-2.7 4,-2.0 1,-0.2 -2,-0.2 0.957 112.4 46.6 -52.3 -52.3 -7.4 26.5 -2.2 91 126 A N H <>S+ 0 0 23 -4,-2.5 5,-2.6 2,-0.2 -1,-0.2 0.881 111.0 51.6 -58.4 -40.1 -3.7 25.7 -2.7 92 127 A I H ><5S+ 0 0 50 -4,-2.2 3,-2.3 3,-0.2 -2,-0.2 0.949 108.1 51.2 -65.9 -45.9 -2.7 29.4 -2.1 93 128 A K H 3<5S+ 0 0 91 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.858 106.0 56.0 -57.2 -38.5 -4.7 29.6 1.1 94 129 A A T 3<5S- 0 0 86 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.295 126.8-104.5 -77.3 9.5 -2.9 26.4 2.2 95 130 A G T < 5 + 0 0 56 -3,-2.3 -3,-0.2 1,-0.2 -2,-0.2 0.548 67.8 152.6 84.7 9.5 0.4 28.4 1.7 96 131 A Q < - 0 0 75 -5,-2.6 -1,-0.2 -6,-0.2 -2,-0.0 -0.462 26.7-172.9 -76.4 144.0 1.4 26.7 -1.6 97 132 A Q + 0 0 135 -2,-0.1 51,-2.8 50,-0.1 2,-0.4 0.365 61.8 73.5-118.0 -0.4 3.6 28.7 -4.0 98 133 A G E +f 148 0C 25 49,-0.2 2,-0.3 -7,-0.1 51,-0.2 -0.914 52.9 177.1-116.4 142.6 3.7 26.3 -7.1 99 134 A L E -f 149 0C 12 49,-2.7 51,-3.0 -2,-0.4 2,-0.3 -0.941 11.2-153.0-131.7 161.2 0.9 25.5 -9.6 100 135 A S E -f 150 0C 21 -2,-0.3 2,-0.4 -24,-0.2 51,-0.2 -0.945 1.6-154.2-132.5 157.5 0.7 23.3 -12.7 101 136 A V E -f 151 0C 5 49,-2.2 51,-1.5 -2,-0.3 2,-0.4 -1.000 4.4-165.5-130.3 126.6 -1.4 23.4 -15.8 102 137 A A - 0 0 46 -2,-0.4 25,-2.5 -24,-0.3 2,-0.3 -0.895 17.0-148.6-106.1 146.4 -2.3 20.4 -17.9 103 138 A F B -i 127 0D 5 49,-0.4 25,-0.2 -2,-0.4 24,-0.0 -0.845 14.7-107.6-120.5 150.4 -3.7 21.0 -21.4 104 139 A D > - 0 0 0 23,-2.6 4,-2.3 -2,-0.3 5,-0.2 -0.226 36.4-108.5 -73.6 164.0 -6.1 19.2 -23.7 105 140 A L H > S+ 0 0 28 16,-0.4 4,-1.8 1,-0.2 6,-0.1 0.850 118.1 59.6 -70.2 -32.7 -4.7 17.4 -26.8 106 141 A A H 4>S+ 0 0 0 2,-0.2 5,-2.9 12,-0.2 4,-0.3 0.937 108.7 45.1 -52.0 -50.7 -6.2 20.0 -29.1 107 142 A T H >45S+ 0 0 0 1,-0.2 3,-1.7 3,-0.2 49,-0.2 0.931 108.2 56.3 -65.6 -45.7 -4.1 22.6 -27.4 108 143 A H H 3<5S+ 0 0 7 -4,-2.3 48,-1.2 1,-0.3 -1,-0.2 0.883 112.4 43.3 -49.2 -42.1 -1.0 20.5 -27.4 109 144 A R T 3<5S- 0 0 11 -4,-1.8 -1,-0.3 46,-0.2 -2,-0.2 0.341 119.6-106.6 -97.3 11.9 -1.2 20.2 -31.2 110 145 A G T < 5S+ 0 0 0 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.2 0.796 70.6 139.0 78.1 31.5 -2.1 23.8 -31.9 111 146 A Y < - 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0 0 71 -2,-0.8 2,-0.1 1,-0.1 -138,-0.1 -0.337 20.2-106.9 -69.2 145.7 -13.4 -4.4 -11.5 465 500 A V - 0 0 82 1,-0.1 2,-0.2 -2,-0.0 -1,-0.1 -0.417 39.0-102.3 -68.7 146.7 -14.6 -0.9 -10.7 466 501 A E - 0 0 74 -2,-0.1 2,-0.8 205,-0.1 -1,-0.1 -0.530 21.7-149.5 -69.5 130.5 -16.3 1.0 -13.5 467 502 A V - 0 0 53 -2,-0.2 206,-0.2 -107,-0.1 2,-0.1 -0.929 26.1-137.6 -95.8 101.4 -14.2 3.7 -15.2 468 503 A L - 0 0 143 -2,-0.8 2,-0.2 1,-0.1 0, 0.0 -0.377 11.5-123.0 -60.6 131.5 -17.0 6.1 -16.2 469 504 A A - 0 0 60 -2,-0.1 2,-0.5 1,-0.0 -1,-0.1 -0.528 25.2-134.5 -67.8 143.8 -16.7 7.6 -19.7 470 505 A I - 0 0 103 -2,-0.2 2,-0.4 171,-0.0 -1,-0.0 -0.931 9.5-145.5-108.7 124.5 -16.6 11.4 -19.6 471 506 A D - 0 0 119 -2,-0.5 4,-0.3 1,-0.1 3,-0.2 -0.746 11.9-172.2 -89.4 131.8 -18.7 13.3 -22.0 472 507 A N > + 0 0 16 -2,-0.4 4,-2.7 1,-0.1 5,-0.3 0.299 55.6 106.7-105.7 8.8 -17.1 16.6 -23.3 473 508 A T H > S+ 0 0 58 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.936 83.9 45.3 -50.4 -50.7 -20.2 17.9 -25.2 474 509 A S H > S+ 0 0 64 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.936 114.7 44.2 -62.5 -53.6 -20.9 20.5 -22.5 475 510 A V H > S+ 0 0 45 -4,-0.3 4,-2.6 1,-0.2 -1,-0.2 0.899 114.8 51.1 -61.5 -39.1 -17.4 21.8 -22.0 476 511 A R H X S+ 0 0 12 -4,-2.7 4,-2.6 -354,-0.2 -2,-0.2 0.940 111.6 45.6 -65.9 -47.1 -16.8 21.9 -25.8 477 512 A N H X S+ 0 0 90 -4,-2.7 4,-2.4 -5,-0.3 -2,-0.2 0.926 114.0 49.5 -62.3 -43.4 -19.9 23.9 -26.5 478 513 A R H X S+ 0 0 173 -4,-2.6 4,-2.3 -5,-0.2 -2,-0.2 0.935 113.0 47.8 -57.8 -45.1 -19.2 26.3 -23.6 479 514 A Q H X S+ 0 0 15 -4,-2.6 4,-2.4 -5,-0.2 -2,-0.2 0.881 109.8 50.9 -69.1 -38.4 -15.7 26.8 -24.9 480 515 A I H X S+ 0 0 53 -4,-2.6 4,-3.1 2,-0.2 -1,-0.2 0.920 109.8 51.1 -63.7 -41.8 -16.7 27.4 -28.5 481 516 A E H X S+ 0 0 98 -4,-2.4 4,-1.6 1,-0.2 -2,-0.2 0.917 110.7 48.8 -61.3 -43.7 -19.2 30.0 -27.3 482 517 A K H X S+ 0 0 54 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.939 113.7 47.1 -55.8 -47.8 -16.4 31.7 -25.3 483 518 A L H X S+ 0 0 3 -4,-2.4 4,-2.6 1,-0.2 5,-0.3 0.907 106.7 56.3 -65.8 -45.0 -14.1 31.6 -28.4 484 519 A K H X S+ 0 0 47 -4,-3.1 4,-1.8 1,-0.2 -1,-0.2 0.877 107.6 49.0 -53.3 -43.7 -16.8 33.0 -30.8 485 520 A K H X S+ 0 0 122 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.870 111.2 49.4 -67.1 -39.4 -17.3 36.1 -28.6 486 521 A I H X S+ 0 0 34 -4,-1.6 4,-1.5 2,-0.2 -2,-0.2 0.947 113.1 45.5 -65.3 -49.2 -13.6 36.8 -28.4 487 522 A K H < S+ 0 0 64 -4,-2.6 -2,-0.2 1,-0.2 -1,-0.2 0.853 114.9 51.3 -61.5 -33.1 -13.0 36.5 -32.1 488 523 A S H < S+ 0 0 102 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.841 114.0 40.3 -71.2 -36.4 -16.1 38.6 -32.7 489 524 A S H < S+ 0 0 97 -4,-1.8 -2,-0.2 -3,-0.2 -1,-0.2 0.630 94.4 98.5 -94.7 -13.2 -15.1 41.5 -30.4 490 525 A R S < S- 0 0 29 -4,-1.5 2,-0.9 -5,-0.1 3,-0.1 -0.219 88.0 -92.4 -77.1 163.9 -11.4 41.8 -31.2 491 526 A D > - 0 0 95 1,-0.2 4,-2.2 32,-0.1 -1,-0.1 -0.654 41.9-166.4 -72.0 106.1 -9.6 44.3 -33.5 492 527 A Q H > S+ 0 0 84 -2,-0.9 4,-2.9 2,-0.2 5,-0.2 0.896 80.8 50.5 -70.2 -43.6 -9.6 42.1 -36.6 493 528 A A H > S+ 0 0 46 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.917 112.3 47.8 -59.4 -46.8 -7.1 44.1 -38.7 494 529 A L H > S+ 0 0 63 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.932 111.0 52.0 -60.5 -46.0 -4.6 44.2 -35.8 495 530 A A H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 3,-0.3 0.960 111.9 45.6 -53.4 -54.0 -5.1 40.4 -35.4 496 531 A E H X S+ 0 0 115 -4,-2.9 4,-2.6 1,-0.2 -1,-0.2 0.863 110.6 54.4 -58.5 -40.9 -4.4 39.7 -39.1 497 532 A R H X S+ 0 0 147 -4,-2.5 4,-1.9 1,-0.2 -1,-0.2 0.862 107.6 49.3 -62.2 -38.9 -1.4 42.1 -39.0 498 533 A C H X S+ 0 0 15 -4,-2.1 4,-1.7 -3,-0.3 -1,-0.2 0.894 112.0 48.3 -69.1 -36.8 0.2 40.1 -36.1 499 534 A L H X S+ 0 0 31 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.919 110.0 52.4 -69.4 -41.4 -0.3 36.8 -37.9 500 535 A A H X S+ 0 0 58 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.889 108.4 51.0 -57.4 -41.5 1.2 38.2 -41.0 501 536 A A H X S+ 0 0 43 -4,-1.9 4,-1.9 2,-0.2 -1,-0.2 0.845 108.1 52.5 -69.9 -32.5 4.2 39.3 -39.0 502 537 A L H X S+ 0 0 0 -4,-1.7 4,-2.2 2,-0.2 -2,-0.2 0.935 111.0 47.4 -61.7 -47.1 4.6 35.8 -37.5 503 538 A T H X S+ 0 0 35 -4,-2.3 4,-2.1 2,-0.2 -2,-0.2 0.906 111.5 49.5 -61.9 -44.4 4.5 34.3 -41.1 504 539 A E H X S+ 0 0 117 -4,-2.3 4,-2.8 1,-0.2 6,-0.4 0.885 110.0 52.3 -66.1 -36.2 7.1 36.8 -42.3 505 540 A C H X S+ 0 0 6 -4,-1.9 4,-2.6 2,-0.2 -2,-0.2 0.913 109.6 48.5 -61.5 -44.7 9.3 36.0 -39.3 506 541 A A H < S+ 0 0 15 -4,-2.2 -2,-0.2 2,-0.2 -1,-0.2 0.878 117.1 42.7 -64.0 -40.3 9.2 32.3 -40.1 507 542 A A H < S+ 0 0 62 -4,-2.1 -2,-0.2 -5,-0.1 -1,-0.2 0.916 125.3 31.5 -70.2 -46.9 10.0 32.9 -43.8 508 543 A S H < S- 0 0 47 -4,-2.8 -3,-0.2 2,-0.2 -2,-0.2 0.775 90.8-133.1 -86.3 -32.4 12.8 35.5 -43.3 509 544 A G < + 0 0 42 -4,-2.6 2,-0.4 1,-0.3 -4,-0.1 0.493 64.5 131.5 81.4 4.5 14.4 34.5 -40.0 510 545 A D + 0 0 120 -6,-0.4 -1,-0.3 -5,-0.2 -2,-0.2 -0.790 57.5 12.7 -91.5 130.9 14.2 38.2 -39.0 511 546 A G S S- 0 0 55 -2,-0.4 2,-0.4 -3,-0.1 -9,-0.0 -0.222 94.0 -72.8 91.9 172.3 12.7 38.8 -35.5 512 547 A N > - 0 0 18 1,-0.1 4,-2.5 -2,-0.1 5,-0.2 -0.913 29.6-144.1-111.3 129.6 11.9 36.4 -32.6 513 548 A I H > S+ 0 0 2 -2,-0.4 4,-1.8 2,-0.2 -1,-0.1 0.906 101.0 47.0 -63.3 -41.4 9.0 34.0 -33.0 514 549 A L H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 110.8 52.6 -67.2 -44.8 8.0 34.2 -29.3 515 550 A A H > S+ 0 0 34 1,-0.2 4,-1.5 2,-0.2 3,-0.3 0.940 112.5 44.9 -52.8 -47.4 8.3 38.0 -29.3 516 551 A L H X S+ 0 0 37 -4,-2.5 4,-1.8 1,-0.2 -1,-0.2 0.823 109.9 55.4 -72.2 -26.9 6.0 38.2 -32.3 517 552 A A H X S+ 0 0 0 -4,-1.8 4,-2.9 2,-0.2 -1,-0.2 0.777 100.7 58.9 -73.9 -30.4 3.6 35.7 -30.7 518 553 A V H X S+ 0 0 5 -4,-1.9 4,-2.6 -3,-0.3 -2,-0.2 0.911 106.1 48.8 -63.0 -41.3 3.3 37.8 -27.6 519 554 A D H X S+ 0 0 79 -4,-1.5 4,-1.9 2,-0.2 -2,-0.2 0.931 112.9 47.6 -57.8 -48.3 2.0 40.6 -29.9 520 555 A A H <>S+ 0 0 0 -4,-1.8 5,-2.7 2,-0.2 -2,-0.2 0.921 111.4 50.1 -61.1 -44.3 -0.5 38.1 -31.5 521 556 A S H ><5S+ 0 0 0 -4,-2.9 3,-1.9 1,-0.2 -389,-0.4 0.931 109.2 51.4 -59.8 -46.3 -1.6 36.9 -28.1 522 557 A R H 3<5S+ 0 0 100 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.881 106.6 55.0 -58.9 -34.4 -2.2 40.5 -27.0 523 558 A A T 3<5S- 0 0 10 -4,-1.9 -1,-0.3 -5,-0.2 -2,-0.2 0.338 122.0-109.5 -85.1 11.2 -4.3 41.1 -30.2 524 559 A R T < 5 + 0 0 38 -3,-1.9 -3,-0.2 1,-0.2 2,-0.2 0.805 59.6 164.5 62.5 32.5 -6.4 38.1 -29.2 525 560 A C < - 0 0 0 -5,-2.7 -393,-0.4 -6,-0.1 -1,-0.2 -0.530 36.3-114.1 -65.5 146.9 -5.2 35.8 -31.9 526 561 A T > - 0 0 0 -2,-0.2 4,-2.6 -395,-0.1 -395,-0.2 -0.363 15.6-113.5 -83.1 163.2 -6.0 32.1 -31.3 527 562 A V H > S+ 0 0 0 -397,-2.0 4,-2.1 2,-0.2 5,-0.1 0.872 120.0 48.8 -59.0 -41.4 -3.7 29.2 -30.6 528 563 A G H > S+ 0 0 4 -398,-0.2 4,-3.2 2,-0.2 -1,-0.2 0.909 111.7 47.9 -64.4 -46.0 -4.7 27.7 -34.0 529 564 A E H > S+ 0 0 38 2,-0.2 4,-2.2 1,-0.2 -2,-0.2 0.897 112.5 47.7 -63.6 -45.0 -4.2 31.0 -35.9 530 565 A I H X S+ 0 0 0 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.961 115.9 46.4 -61.9 -46.4 -0.8 31.6 -34.3 531 566 A T H X S+ 0 0 2 -4,-2.1 4,-2.9 -5,-0.2 3,-0.3 0.928 113.0 48.6 -55.9 -49.2 0.1 27.9 -35.2 532 567 A D H X S+ 0 0 78 -4,-3.2 4,-1.9 1,-0.2 -1,-0.2 0.803 103.9 60.1 -67.9 -32.1 -1.3 28.2 -38.7 533 568 A A H < S+ 0 0 6 -4,-2.2 4,-0.4 2,-0.2 -1,-0.2 0.907 113.0 39.2 -57.3 -42.9 0.7 31.4 -39.4 534 569 A L H >X S+ 0 0 1 -4,-1.5 4,-2.9 -3,-0.3 3,-1.5 0.900 110.2 59.0 -73.1 -43.4 3.8 29.4 -38.7 535 570 A K H 3X S+ 0 0 26 -4,-2.9 4,-2.9 1,-0.3 -2,-0.2 0.846 91.2 71.1 -50.7 -40.2 2.6 26.2 -40.6 536 571 A K H 3< S+ 0 0 124 -4,-1.9 -1,-0.3 1,-0.2 -2,-0.2 0.826 116.5 22.0 -50.1 -32.1 2.2 28.3 -43.7 537 572 A V H <4 S+ 0 0 59 -3,-1.5 -2,-0.2 -4,-0.4 -1,-0.2 0.822 132.2 38.7-100.5 -44.5 6.1 28.4 -43.8 538 573 A F H < S- 0 0 35 -4,-2.9 -3,-0.2 1,-0.2 -2,-0.2 0.692 89.6-158.3 -85.1 -19.5 7.1 25.3 -41.8 539 574 A G < - 0 0 30 -4,-2.9 2,-0.4 -5,-0.3 -1,-0.2 -0.163 31.5 -59.0 64.3-165.9 4.4 22.9 -42.9 540 575 A E - 0 0 109 -342,-0.2 2,-0.4 -5,-0.0 -342,-0.2 -0.890 45.2-116.6-116.6 141.5 3.5 19.8 -40.9 541 576 A H - 0 0 45 -344,-2.3 2,-0.5 -2,-0.4 -2,-0.0 -0.635 25.0-169.4 -78.3 129.6 5.6 16.8 -39.8 542 577 A K - 0 0 103 -2,-0.4 -344,-0.0 72,-0.0 -2,-0.0 -0.989 21.1-130.9-116.5 121.8 4.6 13.4 -41.2 543 578 A A - 0 0 46 -2,-0.5 2,-0.1 1,-0.1 -118,-0.0 -0.285 15.5-165.5 -68.7 155.1 6.4 10.5 -39.5 544 579 A N - 0 0 155 70,-0.0 -1,-0.1 2,-0.0 -2,-0.0 -0.592 23.6-163.4-136.8 73.5 8.1 7.8 -41.5 545 580 A D - 0 0 67 -2,-0.1 2,-0.2 1,-0.1 -117,-0.1 -0.252 17.2-126.1 -71.9 142.6 8.6 5.2 -38.9 546 581 A R - 0 0 114 -119,-0.4 2,-0.4 1,-0.0 -1,-0.1 -0.562 34.4-120.2 -74.1 149.7 11.0 2.2 -39.2 547 582 A M - 0 0 99 -2,-0.2 2,-0.2 54,-0.0 -1,-0.0 -0.788 11.7-128.0-103.1 135.8 9.2 -1.1 -38.6 548 583 A V - 0 0 19 -2,-0.4 2,-0.4 49,-0.1 -116,-0.0 -0.560 29.7-171.3 -70.6 134.5 10.0 -3.6 -35.9 549 584 A S - 0 0 106 -2,-0.2 53,-0.1 55,-0.0 52,-0.1 -0.950 57.4 -14.7-135.9 124.2 10.5 -7.1 -37.2 550 585 A G S > S+ 0 0 26 -2,-0.4 4,-2.1 51,-0.3 5,-0.2 0.371 92.0 113.0 80.1 -4.7 10.9 -10.4 -35.4 551 586 A A H > S+ 0 0 8 2,-0.2 4,-2.4 3,-0.2 5,-0.3 0.952 77.8 47.7 -67.0 -46.4 11.6 -8.9 -31.9 552 587 A Y H > S+ 0 0 0 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.959 116.1 41.5 -57.7 -59.0 8.4 -10.2 -30.3 553 588 A R H > S+ 0 0 121 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.877 114.6 51.6 -61.1 -41.3 8.6 -13.8 -31.6 554 589 A Q H < S+ 0 0 160 -4,-2.1 -1,-0.2 1,-0.2 -2,-0.2 0.920 114.3 42.7 -64.5 -43.0 12.3 -14.1 -30.9 555 590 A E H < S+ 0 0 69 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.877 106.9 61.8 -68.5 -39.3 11.9 -12.9 -27.3 556 591 A F H < S- 0 0 21 -4,-2.6 -1,-0.2 -5,-0.3 -2,-0.2 0.886 96.2-162.0 -54.3 -39.4 8.8 -15.0 -26.7 557 592 A G < - 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