==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 19-MAY-08 3D6K . COMPND 2 MOLECULE: PUTATIVE AMINOTRANSFERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CORYNEBACTERIUM DIPHTHERIAE; . AUTHOR K.TAN,R.ZHANG,E.DUGGAN,S.CLANCY,A.JOACHIMIAK,MIDWEST CENTER . 1639 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 57479.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 1166 71.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 99 6.0 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 . 4 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.2 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 . 103 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 205 12.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 551 33.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 26 1.6 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 4 1 5 3 6 6 8 1 2 4 4 0 1 0 2 2 0 0 0 0 0 0 0 0 0 4 RESIDUES PER ALPHA HELIX . 0 4 4 8 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 PARALLEL BRIDGES PER LADDER . 8 5 7 8 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 . 8 4 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 15 A R > 0 0 178 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 -79.8 61.1 97.6 110.5 2 16 A E H > + 0 0 148 1,-0.2 4,-1.6 2,-0.2 5,-0.1 0.776 360.0 54.3 -79.5 -13.6 61.1 101.1 109.1 3 17 A E H > S+ 0 0 138 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.739 111.8 44.0 -77.6 -28.4 60.4 99.6 105.7 4 18 A V H > S+ 0 0 6 2,-0.2 4,-1.7 3,-0.1 -2,-0.2 0.800 109.9 56.3 -79.1 -35.3 57.4 97.8 107.2 5 19 A T H X S+ 0 0 63 -4,-2.3 4,-1.2 2,-0.2 -2,-0.2 0.889 112.0 43.2 -60.9 -40.9 56.5 101.0 108.9 6 20 A A H X S+ 0 0 48 -4,-1.6 4,-3.0 2,-0.2 5,-0.3 0.921 105.8 61.2 -70.1 -47.4 56.5 102.7 105.5 7 21 A K H X S+ 0 0 81 -4,-1.8 4,-2.1 1,-0.2 -2,-0.2 0.823 104.7 50.4 -50.2 -36.8 54.6 99.7 103.8 8 22 A Y H X S+ 0 0 25 -4,-1.7 4,-3.1 2,-0.2 -1,-0.2 0.930 110.3 47.8 -65.3 -47.9 51.7 100.4 106.2 9 23 A A H X S+ 0 0 57 -4,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.910 111.3 51.2 -60.3 -44.7 51.6 104.1 105.4 10 24 A E H X S+ 0 0 115 -4,-3.0 4,-1.0 2,-0.2 -1,-0.2 0.911 111.3 48.3 -55.9 -46.3 51.7 103.3 101.7 11 25 A L H ><>S+ 0 0 11 -4,-2.1 3,-0.6 -5,-0.3 5,-0.5 0.922 112.2 49.3 -59.6 -47.9 48.8 100.9 102.3 12 26 A K H ><5S+ 0 0 104 -4,-3.1 3,-1.4 1,-0.2 -2,-0.2 0.890 107.6 53.6 -56.4 -46.2 46.9 103.6 104.2 13 27 A A H 3<5S+ 0 0 84 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.728 91.8 76.2 -63.4 -21.6 47.5 106.2 101.5 14 28 A K T <<5S- 0 0 126 -4,-1.0 -1,-0.3 -3,-0.6 -2,-0.2 0.565 95.0-136.9 -71.2 -7.9 46.0 103.8 98.9 15 29 A N T < 5 - 0 0 151 -3,-1.4 -3,-0.1 -4,-0.2 -2,-0.1 0.894 36.8-167.9 51.3 47.9 42.5 104.6 100.2 16 30 A L < - 0 0 34 -5,-0.5 -1,-0.1 337,-0.4 339,-0.1 -0.137 31.3-178.7 -70.3 156.9 41.6 100.9 100.0 17 31 A S + 0 0 116 339,-0.0 2,-0.2 2,-0.0 338,-0.2 -0.497 33.1 138.9-153.0 72.7 38.2 99.3 100.3 18 32 A L E -a 355 0A 26 336,-2.6 338,-2.6 372,-0.1 2,-0.4 -0.684 34.9-148.3-118.9 172.2 38.8 95.5 100.0 19 33 A D E +a 356 0A 43 336,-0.2 338,-0.2 -2,-0.2 371,-0.1 -0.989 24.5 173.5-151.2 124.9 37.4 92.5 101.8 20 34 A L + 0 0 2 336,-3.2 358,-2.0 -2,-0.4 338,-0.4 -0.032 68.6 89.8-118.0 30.8 38.7 89.1 102.8 21 35 A T + 0 0 52 336,-0.2 2,-0.9 356,-0.1 336,-0.1 0.662 56.7 94.4 -98.1 -26.4 35.6 88.2 104.8 22 36 A R - 0 0 73 356,-0.3 2,-1.9 1,-0.1 359,-0.7 -0.658 46.5-169.6 -96.1 102.7 33.2 86.6 102.4 23 37 A G + 0 0 13 -2,-0.9 -1,-0.1 357,-0.1 310,-0.1 -0.412 55.9 116.0 -77.9 59.6 33.2 82.7 102.2 24 38 A K S S- 0 0 65 -2,-1.9 2,-0.1 354,-0.1 217,-0.1 -0.886 73.7 -95.8-128.9 151.3 31.0 83.0 99.0 25 39 A P - 0 0 0 0, 0.0 356,-0.1 0, 0.0 2,-0.1 -0.440 41.8-114.3 -67.0 145.1 31.6 82.0 95.4 26 40 A S > - 0 0 6 354,-0.4 4,-2.4 -2,-0.1 5,-0.1 -0.294 30.7-104.1 -65.8 165.9 32.8 84.8 93.0 27 41 A A H > S+ 0 0 50 354,-0.3 4,-2.7 1,-0.2 5,-0.1 0.844 122.6 59.1 -65.0 -35.3 30.6 85.9 90.2 28 42 A E H > S+ 0 0 115 2,-0.2 4,-0.8 1,-0.2 -1,-0.2 0.924 109.1 44.1 -56.3 -46.6 32.7 83.9 87.7 29 43 A Q H >4 S+ 0 0 0 1,-0.2 3,-0.8 2,-0.2 4,-0.4 0.905 111.1 53.7 -64.9 -44.0 32.0 80.7 89.7 30 44 A L H >< S+ 0 0 2 -4,-2.4 3,-2.2 1,-0.2 -2,-0.2 0.914 100.5 61.9 -54.7 -43.6 28.3 81.7 90.0 31 45 A D H >< S+ 0 0 80 -4,-2.7 3,-2.0 1,-0.3 4,-0.3 0.774 87.7 73.1 -56.3 -31.9 28.1 82.0 86.2 32 46 A L T << S+ 0 0 53 -3,-0.8 -1,-0.3 -4,-0.8 3,-0.3 0.755 100.2 44.8 -54.8 -25.0 29.0 78.3 85.8 33 47 A S T X> S+ 0 0 0 -3,-2.2 3,-0.7 -4,-0.4 4,-0.6 0.146 75.6 114.2-108.6 20.1 25.5 77.4 87.0 34 48 A N G X4 + 0 0 47 -3,-2.0 3,-1.1 1,-0.2 4,-0.4 0.864 69.9 61.6 -58.7 -38.3 23.6 79.9 84.9 35 49 A D G >4 S+ 0 0 123 -3,-0.3 3,-1.4 -4,-0.3 -1,-0.2 0.827 95.4 63.5 -58.4 -32.1 21.9 77.1 82.8 36 50 A L G X4 S+ 0 0 7 -3,-0.7 3,-2.3 1,-0.2 -1,-0.3 0.848 86.7 70.7 -58.5 -35.7 20.2 75.9 86.0 37 51 A L G << S+ 0 0 9 -3,-1.1 414,-1.8 -4,-0.6 -1,-0.2 0.702 100.8 47.9 -57.0 -22.0 18.3 79.2 86.4 38 52 A S G < S+ 0 0 55 -3,-1.4 -1,-0.3 -4,-0.4 -2,-0.2 0.339 97.2 136.0-100.3 3.5 16.2 78.0 83.4 39 53 A L < + 0 0 56 -3,-2.3 241,-0.2 1,-0.2 412,-0.1 -0.675 51.4 19.2-102.3 158.7 15.5 74.5 84.5 40 54 A P S > S+ 0 0 11 0, 0.0 3,-1.5 0, 0.0 2,-0.2 -0.986 78.0 158.1 -75.0 -19.6 13.3 72.3 84.8 41 55 A G T 3 S- 0 0 9 406,-2.0 -2,-0.1 1,-0.3 407,-0.1 -0.516 77.7 -16.4 70.0-134.7 11.3 74.3 82.2 42 56 A G T 3 S+ 0 0 69 -2,-0.2 2,-1.1 1,-0.2 -1,-0.3 0.517 125.4 82.0 -80.0 -6.8 8.7 72.1 80.4 43 57 A D < + 0 0 93 -3,-1.5 -1,-0.2 1,-0.2 -2,-0.0 -0.549 52.8 145.3 -95.7 67.2 10.5 69.0 81.7 44 58 A F + 0 0 24 -2,-1.1 8,-1.9 -5,-0.1 2,-0.3 0.274 39.7 91.0 -92.7 9.3 8.8 69.1 85.2 45 59 A R B S-B 51 0B 111 6,-0.2 6,-0.2 7,-0.1 -3,-0.0 -0.819 77.9-114.8-107.7 145.4 8.6 65.4 85.8 46 60 A T > - 0 0 12 4,-1.9 3,-2.4 -2,-0.3 -1,-0.1 -0.216 44.7 -95.1 -60.1 167.5 11.1 63.1 87.6 47 61 A K T 3 S+ 0 0 174 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.835 130.9 55.5 -53.5 -31.2 12.7 60.4 85.3 48 62 A D T 3 S- 0 0 143 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.292 121.6-108.3 -90.4 7.7 9.9 58.2 86.7 49 63 A G < + 0 0 37 -3,-2.4 2,-0.3 1,-0.3 -2,-0.1 0.457 66.2 144.5 88.0 4.1 7.1 60.5 85.6 50 64 A V - 0 0 81 1,-0.1 -4,-1.9 2,-0.0 2,-0.7 -0.569 56.0-111.3 -77.5 138.7 5.9 62.0 88.9 51 65 A D B > -B 45 0B 34 -2,-0.3 3,-1.1 -6,-0.2 -6,-0.2 -0.581 25.8-169.3 -76.7 110.9 4.7 65.7 88.7 52 66 A C T 3 S+ 0 0 0 -8,-1.9 224,-0.3 -2,-0.7 223,-0.2 0.526 78.0 74.1 -77.7 -6.8 7.2 67.8 90.7 53 67 A R T 3 S+ 0 0 2 -9,-0.2 602,-0.4 222,-0.1 604,-0.3 0.660 90.8 69.4 -75.8 -19.5 4.9 70.8 90.5 54 68 A N S < S- 0 0 16 -3,-1.1 221,-0.1 600,-0.2 600,-0.1 -0.555 91.0 -84.6-105.4 167.9 2.4 69.4 93.1 55 69 A Y S S+ 0 0 48 -2,-0.2 -1,-0.1 380,-0.1 601,-0.1 -0.168 73.7 76.6 -61.0 157.4 2.4 68.6 96.8 56 70 A G + 0 0 31 1,-0.1 215,-0.1 217,-0.1 216,-0.0 -0.122 42.0 84.6 121.9 148.8 3.9 65.4 98.3 57 71 A G - 0 0 47 -2,-0.1 3,-0.5 215,-0.1 -1,-0.1 0.851 39.5-159.8 95.7 95.3 7.2 63.7 99.2 58 72 A L S S+ 0 0 29 1,-0.2 3,-0.1 214,-0.2 214,-0.0 0.827 82.5 40.5 -73.5 -36.3 8.9 64.4 102.4 59 73 A L S S- 0 0 49 1,-0.3 22,-2.9 213,-0.1 -1,-0.2 0.212 111.9 -87.7-111.7 14.4 12.5 63.4 101.9 60 74 A G - 0 0 18 -3,-0.5 -1,-0.3 20,-0.2 2,-0.2 -0.196 53.0 -60.8 101.2 165.1 13.4 64.6 98.3 61 75 A I >> - 0 0 9 1,-0.1 4,-2.4 -3,-0.1 3,-0.7 -0.567 39.3-123.5 -85.5 149.2 13.1 63.1 94.8 62 76 A A H 3> S+ 0 0 32 1,-0.2 4,-3.1 -2,-0.2 5,-0.4 0.879 107.3 65.5 -53.3 -39.7 14.9 59.9 93.8 63 77 A D H 3> S+ 0 0 20 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.857 112.1 29.6 -56.9 -43.3 16.6 61.8 90.9 64 78 A I H <> S+ 0 0 0 -3,-0.7 4,-2.6 2,-0.2 5,-0.3 0.880 119.3 55.4 -84.5 -36.2 18.7 64.0 93.2 65 79 A R H X S+ 0 0 44 -4,-2.4 4,-2.6 1,-0.2 5,-0.2 0.913 111.3 44.1 -61.1 -45.2 18.9 61.6 96.1 66 80 A E H X S+ 0 0 108 -4,-3.1 4,-2.1 -5,-0.2 -1,-0.2 0.894 113.7 50.1 -67.0 -40.7 20.4 58.8 93.9 67 81 A L H X S+ 0 0 17 -4,-0.9 4,-2.0 -5,-0.4 -2,-0.2 0.950 116.1 41.5 -63.0 -51.2 22.8 61.2 92.1 68 82 A W H X S+ 0 0 3 -4,-2.6 4,-2.6 2,-0.2 6,-0.2 0.858 111.1 54.5 -67.0 -41.8 24.1 62.6 95.4 69 83 A A H X>S+ 0 0 1 -4,-2.6 5,-2.6 -5,-0.3 4,-0.7 0.926 110.1 49.6 -57.6 -42.8 24.3 59.3 97.2 70 84 A E H ><5S+ 0 0 135 -4,-2.1 3,-0.7 3,-0.2 -2,-0.2 0.913 109.4 50.6 -63.9 -40.8 26.4 58.1 94.3 71 85 A A H 3<5S+ 0 0 8 -4,-2.0 -2,-0.2 1,-0.2 -1,-0.2 0.901 116.5 41.7 -62.5 -39.7 28.7 61.2 94.5 72 86 A L H 3<5S- 0 0 3 -4,-2.6 -1,-0.2 2,-0.1 -2,-0.2 0.491 111.0-122.0 -82.7 -5.0 29.1 60.6 98.3 73 87 A G T <<5 + 0 0 58 -4,-0.7 -3,-0.2 -3,-0.7 -4,-0.1 0.764 69.6 132.2 65.0 29.7 29.5 56.8 97.8 74 88 A L < - 0 0 11 -5,-2.6 -1,-0.2 -6,-0.2 2,-0.2 -0.725 67.7 -93.7-109.1 156.1 26.5 56.3 100.1 75 89 A P > - 0 0 59 0, 0.0 3,-1.8 0, 0.0 4,-0.2 -0.523 35.5-128.3 -70.7 136.8 23.4 54.0 99.7 76 90 A A G > S+ 0 0 33 1,-0.3 3,-1.5 -2,-0.2 -7,-0.1 0.795 104.5 58.1 -58.0 -37.1 20.6 56.0 98.2 77 91 A D G 3 S+ 0 0 102 1,-0.3 -1,-0.3 -11,-0.0 -11,-0.0 0.572 101.3 58.4 -77.6 -4.4 18.0 55.1 100.7 78 92 A L G < S+ 0 0 27 -3,-1.8 176,-1.7 -13,-0.1 2,-0.4 0.395 94.2 80.9 -95.9 2.2 20.2 56.6 103.5 79 93 A V E < -C 253 0C 1 -3,-1.5 2,-0.3 174,-0.2 174,-0.2 -0.922 57.9-170.9-114.9 135.2 20.3 60.0 101.8 80 94 A V E -C 252 0C 4 172,-2.0 172,-2.0 -2,-0.4 2,-0.5 -0.929 10.9-148.2-123.2 140.9 17.5 62.6 102.1 81 95 A A E +C 251 0C 0 -22,-2.9 170,-0.2 -2,-0.3 2,-0.1 -0.963 22.9 169.1-117.3 130.3 17.3 65.9 100.1 82 96 A Q - 0 0 22 168,-3.1 168,-0.5 -2,-0.5 4,-0.1 -0.285 39.9 -60.8-121.7-159.5 15.8 69.0 101.6 83 97 A D S S- 0 0 27 166,-0.2 167,-2.4 2,-0.1 -1,-0.3 0.479 77.5 -61.1 -69.4-137.9 15.5 72.7 100.7 84 98 A G S S+ 0 0 7 165,-0.2 164,-0.6 162,-0.2 2,-0.4 0.225 106.4 61.8-107.0 17.2 18.5 75.0 100.4 85 99 A S > - 0 0 19 1,-0.1 4,-1.0 162,-0.1 3,-0.3 -0.918 45.6-168.9-142.8 113.8 20.4 75.2 103.7 86 100 A S H > S+ 0 0 12 -2,-0.4 4,-2.5 1,-0.2 5,-0.2 0.817 94.5 64.7 -69.2 -25.2 22.1 72.2 105.4 87 101 A L H > S+ 0 0 9 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.906 95.8 56.9 -57.2 -44.8 22.5 74.6 108.4 88 102 A N H > S+ 0 0 22 -3,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.860 110.3 45.2 -52.2 -42.8 18.7 74.6 108.6 89 103 A I H X S+ 0 0 5 -4,-1.0 4,-2.5 2,-0.2 -2,-0.2 0.890 109.8 51.7 -71.3 -42.3 18.8 70.8 109.0 90 104 A X H X S+ 0 0 2 -4,-2.5 4,-1.8 1,-0.2 -2,-0.2 0.884 111.9 49.7 -60.4 -39.4 21.7 70.8 111.5 91 105 A F H X S+ 0 0 0 -4,-2.8 4,-3.1 588,-0.3 -1,-0.2 0.882 111.4 47.7 -61.5 -44.0 19.6 73.3 113.6 92 106 A D H X S+ 0 0 2 -4,-1.6 4,-2.5 -5,-0.2 5,-0.3 0.879 108.1 55.8 -70.1 -36.1 16.5 71.1 113.3 93 107 A L H X S+ 0 0 0 -4,-2.5 4,-1.7 2,-0.2 -2,-0.2 0.931 115.9 37.0 -59.6 -48.1 18.5 68.0 114.3 94 108 A I H X S+ 0 0 0 -4,-1.8 4,-3.0 2,-0.2 5,-0.3 0.936 115.8 54.5 -67.6 -47.2 19.6 69.7 117.5 95 109 A S H X S+ 0 0 0 -4,-3.1 4,-2.2 1,-0.2 -2,-0.2 0.898 111.3 44.0 -54.6 -45.8 16.3 71.4 118.1 96 110 A W H X>S+ 0 0 2 -4,-2.5 4,-2.8 2,-0.2 5,-0.6 0.872 112.7 50.9 -75.5 -33.4 14.3 68.2 117.9 97 111 A S H X5S+ 0 0 0 -4,-1.7 12,-2.1 -5,-0.3 4,-1.2 0.897 113.9 46.9 -63.9 -37.8 16.8 66.3 120.1 98 112 A Y H <5S+ 0 0 43 -4,-3.0 12,-2.0 10,-0.2 -2,-0.2 0.882 120.1 38.5 -69.0 -38.6 16.5 69.2 122.6 99 113 A T H <5S+ 0 0 10 -4,-2.2 -2,-0.2 -5,-0.3 -3,-0.2 0.930 142.0 1.8 -79.3 -44.4 12.7 69.2 122.5 100 114 A W H <5S- 0 0 61 -4,-2.8 -3,-0.2 -5,-0.1 -2,-0.2 0.335 100.3-113.6-127.0 -2.8 11.9 65.5 122.2 101 115 A G << - 0 0 2 -4,-1.2 -3,-0.1 -5,-0.6 -1,-0.1 0.177 36.7 -88.7 68.6 152.0 15.2 63.7 122.4 102 116 A N > - 0 0 8 5,-0.2 3,-1.7 -5,-0.1 5,-0.1 -0.239 53.0 -80.3 -84.0 178.6 16.6 61.8 119.4 103 117 A N T 3 S+ 0 0 51 1,-0.3 -1,-0.0 -2,-0.1 155,-0.0 0.613 132.1 43.3 -59.8 -12.0 15.8 58.1 118.7 104 118 A D T 3 S+ 0 0 60 92,-0.1 -1,-0.3 127,-0.1 2,-0.1 0.426 91.5 108.7-110.8 -1.8 18.5 57.0 121.3 105 119 A S < - 0 0 24 -3,-1.7 4,-0.0 91,-0.1 89,-0.0 -0.460 56.2-155.7 -77.6 145.2 17.6 59.5 124.1 106 120 A S S S- 0 0 114 1,-0.3 -1,-0.1 -2,-0.1 -5,-0.0 0.571 85.9 -0.1 -86.2 -16.2 15.9 58.4 127.3 107 121 A R S S- 0 0 122 -10,-0.1 -1,-0.3 -5,-0.1 -5,-0.2 -0.953 95.0 -76.0-164.2 154.4 14.6 62.0 127.6 108 122 A P > - 0 0 39 0, 0.0 3,-1.9 0, 0.0 4,-0.2 -0.228 40.3-120.0 -55.3 147.3 14.8 65.3 125.7 109 123 A W G > S+ 0 0 1 -12,-2.1 3,-1.1 1,-0.3 -11,-0.2 0.699 111.3 71.1 -60.6 -20.7 18.1 67.2 126.0 110 124 A S G 3 S+ 0 0 42 -12,-2.0 -1,-0.3 -13,-0.3 -11,-0.1 0.669 90.2 61.0 -66.7 -19.0 16.1 70.1 127.5 111 125 A A G < S+ 0 0 39 -3,-1.9 -1,-0.2 -13,-0.2 -2,-0.2 0.562 84.2 99.4 -88.5 -7.7 15.6 68.0 130.6 112 126 A E S < S- 0 0 39 -3,-1.1 3,-0.2 -4,-0.2 49,-0.0 -0.493 74.3-134.4 -79.1 150.8 19.4 67.8 131.4 113 127 A E S S+ 0 0 62 1,-0.3 2,-0.3 -2,-0.1 825,-0.2 0.864 92.7 2.3 -62.0 -44.5 21.0 70.0 134.0 114 128 A K - 0 0 18 823,-0.1 2,-0.4 2,-0.0 -1,-0.3 -0.991 63.2-154.7-146.1 143.2 23.8 70.7 131.5 115 129 A V - 0 0 8 -2,-0.3 22,-2.5 20,-0.3 2,-0.4 -0.986 15.1-158.3-116.3 128.3 24.5 69.6 127.9 116 130 A K E -de 137 162C 38 45,-2.8 47,-2.6 -2,-0.4 48,-0.9 -0.830 6.2-167.4-106.6 147.3 28.1 69.6 126.8 117 131 A W E -de 138 164C 0 20,-2.1 22,-2.6 -2,-0.4 2,-0.4 -0.996 18.4-127.8-139.7 127.3 29.2 69.8 123.2 118 132 A L E -de 139 165C 0 46,-2.9 48,-2.1 -2,-0.4 22,-0.2 -0.626 21.0-170.2 -82.4 133.3 32.6 69.2 121.7 119 133 A C E -d 140 0C 0 20,-3.1 22,-2.4 -2,-0.4 48,-0.1 -0.851 12.4-151.1-127.8 89.0 34.1 71.9 119.4 120 134 A P E -d 141 0C 10 0, 0.0 23,-0.1 0, 0.0 20,-0.0 -0.407 41.2-109.6 -54.2 140.5 37.2 71.0 117.4 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167.4-119.3 102.8 -12.1 68.4 98.0 789 393 B P + 0 0 1 0, 0.0 -1,-0.1 0, 0.0 8,-0.1 0.636 52.4 88.4 -87.5 -12.3 -13.1 69.3 94.4 790 394 B S S S+ 0 0 0 -48,-0.5 -354,-0.4 1,-0.2 -357,-0.1 0.827 85.7 43.1 -59.3 -44.9 -9.9 70.9 93.0 791 395 B L S S+ 0 0 34 -359,-0.7 -354,-0.3 -3,-0.2 -353,-0.2 0.972 89.8 77.2 -77.1 -57.5 -7.9 67.9 91.6 792 396 B P S S- 0 0 3 0, 0.0 -356,-0.1 0, 0.0 2,-0.1 -0.159 85.3-110.2 -59.1 147.1 -10.1 65.5 89.7 793 397 B P >> - 0 0 72 0, 0.0 4,-2.3 0, 0.0 3,-0.8 -0.440 39.9-101.2 -67.2 156.8 -11.2 66.5 86.2 794 398 B V H 3> S+ 0 0 64 1,-0.3 4,-2.2 2,-0.2 5,-0.1 0.774 120.5 58.3 -54.7 -35.8 -14.9 67.3 86.1 795 399 B A H 3> S+ 0 0 71 2,-0.2 4,-1.0 1,-0.2 -1,-0.3 0.918 111.8 40.2 -59.8 -46.2 -15.9 63.9 84.6 796 400 B E H X> S+ 0 0 83 -3,-0.8 4,-3.0 1,-0.2 3,-0.7 0.937 111.5 58.8 -67.1 -46.2 -14.3 62.0 87.5 797 401 B L H 3X S+ 0 0 1 -4,-2.3 4,-3.5 1,-0.3 -2,-0.2 0.848 101.5 55.0 -47.5 -46.9 -15.7 64.5 90.0 798 402 B E H 3X S+ 0 0 67 -4,-2.2 4,-2.0 2,-0.2 -1,-0.3 0.870 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-1,-0.3 -3,-0.2 -2,-0.1 0.335 121.6 57.0 -97.4 8.3 26.5 108.5 152.4 1066 256 C I T <4 S- 0 0 0 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.1 0.818 125.4 -2.4-101.9 -49.8 25.9 111.9 150.7 1067 257 C T S < S- 0 0 1 -4,-3.3 2,-0.5 1,-0.1 -210,-0.2 0.498 124.6 -16.3-109.8-103.7 22.8 113.1 152.5 1068 258 C H > - 0 0 4 3,-0.1 3,-1.7 -211,-0.1 2,-0.6 -0.933 67.1-122.5-114.8 120.0 20.8 111.0 155.1 1069 259 C A T 3 S+ 0 0 0 221,-0.9 -5,-0.1 -2,-0.5 -4,-0.1 -0.439 98.0 8.5 -68.2 108.3 21.6 107.3 155.2 1070 260 C G T 3 S+ 0 0 9 -2,-0.6 -1,-0.3 -162,-0.4 -162,-0.2 0.118 124.2 64.4 112.1 -17.1 18.3 105.5 154.7 1071 261 C S S < S+ 0 0 2 -3,-1.7 -2,-0.2 219,-0.3 -162,-0.1 -0.029 84.2 96.4-118.7 26.0 16.2 108.6 153.7 1072 262 C G S S- 0 0 0 -164,-0.6 2,-0.4 -4,-0.2 -163,-0.1 0.082 76.8 -90.9 -95.6-152.7 18.1 109.5 150.5 1073 263 C V - 0 0 1 -165,-0.2 -10,-1.9 28,-0.1 2,-0.3 -0.987 29.2-149.0-130.6 140.9 17.4 108.7 146.9 1074 264 C S E - F 01062O 0 -167,-2.0 -168,-3.3 -168,-0.4 2,-0.4 -0.797 7.7-152.7-106.5 152.2 18.6 105.8 144.8 1075 265 C F E -AF 9051061O 1 -14,-2.7 -14,-1.7 -2,-0.3 2,-0.5 -0.968 8.6-167.7-128.1 138.6 19.4 105.6 141.1 1076 266 C F E -AF 9041060O 0 -172,-2.3 -172,-2.0 -2,-0.4 2,-0.4 -0.996 13.8-176.2-121.6 120.2 19.3 102.8 138.6 1077 267 C A E +AF 9031059O 3 -18,-3.0 -18,-2.7 -2,-0.5 2,-0.3 -0.953 18.7 129.2-117.3 142.4 21.0 103.5 135.2 1078 268 C S - 0 0 0 -176,-1.6 -20,-0.1 -2,-0.4 -23,-0.1 -0.959 58.9 -51.3-165.1 177.3 21.0 101.1 132.2 1079 269 C S > - 0 0 14 -22,-0.4 4,-1.8 -25,-0.3 5,-0.2 -0.290 59.1-109.0 -53.4 154.2 20.5 100.7 128.5 1080 270 C K H > S+ 0 0 137 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.922 121.3 55.5 -50.2 -51.1 17.0 101.9 127.4 1081 271 C E H > S+ 0 0 113 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 107.2 49.3 -51.0 -46.3 15.9 98.2 126.9 1082 272 C N H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.860 111.2 49.8 -63.9 -33.1 16.9 97.4 130.5 1083 273 C I H X S+ 0 0 10 -4,-1.8 4,-3.0 -3,-0.2 -2,-0.2 0.893 108.5 51.2 -73.3 -43.1 14.9 100.4 131.8 1084 274 C E H X S+ 0 0 108 -4,-2.6 4,-2.0 2,-0.2 -1,-0.2 0.887 112.7 47.3 -56.2 -42.6 11.8 99.6 129.8 1085 275 C W H X S+ 0 0 25 -4,-1.9 4,-1.2 -5,-0.2 -2,-0.2 0.938 112.3 48.4 -63.6 -50.7 12.0 96.0 131.3 1086 276 C Y H X S+ 0 0 6 -4,-2.4 4,-2.6 1,-0.2 3,-0.5 0.923 111.9 52.1 -52.9 -45.2 12.5 97.4 134.8 1087 277 C A H X S+ 0 0 19 -4,-3.0 4,-2.7 1,-0.2 -2,-0.2 0.840 98.8 61.7 -64.0 -39.4 9.5 99.7 134.2 1088 278 C S H < S+ 0 0 56 -4,-2.0 4,-0.2 2,-0.2 -1,-0.2 0.859 115.8 33.8 -58.1 -34.2 7.1 97.0 133.1 1089 279 C H H >X S+ 0 0 9 -4,-1.2 4,-2.2 -3,-0.5 3,-1.3 0.892 117.1 52.3 -83.0 -42.7 7.5 95.3 136.6 1090 280 C A H 3X S+ 0 0 7 -4,-2.6 4,-2.0 1,-0.3 -2,-0.2 0.842 103.8 61.0 -64.9 -30.3 7.9 98.5 138.6 1091 281 C N H 3< S+ 0 0 79 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.742 107.7 43.1 -61.6 -28.8 4.7 99.7 137.0 1092 282 C V H <4 S+ 0 0 9 -3,-1.3 -2,-0.2 -4,-0.2 -1,-0.2 0.848 111.4 55.0 -85.7 -38.8 2.9 96.8 138.5 1093 283 C R H < S- 0 0 23 -4,-2.2 235,-0.3 1,-0.1 2,-0.3 0.828 124.1 -28.9 -60.5 -38.0 4.6 97.2 142.0 1094 284 C G < - 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144.9 1104 294 C A H X S+ 0 0 3 -4,-2.6 4,-2.3 1,-0.2 -1,-0.2 0.921 110.9 48.0 -61.0 -43.3 14.2 118.3 148.3 1105 295 C H H X S+ 0 0 0 -4,-2.2 4,-2.5 2,-0.2 5,-0.4 0.900 111.0 51.7 -62.9 -38.5 17.4 116.6 147.2 1106 296 C A H X S+ 0 0 11 -4,-2.1 4,-2.1 1,-0.2 -2,-0.2 0.901 113.0 43.9 -67.4 -39.3 17.4 118.5 143.9 1107 297 C Q H < S+ 0 0 57 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.852 112.7 53.5 -70.8 -37.6 16.9 121.9 145.6 1108 298 C F H < S+ 0 0 42 -4,-2.3 -2,-0.2 -5,-0.2 -3,-0.2 0.963 118.2 33.3 -62.3 -55.9 19.5 121.1 148.2 1109 299 C F H < S- 0 0 10 -4,-2.5 2,-2.4 1,-0.2 -2,-0.2 0.881 83.8-174.9 -65.6 -42.8 22.3 120.3 145.8 1110 300 C G < - 0 0 51 -4,-2.1 2,-0.2 -5,-0.4 -1,-0.2 -0.375 62.0 -1.3 76.3 -61.8 21.0 122.8 143.2 1111 301 C D S > S- 0 0 93 -2,-2.4 4,-2.2 -3,-0.1 5,-0.1 -0.869 84.0 -88.5-144.3-177.8 23.6 121.8 140.6 1112 302 C V H > S+ 0 0 16 -2,-0.2 4,-3.1 1,-0.2 5,-0.3 0.928 126.4 54.2 -59.4 -41.8 26.5 119.4 140.0 1113 303 C A H > S+ 0 0 68 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.871 108.3 49.8 -58.3 -37.7 28.9 122.0 141.4 1114 304 C G H > S+ 0 0 25 2,-0.2 4,-1.5 -5,-0.2 -1,-0.2 0.882 111.8 48.3 -69.7 -39.5 26.7 122.1 144.6 1115 305 C L H X S+ 0 0 0 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.956 113.6 45.7 -63.0 -51.9 26.8 118.3 144.8 1116 306 C K H X S+ 0 0 81 -4,-3.1 4,-1.6 1,-0.2 -2,-0.2 0.816 108.8 56.1 -64.3 -34.6 30.6 118.1 144.3 1117 307 C A H X S+ 0 0 50 -4,-2.1 4,-1.0 -5,-0.3 -1,-0.2 0.908 108.6 48.6 -60.1 -39.0 31.2 121.0 146.8 1118 308 C H H X S+ 0 0 6 -4,-1.5 4,-1.6 2,-0.2 -2,-0.2 0.842 106.7 55.2 -71.9 -36.0 29.2 118.9 149.4 1119 309 C X H X S+ 0 0 5 -4,-1.8 4,-2.8 1,-0.2 -1,-0.2 0.860 104.5 55.1 -62.2 -37.2 31.3 115.7 148.7 1120 310 C L H X S+ 0 0 62 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.806 103.5 54.1 -69.4 -28.7 34.4 117.7 149.4 1121 311 C K H X S+ 0 0 107 -4,-1.0 4,-1.7 2,-0.2 -1,-0.2 0.845 108.9 49.1 -68.6 -36.8 32.9 118.6 152.8 1122 312 C H H X S+ 0 0 11 -4,-1.6 4,-2.5 2,-0.2 5,-0.2 0.949 109.0 52.4 -64.3 -45.3 32.5 114.9 153.4 1123 313 C A H X S+ 0 0 6 -4,-2.8 4,-3.2 1,-0.2 -2,-0.2 0.922 106.0 55.8 -53.5 -46.3 36.1 114.5 152.3 1124 314 C A H < S+ 0 0 72 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.875 111.5 41.7 -50.9 -49.4 37.1 117.1 154.8 1125 315 C S H < S+ 0 0 14 -4,-1.7 4,-0.4 -3,-0.2 -1,-0.2 0.863 121.5 40.7 -68.3 -38.1 35.5 115.2 157.7 1126 316 C L H >X S+ 0 0 6 -4,-2.5 4,-2.0 1,-0.2 3,-0.7 0.853 97.3 72.6 -85.1 -37.1 36.7 111.8 156.6 1127 317 C A H 3X S+ 0 0 35 -4,-3.2 4,-2.7 -5,-0.2 5,-0.2 0.827 96.3 49.1 -51.0 -43.2 40.3 112.4 155.4 1128 318 C P H 3> S+ 0 0 68 0, 0.0 4,-1.4 0, 0.0 -1,-0.2 0.824 111.1 52.6 -71.6 -27.1 41.9 112.9 158.9 1129 319 C K H <> S+ 0 0 12 -3,-0.7 4,-2.1 -4,-0.4 -2,-0.2 0.929 112.9 41.9 -68.2 -46.6 40.3 109.8 160.2 1130 320 C F H X S+ 0 0 3 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.931 113.3 54.2 -67.2 -43.8 41.6 107.6 157.3 1131 321 C E H X S+ 0 0 127 -4,-2.7 4,-1.4 -5,-0.2 -1,-0.2 0.852 108.4 51.2 -55.2 -37.4 45.0 109.3 157.5 1132 322 C R H >X S+ 0 0 68 -4,-1.4 4,-2.5 2,-0.2 3,-0.7 0.978 108.9 46.2 -69.2 -56.1 45.2 108.4 161.2 1133 323 C 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